<datawarrior-fileinfo>
<version="3.3">
<created="1694533727788">
<rowcount="100">
</datawarrior-fileinfo>
<datawarrior macroList>
<macro name="100+filters">
<task name="selectView">
viewName=Table
</task>
<task name="sortRows">
column=Parent ID
selectedFirst=false
descending=false
</task>
<task name="selectView">
viewName=Table
</task>
<task name="sortRows">
column=ID
selectedFirst=false
descending=false
</task>
<task name="deleteColumns">
defCriterion=
columnList=Child No	cLogP Fitness	Cycle	filter	Fitness	Generation	Molecular weight Fitness	Parent Generation	Parent ID	Run	Toxicity Risk	Toxicity Risk Fitness
columnDefMode=list
</task>
<task name="deleteColumns">
defCriterion=
columnList=Total Molweight
columnDefMode=list
</task>
<task name="closeFilter">
type=browser
duplicate=1
</task>
<task name="closeFilter">
type=structure
column=Structure
duplicate=1
</task>
<task name="closeFilter">
type=list
duplicate=1
</task>
<task name="changeDividerLocation">
fraction=0.45535
leftTarget=<Filter Area>
rightTarget=<Detail Area>
</task>
<task name="selectView">
viewName=Table
</task>
<task name="sortRows">
column=Docking Score
selectedFirst=false
descending=false
</task>
<task name="selectView">
viewName=Table
</task>
<task name="sortRows">
column=Docking Score
selectedFirst=false
descending=true
</task>
<task name="selectView">
viewName=Table
</task>
<task name="sortRows">
column=Docking Score
selectedFirst=false
descending=false
</task>
<task name="selectView">
viewName=Table
</task>
<task name="deleteSelectedRows">
</task>
</macro>
</datawarrior macroList>
<column properties>
<columnName="FragFp">
<columnProperty="parent	Structure">
<columnProperty="specialType	FragFp">
<columnProperty="version	1.2.1">
<columnName="Docking Pose">
<columnProperty="parent	Docked Protonation State">
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<columnProperty="naturalLigand	fcPc@CCStD`bPqHYEHXdldhdmDhhdQRCFhu{j`@jjjhF@J@@_q@q@ #qUGHiUfohl?F^lKgVFtN\GZRLzTBRQZk^qkI_k_`GnCqLeoDDse@@~]r~hE@@~^t~AErJU`{x@@CQQWqAAVhdz|Idmpj{S~|MlD`@gjUcdmojrqVMa_JIGt]ionj\GVHOvFoMbz^C|mGfU|J\^XkLQWZ_bFpqvpKayuq`Q?eQgRdgOKVGwKxmTxSLF]sqXUEGj}K[VRKWmph[NP{WGvfROGDG^tvybP@s}BUgJhHlbCiGe]dsG_HfMkKLgWXcaRSknOHA}AGnNZO}z[xbvYp[NlHrMFZJU_Nl\ddzbhhKptKBLeBr@pl]|ciQHwEn`xT|W^ZPy\lts{SYglkuMnFX_HsCY_uVPraYuVwfcC`~uNICPuSaIfIbTuaQyTewdoKSuEjqJ]|khfhJ@CPAX@D">
