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authorNorbert Preining <norbert@preining.info>2024-01-22 03:01:00 +0000
committerNorbert Preining <norbert@preining.info>2024-01-22 03:01:00 +0000
commit3bb554642b743cd7ca7aef2b3668604343bfe708 (patch)
tree1de1c87f5181a1d269c0f94e332181e000b1489d /graphics
parentb2fc73208c72c65ca8f9ce068898291b69322d32 (diff)
CTAN sync 202401220300
Diffstat (limited to 'graphics')
-rw-r--r--graphics/mcf2graph/CHANGELOG23
-rw-r--r--graphics/mcf2graph/README4
-rw-r--r--graphics/mcf2graph/main_lib.mcf642
-rw-r--r--graphics/mcf2graph/mcf2graph.mp38
-rw-r--r--graphics/mcf2graph/mcf_exa_soc.mp6
-rw-r--r--graphics/mcf2graph/mcf_example.pdfbin713529 -> 713389 bytes
-rw-r--r--graphics/mcf2graph/mcf_example.tex4
-rw-r--r--graphics/mcf2graph/mcf_manual.pdfbin317421 -> 317677 bytes
-rw-r--r--graphics/mcf2graph/mcf_manual.tex17
-rw-r--r--graphics/mcf2graph/template_lib.mcf14
-rw-r--r--graphics/mcf2graph/template_soc.mp6
11 files changed, 396 insertions, 358 deletions
diff --git a/graphics/mcf2graph/CHANGELOG b/graphics/mcf2graph/CHANGELOG
index cdf1257c44..946f88d8c0 100644
--- a/graphics/mcf2graph/CHANGELOG
+++ b/graphics/mcf2graph/CHANGELOG
@@ -1,6 +1,27 @@
*******************************************************************************
- Changelog of mcf2graph software package by Akira Yamaji 2024-01-03
+ Changelog of mcf2graph software package by Akira Yamaji 2024-01-21
*******************************************************************************
+[ver. 5.11 / 2024-01-21]
+ -change command name
+ !! => !db,!d
+ !!! => !tm,!t
+ -change group name
+ CCl2=> ?Cl!Cl
+ CCl3=> ?Cl?Cl!Cl
+ CF2 => ?F!F
+ CF3 => ?F?F!F
+ -add abbreviated form command
+ !wf,!w : !~wf
+ !zf,!z : !~zf
+ !db,!d : !~db
+ !wb : !~wb
+ !zb : !~zb
+ !dl : !~dl
+ !dr : !~dr
+ !dm : !~dm
+ -update main_lib.mcf,template_lib.mcf
+ -update MCF manual,example
+
[ver. 5.10 / 2024-01-03]
-add binary operator +
a + b : '(a,b)
diff --git a/graphics/mcf2graph/README b/graphics/mcf2graph/README
index c3f53d36c4..0e091cee0f 100644
--- a/graphics/mcf2graph/README
+++ b/graphics/mcf2graph/README
@@ -1,7 +1,7 @@
********************************************************************************
mcf2graph : Convert Molecular Coding Format to graphics with MetaPost
Author : Akira Yamaji
- version : 5.10 2024-01-03
+ version : 5.11 2024-01-21
E-mail : mcf2graph@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 5.10 Copyright (c) 2013-2024 Akira Yamaji
+ mcf2graph ver 5.11 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
diff --git a/graphics/mcf2graph/main_lib.mcf b/graphics/mcf2graph/main_lib.mcf
index 8b3694ffea..3e2bc95a91 100644
--- a/graphics/mcf2graph/main_lib.mcf
+++ b/graphics/mcf2graph/main_lib.mcf
@@ -1,7 +1,7 @@
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% molecular library file main_lib.mcf by Akira Yamaji 2024.01.03
+% molecular library file main_lib.mcf by Akira Yamaji 2024.01.21
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% must use version 5.10
+% must use version 5.11
% tag1:var1;tag2:var2;tag3:var3 .....
% first character of line "%" comment out
% first character of line ":" start MCF
@@ -34,22 +34,22 @@ CAT:biological;EN:Adenine;MW:135.13;EXA:1
%------------------------------------------------------------------------------
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:-
@@ -64,57 +64,57 @@ CAT:biological;EN:Glycine;MW:75.07;EXA:-
%------------------------------------------------------------------------------
CAT:biological;EN:L-Alanine;MW:89.10;EXA:-
:
-<30,NH2,!~wb,?!,COOH
+<30,NH2,!wb,?!,COOH
;
%------------------------------------------------------------------------------
CAT:biological;EN:L-Valine;MW:117.15;EXA:-
:
-<30,NH2,!~wb,/?!,!COOH
+<30,NH2,!wb,/?!,!COOH
;
%------------------------------------------------------------------------------
CAT:biological;EN:L-Leucine;MW:131.16;EXA:1
:
-<30,NH2,!~wb,/!?!,!COOH
+<30,NH2,!wb,/!?!,!COOH
;
%------------------------------------------------------------------------------
CAT:biological;EN:L-Isoleucine;MW:131.16;EXA:-
:
-<30,NH2,!~wb,/'(/*_,!2),!COOH
+<30,NH2,!wb,/?z+!2,!COOH
;
%------------------------------------------------------------------------------
CAT:biological;EN:L-Serine;MW:105.09;EXA:-
:
-<30,NH2,!~wb,/!OH,!COOH
+<30,NH2,!wb,/!OH,!COOH
;
%------------------------------------------------------------------------------
CAT:biological;EN:L-Threonine;MW:119.12;EXA:-
:
-<30,NH2,!~wb,/'(/_,!~wf,OH),!COOH
+<30,NH2,!wb,/?+!w+OH,!COOH
;
%------------------------------------------------------------------------------
CAT:biological;EN:L-Cysteine;MW:121.16;EXA:-
:
-<30,NH2,!~wb,/!SH,!COOH
+<30,NH2,!wb,/!SH,!COOH
;
%------------------------------------------------------------------------------
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:-
:
-<30,NH2,!~wb,/!Ph,!COOH
+<30,NH2,!wb,/!Ph,!COOH
;
%------------------------------------------------------------------------------
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:-
:
-<30,NH2,!~wb,!COOH,@2,\,!,<24,|,?5,2=dr,5=dl,2=Ph,4:NH
+<30,NH2,!wb,!COOH,@2,\,!,<24,|,?5,2=dr,5=dl,2=Ph,4:NH
;
%------------------------------------------------------------------------------
CAT:biological;EN:L-Proline;MW:115.13;EXA:-
@@ -124,52 +124,52 @@ CAT:biological;EN:L-Proline;MW:115.13;EXA:-
%------------------------------------------------------------------------------
CAT:biological;EN:L-Glutamine;MW:146.15;EXA:-
:
-<30,NH2,!~wb,!COOH,@2,\`1,!`1,!,?O!,NH2
+<30,NH2,!wb,!COOH,@2,\`1,!`1,!,?O!,NH2
;
%------------------------------------------------------------------------------
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:-
:
-<30,NH2,!~wb,/!COOH,!COOH
+<30,NH2,!wb,/!COOH,!COOH
;
%------------------------------------------------------------------------------
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:-
:
-<30,NH2,!~wb,!COOH,@2,\`1,!`1,!2,NH!,//NH,!NH2
+<30,NH2,!wb,!COOH,@2,\`1,!`1,!2,NH!,//NH,!NH2
;
%------------------------------------------------------------------------------
CAT:biological;EN:L-Hystidine;MW:155.16;EXA:-
:
-<30,NH2,!~wb,!COOH,@2,\,!,|,?5,{1,3}=dl,3:N,5:NH
+<30,NH2,!wb,!COOH,@2,\,!,|,?5,{1,3}=dl,3:N,5:NH
;
%==============================================================================
CAT:biological;EN:L-DOPA;MW:197.19;EXA:-
:
-<30,NH2,!~wb,!COOH,@2,\,!Ph,{-3,-4}:/OH
+<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:-
@@ -184,7 +184,7 @@ CAT:biological;EN:Citrate;MW:192.12;EXA:-
%------------------------------------------------------------------------------
CAT:biological;EN:cis-Aconitate;MW:174.11;EXA:-
:
-<30,COOH,!2,/COOH,!!,60,COOH
+<30,COOH,!2,/COOH,!d,60,COOH
;
%------------------------------------------------------------------------------
CAT:biological;EN:Isocitrate;MW:192.12;EXA:-
@@ -209,7 +209,7 @@ CAT:biological;EN:Succinate;MW:118.09;EXA:-
%------------------------------------------------------------------------------
CAT:biological;EN:Fumarate;MW:116.07;EXA:-
:
-<30,COOH,!,!!,!COOH
+<30,COOH,!,!d,!COOH
;
%------------------------------------------------------------------------------
CAT:biological;EN:Malate;MW:134.09;EXA:-
@@ -264,7 +264,7 @@ hexose_hp,#.5,{1^$-90,2^$90,3^$90,4^$-90}:/OH,6^$90:/!OH
%------------------------------------------------------------------------------
CAT:biological;EN:L-Fucose;MW:164.16;EXA:1
:
-hexose_hp,#.5,{1^$-90,,2^$-90,3^$90,4^$90}:/OH,6^$-90:/_
+hexose_hp,#.5,{1^$-90,2^$-90,3^$90,4^$90}:/OH,6^$-90:/_
;
%------------------------------------------------------------------------------
CAT:biological;EN:D-Ribose;MW:150.13;EXA:1
@@ -335,7 +335,7 @@ CAT:biological;EN:Geraniol;MW:154.25;EXA:1
%------------------------------------------------------------------------------
CAT:biological;EN:Limonene;MW:136.24;EXA:-
:
-<30,?6,2=dl,2:/_,5:*/?!!
+<30,?6,2=dl,2:/_,5:*/?!d
;
%------------------------------------------------------------------------------
CAT:biological;EN:l-Menthol;MW:156.27;EXA:1
@@ -345,7 +345,7 @@ CAT:biological;EN:l-Menthol;MW:156.27;EXA:1
%------------------------------------------------------------------------------
CAT:biological;EN:Allicin;MW:162.28;EXA:1
:
-<-30,!!,!2,S?O,!,S,!2,!!
+<-30,!d,!2,S?O,!,S,!2,!d
;
%------------------------------------------------------------------------------
CAT:biological;EN:Benzoic acid;MW:122.12;EXA:-
@@ -365,17 +365,17 @@ CAT:biological;EN:Salicylic acid;MW:138.12;EXA:-
%------------------------------------------------------------------------------
CAT:biological;EN:Cinnamic acid;MW:148.16;EXA:-
:
-<30,Ph,3:/!!+!COOH
+<30,Ph,3:/!d+!COOH
;
%------------------------------------------------------------------------------
CAT:biological;EN:Cinnamaldehyde;MW:132.16;EXA:-
:
-<30,Ph,3:/!!+!CHO
+<30,Ph,3:/!d+!CHO
;
%------------------------------------------------------------------------------
CAT:biological;EN:Caffeic acid;MW:180.16;EXA:1
:
-<30,Ph,{1,6}:/OH,3:/!!+!COOH
+<30,Ph,{1,6}:/OH,3:/!d+!COOH
;
%------------------------------------------------------------------------------
CAT:biological;EN:Vanillin;MW:152.15;EXA:1
@@ -411,7 +411,7 @@ CAT:biological;EN:Thiamine;MW:265.35;EXA:1
%------------------------------------------------------------------------------
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
;
%------------------------------------------------------------------------------
@@ -427,7 +427,7 @@ CAT:biological;EN:Nicotinamide;MW:122.12;EXA:1
%------------------------------------------------------------------------------
CAT:biological;EN:Pantothenic acid;MW:219.23;EXA:1
:
-<30,OH,!8,COOH,3:??,4^35:/*H,4^-20:*/OH,5://O,6:NH
+<30,OH,!8,COOH,3:??,4^35:/*H,4^-20:*/OH,5:?O,6:NH
;
%------------------------------------------------------------------------------
CAT:biological;EN:Pyridoxine;MW:169.18;EXA:1
@@ -437,13 +437,13 @@ CAT:biological;EN:Pyridoxine;MW:169.18;EXA:1
%------------------------------------------------------------------------------
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,
- @9,\,!NH!,Ph,@-3,\,//O,!NH!,/*COOH,!3,COOH
+<30,?6,3=Ph2,1=dl,{2,7,10}:N,6:NH,5:?O,1:/NH2,
+ @9,\,!NH!,Ph,@-3,\,?O,!NH!,/*COOH,!3,COOH
;
%------------------------------------------------------------------------------
CAT:biological;EN:Carotene;MW:536.8726;EXA:1
@@ -459,7 +459,7 @@ CAT:biological;EN:Adrenalin;MW:183.21;EXA:1
%------------------------------------------------------------------------------
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
@@ -469,13 +469,13 @@ CAT:biological;EN:Nicotine;MW:162.23;EXA:1
%------------------------------------------------------------------------------
CAT:biological;EN:Capsaicin;MW:305.418;EXA:1
:
-<30,Ph,1:/OH,6:/O!,@4,\,!NH!,//O,!7,?!,-3=dl
+<30,Ph,1:/OH,6:/O!,@4,\,!NH!,?O,!7,?!,-3=dl
;
%------------------------------------------------------------------------------
CAT:biological;EN:Gibberellin A3;MW:346.379;EXA:1
:
<18,?5,3=?7,5=?6[12],@8,160`1.3,&3,13=dl,6=wf,8=wb,
- @5,40~zf`1,O,50,//O^180,&14~zb,2:/COOH,7://_,{13,8'}:*/OH,14:*/_,{1,4}:*/H^60
+ @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
@@ -486,17 +486,17 @@ CAT:biological;EN:Cholesterol;MW:386.664;EXA:1
%------------------------------------------------------------------------------
CAT:biological;EN:Resveratrol;MW:228.24;EXA:1
:
-<30,Ph,@4,\,!!,!Ph,{2,6,-3}:/OH
+<30,Ph,@4,\,!d,!Ph,{2,6,-3}:/OH
;
%------------------------------------------------------------------------------
CAT:biological;EN:Glutathione;MW:307.33;EXA:1
:
-<-30,COOH,!,/*NH2,!3,//O,!NH!,*/!SH,!,?O!,NH,!2,COOH
+<-30,COOH,!,/*NH2,!3,?O,!NH!,*/!SH,!,?O!,NH,!2,COOH
;
%------------------------------------------------------------------------------
CAT:biological;EN:Trenbolone;MW:270.37;EXA:1
:
-<30,?6,{3,10}=?6,13=?5,{2,11,15}=dl,1://O,12:*/_^60,-1:/*OH,{9^60,11'^-60}:*/H
+<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
@@ -508,34 +508,34 @@ CAT:biological;EN:Chlorophyll a;MW:893.509;EXA:1
:
<-36,#1,?5,@3,\,54,?5,@-2,\,54,?5,@-2,\,54,?5,@-2,\,&5,@6,22,70,&8,##,
{4,6,8,10,14,16,18,21,23,27}=dl,@4,\`1.48~vf,Mg,&17~vb,@11,&27,@27,&23,
- {4,11,17,23}:N,{1~zf,9,15,21}:/_,14:/!,20:/!!,25:/*?O!+O!,26://O,
- @2,*\^-6,!2,?O!,O!2,!!,|,!13,{1,5,9,13}:/_
+ {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,@-2,\\,?5,-3=Ph2,{7,14}:NH,{9,11}://O
+<30,Ph,3=?5,@-2,\\,?5,-3=Ph2,{7,14}:NH,{9,11}:?O
;
%------------------------------------------------------------------------------
CAT:biological;EN:6,6'-dibromoindigo;MW:420.0549;EXA:1
:
-<30,Ph,3=?5,@-2,\\,?5,-3=Ph2,{7,14}:NH,{9,11}://O,{1,-2}:/Br
+<30,Ph,3=?5,@-2,\\,?5,-3=Ph2,{7,14}:NH,{9,11}:?O,{1,-2}:/Br
;
%------------------------------------------------------------------------------
CAT:biological;EN:Carminic Acid;MW:492.39;EXA:1
:
-<30,Ph,3=?6,-3=Ph2,{7,10}://O,{2,5,6,13}:/OH,11:/_,12:/COOH,
+<30,Ph,3=?6,-3=Ph2,{7,10}:?O,{2,5,6,13}:/OH,11:/_,12:/COOH,
@1,\~wb`1,?6,-5:O,{-1,-2',-3}:/*OH,-4:*/!OH
;
%------------------------------------------------------------------------------
CAT:biological;EN:Curcumin;MW:368.38;EXA:1
:
-<30,Ph,@3,\,!7,Ph,{8,13}=dr,{9,11}://O,{6,-3}:/OH,{5,-4}:/O!
