09 R-group AnalysisSingle ScaffoldMulti-Scaffold:Count vs 5HT1a affinity (pKi)Single ScaffoldVisualisationSingle Scaffold*Single ScaffoldID}-Le˴BtK発KxBϚ=v*5HT1A Project Profile*5HT1A Project Profile*5HT1A Project Profile 2C9 pKi*2D6 affinity category(5HT1a affinity (pKi)BBB category0BBB log([brain]:[blood])HIA categoryP-gp categoryPPB90 categoryhERG pIC50logPlogS*5HT1A Project Profile*5HT1A Project Profile (5HT1a affinity (pKi)@??@??@"=logSb__BIOFOCUS__logS_3f92bbaba650ea90765323358dc53767??????@!HIA categoryr__BIOFOCUS__HIA_category_54a507608dba628340d32f1dfa4a150a?333336!-+logPb__BIOFOCUS__logP_7f386de520a9b5ed36f3f316692b6bb11?ٙ?ٙ@ ??@ ?ٙ?ٙ\ @0BBB log([brain]:[blood])2__BIOFOCUS__BBB_cont_2012ə??Ŀə????? =p ? =p 33@? =BBB category4__BIOFOCUS_BBB_category_RF?ᙙ~R-+P-gp category8__BIOFOCUS__P$gp_category_RF?enoyeshERG pIC50n__BIOFOCUS__hERG_pIC50_8141cd003b19c56eae1efbf895eb98f7@??@?333333?333333@@"2C9 pKi,__BIOFOCUS__2C9_pKi_RF,@??@?ffffff?ffffff@@@4A@*2D6 affinity 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<KeepOriginals>0</KeepOriginals> <UseValue>1</UseValue> <Precision>-1</Precision> <FloatingPointDisplay>Default</FloatingPointDisplay> </Rule> </RulesList> *5AS@6logSb__BIOFOCUS__logS_3f92bbaba650ea90765323358dc53767 __BIOFOCUS__logS&Aqueous solubility Continuous model predicting aqueous solubility (log uM) based upon in vitro data b__BIOFOCUS__logS_3f92bbaba650ea90765323358dc53767@!<RulesList> <Rule> <Column>logS</Column> <UserCreated>0</UserCreated> <ValueType>0</ValueType> <Value></Value> <IncrementStart>1</IncrementStart> <IncrementChange>1</IncrementChange> <Temporary>0</Temporary> <Units>2</Units> <SDType>0</SDType> <SD>0</SD> <SDColumn></SDColumn> <RemoveColumn>0</RemoveColumn> <KeepOriginals>1</KeepOriginals> <UseValue>1</UseValue> <Precision>-1</Precision> <FloatingPointDisplay>Default</FloatingPointDisplay> </Rule> </RulesList> JIK}(l(9d3logS @ pH7.4h__BIOFOCUS__logS7$4_d2030aacf943a9d0cdd809d8a80b0175&__BIOFOCUS__logS7$4(Solubility at pH 7.4Continuous model predicting apparent solubility at pH 7.4 for charged compounds (log uM)h__BIOFOCUS__logS7$4_d2030aacf943a9d0cdd809d8a80b0175-@!<RulesList> <Rule> <Column>logS @ pH7.4</Column> <UserCreated>0</UserCreated> <ValueType>0</ValueType> <Value></Value> <IncrementStart>1</IncrementStart> <IncrementChange>1</IncrementChange> <Temporary>0</Temporary> <Units>2</Units> <SDType>0</SDType> <SD>0</SD> <SDColumn></SDColumn> <RemoveColumn>0</RemoveColumn> <KeepOriginals>1</KeepOriginals> <UseValue>1</UseValue> <Precision>-1</Precision> <FloatingPointDisplay>Default</FloatingPointDisplay> </Rule> </RulesList> y{KBI,MlogPb__BIOFOCUS__logP_7f386de520a9b5ed36f3f316692b6bb1 __BIOFOCUS__logP(logP(octanol/water) tContinuous model predicting logP based upon in vitro data b__BIOFOCUS__logP_7f386de520a9b5ed36f3f316692b6bb11\ @<RulesList> <Rule> <Column>logP</Column> <UserCreated>0</UserCreated> <ValueType>0</ValueType> <Value></Value> <IncrementStart>1</IncrementStart> <IncrementChange>1</IncrementChange> <Temporary>0</Temporary> <Units>7</Units> <SDType>0</SDType> <SD>0</SD> <SDColumn></SDColumn> <RemoveColumn>0</RemoveColumn> <KeepOriginals>1</KeepOriginals> <UseValue>1</UseValue> <Precision>-1</Precision> <FloatingPointDisplay>Default</FloatingPointDisplay> </Rule> </RulesList> {)UBPN<logDh__BIOFOCUS__logD7$4_5a43f66b6964b1caea109e8162db5565&__BIOFOCUS__logD7$4logD at pH 7.4Continuous model predicting logD at pH 7.4 based on in vitro datah__BIOFOCUS__logD7$4_5a43f66b6964b1caea109e8162db5565Bff`@<RulesList> <Rule> <Column>logD</Column> <UserCreated>0</UserCreated> <ValueType>0</ValueType> <Value></Value> <IncrementStart>1</IncrementStart> <IncrementChange>1</IncrementChange> <Temporary>0</Temporary> <Units>7</Units> <SDType>0</SDType> <SD>0</SD> <SDColumn></SDColumn> <RemoveColumn>0</RemoveColumn> <KeepOriginals>1</KeepOriginals> <UseValue>1</UseValue> <Precision>-1</Precision> <FloatingPointDisplay>Default</FloatingPointDisplay> </Rule> </RulesList> T?J.8nqb2C9 pKi,__BIOFOCUS__2C9_pKi_RF&__BIOFOCUS__2C9_pKi4Cytochrome P450 CYP2C9 pKiContinuous model predicting 2C9 affinity (pKi) based upon in vitro data,__BIOFOCUS__2C9_pKi_RF,@@@4A@<RulesList> <Rule> <Column>2C9 pKi</Column> <UserCreated>0</UserCreated> <ValueType>0</ValueType> <Value></Value> <IncrementStart>1</IncrementStart> <IncrementChange>1</IncrementChange> <Temporary>0</Temporary> <Units>1</Units> <SDType>0</SDType> <SD>0</SD> <SDColumn></SDColumn> <RemoveColumn>0</RemoveColumn> <KeepOriginals>1</KeepOriginals> <UseValue>1</UseValue> <Precision>-1</Precision> <FloatingPointDisplay>Default</FloatingPointDisplay> </Rule> </RulesList> Vd J mhERG pIC50n__BIOFOCUS__hERG_pIC50_8141cd003b19c56eae1efbf895eb98f7,__BIOFOCUS__hERG_pIC50hERG pIC50zHuman Ether-a-Go-Go related gene potassium channel inhibitionn__BIOFOCUS__hERG_pIC50_8141cd003b19c56eae1efbf895eb98f7@@"<RulesList> <Rule> <Column>hERG pIC50</Column> <UserCreated>0</UserCreated> <ValueType>0</ValueType> <Value></Value> <IncrementStart>1</IncrementStart> <IncrementChange>1</IncrementChange> <Temporary>0</Temporary> <Units>5</Units> <SDType>0</SDType> <SD>0</SD> <SDColumn></SDColumn> <RemoveColumn>0</RemoveColumn> <KeepOriginals>1</KeepOriginals> <UseValue>1</UseValue> <Precision>-1</Precision> <FloatingPointDisplay>Default</FloatingPointDisplay> </Rule> </RulesList> `CMrzdr0BBB log([brain]:[blood])2__BIOFOCUS__BBB_cont_2012(__BIOFOCUS__BBB_cont>Blood-brain barrier penetrationContinuous model predicting log([brain]:[blood]) based on in vivo data.2__BIOFOCUS__BBB_cont_201233@? = <RulesList> <Rule> <Column>BBB log([brain]:[blood])</Column> <UserCreated>0</UserCreated> <ValueType>0</ValueType> <Value></Value> <IncrementStart>1</IncrementStart> <IncrementChange>1</IncrementChange> <Temporary>0</Temporary> <Units>7</Units> <SDType>0</SDType> <SD>0</SD> <SDColumn></SDColumn> <RemoveColumn>0</RemoveColumn> <KeepOriginals>1</KeepOriginals> <UseValue>1</UseValue> <Precision>-1</Precision> <FloatingPointDisplay>Default</FloatingPointDisplay> </Rule> </RulesList> _7XWH!uFBBB category4__BIOFOCUS_BBB_category_RF0__BIOFOCUS__BBB_category>Blood-brain barrier penetration<Two class category model based upon classified log([brain]:[blood]) in vivo data: class ' + ' indicates a ratio >= -0.5 class ' - ' indicates a ratio < -0.54__BIOFOCUS_BBB_category_RF~R<RulesList> <Rule> <Column>BBB category</Column> <UserCreated>0</UserCreated> <UseDefault>1</UseDefault> <Categories> <Category Name="-" Index="0"/> <Category Name="+" Index="1"/> </Categories> </Rule> </RulesList> MnH:wx#.HIA categoryr__BIOFOCUS__HIA_category_54a507608dba628340d32f1dfa4a150a0__BIOFOCUS__HIA_category8Human intestinal absorption Two class category model based upon human in vivo data: class ' + ' indicates absorption >= 30% class ' - ' indicates absorption < 30% r__BIOFOCUS__HIA_category_54a507608dba628340d32f1dfa4a150a!<RulesList> <Rule> <Column>HIA category</Column> <UserCreated>0</UserCreated> <UseDefault>1</UseDefault> <Categories> <Category Name="-" Index="0"/> <Category Name="+" Index="1"/> </Categories> </Rule> </RulesList> 1BJg3Z-P-gp category8__BIOFOCUS__P$gp_category_RF2__BIOFOCUS__P-gp_category0P-glycoprotein substrateTwo class category model based upon in vitro data: class 'yes' indicates a substrate class 'no' indicates a non-substrate8__BIOFOCUS__P$gp_category_RFe<RulesList> <Rule> <Column>P-gp category</Column> <UserCreated>0</UserCreated> <UseDefault>1</UseDefault> <Categories> <Category Name="no" Index="0"/> <Category Name="yes" Index="1"/> </Categories> </Rule> </RulesList> 7 Nz۴*2D6 affinity category__BIOFOCUS__2D6_affinity_category_3a5194f7bd1fe7cfddb3513664be5064B__BIOFOCUS__2D6_affinity_category@Cytochrome P450 CYP2D6 affinity Four class category model based upon in vitro data: class 'low' indicates a pKi < 5 class 'medium' indicates a pKi in the range 5 - 6 class 'high' indicates a pKi in the range 6 - 7 class 'very high' indicates a pKi > 7 __BIOFOCUS__2D6_affinity_category_3a5194f7bd1fe7cfddb3513664be5064<RulesList> <Rule> <Column>2D6 affinity category</Column> <UserCreated>0</UserCreated> <UseDefault>1</UseDefault> <Categories> <Category Name="low" Index="0"/> <Category Name="medium" Index="1"/> <Category Name="high" Index="2"/> <Category Name="very high" Index="3"/> </Categories> </Rule> </RulesList> ֬L":PPB90 categoryx__BIOFOCUS__PPB_90Thresh_RF_de67fc13b77ccb91aba1844be90d89ff6__BIOFOCUS__PPB_90Thresh_RFNPlasma protein binding (90% threshold) tTwo class category model based upon in vitro data: class 'low' indicates < 90% of compound bound to plasma protein class 'high' indicates >= 90% of compound bound to plasma protein x__BIOFOCUS__PPB_90Thresh_RF_de67fc13b77ccb91aba1844be90d89ffJ<RulesList> <Rule> <Column>PPB90 category</Column> <UserCreated>0</UserCreated> <UseDefault>1</UseDefault> <Categories> <Category Name="low" Index="0"/> <Category Name="high" Index="1"/> </Categories> </Rule> </RulesList> svD[\v@MW^__BIOFOCUS__MW_74e6485ded93311b57808ad30b2468b3__BIOFOCUS__MW Molecular Weight.Relative molecular mass^__BIOFOCUS__MW_74e6485ded93311b57808ad30b2468b3m @<RulesList> <Rule> <Column>MW</Column> <UserCreated>0</UserCreated> <ValueType>0</ValueType> <Value></Value> <IncrementStart>1</IncrementStart> <IncrementChange>1</IncrementChange> <Temporary>0</Temporary> <Units>0</Units> <SDType>0</SDType> <SD>0</SD> <SDColumn></SDColumn> <RemoveColumn>0</RemoveColumn> <KeepOriginals>1</KeepOriginals> <UseValue>1</UseValue> <Precision>-1</Precision> <FloatingPointDisplay>Default</FloatingPointDisplay> </Rule> </RulesList> aTE­Vٲ"HBD`__BIOFOCUS__HBD_75d53ae5cf8645d4a8e47d2bf47e8f0c__BIOFOCUS__HBD2Hydrogen bond donor countDCount of NH, NH2, nH and OH groups`__BIOFOCUS__HBD_75d53ae5cf8645d4a8e47d2bf47e8f0c]]@$<RulesList> <Rule> <Column>HBD</Column> <UserCreated>0</UserCreated> <ValueType>0</ValueType> <Value></Value> <IncrementStart>1</IncrementStart> <IncrementChange>1</IncrementChange> <Temporary>0</Temporary> <Units>0</Units> <SDType>0</SDType> <SD>0</SD> <SDColumn></SDColumn> <RemoveColumn>0</RemoveColumn> <KeepOriginals>1</KeepOriginals> <UseValue>1</UseValue> <Precision>-1</Precision> <FloatingPointDisplay>Default</FloatingPointDisplay> </Rule> </RulesList> ӼW0HiPHBA`__BIOFOCUS__hba_03322d99413954aca66077b9261c6847__BIOFOCUS__hba8Hydrogen bond acceptor count Count of O and N`__BIOFOCUS__hba_03322d99413954aca66077b9261c6847{ @0<RulesList> <Rule> <Column>HBA</Column> <UserCreated>0</UserCreated> <ValueType>0</ValueType> <Value></Value> <IncrementStart>1</IncrementStart> <IncrementChange>1</IncrementChange> <Temporary>0</Temporary> <Units>0</Units> <SDType>0</SDType> <SD>0</SD> <SDColumn></SDColumn> <RemoveColumn>0</RemoveColumn> <KeepOriginals>1</KeepOriginals> <UseValue>1</UseValue> <Precision>-1</Precision> <FloatingPointDisplay>Default</FloatingPointDisplay> </Rule> </RulesList> $J@=TPSAd__BIOFOCUS__PSANO_961b77a2a38cfc247df40dd8558a90cc"__BIOFOCUS__PSANO<Topological Polar Surface AreabTopological Polar Surface Area based upon N and Od__BIOFOCUS__PSANO_961b77a2a38cfc247df40dd8558a90cc'@o@<RulesList> <Rule> <Column>TPSA</Column> <UserCreated>0</UserCreated> <ValueType>0</ValueType> <Value></Value> <IncrementStart>1</IncrementStart> <IncrementChange>1</IncrementChange> <Temporary>0</Temporary> <Units>0</Units> <SDType>0</SDType> <SD>0</SD> <SDColumn></SDColumn> <RemoveColumn>0</RemoveColumn> <KeepOriginals>1</KeepOriginals> <UseValue>1</UseValue> <Precision>-1</Precision> <FloatingPointDisplay>Default</FloatingPointDisplay> </Rule> </RulesList> t]fŜFHw Flexibilityb__BIOFOCUS__FLEX_40efead18392c900847b50bfaa3160cb __BIOFOCUS__FLEX"Flexibility indexLProportion of bonds that are rotatableb__BIOFOCUS__FLEX_40efead18392c900847b50bfaa3160cbSI@4<RulesList> <Rule> <Column>Flexibility</Column> <UserCreated>0</UserCreated> <ValueType>0</ValueType> <Value></Value> <IncrementStart>1</IncrementStart> <IncrementChange>1</IncrementChange> <Temporary>0</Temporary> <Units>0</Units> <SDType>0</SDType> <SD>0</SD> <SDColumn></SDColumn> <RemoveColumn>0</RemoveColumn> <KeepOriginals>1</KeepOriginals> <UseValue>1</UseValue> <Precision>-1</Precision> <FloatingPointDisplay>Default</FloatingPointDisplay> </Rule> </RulesList> %{gGMem{Rotatable Bondsj__BIOFOCUS__ROTBONDS_c290a49b5bb4e576a4ab69d9349996ff(__BIOFOCUS__ROTBONDS2Number of rotatable bondsDNumber of bonds that are rotatablej__BIOFOCUS__ROTBONDS_c290a49b5bb4e576a4ab69d9349996ffQe@4<RulesList> <Rule> <Column>Rotatable Bonds</Column> <UserCreated>0</UserCreated> <ValueType>0</ValueType> <Value></Value> <IncrementStart>1</IncrementStart> <IncrementChange>1</IncrementChange> <Temporary>0</Temporary> <Units>0</Units> <SDType>0</SDType> <SD>0</SD> <SDColumn></SDColumn> <RemoveColumn>0</RemoveColumn> <KeepOriginals>1</KeepOriginals> <UseValue>1</UseValue> <Precision>-1</Precision> <FloatingPointDisplay>Default</FloatingPointDisplay> </Rule> </RulesList> s7B 'w_ >3@Z?j(0^@ff`?33@$H܏esmc= Buspirone%{gGMem{????????@*5AS@6@I)`?Ь9@^@C .rp ?:ƒBoђ]@SOz?#1?(XWXW?( @...@@9*@?7 Nz۴?o?xU?xU?xU?xU?o?o?xU"low" = 0.0555556;"medium" = 0.222222;"high" = 0.666667;"very high" = 0.0555556;8JIK}(l(9d3?@?⥀?7DT`_ `?7?⥀?@Ez ǀq?u ?, NsN?, Ƶ@@@@l?ߜ_7XWH!uFz?zz?z?zzz?zRzR?z?z?zR,"-" = 0.57;"+" = 0.43;8svD[\v@@/@@(@(@(@(@(@(@(@(@(@/@@,p@(@(@(@(@,p@(@(@,p@(@(@(@,p@(@(@(@,p@x`t]fŜFHw ?????????1v[BB#5XO=C1CC2(CCCC2)CC(=O)N1CCCCN3CCN(CC3)c4ncccn4!1Y%$<f(TJ`"\`hb%ǡ9Pp􋍘) 0oA}dc  N0UOF0R"A(L! jp(,/R  OSA$3c3b87b9-55d2-4cc7-bdb2-c638efbd712459O111 2.165063620C211.5 1.299038050C312.5 1.299038050C413 0.4330126940C5 13.5877857 1.242029670C6 14.5388422 0.9330127240C7 14.5388422 -0.06698731330C8 13.5877857 -0.3760042790C912.5 -0.4330126940 C1011.5 -0.4330126940 O1111 -1.299038050 N1211 0.4330126940 C1310 0.4330126940 C149.5 -0.4330126640C158.5 -0.4330126640C168 -1.299038050N177 -1.299038050C186.5 -0.4330126640C195.5 -0.4330126640N205 -1.299038050C215.5 -2.165063620C226.5 -2.165063620C234 -1.299038050N243.5 -2.165063620C252.5 -2.165063620C262 -1.299037930C272.5 -0.4330126350N283.5 -0.4330126350H29 13.0826092 1.511090520H30 12.3923378 1.909618850H31 13.839963 1.808427810H32 13.0508499 1.552029850 H33 15.1554461 0.868205070!H34 14.6677465 1.539464240"H35 14.6677465 -0.6734387870#H36 15.1554461-0.002179672710$H37 13.0508499 -0.68600440%H38 13.839963 -0.9424024220&H39 12.3923378 -1.043593530'H40 13.0826092 -0.6450651880(H41 10.1076622 1.043593530)H42 9.41739082 0.6450651880*H43 9.3923378 -1.043593530+H44 10.0826092 -0.6450651880,H45 8.6076622 0.1775681230-H46 7.91739035 -0.2209601550.H47 7.89233828 -1.909618850/H48 8.58260918 -1.5110905200H49 7.08260965 -0.22096015501H50 6.39233828 0.17756813802H51 5.60766172 0.17756815303H52 4.91739035 -0.2209601404H53 4.91739035 -2.3771159605H54 5.60766172 -2.7756445406H55 6.39233828 -2.7756445407H56 7.08260965 -2.3771159608H57 2.19000006 -2.7019994309H581.38 -1.299037930:H59 2.19000006 0.10392312062           !" #!$"%#&$'%(&)'* (+ ), *- +.,/-0.1/2031425364758697:8;9<:=0H00000000-0000-0000-0000-000000000000y{KBI,M6 ?`U@??Ĺ?_?`?GpU@?`6 ?@??M?5 ?Ӏ?D@?D@?w0@?D@?D@? (?>3`?>3`?>3`(@?ح$J@=@!@"@"@!? ? ? ? ? ? ? ? ? @"΁@/ɀ@/ɀ@/ɀ@/ɀ@Qh{)UBPN<Al`?z ?"?{@?6& ?t?ɹB`Ô`??ҩ?@?H?ӂ0@`??k]`?T?k]`??ߔ? |?sȠ?ۀ?sȠ? |?䛛``CMrzdrf`<35x @??HhA:)۠97 ?@?0?J?>@?h?64# # ?ou# # }ϛ`?_D`ϛ`?ə?bT?J.8nqbQ?s`____`?sQ?@?~?nK?nK?~?q?q??q?q?Ӏ?`?N,?J|?N,?`@S?=ӼW0HiP???????@1BJg3Z-?z?zRzzzzzRzzz2"no" = 0.81;"yes" = 0.19;8֬L":? =? =?(?G??R?R??(? =? =?33?z? =? =?z?G?P?P? =?P?P?ə?R?z??z?R6"low" = 0.23;"high" = 0.77;8MnH:wx#.?ݝ?ݝ?ݝ?ݝ>"-" = 0.0371353;"+" = 0.962865;8発KxBϚ=v?ۑ?@?&% 2C9 pKi?!*2D6 affinity category?@(5HT1a affinity (pKi)?NBBB category?0BBB log([brain]:[blood])?펅HIA category?lP-gp category?€PPB90 category?nhERG pIC50?Y logP?`logS?`aTE­Vٲ"Vd J mTU?ϗ?w?K??? w?3@Z?j(0^@G ?33@$H܏esmc=S10-14%{gGMem{????????@*5AS@6c+J19 P@?:`?gP`?`j ? R6?3H?و ?Y/Fޏ F?Y/WZ`Z`Z`Z`Z`@xP?7 Nz۴?o?xU?xU?xU?xU?o?o?o"low" = 0.0555556;"medium" = 0.222222;"high" = 0.666667;"very high" = 0.0555556;8JIK}(l(9d3?­> ?g`j9\f3?8SB j9\?g`?­> cf S @??Aŀ.`ŀ?A5 4 ڀڀڀ 4 ?\ ?ߜ_7XWH!uFRz?zzR?z?z?z?z?z("-" = 0.3;"+" = 0.7;8svD[\v@@/@@(@(@(@(@(@(@(@(@(@/@@,p@(@(@(@(@,p@(@(@,p@(@(@(@(@(@(@(@(@wvt]fŜFHw ?????????1v[BB#5XO=C1CC2(CCCC2)CC(=O)N1CCCCN3CCN(CC3)c4ccccc4!1pfJ0"Ypb"%A!;R8Xk jAx왑" q1]@0r!%.*U( VoI OSA$e89c455c-8d9f-414a-b386-f825f2e1b40e61O111 2.165063620C211.5 1.299038050C312.5 1.299038050C413 0.4330126940C5 13.5877857 1.242029670C6 14.5388422 0.9330127240C7 14.5388422 -0.06698731330C8 13.5877857 -0.3760042790C912.5 -0.4330126940 C1011.5 -0.4330126940 O1111 -1.299038050 N1211 0.4330126940 C1310 0.4330127240 C149.5 -0.4330126640C158.5 -0.4330126640C168 -1.299038050N177 -1.299038050C186.5 -0.4330126640C195.5 -0.4330126350N205 -1.299038050C215.5 -2.165063620C226.5 -2.165063620C234 -1.299037930C243.5 -0.4330126350C252.5 -0.4330126350C262 -1.299037930C272.5 -2.165063620C283.5 -2.165063620H29 13.0826092 1.511090520H30 12.3923378 1.909618850H31 13.839963 1.808427810H32 13.0508499 1.552029850 H33 15.1554461 0.868205070!H34 14.6677465 1.539464240"H35 14.6677465 -0.6734387870#H36 15.1554461-0.002179675970$H37 13.0508499 -0.68600440%H38 13.839963 -0.9424024220&H39 12.3923378 -1.043593530'H40 13.0826092 -0.6450651880(H41 10.1076622 1.043593530)H42 9.41739082 0.6450651880*H43 9.3923378 -1.043593530+H44 10.0826092 -0.6450651880,H45 8.6076622 0.1775681380-H46 7.91739035 -0.2209601550.H47 7.89233828 -1.909618850/H48 8.58260918 -1.5110905200H49 7.08260965 -0.2209601401H50 6.39233828 0.17756815302H51 5.60766172 0.17756815303H52 4.91739035 -0.22096012504H53 4.91739035 -2.3771159605H54 5.60766172 -2.7756445406H55 6.39233828 -2.7756445407H56 7.08260965 -2.3771159608H57 3.80999994 0.1039231209H58 2.19000006 0.1039231270:H591.38 -1.299037930;H60 2.19000006 -2.701999430<H61 3.80999994 -2.70199943064           !" #!$"%#&$'%(&)'* (+ ), *- +.,/-0.1/2031425364758697:8;9<:=;><?0H00000000-0000-0000-0000-000000000000y{KBI,Mҁ?@d ?ۇ?ζ ? @?aj`d?@ҁ??W?5L?"`?l?=B?=B?e ?=B?=B?q@?ǘF?ǘF?ǘF?ǘF?ǘF@U؀?ح$J@=@!@"@"@!? ? ? ? ? ? ? ? ? ? @E{)UBPN< ?^`?e`?6`?L`?7 ?ȗX ˀ@|@R``?ՏQ?ը?X?A ?EY?Ɲzt?Ɲz?EY?o ???%???`CMrzdr 1_]ؠ?nS?lg?pp bW*]?>܀?2?u?ڠ?"99js"99z?BA@`L`L`L?BA@? ?bT?J.8nqb?S?? ?9? ?Q4?Q4? ? ??S\ ?<8???<8`?P?P??P?P?ɼ?!4?!4?!4?!4?!4@?=ӼW0HiP?????@1BJg3Z-zzzRzzRzz."no" = 0.8;"yes" = 0.2;8֬L":??z?Q?T?z?z?T?z??z?z???z???zzzz6"low" = 0.39;"high" = 0.61;8MnH:wx#.?ݝ?ݝ?ݝ?ݝ>"-" = 0.0371353;"+" = 0.962865;8発KxBϚ=v?ѕ;@?2`?U` 2C9 pKi?*2D6 affinity category?@(5HT1a affinity (pKi)?癠BBB category?Q0BBB log([brain]:[blood])?PHIA category?lP-gp category?PPB90 category?hERG pIC50?`logP?w logS?@aTE­Vٲ"Vd J m`Wfؠ? ?y0?@?ѝ`?|?`?g:`&`v?· ?f?ه ?Ҿ??͋?K`??`??K`?-?`? @?HL? @?`@?@1Iڳ 3@Z?j(0^@?33@$H܏esmc=S6-31%{gGMem{??????@*5AS@6Q>C @@?b@?d ?xl > ??? a_`?~T yzyzyzyzyz@?7 Nz۴? `? `? `?o?xU?xU?o@@?o@@?xU"low" = 0.0555556;"medium" = 0.222222;"high" = 0.666667;"very high" = 0.0555556;8JIK}(l(9d3?© ?nz@j` 0`\ nz??© ?Z IF@?s?9`q.`R?Út@K[ [ [ K?j ?ߜ_7XWH!uFHz?z?zzH?z?zQ?z?z?z?z?z?z,"-" = 0.35;"+" = 0.65;8svD[\v@@/@@(@(@(@(@(@(@(@(@(@/@@,p@(@(@,p@(@(@,p@(@(@(@(@(@(@(@(@v7`t]fŜFHw ???????`v[BB#5TO=C1CC2(CCCC2)CC(=O)N1CCN3CCN(CC3)c4ccccc4!1p􀾈f\"YP "%C1j8Xi bE8  Hq 5U P0v!%/* U( Vo(A OSA$976493b1-b5c7-4fb1-a888-4480e3d0709755O19.5 2.165063380C210 1.299038050C311 1.299038050C411.5 0.4330126940C5 12.0877857 1.242029670C6 13.0388422 0.9330127240C7 13.0388422 -0.06698729840C8 12.0877857 -0.3760043080C911 -0.4330126940 C1010 -0.4330126940 O119.5 -1.299038050 N129.5 0.4330126940 C138.5 0.4330126940 C148 -0.4330126940N157 -0.4330126940C166.5 0.4330126940C175.5 0.4330126940N185 -0.4330126940C195.5 -1.299038050C206.5 -1.299038050C214 -0.4330126940C223.5 0.4330126940C232.5 0.4330126940C242 -0.4330126940C252.5 -1.299038050C263.5 -1.299038050H27 11.5826092 1.511090640H28 10.8923378 1.909618970H29 12.339963 1.808427930H30 11.5508499 1.552029850H31 13.6554461 0.868205070H32 13.1677465 1.539464240 H33 13.1677465 -0.6734387870!H34 13.6554461-0.002179642910"H35 11.5508499 -0.68600440#H36 12.339963 -0.9424024820$H37 10.8923378 -1.043593530%H38 11.5826092 -0.6450651880&H39 8.6076622 1.043593530'H40 7.91739035 0.6450651880(H41 7.89233828 -1.043593530)H42 8.58260918 -0.6450651880*H43 7.08260965 0.6450651880+H44 6.39233828 1.043593530,H45 5.60766172 1.043593530-H46 4.91739035 0.6450651880.H47 4.91739035 -1.511090520/H48 5.60766172 -1.9096188500H49 6.39233828 -1.9096188501H50 7.08260965 -1.5110905202H51 3.80999994 0.96994847103H52 2.19000006 0.96994847104H531.38 -0.43301269405H54 2.19000006 -1.8359737406H55 3.80999994 -1.83597374058           !" #!$"%#&$'%( &) '* (+ ),*-+.,/-0.1/2031425364758690H00000000-0000-0000-0000-000000000000y{KBI,M(?64  ??]?t ?i4 ?6(?H ?w ?€j?U݀?U݀?ǽ| ?o?o??x+`?x+`?x+`?x+`?x+`@?ح$J@=@!@"@"@!? ? ? ? ? ? ? ? ? ? @E{)UBPN<͊X0`?-?d`?KA?ʠ?9?Ȧ`]Q0r Y`V?Ӿ?Ԩà(@?@?i!`9? ?E?g?2: ?8?曀?8?2: ?_b`CMrzdr `LYb?hk@~?vo?u"@?k _``Y ?k?p{?@YYq__&?:@:@:@??Ř?bT?J.8nqb?e/?sk5?Ҁ?7h7h?k5?s?e/@ww??8?????@?=ӼW0HiP?????@1BJg3Z-zzzzzRzzzzzRRRzzzzzzzzzzz2"no" = 0.74;"yes" = 0.26;8֬L":?R?R?z?z@?? =? =??z?R?R? =?(?(??z?z? =?z?z??z?z?z?z?z6"low" = 0.49;"high" = 0.51;8MnH:wx#.?ݝ?ݝ>"-" = 0.0371353;"+" = 0.962865;8発KxBϚ=v?%@?@? 2C9 pKi?*2D6 affinity category?@(5HT1a affinity (pKi)?BBB category? @0BBB log([brain]:[blood])?'HIA category?lP-gp category? @PPB90 category?jhERG pIC50? k`logP?@logS?`? ϡ~?@??؏-@?[?7?@?$@?J`? ?3@? ?) ?R) ?) ? @?84AN}$Q >3@Z?j(0^@!Ǯ ?33@$H܏esmc=S6-48%{gGMem{??????@*5AS@6ڛX;}`;}`;}`;}`%K<?fK?@?ܼn``B}R@Z`ͫ:CV!uw?P2)?=@? q ?@?fK@ ?7 Nz۴?o?oÎ9Î9?o?xU?xU?o? `? `? `Î9Î9"low" = 0.0555556;"medium" = 0.222222;"high" = 0.666667;"very high" = 0.0555556;8JIK}(l(9d3=\\\69`b??زA @"-" = 0.0371353;"+" = 0.962865;8発KxBϚ=v?Y?0m ?ҁ? 2C9 pKi?㬠*2D6 affinity category?@(5HT1a affinity (pKi)?BBB category?1'0BBB log([brain]:[blood])?HIA category?lP-gp category?`PPB90 category?V hERG pIC50?䍽logP?AlogS?gaTE­Vٲ"Vd J m?U ? ?b?w?P? ?Ӹ??@?՛?j`? ?؃`?x=)@??tH?`?!?3^??- 1@?՛?@@/?b aBWc| >3@Z?j(0^@ ?33@$H܏esmc=S10-5%{gGMem{????????@*5AS@6@\3`3οKb4~,@*@XLy=l`ī? ?@?۠@;@?۠XРd`d`d`Р@ ?7 Nz۴?xU?s?s?s?o?o?o?s"low" = 0.0555556;"medium" = 0.222222;"high" = 0.666667;"very high" = 0.0555556;8JIK}(l(9d3D`* Pg"@H@?/(? `?d,s$ /U1o`?d,?/(? `?r-?6@:~@:~?6@@ mf mf mf ?@?ߜ_7XWH!uFzzz?zzzzzzzzzz,"-" = 0.58;"+" = 0.42;8svD[\v@@(@(@(@(@(@,p@(@/@@(@(@(@(@(@(@(@(@/@@,p@(@(@,p@(@(@(@,p@(@(@(@,p@xt]fŜFHw ?????????v[BB#5^CC(CCCN1C(=O)CC2(CCCC2)CC1=O)N3CCN(CC3)c4ncccn4!1Y%$=f(TJ`"\`hb%ǡ9Pp􋍘) 0oA}dc  N0UOF0R"A(L! jt(,/R* 'OSA$d1cbecd7-7a6a-4508-9cc7-9e77c967bf4262C18.5 -2.165063620C28 -1.299038050C38.5 -0.4330126640C49.5 -0.4330126640C510 0.4330126940N611 0.4330126940C711.5 1.299038050O811 2.165063620C912.5 1.299038050 C1013 0.4330126940 C11 13.5877857 1.242029670 C12 14.5388422 0.9330127240 C13 14.5388422 -0.06698731330 C14 13.5877857 -0.3760042790C1512.5 -0.4330126940C1611.5 -0.4330126940O1711 -1.299038050N187 -1.299038050C196.5 -0.4330126640C205.5 -0.4330126640N215 -1.299038050C225.5 -2.165063620C236.5 -2.165063620C244 -1.299038050N253.5 -0.4330126350C262.5 -0.4330126350C272 -1.299037930C282.5 -2.165063620N293.5 -2.165063620H30 7.96306419 -2.475063560H31 8.81000042 -2.701999430H32 9.03693581 -1.855063680 H33 7.69000006 -1.835973620!H34 8.6076622 0.1775681230"H35 7.91739035 -0.2209601550#H36 9.3923378 -1.043593530$H37 10.0826092 -0.6450651880%H38 10.1076622 1.043593530&H39 9.41739082 0.6450651880'H40 13.0826092 1.511090520(H41 12.3923378 1.909618850)H42 13.839963 1.808427810*H43 13.0508499 1.552029850+H44 15.1554461 0.868205070,H45 14.6677465 1.539464240-H46 14.6677465 -0.6734387870.H47 15.1554461-0.002179672710/H48 13.0508499 -0.686004400H49 13.839963 -0.94240242201H50 12.3923378 -1.0435935302H51 13.0826092 -0.64506518803H52 7.08260965 -0.22096015504H53 6.39233828 0.17756813805H54 5.60766172 0.17756815306H55 4.91739035 -0.2209601407H56 4.91739035 -2.3771159608H57 5.60766172 -2.7756445409H58 6.39233828 -2.775644540:H59 7.08260965 -2.377115960;H60 2.19000006 0.103923120<H611.38 -1.299037930=H62 2.19000006 -2.70199943065             !" #!