09 PMuscarinic_acetylcholine_receptor_M5_modNMuscarinic_acetylcholine_receptor_M5_KiNew compounds   Count vs Ki (uM)NMuscarinic_acetylcholine_receptor_M5_KiVisualisationNMuscarinic_acetylcholine_receptor_M5_Ki0NMuscarinic_acetylcholine_receptor_M5_Ki?[~EANStructure<Rule> <Rule> <Column></Column> <UserCreated>0</UserCreated> <RemoveSalts>1</RemoveSalts> <UseFileDiagramCoords>True</UseFileDiagramCoords> <CombineConformers>False</CombineConformers> </Rule> </Rule> 'n f/@ީp e~ID<Rule> <Rule> <Column></Column> <UserCreated>0</UserCreated> <ValueType>0</ValueType> <Value></Value> <IncrementStart>1</IncrementStart> <IncrementChange>1</IncrementChange> <Temporary>0</Temporary> </Rule> </Rule> 4@ QKi (uM)<RulesList> <Rule> <Column>Ki (uM)</Column> <UserCreated>1</UserCreated> <ValueType>0</ValueType> <Value></Value> <IncrementStart>1</IncrementStart> <IncrementChange>1</IncrementChange> <Temporary>0</Temporary> <Units>1</Units> <SDType>2</SDType> <SD>3</SD> <SDColumn></SDColumn> <RemoveColumn>0</RemoveColumn> <KeepOriginals>0</KeepOriginals> <UseValue>1</UseValue> <Precision>0</Precision> <FloatingPointDisplay>Default</FloatingPointDisplay> </Rule> </RulesList> 4-Gd}Aݾ'n f/@ީp e~ CHEMBL173955?[~EAN`CN(C)C(=O)Oc1cccnc1COC(=O)C(C)(c2ccccc2)c3ccccc3 iOSA$c40c281b-3366-4a68-ba6a-7768e65d485b54C1 8.928203582.750N2 9.794228552.250C3 10.66025452.750C4 9.794228551.250O5 10.66025450.750O6 8.928203580.750C7 8.92820358-0.250C8 9.79422855-0.750C9 9.79422855-1.750 C10 8.92820358-2.250 N11 8.06217766-1.750 C12 8.06217766-0.750 C13 7.19615221-0.250 O14 6.33012724-0.750C15 5.46410179-0.250O16 5.464101790.750C17 4.59807634-0.750C18 5.09807634 -1.616025450C19 3.7320509-1.250C20 2.86602545-0.750C212-1.250C222-2.250C23 2.86602545-2.750C24 3.7320509-2.250C25 4.09807634 0.1160254030C26 4.59807634 0.9820508360C27 4.09807634 1.848076220C28 3.09807611 1.848076220C29 2.59807611 0.9820508360C30 3.09807611 0.1160254030H319.238204 3.286935570H32 8.39126778 3.060000180 H33 8.61820316 2.213064430!H34 10.9702539 2.213064190"H35 11.1971903 3.059999940#H36 10.350255 3.286935810$H37 10.3311644 -0.4400000570%H38 10.3311644 -2.059999940&H39 8.92820358 -2.869999890'H40 7.59468031 0.2249475870(H41 6.79762363 0.2249474970)H42 4.56114054 -1.926025390*H43 5.40807629 -2.152961250+H44 5.63501215 -1.306025510,H45 2.86602545 -0.1299999950-H46 1.46306419 -0.9399999980.H47 1.46306419 -2.559999940/H48 2.86602545 -3.3699998900H49 4.2689867 -2.5599999401H50 5.21807623 0.98205083602H51 4.40807629 2.3850119103H52 2.78807616 2.3850119104H53 1.9780761 0.98205083605H54 2.78807616 -0.420910358056           ! "!#"$#%$&%' &( ') (*)+*,+-,.-/.0/10213243546570H00000000-0000-0000-0000-0000000000004@ Q@Dp@'JO>L'n f/@ީp e~ CHEMBL175059?[~EANO=C(CCNC(=O)CC(c1ccccc1)(c2ccccc2)c3ccccc3)NCCC(=O)NCC4CCCN(CC5CCCCC5)C4OSA$0d43e9c7-b1ba-4a8f-97b1-e313ef869c1d99O1 10.5248146 1.242160560C2 10.3511667 0.2573527690C3 9.41147423 -0.08466738460C4 8.64542961 0.5581202510N5 7.70573711 0.2161000820C6 6.9396925 0.8588876720O7 7.11334085 1.84369540C86 0.5168675180C95 0.5168675180 C105 -0.4831324520 C11 4.13397455 -0.9831324820 C12 4.13397455 -1.983132480 C135 -2.483132360 C14 5.86602545 -1.983132480C15 5.86602545 -0.9831324820C165 1.516867520C17 5.86602545 2.016867640C18 5.86602545 3.016867640C195 3.516867640C20 4.13397455 3.016867640C21 4.13397455 2.016867640C224 0.5168675180C233.5 1.382892970C242.5 1.382892970C252 0.5168675180C262.5 -0.349157870C273.5 -0.349157870N28 11.1172113 -0.3854348660C29 12.0569038 -0.04341470820C30 12.8229485 -0.6862023470C31 13.762641 -0.3441821630O32 13.9362888 0.6406255960 N33 14.5286856 -0.9869697690!C34 15.4683781 -0.6449496150"C35 16.2344227 -1.287737250#C36 16.0607738 -2.27254510$C37 16.8268185 -2.915332560%C38 17.7665119 -2.573312520&N39 17.9401588 -1.588504670'C40 18.8798523 -1.246484520(C41 19.6458969 -1.889272210)C42 19.4722481 -2.874079940*C43 20.2382927 -3.516867640+C44 21.1779861 -3.174847360,C45 21.3516331 -2.190039630-C46 20.5855885 -1.547252060.C47 17.1741142 -0.9457170960/H48 8.9365263 -0.48319575200H49 9.72147465 -0.62160313101H50 9.12037754 0.95664858802H51 8.33542919 1.0950559403H52 7.59807539 -0.39448073504H53 5.75443077 -0.052426472305H54 5.89233828 1.1274483206H55 3.59703875 -0.67313247907H56 3.59703875 -2.2931325408H575 -3.1031322509H58 6.40296125 -2.293132540:H59 6.40296125 -0.6731324790;H60 6.40296125 1.706867690<H61 6.40296125 3.326867580=H625 4.136867520>H63 3.59703875 3.326867580?H64 3.59703875 1.706867690@H65 3.80999994 1.919828770AH66 2.19000006 1.919828770BH671.38 0.5168675180CH68 2.19000006 -0.8860936160DH69 3.80999994 -0.8860936160EH70 11.0095491 -0.9960156680FH71 12.5318518 0.3551136550GH72 11.7469034 0.4935210350HH73 12.3480005 -1.084730740IH74 13.1329489 -1.223138090JH75 14.4210234 -1.597550630KH76 15.943326 -0.2464212630LH77 15.1583776 -0.1080138830MH78 16.3420849 -0.6771563890NH79 15.4781647 -2.060492520OH80 15.7507734 -2.809480910PH81 16.3518715 -3.313860890QH82 17.1368179 -3.452268360RH83 17.8741741 -3.18389320SH84 18.3865128 -2.573312040TH85 19.3547993 -0.847956240UH86 18.5698528 -0.7095487120VH87 19.7535591 -1.278691410WH88 18.8896389 -2.662027120XH89 19.1622486 -3.411015750YH90 19.7633457 -3.915395980ZH91 20.5482922 -4.053803440[H92 21.2856483 -3.785428050\H93 21.797987 -3.174846890]H94 21.9342422 -2.40209150^H95 21.6616325 -1.653103710_H96 21.0605354 -1.14872360`H97 20.275589 -1.010316370aH98 17.6490612 -0.5471886990bH99 16.8641148 -0.4087814390103             ! " !#!"$"#%#$&$%'%&(&')'(*()+)*,*+-+,.,-/(-0&.1".2/3041526374859 6: 7; 8< 9=:>;?<@=A>B?C@DAEBFCGDHEIFJGKHLIM JN!KO!LP"MQ#NR#OS$PT$QU%RV%SW'TX'UY(VZ)W[)X\*Y]*Z^+[_+\`,]a,^b-_c-`d.ae.bf0H00000000-0000-0000-0000-0000000000004@ Q?@۬]G[ 4kO'n f/@ީp e~ CHEMBL227429?