+<30,Ph,@3,\,!7,Ph,{8,13}=dr,{9,11}:?O,{6,-3}:/OH,{5,-4}:/O!
;
%------------------------------------------------------------------------------
CAT:biological;EN:Berberine;MW:336.36;EXA:1
@@ -545,32 +545,32 @@ CAT:biological;EN:Berberine;MW:336.36;EXA:1
%==============================================================================
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
:
-<30,Ph,3=?6,9=dl,10:O,7://O,9:/Ph,
+<30,Ph,3=?6,9=dl,10:O,7:?O,9:/Ph,
;
%------------------------------------------------------------------------------
CAT:biological;EN:Isoflavone;MW:222.24;EXA:-
:
-<30,Ph,3=?6,9=dl,10:O,7://O,8:/Ph,
+<30,Ph,3=?6,9=dl,10:O,7:?O,8:/Ph,
;
%------------------------------------------------------------------------------
CAT:biological;EN:Flavanone;MW:224.25;EXA:-
:
-<30,Ph,3=?6,10:O,7://O,9:/Ph,
+<30,Ph,3=?6,10:O,7:?O,9:/Ph,
;
%------------------------------------------------------------------------------
CAT:biological;EN:Flavonol;MW:238.24;EXA:1
:
-<30,Ph,3=?6,9=dl,10:O,7://O,8:/OH,9:/Ph,
+<30,Ph,3=?6,9=dl,10:O,7:?O,8:/OH,9:/Ph,
;
%------------------------------------------------------------------------------
CAT:biological;EN:Cianidanol;MW:290.27;EXA:1
@@ -580,53 +580,53 @@ CAT:biological;EN:Cianidanol;MW:290.27;EXA:1
%------------------------------------------------------------------------------
CAT:biological;EN:Quercetin;MW:302.24;EXA:1
:
-<30,Ph,3=?6,@9,\,Ph,9=dl,10:O,7://O,{2,6,8,13,14}:/OH
+<30,Ph,3=?6,@9,\,Ph,9=dl,10:O,7:?O,{2,6,8,13,14}:/OH
;
%==============================================================================
CAT:biological;EN:Limonin;MW:470.518;EXA:1
:
<30,?6,{-3,-4}=?6,-5=?3,-2=wf,-1=wb,6=?5,-4=?6,-5=wf,{13,15,17,20}:O,
- {3,12,21}://O,{4^60,8'^60}:*/_,18:??,{1^60,5^180,16^60}:/*H,
+ {3,12,21}:?O,{4^60,8'^60}:*/_,18:??,{1^60,5^180,16^60}:/*H,
@14,\*,|,?5,{1,4}=dl,3:O
;
%------------------------------------------------------------------------------
CAT:biological;EN:Cromolyn;MW:468.37;EXA:1
:
-<30,Ph,|,-1=?6,3=dl,1:O,4://O,2:/COOH,
- @$2,\,O!2,/OH,!2,O,60,Ph,|,-5=?6,3=dl,4:O,1://O,3:/COOH
+<30,Ph,|,-1=?6,3=dl,1:O,4:?O,2:/COOH,
+ @$2,\,O!2,/OH,!2,O,60,Ph,|,-5=?6,3=dl,4:O,1:?O,3:/COOH
;
%------------------------------------------------------------------------------
CAT:biological;EN:Emetine;MW:480.649;EXA:1
:
<30,Ph,{-4,-4}=?6,8:N,{1,6}:/O!,-2:/*!,{7^-60,12^-60}:/*H,
- @-3,\,!~zb,<-60,|,?6,5=dl,2:NH,-6^-60:*/H,|,-2=?6,{2,4}=dl,{-2,-3}:/O!
+ @-3,\,!zb,<-60,|,?6,5=dl,2:NH,-6^-60:*/H,|,-2=?6,{2,4}=dl,{-2,-3}:/O!
;
%------------------------------------------------------------------------------
CAT:biological;EN:Acronycine;MW:321.376;EXA:1
:
-<30,Ph,|,-4=?6,1:N?,4://O,-3=Ph2,-1:/O!,|,-4=?6,2=dl,4:O,3:??
+<30,Ph,|,-4=?6,1:N?,4:?O,-3=Ph2,-1:/O!,|,-4=?6,2=dl,4:O,3:??
;
%------------------------------------------------------------------------------
CAT:biological;EN:Piperine;MW:285.343;EXA:1
:
-<30,Ph,-1=?5,{-1,-3}:O,@4,\,!!,!,!!,!,?O!,?6,-6:N
+<30,Ph,-1=?5,{-1,-3}:O,@4,\,!d,!,!d,!,?O!,?6,-6:N
;
%------------------------------------------------------------------------------
CAT:biological;EN:Febrifugine;MW:301.34;EXA:1
:
-<30,Ph,3=?6,@9,8=dl,\,!2,!~zb,?6,{7,9}:N,-5:NH,{10,12}://O,-1:*/OH
+<30,Ph,3=?6,@9,8=dl,\,!2,!zb,?6,{7,9}:N,-5:NH,{10,12}:?O,-1:*/OH
;
%------------------------------------------------------------------------------
CAT:biological;EN:Hypericin;MW:504.44;EXA:1
:
<30,Ph,{-4,-3,11--4,16---17,19,23---24,22--29}=?6,
{12,14,16,17,22',24,26,28,33,35}=dl,
- {7,25}://O,{13,26}:/_,{2,6,11,21,23,28}:/OH
+ {7,25}:?O,{13,26}:/_,{2,6,11,21,23,28}:/OH
;
%------------------------------------------------------------------------------
CAT:biological;EN:Camphor;MW:152.23;EXA:1
:
-#1,15,-30,90,90,30,##,&1,@2,0~si_`1.6,&5,{-1^45,-1^-65,5^-45}:/_,4://O
+#1,15,-30,90,90,30,##,&1,@2,0~si_`1.6,&5,{-1^45,-1^-65,5^-45}:/_,4:?O
;
%------------------------------------------------------------------------------
CAT:biological;EN:Sparteine;MW:234.3803;EXA:1
@@ -636,47 +636,47 @@ CAT:biological;EN:Sparteine;MW:234.3803;EXA:1
%------------------------------------------------------------------------------
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,
+<0,?5,{2,5}:O,-3=Ph2,-3=?6,-3=?5,-2:O,-1=wb,-3:?O,
@10,\*,Ph,{-2,-3,-4}:/O!,13:/*OH,{11^-60,12'^60}:*/H
;
%------------------------------------------------------------------------------
CAT:biological;EN:Warfarin;MW:308.333;EXA:1
:
-<30,Ph,3=?6,8=dl,10:O,7:/OH,9://O,@8,\,/Ph`1,60,!,?O!
+<30,Ph,3=?6,8=dl,10:O,7:/OH,9:?O,@8,\,/Ph`1,60,!,?O!
;
%------------------------------------------------------------------------------
CAT:biological;EN:Genistein;MW:270.24;EXA:1
:
-<30,Ph,3=?6,9=dl,10:O,{2,6}:/OH,7://O,8:/Ph+(-3:/OH)
+<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,-4=?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
+<54,Ph,3=?5,{-2,-4,-3}=?6,9=dl,11:N,7:NH,{10'^-60,15^-60,16^60}:/*H,
+ @20,*\,O!,?O,!Ph,{-2,-3,-4,1,19~zf>rl}:/O!,18:*/?O!+O!>lr
;
%------------------------------------------------------------------------------
CAT:biological;EN:Rotenone;MW:394.423;EXA:1
:
<-60,?5,{-3,-2,-3,-4}=?6,{3',7,9,17',-2,-4}=dl,
- {2,13,16}:O,10://O,{11^-60,12^60}:*/H,{-2,-3}:/O!,1:*/?!!
+ {2,13,16}:O,10:?O,{11^-60,12^60}:*/H,{-2,-3}:/O!,1:*/?!d
;
%------------------------------------------------------------------------------
CAT:biological;EN:Pyrethrin I;MW:328.452;EXA:1
:
-<30,?3,{3^35,3'^-35}:*/_,@1,*\,!!,?!,
- @2,\*,?O!,O,-36~zb,|,?5,-2=dl,-1:/_,-3://O,@-2,\,!4,{-1,-3}=dl
+<30,?3,{3^35,3'^-35}:*/_,@1,*\,!d,?!,
+ @2,\*,?O!,O,-36~zb,|,?5,-2=dl,-1:/_,-3:?O,@-2,\,!4,{-1,-3}=dl
;
%------------------------------------------------------------------------------
CAT:biological;EN:Oseltamivir;MW:312.40;EXA:1
@@ -687,20 +687,21 @@ CAT:biological;EN:Oseltamivir;MW:312.40;EXA:1
CAT:biological;EN:Paclitaxel;MW:853.918;EXA:1
:
?6,5=dl,@3,#1,36,45,45,45,45,##,&5,-4=?6,-4=?4,-1=wb,-3=wf,-1:O,
- 4:??,6:/_,{3^-60,15}:*/OH,8:/*H^-60,9:*/_^60,10://O,
- @1,\,O!,?O!,*/OH,!,/Ph,60~wf,NH,-60,//O,60,Ph,
- @7,\*,O,-45,//O,60,Ph,{11>rl,12'^-15>lr}:*/O!+?O!
+ 4:??,6:/_,{3^-60,15}:*/OH,8:/*H^-60,9:*/_^60,10:?O,
+ @1,\,O!,?O!,*/OH,!,/Ph,60~wf,NH,-60,?O,60,Ph,
+ @7,\*,O,-45,?O,60,Ph,{11>rl,12'^-15>lr}:*/O!+?O!
;
%------------------------------------------------------------------------------
CAT:biological;EN:Mevastatin;MW:390.52;EXA:1
:
<30,?6,2=dl,4:*/H^60,-4=?6,-4=dl,9:*/_,
- @10,*\,!,60~wb,?6,6:O,-2://O,-4:/*OH,@5,\*,O,60,?O!,*/_,!2
+ @10,*\,!,60~wb,?6,6:O,-2:?O,-4:/*OH,@5,\*,O,60,?O!,*/_,!2
;
%------------------------------------------------------------------------------
CAT:biological;EN:Sesamine;MW:354.35;EXA:1
:
-<54,?5,1=?5,{4,7}:O,{1^-54,2^54}:*/H,{5,8}:*/'(Ph,4=?5,7:O,9:O)^-12
+<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
@@ -712,7 +713,7 @@ CAT:biological;EN:Morphine;MW:285.343;EXA:1
CAT:biological;EN:Quinine;MW:324.424;EXA:1
:
<30,Ph,3=Ph,7:N,6:/O!,
- @10,\,*/OH,/*H^-60,!,|,?6,2:N,1:*/H^60,@4,*\,!!,@2,165~zf,60,&5~zb
+ @10,\,*/OH,/*H^-60,!,|,?6,2:N,1:*/H^60,@4,*\,!d,@2,165~zf,60,&5~zb
;
%------------------------------------------------------------------------------
CAT:biological;EN:Atoropin;MW:289.375;EXA:1
@@ -722,7 +723,7 @@ CAT:biological;EN:Atoropin;MW:289.375;EXA:1
%------------------------------------------------------------------------------
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
@@ -733,12 +734,12 @@ CAT:biological;EN:Lycorine;MW:287.315;EXA:1
%------------------------------------------------------------------------------
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:/_,
+<30,?6,3=?5,6:**?3,{4,7}=dl,2:?O,5:/_,
{1^35,8^35}:*/_,{1'^-35,9}:*/OH,8:/*!OH^-35
;
%------------------------------------------------------------------------------
@@ -749,7 +750,7 @@ CAT:biological;EN:Muscarine;MW:174.26;EXA:1
%------------------------------------------------------------------------------
CAT:biological;EN:Psilocybin;MW:284.248;EXA:1
:
-<30,Ph,3=?5,8=dl,9:NH,@2,\,O,-60,P,//O^-45,/OH^45,90,OH,7:/!2+N?!>lr
+<30,Ph,3=?5,8=dl,9:NH,@2,\,O,-60,P,?O^-45,/OH^45,90,OH,7:/!2+N?!>lr
;
%------------------------------------------------------------------------------
CAT:biological;EN:Tetrodotoxine;MW:319.27;EXA:1
@@ -762,64 +763,64 @@ CAT:biological;EN:Tetrodotoxine;MW:319.27;EXA:1
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
+ 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
+ 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
+ 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
+ 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
+ 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
+ 2:/O!,{8,11}:?O,15^-54:*/H,16^54:*/OH
;
%------------------------------------------------------------------------------
CAT:biological;EN:Ochratoxin A;MW:403.813;EXA:1
:
<30,Ph,@4,\,!,/*COOH,!`1.2,NH,!`1.2,?O!,
- Ph,-2:/Cl,-5:/OH,-4=?6,-3:O,-2:*/_,-4://O
+ Ph,-2:/Cl,-5:/OH,-4=?6,-3:O,-2:*/_,-4:?O
;
%------------------------------------------------------------------------------
CAT:biological;EN:Deoxynivalenol;MW:296.32;EXA:1
:
-<30,?6,3=?6,5=dl,1://O,6:/_,-1:O,{4'^60,-2}:*/H,7^30:*/_,@7,72`.9,80`1.3,&9,
+<30,?6,3=?6,5=dl,1:?O,6:/_,-1:O,{4'^60,-2}:*/H,7^30:*/_,@7,72`.9,80`1.3,&9,
@8,?3,-3=wf_,-1=si_,-1:O,{2,12^18}:/*OH,3:/*!OH^-60`1
;
%------------------------------------------------------------------------------
CAT:biological;EN:Patulin;MW:154.12;EXA:1
:
-<30,?6,3=?5,{2,10}=dl,{6,7}:O,5:/OH,8://O
+<30,?6,3=?5,{2,10}=dl,{6,7}:O,5:/OH,8:?O
;
%------------------------------------------------------------------------------
CAT:biological;EN:Citrinin;MW:250.247;EXA:1
:
-<30,?6,3=?6,{2,5,11}=dl,9:O,1://O,2:/_,{7,8'}:*/_,5:/OH,6:/COOH
+<30,?6,3=?6,{2,5,11}=dl,9:O,1:?O,2:/_,{7,8'}:*/_,5:/OH,6:/COOH
;
%------------------------------------------------------------------------------
CAT:biological;EN:Zearalenone;MW:318.364;EXA:1
:
-<30,Ph,@3,#1,\,!5,60,60,!4,&4,##,{1,5,8}=dl,17:O,16:*/_,{1,5}:/OH,{12,18}://O
+<30,Ph,@3,#1,\,!5,60,60,!4,&4,##,{1,5,8}=dl,17:O,16:*/_,{1,5}:/OH,{12,18}:?O
;
%------------------------------------------------------------------------------
CAT:biological;EN:Fumonisin B1;MW:721.83;EXA:1
@@ -934,33 +935,33 @@ CAT:synthetic;EN:Melamine;MW:126.12;EXA:1
%==============================================================================
CAT:synthetic;EN:Tartrazine;MW:534.3;EXA:1
:
-<30,Ph,1:/SO3Na,@4,\,N,!!,N,!,<-12,?5,{-2,-5}=dl,{-2,-3}:N,-1:/COONa,-4:/OH,
+<30,Ph,1:/SO3Na,@4,\,N,!d,N,!,<-12,?5,{-2,-5}=dl,{-2,-3}:N,-1:/COONa,-4:/OH,
-3:/Ph+(4:/SO3Na)
;
%------------------------------------------------------------------------------
CAT:synthetic;EN:Disperse yellow 3;MW:269.30;EXA:1
:
-<30,Ph,2:/_,5:/OH,@4,\,N,!!,N,!Ph,-3:/NH!+?O!
+<30,Ph,2:/_,5:/OH,@4,\,N,!d,N,!Ph,-3:/NH!+?O!
;
%------------------------------------------------------------------------------
CAT:synthetic;EN:Disperse orenge 30;MW:450.27;EXA:1
:
-<30,Ph,1:/NO2,{3,5}:/Cl,@4,\,N,!!,N,!Ph,@-3,\,N,/!2+CN,!2,O!,//O,!O!