$"%#&$'%(&)'*(+ ), *- +. ,/ -0 .1 /2 031425364758697:8;9<:=;><?=@0H00000000-0000-0000-0000-000000000000y{KBI,M?ʝ1 ???󝷀??Ÿ ? ѳq2@Ѣ@?4 ?Μ??7 q2@? ѳA?6?6?Ւ ?6?6?8@?GJ?GJ?GJ8@@%[?ح$J@=? ? ? @"@!@"@!? ? ? ? ? ? @"΁@/ɀ@/ɀ@/ɀ@/ɀ@Qh{)UBPN<?q?֯@?V`?ҕi?<`> `L?/ ?FҠ?^?&%@?k?ɤWK r ??????I|?#?KҠ?h@?KҠ?#?z`CMrzdr?;Bp ?j?%?B` u*?@?=1LQ|?v1 ?gg@ggѠ{:{Ѡ?i?bT?J.8nqb??v??? ?W`r ?ʀ?ʀr?N@? ?N@?M4?6??&0??6@p`?=ӼW0HiP???????@1BJg3Z-zzz?z?zz?zzzzzz?z?zzzzzzzzzzzzz2"no" = 0.71;"yes" = 0.29;8֬L":?z?z?R?R?z? >?R?z?ə?z? >? >?R?z?R?z?R?R?R?R?R?z?z?z?R?z?z2"low" = 0.4;"high" = 0.6;8MnH:wx#.?ݝ?ݝ?ݝ?ݝ>"-" = 0.0371353;"+" = 0.962865;8発KxBϚ=v?-@?G ?ϕ` 2C9 pKi?@*2D6 affinity category?@(5HT1a affinity (pKi)?`BBB category?0BBB log([brain]:[blood])?=@HIA category?lP-gp category?\(PPB90 category?(hERG pIC50?rclogP? logS?`/`aTE­Vٲ"Vd J m?z`? ? ?ٞo?z ?ed`?{ ?5 ?@??w?@?@[ω?\`?7?h?@?^c?h?@?7?B@?1?Vp@??Vp@?1@?y,ǒD۬eQFls! >3@Z?j(0^@`?33@$H܏esmc=S6-49%{gGMem{??????@*5AS@6 䕧@䕧@ c 䕧@??o ?-(?n0 =\ɨ `Z ?^݀?%= ?8M?o ?@Z?7 Nz۴?o?oÎ9Î9?o?o?o?o? `? `? `Î9Î9"low" = 0.0555556;"medium" = 0.222222;"high" = 0.666667;"very high" = 0.0555556;8JIK}(l(9d32 KôAÇg-?n<?1@`>??V{@?k@@|1 pR `?k@??V{@?n<g-? ?ߜ_7XWH!uF?z?z?z?z?z?zz?z =zzz =zz,"-" = 0.24;"+" = 0.76;8svD[\v@@A@(@(@(@(@A@(@(@,p@(@(@,p@(@(@,p@(@/@@(@(@(@(@(@(@(@(@/@@(@(@zt]fŜFHw ???????!v[BB#5dClc1ccc(Cl)c(c1)N2CCN(CCN3C(=O)CC4(CCCC4)CC3=O)CC2%3p fQ2\"YSƠ"%Cuj8XiHk  :Hq 5U"X0v)%/: U)Vo(m OSA$aba331b6-9d6b-4aab-b6b0-476ba7ba82ca55Cl12 -2.165063620C22.5 -1.299038050C32 -0.4330126940C42.5 0.4330126940C53.5 0.4330126940Cl64 1.299038050C74 -0.4330126940C83.5 -1.299038050N95 -0.4330126940 C105.5 0.4330126940 C116.5 0.4330126940 N127 -0.4330126940 C138 -0.4330126940 C148.5 0.4330126940N159.5 0.4330126940C1610 1.299038050O179.5 2.165063620C1811 1.299038050C1911.5 0.4330126940C20 12.0877857 1.242029670C21 13.0388422 0.9330127240C22 13.0388422 -0.06698729840C23 12.0877857 -0.3760042790C2411 -0.4330126940C2510 -0.4330126940O269.5 -1.299038050C276.5 -1.299038050C285.5 -1.299038050H291.38 -0.4330126940H30 2.19000006 0.9699484710H31 3.80999994 -1.835973980H32 5.60766172 1.043593530 H33 4.91739035 0.6450651880!H34 7.08260965 0.6450651880"H35 6.39233828 1.043593530#H36 7.89233828 -1.043593530$H37 8.58260918 -0.6450651880%H38 8.6076622 1.043593530&H39 7.91739035 0.6450651880'H40 11.5826092 1.511090520(H41 10.8923378 1.909618850)H42 12.339963 1.808427810*H43 11.5508499 1.552029850+H44 13.6554461 0.868205070,H45 13.1677465 1.539464240-H46 13.1677465 -0.6734387870.H47 13.6554461-0.002179653150/H48 11.5508499 -0.686004400H49 12.339963 -0.94240242201H50 10.8923378 -1.0435935302H51 11.5826092 -0.64506518803H52 6.39233828 -1.9096188504H53 7.08260965 -1.5110905205H54 4.91739035 -1.5110905206H55 5.60766172 -1.90961885058           ! " # !$ "% #& $' %( &)'*(+),*-+.,/-0.1/2031425364758690H00000000-0000-0000-0000-000000000000y{KBI,M?ҡ5?i@?DŽ,?DŽ,?i@?ҡ5?L?DŽ,?9??dV ?S?l??w Ġ6^`??#?̰U?A[@?w Ġ6??@ ?ح$J@=? ? ? ? ? ? ? ? @"@!@"@!? ? @E{)UBPN<???դ ? ??ѻ?@?Ԭg@?,?? ?ό@QFG5??w ?z=?.?Ɩ#?`;(@c*Cv??,@W `CMrzdr|s 11?k/|]@l`ZPZP? ?bR? KXZ9?K?Fx^v| ZPZP? ?bT?J.8nqb?v`?#P?߰?߰?߰?v`??߰? ???ɻ?ɻ?P?? ?b`?? ??b`?? ??@?=ӼW0HiP?????@1BJg3Z-?z?z?zz?zzzzzz2"no" = 0.52;"yes" = 0.48;8֬L":?z?R?z?z?R?z??z?z?z?z?R?z?z?z?R?z?R??R???R?R?R?z?z?z2"low" = 0.5;"high" = 0.5;8MnH:wx#.?ݝ?ݝ>"-" = 0.0371353;"+" = 0.962865;8発KxBϚ=v? 3?>S`?Ϋ 2C9 pKi? *2D6 affinity category?@(5HT1a affinity (pKi)?աBBB category?Ƨ0BBB log([brain]:[blood])?1eHIA category?lP-gp category?QPPB90 category?hERG pIC50?@logP?slogS?fV aTE­Vٲ"Vd J m?U? ??׆@?2??S?,?R?F^ ??D ?L??4^/??8?C ?l?`?X?`l` ??F^ @\S`?? }-Le˴Bt >3@Z?j(0^@ ?33@$H܏esmc=S6-17%{gGMem{ ??????????@*5AS@6 ? ?G`@p`p`p`p`C^L` `?8`?ШÀc(L @` @@?Ȯ@ @?@??k`z\?H?8` `@ ?7 Nz۴ 踋踋踋踋踋踋踋踋踋踋"low" = 0.545455;"medium" = 0.272727;"high" = 0.0909091;"very high" = 0.0909091;8JIK}(l(9d3 ?Z ?.`ÅÅ=`0M [@`?N?0y˛`? ?Ðo@b݀K%?-e@?r}?r}?-e@@ ?g c`b݀? ?Ðo@?N`@5_7XWH!uF zRRR?zRRzzzzzzzz,"-" = 0.57;"+" = 0.43;8svD[\v@ @(@/@@(@(@(@(@(@(@,p@(@(@,p@(@(@,p@(@/@@(@(@(@(@,p@(@(@(@/@@(@(@(@/@@(@(@{@t]fŜFHw  ???????????_ v[BB#5jCOc1ccccc1N2CCN(CCN3C(=O)CC4(CCN(CC4)C(=O)C)CC3=O)CC2!3qfS_;VY^ €"$C1jXx $bE  ( Hq4 5H63 7.08674574 0.6565165520?H64 6.39394426 1.050629730@H65 5.6092844 1.045620080AH66 4.92157125 0.642692864069           !" #!$"%#&$'%(&) '* (+ ), *- +. ,/ -0 .1/2031425364758697:8;9<:=;><?=@>A?B@CAD0H00000000-0000-0000-0000-000000000000y{KBI,M ??Ȇ?B,?$?$?$?$?e@?̜????7_@?&?!P@?$qU?Zn&@?K@???0b ???ٿ)`VN`?Pc"?Zn&@?$qU???x?ح$J@= @`@`@`? ? ? ? ? ? ? ? @"@!? ? ? @"@!@"@!? ? @RY{)UBPN< ?.k?V@?m?˳?v?ά??ϊ ?g`?.?(@?E ?A??>?d.?P?Fa?@@?Fa?P?7ܠv/?\p`R?(?.?c`CMrzdr ?}`[( ~=pGpG?j~}z@z@?ڣ@?=? ?ER`?@ۀ??6^@?+O@@}҄z@z@ѓ T?J.8nqb ?``|K?M?!?N?N@@@?!@?N?N@@?N?N@ˀ?=ӼW0HiP ????????@ 1BJg3Z- ?z?P?z?z?z?z?z?P?P?z?z?z?z?z?z?z?z?z?z?z?z?z?z?z?z2"no" = 0.47;"yes" = 0.53;8֬L": z?z?z?P?P?P?z?z?P?P?P?z?z?Q?z?P?z??z?z6"low" = 0.61;"high" = 0.39;8MnH:wx#. ?1?1("-" = 0.2;"+" = 0.8;8発KxBϚ=v?d@?Ř?Ν 2C9 pKi?ѝ@*2D6 affinity category?A*@(5HT1a affinity (pKi)?BBB category?0BBB log([brain]:[blood])?%HIA category?\@P-gp category?PPB90 category? hERG pIC50?zlogP?llogS?aTE­Vٲ" Vd J m ??3@Z?j(0^@"33@?33@$H܏esmc= BMY 7378%{gGMem{????????@*5AS@6?m( EEEE< l` ??C@@&8&I/Gf`9dO4 K7`2?%w? @?7 Nz۴?o?xU?xU?oÎ9Î9?o?xU?xU?o? `?֠@? `Î9Î9"low" = 0.0555556;"medium" = 0.222222;"high" = 0.666667;"very high" = 0.0555556;8JIK}(l(9d3?|(? Հ0=99`_?`?V `@?d?`xL*#?VT@ Ί@xL?d?`?`@S ?ߜ_7XWH!uF?R?z?Rzz?R?z =?R?R?z?z?z =zz?z?z?z?z?zzz?R?R("-" = 0.5;"+" = 0.5;8svD[\v@@(@/@@(@(@(@(@(@(@,p@(@(@,p@(@(@,p@(@/@@(@(@(@(@(@(@(@(@/@@(@(@x@t]fŜFHw ?????????ĥ)@v[BB#5XCOc1ccccc1N2CCN(CCN3C(=O)CC4(CCCC4)CC3=O)CC2!3qfS_;YP €"%C1jXy bE8  ( Hq4 5=U 4X0vm%U( hVohE {OSA$1b1ba1bc-d391-408d-b1c2-376ce7bc49f359C13.5 2.165063380O24 1.299038050C33.5 0.4330126940C42.5 0.4330126940C52 -0.4330126940C62.5 -1.299038050C73.5 -1.299038050C84 -0.4330126940N95 -0.4330126940 C105.5 0.4330126940 C116.5 0.4330126940 N127 -0.4330126940 C138 -0.4330126940 C148.5 0.4330126940N159.5 0.4330126940C1610 1.299038050O179.5 2.165063380C1811 1.299038050C1911.5 0.4330126940C20 12.0877857 1.242029670C21 13.0388422 0.9330127240C22 13.0388422 -0.06698729840C23 12.0877857 -0.3760043080C2411 -0.4330126940C2510 -0.4330126940O269.5 -1.299038050C276.5 -1.299038050C285.5 -1.299038050H29 4.03693581 2.475063560H30 3.19000006 2.701999190H31 2.96306419 1.855063440H32 2.19000006 0.9699484710 H331.38 -0.4330126940!H34 2.19000006 -1.835973740"H35 3.80999994 -1.835973740#H36 5.60766172 1.043593530$H37 4.91739035 0.6450651880%H38 7.08260965 0.6450651880&H39 6.39233828 1.043593530'H40 7.89233828 -1.043593530(H41 8.58260918 -0.6450651880)H42 8.6076622 1.043593530*H43 7.91739035 0.6450651880+H44 11.5826092 1.511090640,H45 10.8923378 1.909618970-H46 12.339963 1.808427930.H47 11.5508499 1.552029850/H48 13.6554461 0.8682050700H49 13.1677465 1.5394642401H50 13.1677465 -0.67343878702H51 13.6554461-0.0021796429103H52 11.5508499 -0.686004404H53 12.339963 -0.94240248205H54 10.8923378 -1.0435935306H55 11.5826092 -0.64506518807H56 6.39233828 -1.9096188508H57 7.08260965 -1.5110905209H58 4.91739035 -1.511090520:H59 5.60766172 -1.90961885062           !" #!$"% #& $' %( &) '* (+ ), *-+.,/-0.1/2031425364758697:8;9<:=0H00000000-0000-0000-0000-000000000000y{KBI,M?41?ȦJ?4?ƭ?ƭ?ƭ?ƭ?*<??@?@X??L ??"l"r@?g?q\`?8?=@"?"l?@?@@ ?ح$J@=@`@`@`? ? ? ? ? ? ? ? @"@!@"@!? ? @J {)UBPN<??٠?ZJ@?n{?Y'?y??9@?ŝ2 ?`z=?}`?א` ???8g?dz_?& ?ǫ@K@!{q ?`?ŝ2 ?g"`CMrzdrK?@ yNsf0f0?w @FwS {;{;?n?@?jwG w?M`?y6?d?ba@?.׀@-f{;{;?eT?J.8nqb?x???z?l&?l&?z?p?5?x?x/???{v?w`ftft?w?x?x@Ψ?=ӼW0HiP??????@1BJg3Z-RRzzzzRz?zzzz?zz?zzzzzz?z2"no" = 0.55;"yes" = 0.45;8֬L":?z???z?R?R?z? =??R?R?z?z?z?R?R?z??R??????R?z?R?R6"low" = 0.49;"high" = 0.51;8MnH:wx#.?ݝ?ݝ>"-" = 0.0371353;"+" = 0.962865;8発KxBϚ=v??m?̳` 2C9 pKi?*2D6 affinity category?@(5HT1a affinity (pKi)?BBB category?33@0BBB log([brain]:[blood])?%HIA category?lP-gp category?PPB90 category?jhERG pIC50?cv@logP?logS?' aTE­Vٲ"Vd J m?`?(\@??©?u?g?  ?P?Z@?s?r?-?a`??i`u@?W??[ ?/B`?I?XY?9tY`ϖg`?r?s@u? YCRJA9)g >3@Z?j(0^@!ff`?33@$H܏esmc=S10-20%{gGMem{??????????@*5AS@6?x'`%@%@%@%@V-f?4?|d@ x`KQ@(m`@c;`,i }4@G$@6k@?t\@??4f@I?7 Nz۴?o?o?o?o?o?xU?xU?xU?xU?o"low" = 0.0555556;"medium" = 0.222222;"high" = 0.666667;"very high" = 0.0555556;8JIK}(l(9d3?u]?: OO;3C uo?3B?'?M@<C;`> ?J ?ɠn c@ihn ?J ?ɠ?3Buo@?ߜ_7XWH!uF?zz?z?zPP?z?z?z?z?z?z?z?z?zzPzP?z?z,"-" = 0.46;"+" = 0.54;8svD[\v@@(@/@@(@(@(@(@(@(@,p@(@(@,p@(@(@(@(@,p@(@/@@(@(@(@(@(@(@(@(@/@@(@(@yt]fŜFHw ???????????&v[BB#5\COc1ccccc1N2CCN(CCCCN3C(=O)CC4(CCCC4)CC3=O)CC2!3qfSZ;Ypb€"%C!;RX{ jAx왙" > q41=]H0rm%U( hVoxM OSA$4695bfd2-ac47-4b58-bcbe-7b4d8572a32565C13.5 1.299038170O24 0.4330127540C33.5 -0.4330126350C42.5 -0.4330126350C52 -1.299037930C62.5 -2.165063620C73.5 -2.165063620C84 -1.299037930N95 -1.299038050 C105.5 -2.165063620 C116.5 -2.165063620 N127 -1.299038050 C138 -1.299038050 C148.5 -0.4330126640C159.5 -0.4330126640C1610 0.4330127240N1711 0.4330126940C1811.5 1.299038050O1911 2.165063620C2012.5 1.299038050C2113 0.4330126940C22 13.5877857 1.242029670C23 14.5388422 0.9330127240C24 14.5388422 -0.06698731330C25 13.5877857 -0.3760042790C2612.5 -0.4330126940C2711.5 -0.4330126940O2811 -1.299038050C296.5 -0.4330126640C305.5 -0.4330126350H31 4.03693581 1.609038230H32 3.19000006 1.835973980 H33 2.96306419 0.989038110!H34 2.19000006 0.1039231270"H351.38 -1.299037930#H36 2.19000006 -2.701999430$H37 3.80999994 -2.701999430%H38 4.91739035 -2.377115960&H39 5.60766172 -2.775644540'H40 6.39233828 -2.775644540(H41 7.08260965 -2.377115960)H42 7.89233828 -1.909618850*H43 8.58260918 -1.511090520+H44 8.6076622 0.1775681380,H45 7.91739035 -0.2209601550-H46 9.3923378 -1.043593530.H47 10.0826092 -0.6450651880/H48 10.1076622 1.0435935300H49 9.41739082 0.64506518801H50 13.0826092 1.5110905202H51 12.3923378 1.9096188503H52 13.839963 1.8084278104H53 13.0508499 1.5520298505H54 15.1554461 0.8682050706H55 14.6677465 1.5394642407H56 14.6677465 -0.67343878708H57 15.1554461-0.0021796759709H58 13.0508499 -0.68600440:H59 13.839963 -0.9424024220;H60 12.3923378 -1.043593530<H61 13.0826092 -0.6450651880=H62 7.08260965 -0.220960140>H63 6.39233828 0.1775681530?H64 5.60766172 0.1775681530@H65 4.91739035 -0.220960125068           !" #!$"%#&$' %( &) '* (+ ), *- +. ,/-0.1/2031425364758697:8;9<:=;><?=@>A?B@C0H00000000-0000-0000-0000-000000000000y{KBI,M?[@?Ɇ?? @?˾?˾?˾?˾?w5 ?̧?^F`?^F`L? ?? ?q??K^ڀΛ<?7?w?GI`? BΛ?K^ڀ?^F`?^F`@W5?ح$J@=@`@`@`? ? ? ? ? ? ? ? @"@!@"@!? ? @J {)UBPN<?KI ?^w?6?H!?X?x?E? h?>@? ƾx?Lk@??Ѩ?v&` 3(U?0#?N? `?lj??LJf?ѳ? ?>@?`CMrzdrm@?}s5@{k!5@k!5@?s3 tyG33? ?ࡠ?t?Nj?YZh? , ?qC?_ ?[y ?ĠXS33?ZYT?J.8nqb???"@?+?0?0?+?W? ??`?P?e?e?P? ? Po?f|?3 ?????f|? Po??@?=ӼW0HiP??????@1BJg3Z-Pzzz?zzzzzz?zz?z?zz2"no" = 0.64;"yes" = 0.36;8֬L":?z?P?z?z?z?z?z?z?P?P?z?z?P?P?z?z?z?Q?33?Q?P?Q?Q?Q?z?P?P6"low" = 0.47;"high" = 0.53;8MnH:wx#.?ݝ?ݝ?ݝ?ݝ>"-" = 0.0371353;"+" = 0.962865;8発KxBϚ=v? ?n?f 2C9 pKi?e@*2D6 affinity category?@(5HT1a affinity (pKi)?BBB category?l0BBB log([brain]:[blood])?%HIA category?lP-gp category?=pPPB90 category?웥hERG pIC50?D logP?﻽`logS? aTE­Vٲ"Vd J m?N&?IQ?os ?¤ ?o?`? Ġ?;?n(`?bx?B?L ? ?! ?(R?ؼ'?MĀ`F@? ?V?? ??T?g?B?bx@ ?x`yĹlL /ezJ >3@Z?j(0^@ =?33@$H܏esmc=S6-32%{gGMem{????????@*5AS@6?xo@R 1?Z?٠?`2w$@@ ʀ.@]Ij v.& SY?٠?٠?Z@?7 Nz۴?xU?xU?xU?xUÎ9Î9?o?xU?xU?o? `?֠@?֠@Î9Î9"low" = 0.0555556;"medium" = 0.222222;"high" = 0.666667;"very high" = 0.0555556;8JIK}(l(9d3?0?`3`p6@p3`څ ?_??ץO d ?@?@?'@?m5@]B 9S<?'@?@?@?_? @Հ?ߜ_7XWH!uF?RR?z?R?R?z?R?R?R?Rz?z?z?z?z?z?z?z?z?z?R?R("-" = 0.5;"+" = 0.5;8svD[\v@@(@/@@(@(@(@(@(@(@,p@(@(@,p@(@(@,p@(@/@@(@(@(@(@(@(@(@(@/@@(@(@x@t]fŜFHw ?????????ĥ)@v[BB#5\COc1ccc(cc1)N2CCN(CCN3C(=O)CC4(CCCC4)CC3=O)CC2!1pf5^";YP "%C1jXy bE8  ( Iq$J5=U X0v)%/NU8 B(VhA OSA$18028e75-bbf9-4387-b2d0-92b9813ce31e59C10.5 -1.299038050O21 -0.4330126940C32 -0.4330126940C42.5 -1.299038050C53.5 -1.299038050C64 -0.4330126940C73.5 0.4330126940C82.5 0.4330126940N95 -0.4330126940 C105.5 0.4330126940 C116.5 0.4330126940 N127 -0.4330126940 C138 -0.4330126940 C148.5 0.4330126940N159.5 0.4330126940C1610 1.299038050O179.5 2.165063380C1811 1.299038050C1911.5 0.4330126940C20 12.0877857 1.242029670C21 13.0388422 0.9330127240C22 13.0388422 -0.06698729840C23 12.0877857 -0.3760043080C2411 -0.4330126940C2510 -0.4330126940O269.5 -1.299038050C276.5 -1.299038050C285.5 -1.299038050H29 -0.0369358063 -0.9890379910H30 0.190000057 -1.835973740H31 1.03693581 -1.609038110H32 2.19000006 -1.835973740 H33 3.80999994 -1.835973740!H34 3.80999994 0.9699484710"H35 2.19000006 0.9699484710#H36 5.60766172 1.043593530$H37 4.91739035 0.6450651880%H38 7.08260918 0.6450651880&H39 6.39233828 1.043593530'H40 7.8923378 -1.043593530(H41 8.58260918 -0.6450651880)H42 8.6076622 1.043593530*H43 7.91739082 0.6450651880+H44 11.5826092 1.511090640,H45 10.8923378 1.909618970-H46 12.339963 1.808427930.H47 11.5508499 1.552029850/H48 13.6554461 0.8682050700H49 13.1677465 1.5394642401H50 13.1677465 -0.67343878702H51 13.6554461-0.0021796429103H52 11.5508499 -0.686004404H53 12.339963 -0.94240248205H54 10.8923378 -1.0435935306H55 11.5826092 -0.64506518807H56 6.39233828 -1.9096188508H57 7.08260918 -1.5110905209H58 4.91739035 -1.511090520:H59 5.60766172 -1.90961885062           !" #!$"% #& $' %( &) '* (+ ), *-+.,/-0.1/2031425364758697:8;9<:=0H00000000-0000-0000-0000-000000000000y{KBI,M?X?4?@?) ?) ?F?) ?) ?5`?%?%T`? ?y?U?yѓ@8l`]?V?}U?z?8l`?yѓ@?%?%@`?ح$J@=@`@`@`? ? ? ? ? ? ? ? @"@!@"@!? ? @J {)UBPN<??@??ѫ`?j`??j`?ѫ`?L`?!?Fo`?ѥ?"\@.?f`?%?ɲ ?fJ?ȷh@?H W?F?!?c`CMrzdr< xi?q'n?c6?q'ni?{@??T  [`Z`U?(`C ?ZI?U?X Aب?t?bT?J.8nqb?x???z?z??z?z?0?x?xun?@?@?t?prrp??x?x@?=ӼW0HiP??????@1BJg3Z-PPzzPzzz?zzzz?zz?zzPPzz?z."no" = 0.5;"yes" = 0.5;8֬L":??(?R?R? =?R?R? =?z?z?R?z?z? =??R?R?(? =?(?(? =?R??R?z?z6"low" = 0.56;"high" = 0.44;8MnH:wx#.?ݝ?ݝ?ݝ?ݝ?ݝ?ݝ>"-" = 0.0371353;"+" = 0.962865;8発KxBϚ=v?f?@?̌% 2C9 pKi?*2D6 affinity category?@(5HT1a affinity (pKi)?!BBB category?33@0BBB log([brain]:[blood])? fHIA category?lP-gp category?PPB90 category?/hERG pIC50?< logP?W`logS?@@aTE­Vٲ"Vd J m?^H?@?XZ?Ł#?E ?׾`?E ?Ł#?;??? ?9?ط?'πw]?BF ?Ķ`?@?E?q?Q ?H$ t@??@s?@U a 6mBN.H >3@Z?j(0^@`?33@$H܏esmc=S10-2%{gGMem{????????@*5AS@6M #`, , Jh@, , ?u??&@Г9t@Dd@$3 W Kf\= ?>`??u@ߎ?7 Nz۴?o?o?o?xU?xU?xU?xU?o"low" = 0.0555556;"medium" = 0.222222;"high" = 0.666667;"very high" = 0.0555556;8JIK}(l(9d3t3B` >Q@ç'Q@>3#Z5@?_?܍ N|6W͠?{?9@?Ôv5`L?`+?Ô?{?9@?_Z5@?>?ߜ_7XWH!uF?z?z?z?z?z?zzzzz,"-" = 0.27;"+" = 0.73;8svD[\v@@2`@(@(@(@(@(@(@,p@(@(@,p@(@(@(@(@,p@(@/@@(@(@(@(@(@(@(@(@/@@(@(@yOt]fŜFHw ?????????v[BB#5^Fc1ccc(cc1)N2CCN(CCCCN3C(=O)CC4(CCCC4)CC3=O)CC2!1pfJ0"Ypf"%i!S;R8Xk jGxّ #q5A0r!%.*U( (Vo&K OSA$a61e22d8-d140-406c-a4c0-c08ffeab948e61 F11 -1.299037930C22 -1.299037930C32.5 -2.165063620C43.5 -2.165063620C54 -1.299037930C63.5 -0.4330126350C72.5 -0.4330126350N85 -1.299038050C95.5 -2.165063620 C106.5 -2.165063620 N117 -1.299038050 C128 -1.299038050 C138.5 -0.4330126640 C149.5 -0.4330126640C1510 0.4330127240N1611 0.4330126940C1711.5 1.299038050O1811 2.165063620C1912.5 1.299038050C2013 0.4330126940C21 13.5877857 1.242029670C22 14.5388422 0.9330127240C23 14.5388422 -0.06698731330C24 13.5877857 -0.3760042790C2512.5 -0.4330126940C2611.5 -0.4330126940O2711 -1.299038050C286.5 -0.4330126640C295.5 -0.4330126350H30 2.19000006 -2.701999430H31 3.80999994 -2.701999430H32 3.80999994 0.103923120 H33 2.19000006 0.1039231270!H34 4.91739035 -2.377115960"H35 5.60766172 -2.775644540#H36 6.39233828 -2.775644540$H37 7.08260918 -2.377115960%H38 7.8923378 -1.909618850&H39 8.58260918 -1.511090520'H40 8.6076622 0.1775681380(H41 7.91739082 -0.2209601550)H42 9.3923378 -1.043593530*H43 10.0826092 -0.6450651880+H44 10.1076622 1.043593530,H45 9.41739082 0.6450651880-H46 13.0826092 1.511090520.H47 12.3923378 1.909618850/H48 13.839963 1.8084278100H49 13.0508499 1.5520298501H50 15.1554451 0.8682050702H51 14.6677465 1.5394642403H52 14.6677465 -0.67343878704H53 15.1554451-0.0021796759705H54 13.0508499 -0.686004406H55 13.839963 -0.94240242207H56 12.3923378 -1.0435935308H57 13.0826092 -0.64506518809H58 7.08260918 -0.220960140:H59 6.39233828 0.1775681530;H60 5.60766172 0.1775681530<H61 4.91739035 -0.220960125064          !" #!$"% #& $' %( &) '* (+ ), *-+.,/-0.1/2031425364758697:8;9<:=;><?0H00000000-0000-0000-0000-000000000000y{KBI,M?h@?x?M?M? ?M?M?хA ??ՠ??ՠ"?c`?@?O?#ŀ?@?$@Cf*@<^?sH ??@? f*@?$@C??ՠ??ՠ@9c ?ح$J@=? ? ? ? ? ? ? ? @"@!@"@!? ? @E{)UBPN<?nd?\?`?Ź`?ᛦ?Ź`?`?[s?Ӏh?յ@??ԋ ?lD@#kW?ƀ ?ř ?7,`??M?ȉNj ӽC?Ӏ?[s?T`CMrzdr?ag`'?ag` @@?@?{ ??f~ ?c[ `\@A Z`IO?c@(ɀ'@<@@?ùe?bT?J.8nqb??z?4??4?z?0??`?`?‡?‡?`?c?Z`u?c???Z`u?@?=ӼW0HiP?????@1BJg3Z-?RzzzRzzz?zzzzz?zzzz?z2"no" = 0.62;"yes" = 0.38;8֬L":?P?z?z?z?z?z??z?z??z?R?R?z?z?P?z?(?R?z?z?R?z?P?z?z6"low" = 0.43;"high" = 0.57;8MnH:wx#.?ݝ?ݝ?ݝ?ݝ?ݝ?ݝ>"-" = 0.0371353;"+" = 0.962865;8発KxBϚ=v?6?ӄ`?, 2C9 pKi?,*2D6 affinity category?@(5HT1a affinity (pKi)?8@BBB category??}0BBB log([brain]:[blood])?HIA category?lP-gp category? PPB90 category?ZhERG pIC50?X\@logP? logS? aTE­Vٲ"Vd J m?`?g@?ŀ@?S?ע@?S?ŀ@?ˤ@?>??^?/`?? ?٧`?`ik !?@?_?9>????c\95h??>@h?[`W'MJFz?HV >3@Z?j(0^@?33@$H܏esmc=S10-17%{gGMem{??????????@*5AS@6?*JMz@Mz@Mz@Mz@/z@ @Y4I[ ?ҝ݀`R`SSnc~'ȏpezO ]o~`?wAk?$@Y@@r< ?7 Nz۴?o?s?s?oÎ9Î9?o?s?xU?s?s?oÎ9Î9Î9Î9Î9"low" = 0.0555556;"medium" = 0.222222;"high" = 0.666667;"very high" = 0.0555556;8JIK}(l(9d3?%? : j% j% 4ďL??ٙ\p- \C?3 '?Q?C V ljw{?@V\5V ?Q?C ?L@ ?ߜ_7XWH!uF?zzz?z?z?z?zzz?z?z? =zRzz?z?zz?z?z,"-" = 0.56;"+" = 0.44;8svD[\v@@(@/@@(@(@(@(@(@(@,p@(@(@,p@(@(@/@@(@(@,p@(@/@@(@(@(@(@(@(@(@(@/@@(@(@z@t]fŜFHw ???????????ZZ`v[BB#5bCOc1ccccc1N2CCN(CC(O)CCN3C(=O)CC4(CCCC4)CC3=O)CC2!3qgSZ;Ypb€"'CNa;RX{ 0jAx왛" 8q4H5=]H1rm%( lVo}M OSA$6d34f37e-0c94-4b7a-83db-c7dd75f017df66C13.5 1.299038170O24 0.4330127540C33.5 -0.4330126350C42.5 -0.4330126350C52 -1.299037930C62.5 -2.165063620C73.5 -2.165063620C84 -1.299037930N95 -1.299038050 C105.5 -2.165063620 C116.5 -2.165063620 N127 -1.299038050 C138 -1.299038050 C148.5 -0.4330126640O158 0.4330127240C169.5 -0.4330126640C1710 0.4330127240N1811 0.4330126940C1911.5 1.299038050O2011 2.165063620C2112.5 1.299038050C2213 0.4330126940C23 13.5877857 1.242029670C24 14.5388422 0.9330127240C25 14.5388422 -0.06698731330C26 13.5877857 -0.3760042790C2712.5 -0.4330126940C2811.5 -0.4330126940O2911 -1.299038050C306.5 -0.4330126640C315.5 -0.4330126350H32 4.03693581 1.609038230 H33 3.19000006 1.835973980!H34 2.96306419 0.989038110"H35 2.19000006 0.1039231270#H361.38 -1.299037930$H37 2.19000006 -2.701999430%H38 3.80999994 -2.701999430&H39 4.91739035 -2.377115960'H40 5.60766172 -2.775644540(H41 6.39233828 -2.775644540)H42 7.08260965 -2.377115960*H43 7.89233828 -1.909618850+H44 8.58260918 -1.511090520,H45 8.81000042 0.1039230820-H46 8.31000042 0.9699484710.H47 9.3923378 -1.043593530/H48 10.0826092 -0.64506518800H49 10.1076622 1.0435935301H50 9.41739082 0.64506518802H51 13.0826092 1.5110905203H52 12.3923378 1.9096188504H53 13.839963 1.8084278105H54 13.0508499 1.5520298506H55 15.1554461 0.8682050707H56 14.6677465 1.5394642408H57 14.6677465 -0.67343878709H58 15.1554461-0.002179675970:H59 13.0508499 -0.68600440;H60 13.839963 -0.9424024220<H61 12.3923378 -1.043593530=H62 13.0826092 -0.6450651880>H63 7.08260965 -0.220960140?H64 6.39233828 0.1775681530@H65 5.60766172 0.1775681530AH66 4.91739035 -0.220960125069            !" #!$"%#&$'%( &) '* (+ ), *- +. ,/-0.1/2031425364758697:8;9<:=;><?=@>A?B@CAD0H00000000-0000-0000-0000-000000000000y{KBI,M?OW`?݀?Ӏ?Wl?Wl?Wl?Wl?6@?Ɖ? ? c[?筠?"?`?? `?@^h`S?o?Ɉ?@?\h`?@^? ? @Ǡ?ح$J@=@`@`@`? ? ? ? ? ? @$:@@$:@? ? @"@!@"@!? ? @RTz{)UBPN<?k??<`??ѧ`?ʰ?Ve?+?D@? @?*`؇?I ?y?з ?G@> S?# ?ǴI`?1o?ȸ7??ȓ4`sR?*`? @?``CMrzdre?1`rKrK?jxy ? ? ?zc?M]@\?"-" = 0.0371353;"+" = 0.962865;8発KxBϚ=v??Z`?\f 2C9 pKi?**2D6 affinity category?@(5HT1a affinity (pKi)?@BBB category?$@0BBB log([brain]:[blood])?%HIA category?lP-gp category?z@PPB90 category?`hERG pIC50? logP?{logS? aTE­Vٲ"??Vd J m?0`?R ?H5?s?A|?2`?j@?]@??[ @?r ?N?ֵ>?9w@?H3@?ع?@g@ͯ ?25`?_m?\@?|?k?d ?Kn0Z@2- ?r ?[ @@GY ?ȿB-3 >3@Z?j(0^@"=?33@$H܏esmc=S6-38%{gGMem{?????????@*5AS@6 !f oV`]]`]]`]]`]]`E z`jG?[ ? W9`l'`ͺ 4,i`3`'kH9?|k ?`?[ jG@?7 Nz۴?o?o?o?o?oÎ9Î9?o?o?o?oÎ9Î9Î9Î9Î9"low" = 0.0555556;"medium" = 0.222222;"high" = 0.666667;"very high" = 0.0555556;8JIK}(l(9d30 > 0 ? ^ __E`P5|?슀?"I?@?clTe}W@@Te?@?cl?슀??ߜ_7XWH!uFz?zzz?zz?zTTzTzT,"-" = 0.49;"+" = 0.51;8svD[\v@@(@(@(@/@@(@(@(@(@(@(@,p@(@(@,p@(@(@,p@(@/@@(@(@(@(@(@(@(@(@/@@(@(@yt]fŜFHw ??????????Eрv[BB#5`CC(C)Oc1ccccc1N2CCN(CCN3C(=O)CC4(CCCC4)CC3=O)CC2!3qfS_;YQ €"%CNjzy0bE8  )Hq4 7=]$4X1v}%ը hVohE OSA$fa1c662f-49b1-4fbc-bc21-4d0fdc11934f65C12.5 2.165063380C23.5 2.165063380C34 3.031089070O44 1.299038170C53.5 0.4330127540C62.5 0.4330127540C72 -0.4330126050C82.5 -1.299038170C93.5 -1.299038170 C104 -0.4330126050 N115 -0.4330126050 C125.5 0.4330127240 C136.5 0.4330127240 N147 -0.4330126350C158 -0.4330126350C168.5 0.4330127240N179.5 0.4330127240C1810 1.299038050O199.5 2.165063380C2011 1.299038050C2111.5 0.4330127240C22 12.0877857 1.242029670C23 13.0388422 0.9330127240C24 13.0388422 -0.06698732080C25 12.0877857 -0.3760042490C2611 -0.4330126350C2710 -0.4330126350O289.5 -1.299038170C296.5 -1.299038170C305.5 -1.299038170H312.5 2.785063510H321.88 2.165063380 H332.5 1.54506350!H34 4.11999989 2.165063380"H35 4.53693581 2.721089120#H36 4.30999994 3.568024870$H37 3.46306419 3.341089010%H38 2.19000006 0.969948530&H391.38 -0.4330126050'H40 2.19000006 -1.835973980(H41 3.80999994 -1.835973980)H42 5.60766172 1.043593530*H43 4.91739035 0.6450652480+H44 7.08260965 0.6450652480,H45 6.39233828 1.043593530-H46 7.89233828 -1.043593410.H47 8.58260918 -0.6450650690/H48 8.6076622 1.0435935300H49 7.91739035 0.64506524801H50 11.5826092 1.5110906402H51 10.8923378 1.9096189703H52 12.339963 1.8084278104H53 11.5508499 1.5520298505H54 13.6554461 0.8682050706H55 13.1677465 1.5394642407H56 13.1677465 -0.67343884708H57 13.6554461-0.0021796713109H58 11.5508499 -0.686004460:H59 12.339963 -0.9424024220;H60 10.8923378 -1.043593410<H61 11.5826092 -0.6450651290=H62 6.39233828 -1.909619090>H63 7.08260965 -1.511090520?H64 4.91739035 -1.511090520@H65 5.60766172 -1.90961909068              !" #!$"%#&$'%(&)'*(+ ), *- +. ,/-0.1/2031425364758697:8;9<:=;><?=@>A?B@C0H00000000-0000-0000-0000-000000000000y{KBI,M?XT@?O,?XT@?\??ƃ ?ƃ ?ƃ ?ƃ ?~?ʩs@? ? L`?{?4 ??~<@%T ?Q?G@?|`?_%?~<@? ? @ @?ح$J@=@`@`@`? ? ? ? ? ? ? ? @"@!@"@!? ? @J {)UBPN<?j?њ@?j?%?<?R ?6 ?U@?ϫ ?:?%? ?O@?Tk`g@?*o`?Ŷ?υ?m4?@?H@0̀k`2? ?%?L``CMrzdr?i@?`?i@?T+4qoqo?i ³FVWW?Ը`? ?Z8`q ݂ za`?C?`?Oʀ?J?`fC WW?YT?J.8nqb?~.?p?~.?p??@? ? ?`?G?*{ { j@?;p?;p???~.?}?~.DD?~.?~.?{ { @"?=ӼW0HiP??????@1BJg3Z-?z?z?zzz?z?z?z?zzPPP?z?z?z."no" = 0.5;"yes" = 0.5;8֬L":?P?z?P?z?z?z?z?P?Q?P?P?z?Q?Q?Q?T?Q?Q?????Q?T?P?P6"low" = 0.48;"high" = 0.52;8MnH:wx#.?ݝ?ݝ?ݝ>"-" = 0.0371353;"+" = 0.962865;8発KxBϚ=v?Ó?c?C 2C9 pKi?ܠ*2D6 affinity category?@(5HT1a affinity (pKi)?BBB category?`A0BBB log([brain]:[blood])?%HIA category?lP-gp category?PPB90 category? hERG pIC50?logP?sv logS?)aTE­Vٲ"Vd J m?C?I?C?5?J?´`?dR?U[??R ?-??2 ??V`??~:?[t?e?C?`?, ?Q`?b?6@ܫ8@?2 ?@@?&N W3(L<_pEF1 >3@Z?j(0^@?33@$H܏esmc=S6-45%{gGMem{????????@*5AS@6u@ WrH\ {?umQ?w??w@ `O`v L??E(~9~?Ab?.ڷ6`6`6`6`R!!@?7 Nz۴? ? ?ɠ(?ɠ(?ɠ(?ɗk?ɠ(?ɠ(?ɠ(? ? ? ? ?ɠ(t"low" = 0.2;"medium" = 0.1;"high" = 0.5;"very high" = 0.2;8JIK}(l(9d3?_ ?ͥ?@v@*DD ?@?ͥ?_ ?@6?] ?^YDK@?(B #7y@=B*?7@?7@?