<datawarrior-fileinfo>
<version="3.3">
<created="1684818035395">
<rowcount="20">
</datawarrior-fileinfo>
<datawarrior macroList>
<macro name="suitable_compounds_color">
<task name="calculateCompoundProperties">
propertyList=totalWeight	mutagenic	tumorigenic	reproEffective	irritant	nasty
structureColumn=Structure
</task>
<task name="addCalculatedValues">
columnName=filter
isOverwrite=false
formula=if (Mutagenic == "none" && Tumorigenic == "none" && ReproductiveEffective == "none" && Irritant == "none" && NastyFunctions == "", "retain entry", "skip entry")
</task>
<task name="closeFilter">
type=category
column=Mutagenic
duplicate=1
</task>
<task name="closeFilter">
type=category
column=Tumorigenic
duplicate=1
</task>
<task name="changeCategoryFilter">
column=Reproductive Effective
settings=#disabled#
duplicate=1
</task>
<task name="closeFilter">
type=category
column=Reproductive Effective
duplicate=1
</task>
<task name="closeFilter">
type=category
column=Irritant
duplicate=1
</task>
<task name="closeFilter">
type=category
column=Nasty Functions
duplicate=1
</task>
<task name="selectView">
viewName=Table
</task>
<task name="setTextBackgroundColor">
colorList=-16711936;-65494
column=filter
colorBy=filter
viewName=Table
mode=categories
</task>
</macro>
</datawarrior macroList>
<column properties>
<columnName="Structure">
<columnProperty="specialType	idcode">
<columnName="FragFp">
<columnProperty="parent	Structure">
<columnProperty="specialType	FragFp">
<columnProperty="version	1.2.1">
<columnName="Total Molweight">
<columnProperty="compoundProperty	totalWeight@Structure">
<columnName="Mutagenic">
<columnProperty="compoundProperty	mutagenic@Structure">
<columnName="Tumorigenic">
<columnProperty="compoundProperty	tumorigenic@Structure">
<columnName="Reproductive Effective">
<columnProperty="compoundProperty	reproEffective@Structure">
<columnName="Irritant">
<columnProperty="compoundProperty	irritant@Structure">
<columnName="Nasty Functions">
<columnProperty="compoundProperty	nasty@Structure">
<columnName="filter">
<columnProperty="formula	if (Mutagenic == "none" && Tumorigenic == "none" && ReproductiveEffective == "none" && Irritant == "none" && NastyFunctions == "", "retain entry", "skip entry")">
</column properties>
FragFp	Structure	Total Molweight	Mutagenic	Tumorigenic	Reproductive Effective	Irritant	Nasty Functions	filter
:xjpiyBnfJzM9CciCsg2c69rvNV884W6HG0OABJ0cq8o40ZFacFeV0JF10g5l29Z1!W84F4#V42880201V	fkoAH@@HyIUoMwdTRbbbfufTTRTqQVcVuRsUSTmUUR@@	406.386	none	none	none	high	twice activated DB; anhydride	skip entry
:xz9qNr9X6wZ2DBus0_XC2e0gFJ9XC046H0580N3OFN4dV07V4FgX4KZ090110FVd51V0@0h!2GFFF!1!V	fakAR@HHqDh@cIIBiheEeMBidkUoMzmP@@QUSPH@@	346.402	high	high	low	high	alkyl sulfonate/sulfate type	skip entry