+<30,Ph,1:/NO2,{3,5}:/Cl,@4,\,N,!d,N,!Ph,@-3,\,N,/!2+CN,!2,O!,?O,!O!
;
%------------------------------------------------------------------------------
CAT:synthetic;EN:Disperse red 65;MW:371.82;EXA:1
:
-<30,Ph,1:/NO2,3:/Cl,@4,\,N,!!,N,!Ph,-1:/_,@-3,\,N,/!2+CN,!2
+<30,Ph,1:/NO2,3:/Cl,@4,\,N,!d,N,!Ph,-1:/_,@-3,\,N,/!2+CN,!2
;
%------------------------------------------------------------------------------
CAT:synthetic;EN:Erythrosine;MW:835.9;EXA:1
:
-<30,Ph,{3,9}=?6,{8,13,16}=dl,10:O,-2://O,{1,5,12,14}:/I,@7,\,Ph,-1:/COOH,6:/OH
+<30,Ph,{3,9}=?6,{8,13,16}=dl,10:O,-2:?O,{1,5,12,14}:/I,@7,\,Ph,-1:/COOH,6:/OH
;
%------------------------------------------------------------------------------
CAT:synthetic;EN:Sudan red 1;MW:248.28;EXA:1
:
-<30,Ph,1=Ph,4:/OH,@3,\,N,!!,N,!Ph
+<30,Ph,1=Ph,4:/OH,@3,\,N,!d,N,!Ph
;
%------------------------------------------------------------------------------
CAT:synthetic;EN:Basic blue 1;MW:319.86;EXA:1
@@ -970,128 +971,128 @@ CAT:synthetic;EN:Basic blue 1;MW:319.86;EXA:1
%------------------------------------------------------------------------------
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,@8,\\,?5,-3=dr,-3=Ph,{7,14}:NH,{9,11}://O
+<30,Ph,3=?5,@8,\\,?5,-3=dr,-3=Ph,{7,14}:NH,{9,11}:?O
;
%==============================================================================
CAT:antibiotics;EN:Amoxicillin;MW:365.4042;EXA:1
:
-<45,?4,-3=?5,2:N,7:S,3^45:/*H,1://O^15,5:/*COOH^-18,6:??,
+<45,?4,-3=?5,2:N,7:S,3^45:/*H,1:?O^15,5:/*COOH^-18,6:??,
@4,*\^15,NH!,?O!,*/NH2,!Ph,-3:/OH
;
%------------------------------------------------------------------------------
CAT:antibiotics;EN:Ampicillin;MW:349.405;EXA:1
:
-<45,?4,-3=?5,2:N,7:S,3^45:/*H,1://O^15,5:/*COOH^-18,6:??,
+<45,?4,-3=?5,2:N,7:S,3^45:/*H,1:?O^15,5:/*COOH^-18,6:??,
@4,*\^15,NH!,?O!,/*NH2,!Ph
;
%------------------------------------------------------------------------------
CAT:antibiotics;EN:Penicillin G;MW:334.4;EXA:1
:
-<45,?4,-3=?5,2:N,7:S,3^45:/*H,1://O^15,5:/*COOH^-18,6:??,
+<45,?4,-3=?5,2:N,7:S,3^45:/*H,1:?O^15,5:/*COOH^-18,6:??,
@4,*\^15,NH!,?O!2,Ph
;
%------------------------------------------------------------------------------
CAT:antibiotics;EN:Penicillin V;MW:350.3895;EXA:1
:
-<45,?4,-3=?5,2:N,7:S,3^45:/*H,1://O^15,5:/*COOH^-18,6:??,
+<45,?4,-3=?5,2:N,7:S,3^45:/*H,1:?O^15,5:/*COOH^-18,6:??,
@4,*\^15,NH!,?O!2,O,!Ph
;
%------------------------------------------------------------------------------
CAT:antibiotics;EN:Mecillinam;MW:325.4264;EXA:1
:
-<45,?4,-3=?5,2:N,7:S,3^45:/*H,1://O^15,5:/*COOH^-18,6:??,
- @4,*\^15,N,!!,!,?7,-7:N
+<45,?4,-3=?5,2:N,7:S,3^45:/*H,1:?O^15,5:/*COOH^-18,6:??,
+ @4,*\^15,N,!d,!,?7,-7:N
;
%------------------------------------------------------------------------------
CAT:antibiotics;EN:Nafcillin;MW:414.4748;EXA:1
:
-<45,?4,-3=?5,2:N,7:S,3^45:/*H,1://O^15,5:/*COOH^-18,6:??,
- @4,*\^15,NH!,//O,!Ph,-2=Ph,-9:/O!2
+<45,?4,-3=?5,2:N,7:S,3^45:/*H,1:?O^15,5:/*COOH^-18,6:??,
+ @4,*\^15,NH!,?O,!Ph,-2=Ph,-9:/O!2
;
%------------------------------------------------------------------------------
CAT:antibiotics;EN:Oxacillin;MW:401.4363;EXA:1
:
-<45,?4,-3=?5,2:N,7:S,3^45:/*H,1://O^15,5:/*COOH^-18,6:??,
+<45,?4,-3=?5,2:N,7:S,3^45:/*H,1:?O^15,5:/*COOH^-18,6:??,
@4,*\^15,NH!,?O!,<-24,?5,{-2,-5}=dl,-2:N,-3:O,-4:/_,@-1,-24,Ph
;
%------------------------------------------------------------------------------
CAT:antibiotics;EN:Cloxacillin;MW:435.8813;EXA:1
:
-<45,?4,-3=?5,2:N,7:S,3^45:/*H,1://O^15,5:/*COOH^-18,6:??,
+<45,?4,-3=?5,2:N,7:S,3^45:/*H,1:?O^15,5:/*COOH^-18,6:??,
@4,*\^15,NH!,?O!,<-24,?5,{-2,-5}=dl,-2:N,-3:O,-4:/_,@-1,-24,Ph,-5:/Cl
;
%------------------------------------------------------------------------------
CAT:antibiotics;EN:Dicloxacillin;MW:470.3264;EXA:1
:
-<45,?4,-3=?5,2:N,7:S,3^45:/*H,1://O^15,5:/*COOH^-18,6:??,
+<45,?4,-3=?5,2:N,7:S,3^45:/*H,1:?O^15,5:/*COOH^-18,6:??,
@4,*\^15,NH!,?O!,<-24,?5,{-2,-5}=dl,-2:N,-3:O,-4:/_,-1:/Ph+({2,6}:/Cl)^-24
;
%------------------------------------------------------------------------------
CAT:antibiotics;EN:Cefalexin;MW:347.3889;EXA:1
:
-<45,?4,-3=?6,-4=dl,2:N,8:S,3^45:/*H,1://O^15,5:/*COOH,6:/_,
+<45,?4,-3=?6,-4=dl,2:N,8:S,3^45:/*H,1:?O^15,5:/*COOH,6:/_,
@4,*\^15,NH!,?O!,*/NH2,!Ph
;
%------------------------------------------------------------------------------
CAT:antibiotics;EN:Cefalonium;MW:458.5107;EXA:1
:
-<45,?4,-3=?6,-4=dl,2:N,8:S,3^45:/*H,1://O^15,@5,\*,?O!,O,n_^40,
+<45,?4,-3=?6,-4=dl,2:N,8:S,3^45:/*H,1:?O^15,@5,\*,?O!,O,n_^40,
@4,*\^15,NH!,?O!2,?5,{-1,-3}=dl,-4:S,
@6,\,!,|,Ph,1:N,1:p_^180,4:/?O!+NH2
;
%------------------------------------------------------------------------------
CAT:antibiotics;EN:Cefazorin;MW:454.51;EXA:1
:
-<45,?4,-3=?6,-4=dl,2:N,8:S,3^45:/*H,1://O^15,5:/*COOH,
+<45,?4,-3=?6,-4=dl,2:N,8:S,3^45:/*H,1:?O^15,5:/*COOH,
@4,*\^15,NH!,?O!2,?5,{-2,-4}=dl,{-1,-2,-3,-5}:N,
@6,\,!,S,!,?5,{-3,-5}=dl,-1:S,-2:/_,{-3,-4}:N
;
%------------------------------------------------------------------------------
CAT:antibiotics;EN:Cefoperazone;MW:645.67;EXA:1
:
-<45,?4,-3=?6,-4=dl,2:N,8:S,3^45:/*H,1://O^15,5:/*COOH,
- @4,*\^15,NH!,?O!,/*Ph+(4:/OH),!NH!,?O!,?6,{-3,-6}:N,{-4,-5}://O,-3:/!,
+<45,?4,-3=?6,-4=dl,2:N,8:S,3^45:/*H,1:?O^15,5:/*COOH,
+ @4,*\^15,NH!,?O!,/*Ph+(4:/OH),!NH!,?O!,?6,{-3,-6}:N,{-4,-5}:?O,-3:/!,
@6,\,!,S,!,?5,{-3,-5}=dl,-1:/_,{-1,-2,-3,-4}:N,
;
%------------------------------------------------------------------------------
CAT:antibiotics;EN:Cefquinome;MW:528.6;EXA:1
:
-<45,?4,-3=?6,-4=dl,2:N,8:S,3^45:/*H,1://O^15,@5,\*,?O!,O,n_^40,
+<45,?4,-3=?6,-4=dl,2:N,8:S,3^45:/*H,1:?O^15,@5,\*,?O!,O,n_^40,
@4,*\^15,NH!,?O!,//N!+O!,!,?5,{-2,-5}=dl,-3:S,-1:N,-2:/NH2,
@6,\,!Ph,-2=?6,-10:N,-10:p_^180
;
%------------------------------------------------------------------------------
CAT:antibiotics;EN:Ceftiofur;MW:523.5626;EXA:1
:
-<45,?4,-3=?6,-4=dl,2:N,8:S,3^45:/*H,1://O^15,5:/*COOH,
+<45,?4,-3=?6,-4=dl,2:N,8:S,3^45:/*H,1:?O^15,5:/*COOH,
@4,*\^15,NH!,?O!,//N!+O!,!,?5,{-2,-5}=dl,-3:S,-1:N,-2:/NH2,
@6,\,!,S,!,?O!,?5,{-1,-3}=dl,-4:O
;
%------------------------------------------------------------------------------
CAT:antibiotics;EN:Cefuroxime;MW:424.3852;EXA:1
:
-<45,?4,-3=?6,-4=dl,2:N,8:S,3^45:/*H,1://O^15,5:/*COOH,
+<45,?4,-3=?6,-4=dl,2:N,8:S,3^45:/*H,1:?O^15,5:/*COOH,
@4,*\^15,NH!,?O!,//N!+O!,!,?5,{-1,-3}=dl,-4:O,@6,\,!O!,?O!,NH2
;
%------------------------------------------------------------------------------
CAT:antibiotics;EN:Apramycin;MW:539.58;EXA:1
:
-<30,?6,-4=?6,{2,10}:O,@1,\*,O,60~zb,?6,@9,\*,O,-60~zb,?6,-5:O,
+<30,?6,3=?6,{2,10}:O,@1,\*,O,60~zb,?6,@9,\*,O,-60~zb,?6,-5:O,
{7,13,14',-1',-2}:*/OH,{6',15,17,-3'}:*/NH2,8:*/NH!^-20,
-4:*/!OH,{3'^-60,4^60}:*/H
;
@@ -1111,7 +1112,7 @@ CAT:antibiotics;EN:Kanamycin;MW:484.499;EXA:1
CAT:antibiotics;EN:Neomycin;MW:614.644;EXA:1
:
<30,?6,3:O,2:/*!NH2,{1,6'}:*/OH,5:*/NH2,
- @4,*\,O,!~wb,?6,{-3,-5^15}:/*NH2,-2:*/OH^-15,
+ @4,*\,O,!wb,?6,{-3,-5^15}:/*NH2,-2:*/OH^-15,
@-1,\*,O,-72~wb,?5,-4:O,-1:/*OH>vt,-3:*/!OH>vt,
@-2,\*^-24,O,-60~zb,?6,-5:O,-1:/*NH2,{-2,-3'}:*/OH,-4:/*!NH2>60
;
@@ -1119,7 +1120,7 @@ CAT:antibiotics;EN:Neomycin;MW:614.644;EXA:1
CAT:antibiotics;EN:Streptmycin;MW:581.574;EXA:1
:
<54,?5,3:O,4:/*_,5:/OH^45,@1,\*,O,-24~wb,?6,-5:O,@2,*\,O,24~zb,?6,
- 5:/!!+O^-48,{10,11',15,16',18'}:*/OH,9:/*!OH,12:*/NH!,
+ 5:/!dO^-48,{10,11',15,16',18'}:*/OH,9:/*!OH,12:*/NH!,
{17^-18,19}:*/NH!+?NH+!NH2
;
%------------------------------------------------------------------------------
@@ -1138,7 +1139,7 @@ CAT:antibiotics;EN:dihydro-Streptmycin;MW:583.574;EXA:1
%------------------------------------------------------------------------------
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,
+<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!
;
%------------------------------------------------------------------------------
@@ -1151,8 +1152,8 @@ CAT:antibiotics;EN:Tobramycin;MW:467.51;EXA:1
CAT:antibiotics;EN:Spiramycin;MW:843.1;EXA:1
:
<-90,#1,60,60,-60,60,60,-60,60,60,-60,60,60,60,-60,60,-60,&1,##,
- {12,14}=dl,2:O,{1,10^-30}:/*_,5:/*OH,3://O,6:/*O!>vt,8:/*!+!!+O,
- @-6,\*^-30,O,!~wb,?6`.7,-5:O,#.5,-3:/*N?!,-4:*/_,##,
+ {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}:/*_,##,
;
@@ -1160,42 +1161,42 @@ CAT:antibiotics;EN:Spiramycin;MW:843.1;EXA:1
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:/*!+!!+O,
- @-6,\*^-30,O,!~wb,?6`.7,-5:O,#.5,-3:/*N?!,-4:*/_,##,
+ {12,14}=dl,2:O,{1,10^-30}:/*_,5:/*OH,3:?O,6:/*O!>vt,8:/*!+!dO,
+ @-6,\*^-30,O,!wb,?6`.7,-5:O,#.5,-3:/*N?!,-4:*/_,##,
@7,\*,O,0~wb,?6`.7,-5:O,#.5,-2:*/N?!,-4:*/_,{-1,-3}:/*OH,##,
;
%------------------------------------------------------------------------------
CAT:antibiotics;EN:Josamycin;MW:827.995;EXA:1
:
<-90,#1,60,60,-60,60,60,-60,60,60,-60,60,60,60,-60,60,-60,&1,##,
- {12,14}=dl,2:O,1:/*_,3://O,10:/*_,6:/*O!>vt,-6:/*OH,5:/*O!+?O!^-25,8:/*!+!!+O,
+ {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,/_,!,
+ @-3,*\,O,60,?O,60,-60,/_,!,
;
%------------------------------------------------------------------------------
CAT:antibiotics;EN:Leucomycin A5;MW:771.942;EXA:1
:
<-90,#1,60,60,-60,60,60,-60,60,60,-60,60,60,60,-60,60,-60,&1,##,
- {12,14}=dl,2:O,1:/*_,3://O,10:/*_,6:/*O!>vt,-6:/*OH,5:/*OH,8:/*!+!!+O,
+ {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,
+ @-3,*\,O,60,?O,60,-60,60,
;
%------------------------------------------------------------------------------
CAT:antibiotics;EN:Erythromycin;MW:733.93;EXA:1
:
<30,#1,<-120,60,60,60,-60,60,60,-60,60,60,60,-60,60,60,##,&1,
- 14:O,13:/*!,{1,9}://O,{2',4,6^-35,8,10',12^35}:/*_,
+ 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?!
+ @$5,\*^30`1.7,O,!zb,|,?6`.7,6:O,#.5,5:/*_,2:*/OH,3:/*N?!