$ _7XWH!uF?R?z?z?z?z?z?z?z?z?z?RRzz??z?zR?z?zRR =zz("-" = 0.6;"+" = 0.4;8svD[\v@@/@@(@(@(@(@(@(@(@(@(@/@@,p@(@(@,p@(@(@,p@(@(@(@(@(@(@(@(@,p@/@@/@@yt]fŜFHw ?????????v[BB#5pO=C1CC2(CCCC2)CC(=O)N1CCN3CCN(CC3)C4=C(C=CC=C4)[N](=O)=O gOSA$82628aa1-1262-4c24-b725-338b2f8b8ee357O15 1.299038050N24 1.299038050O33.5 2.165063380C43.5 0.4330126940C52.5 0.4330126940C62 -0.4330126940C72.5 -1.299038050C83.5 -1.299038050C94 -0.4330126940 N105 -0.4330126940 C115.5 0.4330126940 C126.5 0.4330126940 N137 -0.4330126940 C148 -0.4330126940C158.5 0.4330126940N169.5 0.4330126940C1710 1.299038050O189.5 2.165063380C1911 1.299038050C2011.5 0.4330126940C21 12.0877857 1.242029670C22 13.0388422 0.9330127240C23 13.0388422 -0.06698729840C24 12.0877857 -0.3760043080C2511 -0.4330126940C2610 -0.4330126940O279.5 -1.299038050C286.5 -1.299038050C295.5 -1.299038050H30 2.19000006 0.9699484710H311.38 -0.4330126940H32 2.19000006 -1.835973740 H33 3.80999994 -1.835973740!H34 5.60766172 1.043593530"H35 4.91739035 0.6450651880#H36 7.08260965 0.6450651880$H37 6.39233828 1.043593530%H38 7.89233828 -1.043593530&H39 8.58260918 -0.6450651880'H40 8.6076622 1.043593530(H41 7.91739035 0.6450651880)H42 11.5826092 1.511090640*H43 10.8923378 1.909618970+H44 12.339963 1.808427930,H45 11.5508499 1.552029850-H46 13.6554461 0.868205070.H47 13.1677475 1.539464240/H48 13.1677475 -0.67343878700H49 13.6554461-0.0021796429101H50 11.5508499 -0.686004402H51 12.339963 -0.94240248203H52 10.8923378 -1.0435935304H53 11.5826092 -0.64506518805H54 6.39233828 -1.9096188506H55 7.08260965 -1.5110905207H56 4.91739035 -1.5110905208H57 5.60766172 -1.90961885060            !" # !$ "% #& $' %( &)'*(+),*-+.,/-0.1/2031425364758697:8;cccccc CCNCCNCCCCCNCCCCC0OSA$82628aa1-1262-4c24-b725-338b2f8b8ee3575 0.8660253884 0.8660253883.5 1.732050783.51.04777298e-0152.51.45716772e-0162 -0.8660253882.5 -1.732050783.5 -1.732050784 -0.866025388 5 -0.866025388 5.5-2.56739074e-016 6.5-2.42861287e-016 7 -0.866025388 8 -0.8660253888.54.51028104e-0169.51.13103971e-01510 0.8660253889.5 1.7320507811 0.86602538811.51.60288449e-015 12.0877857 0.809017003 13.03884220.5 13.0388422-0.5 12.0877857 -0.80901700311 -0.86602538810 -0.8660253889.5 -1.732050786.5 -1.732050785.5 -1.73205078 2.19000006 0.5369357471.38 -0.866025388 2.19000006 -2.26898646 3.80999994 -2.26898646! 5.60766172 0.610580802" 4.91739035 0.212052494# 7.08260965 0.212052494$ 6.39233828 0.610580802% 7.89233828 -1.47660625& 8.58260918 -1.07807791' 8.6076622 0.610580802( 7.91739035 0.212052494) 11.5826092 1.07807791* 10.8923378 1.47660625+ 12.339963 1.37541521, 11.5508499 1.11901712- 13.6554461 0.435192347. 13.1677475 1.10645151/ 13.1677475 -1.106451510 13.6554461 -0.4351923471 11.5508499 -1.119017122 12.339963 -1.375415213 10.8923378 -1.476606254 11.5826092 -1.078077915 6.39233828 -2.342631586 7.08260965 -1.944103247 4.91739035 -1.944103248 5.60766172 -2.34263158H00000000-0000-0000-0000-000000000000y{KBI,MVS ?*U*vB?f;`? ?sE?8U*?*VS ?j?u?x`e?.`?.`??E?E?N4??9@?9@?9@?9@?7@YY@9`?ح$J@=@!@"@"@!? ? ? ? ? ? ? ? ? ? @\)@3p@&@&@Vk {)UBPN<8' ?@?f?ȍL??z?u 6 ?ɵ?Ѩ G׀?@?@Qz?ǁ?T `?B?=?o+`?в?y?7?@Xd Xd ?%L`CMrzdr1ʠ?`|H`?i`?rl@?oRM?mXg?j8] ?x??w@: : \` ?r?*z?rDk\ \ ?nQ0606?Z(T?J.8nqbrm? @>0>0? rm?t#t#e@}}?.`}}?+h?}HmmH@??@?=ӼW0HiP????????@ 1BJg3Z-?z?zzzzzzz?z?zzzz?z?z?z?z?z?z?z?z."no" = 0.6;"yes" = 0.4;8֬L":?z??R?R?녀?z?z?녀?R??z?z??????z?z?z?R??R?z?z?R?R6"low" = 0.51;"high" = 0.49;8MnH:wx#.?1?1("-" = 0.2;"+" = 0.8;8発KxBϚ=v?^??N 2C9 pKi?$*2D6 affinity category?G (5HT1a affinity (pKi)?BBB category?p0BBB log([brain]:[blood])?%HIA category?\@P-gp category?陙PPB90 category?/ hERG pIC50?@logP?9@logS?aTE­Vٲ"Vd J m"|S ? ??1?% ?9/ ?G?1"Ϧ ?@?׺?7@?˽=@?1?? @?@?<?Ϡ?,?ëO?<?MT?jH?ԍ{{@mC?ѠtfUCIr? >3@Z?j(0^@Q?33@$H܏esmc=S6-70%{gGMem{????????@*5AS@6ь@@dd@@ь@d?ـ?6 ?` &3 CuK o@ n l ?u@?`?}?6 ?ـ?`?7 Nz۴?o?o?o?o?o?o?o?o"low" = 0.0555556;"medium" = 0.222222;"high" = 0.666667;"very high" = 0.0555556;8JIK}(l(9d3i@ــ%6@T o$ ?i?ެ` K`@??X?lt HY5@.?l??X?i ?@?ߜ_7XWH!uF?z?z?z?z?z?z?zRzzzzzR(z(,"-" = 0.19;"+" = 0.81;8svD[\v@@A@(@(@(@(@A@(@(@,p@(@(@,p@(@(@(@(@,p@(@/@@(@(@(@(@(@(@(@(@/@@(@(@|F`t]fŜFHw ?????????Eрv[BB#5hClc1ccc(Cl)c(c1)N2CCN(CCCCN3C(=O)CC4(CCCC4)CC3=O)CC2%3p fQ2J9"Ysb"%Ce;R8XkLk왑" :q1]H0r)%.:U)Vom OSA$eecc83f6-30b6-488b-8e1d-1e0e4b1aa3b161Cl12 -3.031088830C22.5 -2.165063380C32 -1.299038050C42.5 -0.4330127240C53.5 -0.4330127240Cl64 0.4330126940C74 -1.299038050C83.5 -2.165063380N95 -1.299038050 C105.5 -2.165063380 C116.5 -2.165063380 N127 -1.299038050 C138 -1.299038050 C148.5 -0.4330126940C159.5 -0.4330126940C1610 0.4330126940N1711 0.4330126940C1811.5 1.299038050O1911 2.165063380C2012.5 1.299038050C2113 0.4330126940C22 13.5877857 1.242029670C23 14.5388422 0.9330127840C24 14.5388422 -0.06698726860C25 13.5877857 -0.3760042790C2612.5 -0.4330126940C2711.5 -0.4330126940O2811 -1.299038050C296.5 -0.4330126940C305.5 -0.4330126940H311.38 -1.299038050H32 2.19000006 0.1039230380 H33 3.80999994 -2.701999190!H34 4.91739035 -2.377115960"H35 5.60766172 -2.77564430#H36 6.39233828 -2.77564430$H37 7.08260965 -2.377115960%H38 7.89233828 -1.909618970&H39 8.58260918 -1.511090640'H40 8.6076622 0.1775681080(H41 7.91739035 -0.22096020)H42 9.3923378 -1.043593530*H43 10.0826092 -0.6450651880+H44 10.1076622 1.043593530,H45 9.41739082 0.6450651880-H46 13.0826092 1.511090520.H47 12.3923378 1.909618850/H48 13.839963 1.8084278100H49 13.0508499 1.5520298501H50 15.1554461 0.8682051302H51 14.6677465 1.5394642403H52 14.6677465 -0.67343878704H53 15.1554461-0.0021796156705H54 13.0508499 -0.686004406H55 13.839963 -0.94240242207H56 12.3923378 -1.0435935308H57 13.0826092 -0.64506518809H58 7.08260965 -0.2209602150:H59 6.39233828 0.1775680930;H60 5.60766172 0.1775680930<H61 4.91739035 -0.220960215064           !" # !$ "% #& $' %( &) '* (+),*-+.,/-0.1/2031425364758697:8;9<:=;><?0H00000000-0000-0000-0000-000000000000y{KBI,M?Ҧ7?#`?Ǒ?Ǒ?#`?Ҧ7??Ǒ?q?}t?}t?bΠ?π? ?,]?c ?x]ӄ/ ?~u, ?,`?ƅ@?q ?x]ӄ?}t?}t@ @*?ح$J@=? ? ? ? ? ? ? ? @"@!@"@!? ? @E{)UBPN<?ѝL?د;?՞`?0?o?X? ?Ԝ7 2A?¹`?b `?e<?а@?iq?"@6&?I`?À?K??i`?Ƽ@¦F?b?¹`@֬`CMrzdrP<<?eP[pe1SS?j? ?V`?y@? %?5`?*}&z` ?XSS?C̀?bT?J.8nqbJ ???A?3?ECH?^^?`) `)?E@.@?=ӼW0HiP?????@1BJg3Z-?z?z?z?z?z?z?zzzzzz?z?z2"no" = 0.54;"yes" = 0.46;8֬L":?z?P?P?P?P?z?z?P??z?z???????P?z?R? =????R?R?P?z?z?z6"low" = 0.37;"high" = 0.63;8MnH:wx#.?ݝ?ݝ?ݝ?ݝ>"-" = 0.0371353;"+" = 0.962865;8発KxBϚ=v??H?Ǿ& 2C9 pKi?*2D6 affinity category?@(5HT1a affinity (pKi)?1 BBB category?0BBB log([brain]:[blood])?9{HIA category?lP-gp category? PPB90 category?hERG pIC50?logP?SlogS?UaTE­Vٲ"Vd J m?Wa`?{@`????J@?վ @?Ļ@?d??Rà?ͤ&`?@?ټ?@?ٓ?•K`s/e@& ?f?@?} ?-{?2R?Pk@?w ϼR@?Rà?@D@?s}5 F>4ʄ >3@Z?j(0^@\)?33@$H܏esmc=S10-21%{gGMem{????????@*5AS@6T '@E5k O3`c`Ϩ@I`` H?{k?=`??}r ?}r ?A/@greg/@@??7 Nz۴?xU?s?s?s?o?o?o?o"low" = 0.0555556;"medium" = 0.222222;"high" = 0.666667;"very high" = 0.0555556;8JIK}(l(9d3`NA @?wi?ù׀?T 1 R 3 `I?T ?wi?ù׀?O?& /$/?& ځ-iDI`i-?[?ߜ_7XWH!uFzzzzz?zzzzzzzzz?zz,"-" = 0.57;"+" = 0.43;8svD[\v@@(@(@(@(@(@,p@(@/@@(@(@(@(@(@(@(@(@/@@,p@(@(@,p@(@(@(@,p@(@(@2`@(@,p@zZt]fŜFHw ?????????Eрv[BB#5dCC(CCCN1C(=O)CC2(CCCC2)CC1=O)N3CCN(CC3)c4ncc(F)cn4!1Y%&=f(TJ`"\`hb% ϡyPp􋍘) 0BoGtc!  N0WF2V"A(L! jt-/R* $OSA$677b1ad2-4873-4995-9481-8222aabc010d62C18.5 -2.165063620C28 -1.299038050C38.5 -0.4330126640C49.5 -0.4330126640C510 0.4330126940N611 0.4330126940C711.5 1.299038050O811 2.165063620C912.5 1.299038050 C1013 0.4330126940 C11 13.5877857 1.242029670 C12 14.5388422 0.9330127240 C13 14.5388422 -0.06698731330 C14 13.5877857 -0.3760042790C1512.5 -0.4330126940C1611.5 -0.4330126940O1711 -1.299038050N187 -1.299038050C196.5 -0.4330126640C205.5 -0.4330126640N215 -1.299038050C225.5 -2.165063620C236.5 -2.165063620C244 -1.299038050N253.5 -0.4330126350C262.5 -0.4330126350C272 -1.299037930 F281 -1.299037930C292.5 -2.165063620N303.5 -2.165063620H31 7.96306419 -2.475063560H32 8.81000042 -2.701999430 H33 9.03693581 -1.855063680!H34 7.68999958 -1.835973620"H35 8.6076622 0.1775681230#H36 7.91739082 -0.2209601550$H37 9.3923378 -1.043593530%H38 10.0826092 -0.6450651880&H39 10.1076622 1.043593530'H40 9.41739082 0.6450651880(H41 13.0826092 1.511090520)H42 12.3923378 1.909618850*H43 13.839963 1.808427810+H44 13.0508499 1.552029850,H45 15.1554451 0.868205070-H46 14.6677465 1.539464240.H47 14.6677465 -0.6734387870/H48 15.1554451-0.0021796727100H49 13.0508499 -0.686004401H50 13.839963 -0.94240242202H51 12.3923378 -1.0435935303H52 13.0826092 -0.64506518804H53 7.08260918 -0.22096015505H54 6.39233828 0.17756813806H55 5.60766172 0.17756815307H56 4.91739035 -0.2209601408H57 4.91739035 -2.3771159609H58 5.60766172 -2.775644540:H59 6.39233828 -2.775644540;H60 7.08260918 -2.377115960<H61 2.19000006 0.103923120=H62 2.19000006 -2.70199943065             !" #!$"%#&$'%(&)'*(+), *- +. ,/ -0 .1 /2 03 1425364758697:8;9<:=;><?=@0H00000000-0000-0000-0000-000000000000y{KBI,M?W?!?]? ?@?Z?h~`D?ӊ?΋?ρ??h~`֣ ?G?G?Gـ?G?G?s?L?6.@?-`?Ls@`?ح$J@=? ? ? @"@!@"@!? ? ? ? ? ? @"΁@/ɀ@/ɀ@/ɀ@/ɀ@Qh{)UBPN<?rE@?`?c ? ?@c0I? ?e@?Հ?ɦ?z`?$1}Dg@γ1 g ?v?{@?Y?{@?v?~?;?z`?@?V?z`?;?uU@`CMrzdr?Ig`"V`???? 0xO@  ?سr78@D. ?0,H?`8yyyySNi@AW *ANi@w?bT?J.8nqb?-`?Q???\3 tr??t3 tx ?, tx? p? ??. s?? @?=ӼW0HiP???????@1BJg3Z-zzzz?z?z?Rzz?z?zzzz?z?z?R?z?z2"no" = 0.56;"yes" = 0.44;8֬L":?z?녀?z?z?S?녀?z?z?@?z?(?(?S?z?z?T?녀?녀?녀?녀?녀?z?z?T?T?T?z6"low" = 0.46;"high" = 0.54;8MnH:wx#.?ݝ?ݝ?ݝ?ݝ>"-" = 0.0371353;"+" = 0.962865;8発KxBϚ=v?of`?f<? 2C9 pKi?`*2D6 affinity category?@(5HT1a affinity (pKi)?BBB category?0BBB log([brain]:[blood])?I HIA category?lP-gp category?€PPB90 category?ChERG pIC50?㵊logP?(ZlogS?jcaTE­Vٲ"Vd J m?^?vp ?Y?ٜ@?ـ<?y`s n3?@?߲?ր?ՠ??W, ?no p?g`???Ɇi???@??Rf?" ?Čq?Rf?@-$?{`-h+I;W >3@Z?j(0^@?33@$H܏esmc=S10-3%{gGMem{????????@*5AS@6& E +s+E ?1h??\Ġ Ϛ' t~@ª@eC$`Xx >`/g?-??1h@:?7 Nz۴?xU?o?o?xU?xU?xU?xU?o"low" = 0.0555556;"medium" = 0.222222;"high" = 0.666667;"very high" = 0.0555556;8JIK}(l(9d3F@o ƹqo F@ 4z?j ?ٿ`S@S :b?4? E\^w@XtE\?4? ?j 4z@H?ߜ_7XWH!uF?zzRRzR?zzzzzzz,"-" = 0.56;"+" = 0.44;8svD[\v@@2`@(@(@,p@(@,p@(@,p@(@(@,p@(@(@(@(@,p@(@/@@(@(@(@(@(@(@(@(@/@@(@(@y7`t]fŜFHw ?????????v[BB#5^Fc1cnc(nc1)N2CCN(CCCCN3C(=O)CC4(CCCC4)CC3=O)CC2!1Y%&<f(TJ`"\`hb% ϡyPp􋍘) 0BoGtc!  N0WF2V"A(L! jp-/R  OSA$f184936e-026e-4617-931e-7200e8ac95c559 F11 -1.299037930C22 -1.299037930C32.5 -2.165063620N43.5 -2.165063620C54 -1.299038050N63.5 -0.4330126350C72.5 -0.4330126350N85 -1.299038050C95.5 -2.165063620 C106.5 -2.165063620 N117 -1.299038050 C128 -1.299038050 C138.5 -0.4330126640 C149.5 -0.4330126640C1510 0.4330126940N1611 0.4330126940C1711.5 1.299038050O1811 2.165063620C1912.5 1.299038050C2013 0.4330126940C21 13.5877857 1.242029670C22 14.5388422 0.9330127240C23 14.5388422 -0.06698731330C24 13.5877857 -0.3760042790C2512.5 -0.4330126940C2611.5 -0.4330126940O2711 -1.299038050C286.5 -0.4330126640C295.5 -0.4330126640H30 2.19000006 -2.701999430H31 2.19000006 0.103923120H32 4.91739035 -2.377115960 H33 5.60766172 -2.775644540!H34 6.39233828 -2.775644540"H35 7.08260918 -2.377115960#H36 7.8923378 -1.909618850$H37 8.58260918 -1.511090520%H38 8.6076622 0.1775681230&H39 7.91739082 -0.2209601550'H40 9.3923378 -1.043593530(H41 10.0826092 -0.6450651880)H42 10.1076622 1.043593530*H43 9.41739082 0.6450651880+H44 13.0826092 1.511090520,H45 12.3923378 1.909618850-H46 13.839963 1.808427810.H47 13.0508499 1.552029850/H48 15.1554451 0.8682050700H49 14.6677465 1.5394642401H50 14.6677465 -0.67343878702H51 15.1554451-0.0021796727103H52 13.0508499 -0.686004404H53 13.839963 -0.94240242205H54 12.3923378 -1.0435935306H55 13.0826092 -0.64506518807H56 7.08260918 -0.22096015508H57 6.39233828 0.17756813809H58 5.60766172 0.1775681530:H59 4.91739035 -0.22096014062          !" # !$ "% #& $' %( &) '* (+),*-+.,/-0.1/2031425364758697:8;9<:=0H00000000-0000-0000-0000-000000000000y{KBI,M?:o`? ?RUf?籤 Uf?R?7=`?`?`?X@?V ?;`?4?W[?R `? ???/?R `?`?`@{?ح$J@=@/ɀ@/ɀ@"΁@/ɀ@/ɀ? ? ? ? ? ? ? @"@!@"@!? ? @Qh{)UBPN<?T ? ?1?֠?}?֠?1?=2?'?bo?^? ?Ѭ?@o#ǩd ?@??`? ?ɲ@?@?8{ l )oR ?b?'?Xb`CMrzdrc!H  H fzfzf?D?P`?; ?^?#``v U?`"-" = 0.0371353;"+" = 0.962865;8発KxBϚ=v?N3 ?G9@?/ 2C9 pKi?*2D6 affinity category?@(5HT1a affinity (pKi)?R`BBB category?$@0BBB log([brain]:[blood])?HIA category?lP-gp category?pPPB90 category?jhERG pIC50?logP?logS? aTE­Vٲ"Vd J m?Ĭ:@?F?po?>? ?>?po?ɛa??ds?ˈc?ڤӀ?ْ@?ç?a?!`k?,?F?\? ???ɠ"kϒ?ds?@ @?m ,/K1-<>  >3@Z?j(0^@?33@$H܏esmc=S10-16%{gGMem{????????@*5AS@6?ۜ-@K@@m@|0F@@@ @`Qlx?s`` 4@Ao `ծP`{ { ) { { @J ?7 Nz۴?xU?s?s?oÎ9Î9Î9?s?oÎ9Î9?oÎ9Î9?s"low" = 0.0555556;"medium" = 0.222222;"high" = 0.666667;"very high" = 0.0555556;8JIK}(l(9d3?`3& @ր?5?1@?@\| ^ HP?@?5?1@i?ǎ?Wf{Á?@?Ci W  ?SG?ߜ_7XWH!uFGRzzzz?z?z?zzzzzzR?z?z?z?z?z?z,"-" = 0.56;"+" = 0.44;8svD[\v@@/@@(@(@(@,p@(@/@@(@(@(@(@(@(@(@(@/@@(@,p@(@(@,p@(@(@(@(@(@(@2`@(@(@zM`t]fŜFHw ?????????Eрv[BB#5dOC(CCN1C(=O)CC2(CCCC2)CC1=O)CN3CCN(CC3)c4ccc(F)cc4!1pgÑJ0"Ypf"'iNa[;R8Xk 0jGxٓ #8qH5A1r)%n*( ,Vo&]K !OSA$0c169437-2ee3-41c6-b7fc-83390c2dc49b62O18 0.4330127240C28.5 -0.4330126640C39.5 -0.4330126640C410 0.4330127240N511 0.4330126940C611.5 1.299038050O711 2.165063620C812.5 1.299038050C913 0.4330126940 C10 13.5877857 1.242029670 C11 14.5388422 0.9330127240 C12 14.5388422 -0.06698731330 C13 13.5877857 -0.3760042790 C1412.5 -0.4330126940C1511.5 -0.4330126940O1611 -1.299038050C178 -1.299038050N187 -1.299038050C196.5 -0.4330126640C205.5 -0.4330126350N215 -1.299038050C225.5 -2.165063620C236.5 -2.165063620C244 -1.299037930C253.5 -0.4330126350C262.5 -0.4330126350C272 -1.299037930 F281 -1.299037930C292.5 -2.165063620C303.5 -2.165063620H31 8.31000042 0.9699484710H32 8.81000042 0.1039230820 H33 9.3923378 -1.043593530!H34 10.0826092 -0.6450651880"H35 10.1076622 1.043593530#H36 9.41739082 0.6450651880$H37 13.0826092 1.511090520%H38 12.3923378 1.909618850&H39 13.839963 1.808427810'H40 13.0508499 1.552029850(H41 15.1554451 0.868205070)H42 14.6677465 1.539464240*H43 14.6677465 -0.6734387870+H44 15.1554451-0.002179675970,H45 13.0508499 -0.68600440-H46 13.839963 -0.9424024220.H47 12.3923378 -1.043593530/H48 13.0826092 -0.64506518800H49 7.8923378 -1.9096188501H50 8.58260918 -1.5110905202H51 7.08260918 -0.2209601403H52 6.39233828 0.17756815304H53 5.60766172 0.17756815305H54 4.91739035 -0.22096012506H55 4.91739035 -2.3771159607H56 5.60766172 -2.7756445408H57 6.39233828 -2.7756445409H58 7.08260918 -2.377115960:H59 3.80999994 0.103923120;H60 2.19000006 0.1039231270<H61 2.19000006 -2.701999430=H62 3.80999994 -2.70199943065             !" #!$"%#&$'%( &) '* (+ ), *- +. ,/ -0 .1 /2031425364758697:8;9<:=;><?=@0H00000000-0000-0000-0000-000000000000y{KBI,M A`?@?+@?,?@?'ͬb@<? @?=0?ɜ ?@<?'ͬb@?t?q?sN?sN?ƍc?q\?q\?޵@?n?n?e?Y6?n?n@׈@?ح$J@=@$:@@$:@? ? @"@!@"@!? ? ? ? ? ? ? ? @P€{)UBPN<ރ ?K@?| `?VԀGր 懀?̀?1?ʋ?Q9?ɇ?%tV@?Q+@~??Ǐ$?΀?y?H???!?>x?m?h?>x?!?Qv`CMrzdrDŽ| ?' ?$k' 2@C=c)*?Q?d2?3J`?P ?P ; ?"?F @+Ӗ`Ӗ`j?o05 =` ?o05h?bT?J.8nqb?W?-?^?0?{(??q??7p???????q?0??0??H??0?Ŀ?L?Ѩ?T?(?Ѩ?L@V ?=ӼW0HiP??????@1BJg3Z-?zzzz?z?z?z?z?z?zzzzRz?zz2"no" = 0.52;"yes" = 0.48;8֬L":?(?(??(?녀?R?R?(?녀?녀?녀?녀?R?녀?R?????(????R?z?z?z?z?R6"low" = 0.51;"high" = 0.49;8MnH:wx#.?ݝ?ݝ?ݝ?ݝ?ݝ?ݝ>"-" = 0.0371353;"+" = 0.962865;8発KxBϚ=v???ȉ 2C9 pKi?*2D6 affinity category?@(5HT1a affinity (pKi)?d BBB category?$@0BBB log([brain]:[blood])?@HIA category?lP-gp category?QPPB90 category?/ hERG pIC50?#@logP?YlogS?aTE­Vٲ"??Vd J mA ?Gu?2 ?j"?mZkFլ`???s`?k@?YT`?0`? 6@of?լ?F ? ?L1?E?`? ?s?ƛ?S`?Pi`??S`?ƛ@Q<?t,SPIZODYfns >3@Z?j(0^@`?33@$H܏esmc=S10-13%{gGMem{????????@*5AS@6σ@(@֘@? > ?Q?cJP “/`P ?cJ拽拽拽À`. @@ZW`?7 Nz۴?ww`?ww`?ww`??????ww`"low" = 0.125;"medium" = 0.125;"high" = 0.125;"very high" = 0.625;8JIK}(l(9d3ADA?V<?Ù@˩x`^?`?N8@ 8@?NǞ@  ?V<?Ù@?r?ߜ_7XWH!uF?zRzzzzRzzRR,"-" = 0.59;"+" = 0.41;8svD[\v@@(@(@(@(@(@/@@,p@(@(@(@(@,p@(@(@,p@(@(@(@,p@(@(@(@,p@(@/@@(@vw{ t]fŜFHw ?????????mv[BB#5XCC1(C)CC(=O)N(CCCCN2CCN(CC2)c3ncccn3)C(=O)C1!1Y%$8f(TJ`T\ hb$š9Pp􋍘  0oA}`c  N0TOFP"@(L!jp(,/R  OSA$daddd082-eeb1-4301-946a-5ab938f3a26155C1 13.866025 -0.06698737290C213 0.4330126350C3 13.866025 0.9330126640C412.5 -0.4330127540C511.5 -0.4330127540O611 -1.299038170N711 0.4330127240C810 0.4330127240C99.5 -0.4330126940 C108.5 -0.4330126640 C118 -1.299038170 N127 -1.299038050 C136.5 -0.4330126050 C145.5 -0.4330125750N155 -1.299038050C165.5 -2.165063620C176.5 -2.165063620C184 -1.299038050N19 3.50000024 -2.165063380C20 2.50000024 -2.165063380C21 2.00000024 -1.299037810C22 2.50000024 -0.4330124860N23 3.50000024 -0.4330125150C2411.5 1.299038170O2511 2.165063620C2612.5 1.299038170H27 13.5560265 -0.6039231420H28 14.4029608 -0.3769873380H29 14.1760254 0.4699481730H30 14.1760254 0.3960770370H31 14.4029608 1.243012790H32 13.5560265 1.469948170 H33 12.3923388 -1.043593650!H34 13.0826101 -0.6450651290"H35 10.1076622 1.043593650#H36 9.41739082 0.6450653080$H37 9.3923378 -1.043593650%H38 10.0826092 -0.6450650690&H39 8.6076622 0.1775682570'H40 7.91739035 -0.2209602890(H41 7.89233828 -1.909619090)H42 8.58260918 -1.511090520*H43 7.08260918 -0.2209602740+H44 6.39233828 0.1775683160,H45 5.60766172 0.1775683460-H46 4.91739035 -0.2209602150.H47 4.91739035 -2.377115960/H48 5.60766172 -2.7756445400H49 6.39233828 -2.7756445401H50 7.08260918 -2.3771159602H51 2.1900003 -2.7019991903H52 1.38000023 -1.2990378104H53 2.1900003 0.10392332805H54 13.0826101 1.5110907606H55 12.3923388 1.90961909057           ! "!#"$#%$&%' &( ') (* )+ *, +- ,. -/.0/1021324354657680H00000000-0000-0000-0000-000000000000y{KBI,M?ѲW?s@?ѲW?i)?v? ?g@?F ?-??@?)`?)`? ?)`?)`?y݀?ʹ?ʹ?ʹy݀?v?i)@1@?ح$J@=@"@!? ? ? ? ? ? ? ? ? @"΁@/ɀ@/ɀ@/ɀ@/ɀ@"@!@Qh{)UBPN<?r*`??r*`̀`P?N ? ?ѷ ? @0?5????5???ǁ7?/?ǁ7? 2x?@?פ`CMrzdr??`?LՀ@ʨ@`?O ? ?8`?݆@?瓠tt?rttK@ޙ?l\ޙ v_?7b ?bT?J.8nqb?_0?P?_0??0? ?8?UX?UX?8??p?p?̬?p?p?.??????0?@S?=ӼW0HiP???????@1BJg3Z-z?zzz?zzzRRzzzzz?zz2"no" = 0.73;"yes" = 0.27;8֬L":?R?33?R?z?z?R??????z?z?R?z?z??z?z?z?z?z6"low" = 0.49;"high" = 0.51;8MnH:wx#.?ݝ?ݝ?ݝ?ݝ>"-" = 0.0371353;"+" = 0.962865;8発KxBϚ=v?`?XR?v 2C9 pKi?*2D6 affinity category?(5HT1a affinity (pKi)? BBB category?坲 0BBB log([brain]:[blood])?鈁 HIA category?lP-gp category?PPB90 category?jhERG pIC50?logP?·logS?Oc aTE­Vٲ"Vd J m?v ?X ?.}?@`?3u?]@??(?R?̍֠?*?@`??@`?*?`? ?"?~Š?"? ?b'`~@? @?@&3A2jJzl[B >3@Z?j(0^@=p?33@$H܏esmc=S10-11%{gGMem{????????@*5AS@6I@̴n@õSwV@B$iig?e ?F?Ι ? ? ?Ι  mt`};m @&~@?7 Nz۴?G???????~"low" = 0.125;"medium" = 0.125;"high" = 0.5;"very high" = 0.25;8JIK}(l(9d3I:`sf@?Q3@?DG 8@ll ?Q3@?DG?s?$@p`?$@>A,@4{ޚ@A,@??ߜ_7XWH!uF?z?z?zRRz?z?z?zRz?z?z?zR?z?zz?zz,"-" = 0.55;"+" = 0.45;8svD[\v@@(@(@(@(@(@,p@(@/@@(@(@(@(@(@(@/@@,p@(@(@,p@(@(@(@,p@(@(@2`@(@,p@xw@t]fŜFHw ?????????əv[BB#5`CC(CCCN1C(=O)CC(C)(C)CC1=O)N2CCN(CC2)c3ncc(F)cn3!1Y%&9f(TJ`T\ hb$ ͡yPp􋍘! 0BoGpc!  N0VF2T"@(L! jt-/R* YOSA$25208c06-1d58-4c84-af9e-f26bc256da4b58C18.5 -2.165063620C28 -1.299038170C38.5 -0.4330126940C49.5 -0.4330126940C510 0.4330127240N611 0.4330127240C711.5 1.299038170O811 2.165063620C912.5 1.299038170 C1013 0.4330127240 C11 13.866025 -0.06698728350 C12 13.866025 0.9330127240 C1312.5 -0.4330127240 C1411.5 -0.4330127240O1511 -1.299038170N167 -1.299038170C176.5 -0.4330126940C185.5 -0.4330126940N195 -1.299038170C205.5 -2.165063620C216.5 -2.165063620C224 -1.299038170N233.5 -2.165063620C24 2.50000024 -2.165063620C25 2.00000024 -1.299038170 F26 1.00000012 -1.299038170C27 2.50000024 -0.4330126640N283.5 -0.4330126640H29 7.96306419 -2.475063560H30 8.80999947 -2.701999430H31 9.03693581 -1.855063680H32 7.69000006 -1.835973980 H33 8.6076622 0.1775682120!H34 7.91739035 -0.2209603490"H35 9.3923378 -1.043593650#H36 10.0826092 -0.6450650690$H37 10.1076622 1.043593650%H38 9.41739082 0.6450653080&H39 13.0826101 1.511090760'H40 12.3923388 1.909619090(H41 13.5560265 -0.6039230820)H42 14.4029608 -0.3769872190*H43 14.1760254 0.4699482920+H44 14.1760254 0.3960771560,H45 14.4029608 1.243012910-H46 13.5560265 1.469948290.H47 12.3923388 -1.043593650/H48 13.0826101 -0.64506506900H49 7.08260918 -0.22096034901H50 6.39233828 0.17756822702H51 5.60766172 0.17756822703H52 4.91739035 -0.22096033404H53 4.91739035 -2.3771159605H54 5.60766172 -2.7756445406H55 6.39233828 -2.7756445407H56 7.08260918 -2.3771159608H57 2.1900003 -2.7019994309H58 2.1900003 0.103923127060           ! "!#"$#%$&%'&(') (* )+ *, +- ,. -/ .0 /102132435465768798:9;0H00000000-0000-0000-0000-000000000000y{KBI,M??R ?i`? ?i@??X@@?,?X@?t?t?,?X@@?ǟ7?ۃ`?ۃ`?܉?ۃ`?ۃ`?B?ʁ ?̯`??ʁ @.?ح$J@=? ? ? @"@!@"@!? ? ? ? ? ? @"΁@/ɀ@/ɀ@/ɀ@/ɀ@Qh{)UBPN<?۽@?Պ???b?% )@?J?-?̝H?̝H7Y lK 5?o ????o ?ߢ@? ??i ?#^ ?? ? `CMrzdr?|<?i?2 ?o?T.l TV ?@??bc;@̧?|S|S?uq0|S|S5~ Ȁ?B/ u@?bT?J.8nqbF??p?!?ew'PdPZZw'P??G9bPG@Eg?=ӼW0HiP???????@1BJg3Z-?zPPPzz?R?z?z?zz?RzPzzz?zz2"no" = 0.51;"yes" = 0.49;8֬L":?z?????R?zR????zR?zzz?zz?z?z?R?z?R?z6"low" = 0.59;"high" = 0.41;8MnH:wx#.?ݝ?ݝ?ݝ?ݝ>"-" = 0.0371353;"+" = 0.962865;8発KxBϚ=v?S?C0?P)` 2C9 pKi?q`*2D6 affinity category?(5HT1a affinity (pKi)?5BBB category?Q0BBB log([brain]:[blood])??HIA category?lP-gp category?(PPB90 category?`AhERG pIC50?PRlogP?uh@logS?"@aTE­Vٲ"Vd J m?8 ?ܞu?&@?@?ګ? R_?X?F?U ? ?3] ;`t ?)`?ڦ?*@?F?*@?ڦ?@?0?y?V`?ā?y?0@?д'`QXJӴ\KSc >3@Z?j(0^@?33@$H܏esmc=S10-15%{gGMem{????????@*5AS@6;*оG}e\-`@ " @@PJF@?6?f ?xm?d@@?d@?xm{##͜}##?d?7 Nz۴?o?o?o?o?o?o?o?o"low" = 0.0555556;"medium" = 0.222222;"high" = 0.666667;"very high" = 0.0555556;8JIK}(l(9d3P  8LcD ?)?D?K4j@+@"Q "?K4?)?D?޸?3 ˜} ?3Zi@<dp<i@?߀?ߜ_7XWH!uFzzzzzQ?zzQ33z?z?z?z?z?z?z,"-" = 0.32;"+" = 0.68;8svD[\v@@(@(@(@(@(@,p@(@/@@(@(@(@(@(@(@(@(@/@@,p@(@(@,p@(@(@(@(@(@(@2`@(@(@yt]fŜFHw ?????????Eрv[BB#5dCC(CCCN1C(=O)CC2(CCCC2)CC1=O)N3CCN(CC3)c4ccc(F)cc4!1pfJ0"Ypf"%i!S;R8Xk jGxّ #q5A0r!%.*U( (Vo&k OSA$eadacc26-90cd-49dc-9fd4-cf1bb859181c64C18.5 -2.165063620C28 -1.299038050C38.5 -0.4330126640C49.5 -0.4330126640C510 0.4330127240N611 0.4330126940C711.5 1.299038050O811 2.165063620C912.5 1.299038050 C1013 0.4330126940 C11 13.5877857 1.242029670 C12 14.5388422 0.9330127240 C13 14.5388422 -0.06698731330 C14 13.5877857 -0.3760042790C1512.5 -0.4330126940C1611.5 -0.4330126940O1711 -1.299038050N187 -1.299038050C196.5 -0.4330126640C205.5 -0.4330126350N215 -1.299038050C225.5 -2.165063620C236.5 -2.165063620C244 -1.299037930C253.5 -0.4330126350C262.5 -0.4330126350C272 -1.299037930 F281 -1.299037930C292.5 -2.165063620C303.5 -2.165063620H31 7.96306419 -2.475063560H32 8.81000042 -2.701999430 H33 9.03693581 -1.855063680!H34 7.68999958 -1.835973620"H35 8.6076622 0.1775681380#H36 7.91739082 -0.2209601550$H37 9.3923378 -1.043593530%H38 10.0826092 -0.6450651880&H39 10.1076622 1.043593530'H40 9.41739082 0.6450651880(H41 13.0826092 1.511090520)H42 12.3923378 1.909618850*H43 13.839963 1.808427810+H44 13.0508499 1.552029850,H45 15.1554451 0.868205070-H46 14.6677465 1.539464240.H47 14.6677465 -0.6734387870/H48 15.1554451-0.0021796759700H49 13.0508499 -0.686004401H50 13.839963 -0.94240242202H51 12.3923378 -1.0435935303H52 13.0826092 -0.64506518804H53 7.08260918 -0.2209601405H54 6.39233828 0.17756815306H55 5.60766172 0.17756815307H56 4.91739035 -0.22096012508H57 4.91739035 -2.3771159609H58 5.60766172 -2.775644540:H59 6.39233828 -2.775644540;H60 7.08260918 -2.377115960<H61 3.80999994 0.103923120=H62 2.19000006 0.1039231270>H63 2.19000006 -2.701999430?H64 3.80999994 -2.70199943067             !" #!$"%#&$'%(&)'*(+), *- +. ,/ -0 .1 /2 03 1425364758697:8;9<:=;><?=@>A?B0H00000000-0000-0000-0000-000000000000y{KBI,M?ʈ ?_?\@?(@?r@?Y?π_E"@?`?I?ͺh?5_E?πT@?b@?b@?Ѥ}?b@?b@?T`? ? ?N @?0? ? @ b?ح$J@=? ? ? @"@!@"@!? ? ? ? ? ? ? @E{)UBPN<??=v?Ԑ`?C?^/ c?;R?Ȋ? ??B3 ?qęÐg}`?Z?E ??Z?m`?і-@?ե- ?[??ե- ?і-@?A ``CMrzdr?LG??b-?2?lS@/@kO`@l`IKOymY&qK`?@ 0j &&@?717ΐb`ΐ?717?3`?bT?J.8nqb?W@??I?I?q(? ?@?-??iP?W@?W@?W@?W@??@?-? ?}2??ʀ??}2?ƪt?op?P?P??P?op@"?=ӼW0HiP?????@1BJg3Z-zzzRzz?z?zz?zzz?R2"no" = 0.53;"yes" = 0.47;8֬L":z?녀?녀?녀?R? =??z?z?(?R?R?R??z??z?녀?R?R?z?R?R?녀?z?T?z?T?z6"low" = 0.45;"high" = 0.55;8MnH:wx#.?ݝ?ݝ?ݝ?ݝ?ݝ?ݝ>"-" = 0.0371353;"+" = 0.962865;8発KxBϚ=v??J? 2C9 pKi?*@*2D6 affinity category?@(5HT1a affinity (pKi)?`BBB category?^5@0BBB log([brain]:[blood])?