[~EAN>C[C@H]1COC[C@H](C[N+](C)(C)C)O1.OSA$34d3ffdc-ee1f-41ee-9022-77396f199d3832C1 7.19615221 -0.8169872760C2 6.33012724 -0.3169873060H3 6.33012724 -0.9369872810C4 6.33012724 0.6830127240O5 5.46410179 1.183012720C6 4.59807634 0.6830127240C7 4.59807634 -0.3169873060H8 4.59807634 -0.9369872810C9 3.7320509 -0.8169872760 N10 2.86602545 -0.3169873061 C11 3.36602545 0.5490381120 C122 0.1830127090 C13 2.36602545 -1.183012720 O14 5.46410179 -0.8169872760H15 6.88615227 -1.353922960H16 7.73308802 -1.126987340H17 7.50615215 -0.2800515890H18 6.94070816 0.5753508810H19 6.54217958 1.265622140H204.386024 1.265622140H21 3.98749542 0.5753508810H22 3.33352256 -1.291934850H23 4.13057899 -1.291934850H24 3.90296125 0.2390381250H25 3.67602539 1.085973860H26 2.82908964 0.8590381150H27 2.30999994 0.7199484710H28 1.46306419 0.4930126970H29 1.69000006 -0.3539230530H30 1.82908964 -0.8730127220H31 2.05602551 -1.719948530H32 2.90296125 -1.49301267032                  0H00000000-0000-0000-0000-0000000000004@ Q@@@+_IK~ϒ7yT'n f/@ީp e~ CHEMBL177040?[~EANO=C(CCCNC(=O)CNC(=O)CC(c1ccccc1)(c2ccccc2)c3ccccc3)NCC4CCCN(CC5CCCCC5)C4OSA$9f2f3269-2343-495c-a453-ef88a5ca547999O1 13.9362888 0.6406255960C2 13.762641 -0.3441821630C3 12.8229485 -0.6862023470C4 12.0569038 -0.04341470820C5 11.1172113 -0.3854348660N6 10.3511667 0.2573527690C7 9.41147423 -0.08466738460O8 9.23782635 -1.069475170C9 8.64542961 0.5581202510 N10 7.70573711 0.2161000820 C11 6.9396925 0.8588876720 O12 7.11334085 1.84369540 C136 0.5168675180 C145 0.5168675180C155 -0.4831324520C16 4.13397455 -0.9831324820C17 4.13397455 -1.983132480C185 -2.483132360C19 5.86602545 -1.983132480C20 5.86602545 -0.9831324820C215 1.516867520C22 5.86602545 2.016867640C23 5.86602545 3.016867640C245 3.516867640C25 4.13397455 3.016867640C26 4.13397455 2.016867640C274 0.5168675180C283.5 1.382892970C292.5 1.382892970C302 0.5168675180C312.5 -0.349157870C323.5 -0.349157870 N33 14.5286856 -0.9869697690!C34 15.4683781 -0.6449496150"C35 16.2344227 -1.287737250#C36 16.0607738 -2.27254510$C37 16.8268185 -2.915332560%C38 17.7665119 -2.573312520&N39 17.9401588 -1.588504670'C40 18.8798523 -1.246484520(C41 19.6458969 -1.889272210)C42 19.4722481 -2.874079940*C43 20.2382927 -3.516867640+C44 21.1779861 -3.174847360,C45 21.3516331 -2.190039630-C46 20.5855885 -1.547252060.C47 17.1741142 -0.9457170960/H48 12.3480005 -1.0847307400H49 13.1329489 -1.2231380901H50 12.5318518 0.35511365502H51 11.7469034 0.49352103503H52 10.6422634 -0.78396320304H53 11.4272118 -0.92237061305H54 10.4588289 0.86793357106H55 9.12037754 0.95664858807H56 8.33542919 1.0950559408H57 7.59807539 -0.39448073509H58 5.75443077 -0.05242647230:H59 5.89233828 1.127448320;H60 3.59703875 -0.6731324790<H61 3.59703875 -2.293132540=H625 -3.103132250>H63 6.40296125 -2.293132540?H64 6.40296125 -0.6731324790@H65 6.40296125 1.706867690AH66 6.40296125 3.326867580BH675 4.136867520CH68 3.59703875 3.326867580DH69 3.59703875 1.706867690EH70 3.80999994 1.919828770FH71 2.19000006 1.919828770GH721.38 0.5168675180HH73 2.19000006 -0.8860936160IH74 3.80999994 -0.8860936160JH75 14.4210234 -1.597550630KH76 15.943326 -0.2464212630LH77 15.1583776 -0.1080138830MH78 16.3420849 -0.6771563890NH79 15.4781647 -2.060492520OH80 15.7507734 -2.809480910PH81 16.3518715 -3.313860890QH82 17.1368179 -3.452268360RH83 17.8741741 -3.18389320SH84 18.3865128 -2.573312040TH85 19.3547993 -0.847956240UH86 18.5698528 -0.7095487120VH87 19.7535591 -1.278691410WH88 18.8896389 -2.662027120XH89 19.1622486 -3.411015750YH90 19.7633457 -3.915395980ZH91 20.5482922 -4.053803440[H92 21.2856483 -3.785428050\H93 21.797987 -3.174846890]H94 21.9342422 -2.40209150^H95 21.6616325 -1.653103710_H96 21.0605354 -1.14872360`H97 20.275589 -1.010316370aH98 17.6490612 -0.5471886990bH99 16.8641148 -0.4087814390103          ! " !#!"$"#%#$&$%'%&(&')'(*()+)*,*+-+,.,-/(-0&.1".2/30415263748596:7; 8< 9= :>;?<@=A>B?C@DAEBFCGDHEIFJGKHLIM JN!KO!LP"MQ#NR#OS$PT$QU%RV%SW'TX'UY(VZ)W[)X\*Y]*Z^+[_+\`,]a,^b-_c-`d.ae.bf0H00000000-0000-0000-0000-0000000000004@ Q?@ 3HYj<'n f/@ީp e~ CHEMBL177322?[~EANO=C(CNC(=O)[C@@H]1CCCN1C(=O)CC(c2ccccc2)(c3ccccc3)c4ccccc4)NCC5CCCN(CC6CCCCC6)C5OSA$51863df8-d8fc-4445-90c4-ca9d3acef13a100O1 9.78616047 -3.002036330C2 10.0951767 -2.050979850C3 9.42604637 -1.30783510N4 8.44789886 -1.515746710C5 7.77876806 -0.7726019620O6 6.80062056 -0.9805136320C7 8.08778572 0.1784545780H8 7.47541904 0.0814652890C9 9.0388422 0.4874715810 C10 9.0388422 1.487471580 C11 8.08778572 1.796488520 N127.5 0.9874715810 C136.5 0.9874715810 O147 1.853497030C156 0.121446170C165 0.121446170C175 -0.8785538080C18 4.13397455 -1.378553870C19 4.13397455 -2.378553870C205 -2.878553870C21 5.86602545 -2.378553870C22 5.86602545 -1.378553870C235 1.121446130C24 5.86602545 1.621446130C25 5.86602545 2.621446130C265 3.121446130C27 4.13397455 2.621446130C28 4.13397455 1.621446130C294 0.121446170C303.5 0.9874715810C312.5 0.9874715810C322 0.121446170 C332.5 -0.7445792560!C343.5 -0.7445792560"N35 11.0733242 -1.843068240#C36 11.7424555 -2.586213110$C37 12.720603 -2.378301380%C38 13.3897333 -3.121446130&C39 14.3678808 -2.91353440'C40 14.676898 -1.962477920(N41 14.0077677 -1.219333170)C42 14.3167849 -0.2682766320*C43 15.2949324 -0.06036492810+C44 15.9640627 -0.8035097720,C45 16.9422112 -0.5955980420-C46 17.2512264 0.3554584380.C47 16.5820961 1.098603250/C48 15.6039486 0.89069157800C49 13.0296202 -1.4272447801H50 9.95183659 -0.9792852402H51 9.19379044 -0.73298108603H52 8.25630856 -2.1054017504H53 9.1677475 -0.11897993105H54 9.65544605 0.55227923406H55 9.65544605 1.4226639307H56 9.1677475 2.0939230908H57 8.33996296 2.3628866709H58 7.55084991 2.10648870:H59 5.89233828 -0.489134640;H60 6.58260965 -0.09060632440<H61 3.59703875 -1.068553920=H62 3.59703875 -2.688553810>H635 -3.498553750?H64 6.40296125 -2.688553810@H65 6.40296125 -1.068553920AH66 6.40296125 1.311446070BH67 6.40296125 2.931446080CH685 3.741446020DH69 3.59703875 2.931446080EH70 3.59703875 1.311446070FH71 3.80999994 1.524407390GH72 2.19000006 1.524407390HH731.38 0.1214461770IH74 2.19000006 -1.2815150JH75 3.80999994 -1.2815150KH76 11.2649155 -1.25341320LH77 11.2166662 -2.914763210MH78 11.9747114 -3.161067010NH79 12.3057423 -1.917551520OH80 12.8639431 -3.449995990PH81 13.6219893 -3.696300030QH82 14.3895187 -3.533156630RH83 14.9818468 -2.99982190SH84 15.2243252 -2.253550290TH85 15.0586081 -1.473911290UH86 14.2951469 0.3513456880VH87 13.7028189 -0.1819892530WH88 15.1033421 -0.6500199440XH89 15.4382725 -1.132059570YH90 16.1963196 -1.378363850ZH9116.96385 -1.215220330[H92 17.5561771 -0.6818847060\H93 17.7986546 0.06438662860]H94 17.6329365 0.8440252540^H95 17.1078854 1.427153110_H96 16.3498402 1.673457260`H97 15.5823107 1.510313870aH98 14.9899826 0.97697860bH99 13.0079823 -0.8076224920cH100 12.4156542 -1.34095740105           ! " !