;
%------------------------------------------------------------------------------
CAT:antibiotics;EN:Emamectine;MW:886.133;EXA:1
:
<24,?6,6=?5,3=dl,9:O,2:*/OH,3:/_,6:/*OH^-60,
- @5,#1.04,6,//O,-60,O,60~wb,60,-60,60~wf,60,-60,60,60,60,-60,60,##,&7,
+ @5,#1.04,6,?O,-60,O,60~wb,60,-60,60~wf,60,-60,60,60,60,-60,60,##,&7,
{-1,-3,-7}=dl,-11--(-10)=?6,@-2,?6,-6=wf,-1=zb,-5=dl,
{-1,-6}:O,-3:*/_,@-2,\,*/_,!2,
17:/_,19:/*_,@18,\,O!,?6`.7,-1:O,#.5,-2:*/_,-4:*/O!,##,
@@ -1206,9 +1207,9 @@ CAT:antibiotics;EN:Spinosad;MW:731.968;EXA:2
:
<30,#1,<-120,60,60,-60,60,60,60,-60,60,60,60,-60,&1,##,
5=?5,-1=dl,{-2^60,-3^-35}:/*H,-3=?6,-4=dl,
- {-1^35,-2'^-60}:*/H,-2=?5,2:O,{3^25,7^-25}://O,1:*/!,
+ {-1^35,-2'^-60}:*/H,-2=?5,2:O,{3^25,7^-25}:?O,1:*/!,
@-2,\*,O,66~zb,?6`.7,-1:O,#.5,-2:*/_,{-3',-4,-5}:*/O!,8:*/_,5^-65:*/H,##,
- @9,\*,O,!~zb,|,?6`.7,6:O,#.5,5:/*_,4:*/N?!
+ @9,\*,O,!zb,|,?6`.7,6:O,#.5,5:/*_,4:*/N?!
;
%------------------------------------------------------------------------------
CAT:antibiotics;EN:Natamycin;MW:665.733;EXA:1
@@ -1216,14 +1217,14 @@ CAT:antibiotics;EN:Natamycin;MW:665.733;EXA:1
<-90,#1,60,60,-60,60,-60,60,-60,60,-60,60,60,60,O,-60,
60,60,-60,60,-60,60,-60,60,60,-60,&1,##,12--13=?6,
{2,4,6,8,20}=dl,11=zb,23:O,-2:/*OH,-3:*/COOH,
- 18=?3,-1=wb,-2=wf,-1:O,22://O,24:*/_,{14^60,16}:*/OH,
+ 18=?3,-1=wb,-2=wf,-1:O,22:?O,24:*/_,{14^60,16}:*/OH,
@10,*\^15,O,90,?6`.7,-1:O,#.5,{-3,-5'}:*/OH,-4:/*NH2,-2:/*_
;
%------------------------------------------------------------------------------
CAT:antibiotics;EN:Tylocin;MW:916.10;EXA:1
:
<-90,#1,60,60,-60,60,60,-60,60,60,-60,60,60,60,-60,60,-60,&1,##,
- {12,14}=dl,2:O,1:/*!,5:/*OH,3://O,10:/*_,6:/*_,-6://O,-3:/_,8:/*!+!!+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}:/*_,##,
@@ -1232,7 +1233,7 @@ CAT:antibiotics;EN:Tylocin;MW:916.10;EXA:1
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:/_,
+ {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}:*/_
@@ -1242,38 +1243,38 @@ CAT:antibiotics;EN:Mirosamicin;MW:727.8791;EXA:1
:
<-90,#1,60,60,-60,60,60,-60,60,60,-60,60,60,60,-60,60,-60,&1,##,
@8,\*,O,0,?6`.7,-5:O,#.5,-2:*/N?!,-1:/*OH,-4:*/_,##,
- {5,13}=dl,15=?3,-2=wf,-1=wb,-1:O,3:O,2:/*!,{4,12}://O,{7,9,11'}:*/_,1:/*OH^-80,
- @1,*\,!,O,!~wb,?6`.7,-5:O,#.5,-3:/*OH,-4:*/_,{-1,-2}:/O!
+ {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,
+<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,
+<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,
+<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:*/_,
+<30,Ph,{-4,-3,-3}=?6,{16,19}=dl,{10,18}:?O,7:*/_,
{5,13~wf^60,11~wf,14,16}:/OH,15:*/N?!,17:/?O!+NH2
;
%------------------------------------------------------------------------------
CAT:antibiotics;EN:Tiamulin;MW:493.74;EXA:1
:
<-45.5,?8,-3=?5,@8,#.8,-210~zf,/_^60,45,56,##,&6~zb,
- {3^-45,5,8}:*/_,@3,\*^30,!~dl,4:/*OH,11://O,7:*/H^60,
+ {3^-45,5,8}:*/_,@3,\*^30,!d,4:/*OH,11:?O,7:*/H^60,
@1,15,O!,?O!2,S,60,60,-60,N?2,!2
;
%------------------------------------------------------------------------------
@@ -1282,8 +1283,8 @@ CAT:antibiotics;EN:Rifampicin;MW:822.94;EXA:2
<30,Ph,6:/_^30,5:/OH,-6=?5,-3:O,-8=?6,{-2,-4}=dl,{-1,-4}:/OH,
#1,@-2,\,NH,60,-60,60~dl,60,60~dl,-60,
60,-60,60,60,-60,60,-53,66,-53~dl,66`1.2,O,##,&$8,
- ||,{9,15}://O,16:/_,{20,24^30}:*/_,{21,23}:/*OH,{8^60,22,26^30}:/*_,
- -4:/*O!,@-6,-30,O!,?O!,@$11,\,!!,N,!,|,?6,1:N,4:N?
+ ||,{9,15}:?O,16:/_,{20,24^30}:*/_,{21,23}:/*OH,{8^60,22,26^30}:/*_,
+ -4:/*O!,@-6,-30,O!,?O!,@$11,\,!d,N,!,|,?6,1:N,4:N?
;
%==============================================================================
CAT:pesticide;EN:BHC;MW:290.83;EXA:1
@@ -1293,22 +1294,22 @@ CAT:pesticide;EN:BHC;MW:290.83;EXA:1
%------------------------------------------------------------------------------
CAT:pesticide;EN:pp-DDT;MW:354.49;EXA:1
:
-<30,Ph,6:/Cl,@3,\,/CCl3,!Ph,-3:/Cl
+<30,Ph,6:/Cl,@3,\,/?Cl?Cl!Cl,!Ph,-3:/Cl
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:op-DDT;MW:354.49;EXA:-
:
-<30,Ph,4:/Cl,@3,\,/CCl3,!Ph,-3:/Cl
+<30,Ph,4:/Cl,@3,\,/?Cl?Cl!Cl,!Ph,-3:/Cl
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:pp-DDD;MW:320;EXA:-
:
-<30,Ph,6:/Cl,@3,\,/CCl2,!Ph,-3:/Cl
+<30,Ph,6:/Cl,@3,\,/?Cl!Cl,!Ph,-3:/Cl
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:pp-DDE;MW:318;EXA:-
:
-<30,Ph,6:/Cl,@3,\,//CCl2,!Ph,-3:/Cl
+<30,Ph,6:/Cl,@3,\,//?Cl!Cl,!Ph,-3:/Cl
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:XMC;MW:179.2;EXA:-
@@ -1319,7 +1320,7 @@ CAT:pesticide;EN:XMC;MW:179.2;EXA:-
CAT:pesticide;EN:Acrinathrin;MW:541.45;EXA:1
:
<-30,?3,{2^-35,2'^35}:*/_,
- @1,\,!~dl,!,//O,!O!,/CF3,!,CF3,@3,\,//O,!O!,/CN,!Ph,-4:/O!+Ph>rl
+ @1,\,!d,!,?O,!O!,/?F?F!F,!,?F?F!F,@3,\,?O,!O!,/CN,!Ph,-4:/O!+Ph>rl
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Azaconazole;MW:300.139;EXA:1
@@ -1354,12 +1355,12 @@ CAT:pesticide;EN:Isoprothiolane;MW:290.4;EXA:1
%------------------------------------------------------------------------------
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,@3,\,!~dl,!,/OH,!,??!,@8,\,|,?5,{2,4}=dl,{1,2,4}:N
+<30,Ph,6:/Cl,@3,\,!d,!,/OH,!,??!,@8,\,|,?5,{2,4}=dl,{1,2,4}:N
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Esprocarb;MW:265.4;EXA:1
@@ -1369,7 +1370,7 @@ CAT:pesticide;EN:Esprocarb;MW:265.4;EXA:1
%------------------------------------------------------------------------------
CAT:pesticide;EN:Ethalfluralin;MW:333.3;EXA:1
:
-<30,Ph,{1,3}:/NO2,5:/CF3,@2,\`1.1,/!,N,!2,/_,!!
+<30,Ph,{1,3}:/NO2,5:/?F?F!F,@2,\`1.1,/!,N,!2,/_,!d
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Ethofenprox;MW:376.5;EXA:1
@@ -1385,17 +1386,17 @@ CAT:pesticide;EN:Endrin;MW:380.91;EXA:1
%------------------------------------------------------------------------------
CAT:pesticide;EN:Oxadiazon;MW:345.2;EXA:1
:
-<30,Ph,{4,6}:/Cl,1:/O+!?!,@3,\,|,?5,2=dl,{1,2}:N,4:O,5://O,3:/??!
+<30,Ph,{4,6}:/Cl,1:/O+!?!,@3,\,|,?5,2=dl,{1,2}:N,4:O,5:?O,3:/??!
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Oxadixyl;MW:278.3;EXA:1
:
-<30,Ph,{2,4}:/_,@3,\,N,!1,?O!2,O!,@7,\,|,?5,1:N,2:O,5://O
+<30,Ph,{2,4}:/_,@3,\,N,!1,?O!2,O!,@7,\,|,?5,1:N,2:O,5:?O
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Oxyfluorfen;MW:361.701;EXA:1
:
-<30,Ph,6:/CF3,4:/Cl,@3,\,O,!Ph,-3:/NO2,-4:/O!2
+<30,Ph,6:/?F?F!F,4:/Cl,@3,\,O,!Ph,-3:/NO2,-4:/O!2
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Cafenstrole;MW:350.4;EXA:1
@@ -1406,12 +1407,12 @@ CAT:pesticide;EN:Cafenstrole;MW:350.4;EXA:1
CAT:pesticide;EN:Carfentrazone-ethyl;MW:412.19;EXA:1
:
<30,Ph,4:/F,6:/Cl,@1,\,!,/Cl,!,?O!,O!2,
- @3,\,|,?5,4=dl,{1,3,5}:N,-4://O,-3:/CF2,-2:/_
+ @3,\,|,?5,4=dl,{1,3,5}:N,-4:?O,-3:/?F!F,-2:/_
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Carboxin;MW:235.301;EXA:1
:
-<30,?6,3=dl,2:S,5:O,4:/_,@3,\,//O,!NH!,Ph
+<30,?6,3=dl,2:S,5:O,4:/_,@3,\,?O,!NH!,Ph
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Quinoxyfen;MW:308.13;EXA:1
@@ -1426,17 +1427,17 @@ CAT:pesticide;EN:Quitozene;MW:295.3;EXA:1
%------------------------------------------------------------------------------
CAT:pesticide;EN:Kresoxim-Methyl;MW:313.348;EXA:1
:
-<30,Ph,@3,\,/?O!+O!,!!,N,!O!,@4,\,!,O,!Ph,-1:/_
+<30,Ph,@3,\,/?O!+O!,!d,N,!O!,@4,\,!,O,!Ph,-1:/_
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Clomazone;MW:239.7;EXA:1
:
-<30,Ph,2:/Cl,@3,\,!,|,?5,1:N,2:O,-2:??,-1://O
+<30,Ph,2:/Cl,@3,\,!,|,?5,1:N,2:O,-2:??,-1:?O
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Chlorfenapyr;MW:407.62;EXA:1
:
-<18,?5,3=dl,5=dl,2:N,4:/CN,5:/Br,1:/CF3,2:/!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
@@ -1461,14 +1462,14 @@ CAT:pesticide;EN:Chlorobenzilate;MW:325.2;EXA:1
%------------------------------------------------------------------------------
CAT:pesticide;EN:Chlorantraniliprole;MW:483.15;EXA:1
:
-<30,Ph,1:/Cl,3:/_,@5,\,//O,60,NH!,@4,\,NH!,?O!,<24,?5,
+<30,Ph,1:/Cl,3:/_,@5,\,?O,60,NH!,@4,\,NH!,?O!,<24,?5,
{-1,-3}=db,{-3,-4}:N,-2:/Br,
@-4,24,Ph,-5:N,-1:/Cl
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Azoxystrobin;MW:403.4;EXA:1
:
-<30,Ph,2:/CN,@3,\,O,!Ph,{-1,-3}:N,@-4,\,O,!Ph,@-5,\,/?O!+O!,!!,!O!
+<30,Ph,2:/CN,@3,\,O,!Ph,{-1,-3}:N,@-4,\,O,!Ph,@-5,\,/?O!+O!,!d,!O!
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Thiuram;MW:240.43;EXA:1
@@ -1478,7 +1479,7 @@ CAT:pesticide;EN:Thiuram;MW:240.43;EXA:1
%------------------------------------------------------------------------------
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+!!
+<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
@@ -1499,7 +1500,7 @@ CAT:pesticide;EN:Asulam;MW:230.2;EXA:1
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!
+ @-1,\,S?O?O,!NH!,?O,!NH!,Ph,{-1,-5}:N,{-2,-4}:/O!
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Triaziflam;MW:333.4;EXA:1
@@ -1514,14 +1515,14 @@ CAT:pesticide;EN:Trichlopyr;MW:256.47;EXA:1
%------------------------------------------------------------------------------
CAT:pesticide;EN:Halosulfuron-methyl;MW:434.82;EXA:1
:,
-<6,?5,{3,5}=db,{1,2}:N,2:/_,5:/Cl,@3,\,S?O?O,!NH!,//O,!NH!,Ph,{-2,-4}:/O!,
+<6,?5,{3,5}=db,{1,2}:N,2:/_,5:/Cl,@3,\,S?O?O,!NH!,?O,!NH!,Ph,{-2,-4}:/O!,
4:/?O!+O!
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Flupoxam;MW:460.8;EXA:2
:
<30,Ph,4:/Cl,@1,\,?5,{-2,-4}=db,{-2,-4,-5}:N,-1:/Ph,-3:/?O!+NH2,
- @3,\,!,O!2,/F^35,/F^-35,!,CF3
+ @3,\,!,O!2,/F^35,/F^-35,!,?F?F!F
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Cyanazine;MW:240.7;EXA:1
@@ -1536,12 +1537,13 @@ CAT:pesticide;EN:Diethofencarb;MW:267.3;EXA:1
%------------------------------------------------------------------------------
CAT:pesticide;EN:Diclofop-methyl;MW:341.2;EXA:1
:
-<30,Ph,{4,6}:/Cl,@3,\,O,!Ph,@-4,\,O,!?!,//O,!O!
+<30,Ph,{4,6}:/Cl,@3,\,O,!Ph,@-4,\,O,!?!,?O,!O!