@HIA category?lP-gp category?z@PPB90 category?z@hERG pIC50?NlogP?=logS?f`aTE­Vٲ"Vd J m?@?<?(0?@?ՠ?§`rN&Z??*`?נ`?x ?rd?i?'g`@?@???E?˙s?E???ײh?ƻV`?v ?V?Y?v ?ƻV`@Z`?/ `f:+0\M% jC >3@Z?j(0^@=p?33@$H܏esmc=S6-11%{gGMem{????????@*5AS@6@,eRG`?X?߿4f@-@9 rEj5t@f?e??t'O@v@v@@?(?7 Nz۴?ɗk?ɗk?ɛ?ɛ?ɗk?ɛ?ɛ?ɗkt"low" = 0.2;"medium" = 0.1;"high" = 0.5;"very high" = 0.2;8JIK}(l(9d3 ? `?^?0"`l ?S"@?`??3+ V i . ?3+ ?`?é@F @d ۯQK?MD@?MD@?@_7XWH!uFz?zzzz?z?z?zzzz("-" = 0.6;"+" = 0.4;8svD[\v@@(@(@(@,p@(@(@,p@(@(@,p@(@/@@(@(@(@(@(@(@(@(@/@@(@(@(@(@(@(@,p@/@@/@@yt]fŜFHw ?????????d@v[BB#5nCC1CN(CCN1CCN2C(=O)CC3(CCCC3)CC2=O)c4ccccc4[N+](=O)[O-]1pn ]YT`&5cjU8Xi `TbG<6` ȓHqNH5]"uPv )g/ NWh<ßHWoB(a OSA$932abfd9-462e-4888-add3-b437008c997460C17 -2.165063620C26.5 -1.299038050C35.5 -1.299038050N45 -0.4330126940C55.5 0.4330126940C66.5 0.4330126940N77 -0.4330126940C88 -0.4330126940C98.5 0.4330126940 N109.5 0.4330126940 C1110 1.299038050 O129.5 2.165063620 C1311 1.299038050 C1411.5 0.4330126940C15 12.0877857 1.242029670C16 13.0388422 0.9330127240C17 13.0388422 -0.06698729840C18 12.0877857 -0.3760042790C1911 -0.4330126940C2010 -0.4330126940O219.5 -1.299038050C224 -0.4330126940C233.5 -1.299038050C242.5 -1.299038050C252 -0.4330126940C262.5 0.4330126940C273.5 0.4330126940N284 1.299038051O295 1.299038050O303.5 2.16506362-1H31 6.46306419 -2.475063560H32 7.30999994 -2.701999430 H33 7.53693581 -1.855063680!H34 7.11999989 -1.299038050"H35 4.91739035 -1.511090520#H36 5.60766172 -1.909618850$H37 5.60766172 1.043593530%H38 4.91739035 0.6450651880&H39 7.08260965 0.6450651880'H40 6.39233828 1.043593530(H41 7.89233828 -1.043593530)H42 8.58260918 -0.6450651880*H43 8.6076622 1.043593530+H44 7.91739035 0.6450651880,H45 11.5826092 1.511090520-H46 10.8923378 1.909618850.H47 12.339963 1.808427810/H48 11.5508499 1.5520298500H49 13.6554461 0.8682050701H50 13.1677465 1.5394642402H51 13.1677465 -0.67343878703H52 13.6554461-0.0021796531504H53 11.5508499 -0.686004405H54 12.339963 -0.94240242206H55 10.8923378 -1.0435935307H56 11.5826092 -0.64506518808H57 3.80999994 -1.8359739809H58 2.19000006 -1.835973980:H591.38 -0.4330126940;H60 2.19000006 0.969948471063             !" #!$"%#&$'%(&)'*(+),*-+. ,/ -0.1/2031425364758697:8;9<:=;>0H00000000-0000-0000-0000-000000000000y{KBI,M?c#?ƀ?\Y??H?H?s?D?{?m+1>`?e ?$@?M@?= 1>?m+?y`?Oà?Oà?Oà?Oà?@ ?Ԡ( ( @`?ح$J@=? ? ? ? ? ? ? ? ? @"@!@"@!? @\)@3p@&@&@Vk {)UBPN<? `??Yq ?E5?5)?K?/@-?P? ?dU?7?\`?ÿ ؠ`1+?䳒?*?ؠ?Ы?!$?.?9?`CMrzdr?h -l"nini??S?ZA~y[: ?A?a`?cn?bG?%`~V x`?|T?] lZ hP?d?@KKK?N T?J.8nqb?X ?p?d?`?E?E?@?b?{?`?{>>?{?{?b??? ? ??t?L??@?=ӼW0HiP????????@ 1BJg3Z-zzzzz?z?z?z?z?z?z?z?R?R?z?z?z2"no" = 0.55;"yes" = 0.45;8֬L":zz?zz?z?z?R?R?z?zz?R?z?Rzz?z?R?zz?Rzz?zzzz6"low" = 0.59;"high" = 0.41;8MnH:wx#.?1?1("-" = 0.2;"+" = 0.8;8発KxBϚ=v??%? 2C9 pKi?p@*2D6 affinity category?G (5HT1a affinity (pKi)?5BBB category?p0BBB log([brain]:[blood])?%HIA category?\@P-gp category?PPB90 category?`AhERG pIC50?尳`logP?v`logS?}aTE­Vٲ"Vd J m?d?k?fx ?֡?E?]?2`?2?g?.`_?`?]@?: ?) ?;n@??u+ } ? ?tŀ?V?n?ñ`?@?} `} `@l?? OI A@bX$ >3@Z?j(0^@ ?33@$H܏esmc=S6-18%{gGMem{????????@*5AS@6fɒm`?om`??u?i`_u@?5`???@?~0@^r@?? d4? ? d48C&2P@?7 Nz۴"low" = 0.2;"medium" = 0.6;"high" = 0.166667;"very high" = 0.0333333;8JIK}(l(9d3 G@ 6?y?G??T<?1?C7{܎҄'?>m`ZE( W@``rI`W@?y?G??ߜ_7XWH!uFzzz(pzzGpz?z?z?z?z?z?z?zz(,"-" = 0.27;"+" = 0.73;8svD[\v@@(@(@(@(@(@(@/@@,p@(@(@,p@(@(@,p@(@(@(@(@(@A@(@(@(@A@(@/@@(@yůt]fŜFHw ?????????v[BB#5bCCC1(C)CC(=O)N(CCN2CCN(CC2)c3cc(Cl)ccc3Cl)C(=O)C1%3p fQ2\VYƠ"$Cuj8X`Hk  :Hq 5U"X0t(%': U)Vl(m {OSA$8fd9a335-aed5-4d78-b74b-0304685eba4d54C1 12.366025 1.933012720C2 12.366025 0.9330126640C311.5 0.4330126940C4 12.366025 -0.06698730590C511 -0.4330127540C610 -0.4330127540O79.5 -1.299038170N89.5 0.4330127240C98.5 0.4330127240 C108 -0.4330127240 N117 -0.4330127240 C126.5 0.4330127240 C135.5 0.4330127540 N145 -0.4330126940C155.5 -1.299038170C166.5 -1.299038170C174 -0.4330126940C183.5 -1.299038170C19 2.50000024 -1.299038170Cl20 2.00000024 -2.165063620C21 2.00000024 -0.4330126940C22 2.50000024 0.4330127540C233.5 0.4330127540Cl244 1.299038170C2510 1.299038170O269.5 2.165063620C2711 1.299038170H28 12.9860249 1.933012720H29 12.366025 2.553012610H30 11.7460251 1.933012720H31 12.5780773 0.3504032790H32 12.9766064 1.040674690 H33 12.0560255 -0.6039231420!H34 12.9029608 -0.3769872490"H35 12.6760254 0.4699482620#H36 10.8923378 -1.043593650$H37 11.5826092 -0.6450650690%H38 8.6076622 1.043593650&H39 7.91739035 0.6450653080'H40 7.89233828 -1.043593650(H41 8.58260918 -0.6450650690)H42 7.08260918 0.6450653080*H43 6.39233828 1.043593650+H44 5.60766172 1.043593650,H45 4.91739035 0.6450653080-H46 4.91739035 -1.511090520.H47 5.60766172 -1.909619090/H48 6.39233828 -1.9096190900H49 7.08260918 -1.5110905201H50 3.80999994 -1.8359739802H51 1.38000035 -0.43301266403H52 2.1900003 0.9699485904H53 11.5826092 1.5110907605H54 10.8923378 1.90961885056             ! "!#"$#%$&%'&( ') (* )+ *, +- ,.-/.0/10213243546570H00000000-0000-0000-0000-000000000000y{KBI,M?Ѯ?~?Q6`?Ѕ' ?bH?i- ??`?E@?7F`?7F`?y?<`?<`?霂`?ʎ?`?Ԛ`?ʎ?ʎ?`?Ԛ`?i- ?bH@ @ ?ح$J@=@"@!? ? ? ? ? ? ? ? ? ? @"@!@E{)UBPN<? ?ӆ?`?; +2~j?l? ? ?'(? ? ?4?=@??j@?@?@?=@?j@?s?k?@?=ӼW0HiP?????@1BJg3Z-?P?P?z?Pzz?z?z?z?z?z?z?z?z?zz2"no" = 0.42;"yes" = 0.58;8֬L":?zz?z?zzz? =? =z?R?Rz?R?Rz?z?z?zz?z6"low" = 0.55;"high" = 0.45;8MnH:wx#.?ݝ?ݝ>"-" = 0.0371353;"+" = 0.962865;8発KxBϚ=v??`?_K 2C9 pKi?`*2D6 affinity category?{`(5HT1a affinity (pKi)?BBB category??}0BBB log([brain]:[blood])?HIA category?lP-gp category?QPPB90 category?`hERG pIC50?U`logP?ilogS?aTE­Vٲ"Vd J m?' ?̓w@?˰-?1?o-z?ӂ?ؼ??O??@??6`?Y?XK ?:? g?R?y3?Tu?)= ?ÅH?sssGz?b@]?6 ^sBs>Q >3@Z?j(0^@G ?33@$H܏esmc=S6-37%{gGMem{??????@*5AS@6Ҥg@E5@5@ 5@5@ǎ@? ?`?f&fe`$̀W 3q:h`>` S Y?O@?`? @i@?7 Nz۴?xU?o@@?o?xU?xU?o? `? `? `@@"low" = 0.0555556;"medium" = 0.222222;"high" = 0.666667;"very high" = 0.0555556;8JIK}(l(9d3? c)?`7 W`@ W`7 @lp?d?ת ?s`?g?r@?v=g@Y|??g?r@?dlp?? `?ߜ_7XWH!uF?z?z?z?z?z?zQ?z?zQ?z?zəG?z?z?z?z?z?z?zG?z?z,"-" = 0.31;"+" = 0.69;8svD[\v@@2`@(@(@(@(@(@(@,p@(@(@,p@(@(@,p@(@/@@(@(@(@(@(@(@(@(@/@@(@(@wWu@t]fŜFHw ??????? v[BB#5ZFc1ccc(cc1)N2CCN(CCN3C(=O)CC4(CCCC4)CC3=O)CC2!1pf\"YP "%k1Sj8Xi bG8 "Iq 5 Q0v!%/* U( (Vo&(C OSA$f8c417a2-1113-4fc5-9633-463b0412610055 F11 -0.4330126940C22 -0.4330126940C32.5 -1.299038050C43.5 -1.299038050C54 -0.4330126940C63.5 0.4330126940C72.5 0.4330126940N85 -0.4330126940C95.5 0.4330126940 C106.5 0.4330126940 N117 -0.4330126940 C128 -0.4330126940 C138.5 0.4330126940 N149.5 0.4330126940C1510 1.299038050O169.5 2.165063380C1711 1.299038050C1811.5 0.4330126940C19 12.0877857 1.242029670C20 13.0388422 0.9330127240C21 13.0388422 -0.06698729840C22 12.0877857 -0.3760043080C2311 -0.4330126940C2410 -0.4330126940O259.5 -1.299038050C266.5 -1.299038050C275.5 -1.299038050H28 2.19000006 -1.835973740H29 3.80999994 -1.835973740H30 3.80999994 0.9699484710H31 2.19000006 0.9699484710H32 5.60766172 1.043593530 H33 4.91739035 0.6450651880!H34 7.08260918 0.6450651880"H35 6.39233828 1.043593530#H36 7.8923378 -1.043593530$H37 8.58260918 -0.6450651880%H38 8.6076622 1.043593530&H39 7.91739082 0.6450651880'H40 11.5826092 1.511090640(H41 10.8923378 1.909618970)H42 12.339963 1.808427930*H43 11.5508499 1.552029850+H44 13.6554461 0.868205070,H45 13.1677465 1.539464240-H46 13.1677465 -0.6734387870.H47 13.6554461-0.002179642910/H48 11.5508499 -0.686004400H49 12.339963 -0.94240248201H50 10.8923378 -1.0435935302H51 11.5826092 -0.64506518803H52 6.39233828 -1.9096188504H53 7.08260918 -1.5110905205H54 4.91739035 -1.5110905206H55 5.60766172 -1.90961885058           !" # !$ "% #& $' %( &)'*(+),*-+.,/-0.1/2031425364758690H00000000-0000-0000-0000-000000000000y{KBI,M???R?R?Fl?R?R?i+?/ `?/ `mt?u ?j??٨~c ?›?F`?t`?uc ?٨~?/ `?/ `@ ?ح$J@=? ? ? ? ? ? ? ? @"@!@"@!? ? @E{)UBPN<?i?Ɋ?F?w?f?w?F??@?ԡ?ӓ` [`ε@?@?Š?[??c?Ȧ"ȶ@C {?@??@`CMrzdr|`a?zA ?Pl`?zA a`4@4@?&?@?`+`@0?l$`?l4@?j@?K C "4@4@?Q`?bT?J.8nqb?v?5?^?^?8?^?^?/@@??Vp?Vp??¼~?v?v?¼@@@t?=ӼW0HiP?????@1BJg3Z-?R?zz?z?zzz?z?zzzzzzz?z?z2"no" = 0.58;"yes" = 0.42;8֬L":zzRz?zR?Pzz??z?z?z?zz??Q?z?z?z?z??zzzz6"low" = 0.61;"high" = 0.39;8MnH:wx#.?ݝ?ݝ?ݝ?ݝ>"-" = 0.0371353;"+" = 0.962865;8発KxBϚ=v??W? 2C9 pKi? *2D6 affinity category?@(5HT1a affinity (pKi)?BBB category?C0BBB log([brain]:[blood])? 3 HIA category?lP-gp category?GPPB90 category? hERG pIC50?logP?VlogS?@aTE­Vٲ"Vd J m?+ ?t?ň@?ε`?׵`?ε`?ň@?՗??l??o??4z W@?X?4??&?7@??A y@?l?@ ?5Ϻ/E\v? >3@Z?j(0^@\ ?33@$H܏esmc=S6-13%{gGMem{??????@*5AS@6я5{   5{ я3[` π?@? ?ݠhŀ@ z@Nz//*?0? ?Ye`? ?@@8R?7 Nz۴?o?o?o?o?o?o"low" = 0.0555556;"medium" = 0.222222;"high" = 0.666667;"very high" = 0.0555556;8JIK}(l(9d3nt| nÃ`k+`*U?~???ڢX~k<?]D`?,`?dȻ`t ~;`@TF ?dȻ`?]D`?,`??~???ߜ_7XWH!uF?z?z?z?z?z?zz?z33zz33z33,"-" = 0.24;"+" = 0.76;8svD[\v@@A@(@(@(@(@A@(@(@,p@(@(@,p@(@(@,p@(@/@@(@(@(@(@(@(@(@(@(@/@@(@(@{fI t]fŜFHw ???????v[BB#5fClc1ccc(Cl)c(c1)N2CCN(CCN3C(=O)CC4(CCCCC4)CC3=O)CC2'3p fQ2\"YSƠ"%Cuj8XiHk  :Hq 5U"X1v(%/: U)^m(m OSA$1f5b0143-6259-4705-a4be-cf9e7d6dd6f558Cl1 1.95543611 -2.11942530C2 2.4683919 -1.261010170C3 1.98146081 -0.3875698150C4 2.49441671 0.4708451930C5 3.4943037 0.4558198450Cl6 4.00725985 1.314234850C7 3.98123503 -0.417620510C8 3.46827912 -1.276035550N9 4.98112202 -0.4326458280 C10 5.49407816 0.425769180 C11 6.49396515 0.4107438330 N12 6.98089647 -0.4626965220 C13 7.98078346 -0.477721840 C14 8.49373913 0.3806931670N15 9.49362659 0.365667820C16 10.0065823 1.224082830O17 9.51965141 2.097523210C18 11.0064697 1.209057450C19 11.4934006 0.3356171550C20 12.0063562 1.194032190C21 13.0062437 1.179006810C22 13.4931746 0.305566490C23 12.9802189 -0.5528485180C24 11.9803314 -0.53782320C25 10.9804449 -0.5227978830C26 9.98055744 -0.5077725050O27 9.46760178 -1.366187570C28 6.46794033 -1.321111560C29 5.46805334 -1.306086180H30 1.3615309 -0.3782541160H31 2.19251943 1.012378220H32 3.77017641 -1.817568540 H33 5.61090183 1.034663560!H34 4.91472054 0.646551490"H35 7.07969475 0.6140183210#H36 6.39548969 1.022873520$H37 7.86395931 -1.086616160%H38 8.56014061 -0.6985043880&H39 8.61056328 0.9895874860'H40 7.91438198 0.6014754770(H41 11.5921993 1.412332060)H42 10.9079943 1.821187140*H43 12.1231804 1.802926540+H44 11.4269991 1.414814470,H45 13.5919733 1.38228130-H46 12.9077682 1.79113650.H47 13.962081 -0.1000528780/H48 13.9740572 0.69691336200H49 12.8633957 -1.1617429301H50 13.559577 -0.77363109602H51 11.3946018 -0.74109792703H52 12.0788069 -1.1499528904H53 10.8636208 -1.1316921705H54 11.5598021 -0.74358040106H55 6.35111666 -1.9300059107H56 7.04729795 -1.5418940808H57 4.88232374 -1.5093609109H58 5.5665288 -1.91821587061           !" # !$ "% #& $' %( &) '*(+),*-+.,/-0.1/2031425364758697:8;9<0H00000000-0000-0000-0000-000000000000y{KBI,M?'?i(?L?L?i(?'?@?L?l`?^u?^ut ?R ?)`??Y:)`® @?y?з`?Ѕ%?Ѕ%?]@® ?Y:)`?^u?^u@ N?ح$J@=? ? ? ? ? ? ? ? @"@!@"@!? ? @E{)UBPN<?я_?؍P`?&@?YH?C?O??*@i?S`?D`?Ш?Ws`܀?^-?,?`?`?(`?3@?]N0楀҂E?D?S`@`CMrzdrc@i`i`?aD2@c@j`qe))?”???*`̀0`  9?Y2?W?W'r.|@$))?d%?bT?J.8nqb?rXp?L?rX?@?r!)??U -0 pSppp-0 @b ?=ӼW0HiP?????@1BJg3Z-?z?z?z?z?z?z?zzzz?z?z?z."no" = 0.5;"yes" = 0.5;8֬L":?z?zzz?z?zz?z?z?z?z?z?R?z?zzz?z6"low" = 0.51;"high" = 0.49;8MnH:wx#.?ݝ?ݝ>"-" = 0.0371353;"+" = 0.962865;8発KxBϚ=v?' ?Y?M_@ 2C9 pKi?@*2D6 affinity category?@(5HT1a affinity (pKi)?̠BBB category?Ƨ0BBB log([brain]:[blood])?H@HIA category?lP-gp category?PPB90 category?/ hERG pIC50?)_logP?logS?d,aTE­Vٲ"Vd J m?F~ ?mh?D???=*? `?Į;??}?6?:?H ?Ǐ?èbb?w]?T߀? ?C?v?=??d @?6?}@?W/C $%:z >3@Z?j(0^@`?33@$H܏esmc=S10-12%{gGMem{????????@*5AS@6j X j }`@?R@DY ˼WlV??$@?`?`{?`?`?$@&`hV*v@hV&`- @@I?7 Nz۴?????G?G?G?G???G?~"low" = 0.125;"medium" = 0.125;"high" = 0.5;"very high" = 0.25;8JIK}(l(9d3zC@zUo`?@?{ @ e``?؂?9Zg`T`g`?9Zǀ pB@@pB?@?{ @Uo`?Ġ?ߜ_7XWH!uFzzzzzzz?zzzz,"-" = 0.58;"+" = 0.42;8svD[\v@@(@(@(@(@(@/@@,p@(@(@(@(@,p@(@(@,p@(@(@(@,p@(@(@2`@(@,p@(@/@@(@wTt]fŜFHw ?????????{ v[BB#5^CC1(C)CC(=O)N(CCCCN2CCN(CC2)c3ncc(F)cn3)C(=O)C1!1Y%&8f(TJ`T\ hb$ ͡yPp􋍘! 0BoGpc!  N0VFT"@(L! jp-/R  OSA$7f3531ee-3639-4427-b24e-595133fc0d7d55C1 13.866025 -0.0669873580C213 0.4330126640C3 13.866025 0.9330126640C412.5 -0.4330127840C511.5 -0.4330127540O611 -1.299038170N711 0.4330126940C810 0.4330127240C99.5 -0.4330126640 C108.5 -0.4330126640 C118 -1.299038170 N127 -1.299038050 C136.5 -0.4330126050 C145.5 -0.4330125750N155 -1.299038050C165.5 -2.165063620C176.5 -2.165063620C184 -1.299038050N193.5 -2.165063380C20 2.50000024 -2.165063380C21 2.00000024 -1.299037930 F22 1.00000012 -1.299037810C23 2.50000024 -0.4330124860N243.5 -0.4330125150C2511.5 1.299038170O2611 2.165063620C2712.5 1.299038170H28 13.5560265 -0.6039231420H29 14.4029608 -0.3769873080H30 14.1760254 0.4699482020H31 14.1760254 0.3960770670H32 14.4029608 1.243012790 H33 13.5560265 1.469948170!H34 12.3923388 -1.043593650"H35 13.0826101 -0.6450651290#H36 10.1076622 1.043593650$H37 9.41739082 0.6450653080%H38 9.3923378 -1.043593650&H39 10.0826092 -0.6450650690'H40 8.6076622 0.1775682420(H41 7.91739035 -0.2209602890)H42 7.89233828 -1.909619090*H43 8.58260918 -1.511090520+H44 7.08260918 -0.2209602740,H45 6.39233828 0.1775683160-H46 5.60766172 0.1775683460.H47 4.91739035 -0.2209602150/H48 4.91739035 -2.3771159600H49 5.60766172 -2.7756445401H50 6.39233828 -2.7756445402H51 7.08260918 -2.3771159603H52 2.1900003 -2.7019991904H53 2.1900003 0.10392332105H54 13.0826101 1.5110906406H55 12.3923388 1.90961909057           ! "!#"$#%$&%'&( ') (* )+ *, +- ,. -/ .0/1021324354657680H00000000-0000-0000-0000-000000000000y{KBI,M?ь4?OA?ь4?`?4Ҡ@?c?n ?#??l??}?`?}?`?J?}?`?}?`? `?ʣ ?ͺk??ʣ `?4Ҡ@?`@n@?ح$J@=@"@!? ? ? ? ? ? ? ? ? @"΁@/ɀ@/ɀ@/ɀ@/ɀ@"@!@Qh{)UBPN<?̺ ?"?̺ @L` ?Ѿ?y4 ? ?҈`?k`??@??k`?g@?I?Y?e?;?Y?IIB܁??Y`CMrzdr?`?„?I5^T˵Vf?`?wQ@??J?[ ``?P;@``Qf@ {~?2 f@=o@b=?bT?J.8nqb??????]??0?2?‡?‡?2? ?e0?e0?d?e0?e0?[?~?08??z?08?~??]@ ?=ӼW0HiP???????@1BJg3Z-?z?z?zz?z?Rzz?z?zz?R?z?Rz2"no" = 0.53;"yes" = 0.47;8֬L":??z??z?Rz?z?R???z?z?zz?z?Rz?z2"low" = 0.6;"high" = 0.4;8MnH:wx#.?ݝ?ݝ?ݝ?ݝ>"-" = 0.0371353;"+" = 0.962865;8発KxBϚ=v? ?K? 2C9 pKi?Ҡ*2D6 affinity category?(5HT1a affinity (pKi)?Ⱥ`BBB category?0BBB log([brain]:[blood])?%HIA category?lP-gp category?z@PPB90 category?phERG pIC50?|logP?logS?raTE­Vٲ"Vd J m?)?t?t ?+ z CL?~@?Y;? ?P@??G?!7 ? ?ZԀ? ?!7 ?Կ( ?j?-w`?υ>@?ĩ@?-w`?j?!@ͷ8?@rU?ru^{O. >3@Z?j(0^@?33@$H܏esmc=S6-12%{gGMem{??????@*5AS@6 `` `rU@?n?D#?@?jÀ0$Dt4@ Ep`??x?_,?D#?n@x?7 Nz۴ږږ"low" = 0.2;"medium" = 0.6;"high" = 0.166667;"very high" = 0.0333333;8JIK}(l(9d38 DŽŽe8 á``Tm<@?Bz?@#ŠX ?I?o@?uf ck4?uf?I?o@?Bzm<@?4?ߜ_7XWH!uF?z?z?z?z?z?zz?z =?z?zz =?z?z?z?z?z?z?z?z?z,"-" = 0.24;"+" = 0.76;8svD[\v@@A@(@(@(@(@A@(@(@,p@(@(@,p@(@(@,p@(@/@@(@(@(@(@(@(@(@/@@(@(@ynt]fŜFHw ??????? v[BB#5bClc1ccc(Cl)c(c1)N2CCN(CCN3C(=O)CC4(CCC4)CC3=O)CC2%3p fQ2\YƠ"%Cuj8XiHk  :Hq 5U"X0~(%o: U)Vl(m OSA$790df10c-8d19-4cf9-a90d-63e0deced64e52Cl1 2.02370143 -2.197028880C2 2.51422143 -1.325598720C3 2.0048008 -0.4650810660C4 2.49532056 0.4063490030C5 3.49526095 0.4172613320Cl6 3.98578072 1.28869140C7 4.00468159 -0.4432563780C8 3.51416159 -1.314686420N9 5.00462198 -0.4323440490 C10 5.49514198 0.439086020 C11 6.49508238 0.4499983490 N12 7.00450277 -0.4105193610 C13 8.00444317 -0.3996070330 C14 8.49496269 0.4718230370N15 9.49490356 0.4827353660C16 9.98542309 1.354165430O17 9.47600269 2.214683060C18 10.985364 1.365077730C19 11.4947844 0.5045600530C20 12.1941328 1.219340680C21 12.9089136 0.5199924110C22 12.2095652 -0.1947884860C23 11.0042648 -0.3668700160C24 10.004324 -0.3777823450O25 9.51380444 -1.249212380C26 6.51398277 -1.28194940C27 5.51404238 -1.29286170H28 1.38483775 -0.47184670H29 2.179479840.939870H30 3.83000231 -1.848207470H31 5.59613419 1.050805450H32 4.91025305 0.6447681190 H33 7.07534313 0.6683956980!H34 6.38076401 1.059368130"H35 7.90345097 -1.011326430#H36 8.58933163 -0.6052891020$H37 8.59595585 1.083542470%H38 7.91007423 0.6775051360&H39 11.5656242 1.583475110'H40 10.8710451 1.974447490(H41 12.6277285 1.662504670)H42 11.7509689 1.652936580*H43 13.3520784 0.08639658240+H44 13.3425093 0.9631563430,H45 11.7759695 -0.6379526260-H46 12.652729 -0.628384590.H47 10.9032717 -0.9785891770/H48 11.5891533 -0.57255232300H49 6.41299057 -1.8936687701H50 7.09887171 -1.4876316802H51 4.93378162 -1.5112593203H52 5.62836075 -1.90223145055           ! " # !$ "% #& $' %(&)'*(+),*-+.,/-0.1/2031425360H00000000-0000-0000-0000-000000000000y{KBI,M??-`?ǟ: ?ǟ: ?-`??<`?ǟ: ?D@?j`?j`"`??b?&S?~K@fM?5@?@@?p@fM?~K@?j`?j`@ ?ح$J@=? ? ? ? ? ? ? ? @"@!@"@!? ? @E{)UBPN<?Oe?{?*? ?E? ? f`?<?r?;@S?ЏÀ?m`@+`΅ ?O5?я?v?ǘ/?7y`9 WV ?;@?r@P@`CMrzdr;K@K@?sɻn buB~dI`dI`?NX?6?G J!%`aM:?]or`m! @dI`dI`?F?bT?J.8nqb??n???ɝ??{ ??P??@?T<?T<??H?@?@?@??Y??@?H?@??@`?=ӼW0HiP?????@1BJg3Z-?z?z?z?z?z?zzz?z?z?z?zz?z?z?z?z?z2"no" = 0.52;"yes" = 0.48;8֬L":?z?R?z?z?R?z?z?z?zz???z?R?z?z?R??R?z?R?z?z?z6"low" = 0.56;"high" = 0.44;8MnH:wx#.?ݝ?ݝ>"-" = 0.0371353;"+" = 0.962865;8発KxBϚ=v?` ?YS?Y 2C9 pKi?*2D6 affinity category?{`(5HT1a affinity (pKi)? BBB category?Ƨ0BBB log([brain]:[blood])?1HIA category?lP-gp category?QPPB90 category?/hERG pIC50?`logP?ٝ`logS? TaTE­Vٲ"Vd J m?I?J?`?i?:`?@?)?{? ? `??R?9O`?غ?)}$Q1?? ?7??`?ڀ?Z[ ?? `@`?H?G@o^ >3@Z?j(0^@?33@$H܏esmc=S6-16%{gGMem{????????@*5AS@6?cB8p3 7i?ĕ`?j?``l $`k)@@kZ ?ß@?C`?ß@Z _@?q?ĕ`7i@`?7 Nz۴踋踋踋踋踋踋踋踋"low" = 0.545455;"medium" = 0.272727;"high" = 0.0909091;"very high" = 0.0909091;8JIK}(l(9d3?z?D ٠ η@Ɛe@K?Ag?Mc`U@9`?1??Es?P?`?Ӄ ?`?P?Es?1??AgK@&_7XWH!uFzzzR?zzRz?zzz?z,"-" = 0.57;"+" = 0.43;8svD[\v@@(@/@@(@(@(@(@(@(@,p@(@(@,p@(@(@,p@(@/@@(@(@(@(@,p@(@(@(@(@/@@(@(@yC@t]fŜFHw ?????????v[BB#5ZCOc1ccccc1N2CCN(CCN3C(=O)CC4(CCNCC4)CC3=O)CC2!3qfS_;VY^ €"$C1jXx bE8  ( Hq4 5<?0H00000000-0000-0000-0000-000000000000y{KBI,M?ց?E?Ď?W ?W ?W ?W ??,???U5??꿃?d?p H| ?Ⰰ?P?@?@?P| ?p H???B?ح$J@=@`@`@`? ? ? ? ? ? ? ? @"@!@ =@ =@ =@"@!? ? @PG{)UBPN<??ܝ`??`?vJ@?J?7?n?dW?; ?:?@??˚#@@@PU ? ?c?qc?5@^C?5@?qcy+@ɛ??:? `CMrzdrGw?tQ6T:?? Ԡ? Ԡ?R!?. ?]?/`"@fb?>?IF?ţ ڷ?ţ ?>` ? T?J.8nqb? `?wO??uu??@?K@?k?kP? `? `???@p00?q?Q*?q00??@p?k?k@}?=ӼW0HiP???????@1BJg3Z-?z?zzz?z?z?z?z?z?z?z?z?z2"no" = 0.46;"yes" = 0.54;8֬L":z?R?z?z?z?z?z?z?z?z?zR?R? =?RR?R?R?zR6"low" = 0.62;"high" = 0.38;8MnH:wx#.?ݝ?ݝ>"-" = 0.0371353;"+" = 0.962865;8発KxBϚ=v?N?`? 2C9 pKi? *2D6 affinity category?A*@(5HT1a affinity (pKi)? BBB category?0BBB log([brain]:[blood])?%HIA category?lP-gp category?\)PPB90 category?hhERG pIC50?4logP?qlogS?aTE­Vٲ"??Vd J m?`?Z`?я@?T?04?!o@?Ƹ?^U`?m?F ?H?`?E2 ?ѣ?qM͔ ??A@?\@?_`z?_`?.? O?H?F @*9?w@k3@Z?j(0^@`?33@$H܏esmc=S10-22%{gGMem{??????????@*5AS@6? q@HP`2LZ?@?p) p4˓w`.`wB2`J @oӠ r`p?q?@LZ@d?7 Nz۴?o?xU?xU?o?o?xU?xU?xU?xU?o"low" = 0.0555556;"medium" = 0.222222;"high" = 0.666667;"very high" = 0.0555556;8JIK}(l(9d3?:?lܲ@q;ťM`q;`z,o?]R?K؀<g J@Q nu@?b?^`?J?g^a`sx ?J?b?^`?]Rz,o@Ϲ ?ߜ_7XWH!uF?z?z?z?z?z?z?z?z?zz?z?z?z?zzzzzzzzz?z?z,"-" = 0.46;"+" = 0.54;8svD[\v@@(@/@@(@(@(@(@(@(@,p@(@(@,p@(@(@(@(@,p@(@/@@(@(@(@(@(@(@(@(@/@@(@(@yt]fŜFHw ???????????&v[BB#5`COc1ccc(cc1)N2CCN(CCCCN3C(=O)CC4(CCCC4)CC3=O)CC2!1pf5Z";Ypb"%A!;RX{ jAx왙" > q$Z1=]"H0r)%.VU8 B(VxI OSA$c7f4d183-d8be-4554-967b-49df5ac2f06165C1 0.500000119 -2.165063620O2 1.00000024 -1.299037930C32 -1.299037930C42.5 -2.165063620C53.5 -2.165063620C64 -1.299037930C73.5 -0.4330126050C82.5 -0.4330125750N95 -1.299038050 C105.5 -2.165063620 C116.5 -2.165063620 N127 -1.299038050 C138 -1.299038050 C148.5 -0.4330126640C159.5 -0.4330126640C1610 0.4330126940N1711 0.4330126940C1811.5 1.299038050O1911 2.165063620C2012.5 1.299038050C2113 0.4330126350C22 13.5877857 1.242029670C23 14.5388412 0.9330127240C24 14.5388412 -0.06698735060C25 13.5877857 -0.3760043380C2612.5 -0.4330126940C2711.5 -0.4330126940O2811 -1.299038050C296.5 -0.4330126350C305.5 -0.4330126050H31 -0.0369356759 -1.855063560H32 0.190000176 -2.701999430 H33 1.03693593 -2.475063560!H34 2.19000006 -2.701999430"H35 3.80999994 -2.701999430#H36 3.80999994 0.1039231570$H37 2.19000006 0.1039231790%H38 4.91739035 -2.377115960&H39 5.60766172 -2.775644540'H40 6.39233828 -2.775644540(H41 7.08260918 -2.377115960)H42 7.8923378 -1.909618850*H43 8.58260918 -1.511090520+H44 8.6076622 0.1775681380,H45 7.91739082 -0.220960140-H46 9.3923378 -1.043593530.H47 10.0826092 -0.6450651880/H48 10.1076622 1.0435935300H49 9.41739082 0.64506518801H50 13.0826092 1.5110905202H51 12.3923378 1.9096188503H52 13.839963 1.8084278104H53 13.0508499 1.5520298505H54 15.1554451 0.86820495106H55 14.6677465 1.5394642407H56 14.6677465 -0.67343884708H57 15.1554451-0.0021796529209H58 13.0508499 -0.686004460:H59 13.839963 -0.9424023630;H60 12.3923378 -1.043593530<H61 13.0826092 -0.6450651880=H62 7.08260918 -0.2209601250>H63 6.39233828 0.1775681670?H64 5.60766172 0.1775681820@H65 4.91739035 -0.220960096068           !" #!$"%#&$' %( &) '* (+ ), *- +. ,/-0.1/2031425364758697:8;9<:=;><?=@>A?B@C0H00000000-0000-0000-0000-000000000000y{KBI,M??#?巀?\?\??\?\?} ?D`?D`R?u ? ?1?,-?k?Ѹ@m? ?*?k@?Š@?Ѹ?D`?D`@D`?ح$J@=@`@`@`? ? ? ? ? ? ? ? @"@!@"@!? ? @J {)UBPN<?E?Ua`??ь?r@?U ?r@?ь?~?Ɠ @?dQ?_ ?H?zL?X@?p2?&`?ɘ ?Q`?ȩ!?`65, ?d?Ɠ @?`CMrzdr @`e@?[u a2 ?[u e@ff??7`?+p?0?\\`(I@@?r9֠`E* My?@7S mff?uv?bT?J.8nqb????+?+?ڨ?+?+????X@?@?e?e?@?J?po?f|?R?@???@?f|?po??@X@?=ӼW0HiP??????@1BJg3Z-RRRz?zzzzzz?z?z?zzzzz?z?z2"no" = 0.55;"yes" = 0.45;8֬L":z?z?z?z?z?z?z?z?P?P?z?????Q?Qz?Q??z???z?Q?Qz?P?P6"low" = 0.48;"high" = 0.52;8MnH:wx#.?ݝ?ݝ?ݝ?ݝ?ݝ?ݝ?ݝ?ݝ>"-" = 0.0371353;"+" = 0.962865;8発KxBϚ=v?f`?N? 2C9 pKi?*2D6 affinity category?@(5HT1a affinity (pKi)?@BBB category?l0BBB log([brain]:[blood])? xHIA category?lP-gp category?PPB90 category? hERG pIC50?= logP?K`logS?aTE­Vٲ"Vd J m??V?N`?y.? ?װ#? ?y.?˸`?Z?1@?:@?&?ٷ ?@?w ?b@c$`$?{`?b?9΀??r?@?@ϴD?1@?Z@?`zI5N=|!S >3@Z?j(0^@Q?33@$H܏esmc=S10-7%{gGMem{????????@*5AS@6?r{`P F@A/@5 oB`b Hw?Lk` QU /@ǔK<@ң?@ң?@ң?@<@@?7 Nz۴J@jJ@J@"low" = 0.230769;"medium" = 0.538462;"high" = 0.153846;"very high" = 0.0769231;8JIK}(l(9d3?sY@`??@q]Dv?aOw 7`q??@&?@?( YĀ?ijv``@P?ߜ_7XWH!uFRzzzz?zzzzzz?z@zzzz,"-" = 0.71;"+" = 0.29;8svD[\v@@/@@(@(@(@,p@(@/@@(@(@(@(@(@(@(@(@/@@(@,p@(@(@,p@(@(@(@,p@(@(@(@,p@y t]fŜFHw ?????????v[BB#5^OC(CCN1C(=O)CC2(CCCC2)CC1=O)CN3CCN(CC3)c4ncccn4!1Y%$<g1VJ`"\`hb';Pp+ 0oA}dc +I^4UOF1R"IL!Jj(,/R]  OSA$3b69e597-4255-4773-91c9-5306af2cd8e460O18 0.4330127240C28.5 -0.4330126640C39.5 -0.4330126640C410 0.4330126940N511 0.4330126940C611.5 1.299038050O711 2.165063620C812.5 1.299038050C913 0.4330126940 C10 13.5877857 1.242029670 C11 14.5388422 0.9330127240 C12 14.5388422 -0.06698731330 C13 13.5877857 -0.3760042790 C1412.5 -0.4330126940C1511.5 -0.4330126940O1611 -1.299038050C178 -1.299038050N187 -1.299038050C196.5 -0.4330126640C205.5 -0.4330126640N215 -1.299038050C225.5 -2.165063620C236.5 -2.165063620C244 -1.299038050N253.5 -2.165063620C262.5 -2.165063620C272 -1.299037930C282.5 -0.4330126350N293.5 -0.4330126350H30 8.31000042 0.9699484710H31 8.81000042 0.1039230820H32 9.3923378 -1.043593530 H33 10.0826092 -0.6450651880!H34 10.1076622 1.043593530"H35 9.41739082 0.6450651880#H36 13.0826092 1.511090520$H37 12.3923378 1.909618850%H38 13.839963 1.808427810&H39 13.0508499 1.552029850'H40 15.1554461 0.868205070(H41 14.6677465 1.539464240)H42 14.6677465 -0.6734387870*H43 15.1554461-0.002179672710+H44 13.0508499 -0.68600440,H45 13.839963 -0.9424024220-H46 12.3923378 -1.043593530.H47 13.0826092 -0.6450651880/H48 7.89233828 -1.9096188500H49 8.58260918 -1.5110905201H50 7.08260965 -0.22096015502H51 6.39233828 0.17756813803H52 5.60766172 0.17756815304H53 4.91739035 -0.2209601405H54 4.91739035 -2.3771159606H55 5.60766172 -2.7756445407H56 6.39233828 -2.7756445408H57 7.08260965 -2.3771159609H58 2.19000006 -2.701999430:H591.38 -1.299037930;H60 2.19000006 0.10392312063             !" #!$"%#&$' %( &) '* (+ ), *- +. ,/ -0 .1/2031425364758697:8;9<:=;>0H00000000-0000-0000-0000-000000000000y{KBI,MLN?@?$ ?e ?݀?~cp`?n?{?C ?1?p`?~c?`Y?[`? ? ?:8?_?_?↚ n?Į(@?Į(@?Į(@n?G`?ح$J@=@$:@@$:@? ? @"@!@"@!? ? ? ? ? ? ? @"΁@/ɀ@/ɀ@/ɀ@/ɀ@Vw{)UBPN<[ ?b?%3?V?  ?h ?z?}j?0 ?]@?ʪ?^:@tf ?ң'?r`?ˑo?ʠ?˚@??&N?i ??7`??i ? `CMrzdr`? ?C( b? ? ?j@?f6@?cc>?c/Mj@6_B?V ?E OI`OI`@w=`q =`Ɖ?bT?J.8nqb??P?(?N?H ?Θ?8?@?0?eu;u;?e?@?Θ?8?N? ???)h???f?E????E@L*?=ӼW0HiP????????@ 1BJg3Z-?RR?z?zzzzz?zRRRzzzR."no" = 0.7;"yes" = 0.3;8֬L":??R?? =?녀z?R???R?R??R?녀z??z?z?z??z?z??z?z?R?z?z6"low" = 0.51;"high" = 0.49;8MnH:wx#.?1?1?1?1("-" = 0.2;"+" = 0.8;8発KxBϚ=v?_`?? 2C9 pKi?0*2D6 affinity category?(5HT1a affinity (pKi)? ] BBB category? 0BBB log([brain]:[blood])?٠HIA category?\@P-gp category?33@PPB90 category?/ hERG pIC50?3 logP?logS?i@ aTE­Vٲ"??Vd J mUJ@?x?֒f? ?XE @qc?A ?%Р?G?3?@? ?(l@?e?5Y`??t@?<??@?Yx?X`??=??X`@?'BG~~.Q >3@Z?j(0^@?33@$H܏esmc=S6-10%{gGMem{????????@*5AS@6Dy"`rvs9rvy"`D??^1Y{{ \r? ??@kѠ    L@@i^?7 Nz۴?ɗk?ɗk?ɛ?ɛ?ɗk?ɗk?ɗk?ɗkt"low" = 0.2;"medium" = 0.1;"high" = 0.5;"very high" = 0.2;8JIK}(l(9d3>?!` !`?>?`B@C?d\?Ă? ? '҅@4$@??Ă? f@/X@ϯ`= Z?|G?|G?`_7XWH!uFz?zzzz?z?zRR(("-" = 0.6;"+" = 0.4;8svD[\v@@(@(@(@,p@(@(@(@,p@(@(@,p@(@/@@(@(@(@(@(@(@(@(@/@@(@(@(@(@(@(@,p@/@@/@@zmt]fŜFHw ?????????v[BB#5tCC1CN(CC(C)N1CCN2C(=O)CC3(CCCC3)CC2=O)c4ccccc4[N+](=O)[O-]1pn ]YT`&5cjU8Xi `TbG<6b ȓHqNH5]"uPv )g/ NWh<ßHWoB(a @OSA$97bb63e2-55f5-4bc8-9c6a-1cbe86e73c2e63C17 1.299038050C26.5 0.4330126940C35.5 0.4330126940N45 -0.4330126940C55.5 -1.299038050C66.5 -1.299038050C77 -2.165063620N87 -0.4330126940C98 -0.4330126940 C108.5 0.4330126940 N119.5 0.4330126940 C1210 1.299038050 O139.5 2.165063620 C1411 1.299038050C1511.5 0.4330126940C16 12.0877857 1.242029670C17 13.0388422 0.9330127240C18 13.0388422 -0.06698729840C19 12.0877857 -0.3760042790C2011 -0.4330126940C2110 -0.4330126940O229.5 -1.299038050C234 -0.4330126940C243.5 -1.299038050C252.5 -1.299038050C262 -0.4330126940C272.5 0.4330126940C283.5 0.4330126940N294 1.299038051O305 1.299038050O313.5 2.16506362-1H32 7.53693581 0.989038050 H33 7.30999994 1.835973620!H34 6.46306419 1.609038110"H35 7.11999989 0.4330126940#H36 5.60766172 1.043593530$H37 4.91739035 0.6450651880%H38 4.91739035 -1.511090520&H39 5.60766172 -1.909618850'H40 7.11999989 -1.299038050(H41 6.46306419 -2.475063560)H42 7.30999994 -2.701999430*H43 7.53693581 -1.855063680+H44 7.89233828 -1.043593530,H45 8.58260918 -0.6450651880-H46 8.6076622 1.043593530.H47 7.91739035 0.6450651880/H48 11.5826092 1.5110905200H49 10.8923378 1.9096188501H50 12.339963 1.8084278102H51 11.5508499 1.5520298503H52 13.6554461 0.8682050704H53 13.1677465 1.5394642405H54 13.1677465 -0.67343878706H55 13.6554461-0.0021796531507H56 11.5508499 -0.686004408H57 12.339963 -0.94240242209H58 10.8923378 -1.043593530:H59 11.5826092 -0.6450651880;H60 3.80999994 -1.835973980<H61 2.19000006 -1.835973980=H621.38 -0.4330126940>H63 2.19000006 0.969948471066          !" #!$"%#&$'%(&)'*(+),*-+.,/ -0 .1 /2 031425364758697:8;9<:=;><?=@>A0H00000000-0000-0000-0000-000000000000y{KBI,M?K`?=??8??=?K`@?ǵ?E??4 :``? v?͂??9`?4 :??N?N?N?N?"?خb؂@؂@@=̠?ح$J@=? ? ? ? ? ? ? ? ? @"@!@"@!? @\)@3p@&@&@Vk {)UBPN<?N?͋?Z?Z?͋?Nj?ј@?Ϥ@@8? `?p?E?ǹ ?$?t] @ ?iO@?Γ @?З@?n?Σ?٨W ?Qq? `CMrzdr?\d@$'`$?\d@?Ƅ@?z?C`6Y`i?e@?/:@?P. ?M@?\ 8?rҡ?#> u#Hqٜ?E}?"-aUU?_ ?bT?J.8nqb??^?f_??^??/?Ct?Ct?@??0??@?????0???`?`???U??@?=ӼW0HiP????????@ 1BJg3Z-?z?z?z?z?zzz?z?z?z?z."no" = 0.1;"yes" = 0.9;8֬L":?R??????R?z? =? =?z?z?z??z?(?R?R?z??z?z??R?R?R?R??6"low" = 0.57;"high" = 0.43;8MnH:wx#.?1?1("-" = 0.2;"+" = 0.8;8発KxBϚ=v??r?3 2C9 pKi? *2D6 affinity category?G (5HT1a affinity (pKi)?U4BBB category?p0BBB log([brain]:[blood])?-`HIA category?\@P-gp category?ᙙPPB90 category??|hERG pIC50?logP?ZJlogS?aTE­Vٲ"Vd J m?T?,?G`?ź?G`?,?T?ɫz??z ? Β?@`?M?k ?)^?4)??Fy`U '??xq?Y`?b ?ð?I?뤀uu@i{?f`\7WYNefhAt >3@Z?j(0^@?33@$H܏esmc=S6-15%{gGMem{$???????????@*5AS@6$?y{@eeeeԋ`@??@Hu Y {r]_T=?i?#' d eeeee?iT=??#c ??@@)O?7 Nz۴$?o?o?o?o? `? `?o?xU?xU?o? `? `?o?xU?o? `? `? `? `"low" = 0.0555556;"medium" = 0.222222;"high" = 0.666667;"very high" = 0.0555556;8JIK}(l(9d3$?ZW?,2@[`6+6+~àu?eek`?Eg?ʯ?xMf`~@? W!$?#?@?@}`蔠ו`8nו`?@?#W~@? ?Eg?eek`@߹ ?ߜ_7XWH!uF$zzzzzzzz?z?zzz?zzzzzzzzz?z,"-" = 0.54;"+" = 0.46;8svD[\v@$@(@/@@(@(@(@(@(@(@,p@(@(@,p@(@(@,p@(@/@@(@(@(@(@,p@(@(@(@(@(@(@(@(@(@(@(@/@@(@(@~;t]fŜFHw $????????????ff`v[BB#5pCOc1ccccc1N2CCN(CCN3C(=O)CC4(CCN(Cc5ccccc5)CC4)CC3=O)CC2#?sf S_;__^ +KqkXx`ce8  (y{4 5H63 14.7232571 3.503526690?H64 13.9034567 2.106269840@H65 12.8933582 -1.095395090AH66 13.5864029 -0.7017084960BH67 11.421236 -0.6865519290CH68 12.1087008 -1.08990240DH69 10.8934069 -1.081395150EH70 11.5864515 -0.6877084370FH71 6.38745499 -1.915899160GH72 7.08049917 -1.522212390HH73 4.91533327 -1.507055760IH74 5.60279799 -1.91040635078          ! " # !$ "%"#&#'$(%)&*'+(,)-*. +/ ,0 -1 .2 /3 04 15 263748596:7;8<9=:>;?<@=A>B?C@DAEBFCGDHEI"FJ"GK#HL#IM0H00000000-0000-0000-0000-000000000000y{KBI,M$?E@???-g?-g?-g?-g? o?,?ˬ@?ˬ@??g? ? ?@}:@? ?q ?s`?9?-g?-g?-g?-g?-g?q? }?@?ˬ@?ˬ@@2 ?ح$J@=$@`@`@`? ? ? ? ? ? ? ? @"@!? ? ? ? @"@!? ? @L*=`{)UBPN<$?@?f?ڙ?Z?V`?υ?]ڀ?93=@?2f`?[T`??p8'2@u?pC?@?w?r {@??Y`??R@?G`?R@??r ?w%`??2f`?#`CMrzdr$"?D\`Ҁxxo{GE;`sy.`?"?/ `1N5uw6?쟀?p(~ g?k#`Ƶ@pt@l pt@Ƶ@~ ?5@gF͇?9 T?J.8nqb$?XJ??0??`?`??0r??@?p??0??`?`?`?@@ ?=ӼW0HiP$???????@1BJg3Z-$?z?z?z?z?z?z?z?z?z?z?z?z?zz?zz?z?z?z?z?z?z?z?z?z?zzz?z?z?z."no" = 0.2;"yes" = 0.8;8֬L":$?z?T?(?ə? =? =?ə?(?zz?z?z?z?z?zzP?z?H?Q? =? =? =?Qz?z?z2"low" = 0.4;"high" = 0.6;8MnH:wx#.$?ݝ?ݝ?ݝ>"-" = 0.0371353;"+" = 0.962865;8発KxBϚ=v?vi?u\`?ƚ@ 2C9 pKi?2`*2D6 affinity category?@(5HT1a affinity (pKi)? BBB category?~0BBB log([brain]:[blood])?%HIA category?lP-gp category?33@PPB90 category?(hERG pIC50?J@logP?ȟlogS?G@aTE­Vٲ"$Vd J m$? ?]?9|?æ[?p ?` ??? ?g@?A?.b?ֹ?I?V@~C?O ?z ??q?Q@? ?ҀS@?ž ?? ??ž ?q?n?a?A?g@@ 9`?GBv|NCf !uMulti-Scaffold*Multi-ScaffoldID}ęBFq-Structure<Rule> <Rule> <Column></Column> <UserCreated>0</UserCreated> <RemoveSalts>1</RemoveSalts> <UseFileDiagramCoords>True</UseFileDiagramCoords> <CombineConformers>False</CombineConformers> </Rule> </Rule> ̓ hC۫I6:tName5<Rule> <Rule> <Column></Column> <UserCreated>0</UserCreated> <ValueType>0</ValueType> <Value></Value> <IncrementStart>1</IncrementStart> <IncrementChange>1</IncrementChange> <Temporary>0</Temporary> </Rule> </Rule> pDxԘȂ(5HT1a affinity (pKi)<RulesList> <Rule> <Column>5HT1a affinity (pKi)</Column> <UserCreated>1</UserCreated> <ValueType>0</ValueType> <Value></Value> <IncrementStart>1</IncrementStart> <IncrementChange>1</IncrementChange> <Temporary>0</Temporary> <Units>5</Units> <SDType>0</SDType> <SD>0.3</SD> <SDColumn></SDColumn> <RemoveColumn>0</RemoveColumn> <KeepOriginals>0</KeepOriginals> <UseValue>1</UseValue> <Precision>-1</Precision> <FloatingPointDisplay>Default</FloatingPointDisplay> </Rule> </RulesList>  <Rule> <Column>logS</Column> <UserCreated>0</UserCreated> <ValueType>0</ValueType> <Value></Value> <IncrementStart>1</IncrementStart> <IncrementChange>1</IncrementChange> <Temporary>0</Temporary> <Units>2</Units> <SDType>0</SDType> <SD>0</SD> <SDColumn></SDColumn> <RemoveColumn>0</RemoveColumn> <KeepOriginals>1</KeepOriginals> <UseValue>1</UseValue> <Precision>-1</Precision> <FloatingPointDisplay>Default</FloatingPointDisplay> </Rule> </RulesList> |\.B鰵KUHlogS @ pH7.4h__BIOFOCUS__logS7$4_d2030aacf943a9d0cdd809d8a80b0175&__BIOFOCUS__logS7$4(Solubility at pH 7.4Continuous model predicting apparent solubility at pH 7.4 for charged compounds (log uM)h__BIOFOCUS__logS7$4_d2030aacf943a9d0cdd809d8a80b0175-@!<RulesList> <Rule> <Column>logS @ pH7.4</Column> <UserCreated>0</UserCreated> <ValueType>0</ValueType> <Value></Value> <IncrementStart>1</IncrementStart> <IncrementChange>1</IncrementChange> <Temporary>0</Temporary> <Units>2</Units> <SDType>0</SDType> <SD>0</SD> <SDColumn></SDColumn> <RemoveColumn>0</RemoveColumn> <KeepOriginals>1</KeepOriginals> <UseValue>1</UseValue> <Precision>-1</Precision> <FloatingPointDisplay>Default</FloatingPointDisplay> </Rule> </RulesList>  cCH@3(logPb__BIOFOCUS__logP_7f386de520a9b5ed36f3f316692b6bb1 __BIOFOCUS__logP(logP(octanol/water) tContinuous model predicting logP based upon in vitro data b__BIOFOCUS__logP_7f386de520a9b5ed36f3f316692b6bb11\ @<RulesList> <Rule> <Column>logP</Column> <UserCreated>0</UserCreated> <ValueType>0</ValueType> <Value></Value> <IncrementStart>1</IncrementStart> <IncrementChange>1</IncrementChange> <Temporary>0</Temporary> <Units>7</Units> <SDType>0</SDType> <SD>0</SD> <SDColumn></SDColumn> <RemoveColumn>0</RemoveColumn> <KeepOriginals>1</KeepOriginals> <UseValue>1</UseValue> <Precision>-1</Precision> <FloatingPointDisplay>Default</FloatingPointDisplay> </Rule> </RulesList> $ziD!qtlogDh__BIOFOCUS__logD7$4_5a43f66b6964b1caea109e8162db5565&__BIOFOCUS__logD7$4logD at pH 7.4Continuous model predicting logD at pH 7.4 based on in vitro datah__BIOFOCUS__logD7$4_5a43f66b6964b1caea109e8162db5565Bff`@<RulesList> <Rule> <Column>logD</Column> <UserCreated>0</UserCreated> <ValueType>0</ValueType> <Value></Value> <IncrementStart>1</IncrementStart> <IncrementChange>1</IncrementChange> <Temporary>0</Temporary> <Units>7</Units> <SDType>0</SDType> <SD>0</SD> <SDColumn></SDColumn> <RemoveColumn>0</RemoveColumn> <KeepOriginals>1</KeepOriginals> <UseValue>1</UseValue> <Precision>-1</Precision> <FloatingPointDisplay>Default</FloatingPointDisplay> </Rule> </RulesList> ,VBtu^Q2C9 pKi,__BIOFOCUS__2C9_pKi_RF&__BIOFOCUS__2C9_pKi4Cytochrome P450 CYP2C9 pKiContinuous model predicting 2C9 affinity (pKi) based upon in vitro data,__BIOFOCUS__2C9_pKi_RF,@@@4A@<RulesList> <Rule> <Column>2C9 pKi</Column> <UserCreated>0</UserCreated> <ValueType>0</ValueType> <Value></Value> <IncrementStart>1</IncrementStart> <IncrementChange>1</IncrementChange> <Temporary>0</Temporary> <Units>1</Units> <SDType>0</SDType> <SD>0</SD> <SDColumn></SDColumn> <RemoveColumn>0</RemoveColumn> <KeepOriginals>1</KeepOriginals> <UseValue>1</UseValue> <Precision>-1</Precision> <FloatingPointDisplay>Default</FloatingPointDisplay> </Rule> </RulesList> ANifôhERG pIC50n__BIOFOCUS__hERG_pIC50_8141cd003b19c56eae1efbf895eb98f7,__BIOFOCUS__hERG_pIC50hERG pIC50zHuman Ether-a-Go-Go related gene potassium channel inhibitionn__BIOFOCUS__hERG_pIC50_8141cd003b19c56eae1efbf895eb98f7@@"<RulesList> <Rule> <Column>hERG pIC50</Column> <UserCreated>0</UserCreated> <ValueType>0</ValueType> <Value></Value> <IncrementStart>1</IncrementStart> <IncrementChange>1</IncrementChange> <Temporary>0</Temporary> <Units>5</Units> <SDType>0</SDType> <SD>0</SD> <SDColumn></SDColumn> <RemoveColumn>0</RemoveColumn> <KeepOriginals>1</KeepOriginals> <UseValue>1</UseValue> <Precision>-1</Precision> <FloatingPointDisplay>Default</FloatingPointDisplay> </Rule> </RulesList> #*W@ר 80BBB log([brain]:[blood])2__BIOFOCUS__BBB_cont_2012(__BIOFOCUS__BBB_cont>Blood-brain barrier penetrationContinuous model predicting log([brain]:[blood]) based on in vivo data.2__BIOFOCUS__BBB_cont_201233@? = <RulesList> <Rule> <Column>BBB log([brain]:[blood])</Column> <UserCreated>0</UserCreated> <ValueType>0</ValueType> <Value></Value> <IncrementStart>1</IncrementStart> <IncrementChange>1</IncrementChange> <Temporary>0</Temporary> <Units>7</Units> <SDType>0</SDType> <SD>0</SD> <SDColumn></SDColumn> <RemoveColumn>0</RemoveColumn> <KeepOriginals>1</KeepOriginals> <UseValue>1</UseValue> <Precision>-1</Precision> <FloatingPointDisplay>Default</FloatingPointDisplay> </Rule> </RulesList> /:g9&8Oǃ:QrBBB category4__BIOFOCUS_BBB_category_RF0__BIOFOCUS__BBB_category>Blood-brain barrier penetration<Two class category model based upon classified log([brain]:[blood]) in vivo data: class ' + ' indicates a ratio >= -0.5 class ' - ' indicates a ratio < -0.54__BIOFOCUS_BBB_category_RF~R<RulesList> <Rule> <Column>BBB category</Column> <UserCreated>0</UserCreated> <UseDefault>1</UseDefault> <Categories> <Category Name="-" Index="0"/> <Category Name="+" Index="1"/> </Categories> </Rule> </RulesList> quLx7ː :HIA categoryr__BIOFOCUS__HIA_category_54a507608dba628340d32f1dfa4a150a0__BIOFOCUS__HIA_category8Human intestinal absorption Two class category model based upon human in vivo data: class ' + ' indicates absorption >= 30% class ' - ' indicates absorption < 30% r__BIOFOCUS__HIA_category_54a507608dba628340d32f1dfa4a150a!<RulesList> <Rule> <Column>HIA category</Column> <UserCreated>0</UserCreated> <UseDefault>1</UseDefault> <Categories> <Category Name="-" Index="0"/> <Category Name="+" Index="1"/> </Categories> </Rule> </RulesList> f&lE ([ P-gp category8__BIOFOCUS__P$gp_category_RF2__BIOFOCUS__P-gp_category0P-glycoprotein substrateTwo class category model based upon in vitro data: class 'yes' indicates a substrate class 'no' indicates a non-substrate8__BIOFOCUS__P$gp_category_RFe<RulesList> <Rule> <Column>P-gp category</Column> <UserCreated>0</UserCreated> <UseDefault>1</UseDefault> <Categories> <Category Name="no" Index="0"/> <Category Name="yes" Index="1"/> </Categories> </Rule> </RulesList> g`%L̀2|9*2D6 affinity category__BIOFOCUS__2D6_affinity_category_3a5194f7bd1fe7cfddb3513664be5064B__BIOFOCUS__2D6_affinity_category@Cytochrome P450 CYP2D6 affinity Four class category model based upon in vitro data: class 'low' indicates a pKi < 5 class 'medium' indicates a pKi in the range 5 - 6 class 'high' indicates a pKi in the range 6 - 7 class 'very high' indicates a pKi > 7 __BIOFOCUS__2D6_affinity_category_3a5194f7bd1fe7cfddb3513664be5064<RulesList> <Rule> <Column>2D6 affinity category</Column> <UserCreated>0</UserCreated> <UseDefault>1</UseDefault> <Categories> <Category Name="low" Index="0"/> <Category Name="medium" Index="1"/> <Category Name="high" Index="2"/> <Category Name="very high" Index="3"/> </Categories> </Rule> </RulesList> ys-`G"Pə PPB90 categoryx__BIOFOCUS__PPB_90Thresh_RF_de67fc13b77ccb91aba1844be90d89ff6__BIOFOCUS__PPB_90Thresh_RFNPlasma protein binding (90% threshold) tTwo class category model based upon in vitro data: class 'low' indicates < 90% of compound bound to plasma protein class 'high' indicates >= 90% of compound bound to plasma protein x__BIOFOCUS__PPB_90Thresh_RF_de67fc13b77ccb91aba1844be90d89ffJ<RulesList> <Rule> <Column>PPB90 category</Column> <UserCreated>0</UserCreated> <UseDefault>1</UseDefault> <Categories> <Category Name="low" Index="0"/> <Category Name="high" Index="1"/> </Categories> </Rule> </RulesList> >=mI P]]MW^__BIOFOCUS__MW_74e6485ded93311b57808ad30b2468b3__BIOFOCUS__MW Molecular Weight.Relative molecular mass^__BIOFOCUS__MW_74e6485ded93311b57808ad30b2468b3m @<RulesList> <Rule> <Column>MW</Column> <UserCreated>0</UserCreated> <ValueType>0</ValueType> <Value></Value> <IncrementStart>1</IncrementStart> <IncrementChange>1</IncrementChange> <Temporary>0</Temporary> <Units>0</Units> <SDType>0</SDType> <SD>0</SD> <SDColumn></SDColumn> <RemoveColumn>0</RemoveColumn> <KeepOriginals>1</KeepOriginals> <UseValue>1</UseValue> <Precision>-1</Precision> <FloatingPointDisplay>Default</FloatingPointDisplay> </Rule> </RulesList> 2 N{?xHBD`__BIOFOCUS__HBD_75d53ae5cf8645d4a8e47d2bf47e8f0c__BIOFOCUS__HBD2Hydrogen bond donor countDCount of NH, NH2, nH and OH groups`__BIOFOCUS__HBD_75d53ae5cf8645d4a8e47d2bf47e8f0c]]@$<RulesList> <Rule> <Column>HBD</Column> <UserCreated>0</UserCreated> <ValueType>0</ValueType> <Value></Value> <IncrementStart>1</IncrementStart> <IncrementChange>1</IncrementChange> <Temporary>0</Temporary> <Units>0</Units> <SDType>0</SDType> <SD>0</SD> <SDColumn></SDColumn> <RemoveColumn>0</RemoveColumn> <KeepOriginals>1</KeepOriginals> <UseValue>1</UseValue> <Precision>-1</Precision> <FloatingPointDisplay>Default</FloatingPointDisplay> </Rule> </RulesList> ۻ;C|NOHBA`__BIOFOCUS__hba_03322d99413954aca66077b9261c6847__BIOFOCUS__hba8Hydrogen bond acceptor count Count of O and N`__BIOFOCUS__hba_03322d99413954aca66077b9261c6847{ @0<RulesList> <Rule> <Column>HBA</Column> <UserCreated>0</UserCreated> <ValueType>0</ValueType> <Value></Value> <IncrementStart>1</IncrementStart> <IncrementChange>1</IncrementChange> <Temporary>0</Temporary> <Units>0</Units> <SDType>0</SDType> <SD>0</SD> <SDColumn></SDColumn> <RemoveColumn>0</RemoveColumn> <KeepOriginals>1</KeepOriginals> <UseValue>1</UseValue> <Precision>-1</Precision> <FloatingPointDisplay>Default</FloatingPointDisplay> </Rule> </RulesList> 9>CϬs}2F`TPSAd__BIOFOCUS__PSANO_961b77a2a38cfc247df40dd8558a90cc"__BIOFOCUS__PSANO<Topological Polar Surface AreabTopological Polar Surface Area based upon N and Od__BIOFOCUS__PSANO_961b77a2a38cfc247df40dd8558a90cc'@o@<RulesList> <Rule> <Column>TPSA</Column> <UserCreated>0</UserCreated> <ValueType>0</ValueType> <Value></Value> <IncrementStart>1</IncrementStart> <IncrementChange>1</IncrementChange> <Temporary>0</Temporary> <Units>0</Units> <SDType>0</SDType> <SD>0</SD> <SDColumn></SDColumn> <RemoveColumn>0</RemoveColumn> <KeepOriginals>1</KeepOriginals> <UseValue>1</UseValue> <Precision>-1</Precision> <FloatingPointDisplay>Default</FloatingPointDisplay> </Rule> </RulesList> jE"h Flexibilityb__BIOFOCUS__FLEX_40efead18392c900847b50bfaa3160cb __BIOFOCUS__FLEX"Flexibility indexLProportion of bonds that are rotatableb__BIOFOCUS__FLEX_40efead18392c900847b50bfaa3160cbSI@4<RulesList> <Rule> <Column>Flexibility</Column> <UserCreated>0</UserCreated> <ValueType>0</ValueType> <Value></Value> <IncrementStart>1</IncrementStart> <IncrementChange>1</IncrementChange> <Temporary>0</Temporary> <Units>0</Units> <SDType>0</SDType> <SD>0</SD> <SDColumn></SDColumn> <RemoveColumn>0</RemoveColumn> <KeepOriginals>1</KeepOriginals> <UseValue>1</UseValue> <Precision>-1</Precision> <FloatingPointDisplay>Default</FloatingPointDisplay> </Rule> </RulesList> r9@2Rotatable Bondsj__BIOFOCUS__ROTBONDS_c290a49b5bb4e576a4ab69d9349996ff(__BIOFOCUS__ROTBONDS2Number of rotatable bondsDNumber of bonds that are rotatablej__BIOFOCUS__ROTBONDS_c290a49b5bb4e576a4ab69d9349996ffQe@4<RulesList> <Rule> <Column>Rotatable Bonds</Column> <UserCreated>0</UserCreated> <ValueType>0</ValueType> <Value></Value> <IncrementStart>1</IncrementStart> <IncrementChange>1</IncrementChange> <Temporary>0</Temporary> <Units>0</Units> <SDType>0</SDType> <SD>0</SD> <SDColumn></SDColumn> <RemoveColumn>0</RemoveColumn> <KeepOriginals>1</KeepOriginals> <UseValue>1</UseValue> <Precision>-1</Precision> <FloatingPointDisplay>Default</FloatingPointDisplay> </Rule> </RulesList> .3B AvANifô??`%`?#?.܀?\?`?&?~t?Ri@?,`?ı? 2@?ç? ?b??L?_B @?Ԣ|\.B鰵KUH~@?nk`? ??z`a`K7Pp@NIo&I ?¶{`? '?o@?ߜ}ęBFq-4CCCN1CCC2C1CCc3cccc(OC)c23⾕Ov޴ߙKVңZq-@rn#]Xkt.kZʂ;Ǭl8ޖb!,HN|ǭhƁD{">ݏ%sk-[Zյ<חF!'8i +OSA$c9afac4e-2eca-4be2-8c70-110da43a188e41C12 -3.221692090C2 2.31066227 -2.271171810C3 3.28916812 -2.064953090N4 3.59983063 -1.114432810C5 3.01622152 -0.3097004590C6 3.59983063 0.4950318340C7 4.54605055 0.1902995410C8 4.54605055 -0.8097004890C9 5.41207552 -1.309700490 C10 6.27810097 -0.8097004890 C11 6.27810097 0.1902995410 C12 7.18810225 0.6971452830 C13 7.19613218 1.738745210 C14 6.29405355 2.259560590C15 5.3960166 1.731806520O16 4.5242672 2.221759080C17 4.5127039 3.221692090C18 5.41207552 0.6902995110H19 1.41067743 -3.029081340H20 1.80738938 -3.811014650H21 2.58932257 -3.414302830H22 2.29009676 -1.651512980H23 1.69684625 -2.183822150H24 3.30973339 -2.684612040H25 3.90298414 -2.152302740H26 2.55535221 0.1050276230H27 2.55535221 -0.7244285350H28 3.85086322 1.061938050H29 3.0624485 0.8042572140H30 4.48044252 0.8068184850H31 4.48044252 -1.426219460H32 5.01354694 -1.784647940 H33 5.81060362 -1.784648060!H34 6.49015331 -1.39230990"H35 6.88868189 -0.7020386460#H36 7.72141743 0.3809572460$H37 7.73425865 2.04667330%H38 6.29166365 2.879555940&H39 5.1326623 3.228861090'H40 4.50553465 3.841650720(H41 3.89274526 3.21452284043             ! " !# "$ #% $& %'&(')(*0H00000000-0000-0000-0000-000000000000$ziD!qt?ҷ`?f@?`Cz???@??'??5?Պ`??2@?#(?G ?B@@G?/:g9&8Oǃ:Qrzzzz?zzz,"-" = 0.07;"+" = 0.93;8>=mI P]]@(@(@(@,p@(@(@(@(@(@(@(@(@(@(@(@/@@(@(@n`f&lE ([ ?zzR?R?z?z?Q?zz?z?zz?z2"no" = 0.58;"yes" = 0.42;8quLx7ː :?ݝ>"-" = 0.0371353;"+" = 0.962865;8ys-`G"Pə ?R?z?R(z?z?z?zz?z?z?z6"low" = 0.76;"high" = 0.24;8#*W@ר 8?~?V?ʝ ?G?$@??u*?4A ?Q`?L?W ?-T?;`?9h?N^`wB??'a@?b jE"h ??????33@bX?@?vCGMo.c? ?`-] @@?)` cCH@3(?d?齆`?k?Ϡ?M?ɪs?$ ?0Y&a ?f@?͆L?͆L?͆L?'@?9??_@ ?حg`%L̀2|9?/"low" = 0.0416667;"medium" = 0.541667;"high" = 0.166667;"very high" = 0.25;8ۻ;C|NO??@9>CϬs}2F`? ? ? ? @`@`@`@(pDxԘȂ@ Q?33@,VBtu^Q?@?F?50rgn9?@A ??@)?@?@?@?@?@?Hn9?@@8?=̓ hC۫I6:tS1-62 N{?xr9@2?????@nb|-\G걜ANifô& ??F3?ð???I??li??`?@?u?ώ ?8?8??_@?U݀|\.B鰵KUH?57`~ Q;鿠#//@`H ?s_?^?Īl<tk% tk% }:? ?ߜ}ęBFq-8Oc1cccc2CC3C(CCN3CC4CC4)Cc12⾕MvδׁAFҡ[s=@phVx+uY&j\J=Ůl(Wv!(A ^|497"uҝ%cf/ŵ<)FY(!ѥ%8iOSA$9dce6c8c-dddf-4f0e-a2f7-8d252b3c6fd839O1 7.98510361 0.0889914110C2 7.16996622 0.6682595010C3 7.26397753 1.705639120C4 6.40798521 2.29916430C5 5.46943665 1.847366930C6 5.39943981 0.8080906270C7 4.49508476 0.3813092710C8 4.41251087 -0.6152757410C9 5.23429155 -1.185079340 C10 4.94555521 -2.136302230 C11 3.95169902 -2.157361750 N12 3.62292814 -1.219223620 C13 2.66479206 -0.9329100250 C14 1.93776953 -1.619523050C15 1.65145576 -2.577659130C16 0.964842558 -1.850636360C17 6.1386466 -0.758297920C18 6.22122049 0.2382870470H19 8.54882526 0.3470946550H20 7.82569361 1.96808040H21 6.45679903 2.917239670H22 4.95588112 2.194730040H23 3.87769914 0.3244333270H24 4.33186483 0.9794389010H25 3.86848354 -0.3178964260H26 5.70355129 -1.590289470H27 5.5544672 -2.25303340H28 4.89346838 -2.754110340H29 4.02990961 -2.772408960H30 3.34827852 -2.29978180H31 2.16728663 -0.5629259350H32 2.94276428 -0.3787157830 H33 1.64323831 -1.073948740!H34 2.20565033 -2.855631350"H35 1.28147197 -3.075164320#H36 0.447014064 -2.191596980$H37 0.7189821 -1.281467910%H38 6.75603199 -0.7014219760&H39 6.30186653 -1.35642755042                ! " #!$"%#&$'%(&)0H00000000-0000-0000-0000-000000000000$ziD!qt$+?Ì`?Ѭr?`?`?y?p?r@?Z`?XB??t)@?G)?u?t?t?~?ԩT??@/:g9&8Oǃ:Qr?z?zz,"-" = 0.06;"+" = 0.94;8>=mI P]]@/@@(@(@(@(@(@(@(@(@(@(@,p@(@(@(@(@(@(@nk `f&lE ([ ?z?z?z?z?z???Rz?z?z?z?z?z2"no" = 0.51;"yes" = 0.49;8quLx7ː :?ݝ>"-" = 0.0371353;"+" = 0.962865;8ys-`G"Pə  =@?z?z?z?z?zzzRz ?z?Rz?z6"low" = 0.83;"high" = 0.17;8#*W@ר 8"?z?Q@`??5e@?7@? ?^`?uS? ?~?B@?F?d?d? `? ?;?b jE"h ????a CϬs}2F`@$:@@$:@? ? ? ? @7xQpDxԘȂ@?33@,VBtu^Qy?Ѩ@?=̓ hC۫I6:tS1-202 N{?x??r9@2???@r'Aj5}ANifô?&?њ?S?͹@?ʆ?@?m`?SY?m?`?ŋ?ր?Ü ?Ë?› ?J@@)?j|\.B鰵KUHURuc`?y ?0`?s`? @6``b b ??ߜ}ęBFq-.C=CCN1CCC2C1CCc3ccccc23QvޔבKD#q-Rd#]#St*@J1bޜa@^\(Ɓi">prݏ5Pa;!Zŵ!a%/8aOSA$b500db09-1e18-42d8-8841-97703348018235C12 -3.221692090C2 2.31066227 -2.271171810C3 3.28916812 -2.064953090N4 3.59983063 -1.114432810C5 3.01622152 -0.3097004590C6 3.59983063 0.4950318630C7 4.54605055 0.1902995260C8 4.54605055 -0.8097004890C9 5.41207552 -1.309700490 C10 6.27810097 -0.8097004890 C11 6.27810097 0.1902995260 C12 7.18810225 0.6971452830 C13 7.19613218 1.738745210 C14 6.29405355 2.259560590C15 5.3960166 1.731806520C16 5.41207552 0.6902995710H17 1.39332628 -3.349547620H18 2.41406298 -3.683159110H19 1.89659917 -1.809704780H20 3.30973339 -2.684612040H21 3.90298414 -2.152302980H22 2.55535221 0.1050275710H23 2.55535221 -0.7244285350H24 3.85086322 1.061938050H25 3.0624485 0.8042572140H26 4.48044252 0.8068184260H27 4.48044252 -1.426219340H28 5.01354694 -1.784647940H29 5.81060362 -1.784648060H30 6.49015331 -1.39230990H31 6.88868189 -0.7020385860H32 7.72141743 0.3809572760 H33 7.73425865 2.04667330!H34 6.29166365 2.879555940"H35 4.85553217 2.03557706037               ! " !#"$0H00000000-0000-0000-0000-000000000000$ziD!qt?`?|b ?l`?<? ???ݲ?M??g?Ք#?R?l>?լ?Յd?@?/:g9&8Oǃ:Qrzzzzzzzz,"-" = 0.05;"+" = 0.95;8>=mI P]]@(@(@(@,p@(@(@(@(@(@(@(@(@(@(@(@(@j7f&lE ([ RRzz?z?z??zz?z?z?z?z?z?z2"no" = 0.71;"yes" = 0.29;8quLx7ː :?ݝ>"-" = 0.0371353;"+" = 0.962865;8ys-`G"Pə ??z@?R?z?R?z??R?R?????z6"low" = 0.68;"high" = 0.32;8#*W@ר 8L?{@A? ?'`?!|?Ma?s`)j ?#@?ڝ`??c?c?I?3?e?b jE"h ????q @!I`?)` cCH@3(? ??̽"?-@? ?/?ʵ?M ?ѽ1?uD?uD?uD?uD?5@ p?حg`%L̀2|9?