#!$"%"#&#$'$%(%&)&'*'(+(),)*-*+.+,/,-0-.1./2*/3(04$05162738495: 6; 7< 8= 9>:?;@<A=B>C?D@EAFBGCHDIEJFKGLHM IN!JO"KP#LQ#MR$NS%OT%PU&QV&RW'SX'TY)UZ)V[*W\+X]+Y^,Z_,[`-\a-]b.^c._d/`e/af0bg0ch0H00000000-0000-0000-0000-0000000000004@ Q@@J'n f/@ީp e~ CHEMBL195?[~EANXCN1[C@@H]2CC[C@@H]1CC(C2)OC(=O)C(CO)c3ccccc3 OSA$8789b3b0-5e20-4b22-ba61-2016f35877de44C1 7.30598354 3.872152570N2 7.80598354 3.006127120C3 8.54259777 2.023513080H4 8.76259422 2.844550130C5 9.9415369 1.514693980C6 9.68271732 0.5487681630C7 8.28377914 1.057587270H8 8.06378269 0.2365502860C9 7.06275558 0.1919257640 C10 6.23371792 0.751118660 C11 6.50935555 1.712380410 O12 5.29402542 0.4090985060 C13 5.12037706 -0.5757092240 O14 5.88642168 -1.21849680C15 4.18068457 -0.9177293780C16 3.41464019 -0.2749417720O17 2.47494745 -0.6169618960C18 4.00703621 -1.902537110C19 3.06734371 -2.244557380C20 2.89369559 -3.229365110C21 3.65973997 -3.872152570C22 4.59943247 -3.530132530C23 4.77308083 -2.54532480H24 7.84291935 4.182152750H25 6.9959836 4.409088130H26 6.76904774 3.562152620H27 10.5355034 1.33691990H28 10.136467 2.103253360H29 9.48778725 -0.03979118540H30 10.2766838 0.3709940310H31 6.65691233 -0.2767866550H32 7.47941065 -0.2672021690 H33 5.78027868 1.173957710!H34 6.50430536 2.332359790"H35 5.8950429 1.796166540#H36 4.28834629 -0.3071485760$H37 3.88958764 0.1235865350%H38 3.10464025 0.2619940040&H392 -0.2184335890'H40 2.59239602 -1.846029160(H41 2.31108618 -3.441417690)H42 3.55207801 -4.482733250*H43 5.07437992 -3.928660870+H44 5.35569048 -2.33327246046           ! " !# "$#%$&%'&(')(*)+*,+-0H00000000-0000-0000-0000-0000000000004@ Q?N@&rQN»'} f'n f/@ީp e~ CHEMBL177041?[~EANO=C(CCNC(=O)CNC(=O)CC(c1ccccc1)(c2ccccc2)c3ccccc3)NCC4CCCN(CC5CCCCC5)C4OSA$50ac6594-3f54-436d-8525-8450f46e443d96O1 12.6492996 -2.187877660C2 12.8229485 -1.203069810C3 12.0569038 -0.560282230C4 11.1172113 -0.9023023840N5 10.3511667 -0.2595147790C6 9.41147423 -0.6015349030O7 9.23782635 -1.586342690C8 8.64542961 0.04125267640N9 7.70573711 -0.3007674520 C10 6.9396925 0.3420201540 O11 7.11334085 1.326827880 C1264.4408921e-0160 C1352.22044605e-0160 C145-10C15 4.13397455-1.50C16 4.13397455-2.50C175-30C18 5.86602545-2.50C19 5.86602545-1.50C20510C21 5.866025451.50C22 5.866025452.50C23530C24 4.133974552.50C25 4.133974551.50C2644.4408921e-0160C273.5 0.8660253880C282.5 0.8660253880C2921.11022302e-0150C302.5 -0.8660253880C313.5 -0.8660253880N32 13.762641 -0.8610497120 C33 14.5286856 -1.503837350!C34 15.4683781 -1.161817190"C35 16.2344227 -1.804604770#C36 17.1741142 -1.462584610$C37 17.3477631 -0.4777769150%N38 16.5817184 0.1650107060&C39 16.7553673 1.149818420'C40 17.6950588 1.491838570(C41 18.4611034 0.8490509990)C42 19.4007969 1.191071150*C43 19.57444572.1758790+C44 18.8084011 2.818666460,C45 17.8687077 2.476646420-C46 15.6420259 -0.1770094340.H47 12.5318518 -0.1617538630/H48 11.7469034 -0.023346504200H49 10.6422634 -1.3008307201H50 11.4272118 -1.4392380702H51 10.4588289 0.35106602303H52 9.12037754 0.4397810404H53 8.33542919 0.57818841905H54 7.59807539 -0.91134828306H55 5.75443077 -0.56929397607H56 5.89233828 0.61058080208H57 3.59703875 -1.1899999409H58 3.59703875 -2.809999940:H595 -3.619999890;H60 6.40296125 -2.809999940<H61 6.40296125 -1.189999940=H62 6.40296125 1.189999940>H63 6.40296125 2.809999940?H645 3.619999890@H65 3.59703875 2.809999940AH66 3.59703875 1.189999940BH67 3.80999994 1.402961130CH68 2.19000006 1.402961130DH691.389.10815799e-0160EH70 2.19000006 -1.402961130FH71 3.80999994 -1.402961130GH72 13.8703032 -0.250468910HH73 14.0537376 -1.902365680IH74 14.838686 -2.040773150JH75 15.3607159 -1.772397990KH76 15.7594748 -2.203133110LH77 16.5444221 -2.341540340MH78 17.2817764 -2.073165420NH79 17.7941151 -1.462584850OH80 17.9303722 -0.6898296480PH81 17.6577625 0.05915878710QH82 16.6477051 1.760399220RH83 16.1353664 1.149818660SH84 17.2201118 1.890366910TH85 17.9861565 0.4505226910UH86 18.7711029 0.3121151920VH87 19.5084591 0.5804902910WH88 20.0207977 1.19107080XH89 20.1570549 1.96382630YH90 19.8844452 2.712814810ZH91 19.2833481 3.21719480[H92 18.4984016 3.355602260\H93 17.7610455 3.087227340]H94 17.2487068 2.476646660^H95 15.5343637 0.4335713680_H96 15.0220261 -0.1770095680100           ! " !#!"$"#%#$&$%'%&(&')'(*()+)*,*+-+,.',/%-0!-1.2/3041526374859 6: 7;8<9=:>;?<@=A>B?C@DAEBFCGDHEIFJGK HL IM!JN"KO"LP#MQ#NR$OS$PT&QU&RV'SW(TX(UY)VZ)W[*X\*Y]+Z^+[_,\`,]a-^b-_c0H00000000-0000-0000-0000-0000000000004@ Q? @9E*gE*K9z='n f/@ީp e~ CHEMBL172729?[~EANLCC(C(=O)OCc1ncccc1O)(c2ccccc2)c3ccccc3 OSA$c494e5f7-50b5-4ba4-9dbc-981fc0cd873d44C1 8.11999989 0.2320508060C2 7.11999989 0.2320508060C3 6.11999989 0.2320508060O4 5.61999989 1.098076220O5 5.61999989 -0.6339746120C6 4.61999989 -0.6339746120C7 4.11999989-1.50N8 4.61999989 -2.366025450C9 4.11999989 -3.23205090 C10 3.11999989 -3.23205090 C11 2.61999989 -2.366025450 C12 3.11999989-1.50 O13 2.61999989 -0.6339746120 C14 7.11999989 -0.7679491640C15 6.25397444 -1.267949220C16 6.25397444 -2.26794910C17 7.11999989 -2.76794910C18 7.98602533 -2.26794910C19 7.98602533 -1.267949220C20 7.11999989 1.232050780C21 7.98602533 1.732050780C22 7.98602533 2.73205090C23 7.11999989 3.23205090C24 6.25397444 2.73205090C25 6.25397444 1.732050780H26 8.11999989 -0.3879491980H27 8.73999977 0.2320508060H28 8.11999989 0.8520507810H29 4.72766161 -0.02339380610H30 4.03739023 -0.4219221170H31 4.42999983 -3.76898670H32 2.80999994 -3.76898670 H33 1.99999988 -2.366025450!H342 -0.6339746120"H35 5.71703863 -0.9579492210#H36 5.71703863 -2.577949050$H37 7.11999989 -3.387948990%H38 8.52296066 -2.577949050&H39 8.52296066 -0.9579492210'H40 8.52296066 1.422050710(H41 8.52296066 3.042050840)H42 7.11999989 3.852050780*H43 5.71703863 3.042050840+H44 5.71703863 1.42205071046             ! " !#"$#%$&%'&(')(*)+*,+-0H00000000-0000-0000-0000-0000000000004@ Q@R\ @B²q}.'n f/@ީp e~ CHEMBL169401?