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Cyhalothrin;MW:449.86;EXA:1
:
-<-30,?3,{2^-35,2'^35}:*/_,@1,\,!~dl,/CF3,!Cl,@3,\,//O,!O!,/CN,!Ph,-4:/O!+Ph>rl
+<-30,?3,{2^-35,2'^35}:*/_,@1,\,!d,/?F?F!F,!Cl,
+ @3,\,?O,!O!,/CN,!Ph,-4:/O!+Ph>rl
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Cyhalofop-Buthyl;MW:357.381;EXA:1
@@ -1557,12 +1559,12 @@ CAT:pesticide;EN:Diphenamid;MW:239.3;EXA:1
CAT:pesticide;EN:Cyfluthrin;MW:434.3;EXA:1
:
<-30,?3,{2^-35,2'^35}:*/_,
- @1,\,!~dl,/Cl,!Cl,@3,\,//O,!O!,/CN,!Ph,-3:/F,-4:/O!+Ph>rl
+ @1,\,!d,/Cl,!Cl,@3,\,?O,!O!,/CN,!Ph,-3:/F,-4:/O!+Ph>rl
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Diflufenican;MW:394.29;EXA:1
:
-<30,Ph,{1,5}:/F,@4,\,NH!,//O,!Ph,6:N,-5:/O!+Ph+(-3:/CF3)
+<30,Ph,{1,5}:/F,@4,\,NH!,?O,!Ph,6:N,-5:/O!+Ph+(-3:/?F?F!F)
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Cyproconazole;MW:291.8;EXA:1
@@ -1572,7 +1574,7 @@ CAT:pesticide;EN:Cyproconazole;MW:291.8;EXA:1
%------------------------------------------------------------------------------
CAT:pesticide;EN:Cypermethrin;MW:416.3;EXA:1
:
-<-30,?3,{2^-35,2'^35}:*/_,@1,\,!~dl,/Cl,!Cl,@3,\,//O,!O!,/CN,!Ph,-4:/O!+Ph>rl
+<-30,?3,{2^-35,2'^35}:*/_,@1,\,!d,/Cl,!Cl,@3,\,?O,!O!,/CN,!Ph,-4:/O!+Ph>rl
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Simazine;MW:201.7;EXA:1
@@ -1597,7 +1599,7 @@ CAT:pesticide;EN:Simetryn;MW:213.3;EXA:1
%------------------------------------------------------------------------------
CAT:pesticide;EN:Dimepiperate;MW:263.4;EXA:1
:
-<30,Ph,@3,\,??,!,S,!,?O!,?6,-6:N
+<30,Ph,@3,\,??,!S!,?O!,?6,-6:N
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Diazinon;MW:304.35;EXA:1
@@ -1607,17 +1609,18 @@ CAT:pesticide;EN:Diazinon;MW:304.35;EXA:1
%------------------------------------------------------------------------------
CAT:pesticide;EN:Thiobencarb;MW:257.776;EXA:1
:
-<30,Ph,1:/Cl,@4,\,!,S,!,?O!,N?2,!2
+<30,Ph,1:/Cl,@4,\,!S!,?O!,N?2,!2
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Thiometon;MW:246.34;EXA:1
:
-<-30,!O!,P,//S,/O!^160,!,S,!3,S,!2
+<-30,!O!,P,//S,/O!^160,!,S!3,S!2
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Thifluzamide;MW:528.08;EXA:1
:
-<-12,?5,{3,5}=dl,2:S,5:N,3:/CF3,1:/_,@4,\,//O,!NH!,<6,Ph,{-5,-1}:/Br,-3:/O!+CF3
+<-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
@@ -1639,12 +1642,12 @@ CAT:pesticide;EN:Tecnazene;MW:260.879;EXA:1
%------------------------------------------------------------------------------
CAT:pesticide;EN:Tetrachlorvinfos;MW:365.97;EXA:1
:
-<-30,!O!,P,//O,/O!^160,!O!,/Ph+({2,4,5}:/Cl),!!,!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,@4,\,!3,O!,/F^35,/F^-35,!,CF2,7:/Ph+({4,6}:/Cl)
+<-6,?5,{2,5}=dl,{1,2,4}:N,@4,\,!3,O!,/F^35,/F^-35,!,?F!F,7:/Ph+({4,6}:/Cl)
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Tetradifon;MW:356.038;EXA:1
@@ -1654,7 +1657,7 @@ CAT:pesticide;EN:Tetradifon;MW:356.038;EXA:1
%------------------------------------------------------------------------------
CAT:pesticide;EN:Thenylchlor;MW:323.835;EXA:1
:
-<6,?5,{2,5}=dl,4:S,2:/O!,@3,\,!,N,7:/Ph+({6,2}:/_)^-15,!,//O,!2,Cl,
+<6,?5,{2,5}=dl,4:S,2:/O!,@3,\,!,N,7:/Ph+({6,2}:/_)^-15,!,?O!2,Cl,
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Tebuconazole;MW:307.8;EXA:1
@@ -1669,7 +1672,7 @@ CAT:pesticide;EN:Tebufenpyrad;MW:333.86;EXA:1
%------------------------------------------------------------------------------
CAT:pesticide;EN:Tefluthrin;MW:418.736;EXA:1
:
-<-30,?3,{2^-35,2'^35}:*/_,@1,\,!!,/CF3,!Cl,@3,\,?O!,O!2,|,Ph,{2,3,5,6}:/F,4:/_
+<-30,?3,{2^-35,2'^35}:*/_,@1,\,!d,/?F?F!F,!Cl,@3,\,?O!,O!2,|,Ph,{2,3,5,6}:/F,4:/_
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Terbutryn;MW:241.4;EXA:1
@@ -1679,7 +1682,7 @@ CAT:pesticide;EN:Terbutryn;MW:241.4;EXA:1
%------------------------------------------------------------------------------
CAT:pesticide;EN:Terbufos;MW:288.42;EXA:1
:
-<30,!2,O!,P,//S,/O!2^160>rl,!,S,!2,S,!,??!
+<30,!2,O!,P,//S,/O!2^160>rl,!,S!2,S!,??!
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Triadimefon;MW:293.8;EXA:1
@@ -1694,17 +1697,17 @@ CAT:pesticide;EN:Triazophos;MW:313.31;EXA:1
%------------------------------------------------------------------------------
CAT:pesticide;EN:Triallate;MW:304.7;EXA:1
:
-<-30,!?!,N,/?!,!,?O!,S,!2,/Cl,!!,/Cl,!Cl
+<-30,!?!,N,/?!,!,?O!,S!2,/Cl,!d,/Cl,!Cl
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Dimethylvinphos;MW:331.52;EXA:1
:
-<-30,!O!,P,//O,/O!^160,!O!,/Ph+({2,4}:/Cl)`1,!!,!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:/CF3,@2,\,N,/!2,!3
+<30,Ph,{1,3}:/NO2,5:/?F?F!F,@2,\,N,/!2,!3
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Napropamide;MW:271.4;EXA:1
@@ -1719,7 +1722,7 @@ CAT:pesticide;EN:Nitrothal-isopropyl;MW:295.3;EXA:-
%------------------------------------------------------------------------------
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:/CF3)
+<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:-
@@ -1729,7 +1732,7 @@ CAT:pesticide;EN:Paclobutrazole;MW:293.795;EXA:-
%------------------------------------------------------------------------------
CAT:pesticide;EN:Picolinafen;MW:376.331;EXA:-
:
-<30,Ph,5:/CF3,@3,\,O,!Ph,-5:N,@-4,\,//O,!NH!,Ph,-3:/F
+<30,Ph,5:/?F?F!F,@3,\,O,!Ph,-5:N,@-4,\,?O,!NH!,Ph,-3:/F
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Bitertanol;MW:337.4;EXA:-
@@ -1745,7 +1748,7 @@ CAT:pesticide;EN:Bifenox;MW:342.14;EXA:-
CAT:pesticide;EN:Bifenthrin;MW:422.88;EXA:-
:
<-30,?3,{2^-35,2'^35}:*/_,
- @1,\,!~dl,/Cl,!,CF3,@3,\,//O,!O!,-60,Ph,-1:/_,-2:/Ph
+ @1,\,!d,/Cl,!,?F?F!F,@3,\,?O,!O!,-60,Ph,-1:/_,-2:/Ph
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Pyraflufen-ethyl;MW:413.174;EXA:-
@@ -1756,17 +1759,17 @@ CAT:pesticide;EN:Pyraflufen-ethyl;MW:413.174;EXA:-
%------------------------------------------------------------------------------
CAT:pesticide;EN:Pyridaben;MW:364.9;EXA:-
:
-<30,?6,{2,4}=dl,{5,6}:N,6:/??!,1://O,2:/Cl,@-4,\,S,!2,Ph,-3:/??!
+<30,?6,{2,4}=dl,{5,6}:N,6:/??!,1:?O,2:/Cl,@-4,\,S,!2,Ph,-3:/??!
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Pyridaphenthion;MW:340.34;EXA:1
:
-<30,!2,O!,P,//S,/O!2^160>rl,!O!,|,?6,{1,5}=dl,{2,3}:N,4://O,3:/Ph
+<30,!2,O!,P,//S,/O!2^160>rl,!O!,|,?6,{1,5}=dl,{2,3}:N,4:?O,3:/Ph
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Pyributicarb;MW:330.4;EXA:1
:
-<30,Ph,5:/??!,@3,\,?O!,S,!,N?!,Ph,-5:N,-4:/O!
+<30,Ph,5:/??!,@3,\,?O!,S!,N?!,Ph,-5:N,-4:/O!
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Pyriproxyfen;MW:321.5;EXA:1
@@ -1776,7 +1779,7 @@ CAT:pesticide;EN:Pyriproxyfen;MW:321.5;EXA:1
%------------------------------------------------------------------------------
CAT:pesticide;EN:Pyriminobac-Methyl;MW:361.354;EXA:-
:
-<30,Ph,2:/O!+?O!,@5,\,/_,!!,N,!O!,@3,\,O!,|,Ph,{2,6}:N,{3,5}:/O!
+<30,Ph,2:/O!+?O!,@5,\,/_,!d,N,!O!,@3,\,O!,|,Ph,{2,6}:N,{3,5}:/O!
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Pyrimethanil;MW:199.257;EXA:-
@@ -1786,22 +1789,23 @@ CAT:pesticide;EN:Pyrimethanil;MW:199.257;EXA:-
%------------------------------------------------------------------------------
CAT:pesticide;EN:Pyroquilon;MW:173.2;EXA:1
:
-<30,Ph,3=?6,10:N,9://O,11--4=?5
+<30,Ph,3=?6,10:N,9:?O,11--4=?5
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Vinclozolin;MW:286.108;EXA:1
:
-<36,?5,3:N,5:O,{2,4}://O,1:/_^54,@1,-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:/CF3,@3,\,|,?5,{2,4}=dl,{1,2}:N,3:/CN,5:/NH2,-2:/S?O+!CF3
+<30,Ph,{2,4}:/Cl,6:/?F?F!F,@3,\,
+ |,?5,{2,4}=dl,{1,2}:N,3:/CN,5:/NH2,-2:/S?O+!?F?F!F
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Fenomiphos;MW:303.36;EXA:-
:
-<30,!2,O!,P,//O,/NH+!?!^160,!,O,!Ph,-4:/_,-3:/S!
+<30,!2,O!,P,?O,/NH+!?!^160,!,O,!Ph,-4:/_,-3:/S!
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Fenarimol;MW:331.2;EXA:-
@@ -1831,7 +1835,7 @@ CAT:pesticide;EN:Parathion-methyl;MW:263.2;EXA:-
%------------------------------------------------------------------------------
CAT:pesticide;EN:Parathion;MW:291.3;EXA:-
:
-<30,!2,O!,P,//S,/O!2^160>rl,!,O,!Ph,-3:/NO2
+<30,!2,O!,P,//S,/O!2^160>rl,!O,!Ph,-3:/NO2
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Fenthion;MW:278.33;EXA:-
@@ -1856,12 +1860,12 @@ CAT:pesticide;EN:Prothyophos;MW:329.18;EXA:-
%------------------------------------------------------------------------------
CAT:pesticide;EN:Propaphos;MW:304.343;EXA:-
:
-<-30,!3,O!,P,//O,/O!3^160>rl,!O!,Ph,-3:/S!
+<-30,!3,O!,P,?O,/O!3^160>rl,!O!,Ph,-3:/S!
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Profenofos;MW:373.6;EXA:-
:
-<30,!2,O!,P,//S,/O!3^160>rl,!,O,!Ph,-5:/Cl,-3:/Br
+<30,!2,O!,P,//S,/O!3^160>rl,!O,!Ph,-5:/Cl,-3:/Br
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Bromophos;MW:365.99;EXA:-
@@ -1871,32 +1875,32 @@ CAT:pesticide;EN:Bromophos;MW:365.99;EXA:-
%------------------------------------------------------------------------------
CAT:pesticide;EN:Phosalone;MW:367.80;EXA:-
:
-<30,!2,O!,P,//S,/O!2^160>rl,!,S,!2,|,?5,4=Ph,4=dr,1:N,2://O,3:O,8:/Cl
+<30,!2,O!,P,//S,/O!2^160>rl,!,S!2,|,?5,4=Ph,4=dr,1:N,2:?O,3:O,8:/Cl
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Phosmet;MW:317.32;EXA:-
:
-<-30,!O!,P,//S,/O!^160,!,S,!2,|,?5,3=Ph2,1:N,{2,5}://O
+<-30,!O!,P,//S,/O!^160,!,S,!2,|,?5,3=Ph2,1:N,{2,5}:?O
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Phorate;MW:260.4;EXA:-
:
-<30,!2,O!,P,//S,!,S,!2,S,!2,4:/O!2^160>rl
+<30,!2,O!,P,//S,!,S!2,S!2,4:/O!2^160>rl
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Malathion;MW:330.35;EXA:-
:
-<-30,!O!,P,//S,/O!^160,!,S,!,/!?O!+O!2`1,!,?O!,O!2
+<-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:-
:
-<-30,!O!,P,//O,/O!^160,!,O,!?,!!,!,?O!,O!
+<-30,!O!,P,?O,/O!^160,!O,!?,!d,!,?O!,O!
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Chlorpyrifos;MW:350.59;EXA:-
@@ -1911,17 +1915,17 @@ CAT:pesticide;EN:Chlorpyrifos-methyl;MW:322.53;EXA:-
%------------------------------------------------------------------------------
CAT:pesticide;EN:Cadusafos;MW:270.386;EXA:-
:
-<-30,!2,?!,S,!,P,//O,/O!2^160>rl,!,S,!?,!2
+<-30,!2,?!,S!,P,?O,/O!2^160>rl,!,S,!?,!2
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Dimethoate;MW:229.25;EXA:-
:
-<-30,!O!,P,//S,/O!^160,!,S,!2,//O,!NH!
+<-30,!O!,P,//S,/O!^160,!,S!2,?O,!NH!
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Tribufos;MW:314.50;EXA:-
:
-<30,!4,S,!,P,//O,/S+!4^160>rl,!,S,!4
+<30,!4,S,!,P,?O,/S+!4^160>rl,!,S,!4
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Tolclofos-methyl;MW:301.13;EXA:-
@@ -1931,12 +1935,12 @@ CAT:pesticide;EN:Tolclofos-methyl;MW:301.13;EXA:-
%------------------------------------------------------------------------------
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!,
+<30,!2,O!,P,?O,/S!3^160>rl,!O!,
<-12,|,?5,{1,4}=dl,{3,4}:N,@-3,-12,Ph,-3:/Cl
;
%------------------------------------------------------------------------------
@@ -1973,7 +1977,7 @@ CAT:pesticide;EN:Edifenphos;MW:310.37;EXA:-
%------------------------------------------------------------------------------
CAT:pesticide;EN:Ethoprophos;MW:242.33;EXA:-
:
-<-30,!3,S,!,P,//O,/S!3^160>rl,!,O!2
+<-30,!3,S,!,P,?O,/S!3^160>rl,!,O!2
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Ethrimfos;MW:292.29;EXA:-
@@ -1988,12 +1992,12 @@ CAT:pesticide;EN:Quinalphos;MW:298.30;EXA:-
%------------------------------------------------------------------------------
CAT:pesticide;EN:Chlorfenvinphos;MW:359.58;EXA:-
:
-<30,!2,O!,P,//O,/O!2^160>rl,!O!,/Ph+({2,4}:/Cl)`1,!!,!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:-
@@ -2008,12 +2012,12 @@ CAT:pesticide;EN:Dichlofenthion;MW:315.2;EXA:-
%------------------------------------------------------------------------------
CAT:pesticide;EN:Fenvalerate;MW:419.91;EXA:-
:
-<30,Ph,6:/Cl,@3,\,/?!,!,//O,!O!,/CN,!Ph,-4:/O+!Ph>rl
+<30,Ph,6:/Cl,@3,\,/?!,!,?O,!O!,/CN,!Ph,-4:/O+!Ph>rl
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Fenpropathrin;MW:349.4;EXA:-
:
-<-30,?3,{1^35,2^-35}:*/_,{1^-35,2^35}:/*_,@3,\,//O,!O!,/CN,!Ph,-4:/O!+Ph>rl
+<-30,?3,{1^35,2^-35}:*/_,{1^-35,2^35}:/*_,@3,\,?O,!O!,/CN,!Ph,-4:/O!+Ph>rl
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Fenpropimorph;MW:303.49;EXA:1
@@ -2023,7 +2027,7 @@ CAT:pesticide;EN:Fenpropimorph;MW:303.49;EXA:1
%------------------------------------------------------------------------------
CAT:pesticide;EN:Phthalide;MW:271.9;EXA:1
:
-<30,Ph,3=?5,8:O,9://O,{1,2,5,6}:/Cl
+<30,Ph,3=?5,8:O,9:?O,{1,2,5,6}:/Cl
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Butachlor;MW:311.85;EXA:-
@@ -2038,22 +2042,22 @@ CAT:pesticide;EN:Bupirimate;MW:316.42;EXA:1
%------------------------------------------------------------------------------
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,@3,\,N,/?O!+Ph>rl,!?!,//O,!O!
+<30,Ph,1:/Cl,6:/F,@3,\,N,/?O!+Ph>rl,!?!,?O,!O!