/"low" = 0.0416667;"medium" = 0.541667;"high" = 0.166667;"very high" = 0.25;8ۻ;C|NO??9>CϬs}2F`? ? ? ? @ pDxԘȂ@ =?33@,VBtu^Q??O?m?v?%D?<?4?Q$?<?;?4?4?4?4?4?4@@?=̓ hC۫I6:tS1-32 N{?xr9@2???@$>{1N%x1,xANifô?7?m`?D ???.?@? ?@?L?`?}#?_%`?‹@?iE?P@j?қ?%?%?z.@? z |\.B鰵KUHAW\<?.?wxbw`R`Ĝk#J q@?@((=?/?ߜ}ęBFq-DCCCN1CCC2C1CCc3cccc(C(=O)C(C)C)c23Ӈߑkĥ#q-`Zd_Y#stnlYJ9E`ޞj1(CN]-΅kכ&>pR%ak%ZZŷQSӵ'速8 OSA$e3fb90c1-ed2d-47ac-b5a3-71c201562b4b48C12 -3.221692090C2 2.31066227 -2.271171810C3 3.28916812 -2.064953090N4 3.59983063 -1.114432810C5 3.01622152 -0.3097004890C6 3.59983063 0.4950318340C7 4.54605055 0.1902995260C8 4.54605055 -0.8097004890C9 5.41207552 -1.309700490 C10 6.27810097 -0.8097004890 C11 6.27810097 0.1902995260 C12 7.18810225 0.6971452830 C13 7.19613218 1.738745210 C14 6.29405355 2.259560590C15 5.3960166 1.731806640C16 4.5242672 2.221759080O17 3.66408134 1.71177840C18 4.5127039 3.221692090C195.37289 3.731672760C20 3.64095473 3.711644650C21 5.41207552 0.6902995110H22 1.41067743 -3.029081340H23 1.80738938 -3.811014890H24 2.58932257 -3.414302830H25 2.29009676 -1.651512980H26 1.69684625 -2.183822150H27 3.30973339 -2.684612040H28 3.90298414 -2.152302740H29 2.55535221 0.1050275790H30 2.55535221 -0.7244285350H31 3.85086322 1.061937930H32 3.0624485 0.8042572140 H33 4.48044252 0.8068184850!H34 4.48044252 -1.426219460"H35 5.01354694 -1.784647940#H36 5.81060362 -1.784648180$H37 6.49015331 -1.39230990%H38 6.88868189 -0.7020386460&H39 7.72141743 0.3809572160'H40 7.73425865 2.04667330(H41 6.29166365 2.879555940)H42 3.97938871 2.905503990*H43 5.68907785 3.198357580+H44 5.90620518 4.047860620,H45 5.05670214 4.264987950-H46 3.94472528 4.252129080.H47 3.1004703 4.015415190/H48 3.33718419 3.17116022050             ! "!#"$#% $& %' &( ') (*)+*,+-,.-/.0/10H00000000-0000-0000-0000-000000000000$ziD!qt?ä?ܚ?枅 *??\Z? ?h?@??X?A#?ӓ ?*[`?*?p`W?s?9`?9`?у`@?/:g9&8Oǃ:QrPPzzzzzPzPz,"-" = 0.15;"+" = 0.85;8>=mI P]]@(@(@(@,p@(@(@(@(@(@(@(@(@(@(@(@(@/@@(@(@(@(@q@f&lE ([ ?Rzzz?z?R?z?z?z?z?zz?R?z?z?z2"no" = 0.68;"yes" = 0.32;8quLx7ː :?ݝ?ݝ>"-" = 0.0371353;"+" = 0.962865;8ys-`G"Pə ?? =?(@?zzzz?zz?z?z?z?R?넀?z?z?zz6"low" = 0.54;"high" = 0.46;8#*W@ר 8?z?5?t#m@y,?i`|fJ?Ba?e`6i?} ?a`?u`?@,?/?:?:??b jE"h ???????B`CϬs}2F`? ? ? ? @!@!@4O\ pDxԘȂ@! @?33@,VBtu^Q?@? ?&??͐?T? ??T?? ? ? ? ??&?C?|???Ð@/?=̓ hC۫I6:tS1-342 N{?xr9@2??????@֫)m>CΓ g7AANifô??ϱ??y:?u??J`?`?X@?39?ħ1??Þ?,?p:?į*@;T?|\.B鰵KUH`D_S`?{#?l?(OV2| ȥjb%'_$?IM@#?s?ߜ}ęBFq-2CCCN1CCC2C1CCc3cccc(O)c23⾕Ov޴יKVңZq-@rl#]X+St.hXʂ9Ŭh8ޔb!(@N|hƁ{">ݏ%qk-[Zŵ<חBh!ѥ'8iOSA$a67b8bde-7eeb-4fb9-a255-f5d15b3509d238C12 -3.221692090C2 2.31066227 -2.271171810C3 3.28916812 -2.064953090N4 3.59983063 -1.114432690C5 3.01622152 -0.3097004290C6 3.59983063 0.4950318630C7 4.54605055 0.1902995560C8 4.54605055 -0.8097004890C9 5.41207552 -1.309700490 C10 6.27810097 -0.8097004890 C11 6.27810097 0.1902995410 C12 7.18810225 0.6971452830 C13 7.19613218 1.738745210 C14 6.29405355 2.259560590C15 5.3960166 1.731806520O16 4.5242672 2.221759080C17 5.41207552 0.6902995110H18 1.41067743 -3.029081340H19 1.80738938 -3.811014650H20 2.58932257 -3.414302830H21 2.29009676 -1.65151310H22 1.69684625 -2.183822150H23 3.30973363 -2.68461180H24 3.90298414 -2.152302740H25 2.55535221 0.1050276530H26 2.55535221 -0.7244284750H27 3.85086322 1.061938050H28 3.0624485 0.8042572140H29 4.48044252 0.8068184850H30 4.48044252 -1.426219460H31 5.01354694 -1.784647940H32 5.81060362 -1.784648060 H33 6.49015331 -1.39230990!H34 6.88868189 -0.7020386460"H35 7.72141743 0.3809572160#H36 7.73425865 2.046673060$H37 6.29166365 2.879555940%H38 4.51709795 2.84171772040             ! " !# "$ #% $&%'0H00000000-0000-0000-0000-000000000000$ziD!qt?ҽ֠?ߍ ?; ?56`?m?m?7?Y?\T?s?y? `??Ѣ?JR?5@??/:g9&8Oǃ:Qr?z,"-" = 0.03;"+" = 0.97;8>=mI P]]@(@(@(@,p@(@(@(@(@(@(@(@(@(@(@(@/@@(@lf&lE ([ zzz?z?R?zzz?z?."no" = 0.6;"yes" = 0.4;8quLx7ː :?ݝ>"-" = 0.0371353;"+" = 0.962865;8ys-`G"Pə ?R?z?RQ?R?z?z?z?z?R?z?z?zz6"low" = 0.83;"high" = 0.17;8#*W@ר 8?[`?m??%|@?Z ?h?n?`?F?S ] ?`?w? ?``?`?c?b jE"h ????CϬs}2F`? ? ? ? @$:@@$:@@7xQpDxԘȂ@!3@?33@,VBtu^Qp?C ?`0pp@p@pppppPp@W?=̓ hC۫I6:tS1-82 N{?x??r9@2???@.LWK}wQANifô??@?н ?,U@?ʨ?:?S@?T<?Tp?`? ?) ?C@?B|`?t ?_`?: `@fp?׃֠|\.B鰵KUH`?e ?x?Z`[?|h`@@``j??l}ęBFq-2CCN1CCC2C1CCc3cccc(Br)c23AtޔߑkD#q-Se#_#S hPK1`ޔc!WO\(Ɓy:>pZUa+!Zǵ\jQȱa%'8eOSA$e5caeefc-f4ab-4b01-aba5-74977a08dac634C1 2.31066227 -2.271171810C2 3.28916812 -2.064953090N3 3.59983039 -1.114432810C4 3.01622152 -0.3097004590C5 3.59983039 0.4950318340C6 4.54605007 0.1902995260C7 4.54605007 -0.8097004290C8 5.41207552 -1.309700490C9 6.27810097 -0.8097004290 C10 6.27810097 0.1902995260 C11 7.18810225 0.6971452830 C12 7.19613218 1.738745210 C13 6.29405355 2.259560590 C14 5.3960166 1.731806640#Br15 4.5242672 2.221758840C16 5.41207552 0.6902995710H17 2.18280673 -1.664498210H18 1.70398879 -2.399027350H19 2.43851781 -2.877845530H20 3.30973363 -2.684612270H21 3.90298414 -2.152302980H22 2.55535197 0.1050275860H23 2.55535197 -0.7244284750H24 3.85086298 1.061938050H25 3.06244802 0.8042571540H26 4.48044205 0.8068184850H27 4.48044205 -1.426219340H28 5.01354742 -1.784648060H29 5.81060362 -1.784648060H30 6.49015331 -1.39230990H31 6.88868189 -0.7020385270H32 7.72141743 0.3809572160 H33 7.73425865 2.046673060!H34 6.29166365 2.87955594036              ! " !#0H00000000-0000-0000-0000-000000000000$ziD!qt?װ?-?C?|`?h`?@@?' ?:r`? ?߮?֯@?{&?i|?@?˫ ? `@ ?/:g9&8Oǃ:Qr?z,"-" = 0.04;"+" = 0.96;8>=mI P]]@(@(@,p@(@(@(@(@(@(@(@(@(@(@(@S @(@qEf&lE ([ zz?z?R?R?z?z?z?z?z?R?z2"no" = 0.67;"yes" = 0.33;8quLx7ː :>"-" = 0.0371353;"+" = 0.962865;8ys-`G"Pə ?z?RR?S??z???@?@?@?@???S6"low" = 0.73;"high" = 0.27;8#*W@ר 8?W`?ܠ?"?9?`? ?`?p?TH ???R?`?c @?b ?"?w?b jE"h ???q ~,`?"bB@2`;|`jÀ&P 㮈ހ@ @? cCH@3(?d?c+UQ ?? ?0O@?6:?Wn~R??΂?΂?΂?&@?ߡ{`?@ @?حg`%L̀2|9"low" = 0.0416667;"medium" = 0.541667;"high" = 0.166667;"very high" = 0.25;8ۻ;C|NO??9>CϬs}2F`? ? ? ? @ pDxԘȂ@ @?33@,VBtu^Q?(?T?*Y0@M@?@~~~? ?(?@@(?=̓ hC۫I6:tS1-362 N{?xr9@2???*ؚ4F7nANifô?? ?3 ??u`?@?p`? ?э ?ۀ??ó`?֠?J?у?\(`?<@G@?pzݏuTa;!Zǵ\Qȱa%8eOSA$ddbb3223-eaba-4df4-82a0-daa2cb50a22235#Br1 4.5242672 2.221759080C2 5.3960166 1.731806520C3 6.29405355 2.259560590C4 7.19613218 1.738745210C5 7.18810225 0.6971452830C6 6.27810097 0.1902995260C7 6.27810097 -0.8097004890C8 5.41207552 -1.309700490C9 4.54605055 -0.8097004890 C10 4.54605055 0.1902995260 C11 3.59983063 0.4950318630 C12 3.01622152 -0.3097004590 N13 3.59983063 -1.114432810 C14 3.28916812 -2.064953090C15 2.31066227 -2.271171810C162 -3.221692090C17 5.41207552 0.6902995710H18 6.29166365 2.879555940H19 7.73425865 2.04667330H20 7.72141743 0.3809572760H21 6.49015331 -1.39230990H22 6.88868189 -0.7020385860H23 5.01354694 -1.784647940H24 5.81060362 -1.784648060H25 4.48044252 -1.426219340H26 4.48044252 0.8068184260H27 3.85086322 1.061938050H28 3.0624485 0.8042572140H29 2.55535221 0.1050275710H30 2.55535221 -0.7244285350H31 3.30973339 -2.684612040H32 3.90298414 -2.152302980 H33 1.89659917 -1.809704780!H34 1.39332628 -3.349547620"H35 2.41406298 -3.68315911037                   ! "!#"$0H00000000-0000-0000-0000-000000000000$ziD!qt?̨`?#`?$?F ?֍7@?ԓ??@?w?q?] ?e+`?*`?啁?L ??@?/:g9&8Oǃ:Qr?z,"-" = 0.04;"+" = 0.96;8>=mI P]]@S @(@(@(@(@(@(@(@(@(@(@(@,p@(@(@(@(@rCrf&lE ([ ?zzzz?zz?z?R?z?zzzz?z?z2"no" = 0.71;"yes" = 0.29;8quLx7ː :?ݝ>"-" = 0.0371353;"+" = 0.962865;8ys-`G"Pə ??z?R?R?R?zzz?zzzzR?R???z2"low" = 0.6;"high" = 0.4;8#*W@ר 8? 7@?d`?i?@?q?@Z`?5wdd ?6lKF ?@?3jN?tG@?꼠?b jE"h ????CϬs}2F`? ? ? ? @ pDxԘȂ@"?33@,VBtu^Q?|?= ?pzƀ?p?e@zƀ|? WlWl?= @8`?=̓ hC۫I6:tS1-372 N{?xr9@2???@{tˍHJSANifô?`??1W?Ѩ?f?U?@?C+?9?& ?`?á`?΋?9??]p??@?J |\.B鰵KUHv AAP DrLs,Bv@?@?w`?bYt@`[V?'`@?ߜ}ęBFq-8Brc1cccc2CCC3C(CCN3CCC=C)c12QvޔߑkDÒ#q/Se#_#S].hP_`ޜc!(w O\=(΁y;>xZuak!Z׵\jQȱ%':mOSA$d60799bb-3ded-49ec-8b11-2902d5f8644a38#Br1 4.52426767 2.221759080C2 5.3960166 1.731806520C3 6.29405355 2.259560590C4 7.19613218 1.738745090C5 7.18810225 0.6971452240C6 6.27810144 0.1902994960C7 6.27810144 -0.8097004890C85.412076 -1.309700490C9 4.54605055 -0.8097004290 C10 4.54605055 0.1902995560 C11 3.59983039 0.4950318340 C12 3.01622152 -0.30970040 N13 3.59983039 -1.114432690 C14 3.28916812 -2.064953090C15 2.31066227 -2.271171810C162 -3.221692090C17 1.02149415 -3.42791080C185.412076 0.6902995710H19 6.29166365 2.879555940H20 7.73425913 2.04667330H21 7.7214179 0.3809572460H22 6.49015379 -1.39230990H23 6.88868237 -0.7020386460H24 5.0135479 -1.784647940H25 5.8106041 -1.784647940H26 4.48044252 -1.426219340H27 4.48044252 0.8068184850H28 3.85086322 1.061938050H29 3.06244826 0.8042571540H30 2.55535197 0.1050276530H31 2.55535197 -0.7244284150H32 3.30973363 -2.684612040 H33 3.9029839 -2.152302740!H34 2.29009676 -1.651512980"H35 1.69684625 -2.183822150#H36 2.41406298 -3.683159110$H37 0.607431054 -2.966443780%H38 0.828883469 -4.01723337040                  ! "!#"$#%$&%'0H00000000-0000-0000-0000-000000000000$ziD!qt?o`?- ??=?}?y?P?y?`?1?9 ?#?iC??V ?&@?Э ?؋ @?/:g9&8Oǃ:Qrzzzzzzzzzzzzzzzz,"-" = 0.06;"+" = 0.94;8>=mI P]]@S @(@(@(@(@(@(@(@(@(@(@(@,p@(@(@(@(@(@s#@f&lE ([ ?z?z?zz?z?z?z?zzz?z?z?z?R?z2"no" = 0.67;"yes" = 0.33;8quLx7ː :?ݝ?ݝ>"-" = 0.0371353;"+" = 0.962865;8ys-`G"Pə ?z?R?R?z?R?z?z?z?z???R?z?z6"low" = 0.62;"high" = 0.38;8#*W@ר 8?p?֠?q??V?x `?~ a;@?^tv???`?J ,D?e8?|?b jE"h ?????33@CϬs}2F`? ? ? ? @ pDxԘȂ@G?33@,VBtu^Q?k`()))!`ppU(# <`d ''!`@-@?=̓ hC۫I6:tS1-402 N{?xr9@2????@mcdEGA,aANifô?΢?В?l?ݼ?? ;??V@?]?pR%ak!ZŵBh!%'8iROSA$e2f90e50-677c-446d-b17b-506c5d91fbc137C12 -3.221692090C2 2.31066227 -2.271171810C3 3.28916812 -2.064953090N4 3.59983063 -1.114432810C5 3.01622152 -0.3097004590C6 3.59983063 0.4950318630C7 4.54605055 0.1902995410C8 4.54605055 -0.8097004890C9 5.41207552 -1.309700490 C10 6.27810097 -0.8097004890 C11 6.27810097 0.1902995260 C12 7.18810225 0.6971452830 C13 7.19613218 1.738745210 C14 6.29405355 2.259560590C15 5.3960166 1.731806520C16 5.41207552 0.6902995710H17 1.41067743 -3.029081340H18 1.80738938 -3.811014650H19 2.58932257 -3.414302830H20 2.29009676 -1.651512980H21 1.69684625 -2.183822150H22 3.30973339 -2.684612040H23 3.90298414 -2.152302980H24 2.55535221 0.1050275860H25 2.55535221 -0.7244285350H26 3.85086322 1.061938050H27 3.0624485 0.8042572140H28 4.48044252 0.8068184260H29 4.48044252 -1.426219340H30 5.01354694 -1.784647940H31 5.81060362 -1.784648060H32 6.49015331 -1.39230990 H33 6.88868189 -0.7020385860!H34 7.72141743 0.3809572760"H35 7.73425865 2.04667330#H36 6.29166365 2.879555940$H37 4.85553217 2.03557706039             ! " !# "$ #%$&0H00000000-0000-0000-0000-000000000000$ziD!qt?~?@?zX ?,`?b?W??@?"j?҈?Գ ?Ӹ%??Գ@?'@?/:g9&8Oǃ:Qr,"-" = 0.05;"+" = 0.95;8>=mI P]]@(@(@(@,p@(@(@(@(@(@(@(@(@(@(@(@(@j깠f&lE ([ z = =zz?z?zz2"no" = 0.72;"yes" = 0.28;8quLx7ː :?ݝ>"-" = 0.0371353;"+" = 0.962865;8ys-`G"Pə ?z?Rz@?z?R?z?z?zz?z?R???R?z6"low" = 0.76;"high" = 0.24;8#*W@ר 8??w?@??|J ? f??w@?p?X?V?`?`?~-?`?W?b jE"h ????q CϬs}2F`? ? ? ? @ pDxԘȂ@Q?33@,VBtu^Q??{T? p?ب? D?IJ?F@?H??Sh?;?IJ?IJ?IJ?IJ?;@ _?=̓ hC۫I6:tS1-42 N{?xr9@2???@_#D̃Y<ANifô?U??ҭ/@? ?Ķy???Ů?T@?|y@?L??L?Im@? @@|?( |\.B鰵KUH??V {> ym -`S ?Ӈ;`??fo`@`±@,{?ߜ}ęBFq-*COc1cccc2CC3NCCC3Cc12⾕Mvδ߁AF¡Zs=@phVxku٬&k^J7Ǯl(ޖ_v!,H^}6ǭ9?"}@ҙ'cb-յOSA$8cc9a1cc-5513-4f63-828d-06cb49d1913732C1 4.37715673 3.212613340O2 4.38224888 2.212626460C3 5.25080872 1.717042570C4 6.15224266 2.238973620C5 7.05093193 1.712331180C6 7.03616142 0.6708051560C7 6.12289906 0.1698592450C8 6.11642742 -0.8301198480C9 5.24718428 -1.324504730 N10 5.03169537 -2.294947150 C11 4.04232597 -2.391600610 C12 3.64309502 -1.48121130 C13 4.38441277 -0.8189106580 C14 4.3908844 0.181068450C15 5.26012754 0.6754533650H16 4.99714899 3.215770240H17 4.37400007 3.832605360H18 3.75716496 3.209456440H19 6.15386534 2.85897160H20 7.59104013 2.016770120H21 7.56741905 0.3511723280H22 6.32470512 -1.41408920H23 6.72769213 -0.7264118790H24 5.74592781 -1.692817930H25 5.44276333 -2.759083990H26 3.45149755 -2.579541210H27 4.16712856 -2.998909710H28 3.28090549 -0.9780029060H29 3.10460711 -1.788506750H30 3.81932664 -0.5638070110H31 4.1826067 0.7650378350H32 3.77961969 0.077360481034                    !0H00000000-0000-0000-0000-000000000000$ziD!qt???2?V?l?$?!y ?`?|'7@ [?]H?@? ?I ?g`?/:g9&8Oǃ:Qrz?zzz?zzzzz,"-" = 0.03;"+" = 0.97;8>=mI P]]@(@/@@(@(@(@(@(@(@(@,p@(@(@(@(@(@ii@f&lE ([ Rzzz?P?PRzz?P?P2"no" = 0.61;"yes" = 0.39;8quLx7ː :>"-" = 0.0371353;"+" = 0.962865;8ys-`G"Pə ?z?z?z?R?z@z?z?z6"low" = 0.78;"high" = 0.22;8#*W@ר 8 @/`??g?rk 6`Gћ?b%`?v.u,l@?1 ??=? @@b? ?حg`%L̀2|9?؀"low" = 0.0416667;"medium" = 0.541667;"high" = 0.166667;"very high" = 0.25;8ۻ;C|NO??@9>CϬs}2F`@`@`@`@ =@ =@ =@5B@pDxԘȂ@(?33@,VBtu^Q?@?`P????`P?yp@??y?`P@\{@?=̓ hC۫I6:tS1-262 N{?x??r9@2??? Ay 4$ANifô?`? ?@?ïx?|`?ę͠?t?&??z?Y?û?$?ٚ?@?`?`?á`@jؠ?' |\.B鰵KUHȠ(@(@'>, Z `? ?k?V ?z?ߜ}ęBFq-:Brc1cccc2CCC3C(CCN3CC4CC4)c12AvޔߑkD˒#q-Se#_#s.hPK9`ޔc!(W O\=8Ɓy:>xZ]ak#Zǵ\jQȱ%'8mOSA$283ec697-13ec-47ff-9a1b-b2c9d0f5178238#Br1 4.52426767 2.221759080C2 5.3960166 1.731806520C3 6.29405355 2.259560590C4 7.19613266 1.738745090C5 7.18810225 0.6971452830C6 6.27810097 0.1902995260C7 6.27810097 -0.8097004890C8 5.41207552 -1.309700490C9 4.54605007 -0.8097004290 C10 4.54605007 0.1902995560 C11 3.59983039 0.4950318930 C12 3.01622152 -0.3097004290 N13 3.59983039 -1.114432810 C14 3.28916836 -2.064953090C15 2.31066227 -2.271171810C16 1.36014199 -1.960509540C17 1.56636059 -2.939015390C18 5.41207552 0.6902994510H19 6.29166365 2.879555940H20 7.73425913 2.04667330H21 7.72141743 0.3809572160H22 6.49015331 -1.39230990H23 6.88868189 -0.7020386460H24 5.01354742 -1.784647940H25 5.81060362 -1.784647940H26 4.48044205 -1.426219340H27 4.48044205 0.8068184850H28 3.85086322 1.061938050H29 3.06244802 0.8042571540H30 2.55535197 0.1050276010H31 2.55535197 -0.7244284750H32 3.30973387 -2.68461180 H33 3.90298438 -2.152302740!H34 2.34418201 -1.652078630"H35 1.44749165 -1.346693520#H36 0.740483105 -1.981074930$H37 0.991105616 -3.17027640%H38 1.89400017 -3.46537304041                 ! " #!$"%#&$'%(0H00000000-0000-0000-0000-000000000000$ziD!qt??=?{@?Գh?`?{?w?@??@?p@??F??ۥ?{?{?L[@?/:g9&8Oǃ:QrzzzzzTzTTTTzzzzTTz("-" = 0.1;"+" = 0.9;8>=mI P]]@S @(@(@(@(@(@(@(@(@(@(@(@,p@(@(@(@(@(@s#@f&lE ([ z?R?z?z?z?R?z?z?z?zzz??z2"no" = 0.59;"yes" = 0.41;8quLx7ː :?ݝ>"-" = 0.0371353;"+" = 0.962865;8ys-`G"Pə ?R?z?z?z?zRzzzRz? =?R?z?z?z6"low" = 0.69;"high" = 0.31;8#*W@ר 8?Š?M?_?)?M ?`V@? Z8`?r? ?43 ?+?T ??u?u?`?9?b jE"h ????a CϬs}2F`? ? ? ? @ pDxԘȂ@ ?33@,VBtu^Q??G@G@G@?G@?@?~G@G@???PG@G@?@ ?=̓ hC۫I6:tS1-392 N{?xr9@2???@QmG5d,/ANifô?n?д(? e@? ?F@?F??)?V ?? S?A ??խ`?5@?%?`?F@? |\.B鰵KUH?_d`?[@`?]? ? "@jm(}wD`D`y0@?-`?ߜ}ęBFq-6FCCCN1CCC2C1CCc3cccc(Br)c23A~ޔߑkDӒ#q-įSe#_X'S.hԍK9`ޔc1(WO^=(ǁy:>xZUak1Zǵ\jQɱ%'xmKOSA$83261634-09e3-4995-96ac-c8f47dbd2c9337 F1 1.02149415 -3.42791080C22 -3.221692090C3 2.31066227 -2.271171810C4 3.28916812 -2.064953090N5 3.59983039 -1.114432810C6 3.01622152 -0.3097004290C7 3.59983039 0.4950318340C8 4.54605055 0.1902995410C9 4.54605055 -0.8097004290 C105.412076 -1.309700490 C11 6.27810144 -0.8097004890 C12 6.27810144 0.1902994960 C13 7.18810225 0.6971452240 C14 7.19613218 1.738745090C15 6.29405355 2.259560590C16 5.3960166 1.731806520#Br17 4.52426767 2.221759080C185.412076 0.6902995710H19 2.02056551 -3.841351030H20 2.61381602 -3.309041740H21 2.29009676 -1.651512980H22 1.69684625 -2.183822150H23 3.30973363 -2.684612040H24 3.9029839 -2.152302740H25 2.55535197 0.1050276530H26 2.55535197 -0.7244284750H27 3.85086322 1.061938050H28 3.06244826 0.8042571540H29 4.48044252 0.8068184850H30 4.48044252 -1.426219340H31 5.0135479 -1.784647940H32 5.8106041 -1.784647940 H33 6.49015379 -1.39230990!H34 6.88868237 -0.7020386460"H35 7.7214179 0.3809572460#H36 7.73425913 2.04667330$H37 6.29166365 2.87955594039              ! " !# "$ #%$&0H00000000-0000-0000-0000-000000000000$ziD!qt?`?c`??Z ?=?~?6i?u ?$`?^?f?=5?A?+? ?=? ?,݀@4?/:g9&8Oǃ:Qrzzzzzzzzz?zzzzzzzz,"-" = 0.06;"+" = 0.94;8>=mI P]]@2`@(@(@(@,p@(@(@(@(@(@(@(@(@(@(@(@S @(@sf&lE ([ ?z?z?z?z??z?R?z?z?z2"no" = 0.68;"yes" = 0.32;8quLx7ː :?ݝ?ݝ>"-" = 0.0371353;"+" = 0.962865;8ys-`G"Pə ?z?@?RR?z?z?z?z?z?z?S?z?S?z?z?z6"low" = 0.73;"high" = 0.27;8#*W@ר 8??n?ĝ@?C?Œg?xu@?$g?*?*`?`}U? ?A@?a`????\?1 ?b jE"h ?????33@Y?`@?حg`%L̀2|9?/?/"low" = 0.0416667;"medium" = 0.541667;"high" = 0.166667;"very high" = 0.25;8ۻ;C|NO??9>CϬs}2F`? ? ? ? @ pDxԘȂ@ ?33@,VBtu^Qn:???u[n:?K |?z?K )?`@y?=̓ hC۫I6:tS1-422 N{?xr9@2????@sLIpV;-ANifô@p ?{`?²\?à ?¥׀?([@?Հ?y?1??_`???ڝ?Ш?Zs@?W?@q ?j@|\.B鰵KUH? ?; @\؆`i`I D `!T% j?x.Z`Y&`?B?ߜ}ęBFq-@NC(=O)c1cccc2CCC3C(CCN3CCC=C)c12OבKĥ3q/`Rlߏ#SvYn?Ymd:ޞn1(c_]-΅k'>pR5%eo'ZJQ۽':i aOSA$d192744e-9c2b-447f-b436-2708b3656c4442N1 4.51270437 3.221692090C2 4.52426767 2.221758840O3 3.66408134 1.71177840C4 5.3960166 1.731806520C5 6.29405355 2.259560590C6 7.19613218 1.738745090C7 7.18810225 0.6971452240C8 6.27810144 0.1902994810C9 6.27810144 -0.8097005490 C105.412076 -1.309700490 C11 4.54605055 -0.8097004890 C12 4.54605055 0.1902995260 C13 3.59983039 0.4950318630 C14 3.01622152 -0.3097004590N15 3.59983039 -1.114432690C16 3.28916812 -2.064953090C17 2.31066227 -2.271171810C182 -3.221692320C19 1.02149415 -3.42791080C205.412076 0.6902995110H21 5.04601955 3.537880180H22 3.97221994 3.525462630H23 6.29166365 2.879555940H24 7.73425913 2.046673060H25 7.7214179 0.3809572460H26 6.49015379 -1.392310020H27 6.88868237 -0.7020387050H28 5.0135479 -1.784648060H29 5.8106041 -1.784648060H30 4.48044252 -1.426219460H31 4.48044252 0.8068184260H32 3.85086322 1.061938050 H33 3.06244826 0.8042571540!H34 2.55535197 0.1050275860"H35 2.55535197 -0.7244284750#H36 3.30973363 -2.684612040$H37 3.9029839 -2.152302740%H38 2.29009676 -1.651512860&H39 1.69684625 -2.183822150'H40 2.41406298 -3.683159350(H41 0.607431054 -2.966443780)H42 0.828883529 -4.01723385044                  ! " !# "$#%$&%'&(')(*)+0H00000000-0000-0000-0000-000000000000$ziD!qttj?ϯ8?@?՛?ԁ?ʲ??~?,?R?ˀ?@?2!?*`? Š?x`?˞???/:g9&8Oǃ:QrzPPzzzz,"-" = 0.26;"+" = 0.74;8>=mI P]]@,p@(@/@@(@(@(@(@(@(@(@(@(@(@(@,p@(@(@(@(@(@pf&lE ([ ?zzzzzz?zR?z??z?zRzzz?z?z2"no" = 0.57;"yes" = 0.43;8quLx7ː :?ݝ?ݝ>"-" = 0.0371353;"+" = 0.962865;8ys-`G"Pə RzRzz?z?z?z?z?zR?zzz6"low" = 0.75;"high" = 0.25;8#*W@ר 8Z@`@r!`Rxt__`Kl{p N`UA@??ox?2?[@}`?v?b jE"h ???????Eр@?]`?[`?[`?[`?`ys ?ph?͂E ?@?Q?w?5?N?`?NT?Ї0`@4 ?حg`%L̀2|9?.?????/?/??"low" = 0.0454545;"medium" = 0.227273;"high" = 0.5;"very high" = 0.227273;8ۻ;C|NO???@9>CϬs}2F`@*@5 @!? ? ? ? @G*=pDxԘȂ@ .?33@,VBtu^Q?,?Հtjtjtj?Հ?) @h~o@[f` ?M??x@@@?=̓ hC۫I6:tS1-502 N{?x??r9@2??????@hgHM:i;tANifô?,?P?1@?a??€?9 ?8?`?/W`?@?GF`?Y-??O@9?|\.B鰵KUH?N`?B?@?C?@uiM@^!^!<1`@׀?yC?ߜ}ęBFq-0CN1CCC2C1CCc3cccc(Br)c23AtޔߑkD#q-Se!_#S hPK1` ޔc!WO\(Ɓy:>pZU`+!Zǵ\jQȱa%'8eOSA$77b25e57-752a-41e1-a0d7-3df9dd3f150931C1 3.28916836 -2.064953090N2 3.59983063 -1.114432810C3 3.01622152 -0.3097004290C4 3.59983063 0.4950318630C5 4.54605007 0.1902995260C6 4.54605007 -0.8097004290C75.412076 -1.309700490C8 6.27810097 -0.8097004890C9 6.27810097 0.1902994960 C10 7.18810225 0.6971452240 C11 7.19613218 1.738745090 C12 6.29405355 2.259560590 C13 5.3960166 1.731806640# Br14 4.5242672 2.221758840C155.412076 0.6902995710H16 2.69984579 -1.872342590H17 3.09655786 -2.654275660H18 3.87849092 -2.257563590H19 2.55535197 0.1050276530H20 2.55535197 -0.7244284750H21 3.85086346 1.061938050H22 3.0624485 0.8042572740H23 4.48044252 0.8068184850H24 4.48044252 -1.426219340H25 5.01354742 -1.784648060H26 5.81060457 -1.784647940H27 6.49015379 -1.392309780H28 6.88868189 -0.7020385860H29 7.72141743 0.3809571560H30 7.73425865 2.04667330H31 6.29166365 2.87955594033              0H00000000-0000-0000-0000-000000000000$ziD!qt?k2?s`?Nz@??? ??>@?֋ ?Go?: ?ԢC?̿?+?VU`?/:g9&8Oǃ:Qrzzzzzzz?z,"-" = 0.04;"+" = 0.96;8>=mI P]]@(@,p@(@(@(@(@(@(@(@(@(@(@(@S @(@pf&lE ([  =zz?z?R?z?z =?R2"no" = 0.65;"yes" = 0.35;8quLx7ː :>"-" = 0.0371353;"+" = 0.962865;8ys-`G"Pə ?zR?zz?z?z?z?z?z?z?z6"low" = 0.75;"high" = 0.25;8#*W@ר 8?x @?S@?@??t?m?yM?>??G`?)??q?k?m?b jE"h CϬs}2F`? ? ? ? @ pDxԘȂ@z@?33@,VBtu^Q{wC?[??$`?[?#`   ?#`?`?#`@ ?=̓ hC۫I6:tS1-352 N{?xr9@2:A#xÎANifô]``6`?`?©T?{?4??x?s< ?@?X? ??ϙ߀?ۊ?W?:?@?`@`?`|\.B鰵KUH?3A9?2P9`»"HEVC`?v?{Π?k`bh@?…?ߜ}ęBFq-@NC(=O)c1cccc2CCC3C(CCN3CCCCl)c12OבKƥ3q/`Rlߏ#Svn?Yomd:ޖn1(C_]-ƅk&pR%eo'[ZJYӽ'8i (OSA$2b5851df-c963-4c6f-83c2-6579ea9ef96341N1 4.51270437 3.221692090C2 4.52426767 2.221758840O3 3.66408134 1.71177840C4 5.3960166 1.731806520C5 6.29405355 2.259560590C6 7.19613218 1.738745090C7 7.18810225 0.6971452240C8 6.27810144 0.1902994810C9 6.27810144 -0.8097005490 C105.412076 -1.309700490 C11 4.54605055 -0.8097004890 C12 4.54605055 0.1902995260 C13 3.59983039 0.4950318630 C14 3.01622152 -0.3097004590N15 3.59983039 -1.114432690C16 3.28916812 -2.064953090C17 2.31066227 -2.271171570C182 -3.221692090Cl19 1.02149415 -3.42791080C205.412076 0.6902995110H21 5.04601955 3.537880180H22 3.97221994 3.525462630H23 6.29166365 2.879555940H24 7.73425913 2.046673060H25 7.7214179 0.3809572160H26 6.49015379 -1.392310020H27 6.88868237 -0.7020387050H28 5.0135479 -1.784648060H29 5.8106041 -1.784648060H30 4.48044252 -1.426219340H31 4.48044252 0.8068184260H32 3.85086322 1.061938050 H33 3.06244826 0.8042572140!H34 2.55535197 0.1050276010"H35 2.55535197 -0.7244284750#H36 3.30973363 -2.684612040$H37 3.9029839 -2.152302740%H38 2.29009676 -1.651512860&H39 1.69684625 -2.183821920'H40 2.02056551 -3.841350790(H41 2.61381602 -3.30904198043                  ! " !# "$#%$&%'&(')(*0H00000000-0000-0000-0000-000000000000$ziD!qt$?"` ̼ ?*?t?a ??2*`?d@?'?3e ??B???I?آ2?K?_? ?/:g9&8Oǃ:QrPzzzzz?zzzz,"-" = 0.27;"+" = 0.73;8>=mI P]]@,p@(@/@@(@(@(@(@(@(@(@(@(@(@(@,p@(@(@(@A@(@rLf&lE ([ ?Rzzzzzz?zR?R?z?z?RzRRz?z2"no" = 0.62;"yes" = 0.38;8quLx7ː :?ݝ?ݝ>"-" = 0.0371353;"+" = 0.962865;8ys-`G"Pə R?z?z?z?z?z?z?R?z?z?z?z?Rz?z?z?z?z6"low" = 0.72;"high" = 0.28;8#*W@ר 8``? /bt*[Oz] @u \obs%`@??LK?G?F??b jE"h ???????EрCϬs}2F`@*@5 @!? ? ? ? @G*=pDxԘȂ@G ?33@,VBtu^Q?%?H?????P?*@?G ??*@?P1?3?`?@??@ ?=̓ hC۫I6:tS1-532 N{?x??r9@2??????@[@QoANifô?U@?@?Ă?>?éZ? ?ĭd@? ?1x???@?ъ? ?j?Q^?S`?J@ ?|\.B鰵KUH?# ?!0ra} ªc}ъ&r - ?h#n ?@?پ@F 4ߠm\j?N?ߜ}ęBFq-6COc1cccc2CCC3C(CCN3CC=C)c12⾑Ov޴ߙKVZq-rn#]Xk tkZʂ3Ǭn8ޞa,H^|hƁD{">ݏ5P%c;-[Zյ<!e/xaOSA$d7b7f998-65ad-42d0-a384-ce56e9cfa16e39C1 4.5127039 3.221692090O2 4.5242672 2.221759080C3 5.3960166 1.731806520C4 6.29405355 2.259560590C5 7.19613218 1.738745210C6 7.18810225 0.6971452830C7 6.27810097 0.1902995410C8 6.27810097 -0.8097004890C9 5.41207552 -1.309700490 C10 4.54605055 -0.8097004890 C11 4.54605055 0.1902995410 C12 3.59983063 0.4950318340 C13 3.01622152 -0.3097004590 N14 3.59983063 -1.114432810C15 3.28916812 -2.064953090C16 2.31066227 -2.271171810C172 -3.221692090C18 5.41207552 0.6902995110H19 5.1326623 3.228861090H20 4.50553465 3.841650720H21 3.89274526 3.214522840H22 6.29166365 2.879555940H23 7.73425865 2.04667330H24 7.72141743 0.3809572460H25 6.49015331 -1.39230990H26 6.88868189 -0.7020386460H27 5.01354694 -1.784647940H28 5.81060362 -1.784648060H29 4.48044252 -1.426219460H30 4.48044252 0.8068184850H31 3.85086322 1.061938050H32 3.0624485 0.8042572140 H33 2.55535221 0.1050276230!H34 2.55535221 -0.7244285350"H35 3.30973339 -2.684612040#H36 3.90298414 -2.152302740$H37 1.89659917 -1.809704780%H38 1.39332628 -3.349547620&H39 2.41406298 -3.68315911041                 ! " !#"$#%$&%'&(0H00000000-0000-0000-0000-000000000000$ziD!qt??@?K`?<@?w ?֞?u@??J?zJ@?gy?s?YK?@?р?t?،9?!?/:g9&8Oǃ:Qr?zz?z?z,"-" = 0.06;"+" = 0.94;8>=mI P]]@(@/@@(@(@(@(@(@(@(@(@(@(@(@,p@(@(@(@(@nk `f&lE ([ ?z?zzz?zz?R?Q?R?R?Rz?z?z2"no" = 0.58;"yes" = 0.42;8quLx7ː :?ݝ>"-" = 0.0371353;"+" = 0.962865;8ys-`G"Pə ?zz?R?RzzzzRz@??z?z2"low" = 0.7;"high" = 0.3;8#*W@ר 8?D?CϬs}2F`@`@`@`? ? ? ? @(pDxԘȂ@! @?33@,VBtu^Qr?`?N0`$`p`r?+@?C?(?@x?=̓ hC۫I6:tS1-52 N{?xr9@2?????