[~EANHCC(C1=C(CCCN(C)C)Cc2ccccc12)c3ccccn3 OSA$2cd0d29b-cc77-498a-8894-cf48f52cbc8749C1 4.32108927 2.239487170C2 4.98893309 1.495185490C3 4.67827082 0.5446652170C4 5.26187944 -0.2600671050C5 6.26187944 -0.2600671050C6 6.76187944 -1.126092550C7 7.76187944 -1.126092550N8 8.26187992 -1.992117880C9 7.76187944 -2.858143330 C10 9.26187992 -1.992117880 C11 4.67827082 -1.064799430 C12 3.7320509 -0.7600671050 C13 2.86602545 -1.260067110 C142 -0.7600671050C152 0.239932880C16 2.86602545 0.7399328950C17 3.7320509 0.239932880C18 5.9674387 1.701404210C19 6.63528252 0.9571026560C20 7.61378813 1.163321380C21 7.92445087 2.113841770C22 7.25660706 2.858143330N23 6.27810097 2.651924610H24 4.78255606 2.653550150H25 3.90702629 2.70095420H26 3.85962224 1.825424080H27 5.18154383 2.084508180H28 6.8444891 -0.04801462590H29 6.15421772 0.3505136970H30 6.17926979 -1.338145020H31 6.86954117 -1.736673360H32 8.3444891 -0.914039910 H33 7.65421772 -0.5155117510!H34 7.22494364 -2.548143150"H35 7.45187902 -3.39507890#H36 8.29881477 -3.168143510$H37 9.26187992 -2.612117770%H38 9.88187981 -1.992117880&H39 9.26187992 -1.372117880'H40 4.42723799 -1.631705640(H41 5.21565294 -1.374024630)H42 2.86602545 -1.880067110*H43 1.46306419 -1.070067170+H44 1.46306419 0.5499328970,H45 2.86602545 1.35993290-H46 6.44267178 0.367780030.H47 8.0278511 0.7018542890/H48 8.53112411 2.2416973100H49 7.4492178 3.4474659051             ! "!#"$#% $& %' &( ') (* )+ *,+-,.-/.0/1020H00000000-0000-0000-0000-0000000000004@ Q@sP@A߻# E'n f/@ީp e~ CHEMBL169494?[~EAN@CN(C)CCC1=C(Cc2ccccn2)c3ccccc3C1 OSA$c0114d39-c919-4e8a-89a9-b7628054fd0e43C1 8.26187992 -0.6930798290N2 7.76187944 -1.559105280C3 8.26187992 -2.425130610C4 6.76187944 -1.559105280C5 6.26187944 -0.6930798290C6 5.26187944 -0.6930798290C7 4.67827082 0.1116524930C8 4.98893309 1.062172890C9 5.9674387 1.268391610 C10 6.63528252 0.5240899320 C11 7.61378813 0.7303086520 C12 7.92445087 1.680829050 C13 7.25660706 2.425130610 N14 6.27810097 2.218911890C15 3.7320509 -0.1930798140C16 2.86602545 0.3069201710C172 -0.1930798140C182 -1.193079830C19 2.86602545 -1.693079830C20 3.7320509 -1.193079830C21 4.67827082 -1.497812150H22 8.79881573 -1.003080010H23 8.57188034 -0.1561442020H24 7.72494411 -0.3830796180H25 7.72494411 -2.735130790H26 8.57188034 -2.962066170H27 8.79881573 -2.115130420H28 6.17926979 -1.771157740H29 6.86954117 -2.169686080H30 6.8444891 -0.4810273350H31 6.15421772 -0.08249901980H32 4.96836758 1.681831720 H33 4.3751173 1.149522540!H34 6.44267178 -0.06523270160"H35 8.0278511 0.2688415650#H36 8.53112411 1.808684590$H37 7.4492178 3.014453170%H38 2.86602545 0.9269201760&H39 1.46306419 0.1169201880'H40 1.46306419 -1.503079890(H41 2.86602545 -2.313079830)H42 4.42723799 -2.064718250*H43 5.21565294 -1.80703735045            ! " !# "$ #% $&%'&(')(*)+*,0H00000000-0000-0000-0000-0000000000004@ Q@q6f`@y@☑('n f/@ީp e~ CHEMBL172234?[~EANLCN(C)CCOC(=O)C1=C(Cc2ccccn2)c3ccccc3C1 >OSA$4a693a2d-49cf-40a6-8c3b-cf3872cb246446C1 9.76187992 -1.664175390N2 9.26187992 -2.530200720C3 9.76187992 -3.396226170C4 8.26187992 -2.530200720C5 7.76187944 -1.664175390O6 6.76187944 -1.664175390C7 6.26187944 -0.7981500030O8 6.76187944 0.06787537780C9 5.26187944 -0.7981500030 C10 4.67827082 0.006582288070 C11 4.98893309 0.9571026560 C12 4.32108927 1.701404210 C13 3.34258342 1.495185490 C14 2.67473984 2.239487170C15 2.98540211 3.190007450C16 3.96390796 3.396226170N17 4.63175154 2.651924610C18 3.7320509 -0.2981500330C19 2.86602545 0.2018499820C202 -0.2981500330C212 -1.298150060C22 2.86602545 -1.798150060C23 3.7320509 -1.298150060C24 4.67827082 -1.602882390H25 10.2988157 -1.974175450H26 10.0718803 -1.12723970H27 9.22494411 -1.354175330H28 9.22494411 -3.706226110H29 10.0718803 -3.933161970H30 10.2988157 -3.086226220H31 7.67927074 -2.74225330H32 8.36954212 -3.14078140 H33 8.3444891 -1.452122690!H34 7.65421772 -1.053594590"H35 5.53585625 0.6650834680#H36 5.37148809 1.445008160$H37 3.14997268 0.9058628680%H38 2.06806612 2.111631630&H39 2.57133913 3.651474480'H40 4.15651846 3.985548730(H41 2.86602545 0.8218500020)H42 1.46306419 0.01184997340*H43 1.46306419 -1.608150120+H44 2.86602545 -2.418149950,H45 4.42723799 -2.16978860-H46 5.21565294 -1.91210759048            ! "!# "$ #% $& %'&(')(*)+*,+-,.-/0H00000000-0000-0000-0000-0000000000004@ Q@L@"փjN7GE'n f/@ީp e~ CHEMBL169594?[~EANLCN(C)CCOC(=O)C1=C(Cc2cccnc2)c3ccccc3C1OSA$38b446a0-1af4-4d03-83fe-c815fa7122e746 6.02740526 2.260066990 5.8181653 1.28220260 6.56040096 0.6120634680 4.86669016 0.974477410 4.6574502-0.003386944530 3.70597482 -0.3111119270 3.49673486 -1.288976310 4.23897028 -1.959115390 2.54525948 -1.596701380 1.7313478 -1.003755210 1.73279893-0.003756225110 0.867500007 0.4975000020 000 -0.867500126 0.49750030 -0.867499888 1.5027003301.96501929e-07 2.010400060 0.867500126 1.502700090 0.915692449 -1.594355460 -0.0664691553 -1.378149270 -0.736099899 -2.128469940 -0.426645696 -3.085481880 0.552439213 -3.292173150 1.22554672 -2.552604440 2.23266459 -2.55411839000000000 0!0"0#0$0%0&0'0(0)0*0+0,0-048            ! "!#" $# %$ &% '&(')(*)+*,+-,.-/00H00000000-0000-0000-0000-0000000000004@ Q@VHQ@oܿMqUCR'n f/@ީp e~ CHEMBL169680?[~EAN@CN(C)CCC1=C(Cc2ccncc2)c3ccccc3C1 OSA$e79b8d4c-9864-4400-96c0-82183b901f2143 2.41734648 -3.221406460 1.46631885 -3.530512090 1.25849831 -4.508678910 0.723111808 -2.861450670 -0.227915883 -3.170556070 -0.971122861 -2.501494650 -0.866025448-1.50-4.28310649e-08-10000 -0.867500126 0.49750030 -0.867499888 1.502700330 1.96501929e-07 2.010400060 0.867500126 1.502700090 0.867500007 0.4975000020 -1.78592324 -1.090255980 -2.09115481 -0.1320180150 -3.07606316 0.07130981980 -3.74904871 -0.676168680 -3.43712616 -1.626975060 -2.45977879 -1.838700890 -1.95626485 -2.71091771000000000000 0!0"0#0$0%0&0'0(0)0*045            ! "! #" $# %$ &%'&(')(*)+*,00H00000000-0000-0000-0000-0000000000004@ Q@Xn@3ʘLud~'n f/@ީp e~ CHEMBL172233?[~EANJCC(C1=C(CCN(C)CCF)Cc2ccccc12)c3ccccn3OSA$266b739c-aa5f-4fcf-9641-d749b2cf016b49 1.73794734 3.000138520 1.73499703 2.000142810 2.59954357 1.497589830 3.52061701 1.9046047903.731323 2.882154460 2.990093233.5534060 3.20079947 4.530955310 4.15273523 4.837253090 2.45956969 5.202206610 2.67027569 6.179756160 1.92904592 6.851007460 4.19234276 1.154173140 3.68616652 0.2834983470 3.98866963 -0.6696688530 3.31901169 -1.413232450 2.3358047 -1.201247330 2.02225566 -0.24569851202.701689 0.4957574010 0.867500126 1.502700090 0.867500007 0.4975000020000 -0.867500126 0.49750030 -0.867499888 1.5027003301.96501929e-07 2.01040006000000000 0!0"0#0$0%0&0'0(0)0*0+0,0-0.0/00051            ! "!