ywsrJasG8c4H412ZFN0CVN2H10F0939X0HIV58803Gk960WV0@1VCXKLW1d89PmFg902@4c25V@4J04F5N#V	eo`PI@@@NIMHbjimlbbbTTTRRLVLVTTjT\|BZBbFbfijYfD@@	428.392	none	none	none	high		skip entry
zxxr_aySWf4U516iyBcg2N2QllN0O9426HHVK8BJ2Vq9Z41V0XdVfVGLO1VB9Gm0V190908F50@0o4609F6030	fg@h@@Dl{pXmV_HhhheEBhhcXhdhmrP}mSMTkMPPTU@@@	418.353	low	none	none	none	twice activated DB	skip entry
zxxrpauSte4DK16iTCchXN0QllN0BA0X4HHVK0BJ3Vk1641V0AWV0VKLl108C9XF4112848H12@0Z060SF201V	fnc@H@@HXIwderJIJJVJIQFIZshyZifdJBJh@@	322.268	none	none	none	high	anhydride	skip entry
:xzxyy:fyzSAxiySwj@f6QztsqRfSYLHI8ORRJ9trSqZX4qXe0jV0KGV1g9IPBgW80YBVH5V04k03N8N603V	eodPI@@@DDbjmckglbbTRRbRbRbbtRJadLBZrFfVZfjBhFVJjjbP@@	428.392	none	none	high	none		skip entry
zxxbpaTBlYJSM14cgC8Z08280WN0804V4HF!@BF!J84!VFVc0VV0FF!B0kF0Z(4#V%6030	fdqAp@@HxKU`yEDihbdidfjVjfj@@	260.241	none	none	none	high	twice activated DB	skip entry
yospJZNG8V4F4124FN050N2H$839X0HIV10803GV960WV021V52KL10188@FFg1!24c24V84404F4F2010	fbe@H@@HyKS`qrJIQQQPjXiF|u@tQQU@@@	286.235	high	none	none	low	anhydride	skip entry
:xzxyT:Yqxz3vDyxBbmSHUgbkN8YSb7JIV1E8Z3OqSaVY0535khXKH_V9c8PFkgW4A24i25V84KJ0HJN6030	fgoAh@@HqppTuGM^QQIZIQQQSJJEJIZNVjj`Xhbffj@@@	428.389	none	none	high	none		skip entry
:xzxiyUxfqzK3TihSwjmO0QpxNZNfFX6LFVS8BF1cF9aZYZ6AaVPVF6VW1BC3m4Zl9Ac0e05220Z8I2S8603V	fnc@H@@HyjNZmrJIQQQPqYQSSrXeZjXFHheb@@	320.252	none	none	none	high	anhydride	skip entry
:xjxyygrfJzh9gcihcg2B69ltJNNc406HF0tOBJ0co8o40VGXcFe!5J1!1GH!1!W04F4#k02#2V1V	fcw@H@@HT{sYkRY^UmyuYgVVfcZijjZkfijh@@	392.403	none	none	none	none		retain entry
:xzxyyyjfyzhAxDcxzjejb9ywoyTfFk6HGKW9OHcslCrkXgby@3AVBRZV181ILCgW49Z1VV46!F81!8#V	e`XPN@@@DNKNcglbbTTTQTaTJTtRQRfabvsTCDEUUUKULH@@	442.506	high	none	high	low	anhydride	skip entry
:xzpywoti4w41hyyRc_XBHP_xNFN3CW4HI0z8DFGto940lV0ec0hX4Kl19h5vHHg158X4FI4285W0FG986030	edTPC@@@DCKDlbmckg`\bbTrTrTVfbfvTTTq`dcT@EUTmUMLtp@@@	480.421	none	none	none	high	twice activated DB; anhydride	skip entry
:xzxiyUzjyzUAUyjUxCuQLQUz8aRvFb2PFVQTTHGslCyJYaLD1VG0JLVW1h8IP3gG8O!sF4201Zc7248$	fcw@p@@HxgK\bbTtTRtLRbNfRdcQJuAAQUSTuTP@@	390.474	none	none	none	high	anhydride	skip entry
zxxppZRKtX4R516iRR0_2N2PVW!839X42IV11BF3GV820WV02WV5XKL1010Bf0Fg1!64024V84Z!FBF6030	fly@H@@HyIw`qrJIQQQ[IQWUfhF`bZ`@@	270.192	high	none	none	high	anhydride	skip entry
:xzxyyyzjyzUfxyzUxhzE7Q:wqTvO_6LH0zEULStuOiVvaLyDFSX4Jl09h1vHIgl1SYBqH5485lNGG182010	eh\PE@@@DGOHdbno`\bbTtRTVbTrfTRcRRdTfvn^Z`HJffifjZhh@@	460.434	none	none	none	high	anhydride	skip entry
:xzxyy:jy:fzyztriyzbTzwOyUfSq5LIknBUm3xlO1kIc3QElhZGMx1d_9PPI0d4CYG2H5a@C_R4IJN201V	edRPA@@@DJCKIgh\bbTrbbbTUTbRLTrJQcdRRvsUTpTdEUUUUTP@@	476.564	none	none	none	none		retain entry