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Fluacrypyrim;MW:426.392;EXA:1
:
-<30,Ph,{4,6}:N,1:/CF3,5:/O+!?!,@3,\,O!2,Ph,@-1,\,|,!!,!O!,1:/?O!+O!
+<30,Ph,{4,6}:N,1:/?F?F!F,5:/O+!?!,@3,\,O!2,Ph,@-1,\,|,!d,!O!,1:/?O!+O!
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Fluquinconazole;MW:376.2;EXA:1
:
-<30,Ph,3=?6,8=dl,{7,9}:N,6:/F,10://O,@8,\,
+<30,Ph,3=?6,8=dl,{7,9}:N,6:/F,10:?O,@8,\,
|,?5,{2,4}=dl,{1,3,5}:N,$9:/Ph+({4,6}:/Cl)
;
%------------------------------------------------------------------------------
@@ -2064,23 +2068,23 @@ CAT:pesticide;EN:Fludioxonil;MW:248.2;EXA:1
%------------------------------------------------------------------------------
CAT:pesticide;EN:Flucythrinate;MW:451.5;EXA:1
:
-<30,Ph,@6,\,O!,/F,!,F,@3,\,/?!,!,//O,!O!,/CN,!Ph,-4:/O!+Ph>rl
+<30,Ph,@6,\,O!,/F,!,F,@3,\,/?!,!,?O,!O!,/CN,!Ph,-4:/O!+Ph>rl
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Flutolanil;MW:323.3;EXA:1
:
-<30,Ph,2:/CF3,@3,\,//O,!NH!,Ph,-1:/O+!?!
+<30,Ph,2:/?F?F!F,@3,\,?O,!NH!,Ph,-1:/O+!?!
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Fluvalinate;MW:502.92;EXA:1
:
-<30,Ph,5:/Cl,1:/CF3,@4,\,NH!,/?!,!,//O,!O!,/CN,!Ph,-4:/O!+Ph>rl
+<30,Ph,5:/Cl,1:/?F?F!F,@4,\,NH!,/?!,!,?O,!O!,/CN,!Ph,-4:/O!+Ph>rl
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Flumioxazin;MW:354.337;EXA:1
:
-<30,Ph,6:/F,3=?6,-1:O,-4:N,-3://O,@-4,\,!,!!!,
- @1,\,|,?5,3=?6,3=dr,1:N,{2,5}://O
+<30,Ph,6:/F,3=?6,-1:O,-4:N,-3:?O,@-4,\,!,!t,
+ @1,\,|,?5,3=?6,3=dr,1:N,{2,5}:?O
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Pretilachlor;MW:311.85;EXA:-
@@ -2090,7 +2094,7 @@ CAT:pesticide;EN:Pretilachlor;MW:311.85;EXA:-
%------------------------------------------------------------------------------
CAT:pesticide;EN:Procymidone;MW:284.136;EXA:-
:
-?6,1:N,@3,&5,{2,6}://O,{3,5}:/_,1:/Ph+({3,5}:/Cl)
+?6,1:N,@3,&5,{2,6}:?O,{3,5}:/_,1:/Ph+({3,5}:/Cl)
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Propachlor;MW:211.689;EXA:-
@@ -2110,7 +2114,7 @@ CAT:pesticide;EN:Propanil;MW:218.077;EXA:-
%------------------------------------------------------------------------------
CAT:pesticide;EN:Propyzamide;MW:256.1;EXA:1
:
-<30,Ph,{1,5}:/Cl,@3,\,//O,!NH!,??,!,!!!
+<30,Ph,{1,5}:/Cl,@3,\,?O,!NH,!??!,!t
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Propiconazole;MW:342.22;EXA:-
@@ -2120,12 +2124,12 @@ CAT:pesticide;EN:Propiconazole;MW:342.22;EXA:-
%------------------------------------------------------------------------------
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:-
@@ -2150,7 +2154,7 @@ CAT:pesticide;EN:Hexaconazole;MW:314.2;EXA:-
%------------------------------------------------------------------------------
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:-
@@ -2170,7 +2174,7 @@ CAT:pesticide;EN:Heptachlor;MW:373.35;EXA:1
%------------------------------------------------------------------------------
CAT:pesticide;EN:Permethrin;MW:391.30;EXA:-
:
-<-30,?3,{2^-35,2'^35}:*/_,@1,\,!!,/Cl,!Cl,@3,\,?O!,O!2,Ph,-4:/O!+Ph>rl
+<-30,?3,{2^-35,2'^35}:*/_,@1,\,!d,/Cl,!Cl,@3,\,?O!,O!2,Ph,-4:/O!+Ph>rl
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Penconazole;MW:284.184;EXA:-
@@ -2185,7 +2189,7 @@ CAT:pesticide;EN:Pendimethalin;MW:281.3;EXA:-
%------------------------------------------------------------------------------
CAT:pesticide;EN:Benfluralin;MW:335.3;EXA:1
:
-<30,Ph,{1,3}:/NO2,5:/CF3,2:/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
@@ -2195,7 +2199,7 @@ CAT:pesticide;EN:Benfuresate;MW:256.3;EXA:1
%------------------------------------------------------------------------------
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:-
@@ -2205,7 +2209,7 @@ CAT:pesticide;EN:Myclobutanil;MW:288.8;EXA:-
%------------------------------------------------------------------------------
CAT:pesticide;EN:Methoxychlor;MW:345.644;EXA:-
:
-<30,Ph,@3,\,!Ph,{6,11}:/O!,7:/CCl3
+<30,Ph,@3,\,!Ph,{6,11}:/O!,7:/?Cl?Cl!Cl
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Metolachlor;MW:283.8;EXA:-
@@ -2225,7 +2229,7 @@ CAT:pesticide;EN:Mefenpyr-diethyl;MW:373.23;EXA:-
%------------------------------------------------------------------------------
CAT:pesticide;EN:Mepronil;MW:269.3;EXA:-
:
-<30,Ph,2:/_,@3,\,//O,!NH!,Ph,-2:/O+!?!
+<30,Ph,2:/_,@3,\,?O,!NH!,Ph,-2:/O+!?!
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Molinate;MW:187.3;EXA:1
@@ -2235,12 +2239,12 @@ CAT:pesticide;EN:Molinate;MW:187.3;EXA:1
%------------------------------------------------------------------------------
CAT:pesticide;EN:Resmethrin;MW:338.4;EXA:1
:
-<-30,?3,{2^-35,2'^35}:*/_,@1,\,!!,?!,3:/?O!+O!2,|,?5,{3,5}=dl,2:O,3:/!Ph
+<-30,?3,{2^-35,2'^35}:*/_,@1,\,!d,?!,3:/?O!+O!2,|,?5,{3,5}=dl,2:O,3:/!Ph
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Lenacil;MW:234.3;EXA:-
:
-<30,?6,3=?5,3=dl,6:N,2:NH,{1,5}://O,6:/?6
+<30,?6,3=?5,3=dl,6:N,2:NH,{1,5}:?O,6:/?6
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Halfenprox;MW:477.4;EXA:1
@@ -2261,18 +2265,18 @@ Ph,4:N,5=Ph,@-4,\,O,-60,<90,Cu,-90,O,60,Ph,-2=Ph,10:N,@4,&12~vf,@23,&12~vf
%------------------------------------------------------------------------------
CAT:pesticide;EN:Endosulfan;MW:406.904;EXA:1
:
-<26,?7,7=?6[13],@11,208~wf`1.45,&8~wb,10=dl,{3,5}:O,4:S,4://O,
+<26,?7,7=?6[13],@11,208~wf`1.45,&8~wb,10=dl,{3,5}:O,4:S,4:?O,
{8,9,10,11,12^-210,12^-150}:/Cl
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Uniconazole-P;MW:291.779;EXA:1
:
-<30,Ph,6:/Cl,@3,\,!~dl,!,/OH,!??!,@8,\,|,?5,{2,4}=dl,{1,2,4}:N
+<30,Ph,6:/Cl,@3,\,!d,!,/OH,!??!,@8,\,|,?5,{2,4}=dl,{1,2,4}:N
;
%******************************************************************************
CAT:pesticide;EN:Azinphos-methyl;MW:317.318;EXA:-
:
-<-30,!O!,P,//S,/O!^160,!,S,!2,|,?6,-3=?6,{2,4,8,10}=dl,{1:3}:N,6://O
+<-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
@@ -2282,22 +2286,22 @@ CAT:pesticide;EN:Azoxystorbin;MW:403.394;EXA:1
%------------------------------------------------------------------------------
CAT:pesticide;EN:Aramite;MW:334.859;EXA:-
:
-<30,Ph,6:/??!,@3,\,O!2,?!,O!,S,//O,!,O!3,Cl
+<30,Ph,6:/??!,@3,\,O!2,?!,O!,S,?O,!,O!3,Cl
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Aldicarb;MW:190.3;EXA:-
:
-<-30,!,S,!,??,!,!!,N,!O!,//O,!NH!
+<-30,!,S,!,??,!,!d,N,!O!,?O,!NH!
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Aldoxycarb;MW:222.3;EXA:-
:
-<30,!,//O,!NH!,O!,N,!!,!,??,!,S?O?O,!
+<30,!,?O,!NH!,O!,N,!d,!,??,!,S?O?O,!
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Isoxaflutole;MW:359.319;EXA:-
:
-<30,Ph,6:/CF3,@4,\,S?O?O,!,@3,\`1,//O,!`1,<-12,|,?5,{1,4}=dl,3:O,4:N,2:/?3
+<30,Ph,6:/?F?F!F,@4,\,S?O?O,!,@3,\`1,?O,!`1,<-12,|,?5,{1,4}=dl,3:O,4:N,2:/?3
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Iprovalicarb;MW:320.4;EXA:-
@@ -2307,7 +2311,7 @@ CAT:pesticide;EN:Iprovalicarb;MW:320.4;EXA:-
%------------------------------------------------------------------------------
CAT:pesticide;EN:Imazalil;MW:297.2;EXA:1
:
-<-30,!,/Ph+({4,6}:/Cl),!,O!2,!!,@1,60,|,?5,{2,4}=dl,{1,3}:N
+<-30,!,/Ph+({4,6}:/Cl),!,O!2,!d,@1,60,|,?5,{2,4}=dl,{1,3}:N
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Imidacloprid;MW:255.662;EXA:1
@@ -2317,18 +2321,18 @@ CAT:pesticide;EN:Imidacloprid;MW:255.662;EXA:1
%------------------------------------------------------------------------------
CAT:pesticide;EN:Indanofan;MW:340.80;EXA:-
:
-<30,Ph,3=?5,{7,9}://O,8^55>lr:/!,@8,-30,!2,Ph,-2:/Cl,@11,?3,-2:O
+<30,Ph,3=?5,{7,9}:?O,8^55>lr:/!,@8,-30,!2,Ph,-2:/Cl,@11,?3,-2:O
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Indoxacarb;MW:527.837;EXA:-
:
<-6,Ph,3=?5,9=?6,15=dl,10:O,{12,13}:N,1:/Cl,8`1^-54:/?O!+O!,
- @12,\,?O!,N,/?O!+O!,!Ph,-3:/O!+CF3
+ @12,\,?O!,N,/?O!+O!,!Ph,-3:/O!+?F?F!F
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Oxamyl;MW:219.3;EXA:-
:
-<-30,!,N?!,?O!,/S!,!!,N,!O!,?O!,NH!
+<-30,!,N?!,?O!,/S!,!d,N,!O!,?O!,NH!
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Oryzalin;MW:346.4;EXA:-
@@ -2338,7 +2342,7 @@ CAT:pesticide;EN:Oryzalin;MW:346.4;EXA:-
%------------------------------------------------------------------------------
CAT:pesticide;EN:Carbaryl;MW:201.22;EXA:-
:
-<30,Ph,5=Ph,@4,\,//O,!O!,NH!
+<30,Ph,5=Ph,@4,\,?O,!O!,NH!
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Carpropamid;MW:334.665;EXA:-
@@ -2358,22 +2362,22 @@ CAT:pesticide;EN:Cloquintocet-methyl;MW:335.83;EXA:-
%------------------------------------------------------------------------------
CAT:pesticide;EN:Clotianidin;MW:249.673;EXA:1
:
-<6,?5,{3,5}=dl,2:S,5:N,1:/Cl,@3,\,!NH!,/NH!,!!,N,!NO2
+<6,?5,{3,5}=dl,2:S,5:N,1:/Cl,@3,\,!NH!,/NH!,!d,N,!NO2
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Chromafenozide;MW:394.515;EXA:-
:
-<30,?6,3=?6,5:O,{7,9,11}=dl,7:/_,@8,\,//O,!NH!,N,/??!,!,//O,!Ph,{-4,-3}:/_
+<30,?6,3=?6,5:O,{7,9,11}=dl,7:/_,@8,\,?O,!NH!,N,/??!,!,?O,!Ph,{-4,-3}:/_
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Clomeprop;MW:324.2;EXA:-
:
-<30,Ph,{4,6}:/Cl,5:/_,@3,\,O,!?!,//O,!NH!,Ph
+<30,Ph,{4,6}:/Cl,5:/_,@3,\,O,!?!,?O,!NH!,Ph
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Chloridazon;MW:221.6;EXA:-
:
-<30,?6,{3,4}:N,{2,6}=dl,5://O,1:/NH2,6:/Cl,4:/Ph
+<30,?6,{3,4}:N,{2,6}=dl,5:?O,1:/NH2,6:/Cl,4:/Ph
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Chloroxuron;MW:290.745;EXA:-
@@ -2393,12 +2397,12 @@ CAT:pesticide;EN:Diuron;MW:233.1;EXA:-
%------------------------------------------------------------------------------
CAT:pesticide;EN:Cyflufenamid;MW:412.36;EXA:-
:
-<30,Ph,4^20:/CF3,{1,2}:/F,@3,\,!NH!,?O!2,Ph,@-10,\\,N,!,<-12,O!2,?3
+<30,Ph,4^20:/?F?F!F,{1,2}:/F,@3,\,!NH!,?O!2,Ph,@-10,\\,N,!,<-12,O!2,?3
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Diflubenzuron;MW:310.7;EXA:-
:
-<30,Ph,{2,4}:/F,@3,\,//O,!NH!,//O,!NH!,Ph,-3:/Cl
+<30,Ph,{2,4}:/F,@3,\,?O,!NH!,?O,!NH!,Ph,-3:/Cl
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Cyprodinil;MW:225.295;EXA:-
@@ -2413,12 +2417,12 @@ CAT:pesticide;EN:Simeconazole;MW:293.417;EXA:-
%------------------------------------------------------------------------------
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,@4,\,?O!,!!`1,/Ph+(4:/Cl),!,|,Ph,{4,5}:/O!
+<30,?6,1:O,4:N,@4,\,?O!,!d`1,/Ph+(4:/Cl),!,|,Ph,{4,5}:/O!
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Silafluofen;MW:408.588;EXA:-
@@ -2428,12 +2432,12 @@ CAT:pesticide;EN:Silafluofen;MW:408.588;EXA:-
%------------------------------------------------------------------------------
CAT:pesticide;EN:Di-allate;MW:270.212;EXA:-
:
-<-30,!?!,N,!,?O!,S,!2,!!,!Cl,3:/?!,7:/Cl
+<-30,!?!,N,!,?O!,S,!2,!d,!Cl,3:/?!,7:/Cl
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Daimuron;MW:268.4;EXA:-
:
-<30,Ph,@4,\,??,!NH!,//O,!NH!,Ph,-3:/_
+<30,Ph,@4,\,??,!NH!,?O,!NH!,Ph,-3:/_
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Thiacloprid;MW:252.72;EXA:-
@@ -2453,17 +2457,17 @@ CAT:pesticide;EN:Thiamethoxam;MW:291.71;EXA:-
%------------------------------------------------------------------------------
CAT:pesticide;EN:Tebuthiuron;MW:228.3;EXA:-
:
-<18,?5,{3,5}=dl,{4,5}:N,2:S,1:/??!,@3,\,N?!,//O,!NH!
+<18,?5,{3,5}=dl,{4,5}:N,2:S,1:/??!,@3,\,N?!,?O,!NH!