#"$#%$&% '& (' )( *) +*,+-,.-/.0/10200H00000000-0000-0000-0000-0000000000004@ Q@S3@@w_IlYV'n f/@ީp e~ CHEMBL171216?[~EANLCC(C)N(C)CC1=C(C(C)c2ccccn2)c3ccccc3C1OSA$4542f75f-bd1c-4d9c-aef9-60a833150ad649 5.84590054 4.47229910 4.89396477 4.166001320 4.15273523 4.837252620 4.68325853 3.188452010 5.42448807 2.517200470 3.73132277 2.882153990 3.52061701 1.904604430 2.59954357 1.497589830 1.73499703 2.000142810 1.73794734 3.000138520 0.867500126 1.502700090 0.867500007 0.4975000020 000 -0.867500126 0.49750030 -0.867499888 1.5027003301.96501929e-07 2.0104000602.701689 0.4957572520 2.02225566 -0.2456986610 2.3358047 -1.201247450 3.31901169 -1.413232560 3.98866963 -0.6696690320 3.68616676 0.2834981080 4.19234276 1.154172780000000000 0!0"0#0$0%0&0'0(0)0*0+0,0-0.0/00051            ! "!#"$#%$ &% '& (' )( *) +*,+-,.-/.0/10200H00000000-0000-0000-0000-0000000000004@ Q@f`@v vBKd'n f/@ީp e~ CHEMBL171501?[~EANnC[N+]1=C(COC(=O)C(C)(C2=CC=CC=C2)C3=CC=CC=C3)C(=CC=C1)OOSA$94148d46-944e-474d-9d3d-e3b31db73d46483.74800919e-07 3.0104000601.96501929e-07 2.010400061 0.867500126 1.502700090 1.73499703 2.000142810 1.73794758 3.000138520 2.60544467 3.497581010 3.46999097 2.995027780 2.6083951 4.497576710 1.60839939 4.500527380 2.61134577 5.497572420 1.74081695 6.000172620 1.7437197 7.000199790 2.60831761 7.502726550 3.47884631 7.000126360 3.48477697 5.994999410 4.35838747 4.492413520 4.86098766 5.362942220 5.86101484 5.360039710 6.3635416 4.495441910 5.86094141 3.624913220 4.85581446 3.618982320 0.867500007 0.4975000020000 -0.867500126 0.49750030 -0.867499888 1.502700330 1.73279893-0.003756225110 2.38286161 0.3703008000000 0!0"0#0$0%0&0'0(0)0*0+0,0-0.0/050            ! "!#"$# %$ &% '& (')(*)+*,+-,.-/.0/100H00000000-0000-0000-0000-0000000000004@ Q@@F]oM׋J5c'n f/@ީp e~ CHEMBL20732?[~EANTCN(C)CCOC(=O)C1=C\C(=C/c2ccccn2)\c3ccccc13|OSA$5bbdcb6e-9351-4eb1-a988-f3882841fafb44 3.12788606 -4.882609840 3.71804476 -4.075322630 4.71225548 -4.182771210 3.3139925 -3.16058660 3.9041512 -2.353299140 3.50009894 -1.438562990 4.09025764 -0.6312755350 5.08446836 -0.7387243510 3.68620563 0.2834604680 2.70168567 0.4957892890 2.59954357 1.497589830 1.73499703 2.000142810 0.867500126 1.502700090 0.867500007 0.4975000020000 -0.867500126 0.49750030 -0.867499888 1.5027003301.96501929e-07 2.010400060 3.5206461 1.904617670 3.82870364 2.861951110 4.81420755 3.062372210 5.48498487 2.312911270 5.17025852 1.363029360 4.19229078 1.154188040 1.7372098 2.7501397100000000 0!0"0#0$0%0&0'0(0)0*0+046              ! "!#"$# %$ &%'&(')(*)+*,+-00H00000000-0000-0000-0000-0000000000004@ Q@Lp@fN[`'n f/@ީp e~ CHEMBL215189?[~EANO[C@@H]1C[C@H](N(C1)C(=O)CC(c2ccc(F)cc2)(c3ccc(F)cc3)c4ccc(F)cc4)C(=O)N5CCC[C@@H]5C(=O)NCC6CCN(CC7CCC7)CC6OSA$3b7ed19b-ee80-4bba-8e41-8d9057471f9d102 -4.76877928 -3.590856080 -4.66836262 -4.58580160 -5.66835737 -4.582552910 -3.68771505 -4.382496830 -3.18917131 -5.251281740 -2.52295208 -5.997037890 -3.86480141 -5.99481630 -4.77524519 -5.580101490 -3.66329813 -6.97430420 -2.71428514 -7.289541240 -4.41080761 -7.638555050 -4.20930433 -8.618042950 -5.92340803 -8.970674510 -6.58889389 -8.217310910 -7.56842184 -8.418773650 -7.8892169 -9.365955350  -8.86958218 -9.563145640 -7.22373152 -10.1193190 -6.2374506 -9.925500870 -2.49520087 -8.265411380 -1.82971513 -9.018774990 -0.850187182 -8.817312240 -0.529391885 -7.870130540  0.450973213 -7.672940250 -1.19487727 -7.116767410 -2.18115807 -7.31058550 -4.00780058 -9.597530360 -4.76116371 -10.26301670 -4.55970097 -11.24254420 -3.6125195 -11.56333920  -3.41532898 -12.5437040 -2.85915637 -10.89785390 -3.0529747 -9.911573410! 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4.15717173 -2.477151160" 3.1597712 -2.549207690# 4.59346914 -1.577348710$ 5.57796097 -1.399382710% 5.71899652 -0.4093500080& 4.81851339 0.02897863840' 4.12154293 -0.690441370( 3.29232073 -1.249360560) 3.47949672 0.07622455060* 3.82242584 1.015585780+ 2.49452138 -0.09647071360, 1.85247529 0.6701953410- 0.867500007 0.4975000020. 1.20770144 -0.4428526160/0000 -0.867500126 0.497500301 -0.867499888 1.50270033021.96501929e-07 2.0104000603 0.867500126 1.5027000904 2.68444157 -5.5097069705 2.23732471 -0.800991714063.74800919e-07 3.010400060708090:0;0<0=0>0?0@0A0B0C0D0E0F0G0H0I0J0K0L0M0N0O0P0Q0R0S0T0U0V0W0X094             !" #!$!"%!#&#''#$($%)%&*&'+'(,')-)*.)+/+,0,-1-.2-33-/4/0501612723849+5:26;7 <8$=9$>:%?;%@<&A=&B>,C?,D@/EA/FB0GC0HD1IE1JF3KG3LHMINJOKPL QM RN SOTPUQVRWSXTYUZV[W\X]04'&(#-,.3H00000000-0000-0000-0000-0000000000004@ Q@@Ua,TrEw(@].'n f/@ީp e~ CHEMBL212645?[~EANO[C@@H]1C[C@H](N(C1)C(=O)CC(c2ccc(F)cc2)(c3ccc(F)cc3)c4ccc(F)cc4)C(=O)N5CCC[C@@H]5C(=O)NCC6CCN(CC6)C7CCCC7OSA$a6a1a362-243c-4d2d-baed-a7a354d26bac102 -3.76211214 -5.334455010 -4.57355165 -4.750019070 -5.07073545 -5.617664340 -3.90716076 -4.002406120 -4.41027832 -3.136262420 -4.72301245 -2.186421870 -5.39201307 -3.349607230 -5.48808146 -4.34543180 -6.13952255 -2.685356380 -5.93801928 -1.705868720 -7.08853531 -3.000593190 -7.83604479 -2.33634210 -6.67360544 -1.028200630 -5.68962574 -1.233655810 -5.02531815 -0.4861549140 -5.33500528 0.4647163150  -4.66747093 1.209294920 -6.31898451 0.6701715590 -6.9932766 -0.07524450870 -8.99848366 -3.644483570 -9.98246288 -3.439028260 -10.6467705 -4.186529160 -10.3370838 -5.137400630  -11.0046186 -5.881978990 -9.35310459 -5.342855930 -8.67881203 -4.597439770 -8.58355427 -1.672091130 -8.37809849 -0.6881116630 -9.12559986 -0.02380411140 -10.0764713 -0.3334911470  -10.8210497 0.3340433840 -10.2819262 -1.317470310 -9.53651047 -1.991762520! -3.49806905 -2.726537470" -3.39679646 -1.731678720# -2.68713236 -3.311671260$ -2.68185735 -4.312105180% -1.73105586 -4.621995450& -1.14380372 -3.81073880' -1.73205113 -2.999999760( -2.13936996 -2.086713790) -0.866025686 -2.499999760*-2.98023224e-07 -2.999999760+ -0.866025567 -1.499999760,-4.28310649e-08-10-000. -0.867500126 0.49750030/ -0.867499888 1.50270033001.96501929e-07 2.0104000601 0.867500126 1.5027000902 0.867500007 0.497500002033.74800919e-07 3.0104000604 -0.809773088 3.5999236105 -0.501587689 4.552721506 0.498439342 4.5513939907 0.812050879 3.6015803808 -3.83742452 -6.0806641609 -1.51554465 -1.124999880:0;0<0=0>0?0@0A0B0C0D0E0F0G0H0I0J0K0L0M0N0O0P0Q0R0S0T0U0V0W0X0Y0Z0[0\0]0^0_0`0a0b0c0d0e0108             !" #!