:xjxyygrfo:8hcghsg2g6CrvJsNc4W1HG0tP0k8co8o4H0Gac0e!GJ!c1GHW$d8!4#F%2010	fakA`@@ZCdTRVbbbRttJTdYtZmZjZjjijiX@@	328.45	none	none	none	high		skip entry
ywspJZsG8V4F4104FN05VN2H$831X0HI018801Fk960WV0@101V4LV0988HH0g1!24c25080F#4ND070	fmg@H@@HyHKYkrJIQQQSZIIKIUSSb}Z`ZBPjBRX@@@	372.328	high	high	none	high	anhydride	skip entry
=rOztmawZIEgzw8pXNHP0g8J8YhXZLnX5BBo3Ok96XbV225V_XpM_81w9PFFgW5dX4X25Vc4o0JF5NV0F0	e`XXI@@N`DNI@bmcklbbTTTVbRTVRTqTtvgfSSTCPADQQULt@@@	445.423	high	none	none	low	anhydride	skip entry
<datawarrior properties>
<colorBackground__TableIrritant_0="-65536">
<colorBackground__TableIrritant_1="-256">
<colorBackground__TableIrritant_2="-16711936">
<colorBackground__TableMutagenic_0="-65536">
<colorBackground__TableMutagenic_1="-256">
<colorBackground__TableMutagenic_2="-16711936">
<colorBackground__TableReproductive Effective_0="-65536">
<colorBackground__TableReproductive Effective_1="-256">
<colorBackground__TableReproductive Effective_2="-16711936">
<colorBackground__TableTumorigenic_0="-65536">
<colorBackground__TableTumorigenic_1="-256">
<colorBackground__Tablefilter_0="-16711936">
<colorBackground__Tablefilter_1="-65494">
<colorColumnBackground__TableIrritant="Irritant">
<colorColumnBackground__TableMutagenic="Mutagenic">
<colorColumnBackground__TableReproductive Effective="Reproductive Effective">
<colorColumnBackground__TableTumorigenic="Tumorigenic">
<colorColumnBackground__Tablefilter="filter">
<colorCountBackground__TableIrritant="3">
<colorCountBackground__TableMutagenic="3">
<colorCountBackground__TableReproductive Effective="3">
<colorCountBackground__TableTumorigenic="2">
<colorCountBackground__Tablefilter="2">
<colorListModeBackground__TableIrritant="Categories">
<colorListModeBackground__TableMutagenic="Categories">
<colorListModeBackground__TableReproductive Effective="Categories">
<colorListModeBackground__TableTumorigenic="Categories">
<colorListModeBackground__Tablefilter="Categories">
<columnFilter_Table="">
<columnWidth_Table_Irritant="80">
<columnWidth_Table_Mutagenic="80">
<columnWidth_Table_Nasty Functions="80">
<columnWidth_Table_Reproductive Effective="80">
<columnWidth_Table_Structure="100">
<columnWidth_Table_Total Molweight="80">
<columnWidth_Table_Tumorigenic="80">
<columnWidth_Table_filter="80">
<detailView="height[Data]=0.5;height[Structure]=0.5">
<filter0="#double#	Total Molweight">
<filter1="#category#	filter">
<filterAnimation0="state=stopped low2=80% high1=20% time=10">
<headerLines_Table="2">
<mainSplitting="0.70688">
<mainView="Table">
<mainViewCount="1">
<mainViewDockInfo0="root">
<mainViewName0="Table">
<mainViewType0="tableView">
<rightSplitting="0.64035">
<rowHeight_Table="80">
</datawarrior properties>