<columnName="Structure">
<columnProperty="specialType	idcode">
<columnName="Docked Protonation State">
<columnProperty="specialType	idcode">
</column properties>
FragFp	Docking Pose	Structure	ID	Docking Score	Docked Protonation State	Molecular weight	cLogP	nM
:UvrvvxnN5ylRdfES8s2OHxrKNGg141gIp2582V0NoC455W0bs0WV0wJQ4d5IHVV5B8Y!411$F210WcFk	#qQ]cHJUiMXhHyQ?lfHAjss@jK^vcF\RsmNEWyjzCTKQaoZRCM~~kJKLis`uqtU?cfOLh_k}wiqJs|aXJ{`YO|Q{}Z~hexImMwPXN^kGKySnrqo]ZKawb^sS{zIbgs\VKoaQh@cZ}{ZzS^PvkEs}nHbghSuJb_@pW~ZeuVfzG}eBe??vAAWhuQdqEM~l]ha]Vs[|lH\rVRNl~di`~~~@YJY}Qrnxnr`zbJTDmghqCrpsh]QwlJq@tpKIqipFZqyduT|slZPT~AtcjyXi{}szIaUfiloDv[D|ff@RHX?\Tveh[fZ~\IsQ[vAPPkm[tABgtrgKhu`bq}rXkzYiKLAWJlI`RS?lsVUTTEu{GnAQMTCsUR`{|uUWjGy\xsmSTlsK~ya_fkcGveQNQgVQO~MqZDBxjZLtNZsY]ZdFhj@OpAh`D	eodZHH@NEOHck@ICHhheDYmMDhldlhdfNIMHdkghBBjfZZkh@Ab@R@@	21752	-118.13	eodZHH@NEOHck@ICHhheDYmMDhldlhdfNIMHdkghBBjfZZkh@Ab@R@@	415	2.0712	46
:UvzvzyrSzyvTtfDjOuQALhrQNveV45zIp@3EHaN8rw5_T_Jbu0cV0wJv4d5GHVV_84l84405108!V80WcFk	#qc|ZUUKF\OWTbwfzXaaSMeNaEV\[bEKKtTCqERaPXuxQf@dbqajpszKfyy@X~QJBt{~R\N[JkY~KGBaChuNACFb]Q{tf^kexo?fOO_GmeANpLX?_cvfSu{[rZa?D{bXoo`PhesSo[LpP]@?Qy@mlMjlLs~ic}ptUnc[tTN|{mDHe??uZq{LvKLzbuTD\U^XOsBUl}hxhRSQ\tj`g^mLXxepBJH@oM_TYRVLnAo\~Rf]Y\E?UrAwtM?]gFweWQwBDuuFJviTi}M]uakfe\_nHNH~gFQlv}wLTezDenN\ZTHqtu[E\qwlsyf[NFWyPCAc{AsQh~nhgLrfZhn]UKBWwklm~Jqskmxm^CE]kjCo`tpLJTakV}dxsRIZoETsFUy[Jt{kWEPu\UGGiY]TbS\^U[sF{EcyP@A[\a@\l`vel~pc[jbqYZCxMA]WFj@FiR@O@@U@D	eodRHH@IOHek@ICHhddeDcMDhldlhdjFEMHdkgijZjfZZkh@IaBb\P@	22204	-117.7	eodRHH@IOHek@ICHhddeDcMDhldlhdjFEMHdkgijZjfZZkh@IaBb\P@	416	2.8316	39
:UvrvvwnN5ylRdfDS8s29HhrKNGg141gIp2582V0NoC454W0bs0WV0wJQ4d5IHVV5B8W!411$F010WVFk	#qLrrA@xVzyjZeD[Jpomr|hz?S`BnY]kRdaXSCkPcZ_Xd`JVIoW`nPNI_qmowlmpKVu^it[Wd{X~QQHrPE|yl@BiMSdu_hP]@r|xZa~Dl}zf^L`]Tr_faW__`~XROtV}cMm{O^uGsQ{XTgQpZlH@nnUJuqPwviMy_fmpe??uj~PQu{T|SeWdXxyKRCt{nGyTxK}Em]h|XRLg]~Nex^sz[~MpqJPfmXo^NrKzos?\Er}TX~iuujYOQ\j\MVjkJH]iRlBnhR\uxYhn[ZQYnKHjw~Xh_r[QjMLhpchcQY{gdeplhXQj?LQCJFY`@StKnCD]s~G^Z]]hwdmuXP[BuM|MnXk`YAWnXJaXptmcYK?\yCk`rKeUTYvDdyVUZTZ`u\pzuEF?tuoM\QtYj~SY?C]vT`{H_U{mdp}MIEfmPyAVPau{[nrqzzFjO@}XHZ\zjd@NPAF@D	eodZH@@DJIHc`LbbTTRbbVTRRUJbRdT\Rrzn^ZfjXFbJr`@hHBD@@	21316	-117.5	eodZH@@DJIHc`LbbTTRbbVTRRUJbRdT\Rrzn^ZfjXFbJr`@hHBD@@	411	2.4106	77