@WC }UpRd/'[ZJQiӽ'8aOSA$96012466-7b8f-44b0-8e35-3bd53f65f72435C1 3.28916836 -2.064953090N2 3.59983063 -1.114432810C3 3.01622152 -0.3097004590C4 3.59983063 0.4950318630C5 4.54605007 0.1902995560C6 4.54605007 -0.8097004890C75.412076 -1.309700490C8 6.27810097 -0.8097005490C9 6.27810097 0.1902995410 C10 7.18810225 0.6971452830 C11 7.19613218 1.738745210 C12 6.29405355 2.259560590 C13 5.3960166 1.731806520 C14 4.5242672 2.221759080O15 3.66408157 1.71177840N16 4.51270437 3.221692090C175.412076 0.6902995110H18 2.69984579 -1.872342350H19 3.09655762 -2.654275660H20 3.87849092 -2.257563830H21 2.55535197 0.1050275860H22 2.55535197 -0.7244284750H23 3.85086322 1.061938050H24 3.0624485 0.8042572740H25 4.48044252 0.8068185450H26 4.48044252 -1.426219460H27 5.01354742 -1.784648180H28 5.81060457 -1.784647940H29 6.49015331 -1.39230990H30 6.88868189 -0.7020385860H31 7.72141743 0.3809571860H32 7.73425865 2.04667330 H33 6.29166365 2.879555940!H34 5.04601908 3.537880180"H35 3.97221947 3.52546263037              ! "!#"$0H00000000-0000-0000-0000-000000000000$ziD!qt?x/Ӝ`?E@?f ?"@?nl`? @?+?ԃ ?|?Ԫ???%3`v?Q?~}@?/:g9&8Oǃ:Qr?zTz,"-" = 0.23;"+" = 0.77;8>=mI P]]@(@,p@(@(@(@(@(@(@(@(@(@(@(@(@/@@,p@(@lРf&lE ([ z?zz?z?R?z?z?z?z?z?z??z2"no" = 0.63;"yes" = 0.37;8quLx7ː :>"-" = 0.0371353;"+" = 0.962865;8ys-`G"Pə z?z?z?z?z?z6"low" = 0.81;"high" = 0.19;8#*W@ר 8y7,+$`w Iɀ٠zb64xYDQ`B@rq@zȠ?i+љ@m?b jE"h ???CϬs}2F`? ? ? ? @5 @!@*@G*=pDxԘȂ@\ ?33@,VBtu^Q?y?<|?y?y?j>??y?͒`?y?p?p?p?y?p??E0?y@^?=̓ hC۫I6:tS1-452 N{?x??r9@2???'6u*:B\)'RANifô?.n?rd?g`?$?ù?(R?@?+^?:@?n?tP?ɨ?Ύn@?m?h@?q?q?TǠ?M@E@?!|\.B鰵KUH?sm? _A`J V<?i ?1?*f@1̀@̀@\V?#?ߜ}ęBFq-:COc1cccc2CC3C(CCN3CC4CC4)Cc12⾕Mvδ߁AFҡ[s=@phVxku٬&k^J?Ǯl(_v!,I^}6ǭ9?"}ҝ'cf/յ=mI P]]@(@/@@(@(@(@(@(@(@(@(@(@(@,p@(@(@(@(@(@(@pf&lE ([ zRz?z?R?z?z?z?z?z?z2"no" = 0.53;"yes" = 0.47;8quLx7ː :?ݝ>"-" = 0.0371353;"+" = 0.962865;8ys-`G"Pə ?z? =?R@????z?R?z?R?z?R@?R@???z?6"low" = 0.67;"high" = 0.33;8#*W@ר 8F@?ޣ??`?_0? ?ZXLp_?qh? ?? v? ? ?QA?ZX?~v?b jE"h ??????t] CϬs}2F`@`@`@`? ? ? ? @(pDxԘȂ@(?33@,VBtu^Q?B@G?t̀?t̀G@GwF?w@BB@G@`?=̓ hC۫I6:tS1-212 N{?xr9@2?????@P92{D~L'`{!;ANifô??z@?$??ó?*?\?X@?F?Û??j?Qo@? ??2 ?^`?@?@|\.B鰵KUH?# ?!0{2娀3qh)?F?پ@F 4ߠm\&ъٙ?N?ߜ}ęBFq-6COc1cccc2C3CCN(CC=C)C3CCc12⾑v޴ߑKFZq-rl]k ukZJ3Ǭn8ޞa,H^}hƁy|ݯ5P'c;-[Z׵<[!g/8aOSA$0fc2f688-777b-4f1d-a675-fbf454aaa68539C1 8.92003727 0.677117050O2 8.04828835 0.187164620C3 7.18810225 0.6971452830C4 7.19613218 1.738745210C5 6.29405355 2.259560590C6 5.3960166 1.731806520C7 5.41207552 0.6902995710C8 4.54605055 0.1902995260C9 3.59983063 0.4950318630 C10 3.01622152 -0.3097004590 N11 3.59983063 -1.114432810 C12 3.28916812 -2.064953090 C13 2.31066227 -2.271171810 C142 -3.221692090C15 4.54605055 -0.8097004890C16 5.41207552 -1.309700490C17 6.27810097 -0.8097004890C18 6.27810097 0.1902995260H19 9.22380829 0.1366326360H20 9.4605217 0.9808875920H21 8.61626625 1.217601540H22 7.73425865 2.04667330H23 6.29166365 2.879555940H24 4.85553217 2.035577060H25 4.48044252 0.8068184260H26 3.85086322 1.061938050H27 3.0624485 0.8042572140H28 2.55535221 0.1050275710H29 2.55535221 -0.7244285350H30 3.30973339 -2.684612040H31 3.90298414 -2.152302980H32 1.89659917 -1.809704780 H33 1.39332628 -3.349547620!H34 2.41406298 -3.683159110"H35 4.48044252 -1.426219340#H36 5.01354694 -1.784647940$H37 5.81060362 -1.784648060%H38 6.49015331 -1.39230990&H39 6.88868189 -0.702038586041             ! " !#"$#%$&%'&(0H00000000-0000-0000-0000-000000000000$ziD!qt?9?ł??@?a?՝?×?֪??GҀ?߀??! ?i`?@?T`?Q`?@?'`?/:g9&8Oǃ:Qr?zz?z?z,"-" = 0.06;"+" = 0.94;8>=mI P]]@(@/@@(@(@(@(@(@(@(@(@,p@(@(@(@(@(@(@(@nk `f&lE ([ ?z?zzz?z?z?R?Rz?z?Q?Rz?z2"no" = 0.58;"yes" = 0.42;8quLx7ː :?ݝ>"-" = 0.0371353;"+" = 0.962865;8ys-`G"Pə ?zz?R?RzRz@??z?zzzz2"low" = 0.7;"high" = 0.3;8#*W@ר 8?D??? ?O?Qf ? @pk`??¥@~0}~?P ?wO'?i?b jE"h ??????33@CϬs}2F`@`@`@`? ? ? ? @(pDxԘȂ@ff`?33@,VBtu^Qr?`?N@r??C?0?:@ @b`?=̓ hC۫I6:tS1-122 N{?xr9@2?????@˶6GM>ANifô?`?T_ ??b??c`?]?8`?0?h?$`? ?@?Œ?;\?F@?I@?@@?lP|\.B鰵KUH@z,?΂@&G@'U wSK;`r3L?tY??ߜ}ęBFq-<CCCN1CCC2C1CCc3cccc(C(=O)C)c23Ӈבkĥ#q-`Zd_Y#stnlYJ9E`ޞj1(CN]-΅kכ&>pR%ak%ZZŷJQSӵ'ဗ8 aOSA$b7af2546-d3a1-409e-b68b-efe58929355942C12 -3.221692090C2 2.31066227 -2.271171810C3 3.28916812 -2.064953090N4 3.59983063 -1.114432810C5 3.01622152 -0.3097004590C6 3.59983063 0.4950318340C7 4.54605055 0.1902995410C8 4.54605055 -0.8097004890C9 5.41207552 -1.309700490 C10 6.27810097 -0.8097004890 C11 6.27810097 0.1902995410 C12 7.18810225 0.6971452830 C13 7.19613218 1.738745210 C14 6.29405355 2.259560590C15 5.3960166 1.731806520C16 4.5242672 2.221759080O17 3.66408134 1.71177840C18 4.5127039 3.221692090C19 5.41207552 0.6902995110H20 1.41067743 -3.029081340H21 1.80738938 -3.811014650H22 2.58932257 -3.414302830H23 2.29009676 -1.651512980H24 1.69684625 -2.183822150H25 3.30973339 -2.684612040H26 3.90298414 -2.152302740H27 2.55535221 0.1050276230H28 2.55535221 -0.7244285350H29 3.85086322 1.061938050H30 3.0624485 0.8042572140H31 4.48044252 0.8068184850H32 4.48044252 -1.426219460 H33 5.01354694 -1.784647940!H34 5.81060362 -1.784648060"H35 6.49015331 -1.39230990#H36 6.88868189 -0.7020386460$H37 7.72141743 0.3809572460%H38 7.73425865 2.04667330&H39 6.29166365 2.879555940'H40 5.1326623 3.228861090(H41 4.50553465 3.841650720)H42 3.89274526 3.21452284044             ! "!# "$ #% $& %' &(')(*)+0H00000000-0000-0000-0000-000000000000$ziD!qt?w@?ޜ`?.<֠??kY??x??@?Ҁ?`?$?X=? ?ӚM ?H???/:g9&8Oǃ:Qrzzzzzzzzz,"-" = 0.13;"+" = 0.87;8>=mI P]]@(@(@(@,p@(@(@(@(@(@(@(@(@(@(@(@(@/@@(@(@pf&lE ([ zzR =z?Szzzzz?z2"no" = 0.73;"yes" = 0.27;8quLx7ː :?ݝ>"-" = 0.0371353;"+" = 0.962865;8ys-`G"Pə ??R?@@zzzzzzzz?z?R?zz6"low" = 0.72;"high" = 0.28;8#*W@ר 8??D?`?@?=id@?M`?qk?A??@?@?ů@?{?XD@: ? `g[?z`?毱?b jE"h ??????I$>> P$`@vA@ A?)` cCH@3(? < ?f?2ݠA?KA?ΗT?ɪ?̟:?@?ѕ?ѣP?|?|?|?f?z`bx?O@M`?حg`%L̀2|9?؀?/"low" = 0.0416667;"medium" = 0.541667;"high" = 0.166667;"very high" = 0.25;8ۻ;C|NO??@9>CϬs}2F`? ? ? ? @!@!@4O\ pDxԘȂ@"?33@,VBtu^Q??P?Pn?@??`?????x?x?x? 8? ?4p?<?d@&?=̓ hC۫I6:tS1-322 N{?xr9@2?????@7nT+@/4xANifô??@?L?@?Ô ?¶v?ô\?0??àS ?κJ@?d@?λC ???1!?ނ?`?`@?i|\.B鰵KUH??B -.@`@R@??0π?O`)`Xt9 9 tbo |@Qo?Lp`?ߜ}ęBFq-:COc1cccc2C3CCN(CC4CC4)C3CCc12⾕v޴ߑKFңZq-@rl]ku.kZJ;Ǭl8ޖb!,IN}ǭxƁy|ݯ'ck/[Z׵ ?x`?ﺠ@t?/:g9&8Oǃ:Qr?z?zzz?z?z?z?z?z?z?z?z?zz,"-" = 0.09;"+" = 0.91;8>=mI P]]@(@/@@(@(@(@(@(@(@(@(@,p@(@(@(@(@(@(@(@(@pf&lE ([ zzzz?z?z?z?z?z?z?z??zR?z2"no" = 0.56;"yes" = 0.44;8quLx7ː :?ݝ>"-" = 0.0371353;"+" = 0.962865;8ys-`G"Pə ?z??zzzR@??z?R?R?z6"low" = 0.76;"high" = 0.24;8#*W@ר 8o?b-? ?S?% ?4?qYa`S?nd???|?l@?l@yI?6?w ? q ?b jE"h ??????t] CϬs}2F`@`@`@`? ? ? ? @(pDxԘȂ@?33@,VBtu^Qu??pW???`?Wu?X@? ?0?@?@?qB[? @t ?=̓ hC۫I6:tS1-112 N{?xr9@2?????@- Aw[Y(ANifô?Ǥ?ą??t `?x??@?`?[`??f??‹ ?iS?—`?2oХ`??9b @? `|\.B鰵KUH ^ m #?]}5m78^`oDNsZ ?}I@?@ _?}v ?ߜ}ęBFq-FCC(=CCN1CCC2C1CCc3cccc(C(=O)N)c23)COדKƥ3q/Rlߏ'Sv^?Yo5mf:ޞqC_]捨ƅ$k'>prݏ5e?'{ZQiӽ/З8i OSA$7d64db35-edf9-4ac1-9131-ef2b028ae1c445C1 2.66784358 -3.965993640C22 -3.221692090C3 2.31066227 -2.271171810C4 3.28916812 -2.064953090N5 3.59983039 -1.114432690C6 3.01622152 -0.30970040C7 3.59983039 0.4950318630C8 4.54605055 0.1902995410C9 4.54605055 -0.8097004290 C105.412076 -1.309700490 C11 6.27810144 -0.8097004890 C12 6.27810144 0.1902994960 C13 7.18810225 0.6971452240 C14 7.19613218 1.738745090C15 6.29405355 2.259560590C16 5.3960166 1.731806520C17 4.52426767 2.221759080O18 3.66408134 1.71177840N19 4.51270437 3.221692320C205.412076 0.6902995710C21 1.02149415 -3.42791080H22 2.20637655 -4.380056380H23 3.08190656 -4.427460670H24 3.12931037 -3.551930670H25 1.89659929 -1.809704780H26 3.30973363 -2.684612040H27 3.9029839 -2.152302740H28 2.55535197 0.1050276830H29 2.55535197 -0.7244284150H30 3.85086322 1.061938050H31 3.06244826 0.8042571540H32 4.48044252 0.8068184260 H33 4.48044252 -1.426219340!H34 5.0135479 -1.784648060"H35 5.8106041 -1.784648060#H36 6.49015379 -1.39230990$H37 6.88868237 -0.7020386460%H38 7.7214179 0.3809572160&H39 7.73425913 2.046673060'H40 6.29166365 2.879555940(H41 5.04601955 3.537880180)H42 3.97221994 3.525462870*H43 0.893638492 -2.821237090+H44 0.414820403 -3.555766340,H45 1.14934969 -4.03458452047             ! " !# "$ #% $& %' &(')(*)+*,+-,.0H00000000-0000-0000-0000-000000000000$ziD!qt?ÜC?m?ֹ% ?%`xZ?a>?g?@?Ȃ?H ?i?(? ? ?ݤ?*@?V+1/?r`?A`?0@?/:g9&8Oǃ:Qr?zzPz,"-" = 0.25;"+" = 0.75;8>=mI P]]@(@(@(@(@,p@(@(@(@(@(@(@(@(@(@(@(@(@/@@,p@(@(@q\f&lE ([ ?zzRz?z?z?zzz??z2"no" = 0.56;"yes" = 0.44;8quLx7ː :?ݝ>"-" = 0.0371353;"+" = 0.962865;8ys-`G"Pə ?녀?z??Rz?R?z?z??z?z?R?R?R?z?Rzz?6"low" = 0.64;"high" = 0.36;8#*W@ר 8?E?ڴ?N?`O@w ֠a@6F{Yr``~)d*,wR;-ɋ`=@B4?U jE"h ??????@CϬs}2F`? ? ? ? @5 @!@*@G*=pDxԘȂ@G ?33@,VBtu^Q?ŜL??l(?=??D?$?W<?Ļ<?$?H?D?U?U?U?W???< ??ŜL@ R?=̓ hC۫I6:tS1-542 N{?x??r9@2?????@C-K'HANifô?r?k?r?ٟ!`?L?&Z@??i??:???@?ɠ?k@?›`?a@`?K @@?!|\.B鰵KUH@I@@?qBA@Wh 07@h`GD@`id@? ^`?-@ ??ߜ}ęBFq-BCC(C)CN1CCC2C1CCc3cccc(C(=O)N)c23OבKĥ3q/`Rlߏ#Svn?Yo9md:ޖn1(C_]-ƅk&>pR%eo'[ZJQӽ'8i OSA$8a23ff25-238c-4b22-a817-915b953ccca544C1 1.64281869 -1.526870130C2 2.31066227 -2.271171810C32 -3.221692320C4 3.28916812 -2.064953090N5 3.59983063 -1.114432690C6 3.01622152 -0.3097004890C7 3.59983063 0.4950318340C8 4.54605007 0.1902995260C9 4.54605007 -0.8097004890 C10 5.41207552 -1.309700490 C11 6.27810097 -0.8097004890 C12 6.27810097 0.1902994960 C13 7.18810225 0.6971452830 C14 7.19613218 1.738745090C15 6.29405308 2.259560590C16 5.39601612 1.731806520C17 4.5242672 2.221758840O18 3.66408134 1.71177840N19 4.5127039 3.221692090C20 5.41207552 0.6902995110H21 2.10428572 -1.112807040H22 1.22875559 -1.06540310H23 1.18135166 -1.940933230H24 1.70398855 -2.399027350H25 1.41067731 -3.029081820H26 1.8073895 -3.811014890H27 2.58932257 -3.414302830H28 3.30973339 -2.684612040H29 3.9029839 -2.152302740H30 2.55535221 0.1050275860H31 2.55535221 -0.7244285940H32 3.85086322 1.061938050 H33 3.0624485 0.8042572140!H34 4.48044205 0.8068184850"H35 4.48044205 -1.426219340#H36 5.01354742 -1.784648060$H37 5.81060362 -1.784648060%H38 6.49015331 -1.392310020&H39 6.88868189 -0.7020386460'H40 7.72141743 0.3809572160(H41 7.73425865 2.04667330)H42 6.29166317 2.879555940*H43 5.04601955 3.537880180+H44 3.97221971 3.52546263046             ! "!#"$ #% $& %' &( ') (*)+*,+-0H00000000-0000-0000-0000-000000000000$ziD!qt?3?) ?3?c$ @?r`???S? ?F?}h`?D?"? ??!`Έ߷3`?(?cZ ?/:g9&8Oǃ:Qr?zzz,"-" = 0.26;"+" = 0.74;8>=mI P]]@(@(@(@(@,p@(@(@(@(@(@(@(@(@(@(@(@(@/@@,p@(@q/f&lE ([ zzzRzz?RzzzzzRz?Q2"no" = 0.58;"yes" = 0.42;8quLx7ː :?ݝ>"-" = 0.0371353;"+" = 0.962865;8ys-`G"Pə ?zz?z?zz@zzzzzzzz?zzR6"low" = 0.79;"high" = 0.21;8#*W@ר 8??V??@p|l u`>Z= w`1 w,0G1@D8#f?S?b jE"h ??????t] CϬs}2F`? ? ? ? @5 @!@*@G*=pDxԘȂ@?33@,VBtu^Q?O??O?@Z?[?O?`4(?O??uP?p?p?p? 0?1P?@ ?=̓ hC۫I6:tS1-552 N{?x??r9@2?????@LD .BoM))4ANifô?{@?@ ?݄??R??E?`?Ŕ?ɀ?d`?Q@?& ??@??-@8_?& @|\.B鰵KUHЀ?ډ2? ?{@r /?nW`(@  `o?F?ߜ}ęBFq-2CCCN1CCC2Cc3c(O)cccc3CC21⾕MvδׁAFҡ[s=@phVx+uY&j\J=Ůl(Wv!(@ ^|497"uҝ%cf-ŵ<)FY(!ѥ%8ivOSA$e9d4c355-60d5-4e17-864a-f57769c6f25438C1 8.078109742.6313870C2 7.76744747 1.680866840C3 6.788941861.4746480N4 6.47827959 0.5241276620C5 7.06188869 -0.2806046310C6 6.47827959 -1.085336920C7 5.53205967 -0.7806046610C8 4.66603422 -1.28060460C9 3.80000877 -0.7806046610 C10 2.90606689 -1.315265890 O11 2.9176302 -2.315199140 C122 -0.8014200330 C132 0.2402107860 C14 2.90606689 0.7540566330C15 3.80000877 0.2193953540C16 4.66603422 0.7193953390C17 5.53205967 0.2193953540H18 8.66743279 2.438776250H19 8.27072048 3.220709560H20 7.48878717 2.82399750H21 7.78801298 1.061207890H22 8.38126373 1.593517070H23 6.76837635 2.094306710H24 6.17512608 1.561997650H25 7.52275801 -0.6953327060H26 7.52275801 0.1341234450H27 6.22724676 -1.652243140H28 7.01566172 -1.394562240H29 5.59766769 -1.397123580H30 4.26750612 -1.755552170H31 5.06456232 -1.755552170H32 2.38431501 -2.6313870 H33 1.46426308 -1.113487360!H34 1.46426308 0.5522781010"H35 2.91323614 1.374015210#H36 5.06456232 1.194342850$H37 4.26750612 1.194342850%H38 5.59766769 0.835914314040           ! " !# "$#%$&%'0H00000000-0000-0000-0000-000000000000$ziD!qt?ҕ?kT?܀xd ?@]`?"F`? `?a`?ԃ8? N,| ?-?oS?iZ?a*?\?J??/:g9&8Oǃ:Qrz?z,"-" = 0.04;"+" = 0.96;8>=mI P]]@(@(@(@,p@(@(@(@(@(@(@/@@(@(@(@(@(@(@lf&lE ([ ?z?Rzz???z?R?z??z?z?R?z? =2"no" = 0.58;"yes" = 0.42;8quLx7ː :?ݝ>"-" = 0.0371353;"+" = 0.962865;8ys-`G"Pə ?R@?z?R?z?z?R?Rz?R?R??R?z?z6"low" = 0.82;"high" = 0.18;8#*W@ר 8?Y@?6?9;@?m??@?л??m@К:z?Xb?P? ?'ܠ?& ?>g?X?b jE"h ????CϬs}2F`? ? ? @$:@@$:@? @7xQpDxԘȂ@?33@,VBtu^QQ?0?.pQrWUUUUUUc@?=̓ hC۫I6:tS1-232 N{?x??r9@2???@AY]W(@vk,#>ANifô?l ??,?Ή?1?M ???Y`?~?f?>n?X`?éU?²&? V@=@? |\.B鰵KUH`D_S`?{#? ?z^ nW ȥ2?IM@|ܕ` #?s?ߜ}ęBFq-2CCCN1CCC2C1CCc3c(O)cccc23⾕v޴בKFңZq-@rl]+Su.hXJ9Ŭh8ޔb!(@N|hƁytݯ%ak-[Zŵ<BYh!ѥ'8iOSA$435f91ad-ce81-43c2-9af8-430c331616de38C12 -3.221692090C2 2.31066227 -2.271171810C3 3.28916812 -2.064953090N4 3.59983063 -1.114432810C5 3.01622152 -0.3097004590C6 3.59983063 0.4950318630C7 4.54605055 0.1902995410C8 4.54605055 -0.8097004890C9 5.41207552 -1.309700490 C10 6.27810097 -0.8097004890 C11 6.27810097 0.1902995260 C12 7.18810225 0.6971452830 O13 8.04828835 0.187164620 C14 7.19613218 1.738745210C15 6.29405355 2.259560590C16 5.3960166 1.731806520C17 5.41207552 0.6902995710H18 1.41067743 -3.029081340H19 1.80738938 -3.811014650H20 2.58932257 -3.414302830H21 2.29009676 -1.651512980H22 1.69684625 -2.183822150H23 3.30973339 -2.684612040H24 3.90298414 -2.152302980H25 2.55535221 0.1050275860H26 2.55535221 -0.7244285350H27 3.85086322 1.061938050H28 3.0624485 0.8042572140H29 4.48044252 0.8068184260H30 4.48044252 -1.426219340H31 5.01354694 -1.784647940H32 5.81060362 -1.784648060 H33 6.49015331 -1.39230990!H34 6.88868189 -0.7020385860"H35 8.58877277 0.4909351770#H36 7.73425865 2.04667330$H37 6.29166365 2.879555940%H38 4.85553217 2.03557706040            ! " !# "$ #%$&%'0H00000000-0000-0000-0000-000000000000$ziD!qt?ҽ@?ߔ?A?,W@? ?&?l?e ?D?k)?6 ?.\?ѕ@?(G?+@?d ?|?/:g9&8Oǃ:Qr?z,"-" = 0.03;"+" = 0.97;8>=mI P]]@(@(@(@,p@(@(@(@(@(@(@(@(@/@@(@(@(@(@lf&lE ([ zzz?z?R?zz?z?z."no" = 0.6;"yes" = 0.4;8quLx7ː :?ݝ>"-" = 0.0371353;"+" = 0.962865;8ys-`G"Pə ?R?z?RQ?R?z?z?z?zz?z?z?R6"low" = 0.83;"high" = 0.17;8#*W@ר 8?[`?m??%|@?Z ?h?n?`?F?S ] ?`Ԁ ?`? ?O`?`?c?b jE"h ????CϬs}2F`? ? ? ? @$:@@$:@@7xQpDxԘȂ@?33@,VBtu^Qp?C ?`0pp@p@ppPpppp@W?=̓ hC۫I6:tS1-142 N{?x??r9@2???@9@sBm[BANifôe@?9?(G?Þڀ?~@?ġ(?o=?)y? ?޿?Ǘ`?@@?-6 ??, ?}?ĝ3@@o ?_t`|\.B鰵KUH?< :f@aX FdS ~G`?n}?3>@?QX XwqP@?Ws?ߜ}ęBFq-4Oc1cccc2CCC3C(CCN3CC=C)c12⾑Ov޴יKVZq-rl#]X+S tjXʂ1Ŭj8ޜa@^|hƁ{">ݏ5P%a;-[Zŵ<!aѥ/xaOSA$070e3ad8-121f-4865-8cc5-dc9ff7e8b8a036O1 4.5242672 2.221758840C2 5.3960166 1.731806520C3 6.29405355 2.259560590C4 7.19613218 1.738745210C5 7.18810225 0.6971452830C6 6.27810097 0.1902995410C7 6.27810097 -0.8097004890C8 5.41207552 -1.309700490C9 4.54605055 -0.8097004890 C10 4.54605055 0.1902995410 C11 3.59983063 0.4950318340 C12 3.01622152 -0.3097004590 N13 3.59983063 -1.114432810 C14 3.28916812 -2.064953090C15 2.31066227 -2.271171810C162 -3.221692090C17 5.41207552 0.6902995110H18 4.51709795 2.841717480H19 6.29166365 2.879555940H20 7.73425865 2.046673060H21 7.72141743 0.3809572460H22 6.49015331 -1.39230990H23 6.88868189 -0.7020386460H24 5.01354694 -1.784647940H25 5.81060362 -1.784648060H26 4.48044252 -1.426219460H27 4.48044252 0.8068184850H28 3.85086322 1.061938050H29 3.0624485 0.8042572140H30 2.55535221 0.1050276230H31 2.55535221 -0.7244285350H32 3.30973363 -2.68461180 H33 3.90298414 -2.152302740!H34 1.89659917 -1.80970490"H35 1.39332628 -3.349547620#H36 2.41406298 -3.68315911038                  ! "!#"$#%0H00000000-0000-0000-0000-000000000000$ziD!qt/?/ ?; ?DD?ֆ?p??d?6@?? ?9????Z ?ؐ??/:g9&8Oǃ:Qr?z,"-" = 0.03;"+" = 0.97;8>=mI P]]@/@@(@(@(@(@(@(@(@(@(@(@(@,p@(@(@(@(@l2f&lE ([ ??zzz?zz?z??z?zzz?z2"no" = 0.59;"yes" = 0.41;8quLx7ː :?ݝ>"-" = 0.0371353;"+" = 0.962865;8ys-`G"Pə ?z?z?z??z?Q?z?z?z?zz?z?z??z6"low" = 0.74;"high" = 0.26;8#*W@ר 8Ӫ@Tk? ???_`?~R`}W@?w?}^`?}??]?y ?ř ?b?@? ?Ņ?b jE"h ????CϬs}2F`@$:@@$:@? ? ? ? @7xQpDxԘȂ@# =?33@,VBtu^Q}?¿????¿??¿?mp? ??f?Od?"?īT? @?=̓ hC۫I6:tS1-92 N{?x??r9@2???@60NLKXnANifô?K?l? ??Z@?&?|? ? ?h??įB`?܀?Ř?$2@?3?`?\ @?!d|\.B鰵KUH`??]~?{?a?`B`k趀@8ɚɚT0@?d?ߜ}ęBFq-8ClCCCN1CCC2C1CCc3cccc(Br)c23AvޔߑkFÒ#8q-Se#_#S.iPkU`ޔc!(W O\=hƁy:xZUak!Zǵ\jYȱ%'8mLOSA$386f7328-0ce4-409d-8ae4-f73ca13506cc37Cl1 1.02149415 -3.42791080C22 -3.221692090C3 2.31066227 -2.271171810C4 3.28916812 -2.064953090N5 3.59983039 -1.114432810C6 3.01622152 -0.3097004290C7 3.59983039 0.4950318340C8 4.54605055 0.1902995410C9 4.54605055 -0.8097004290 C105.412076 -1.309700490 C11 6.27810144 -0.8097004890 C12 6.27810144 0.1902994960 C13 7.18810225 0.6971452240 C14 7.19613218 1.738745090C15 6.29405355 2.259560590C16 5.3960166 1.731806520#Br17 4.52426767 2.221759080C185.412076 0.6902995710H19 2.02056551 -3.841351030H20 2.61381602 -3.309041740H21 2.29009676 -1.651512980H22 1.69684625 -2.183822150H23 3.30973363 -2.684612040H24 3.9029839 -2.152302740H25 2.55535197 0.1050276530H26 2.55535197 -0.7244284750H27 3.85086322 1.061938050H28 3.06244826 0.8042571540H29 4.48044252 0.8068184850H30 4.48044252 -1.426219340H31 5.0135479 -1.784647940H32 5.8106041 -1.784647940 H33 6.49015379 -1.39230990!H34 6.88868237 -0.7020386460"H35 7.7214179 0.3809572460#H36 7.73425913 2.04667330$H37 6.29166365 2.87955594039              ! " !# "$ #%$&0H00000000-0000-0000-0000-000000000000$ziD!qt?Y?ڂx?`?`?Qr?H? ? ~`??U?܀?|?~ ?`v@?>T@?.?ʢ`?a|@@ ,?/:g9&8Oǃ:QrzPPPzzzzzzzzzPPz,"-" = 0.07;"+" = 0.93;8>=mI P]]@A@(@(@(@,p@(@(@(@(@(@(@(@(@(@(@(@S @(@tf&lE ([ ?zz?z??z?R?z?z?z2"no" = 0.69;"yes" = 0.31;8quLx7ː :?ݝ?ݝ>"-" = 0.0371353;"+" = 0.962865;8ys-`G"Pə ?R?z@??z?zz?z?z?z?z?z?z?z?z6"low" = 0.71;"high" = 0.29;8#*W@ר 8?)?V??`?Ի?r?R?3?,?Ň`?]?r٠?<??@?@p?y??b jE"h ?????33@CϬs}2F`? ? ? ? @ pDxԘȂ@?33@,VBtu^Q@`?ws`@+@"Ā@d`d`d`d`d`?ld`@v7?=̓ hC۫I6:tS1-432 N{?xr9@2????@NN}H|Z^ANifô??C?Q?€?<@?B??9/`?N ? O?B"? ??ۈ??ŷ@?0?C@?!|\.B鰵KUH?\?x`N >N@`@@tXwå?[z`?4G@P `@@?@ ?ߜ}ęBFq-6COc1cccc2CC3C(CCN3CC=C)Cc12⾕Mvδ߁AFZs=plVxku٬&k^J7Ǯn(ޞ_a,H^}vA9?"}򝮝=S'cv-յ<[!-8aOSA$31b6426e-b962-49ff-8e91-3eafc5ca708239C1 8.89433289 0.5052869320O2 7.98510361 0.08899147060C3 7.16996622 0.6682594420C4 7.26397753 1.705639120C5 6.40798521 2.29916430C6 5.46943665 1.847366930C7 5.39943981 0.8080906270C8 4.49508476 0.3813092710C9 4.41251087 -0.6152756810 C10 5.23429155 -1.185079340 C11 4.94555521 -2.136302230 C12 3.95169902 -2.157361750 N13 3.62292814 -1.219223620 C14 2.66479206 -0.9329100250C15 1.93776953 -1.619523050C16 0.97963351 -1.33320940C17 6.1386466 -0.758297920C18 6.22122049 0.2382870470H19 8.63622952 1.069009070H20 9.4580555 0.7633900640H21 9.15243626 -0.05843529850H22 7.82569361 1.96808040H23 6.45679903 2.917239670H24 4.95588112 2.194730040H25 3.87769914 0.3244333270H26 4.33186483 0.9794389010H27 3.86848354 -0.3178964260H28 5.70355129 -1.590289470H29 5.5544672 -2.25303340H30 4.89346838 -2.754110340H31 4.02990961 -2.772408960H32 3.34827852 -2.29978180 H33 2.16728663 -0.5629258750!H34 2.94276428 -0.3787157830"H35 2.08105946 -2.222738030#H36 0.528879702 -1.758909230$H37 0.836343288 -0.7299948330%H38 6.75603199 -0.7014219760&H39 6.30186653 -1.35642755041                 ! " !#"$#%$&%'&(0H00000000-0000-0000-0000-000000000000$ziD!qt?w???A??#`?ӌ@:w?@?TC?? 4R?h?<? ??W@?`?@/:g9&8Oǃ:Qr?zz?z?z,"-" = 0.07;"+" = 0.93;8>=mI P]]@(@/@@(@(@(@(@(@(@(@(@(@(@,p@(@(@(@(@(@nk `f&lE ([ ?zz?z?z?z?zz?z?z2"no" = 0.61;"yes" = 0.39;8quLx7ː :?ݝ>"-" = 0.0371353;"+" = 0.962865;8ys-`G"Pə ?z?z?Q??zzz?Pz? =?Q?Q?P6"low" = 0.61;"high" = 0.39;8#*W@ר 8h?`??Y^ ?P?@?fj[0 Yh?~7n/?h ?  ?F.?fj?Y?b jE"h ??????33@CϬs}2F`@`@`@`? ? ? ? @(pDxԘȂ@?33@,VBtu^Qr?@dn:i@r?@W?y?@ ?=̓ hC۫I6:tS1-242 N{?xr9@2?????@ juB>@=r1 HANifô?nz?a?Z?z@?"?~[?h`??AC?@??2@?,?y??O?A4`?5 ?A4`?O?9g?@@@ۀ?ٙy@|\.B鰵KUH?|?NBF? Ho @`|?Ӡ?װi"5 S.b@.S9t ?繼?ߜ}ęBFq-@COc1cccc2CC3C(CCN3Cc4ccccc4)Cc12vFZ{=`}֏k٬{^K7(ޖ,؇6ǭA4y?"ڙ'kn/շ=mI P]]@(@/@@(@(@(@(@(@(@(@(@(@(@,p@(@(@(@(@(@(@(@(@(@rVx`f&lE ([ RR?R?z?z?R?z?z??z?R?z?zz?R?R?z?z?z?R?z?z2"no" = 0.52;"yes" = 0.48;8quLx7ː :?ݝ>"-" = 0.0371353;"+" = 0.962865;8ys-`G"Pə ?z???z?z??z?R?R?R?z?zz????z?z?z??R?z6"low" = 0.56;"high" = 0.44;8#*W@ר 8))?u}@?m?Px``sR`o;'[? ?<= ?p`Gr ?y@?U?y@Gr Lt?3 ?b jE"h ??????QCϬs}2F`@`@`@`? ? ? ? @(pDxԘȂ@?33@,VBtu^Q??u???0???X@@??S?@??z0????z0?X?@`?=̓ hC۫I6:tS1-222 N{?xr9@2?????@(G H6BANifô%\ ?O?»,?Ë ?¯ ?/??Ҡ?O`?@?r? 1 ?#?ۇ`? ?h?i?4@37?܂|\.B鰵KUH?u`.p ?ޠ3d QV¸8@7l vy`Ṡ`?uR ?u ?ՙN@3`] @?7@?ߜ}ęBFq->NC(=O)c1cccc2CCC3C(CCN3CCCF)c12OߑKĥ3q/dRlߏ'Svn?ݍo9md:ޖn1(C__-Dž k&>pRU%eo7[ZJQӽ'xi 'OSA$63a4f0f2-e948-47b8-9d80-934f3262b73541N1 4.51270437 3.221692090C2 4.52426767 2.221758840O3 3.66408134 1.71177840C4 5.3960166 1.731806520C5 6.29405355 2.259560590C6 7.19613218 1.738745090C7 7.18810225 0.6971452240C8 6.27810144 0.1902994810C9 6.27810144 -0.8097005490 C105.412076 -1.309700490 C11 4.54605055 -0.8097004890 C12 4.54605055 0.1902995260 C13 3.59983039 0.4950318630 C14 3.01622152 -0.3097004590N15 3.59983039 -1.114432690C16 3.28916812 -2.064953090C17 2.31066227 -2.271171570C182 -3.221692090 F19 1.02149415 -3.42791080C205.412076 0.6902995110H21 5.04601955 3.537880180H22 3.97221994 3.525462630H23 6.29166365 2.879555940H24 7.73425913 2.046673060H25 7.7214179 0.3809572160H26 6.49015379 -1.392310020H27 6.88868237 -0.7020387050H28 5.0135479 -1.784648060H29 5.8106041 -1.784648060H30 4.48044252 -1.426219340H31 4.48044252 0.8068184260H32 3.85086322 1.061938050 H33 3.06244826 0.8042572140!H34 2.55535197 0.1050276010"H35 2.55535197 -0.7244284750#H36 3.30973363 -2.684612040$H37 3.9029839 -2.152302740%H38 2.29009676 -1.651512860&H39 1.69684625 -2.183821920'H40 2.02056551 -3.841350790(H41 2.61381602 -3.30904198043                  ! " !# "$#%$&%'&(')(*0H00000000-0000-0000-0000-000000000000$ziD!qtÈ?@??ձN`?ԩq@?ߋ ??njĠ?7?`?r?_>`?dN|x@???Ԋ0?Sw`?1?>?/:g9&8Oǃ:QrPzzzzz?zzzz,"-" = 0.27;"+" = 0.73;8>=mI P]]@,p@(@/@@(@(@(@(@(@(@(@(@(@(@(@,p@(@(@(@2`@(@qEf&lE ([ ?zRzzzz?zz?z??z?z?zRz?zz?z2"no" = 0.59;"yes" = 0.41;8quLx7ː :?ݝ?ݝ>"-" = 0.0371353;"+" = 0.962865;8ys-`G"Pə zzz?R?z?z?z?z@?zzz6"low" = 0.76;"high" = 0.24;8#*W@ר 8@ͦ?M Gt^@ZVz:A uݠ@`R`o3] %`?z?+h ?c?т@և ?@?b jE"h ???????EрCϬs}2F`@*@5 @!? ? ? ? @G*=pDxԘȂ@ ?33@,VBtu^Q???p>WWWVDy?Dzs@1@?.?%@J`?=̓ hC۫I6:tS1-522 N{?x??r9@2??????@VH̭UANifô?5??с?S??V@?úр?C`? ?x? `?Ǐ??ϼR?@?݄ ?Ӷ??&S??@?&S??~@ ?֔|\.B鰵KUH? ?dciqJhWN!@ɞ`SS?s?TC`?Chy@DCl`:`:`:```?.v?ߜ}ęBFq-BCOc1cccc2CCC3C(CCN3CCc4ccccc4)c12⾕O~޴ߙKvңZs-@rn#]kt*kZʂ;Ǯl8ޖb!,HN}ǍhƁD{#>ݏ%c+-[Zս<חF!'8a OSA$3132a195-2a36-4285-8300-dbdfd4a641d148C1 4.5127039 3.221692320O2 4.5242672 2.221759080C3 5.39601612 1.731806640C4 6.29405355 2.259560590C5 7.19613171 1.738745090C6 7.18810177 0.6971452240C7 6.27810097 0.1902995410C8 6.27810097 -0.8097004890C9 5.41207552 -1.309700490 C10 4.54605007 -0.8097004890 C11 4.54605007 0.1902995560 C12 3.59983087 0.4950318630 C13 3.01622176 -0.3097004290 N14 3.59983087 -1.114432810C15 3.28916812 -2.064953090C16 2.31066251 -2.271171810C172 -3.221692090C18 2.66784382 -3.965993640C19 2.35718131 -4.91651440C20 1.37867534 -5.122733120C21 0.710831761 -4.378431320C22 1.02149403 -3.42791080C23 5.41207552 0.6902995710H24 5.1326623 3.228861570H25 4.50553465 3.841650720H26 3.89274573 3.214523080H27 6.29166412 2.879555940H28 7.73425865 2.04667330H29 7.72141743 0.3809572760H30 6.49015331 -1.39230990H31 6.88868141 -0.7020386460H32 5.01354742 -1.784648060 H33 5.81060362 -1.784648060!H34 4.48044205 -1.426219460"H35 4.48044205 0.8068185450#H36 3.8508637 1.061937930$H37 3.06244874 0.8042573330%H38 2.55535245 0.1050276090&H39 2.55535245 -0.7244285350'H40 3.30973363 -2.684612040(H41 3.9029839 -2.152302980)H422.290097 -1.65151310*H43 1.69684637 -2.183822150+H44 3.2745173 -3.83813810,H45 2.77124429 -5.377981660-H46 1.1860646 -5.712055680.H47 0.104158051 -4.506286620/H48 0.607430935 -2.96644378051              !" # !$ "% #& $' %( &)'*(+),*-+.,/-0.1/20H00000000-0000-0000-0000-000000000000$ziD!qt?VU?pv`?mE?ϼÀ?F`?"]?o?R?P ??^@?n?`}?Q?ޛ\?^D@?Ѷ@?_ ?л&`?_ ?Ѷ@?Ԟ@ ?/:g9&8Oǃ:Qrzzzzzzzzzz,"-" = 0.17;"+" = 0.83;8>=mI P]]@(@/@@(@(@(@(@(@(@(@(@(@(@(@,p@(@(@(@(@(@(@(@(@(@s6f&lE ([ ??z?(??z? =?(?z?Q?Q?z?Q???z??(?z????z?