$!"%!#&#''#$($%)%&*&'+'(,')-)*.)+/+,0,-1-22-.3./4/0501612703837934:45;56<67=8>+9?: @;$A<$B=%C>%D?&E@&FA,GB,HC-ID.JE.KF/LG/MH1NI1OJ2PK2QL3RM4SN4TO5UP5VQ6WR6XS7YT7ZU[V\W]X^Y _Z `[ a\b]c^d_e`fagbhcidjek03'&(#H00000000-0000-0000-0000-0000000000004@ Q@ @@x^\q)LMQ?'n f/@ީp e~ CHEMBL216983?[~EAN@CN1CCC=C(C1)c2nsnc2OCCOCCOCCOCCOOSA$9c5a1833-613f-4730-b981-65eea4a18c09523.81565997e-08 3.01040030-1.96808557e-07 2.01040030 -0.867500067 1.502700090 -0.867500007 0.4975000020000 0.867500305 0.4975005390 0.867499888 1.502700570 1.73279953-0.003755033020 2.64749765 0.4004539850 3.31945467 -0.3407409190 2.81661344 -1.210493680 1.83736205 -0.9997816090 1.09333825 -1.667934890 1.29996407 -2.646355150 0.555940211 -3.314508440 0.76256609 -4.29292870 0.0185422301 -4.961081980 0.225168139 -5.939502240 -0.518855691 -6.607655530 -0.312229693 -7.586075780 -1.05625343 -8.254229550 -0.849627376 -9.23264980 -1.59365106 -9.900803570 -1.38702488 -10.87922380 -2.13104868 -11.54737760 -1.97607899 -12.28119280000000 0!0"0#0$0%0&0'0(0)0*0+0,0-0.0/00010203053            !!""##$$ %% &&''(())**++,,--..//00112233400H00000000-0000-0000-0000-0000000000004@ Q@off`@I]M\"H'n f/@ީp e~ CHEMBL22551?[~EANO=C(CCCCCNC(=O)CC(c1ccccc1)(c2ccccc2)c3ccccc3)NCC4CCCN(CC5CCCCC5)C4OSA$c58dd99a-82b4-4a78-8e61-f051c3c09ec598 3.46339655 -1.006268740 2.59664655 -1.505011560 2.59519529 -2.50501060 3.46049428 -3.006266830 3.45904303 -4.006265640 4.32434177 -4.507521630 4.32289028 -5.507520680 5.18818951 -6.008776660 5.18673849 -7.008775710 4.31998825 -7.507518290 6.05203772 -7.51003170 6.0505867 -8.510030750 7.80058479 -8.512570380 8.30187988 -7.641288760 9.3019104 -7.642692090 9.80573273 -8.506535530 9.30443859 -9.377817150 8.29932117 -9.385254860 4.30058861 -8.507491110 3.79929423 -9.378771780 2.79926395 -9.377368930 2.29544139 -8.513525960 2.79673576 -7.642244340 3.8018527 -7.634806630 6.04913568 -9.510029790 6.92041683 -10.01132490 6.9190135 -11.01135540 6.05517006 -11.51517770 5.18388891 -11.01388360 5.17645121 -10.00876620 1.73134756 -1.003755210 1.73279893-0.003756225110 0.867500007 0.4975000020!000" -0.867500126 0.49750030# -0.867499888 1.502700330$1.96501929e-07 2.010400060%3.74800919e-07 3.010400060& -0.866024911 3.51040030' -1.73506749 3.005234480( -2.60114384 3.505208730) -2.60699606 4.50522280* -1.73795378 5.010388850+ -0.863059163 4.51554060, 0.867500126 1.502700090- 5.83825207 -5.634719370.1.081285 -1.377812390/000102030405060708090:0;0<0=0>0?0@0A0B0C0D0E0F0G0H0I0J0K0L0M0N0O0P0Q0R0S0T0U0V0W0X0Y0Z0[0\0]0^0_0`0a0102            ! " ,# !$!"%"#&#$'$%(%&)&+*&'+'(,()-)*.*+/$,0-1.2/ 30!41!52"63"74#85#96%:7%;8&<9'=:'>;(?<(@=)A>)B?*C@*DA+EB+FC,GD,HEIFJGKHLIMJNKOLPMQNRO SP TQ URVSWTXUYVZW[X\Y]Z^[_\`]a^b_c`dae00H00000000-0000-0000-0000-0000000000004@ Q?@}YEIhL'n f/@ީp e~ CHEMBL104210?[~EANjCCCCCc1[nH]c2ccc3OC4N(CCc5cc(OC)ccc45)Cc3c2c1C(=O)OCC OSA$f63bf8aa-5c06-4b6a-b4dd-35e3883a358865 8.5980835 8.078169820 7.89097691 7.371063230 8.14979553 6.405137540 7.44268894 5.698030950 7.70150805 4.732105260 6.99440098 4.024998660 6.9944005 3.009298320 6.11480045 2.501398560 6.11499977 1.493398550 5.24179983 0.9865990880 4.3599 1.493799450 3.48769975 0.9938996430 2.61619997 1.498299840 2.62199998 2.510999920 1.74919999 3.020200010 0.870099902 2.518100020 0.874300003 1.503700020 0.00379991555 1.005200030000 -0.8669433 -0.4984068270 -0.868782043 -1.498405220 0.874199808 -0.504599810 1.74119973-0.003199815750 1.74269986 0.9968001250 3.4958005 3.013399360 4.36660051 2.504599330 5.23860073 3.010899070 5.23510075 4.024999140 4.52677488 4.730884550 4.78392696 5.697255610 3.56129694 4.470399380 2.85297132 5.176285270 1.88749349 4.915800090! 7.64392948 2.634315490"0#0$0%0&0'0(0)0*0+0,0-0.0/000102030405060708090:0;0<0=0>0?0@069               !"# $!%" &# '$ (%)&*'+(,)-*.+/,0-1.2/3041 52 63748596:7;8<9=:>;?<@=A>B?C@D00H00000000-0000-0000-0000-0000000000004@ Q@gFf`@PڮkJB'n f/@ީp e~ CHEMBL21937?[~EANTCN(C)CCNC(=O)C1=C\C(=C/c2ccccn2)\c3ccccc13OSA$52953023-bdb1-42c9-a609-62abfdd91a3a45 3.12788606 -4.882609840 3.71804476 -4.075322630 4.71225548 -4.182771210 3.3139925 -3.16058660 3.9041512 -2.353299140 3.50009894 -1.438562990 4.09025764 -0.6312755350 5.08446836 -0.7387243510 3.68620563 0.2834604680 2.70168567 0.4957892890 2.59954357 1.497589830 1.73499703 2.000142810 0.867500126 1.502700090 0.867500007 0.4975000020000 -0.867500126 0.49750030 -0.867499888 1.5027003301.96501929e-07 2.010400060 3.5206461 1.904617670 3.82870364 2.861951110 4.81420755 3.062372210 5.48498487 2.312911270 5.17025852 1.363029360 4.19229078 1.154188040 2.75444078 -1.357976680 1.7372098 2.750139710000000 0!0"0#0$0%0&0'0(0)0*0+0,047              ! "!#"$#%$ &% '&(')(*)+*,+-,.00H00000000-0000-0000-0000-0000000000004@ Q@233@@L JOr'n f/@ީp e~ CHEMBL215180?[~EANO[C@@H]1C[C@H](N(C1)C(=O)CC(c2ccc(F)cc2)(c3ccc(F)cc3)c4ccc(F)cc4)C(=O)N5CCC[C@@H]5C(=O)NCC6CCNCC6OSA$268cd61f-e8cf-48b0-bd75-eea5d21be06b89 -5.62290335 -1.191599610 -5.72503138 -2.186370850 -6.70385933 -1.981686350 -4.72353268 -2.18484020 -4.41027832 -3.136262420 -3.90799713 -4.000966550 -5.22187376 -3.728403570 -6.03007603 -3.138738160 -5.22187376 -4.728403570 -4.35584831 -5.228403570 -6.08789921 -5.228403570 -6.08789921 -6.228403570 -7.83789921 -6.228404050 -8.33792877 -5.356395720 -9.33796024 -5.356348040 -9.8430357 -6.219459530  -10.8430262 -6.215058330 -9.34300613 -7.091467380 -8.33790112 -7.100363730 -4.33789921 -6.228403090 -3.83786941 -7.100411420 -2.83783817 -7.10045910 -2.33276272 -6.23734760  -1.33277237 -6.241748810 -2.83279252 -5.365339760 -3.83789754 -5.356443410 -6.08789873 -7.228403570 -6.95990705 -7.728432660 -6.95995474 -8.728464130 -6.09684324 -9.233539580  -6.10124445 -10.233530 -5.2248354 -8.733510020 -5.21593904 -7.7284050! -3.49806905 -2.726537470" -3.39679646 -1.731678720# -2.68713236 -3.311671260$ -2.68185735 -4.312105180% -1.73105586 -4.621995450& -1.14380372 -3.81073880' -1.73205113 -2.999999760( -2.13936996 -2.086713790) -0.866025686 -2.499999760*-2.98023224e-07 -2.999999760+ -0.866025567 -1.499999760,-4.28310649e-08-10-000. -0.867500126 0.49750030/ -0.867499888 1.50270033001.96501929e-07 2.0104000601 0.867500126 1.5027000902 0.867500007 0.49750000203 -6.23072815 -0.75222623304 -1.51554465 -1.12499988053.74800919e-07 3.01040006060708090:0;0<0=0>0?0@0A0B0C0D0E0F0G0H0I0J0K0L0M0N0O0P0Q0R0S0T0U0V0W0X094             !" #!