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Tebufenozide;MW:352.5;EXA:-
:
-<30,Ph,6:/!,@3,\,//O,!NH!,N,/??!,!,//O,!Ph,{-4,-2}:/_
+<30,Ph,6:/!,@3,\,?O,!NH!,N,/??!,!,?O,!Ph,{-4,-2}:/_
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Teflubenzuron;MW:381.1;EXA:-
:
-<30,Ph,{2,4}:/F,@3,\,//O,!NH!,//O,!NH!,|,Ph,{3,5}:/Cl,{4,6}:/F
+<30,Ph,{2,4}:/F,@3,\,?O,!NH!,?O,!NH!,|,Ph,{3,5}:/Cl,{4,6}:/F
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Tridemorph;MW:297.5;EXA:-
@@ -2473,18 +2477,18 @@ CAT:pesticide;EN:Tridemorph;MW:297.5;EXA:-
%------------------------------------------------------------------------------
CAT:pesticide;EN:Triflumuron;MW:358.701;EXA:-
:
-<30,Ph,4:/Cl,@3,\,//O,!NH!,//O,!NH!,Ph,-2:/O!+CF3
+<30,Ph,4:/Cl,@3,\,?O,!NH!,?O,!NH!,Ph,-2:/O!+?F?F!F
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Naproanilide;MW:291.35;EXA:-
:
-<30,Ph,4=Ph,@8,\,O,!?!,//O,!NH!,Ph
+<30,Ph,4=Ph,@8,\,O,!?!,?O,!NH!,Ph
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Novaluron;MW:492.706;EXA:-
:
-<30,Ph,{2,4}:/F,@3,\,//O,!NH!,//O,!NH!,
- Ph,-4:/Cl,@-3,\,O!,/F^-35,/F^35,!,/F,!O!,CF3
+<30,Ph,{2,4}:/F,@3,\,?O,!NH!,?O,!NH!,
+ Ph,-4:/Cl,@-3,\,O!,/F^-35,/F^35,!,/F,!O!,?F?F!F
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Pyraclostrobin;MW:387.817;EXA:-
@@ -2505,23 +2509,23 @@ CAT:pesticide;EN:Fenoxycarb;MW:301.35;EXA:-
%------------------------------------------------------------------------------
CAT:pesticide;EN:Fenobucarb;MW:207.3;EXA:-
:
-<30,Ph,5:/?!2,@4,\,O!,//O,!NH!
+<30,Ph,5:/?!2,@4,\,O!,?O,!NH!
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Ferimzone;MW:254.337;EXA:-
:
-<30,Ph,4:/_,@3,\,/_,!!,N,!NH!,|,Ph,{2,6}:N,{3,5}:/_
+<30,Ph,4:/_,@3,\,/_,!d,N,!NH!,|,Ph,{2,6}:N,{3,5}:/_
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Fenamidone;MW:311.403;EXA:-
:
-<18,?5,4=dl,{3,5}:N,2://O,@3,\,NH!,Ph,4:/S!,1^52:*/_,1^-48:/*Ph
+<18,?5,4=dl,{3,5}:N,2:?O,@3,\,NH!,Ph,4:/S!,1^52:*/_,1^-48:/*Ph
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Fenpyroximate;MW:421.49;EXA:-
:
<-6,?5,{3,5}=db,{1,2}:N,{2,5}:/_,@3,-15,O,!Ph,
- @4,\,!!,N,!,O,!2,Ph,@-3,\,//O,-60,O,!4
+ @4,\,!d,N!,O!2,Ph,@-3,\,?O,-60,O,!4
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Phenmedipham;MW:300.32;EXA:-
@@ -2531,70 +2535,70 @@ CAT:pesticide;EN:Phenmedipham;MW:300.32;EXA:-
%------------------------------------------------------------------------------
CAT:pesticide;EN:Butafenacil;MW:474.817;EXA:-
:
-<30,?6,6=dl,{3,5}:N,{2,4}://O,6:/CF3,
- 3:/Ph+(4:/Cl),@-2,\,//O,!O!,??,!,?O!,O,!2,!!
+<30,?6,6=dl,{3,5}:N,{2,4}:?O,6:/?F?F!F,
+ 3:/Ph+(4:/Cl),@-2,\,?O,!O!,??,!,?O!,O!2,!d
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Flufenacet;MW:363.331;EXA:-
:
-<6,?5,{2,5}=dl,{1,2}:N,4:S,5:/CF3,@3,\,O!,-60,?O!,N,/?!,!Ph,-3:/F
+<6,?5,{2,5}=dl,{1,2}:N,4:S,5:/?F?F!F,@3,\,O!,-60,?O!,N,/?!,!Ph,-3:/F
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Flufenoxuron;MW:488.77;EXA:-
:
-<30,Ph,{2,4}:/F,@3,\,//O,!NH!,//O,!NH!,Ph,-1:/F,@-3,\,O,!Ph,-3:/CF3,-1:/Cl
+<30,Ph,{2,4}:/F,@3,\,?O,!NH!,?O,!NH!,Ph,-1:/F,@-3,\,O,!Ph,-3:/?F?F!F,-1:/Cl
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Fluridone;MW:329.3;EXA:-
:
-<30,?6,{3,6}=dl,2:N,2:/_,5://O,@4,\,Ph,-4:/CF3,6:/Ph
+<30,?6,{3,6}=dl,2:N,2:/_,5:?O,@4,\,Ph,-4:/?F?F!F,6:/Ph
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Propaquizafop;MW:443.884;EXA:-
:
<90,Ph,3=?6,{8,10}=dl,{7,10}:N,1:/Cl,
- @8,\,O,!Ph,@-3,\,O,|,!2,//O,!O!,-60,!,O,-60,N,-60~dr,!,{2,9}:/_
+ @8,\,O,!Ph,@-3,\,O,!?!,?O,!O,!3,O!,N,!dr,?!
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Hexaflumuron;MW:461.14;EXA:-
:
-<30,Ph,{2,4}:/F,@3,\,//O,!NH!,//O,!NH!,
+<30,Ph,{2,4}:/F,@3,\,?O,!NH!,?O,!NH!,
|,Ph,{3,5}:/Cl,@4,\,O!,/F^-35,/F^35,!,/F,!F
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Hexathiazox;MW:352.877;EXA:-
:
-<30,?6,@3,\,NH!,?O!,<-24,|,?5,1:N,3:S,2://O,5:/_,4:/Ph+(4:/Cl)
+<30,?6,@3,\,NH!,?O!,<-24,|,?5,1:N,3:S,2:?O,5:/_,4:/Ph+(4:/Cl)
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Pencycuron;MW:328.84;EXA:-
:
-<30,Ph,6:/Cl,@3,\,!N,/?5,!,//O,!NH!,Ph
+<30,Ph,6:/Cl,@3,\,!N,/?5,!,?O,!NH!,Ph
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Bendiocarb;MW:223.228;EXA:-
:
-<30,Ph,5=?5,{7,9}:O,8:??,@4,\,O!,//O,!NH!
+<30,Ph,5=?5,{7,9}:O,8:??,@4,\,O!,?O,!NH!
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Pentoxazone;MW:353.774;EXA:-
:
-<66,?5,5://?!,1:O,3:N,{2,4}://O,@3,\,|,Ph,4:/Cl,6:/F,3:/O!+?5
+<66,?5,5://?!,1:O,3:N,{2,4}:?O,@3,\,|,Ph,4:/Cl,6:/F,3:/O!+?5
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Boscalid;MW:343.21;EXA:-
:
-<30,Ph,5:N,4:/Cl,@3,\,//O,!NH!,Ph,-1:/Ph+(4:/Cl)
+<30,Ph,5:N,4:/Cl,@3,\,?O,!NH!,Ph,-1:/Ph+(4:/Cl)
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Methabenzthiazuron;MW:221.3;EXA:-
:
-Ph,3=?5,9=dl,7:S,9:N,@8,\,N?!,//O,!NH!
+Ph,3=?5,9=dl,7:S,9:N,@8,\,N?!,?O,!NH!
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Methoxyfenozide;MW:368.48;EXA:-
:
-<30,Ph,2:/_,1:/O!,@3,\,//O,!NH!,N,/??!,!,//O,!Ph,{-4,-2}:/_
+<30,Ph,2:/_,1:/O!,@3,\,?O,!NH!,N,/??!,!,?O,!Ph,{-4,-2}:/_
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Monolinuron;MW:214.6;EXA:-
@@ -2604,7 +2608,7 @@ CAT:pesticide;EN:Monolinuron;MW:214.6;EXA:-
%------------------------------------------------------------------------------
CAT:pesticide;EN:Lactofen;MW:461.78;EXA:-
:
-<30,Ph,4:/Cl,6:/CF3,@3,\,O,!Ph,-3:/NO2,@-4,\,?O!,O,!?!,?O!,O!2
+<30,Ph,4:/Cl,6:/?F?F!F,@3,\,O,!Ph,-3:/NO2,@-4,\,?O!,O,!?!,?O!,O!2
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Linuron;MW:249.1;EXA:-
@@ -2615,7 +2619,7 @@ CAT:pesticide;EN:Linuron;MW:249.1;EXA:-
CAT:pesticide;EN:Lufenuron;MW:511.15;EXA:-
:
<30,Ph,{2,4}:/F,
- @3,\,//O,!NH!,//O,!NH!,Ph,{-1,-4}:/Cl,@-3,\,O!,/F^35,/F^-35,!,/F,!,CF3
+ @3,\,?O,!NH!,?O,!NH!,Ph,{-1,-4}:/Cl,@-3,\,O!,/F^35,/F^-35,!,/F,!,?F?F!F
;
%******************************************************************************
CAT:antibacterial;EN:Sulfacetamide;MW:214.239;EXA:-
@@ -2655,7 +2659,7 @@ CAT:antibacterial;EN:Sulfapyrizine;MW:249.288;EXA:-
%------------------------------------------------------------------------------
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:/_,
+<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?)
;
%------------------------------------------------------------------------------
@@ -2672,22 +2676,22 @@ CAT:antibacterial;EN:Trimethoprim;MW:290.323;EXA:-
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,-4=?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,-4=?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,-4=?6,9=dl,7:N,6:/F,7:/?3,9:/COOH,10://O,
+<30,Ph,3=?6,9=dl,7:N,6:/F,7:/?3,9:/COOH,10:?O,
@1,\,|,?6,@2,-200`1.1,&5,{1,4}:N,4:*/_
;
%------------------------------------------------------------------------------
@@ -2703,7 +2707,7 @@ CAT:antibacterial;EN:Sulfadimidine;MW:278.33;EXA:-
%------------------------------------------------------------------------------
CAT:antibacterial;EN:Orbifloxacin;MW:395.382;EXA:-
:
-<30,Ph,-4=?6,9=dl,7:N,{2,5,6}:/F,7:/?3,9:/COOH,10://O,
+<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
;
%------------------------------------------------------------------------------
@@ -2714,12 +2718,12 @@ CAT:antibacterial;EN:Sulfamethoxypyridazine;MW:280.302;EXA:-
%------------------------------------------------------------------------------
CAT:antibacterial;EN:Sarafloxacin;MW:385.371;EXA:-
:
-<30,Ph,3=?6,9=dl,7:N,6:/F,9:/COOH,10://O,@1,\,?6,-6:N,-3:NH,7:/Ph+(4:/F)
+<30,Ph,3=?6,9=dl,7:N,6:/F,9:/COOH,10:?O,@1,\,?6,-6:N,-3:NH,7:/Ph+(4:/F)
;
%------------------------------------------------------------------------------
CAT:antibacterial;EN:Difloxacin;MW:399.398;EXA:-
:
-<30,Ph,-4=?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:-
@@ -2749,17 +2753,17 @@ CAT:antibacterial;EN:Pirimethamin;MW:248.714;EXA:-
%------------------------------------------------------------------------------
CAT:antibacterial;EN:Oxibendazole;MW:249.27;EXA:-
:
-<30,Ph,-4=?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:-
:
-<30,Ph,1:/NH2,@4,\,S?O?O,!NH!,//O,!Ph
+<30,Ph,1:/NH2,@4,\,S?O?O,!NH!,?O,!Ph
;
%------------------------------------------------------------------------------
CAT:antibacterial;EN:Ethopabate;MW:237.255;EXA:-
@@ -2779,17 +2783,17 @@ CAT:antibacterial;EN:Sulfaquinoxaline;MW:300.337;EXA:-
%------------------------------------------------------------------------------
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,-4=?5,9=dl,7:NH,9:N,@1,\,O,!Ph,8:/NH!+?O!+O!
+<30,Ph,3=?5,9=dl,7:NH,9:N,@1,\,O,!Ph,8:/NH!+?O!+O!
;
%------------------------------------------------------------------------------
CAT:antibacterial;EN:Flumequine;MW:261.225;EXA:-
:
-<30,Ph,{3,2--7}=?6,9=dl,7:N,6:/F,9:/COOH,10://O,13:/_
+<30,Ph,{3,2--7}=?6,9=dl,7:N,6:/F,9:/COOH,10:?O,13:/_
;
%------------------------------------------------------------------------------
34;CAT:antibacterial;EN:Sulfanitran;MW:335.334;EXA:-
@@ -2810,7 +2814,7 @@ CAT:antibacterial;EN:Famphur;MW:325.3;EXA:-
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:-
@@ -2835,12 +2839,12 @@ CAT:antibacterial;EN:Thiamphenicol;MW:356.22;EXA:-
%------------------------------------------------------------------------------
CAT:antibacterial;EN:Oxadiargyl;MW:341.19;EXA:-
:
-<30,Ph,{1,3}:/Cl,6:/O!2+!!!,@4,\,|,?5,2=dl,{1,2}:N,4:O,5://O,3:/??!
+<30,Ph,{1,3}:/Cl,6:/O!2+!t,@4,\,|,?5,2=dl,{1,2}:N,4:O,5:?O,3:/??!