(2"no" = 0.42;"yes" = 0.58;8quLx7ː :?ݝ?ݝ>"-" = 0.0371353;"+" = 0.962865;8ys-`G"Pə ?z?z? =?z?z? =?z?zz?z?z? =? =?z?z?z? =?z6"low" = 0.53;"high" = 0.47;8#*W@ר 84?Q" ?@Y?ij 1n n ?i?@?HS?$?l ?xb?xb?xb?l ,?L?b jE"h ???????ñ; CϬs}2F`@`@`@`? ? ? ? @(pDxԘȂ@?33@,VBtu^Q`y ?3a$ra$?9@`?q?``mS`t?3a$rrra$?9@@L?=̓ hC۫I6:tS1-152 N{?xr9@2??????@QPOVͿ7q$ANifô?g?К?ܯ?+Z? ?oc`?`? ??m@?t?D?&?Ô`??A)@?6?[?v@ ?_|\.B鰵KUHq `*?ޥ?D@\`+@F[V܂ k@?'?}?I?ߜ}ęBFq-:CCCN1C(C)CC2C1CCc3cccc(OC)c23⾕Ov޴ߙKVңZq-@rn#_Xkt.kZʂ;l8ޖb!,HN|׭hƁd{">ݏ%sk-[Zյ<חF!'8i OSA$9e87dcb9-21cd-4dff-826e-ec4c17ae809b44C12 -3.221692090C2 2.31066227 -2.271171810C3 3.28916812 -2.064953090N4 3.59983063 -1.114432810C5 3.01622152 -0.3097004590C6 2.01622152 -0.3097004590C7 3.59983063 0.4950318340C8 4.54605055 0.1902995410C9 4.54605055 -0.8097004890 C10 5.41207552 -1.309700490 C11 6.27810097 -0.8097004890 C12 6.27810097 0.1902995410 C13 7.18810225 0.6971452830 C14 7.19613218 1.738745210C15 6.29405355 2.259560590C16 5.3960166 1.731806520O17 4.5242672 2.221759080C18 4.5127039 3.221692090C19 5.41207552 0.6902995110H20 1.41067743 -3.029081340H21 1.80738938 -3.811014650H22 2.58932257 -3.414302830H23 2.29009676 -1.651512980H24 1.69684625 -2.183822150H25 3.30973339 -2.684612040H26 3.90298414 -2.152302740H27 2.73450851 -0.8620026710H28 2.01622152 0.3102995460H29 1.39622152 -0.3097004590H30 2.01622152 -0.9297004340H31 3.85086322 1.061938050H32 3.0624485 0.8042572140 H33 4.48044252 0.8068184850!H34 4.48044252 -1.426219460"H35 5.01354694 -1.784647940#H36 5.81060362 -1.784648060$H37 6.49015331 -1.39230990%H38 6.88868189 -0.7020386460&H39 7.72141743 0.3809572460'H40 7.73425865 2.04667330(H41 6.29166365 2.879555940)H42 5.1326623 3.228861090*H43 4.50553465 3.841650720+H44 3.89274526 3.21452284046             ! "!# "$ #% $& %' &( ')(*)+*,+-0H00000000-0000-0000-0000-000000000000$ziD!qt?`?]?<`?2L?Dl? ?!?%`? ?@??sN?ԏJ ?ќ?`??Bj}?Տ|@l?/:g9&8Oǃ:Qrzzzzzzz,"-" = 0.22;"+" = 0.78;8>=mI P]]@(@(@(@,p@(@(@(@(@(@(@(@(@(@(@(@(@/@@(@(@p64f&lE ([ ?zzR?z?z?R?z?z?zz?zzzz?z2"no" = 0.58;"yes" = 0.42;8quLx7ː :?ݝ>"-" = 0.0371353;"+" = 0.962865;8ys-`G"Pə ?z?R?z@?z?z?z?zz?z?z?R?z??R?R?z6"low" = 0.68;"high" = 0.32;8#*W@ר 8?k?h?`?-5?| ? ?zWLm.`j?l@?r7`?=)`?ᡠ?D`?_ ?U@?L5?Z ?b jE"h ??????I$@?>`@`?حg`%L̀2|9?@"low" = 0.125;"medium" = 0.125;"high" = 0.1865;"very high" = 0.5625;8ۻ;C|NO??@9>CϬs}2F`? ? ? ? @`@`@`@(pDxԘȂ@"?33@,VBtu^Q????P????L???0??????`?0?@K@?=̓ hC۫I6:tS1-132 N{?xr9@2?????@0GHՍUANifô?Ɉ ?`: ?,??5?û ?R?1@?@?R??% ?)@?=?Lw? ?ñ?n?@u?ԟ|\.B鰵KUH~@?nk`? ??aـ`K7P@j ?¶{`? 3`ɖ(Ź?o@?ߜ}ęBFq-4CCCN1CCC2C1CCc3c(OC)cccc23⾕v޴ߑKFңZq-@rl]ku.kZJ;Ǭl8ޖb!,HN}ǭhƁy|ݯ'ck-[Z׵=mI P]]@(@(@(@,p@(@(@(@(@(@(@(@(@/@@(@(@(@(@(@n`f&lE ([ ?zzR?R?z?z?Q?zz?zz?z?z2"no" = 0.58;"yes" = 0.42;8quLx7ː :?ݝ>"-" = 0.0371353;"+" = 0.962865;8ys-`G"Pə ?R?z?R(z?z?z?zz?z?z?z6"low" = 0.76;"high" = 0.24;8#*W@ר 8?~?V?ʝ ?G?$@??u*?4A ?Q`??.b`?N^`wB?;`?-T? ?Wp?'a@?b jE"h ??????33@bX?@?vCGMo.c? ?`-] @@?)` cCH@3(?d?齆`?k?Ϡ?M?ɪs?$ ?0Y&a ?f@?'@?9??͆L?͆L?͆L?_@ ?حg`%L̀2|9?/"low" = 0.0416667;"medium" = 0.541667;"high" = 0.166667;"very high" = 0.25;8ۻ;C|NO??@9>CϬs}2F`? ? ? ? @`@`@`@(pDxԘȂ@?33@,VBtu^Q?@?F?50rgn9?@A ??@)?@?@?Hn9?@?@?@?@@8?=̓ hC۫I6:tS1-102 N{?xr9@2?????@?E~FS1-ANifô?Ey@?T?éj?°=?S?}T ?Z?à`?=?ۀ?E?ʹ?"݀?*`?s?_@q@?Z@|\.B鰵KUH?< $n`t =mI P]]@/@@(@(@(@(@(@(@(@(@,p@(@(@(@(@(@(@(@l2f&lE ([ ??zzz?zzz?z??zz?z2"no" = 0.59;"yes" = 0.41;8quLx7ː :?ݝ>"-" = 0.0371353;"+" = 0.962865;8ys-`G"Pə ?z?z?z??z?z?zz?z?z??z?z?Q?z6"low" = 0.74;"high" = 0.26;8#*W@ר 8Ӫ@Ps? ??? ?}??]?y ?ř ?b?@?}^`?w}W@?~R`?Ņ?b jE"h ????CϬs}2F`@$:@@$:@? ? ? ? @7xQpDxԘȂ@`?33@,VBtu^Q}?¿???? ? ??f?Od?"?īT?mp?¿??¿@?=̓ hC۫I6:tS1-72 N{?x??r9@2???@ۗTJߖ16ANifô?R?M ? | ?̺?ߠ??1?Lj?YD?8o @u@ow?T?ߜ}ęBFq-4CCCN1CCC2Cc3c(OC)cccc3CC21⾕Mvδ߁AFҡ[s=@phVxku٬&k^J?Ǯl(_v!,H^}6ǭ9?"}ҝ'cf-յ=mI P]]@(@(@(@,p@(@(@(@(@(@(@/@@(@(@(@(@(@(@(@n`f&lE ([ ?R?Rz?z??z?z?z?z?z?z?z?2"no" = 0.56;"yes" = 0.44;8quLx7ː :?ݝ>"-" = 0.0371353;"+" = 0.962865;8ys-`G"Pə ?R?(? =?z?z??R?R??z?z?z?z??R?z?z6"low" = 0.65;"high" = 0.35;8#*W@ר 8?M ??G?bv?Ko ?JP?v;h?}@?~?c?n?H???~?o`rx`?ۢ@?b jE"h ??????33@CϬs}2F`? ? ? @`@`@`? @(pDxԘȂ@?33@,VBtu^QB?rgn9B*??`n9*pq@`?=̓ hC۫I6:tS1-172 N{?xr9@2?????@B,@C6,ANifô?? ??o`?Ñe?s ?D?@?'6`?v ??̰ ?ۈa?z? ?@?@@?87 @2?U@|\.B鰵KUH?WY`?,[Tπ|=@+ k?m`?9ӲՀ ߠ: IC?]@?ߜ}ęBFq-6COc1cccc2CC3CCN(CC=C)C3Cc12⺕ vδWAVZs=pn#Vxk t&k^ʂ7Ǯn,ޞ[a,H^|v筸AT+>=R%sv-׵퓪1-xaOSA$f1f6519d-cda0-481e-8bf7-b2402d74da8e39C1 4.63816929 3.371465920O2 4.58507919 2.372876170C3 5.42333794 1.827603820C4 6.35360765 2.296210770C5 7.22013807 1.71817970C6 7.14480257 0.6792768240C7 6.20394468 0.2323075530C8 6.13931131 -0.7656015160C9 5.24277973 -1.208581690 C10 4.97120094 -2.164844510 C11 3.97788429 -2.203778510 N12 3.63229084 -1.27170610 C13 2.66915965 -1.002673980 C14 1.9546057 -1.702253820C15 0.991474569 -1.433221820C164.410882 -0.6536526680C17 4.47551584 0.3442564310C18 5.37204695 0.7872365710H19 4.01904345 3.404381750H20 4.67108536 3.990591530H21 5.25729465 3.338549850H22 6.39129591 2.915064330H23 7.77704239 1.990682720H24 7.65656614 0.3292797210H25 6.75557375 -0.6976290940H26 6.31326437 -1.360698340H27 5.71925259 -1.605285050H28 5.58211422 -2.270603660H29 4.93023586 -2.78348970H30 4.06714582 -2.817319150H31 3.37712336 -2.357029910H32 2.16507936 -0.6416989560 H33 2.93711805 -0.4435692430!H34 2.10872316 -2.302793740"H35 0.548451245 -1.866961240#H36 0.837356746 -0.8326823710$H37 3.86159348 -0.3661075830%H38 3.85925293 0.2762840090&H39 4.30156279 0.939353228041              ! " !#"$#%$&%'&(0H00000000-0000-0000-0000-000000000000$ziD!qt?> ?@? ?(K??@?o@??{@?c? i?_ ?`?D?plc?n@?`?@/:g9&8Oǃ:Qr?z?z?z?z,"-" = 0.06;"+" = 0.94;8>=mI P]]@(@/@@(@(@(@(@(@(@(@(@(@,p@(@(@(@(@(@(@nk `f&lE ([ ?zz?z?z?zz?z?z?z."no" = 0.6;"yes" = 0.4;8quLx7ː :?ݝ>"-" = 0.0371353;"+" = 0.962865;8ys-`G"Pə ?z?z?R?R??z?Rz@? =?R?Rzz2"low" = 0.6;"high" = 0.4;8#*W@ר 8h?`??i`?\E?@2?F.Yh?~7n/?h ?   [0?;3?Y?b jE"h ??????33@CϬs}2F`@`@`@`? ? ? ? @(pDxԘȂ@ ?33@,VBtu^Qr?@dnx2@r?@W?y?:@ ?=̓ hC۫I6:tS1-192 N{?xr9@2?????@6IΘP먦&ANifô2?"?]`? ?#?!@?J?w?e??P?q?:?@??K?ŋ9`@iG ?o|\.B鰵KUH?Jº`25n 6\ ,@~@?Գ릀=@}Ľ߹?u`?ߜ}ęBFq-4Oc1cccc2CC3C(CCN3CC=C)Cc12⾕MvδׁAFZs=plVx+uY&j\J5Ůn(ޜWa(@^|tA97"u=S%cv-ŵ<)Y!ѥ-8a(OSA$05e23ac7-8790-4f9d-85e6-8e4c928f63b436O1 7.98510361 0.08899141850C2 7.16996622 0.6682595010C3 7.26397753 1.705639120C4 6.40798521 2.29916430C5 5.46943665 1.847366930C6 5.39943981 0.8080906270C7 4.49508476 0.3813092710C8 4.41251087 -0.6152756810C9 5.23429155 -1.185079340 C10 4.94555521 -2.136302230 C11 3.95169902 -2.157361750 N12 3.62292814 -1.219223620 C13 2.66479206 -0.9329100250 C14 1.93776953 -1.619523050C15 0.97963357 -1.333209510C16 6.1386466 -0.758297920C17 6.22122049 0.2382870170H18 8.54882526 0.3470946550H19 7.82569361 1.96808040H20 6.45679903 2.917239670H21 4.95588112 2.194730040H22 3.87769914 0.3244332970H23 4.33186483 0.9794388410H24 3.86848354 -0.3178963960H25 5.70355129 -1.590289470H26 5.5544672 -2.253033640H27 4.89346838 -2.754110340H28 4.02990961 -2.772408960H29 3.34827852 -2.29978180H30 2.16728663 -0.5629258750H31 2.94276428 -0.3787157540H32 2.08105946 -2.222738030 H33 0.528879762 -1.758909580!H34 0.836343348 -0.7299948930"H35 6.75603199 -0.7014219760#H36 6.30186653 -1.35642755038                 ! "!#"$#%0H00000000-0000-0000-0000-000000000000$ziD!qtʀ?&?i`?՞W`?<`?#?? ?w`?l ?G ?[J?S ?@?$?=?S??@/:g9&8Oǃ:Qr?zz,"-" = 0.04;"+" = 0.96;8>=mI P]]@/@@(@(@(@(@(@(@(@(@(@(@,p@(@(@(@(@(@l2f&lE ([ ??z?Q?z?z?z?P2"no" = 0.61;"yes" = 0.39;8quLx7ː :?ݝ>"-" = 0.0371353;"+" = 0.962865;8ys-`G"Pə zzz?z?zzRRzRz33@?z?R?zz6"low" = 0.75;"high" = 0.25;8#*W@ר 8oT@?9?_| ?h ?'`? ?~??r?c5 ?hy?ƕ?W ?m`?xH?E`?A5?b jE"h ????CϬs}2F`@$:@@$:@? ? ? ? @7xQpDxԘȂ@Q?33@,VBtu^Q@??????(?mp??d?f?҈????@ԟ@?=̓ hC۫I6:tS1-252 N{?x??r9@2???@8K7F jANifô?R?M ? | ?̺?ߠ??1?Lj?YD?8o @u@ow?T?ߜ}ęBFq-4CCCN1CCC2Cc3c(OC)cccc3CC21⾕Mvδ߁AFҡ[s=@phVxku٬&k^J?Ǯl(_v!,H^}6ǭ9?"}ҝ'cf-յ=mI P]]@(@(@(@,p@(@(@(@(@(@(@/@@(@(@(@(@(@(@(@n`f&lE ([ ?R?Rz?z??z?z?z?z?z?z?z?2"no" = 0.56;"yes" = 0.44;8quLx7ː :?ݝ>"-" = 0.0371353;"+" = 0.962865;8ys-`G"Pə ?R?(? =?z?z??R?R??z?z?z?z??R?z?z6"low" = 0.65;"high" = 0.35;8#*W@ר 8?M ??G?bv?Ko ?JP?v;h?}@?~?c?n?H???~?o`rx`?ۢ@?b jE"h ??????33@CϬs}2F`? ? ? @`@`@`? @(pDxԘȂ@33@?33@,VBtu^QB?rgn9B*??`n9*pq@`?=̓ hC۫I6:tS1-162 N{?xr9@2?????@?*3H](mANifô˄N?C ?²2 ?Á?¥`?*?x`?C??IN?O??} ?@?hX?[?, @ ?o|\.B鰵KUH? ?ǃe`@ ¥`gv  #>~?5``4%`D'V?~{?ߜ}ęBFq->NC(=O)c1cccc2CCC3C(CCN3CC=C)c12OבKĥ3q/Rlߏ#SvN?Yo1mf:ޞqC_]捨ƅk&>prݏ5e?'[ZQiӽ/З8aOSA$cf859453-5a0e-482b-8886-4a9bfc8dedd639N1 4.5127039 3.221692090C2 4.5242672 2.221758840O3 3.66408134 1.711778280C4 5.3960166 1.731806520C5 6.29405355 2.259560590C6 7.19613218 1.738745090C7 7.18810225 0.6971452830C8 6.27810097 0.1902995260C9 6.27810097 -0.8097004890 C10 5.41207552 -1.309700490 C11 4.54605055 -0.8097004890 C12 4.54605055 0.1902994960 C13 3.59983063 0.4950318040 C14 3.01622152 -0.3097005190N15 3.59983063 -1.114432810C16 3.28916812 -2.064953090C17 2.31066227 -2.271171810C182 -3.221692320C19 5.41207552 0.6902995110H20 5.04601908 3.537880180H21 3.97221947 3.525462630H22 6.29166365 2.879555940H23 7.73425865 2.04667330H24 7.72141743 0.3809572460H25 6.49015331 -1.392310020H26 6.88868189 -0.7020386460H27 5.01354694 -1.784647940H28 5.81060362 -1.784648060H29 4.48044252 -1.426219460H30 4.48044252 0.8068184260H31 3.85086322 1.061937930H32 3.0624485 0.8042572140 H33 2.55535221 0.1050275560!H34 2.55535221 -0.7244285940"H35 3.30973339 -2.684612040#H36 3.90298414 -2.152302740$H37 1.89659917 -1.809704780%H38 1.39332628 -3.34954810&H39 2.41406298 -3.68315935041                   ! " !#"$#%$&%'&(0H00000000-0000-0000-0000-000000000000$ziD!qt+Р?SB ϭ-?ئ ?դ?Ԅ ?M ?@?' ?Ң?|??: ?d@f???~?Q??/:g9&8Oǃ:QrzzP?z,"-" = 0.25;"+" = 0.75;8>=mI P]]@,p@(@/@@(@(@(@(@(@(@(@(@(@(@(@,p@(@(@(@(@pf&lE ([ ?zzzzz?zz?z?R?z?zz?zzz?z?z2"no" = 0.59;"yes" = 0.41;8quLx7ː :?ݝ>"-" = 0.0371353;"+" = 0.962865;8ys-`G"Pə z?zzzzRzzRRz?z?R?z6"low" = 0.75;"high" = 0.25;8#*W@ר 8Ԭ@b~` UqH`M]`w`vt\ 2z -pk m ?s? ?U w ?Y`?b jE"h ??????I$CϬs}2F`@*@5 @!? ? ? ? @G*=pDxԘȂ@!?33@,VBtu^QAD@dPdP0dPdP2#@dP@ @?=̓ hC۫I6:tS1-472 N{?x??r9@2?????@&6E AANifô??+,?֥?$?a@? ??N?;?r?t?@?4?^?N?`ƀ??@@o?ժ|\.B鰵KUH?W?)*?x?n ?@?g??v=#n] ڀڀyzDf?(@?ߜ}ęBFq-6COCCN1CCC2C1CCc3cccc(Br)c23]tߙkT#qmӤe_#[= hT[Ehޔc!WO](΃Gy>>pZU9Zǵ\9jqȱaѭ738mOSA$f5610cb0-591f-4d59-84b3-6cfc0b002c1b38C1 1.02149415 -3.42791080O22 -3.221692090C3 2.31066227 -2.271171810C4 3.28916812 -2.064953090N5 3.59983039 -1.114432690C6 3.01622152 -0.30970040C7 3.59983039 0.4950318340C8 4.54605055 0.1902995560C9 4.54605055 -0.8097004290 C105.412076 -1.309700490 C11 6.27810144 -0.8097004890 C12 6.27810144 0.1902994960 C13 7.18810225 0.6971452240 C14 7.19613218 1.738745090C15 6.29405355 2.259560590C16 5.3960166 1.731806520#Br17 4.52426767 2.221759080C185.412076 0.6902995710H19 0.893638492 -2.821237090H20 0.414820403 -3.555766340H21 1.14934969 -4.034584520H22 2.29009676 -1.651512980H23 1.69684625 -2.183822150H24 3.30973363 -2.684612040H25 3.9029839 -2.152302740H26 2.55535197 0.1050276530H27 2.55535197 -0.7244284150H28 3.85086322 1.061938050H29 3.06244826 0.8042571540H30 4.48044252 0.8068184850H31 4.48044252 -1.426219340H32 5.0135479 -1.784647940 H33 5.8106041 -1.784647940!H34 6.49015379 -1.39230990"H35 6.88868237 -0.7020386460#H36 7.7214179 0.3809572460$H37 7.73425913 2.04667330%H38 6.29166365 2.87955594040             ! " !# "$ #% $&%'0H00000000-0000-0000-0000-000000000000$ziD!qt`?ȥ??"?/~@??|`?w?}@?^ ??4?%`?к?ޖ ?q`?[@?(?|?/:g9&8Oǃ:QrRz?z,"-" = 0.12;"+" = 0.88;8>=mI P]]@(@/@@(@(@,p@(@(@(@(@(@(@(@(@(@(@(@S @(@scf&lE ([ zzRR?zz?z?z?z?zzzzz?z?z2"no" = 0.68;"yes" = 0.32;8quLx7ː :?ݝ?ݝ>"-" = 0.0371353;"+" = 0.962865;8ys-`G"Pə ?z?R?R =zz?zz?z?R?z?R?R?z?z6"low" = 0.75;"high" = 0.25;8#*W@ר 8'#?]?|?=+`? b ?? ?Y?_ {???.?@??wj`???b jE"h ?????33@?@ ;J ?حg`%L̀2|9?/?/"low" = 0.0416667;"medium" = 0.541667;"high" = 0.166667;"very high" = 0.25;8ۻ;C|NO??@9>CϬs}2F`@`@`@`? ? ? ? @(pDxԘȂ@ =?33@,VBtu^Q?c?j???p?c? }?_? `?c???c@a'@?=̓ hC۫I6:tS1-412 N{?xr9@2????@ңDIfJi>ANifô?q?=`?U?ۃu ?`?Ē@?w`?M ?+`?/?2?Ĺ'? ^?} ?$-???䰠@`?~|\.B鰵KUHJd M߀D??q?|]cxiC@ce`Iy@Iy@ e@E@?6 ?ߜ}ęBFq-6CCCCN1CCC2C1CCc3cccc(Br)c23AvޔߑkD˒#q-Se#_#s.hPK9`ޔc!(W O\=8Ɓy:>xZ]ak!Zǵ\jQȱ%'8mOSA$e37bf2cc-06f1-473e-81ab-0a643e68cf6a40C1 1.02149415 -3.42791080C22 -3.221692090C3 2.31066227 -2.271171810C4 3.28916812 -2.064953090N5 3.59983039 -1.114432810C6 3.01622152 -0.3097004290C7 3.59983039 0.4950318340C8 4.54605055 0.1902995410C9 4.54605055 -0.8097004290 C105.412076 -1.309700490 C11 6.27810144 -0.8097004890 C12 6.27810144 0.1902994960 C13 7.18810225 0.6971452240 C14 7.19613218 1.738745090C15 6.29405355 2.259560590C16 5.3960166 1.731806520#Br17 4.52426767 2.221759080C185.412076 0.6902995710H19 0.893638492 -2.821237090H20 0.414820403 -3.555766340H21 1.14934969 -4.034584520H22 2.02056551 -3.841351030H23 2.61381602 -3.309041740H24 2.29009676 -1.651512980H25 1.69684625 -2.183822150H26 3.30973363 -2.684612040H27 3.9029839 -2.152302740H28 2.55535197 0.1050276530H29 2.55535197 -0.7244284750H30 3.85086322 1.061938050H31 3.06244826 0.8042571540H32 4.48044252 0.8068184850 H33 4.48044252 -1.426219340!H34 5.0135479 -1.784647940"H35 5.8106041 -1.784647940#H36 6.49015379 -1.39230990$H37 6.88868237 -0.7020386460%H38 7.7214179 0.3809572460&H39 7.73425913 2.04667330'H40 6.29166365 2.87955594042             ! " !# "$ #% $& %' &(')0H00000000-0000-0000-0000-000000000000$ziD!qt?Ѩz?W2?Q?.?3{?h`?G? +`?D?p2?'À?7 ?? ?ο`?EN?, ?w@?/:g9&8Oǃ:QrPPPz?zzz,"-" = 0.07;"+" = 0.93;8>=mI P]]@(@(@(@(@,p@(@(@(@(@(@(@(@(@(@(@(@S @(@sD @f&lE ([ ?z?z녀z?z?z?z?zz?z?z?z?z?R?z?z2"no" = 0.71;"yes" = 0.29;8quLx7ː :?ݝ?ݝ>"-" = 0.0371353;"+" = 0.962865;8ys-`G"Pə ?z?R??z?z?R?z?z?R?R?z?z?z?z?z?z?z6"low" = 0.68;"high" = 0.32;8#*W@ר 8?OC ?)b?I?:?J?aˠ?@??l?)?,??x ?$?`?`?`?@??b jE"h ?????33@CϬs}2F`? ? ? ? @ pDxԘȂ@ff`?33@,VBtu^Q$P6b6$P$P$Ph$Ph$P$P$P$P$P?h$P@@?=̓ hC۫I6:tS1-382 N{?xr9@2????@W8uF2QANifô??Я?@? ?X@? ?'?P?(??j`?{`?ڜ?ҊN?}@?o@?O?B?xy@?@|\.B鰵KUHH`So?ܻ ?;@)w@5O Š??d? I @??ߜ}ęBFq-:CCCN1C(C)CC2Cc3cccc(OC)c3CC21⺕OvδיAVҡ[s=@rj#Vxktٽ&k^ʂ?Ǯn,[v!,HN|ǭT+>ҝ%sf-׵חF퓪1'8i OSA$525ffd2f-aaad-4d7e-b418-4e9fd1ca8aee44C1 8.07810974 1.973326440C2 7.76744747 1.022806170C3 6.78894186 0.8165874480N4 6.47827959 -0.1339329030C5 7.06188869 -0.9386652110C6 8.06188869 -0.9386652110C7 6.47827959 -1.743397470C8 5.53205967 -1.438665270C9 4.66603422 -1.938665270 C10 3.80000877 -1.438665270 C11 2.90606689 -1.973326440 C122 -1.459480640 C132 -0.4178498090 C14 2.90606689 0.09599605950O15 2.9176302 1.095929150C16 2.05744433 1.605909820C17 3.80000877 -0.4386652110C18 4.66603422 0.06133477760C19 5.53205967 -0.4386652110H20 8.66743279 1.780715820H21 8.27072048 2.562649010H22 7.48878717 2.165937190H23 7.78801298 0.403147340H24 8.38126373 0.9354565140H25 6.76837635 1.436246280H26 6.17512608 0.9039370420H27 7.3436017 -0.3863630H28 8.06188869 -1.558665160H29 8.68188858 -0.9386652110H30 8.06188869 -0.3186652060H31 6.22724676 -2.310303690H32 7.01566172 -2.05262280 H33 5.59766769 -2.055184130!H34 4.26750612 -2.413612840"H35 5.06456232 -2.413612840#H36 2.91323614 -2.593285080$H37 1.4642632 -1.771548030%H38 1.46426308 -0.1057824860&H39 2.37363243 2.139225010'H40 1.52412915 1.92209780(H41 1.74125636 1.072594640)H42 5.06456232 0.5362823610*H43 4.26750612 0.5362823610+H44 5.59766769 0.177853733046              ! "!#"$ #% $& %'&(')(*)+*,+-0H00000000-0000-0000-0000-000000000000$ziD!qt?홠?\@?'c`?8̀???V??}?վ^?`??@?i\@?Ӧ0Ǡ?@?/:g9&8Oǃ:QrPPz =zzzzPPzzz,"-" = 0.21;"+" = 0.79;8>=mI P]]@(@(@(@,p@(@(@(@(@(@(@(@(@(@(@/@@(@(@(@(@p64f&lE ([ zzz?z?Rz?z??z?zzzz?zz?z?z?z2"no" = 0.55;"yes" = 0.45;8quLx7ː :?ݝ>"-" = 0.0371353;"+" = 0.962865;8ys-`G"Pə ?z?R?z?zz?zz?z?z?R?z?zzz6"low" = 0.65;"high" = 0.35;8#*W@ר 8??!?l`?`3`?7`?Zk;p7@kj?pb ??l?s ?p`u@fk`mڑG ?(?b jE"h ??????I$CϬs}2F`? ? ? @`@`@`? @(pDxԘȂ@ @?33@,VBtu^Q?@??P???@???\??@?@?@?h??@??\?@j ?=̓ hC۫I6:tS1-182 N{?xr9@2?????@J*ok@ׅ\햐xANifô?`?m@?[$?m?:@? ?<?~??G`?ހ?ÚU?8?p?#pRe/'[ZJQiӽ'8aOSA$72534f24-5555-40e3-8fe1-57ddfeb7f03338C1 2.31066227 -2.271171810C2 3.28916812 -2.064953090N3 3.59983039 -1.114432810C4 3.01622152 -0.3097004590C5 3.59983039 0.4950318340C6 4.54605007 0.1902995260C7 4.54605007 -0.8097004890C8 5.41207552 -1.309700490C9 6.27810097 -0.8097004890 C10 6.27810097 0.1902995410 C11 7.18810225 0.6971452830 C12 7.19613218 1.738745210 C13 6.29405355 2.259560590 C14 5.3960166 1.731806640C15 4.5242672 2.221759080O16 3.66408134 1.71177840N17 4.5127039 3.221692090C18 5.41207552 0.6902995110H19 2.18280673 -1.664498090H20 1.70398879 -2.399027350H21 2.43851781 -2.877845530H22 3.30973363 -2.684612040H23 3.90298414 -2.152302740H24 2.55535197 0.1050275860H25 2.55535197 -0.7244284150H26 3.85086298 1.061937930H27 3.06244802 0.8042571540H28 4.48044205 0.8068184850H29 4.48044205 -1.426219460H30 5.01354742 -1.784647940H31 5.81060362 -1.784647940H32 6.49015331 -1.39230990 H33 6.88868189 -0.7020386460!H34 7.72141743 0.3809572460"H35 7.73425865 2.04667330#H36 6.29166365 2.879555940$H37 5.04601908 3.537880180%H38 3.97221947 3.52546263040              ! " !# "$ #%$&%'0H00000000-0000-0000-0000-000000000000$ziD!qt??ЀR@??q?| ?צ??#3?ԅ ?+`?a?:?d@?Q@ρ܀?$@?m_`?/:g9&8Oǃ:Qr?zzz,"-" = 0.25;"+" = 0.75;8>=mI P]]@(@(@,p@(@(@(@(@(@(@(@(@(@(@(@(@/@@,p@(@nf&lE ([ ?zzzz?z?z??z?z?zz?Q?z2"no" = 0.58;"yes" = 0.42;8quLx7ː :>"-" = 0.0371353;"+" = 0.962865;8ys-`G"Pə ?zzzz?z?z?zzz?z?z?z?z6"low" = 0.82;"high" = 0.18;8#*W@ר 8?D?uEЀbv@^ zi  x쳠S;@s3fao?ї@I\@o?b jE"h ?????CϬs}2F`? ? ? ? @5 @!@*@G*=pDxԘȂ@\ ?33@,VBtu^Q` X` &`r`M?`@ @?=̓ hC۫I6:tS1-462 N{?x??r9@2????@#H$gz*9ANifô? ?ò?Ӵ@?ܮ?6%?ß_?v ?p̠?t ??9`?ġ?o@?ñU@?C?ę?,?øH@?I@(?ٛ۠|\.B鰵KUHV u ?{S?U?{V@̀̀ ѯ`??ߜ}ęBFq->CC(=CCN1CCC2C1CCc3cccc(Br)c23)CQvޔߓkF#q-Sm#_'SjPO5bޜaW_\(Ɓ'y;>pzݏuTa;!:Zǵ\Qȹa%8m +OSA$366afad2-7b15-4fd7-83dc-65a35b4af49541C1 2.66784358 -3.965993880C22 -3.221692090C3 2.31066227 -2.271171810C4 3.28916812 -2.064953090N5 3.59983039 -1.114432690C6 3.01622152 -0.30970040C7 3.59983039 0.4950319230C8 4.54605055 0.1902995560C9 4.54605055 -0.8097004890 C105.412076 -1.309700490 C11 6.27810144 -0.8097005490 C12 6.27810144 0.1902994960 C13 7.18810225 0.6971451640 C14 7.19613218 1.738745210C15 6.29405355 2.259560590C16 5.3960166 1.731806520#Br17 4.52426767 2.221759080C185.412076 0.6902995110C19 1.02149415 -3.42791080H20 2.20637655 -4.380056860H21 3.08190656 -4.427460670H22 3.12931037 -3.55193090H23 1.89659929 -1.809704780H24 3.30973363 -2.684612040H25 3.9029839 -2.152302740H26 2.55535197 0.1050276680H27 2.55535197 -0.7244284150H28 3.85086322 1.061938170H29 3.06244826 0.8042572740H30 4.48044252 0.8068185450H31 4.48044252 -1.426219460H32 5.0135479 -1.784648060 H33 5.8106041 -1.784648060!H34 6.49015379 -1.392310020"H35 6.88868237 -0.7020387050#H36 7.7214179 0.3809571860$H37 7.73425913 2.04667330%H38 6.29166365 2.879555940&H39 0.893638492 -2.821237090'H40 0.414820373 -3.555766340(H41 1.14934957 -4.03458452043             ! " !# "$ #% $&%'&(')(*0H00000000-0000-0000-0000-000000000000$ziD!qt??s`?ӥ??@?y?ه?P ?:?T?O`?B ?ո]?v?)??ș@?˹G?nL?@S ?@/:g9&8Oǃ:Qrzz?zz,"-" = 0.06;"+" = 0.94;8>=mI P]]@(@(@(@(@,p@(@(@(@(@(@(@(@(@(@(@(@S @(@(@tLf&lE ([ zPz?z?zzPzzzzP?zz2"no" = 0.64;"yes" = 0.36;8quLx7ː :?ݝ>"-" = 0.0371353;"+" = 0.962865;8ys-`G"Pə ? =?(?Q?z?넀?넀?z?Q?넀?Q??Q?넀?Q?Q?Q?? =6"low" = 0.47;"high" = 0.53;8#*W@ר 8?sE` E@?i ?I?N ۀD:w[z.?T,?v?g2?l?y S@?D?b jE"h ????a CϬs}2F`? ? ? ? @ pDxԘȂ@Q?33@,VBtu^Q?6@?pqnt?[?6@c;?r?6@c;?[?[?[?[?[??[?6@@?=̓ hC۫I6:tS1-442 N{?xr9@2???@yJ,Eg"*ANifô)iV`?ʀ@?) ?× ?½`?'`?Ɠ`?`?u)`?k8?v`?`?K?`?ƣI`?Ϡ?9 @@?8R|\.B鰵KUH?fp`?qoIgu}x UM@d?tk">?U@eƠ-a?s?ߜ}ęBFq->NC(=O)c1cccc2CCC3C(CCN3CC#C)c12OKĥ3s/`Rl߯#[vJ?Yo1ml:ޖn5C_] ƅ k&>pR/u/'Z?JQiӽ'ȗ8ROSA$9f171c39-fd58-40cb-af9e-a01d44200a7137N1 4.51270437 3.221692090C2 4.52426767 2.221759080O3 3.66408134 1.711778280C4 5.3960166 1.731806520C5 6.29405355 2.259560590C6 7.19613266 1.738745090C7 7.18810272 0.6971452240C8 6.27810144 0.1902994960C9 6.27810144 -0.8097004290 C105.412076 -1.309700490 C11 4.54605055 -0.8097004290 C12 4.54605055 0.1902994960 C13 3.59983039 0.4950318040 C14 3.01622128 -0.3097004890N15 3.59983039 -1.114432810C16 3.28916812 -2.064953090C17 2.31066227 -2.271171810C18 1.33215642 -2.477390530C195.412076 0.6902995110H20 5.04601955 3.537880180H21 3.97221971 3.525462630H22 6.29166365 2.879555940H23 7.73425961 2.04667330H24 7.72141838 0.3809572160H25 6.49015379 -1.39230990H26 6.88868237 -0.7020385860H27 5.0135479 -1.784647940H28 5.8106041 -1.784647940H29 4.48044252 -1.426219460H30 4.48044252 0.8068184260H31 3.85086322 1.061937930H32 3.06244826 0.8042572140 H33 2.55535197 0.1050275710!H34 2.55535197 -0.7244285940"H35 3.30973363 -2.684612040#H36 3.9029839 -2.152302740$H37 0.725482702 -2.60524631039                   ! " !#"$#%$&0H00000000-0000-0000-0000-000000000000$ziD!qt@?O? ?Ւ ?{?Ɯ? ?`??̓ ??*??|2?1?Հ??#`??/:g9&8Oǃ:QrPzz?z,"-" = 0.27;"+" = 0.73;8>=mI P]]@,p@(@/@@(@(@(@(@(@(@(@(@(@(@(@,p@(@(@(@(@oʁ@f&lE ([ ?녀Pzzzz?zz?z?R?z?zzzP?z2"no" = 0.64;"yes" = 0.36;8quLx7ː :?ݝ>"-" = 0.0371353;"+" = 0.962865;8ys-`G"Pə ?z?R?Rzzzzzzz?z?R?z6"low" = 0.77;"high" = 0.23;8#*W@ר 8Ҕ-`K`?`!`sTTnCx{8 MG ;=YJ@? ?GǠ?Q` р֫?b jE"h ??????I$CϬs}2F`@*@5 @!? ? ? ? @G*=pDxԘȂ@G ?33@,VBtu^Q?@?qz```z) zzzz@ ?=̓ hC۫I6:tS1-562 N{?x??r9@2?????@#DDRG(9WM1ANifô?~@?B=?l?d`?T?? ?L? ?w`?@?'?œ@?x?¨L?̯`)m``?`@H0 ?2|\.B鰵KUH@M ?n?tnw,@x͠8I_Ǡˠ8 ŸH?T`?OƠ??ߜ}ęBFq->CCCCN1CCC2C1CCc3cccc(C(=O)N)c23OבKĥ3q/`Rlߏ#svn?Yo9md:ޖn1(C_]-ƅk&>pR%eo'[ZJQӽ'8i OSA$e41288de-f729-4081-b933-5fba33c34e8044C1 1.02149415 -3.42791080C22 -3.221692090C3 2.31066227 -2.271171570C4 3.28916812 -2.064953090N5 3.59983039 -1.114432690C6 3.01622152 -0.3097004590C7 3.59983039 0.4950318630C8 4.54605055 0.1902995260C9 4.54605055 -0.8097004890 C105.412076 -1.309700490 C11 6.27810144 -0.8097005490 C12 6.27810144 0.1902994810 C13 7.18810225 0.6971452240 C14 7.19613218 1.738745090C15 6.29405355 2.259560590C16 5.3960166 1.731806520C17 4.52426767 2.221758840O18 3.66408134 1.71177840N19 4.51270437 3.221692090C205.412076 0.6902995110H21 0.893638492 -2.821237090H22 0.414820403 -3.555766340H23 1.14934969 -4.034584520H24 2.02056551 -3.841350790H25 2.61381602 -3.309041980H26 2.29009676 -1.651512860H27 1.69684625 -2.183821920H28 3.30973363 -2.684612040H29 3.9029839 -2.152302740H30 2.55535197 0.1050276010H31 2.55535197 -0.7244284750H32 3.85086322 1.061938050 H33 3.06244826 0.8042572140!H34 4.48044252 0.8068184260"H35 4.48044252 -1.426219340#H36 5.0135479 -1.784648060$H37 5.8106041 -1.784648060%H38 6.49015379 -1.392310020&H39 6.88868237 -0.7020387050'H40 7.7214179 0.3809572160(H41 7.73425913 2.046673060)H42 6.29166365 2.879555940*H43 5.04601955 3.537880180+H44 3.97221994 3.52546263046             ! "!#"$ #% $& %' &( ') (*)+*,+-0H00000000-0000-0000-0000-000000000000$ziD!qt?6 `?@??@?7 `?}| ?4?π? `?>?Ӵi@?Ց?j ?g`?"@?ǀ̧Nau?סO? ?/:g9&8Oǃ:Qrzzzzzzz,"-" = 0.28;"+" = 0.72;8>=mI P]]@(@(@(@(@,p@(@(@(@(@(@(@(@(@(@(@(@(@/@@,p@(@q/f&lE ([ zzzQ =zz?zzPzzzPz?2"no" = 0.64;"yes" = 0.36;8quLx7ː :?ݝ?ݝ>"-" = 0.0371353;"+" = 0.962865;8ys-`G"Pə ?z??z?녀?R?녀??z?녀?R?z??R??R?R?zz?z6"low" = 0.67;"high" = 0.33;8#*W@ר 8?Yv?%?,a`?7:@kF}@`r|yYsU'@%4? eŀ,`?It?b jE"h ???????EрCϬs}2F`? ? ? ? @5 @!@*@G*=pDxԘȂ@Q?33@,VBtu^Q???p?#p?߸?@%??;??߸?߸?߸??xp?@@?=̓ hC۫I6:tS1-482 N{?x??r9@2??????@˰ULy[BTq (5HT1a affinity (pKi)5@?@6@??ə@7@??ٙ@8@??33@@ 9@??陙@"10@??@$(5HT1a affinity (pKi)Calibri@(2d((((((((((((((((((Calibri@(2d((((((((((((((((((@@$??ə])يAꙈWj Count0@?5@??@10@??@$15@??@.20@??@4@???@??@@??33@@@??ə@@??33@@@??ff`@@??ٙ@ @??@"@??ᙙ@&@??33@@(@??@*@??ff`@,@??陙@0@??33@@1@??@2@??ff`@3 CountCalibri@(2d((((((((((((((((((Calibri@(2d((((((((((((((((((@4@?@Z'M0P/TIV])يAꙈWj@Z'M0P/Data Set!!ffv|NCf !u˰ULy[BTq..__FFFFFFData SetTIV@V:Count vs 5HT1a affinity (pKi)Calibri@(2d((((((v|NCf !u˰ULy[BTqp22 serialization::archive 11 1 0 0 0 0 0 0 0 1 0 1 0 1 1Calibri@(2d((((((@$@$@$@$c:Count vs 5HT1a affinity (pKi)2((*NewProfile1?