$!"%!#&#''#$($%)%&*&'+'(,')-)*.)+/+,0,-1-22-.3./4/0501612738+4905:6 ;7$<8$=9%>:%?;&@<&A=,B>,C?-D@.EA.FB/GC/HD1IE1JF2KG2LHMINJOKPL QM RN SOTPUQVRWSXTYUZV[W\X]03'&(#H00000000-0000-0000-0000-0000000000004@ Q@ @߄,mFݽJ&_8'n f/@ީp e~ CHEMBL21321?[~EAN^O=C(OC1CN2CCC1CC2)C3=C\C(=C/c4cccnc4)\c5ccccc35OSA$0e2300ee-fb4e-41da-bc3c-fb432ead721349-0.00289845467 -1.999997970 0.863850594 -1.501253490 0.865299821 -0.5012545590000-3.97424117e-07 1.403100010 -1.21100032 2.111900090 -2.42200017 1.403099890 -2.421999937.17429671e-090 -1.21099997 -0.6945000290 -0.458900839 -0.03539985420 -0.4307005111.36780 1.72915041 -2.002508160 1.83301365 -3.004294630 2.8177352 -3.214914560 3.22316027 -4.129042630 2.6342144 -4.937215330 1.63965964 -4.83269930 1.04718292 -5.638325690 1.45338261 -6.557797910 2.45205903 -6.671643730 3.04041409 -5.856687550 3.32264042 -2.343609570 4.30782557 -2.141627310 4.61436558 -1.183807130 3.94240165 -0.4354101120 2.96389747 -0.6448332070 2.64980769 -1.59424520 3.96893835 -4.2085094500000 0!0"0#0$0%0&0'0(0)0*0+0,0-0.0/00053              !"# $!%"&#'$ (% )& *' +( ,)-*.+/,0-1.2/30400H00000000-0000-0000-0000-0000000000004@ Q@ff`@@HF#-ozV'n f/@ީp e~ CHEMBL21328?[~EANZCN(C)CCN(C)C(=O)C1=C\C(=C/c2cccnc2)\c3ccccc13OSA$adfa0e82-6b6f-4f4f-81a5-82cd834b6ca648 -3.5244205 -4.659297940 -2.5300498 -4.765255930 -2.12462664 -5.679385190 -1.94110227 -3.957084420 -0.946731687 -4.063042160 -0.357784331 -3.254870650 -0.763207674 -2.340741630 0.636586308 -3.36082840 1.04200935 -4.274957660 1.22553372 -2.552656890 0.915718734 -1.594336630 1.7313478 -1.003755210 1.73279893-0.003756225110 0.867500007 0.4975000020000 -0.867500126 0.49750030 -0.867499888 1.5027003301.96501929e-07 2.010400060 0.867500126 1.502700090 2.54528546 -1.596719980 3.52807045 -1.383365150 4.19552088 -2.135626080 3.88329053 -3.091735840 2.90360999 -3.295584680 2.23265171 -2.55406570 2.38286138 0.3703009190000000 0!0"0#0$0%0&0'0(0)0*0+0,0-0.0/050               ! "!#"$#%$&%'&(' )(*)+*,+-,.-/.0/100H00000000-0000-0000-0000-0000000000004@ Q@2`@}vhI㊺{9'n f/@ީp e~ CHEMBL21509?[~EANHCN(C)CCC1=C\C(=C/c2ccccn2)\c3ccccc13OSA$bd714fb9-f76c-4164-8264-67f16fc080c241 3.31399202 -3.16058660 3.90415096 -2.353299140 4.89836168 -2.460747960 3.50009894 -1.438562990 4.09025764 -0.6312755350 3.68620563 0.2834604680 2.70168567 0.4957892890 2.59954357 1.497589830 1.73499703 2.000142810 0.867500126 1.502700090 0.867500007 0.4975000020 000 -0.867500126 0.49750030 -0.867499888 1.5027003301.96501929e-07 2.010400060 3.5206461 1.904617670 3.82870364 2.861951110 4.81420755 3.062372210 5.48498487 2.312911270 5.17025852 1.363029360 4.19229078 1.154188040 1.7372098 2.7501397100000000000 0!0"0#0$0%0&0'0(043            ! "! #" $# %$ &%'&(')(*00H00000000-0000-0000-0000-0000000000004@ Q@J=p@3{:H@V'n f/@ީp e~ CHEMBL213709?[~EANCCN1CCC(CNC(=O)[C@H]2CCCN2C(=O)[C@@H]3C[C@@H](O)CN3C(=O)CC(c4ccc(F)cc4)(c5ccc(F)cc5)c6ccc(F)cc6)CC1GOSA$7ae36211-d445-495b-959d-e29aee48150195 0.866025567 3.5104000603.81565997e-08 3.01040030-1.96808557e-07 2.01040030 -0.867500067 1.502700090 -0.867500007 0.49750000200001.06404087e-07-10 0.866025567-1.50 0.866025507-2.50 1.7320509-30 0 -2.999999760 0.587269425 -3.809391260 -0.407996982 -2.085193160 -1.40419173 -2.188140150 -1.61121953 -3.166503670 -0.747455716 -3.671288730 -0.570229113 -5.412291530 -1.38116574 -5.997425080 0.341979921 -5.822016720 0.654713869 -4.872176170 1.32079875 -6.034728530 1.42332637 -7.030966760 2.40210366 -6.826040270 1.72859788 -7.983232020 0.507805347 -7.433306220 -0.162636399 -6.690740590 -1.90316582 -6.872555730 -2.31048489 -7.785841460 -2.49043512 -6.063164230 -3.4850235 -6.167058940 -3.30320787 -7.907588480 -2.38396883 -8.31431580 -2.28002334 -9.30893040! -3.085989 -9.900944710 " -2.97771788 -10.89506630# -4.00522804 -9.494217870$ -4.11850119 -8.495476720% -3.66683912 -4.426529410& -4.58607817 -4.019802570' -4.6900239 -3.025188450( -3.884058 -2.433173660 ) -3.99232912 -1.439052340* -2.96481895 -2.839900260+ -2.85154581 -3.838641640, -4.47961187 -6.270953660- -4.88633871 -7.190193180. -5.88095331 -7.294138430/ -6.4729681 -6.488172530 0 -7.46708965 -6.5964436501 -6.06624126 -5.5689334902 -5.06749964 -5.4556603403 0.867500305 0.49750053904 0.867499888 1.5027005705 1.51554453 -1.1249997606 2.4615891 -8.14205170708090:0;0<0=0>0?0@0A0B0C0D0E0F0G0H0I0J0K0L0M0N0O0P0Q0R0S0T0U0V0W0X0Y0Z0[0\0]0^01004            $!" # !$!"%!#&#$'%(%+)%&*&'+'(,()-(*.*+/,0,21,-2-.3./4/05/16127383495:6;7 <8#=9$>:&?;'@<*A=+B>-C?.D@1EA2FB3GC3HD4IE4JFKGLHMINJOKPLQMRNSOTPUQVR WS XT YU ZV[W\X]Y^Z_[`\a]b^c03  H00000000-0000-0000-0000-0000000000004@ Q@dZ @-:A0?0@0A0B0C0D0E0F0G0H0I0J0K0L0M0N0O0P0Q0R0S0T0U0V0W0X0Y0Z0[097             !" #!$!"%!#&#''#$($%)%&*&'+'(,')-)*.)+/+,0,-1-.2.33./4/0501612723849+5:16;7 <8$=9$>:%?;%@<&A=&B>,C?,D@-EA-FB.GC/HD/IE0JF0KG2LH2MI3NJ3OKPLQMRNSO TP UQ VRWSXTYUZV[W\X]Y^Z_[`03'&(#H00000000-0000-0000-0000-0000000000004@ Q?+@4+'@()#~'n f/@ީp e~ CHEMBL21508?[~EANHCN(C)CCC1=C\C(=C/c2cccnc2)\c3ccccc13OSA$001503ad-228b-4d1c-b6a8-ca51d180457f41 -1.9411025 -3.95708370 -0.946731865 -4.063041690 -0.54130888 -4.977170940 -0.357784331 -3.254870650 0.636586308 -3.36082840 1.22553372 -2.552656890 0.915718734 -1.594336630 1.7313478 -1.003755210 1.73279893-0.003756225110 0.867500007 0.4975000020 000 -0.867500126 0.49750030 -0.867499888 1.502700330 1.96501929e-07 2.010400060 0.867500126 1.502700090 2.54528546 -1.596719980 3.52807045 -1.383365150 4.19552088 -2.135626080 3.88329053 -3.091735840 2.90360999 -3.295584680 2.23265171 -2.55406570 2.38286138 0.37030091900000000000 0!0"0#0$0%0&0'0(043            ! "! #" $# %$&%'&(')(*00H00000000-0000-0000-0000-0000000000004@ Q@B3@@9E f[uZT'n f/@ީp e~ CHEMBL214342?