:UvrvvxvN5ylRdjTS8sX9HzrKNGg351gIr2582V1NoC455W0bs0WV0wpQBd5IHVV5B8Y!6118#F218WcFk	#qQNgGZ|T|BWQ^b|oNAn_FdTJRu\gFn~v|{tfIvtz|av\kTPMb~mPb~qfNGKfgQ{ol|BsHLSn{latE]zEVlTJiysbU\[dD[o~whILp``YEpMqupscShobOS\_zqJelB_|o]]iPkWa{jyQRHp{EgenaJe~csAat?X@~SUuQfpy]Dxe??}R~w\v^hvzMhQlhIZ{KTNlZxsERhG]r^fGnjJYsivir^@n_w]RrJhl[oUyR}L[RA}}JFPs[Kb?U{Wv@?FjqRXoSxT_jRMIbMmyl_ilTBZHAPB[{ulgT]wRkrTuvCijktrMyeYV|bp]nlHy?nQ\kPSwcRaaRhTXzPbK]NJkjIk|lzHixUhsSuHsNeYIItndCF_pt[{Uz?U^USIiFuZLc}^VrkB}EICd@SAXevMSJ^QyAc}[d\uJZKXNoMPRjBFhl@BhAI@D	eodRHH@IOHck@ICHhdieDcMDhldlhdjFEMHdkgh@JjfZZkh@AbCb@@	21732	-117.09	eodRHH@IOHck@ICHhdieDcMDhldlhdjFEMHdkgh@JjfZZkh@AbCb@@	414	3.0181	127
<rzvwvN5ylRdfES8sXCHhrKNGg141gIp2582V0NoC454W0js0WV0wJQ4d5IHVV5B8W!451$F010YVGk	#qPor}dsezy_ZXz[Sp|UqS@uys{`l]]jwD}HQRK^GzcoG~\Qr_zeNWjBLIlFLaetGVOlh^]Z~{O\S?__\Ed[m[rl}clG]t?gcr|?khQH}}nz^[wewraJbH?XF^Zcv^N~u]yQNYYMFQEzT{aqFlS}LhEOGqKde??ye~H_UNl{\u\ghpUKGCadYhegjpAamUU^TkT}n[P?ERWaZkYv{RMg\AZgpAZbmqO\aRgXoMoRzb[]\yZcE^yLrC~R|vR}IISoqltcjNb|rYg~XVn_aK|[wmblfrK@Y?HlpCZ{SDWiuUIcUR|s|NNJjRejeL?UHwEbJclul`D^^a\vZpGFrM^_PpMZVIDud~fUCTi]V?H?_evpOjoMqQCUgAoZhJhainC]oCdBTN[BdurMRWa\zAEfe@cKrU{uX@BwSjlJoY^mk^FPOwmXWJmzhd@APAf@D	eodRD@@DJIH`NlbbTTRbbVTVRVjbRdT\RrZn^ZfjXFbKJ`@hDBDd`@	21787	-117.04	eodRD@@DJIH`NlbbTTRbbVTVRVjbRdT\RrZn^ZfjXFbKJ`@hDBDd`@	412	2.2453	46
:UvrvvwnN5ylRdfES8s29HxrKNGg1B1gIp2582V0OoC454W0bs0_V0wKQ4d5IHVV5B8W!4110410FF10WVFk	#qGbJFlxnzlYzh^UGpWfr?@{@sy}MANn`dBTSDKV}ZrWG[|YcodwtMbI?iEWNG~{SFoBkkCPt{orRj`wtEIimIBmKSyPkqKOGcSq\CmgcRmR\|Md{rIZcjo\B^A]v`vrP}iSwKaIcifIt[VAiisDtJzyeLhhe??u{aXLvzT{CuvN\CIc]rPX]VQYfsIsw^ZIjEhanxDtgb`H|@~fT~]r[xyxlrt\oWwYar\|ll@u`r@XZUQxcrFYKAx|_VpaKrceMls^[?ZxEI^VXDAQfKzmtV|hBrfmiVhkR}pIwMhqavFIiOEgctyIJMAkSCkIiADf~}ahl@ClLZ|snXonNaYAXbmgHTJXrViQvEfMGgq\kTpKTePvBUnkjBC]gcQ^W?KBbeakt_ijG|sSUZLU[shRIWgEvQGMdlcCyeLYPC^XDAjCXO|}wjDbMb]Uoj@zhd@APAF@D	eodZH@@DJICC`LbbTTRbbVRfRNVbRdT\rRZn^ZfjXF`kJ`@hHBD@@	22536	-116.82	eodZH@@DJICC`LbbTTRbbVRfRNVbRdT\rRZn^ZfjXF`kJ`@hHBD@@	411	2.3143	77
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