;
%------------------------------------------------------------------------------
CAT:antibacterial;EN:Oxaziclomefone;MW:376.277;EXA:-
:
-<30,?6,6=dl,4:N,2:O,1:/_,5://O,6:/Ph,@4,\,??,!Ph,{-4,-2}:/Cl
+<30,?6,6=dl,4:N,2:O,1:/_,5:?O,6:/Ph,@4,\,??,!Ph,{-4,-2}:/Cl
;
%******************************************************************************
CAT:biological;EN:Okadaic acid;MW:805.00;EXA:2
@@ -2855,11 +2859,11 @@ CAT:antibiotics;EN:Vancomycin;MW:1449.25;EXA:2
:
<-30,#1,!12,{1,3,12}=zf,7=wf,60,60,Ph,@-3,\,O,!Ph,@-4,\,O,!Ph,@-3,\,&1,
@7,&26,@$1,60,60,NH,60,-60,Ph,@-1,\,Ph,@-2,&4,##,
- {36,3^40,6,9,12}://O,{2,5,8,11}:NH,{1,4^180,7'^-60,10'^60,14'^60,35^-60}:*/H,
+ {36,3^40,6,9,12}:?O,{2,5,8,11}:NH,{1,4^180,7'^-60,10'^60,14'^60,35^-60}:*/H,
{41,43,46}:/OH,{14,35'}:*/OH,{17,34^15}:/Cl,38^180:*/COOH,
- @10,*\^-60,60,?O!,NH2,@13,*\,NH!,?O!,/??!,*/H^60,!~zf,NH!,
- @23,\,O,!~zf,|,?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,
+ @10,*\^-60,60,?O!,NH2,@13,*\,NH!,?O!,/??!,*/H^60,!z,NH!,
+ @23,\,O,!z,|,?6`.7,2:O,3^10:*/!OH,{4',5}:*/OH,
+ @-1,\*,O,!wb,|,?6`.7,6:O,{3'^35,5}:*/_,3^-35:/NH2,4:/*OH,
;
%------------------------------------------------------------------------------
CAT:biological;EN:Maitotoxin;MW:3425.86;EXA:2
diff --git a/graphics/mcf2graph/mcf2graph.mp b/graphics/mcf2graph/mcf2graph.mp
index cffbaa6fe6..ba2c36b292 100644
--- a/graphics/mcf2graph/mcf2graph.mp
+++ b/graphics/mcf2graph/mcf2graph.mp
@@ -1,5 +1,5 @@
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% mcf2graph ver 5.10 Copyright (c) 2013-2024 Akira Yamaji
+% mcf2graph ver 5.11 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@gmail.com
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-message "* This is mcf2graph ver 5.10 2024.01.03";
+message "* This is mcf2graph ver 5.11 2024.01.21";
tracingstats:=1; prologues:=3; warningcheck:=0;
%-------------------------------------------------------------------------------------------------
newinternal string EN_;
@@ -33,7 +33,7 @@ string row[][],save_str[],tbl_atom_str[],str_tbl[],arg_s[],mc[],ex[],ad[],op[],
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,dum,save_mposition;
+pair save_pair[],msize,mposition,fsize,fmargin,dum,save_mposition,?,?O,?w,?z;
%-------------------------------------------------------------------------------------------------
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;
@@ -340,7 +340,7 @@ def read_mcf(expr n)(text t)=
if unknown inside_mc::
save /,//,/*,*/,**,*/*,~,^,',`,<,>,:,=,+,\,\\,*\,\*,*\*,@,@$,$,&,&$,#,##,{,},|,||,_,
--,---,----,CP,CA,CC,DL,FR,inside_mc;
- inside_mc:=1; | :=mark_adress; || :=reset_adress; ##:=reset_length; _:=Me;
+ 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;
@@ -821,7 +821,9 @@ def add_group=
if envT<>hz: store_group(_chg_env,envT) fi
if lineT=nl: store_group(_chg_len,_size_atom) store_group(_adj_ang,0) fi
if lineT<>nb: store_group(_mk_bond,0) fi
- for i=1 upto pcode_cnt[nP]: store_group(pcode_com[nP][i],pcode_par[nP][i]) endfor
+ if nP<>NO_ATOM:
+ for i=1 upto pcode_cnt[nP]: store_group(pcode_com[nP][i],pcode_par[nP][i]) endfor
+ fi
store_group(_com,_len_e) store_group(_chg_env,hz) store_group(_com,_term)
if f_lineT=0: lineT:=si; fi
if f_lenT=0: lenT:=rate_cr; fi
@@ -1391,6 +1393,7 @@ Sn:=TA("{Sn}",118.71, 119.90220163); Ta:=TA("{Ta}",180.948, 0);
Te:=TA("{Te}",127.60, 129.90623); Ti:=TA("{Ti}",47.867, 47.94794198);
U:= TA("U", 238.0289, 238.05079); V:= TA("V", 50.9415, 50.943957);
W:= TA("W", 183.85, 181.948225); Zn:=TA("{Zn}",65.409, 63.92914201);
+NO_ATOM:=TA("",0,0);
tbl_atom_end:=tbl_cnt;
%-------------------------------------------------------------------------------------------------
if sw_expand=0:
@@ -1403,19 +1406,21 @@ fi
%-------------------------------------------------------------------------------------------------
tbl_group_end:=tbl_cnt; pcode_atom_end:=pcode_num;
%=================================================================================================
+?:=(_group_si,NO_ATOM); ?w:=(_group_wf,NO_ATOM); ?z:=(_group_zf,NO_ATOM); ?O:=(_group_dm,O);
for i=3 upto 20: ?[i]:='((_com,_len_ss),(_get_len,_ring_len),<((-180 DIV i)-90)
for j==2 upto i:: ,(360 DIV i) endfor,(_cyc_sB,1-i),(_com,_len_ee));
endfor
-Ph:=Ph1:='(?6,-2=dl,-4=dl,-6=dl); Ph2:='(?6,-1=dl,-3=dl,-5=dl); Me:='();
+Ph:=Ph1:='(?6,-2=dl,-4=dl,-6=dl); Ph2:='(?6,-1=dl,-3=dl,-5=dl);
for i=5,6,7,8: for j=11 upto 15: ?[i][j]:='((i,j)); endfor endfor
%-------------------------------------------------------------------------------------------------
-!:=!1:='((_mk_bond,_arrange_ang)); !!:='(!~db); !!!:='(!~tm); NH:='(N,/H~nl);
+!:=!1:='((_mk_bond,_arrange_ang)); !db:=!d:='(!~db); !tm:=!t:='(!~tm); !wf:=!w:='(!~wf);
+!zf:=!z:='(!~zf); !wb:='(!~wb); !zb:='(!~zb); !dl:='(!~dl); !dr:='(!~dr); !dm:='(!~dm);
for i==2 upto 20:
![i]:='((_com,_len_ss),(_get_len,_tmp_len),! for j==2 upto i::,! endfor ,(_com,_len_ee));
endfor
-?!:='(/_,!); ?!!:='(/_,!!); ?!2:='(/_,!2); ??!:='(/_,/_^60,60); ??:='(/_^35,/_^-35);
+?!:='(/_,!); ?!d:='(/_,!d); ?!2:='(/_,!2); ??!:='(/_,/_^60,60); ??:='(/_^35,/_^-35);
!?:='(!,/_); !?!:='(!?,!); !??!:='(!,??,!); ?2:='(/!); !?2:='(!,?2); ?2!:='(?2,!); !?2!:='(!?2,!);
-n_:='((_set_add,MIS)); p_:='((_set_add,PLS));
+NH:='(N,/H~nl); n_:='((_set_add,MIS)); p_:='((_set_add,PLS));
zero_wf:='(0~wf); zero_zf:='(0~zf); zero_dm:='(0~dm); zero_wv:='(0~wv);
mark_adress:='((_com,_mark)); reset_adress:='((_com,_moff)); reset_length:='((_com,_len_e));
%-------------------------------------------------------------------------------------------------
@@ -1426,21 +1431,22 @@ if sw_expand=1:
ONa:='(O,!,Na); SO3Na:='(S,/ONa,//O^60,//O^-60);
fi
%-------------------------------------------------------------------------------------------------
-CF2:='(/F,60,F); CCl2:='(/Cl,60,Cl); CBr2:='(/Br,60,Br); CF3:='(/F,/F^60,60,F);
-CCl3:='(/Cl,/Cl^60,60,Cl); CBr3:='(/Br,/Br^60,60,Br);
+?F!F:='(/F,60,F); ?Cl!Cl:='(/Cl,60,Cl); ?Br!Br:='(/Br,60,Br); ?F?F!F:='(/F,/F^60,60,F);
+?Cl?Cl!Cl:='(/Cl,/Cl^60,60,Cl);
%-------------------------------------------------------------------------------------------------
N!:='(N,!); N?:='(N,/_); N!2:='(N,!3); N!2:='(N,!3); !N:='(!,N);
N?!:='(N,?!); N?2:='(N,?2); N?2!:='(N?2,!); N?!2:='(N,?!2);
-S?O:='(S,//O); S?O!:='(S?O,!); ?O?O:='(//O^-35,//O^35); S?O?O:='(S,?O?O); S?O?O!:='(S?O?O,!);
+S?O:='(S,?O); S?O!:='(S?O,!); ?O?O:='(?O^-35,?O^35); S?O?O:='(S,?O?O); S?O?O!:='(S?O?O,!);
O!:='(O,!); O!2:='(O,!2); O!3:='(O,!3); S!:='(S,!); S!2:='(S,!2); S!3:='(S,!3);
%-------------------------------------------------------------------------------------------------
-?O:='(//O); ?O!:='(?O,!); ?O!2:='(?O,!2); ?O!3:='(?O,!3); !?O:='(!,?O); !?O!:='(!,?O!);
-NH!:='(NH,!); NH!2:='(NH,!2); !NH!:='(!,NH!); ?NH2:='(/NH2); ?NH:='(//NH);
+?O!:='(?O,!); ?O!2:='(?O,!2); ?O!3:='(?O,!3); !?O:='(!,?O); !?O!:='(!,?O!);
+NH!:='(NH,!); NH!2:='(NH,!2); !NH:='(!,NH);!NH!:='(!,NH!); ?NH2:='(/NH2); ?NH:='(//NH);
%-------------------------------------------------------------------------------------------------
-!OH:='(!,OH); !SH:='(!,SH); !NH2:='(!,NH2); !S?O:='(!,S?O); !O:='(!,O);
+!OH:='(!,OH); !SH:='(!,SH); !NH2:='(!,NH2); !S?O:='(!,S?O); !O:='(!,O); !dO:='(!d,O);
!O!:='(!,O!); !O!2:='(!,O!2); !O!3:='(!,O!3); !S!:='(!,S!); !S!2:='(!,S!2); !S!3:='(!,S!3);
!COOH:='(!,COOH); ?COOH:='(/COOH); !CH3:='(!,CH3); !CN:='(!,CN); !CHO:='(!,CHO); !NO2:='(!,NO2);
-!Cl:='(!,Cl); !Br:='(!,Br); !F:='(!,F); !CF3:='(!,CF3); !CCl3:='(!,CCl3);
+!Cl:='(!,Cl); !Br:='(!,Br); !F:='(!,F); !?F!F:='(!,?F!F); !?Cl!Cl:='(!,?Cl!Cl);
+!?F?F!F:='(!,?F?F!F); !?Cl?Cl!Cl:='(!,?Cl?Cl!Cl);
!?3:='(!,?3); !?4:='(!,?4); !?5:='(!,?5); !?6:='(!,?6); !?7:='(!,?7); !?8:='(!,?8); !Ph:='(!,Ph);
?H:='(/H); ?F:='(/F); ?Cl:='(/Cl); ?OH:='(/OH); !?OH:='(!,?OH); ?OH!:='(?OH,!);
%-------------------------------------------------------------------------------------------------
diff --git a/graphics/mcf2graph/mcf_exa_soc.mp b/graphics/mcf2graph/mcf_exa_soc.mp
index 108060aa92..b80ca603d6 100644
--- a/graphics/mcf2graph/mcf_exa_soc.mp
+++ b/graphics/mcf2graph/mcf_exa_soc.mp
@@ -1,8 +1,8 @@
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% MCF metapost souce file example by Akira Yamaji 2024.01.03
+% MCF metapost souce file example by Akira Yamaji 2024.01.21
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-if unknown mcftograph: input mcf2graph; fi %%% it must be version 5.10
-message "* mcf_template 2024.01.03";
+if unknown mcftograph: input mcf2graph; fi %%% it must be version 5.11
+message "* mcf_template 2024.01.21";
message "";
%------------------------------------------------------------------------------
fsize:=(30mm,20mm);
diff --git a/graphics/mcf2graph/mcf_example.pdf b/graphics/mcf2graph/mcf_example.pdf
index e282b5b264..aa3ba32aa8 100644
--- a/graphics/mcf2graph/mcf_example.pdf
+++ b/graphics/mcf2graph/mcf_example.pdf
Binary files differ
diff --git a/graphics/mcf2graph/mcf_example.tex b/graphics/mcf2graph/mcf_example.tex
index 53ae0a1e17..257d3b40f8 100644
--- a/graphics/mcf2graph/mcf_example.tex
+++ b/graphics/mcf2graph/mcf_example.tex
@@ -1,7 +1,7 @@
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% Example of MCF Typeset with LuaLaTeX(luamplib) by A.Yamaji 2024.01.03
+% Example of MCF Typeset with LuaLaTeX(luamplib) by A.Yamaji 2024.01.21
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% ** mcf2graph.mf must be version 5.10
+% ** mcf2graph.mf must be version 5.11
% ** use mcf_library.mcf
% ** typeset by LuaLaTeX(luamplib)
%-------------------------------------------------------------------------
diff --git a/graphics/mcf2graph/mcf_manual.pdf b/graphics/mcf2graph/mcf_manual.pdf
index 8bf830bd7b..e0e87b0248 100644
--- a/graphics/mcf2graph/mcf_manual.pdf
+++ b/graphics/mcf2graph/mcf_manual.pdf
Binary files differ
diff --git a/graphics/mcf2graph/mcf_manual.tex b/graphics/mcf2graph/mcf_manual.tex
index d5a5359cba..3c79a1b095 100644
--- a/graphics/mcf2graph/mcf_manual.tex
+++ b/graphics/mcf2graph/mcf_manual.tex
@@ -1,7 +1,7 @@
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% Molecular Coding Format manual by Akira Yamaji 2024.01.03
+% Molecular Coding Format manual by Akira Yamaji 2024.01.21
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% ** mcf2graph.mf must be version 5.10
+% ** mcf2graph.mf must be version 5.11
% ** use main_lib.mcf
% ** typeset by LuaLaTeX(luamplib)
%----------------------------------------------------------------------------
@@ -372,6 +372,13 @@ endfigm
\index{dr}%
\index{db}%
\index{tm}%
+\index{"!db}%
+\index{"!tm}%
+\index{"!d}%
+\index{"!t}%
+\index{"!dm}%
+\index{"!dl}%
+\index{"!dr}%
\begin{verbatim}
(Double,triple)
a~type : ~~type,a
@@ -380,10 +387,10 @@ dl : double left side
dr : double right side
db : double left or right side
tm : triple
-!! : !~db / !!! : !~tm
+!db,!d : !~db / !tm,!t : !~tm
<-30,!~dm,!,!~dl,!,!~dr,!~db,!~db,!,!~tm
-<-30,!~dm,!,!~dl,!,!~dr,!! ,!! ,!,!!!
+<-30,!dm ,!,!dl ,!,!dr ,!d ,!d ,!,!t
\end{verbatim}
%-----------------------------------------
\begin{mplibcode}
@@ -2801,7 +2808,7 @@ row[3][4]="@7,60~wf`0.75,70~si_`1.3,45,N!,&9~wb,15=dl,6:/OH,8^180:*/H,12:/*OH"
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,@4,\,!!,!,!!,!,//O,!,?6,-6:N"
+row[4][3]="<30,Ph,-1=?5,{-1,-3}:O,@4,\,!d,!,!d,!,//O,!,?6,-6:N"
row[4][4]=";"
\end{verbatim}
%------------------------------------------------------------------------------
diff --git a/graphics/mcf2graph/template_lib.mcf b/graphics/mcf2graph/template_lib.mcf
index 19f82643ff..2af1f4d88f 100644
--- a/graphics/mcf2graph/template_lib.mcf
+++ b/graphics/mcf2graph/template_lib.mcf
@@ -1,7 +1,7 @@
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% mcf template file mcf_template.mcf by Akira Yamaji 2024.01.03
+% mcf template file mcf_template.mcf by Akira Yamaji 2024.01.21
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% must use version 5.10
+% must use version 5.11
% tag1:var1;tag2:var2;tag3:var3 .....
% first character of line "%" comment out
% first character of line ":" start MCF
@@ -21,10 +21,10 @@ Cat:biological;EN:Paclitaxel;MW:853.918;EXA:1
mposition:=(1,0);
%-------------------------------------------------------------------
: %%%%%%% start MCF %%%%%%
- ?6,5=dl,@3,#1,36,45,45,45,45,##,&5,-4=?6,-4=?4,-1=wb,-3=wf,-1:O,
- 4:??,6:/_,{3^-60,15}:*/OH,8:/*H^-60,9:*/_^60,10://O,
- @1,\,O,!,//O,!,*/OH,!,/Ph,60~wf,NH,-60,//O,60,Ph,
- @7,\*,O,-45,//O,60,Ph,{11>rl,12'^-15>lr}:*/?O!+O!
+?6,5=dl,@3,#1,36,45,45,45,45,##,&5,-4=?6,-4=?4,-1=wb,-3=wf,-1:O,
+ 4:??,6:/_,{3^-60,15}:*/OH,8:/*H^-60,9:*/_^60,10://O,
+ @1,\,O!,?O!,*/OH,!,/Ph,60~wf,NH,-60,//O,60,Ph,
+ @7,\*,O,-45,//O,60,Ph,{11>rl,12'^-15>lr}:*/O!+?O!
%-------------------------------------------------------------------
* %%%%%% start ext(...) %%%%%%
defaultscale:=0.5;
@@ -45,7 +45,7 @@ Cat:biological;EN:Erythromycin;MW:733.93
%-------------------------------------------------------------------
: %%%%%%% start MCF %%%%%%
<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:/*!,{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!,##,
diff --git a/graphics/mcf2graph/template_soc.mp b/graphics/mcf2graph/template_soc.mp
index 6948af9fb6..cfc1dd2699 100644
--- a/graphics/mcf2graph/template_soc.mp
+++ b/graphics/mcf2graph/template_soc.mp
@@ -1,8 +1,8 @@
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% MCF compile template file by Akira Yamaji 2024.01.03
+% MCF compile template file by Akira Yamaji 2024.01.21
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-if unknown mcftograph: input mcf2graph; fi %%% it must be version 5.10
-message "* mcf_template 2024.01.03";
+if unknown mcftograph: input mcf2graph; fi %%% it must be version 5.11
+message "* mcf_template 2024.01.21";
message "";
%------------------------------------------------------------------------------
%%%%ext(defaultscale:=.3; label.rt(EN,(0,0));)