[~EANCN1CCC(CNC(=O)[C@H]2CCCN2C(=O)[C@@H]3C[C@@H](O)CN3C(=O)CC(c4ccc(F)cc4)(c5ccc(F)cc5)c6ccc(F)cc6)CC1OSA$73aa93bf-5dd4-468e-8473-88dc10563b3a923.81565997e-08 3.01040030-1.96808557e-07 2.01040030 -0.867500067 1.502700090 -0.867500007 0.49750000200001.06404087e-07-10 0.866025567-1.50 0.866025507-2.50 1.7320509-30 0 -2.999999760 0.587269425 -3.809391260 -0.407996982 -2.085193160 -1.40419173 -2.188140150 -1.61121953 -3.166503670 -0.747455716 -3.671288730 -0.570229113 -5.412291530 -1.38116574 -5.997425080 0.341979921 -5.822016720 0.654713869 -4.872176170 1.32079875 -6.034728530 1.42332637 -7.030966760 2.40210366 -6.826040270 1.72859788 -7.983232020 0.507805347 -7.433306220 -0.162636399 -6.690740590 -1.90316582 -6.872555730 -2.31048489 -7.785841460 -2.49043512 -6.063164230 -3.4850235 -6.167058940 -3.30320787 -7.907588480 -2.38396883 -8.31431580 -2.28002334 -9.30893040 -3.085989 -9.900944710 ! -2.97771788 -10.89506630" -4.00522804 -9.494217870# -4.11850119 -8.495476720$ -3.66683912 -4.426529410% -4.58607817 -4.019802570& -4.6900239 -3.025188450' -3.884058 -2.433173660 ( -3.99232912 -1.439052340) -2.96481895 -2.839900260* -2.85154581 -3.838641640+ -4.47961187 -6.270953660, -4.88633871 -7.190193180- -5.88095331 -7.294138430. -6.4729681 -6.488172530 / -7.46708965 -6.5964436500 -6.06624126 -5.5689334901 -5.06749964 -5.4556603402 0.867500305 0.49750053903 0.867499888 1.5027005704 1.51554453 -1.1249997605 2.4615891 -8.1420517060708090:0;0<0=0>0?0@0A0B0C0D0E0F0G0H0I0J0K0L0M0N0O0P0Q0R0S0T0U0V0W0X0Y0Z0[0973           # !" # !$ "%"#&$'$*($%)%&*&'+'(,')-)*.+/+10+,1,-2-.3./4.0501627238495:6";7#<8%=9&>:)?;*@<,A=-B>0C?1D@2EA2FB3GC3HDIEJFKGLHMINJOKPLQMRN SO TP UQ VR WS XTYUZV[W\X]Y^Z_[`03  H00000000-0000-0000-0000-0000000000004@ Q?@"ZB8I(y`'n f/@ީp e~ CHEMBL214898?[~EANO[C@@H]1C[C@H](N(C1)C(=O)CC(c2ccc(F)cc2)(c3ccc(F)cc3)c4ccc(F)cc4)C(=O)N5CCC[C@@H]5C(=O)NCC6CCN(CC7CCCC7)CC6OSA$5e33059d-db97-46bf-9b02-25512aa883fb105 -4.76877928 -3.590856080 -4.66836262 -4.58580160 -5.66835737 -4.582552910 -3.68771505 -4.382496830 -3.18917131 -5.251281740 -2.52295208 -5.997037890 -3.86480141 -5.99481630 -4.77524519 -5.580101490 -3.66329813 -6.97430420 -2.71428514 -7.289541240 -4.41080761 -7.638555050 -4.20930433 -8.618042950 -5.92340803 -8.970674510 -6.58889389 -8.217310910 -7.56842184 -8.418773650 -7.8892169 -9.365955350  -8.86958218 -9.563145640 -7.22373152 -10.1193190 -6.2374506 -9.925500870 -2.49520087 -8.265411380 -1.82971513 -9.018774990 -0.850187182 -8.817312240 -0.529391885 -7.870130540  0.450973213 -7.672940250 -1.19487727 -7.116767410 -2.18115807 -7.31058550 -4.00780058 -9.597530360 -4.76116371 -10.26301670 -4.55970097 -11.24254420 -3.6125195 -11.56333920  -3.41532898 -12.5437040 -2.85915637 -10.89785390 -3.0529747 -9.911573410! -2.37823462 -4.666147710" -1.46602547 -5.075872420# -2.47950697 -3.671288970$ -3.34327054 -3.166503670% -3.13624263 -2.188140150& -2.14004779 -2.085193160' -1.73205113 -2.999999760( -1.14478171 -3.809391260) -0.866025686 -2.499999760*-2.98023224e-07 -2.999999760+ -0.866025567 -1.499999760,-4.28310649e-08-10-000. -0.867500126 0.49750030/ -0.867499888 1.50270033001.96501929e-07 2.01040006013.74800919e-07 3.0104000602 -0.866024911 3.510400303 -1.78145409 3.1038777804 -2.45250845 3.8471732105 -1.95134532 4.7125582706 -0.971976817 4.5092468307 0.867500126 1.5027000908 0.867500007 0.49750000209 -5.45267153 -3.2829740: -1.51554465 -1.124999880;0<0=0>0?0@0A0B0C0D0E0F0G0H0I0J0K0L0M0N0O0P0Q0R0S0T0U0V0W0X0Y0Z0[0\0]0^0_0`0a0b0c0d0e0f0g0h0111             !" #!$!"%!#&#''#$($%)%&*&'+'(,')-)*.)+/+,0,-1-82-.3./4/0501612726823934:45;56<07=78>9?+:@; A<$B=$C>%D?%E@&FA&GB,HC,ID-JE.KF.LG/MH/NI1OJ1PK2QL3RM3SN4TO4UP5VQ5WR6XS6YT7ZU7[V8\W8]X^Y_Z`[a\ b] c^ d_e`fagbhcidjekflgmhn03'&(#H00000000-0000-0000-0000-0000000000004@ Q?@(] FqիǗ:'n f/@ީp e~ CHEMBL168704?[~EANJCCN(CC)CCC1=C(C(C)c2ccccn2)c3ccccc3C1BOSA$cd1e1d10-6d30-471a-91c2-0af71eda6f0952 2.67027426 6.179755690 2.45956874 5.202206130 3.20079875 4.530954840 4.15273428 4.837253090 4.36344004 5.814802650 2.99009299 3.553405280 3.73132277 2.882153990 3.52061701 1.904604430 2.59954357 1.497589830 1.73499703 2.000142810 1.73794734 3.000138520 0.867500126 1.502700090 0.867500007 0.4975000020 000 -0.867500126 0.49750030 -0.867499888 1.5027003301.96501929e-07 2.0104000602.701689 0.4957572520 2.02225566 -0.2456986610 2.3358047 -1.201247450 3.31901169 -1.413232560 3.98866963 -0.6696690320 3.68616676 0.2834981080 4.19234276 1.15417278000000000 0!0"0#0$0%0&0'0(0)0*0+0,0-0.0/00010203054          ! "!#"$#%$&%'& (' )( *) +* ,+ -,.-/.0/10213243500H00000000-0000-0000-0000-0000000000004@ Q@}陠@"얰[DOm27'n f/@ީp e~ CHEMBL106259?[~EANlCCN(C)C(=O)c1c(C)[nH]c2ccc3OC4N(CCc5cc(OC)ccc45)Cc3c12 OSA$4a6e2a12-600c-45ef-a891-f0fd82751dd557 4.33275318 7.369512560 4.0756011 6.40314150 4.78392696 5.697255610 5.74940491 5.957741260 4.52677488 4.730884550 3.56129694 4.470399380 5.23510075 4.024999140 6.99440098 4.024998660 7.70150805 4.732105260 6.9944005 3.009298320 6.11480045 2.501398560 6.11499977 1.493398550 5.24179983 0.9865990880 4.3599 1.493799450 3.48769975 0.9938996430 2.61619997 1.498299840 2.62199998 2.510999920 1.74919999 3.020200010 0.870099902 2.518100020 0.874300003 1.503700020 0.00379991555 1.005200030000 -0.8669433 -0.4984068270 -0.868782043 -1.498405220 0.874199808 -0.504599810 1.74119973-0.003199815750 1.74269986 0.9968001250 3.4958005 3.013399360 4.36660051 2.504599330 5.23860073 3.010899070 7.64392948 2.6343154900 0!0"0#0$0%0&0'0(0)0*0+0,0-0.0/000102030405060708061              ! "# $!%"&#'$(%)&*'+(,)-* .+ /,0-1.2/30415263748596:7;8<00H00000000-0000-0000-0000-0000000000004@ Q@I@!7[Ik'vџ'n f/@ީp e~ CHEMBL106505?[~EANjCCCCOC(=O)c1c(C)[nH]c2ccc3OC4N(CCc5cc(OC)ccc45)Cc3c12 OSA$ac171198-9867-40f5-a351-4057420e34c659 3.8815794 9.041769030 3.62442732 8.075398450 4.33275318 7.369512560 4.0756011 6.40314150 4.78392696 5.697255610 4.52677488 4.730884550 3.56129694 4.470399380 5.23510075 4.024999140 6.99440098 4.024998660 7.70150805 4.732105260 6.9944005 3.009298320 6.11480045 2.501398560 6.11499977 1.493398550 5.24179983 0.98659908804.3599 1.493799450 3.48769975 0.9938996430 2.61619997 1.498299840 2.62199998 2.510999920 1.74919999 3.020200010 0.870099902 2.518100020 0.874300003 1.503700020 0.00379991555 1.005200030000 -0.8669433 -0.4984068270 -0.868782043 -1.498405220 0.874199808 -0.504599810 1.74119973-0.003199815750 1.74269986 0.9968001250 3.4958005 3.013399360 4.36660051 2.504599330 5.23860073 3.010899070 7.64392948 2.634315490 0!0"0#0$0%0&0'0(0)0*0+0,0-0.0/000102030405060708090:063             !" # $!%"&#'$(%)&*'+(,) -* .+ /, 0- 1.2/30415263748596:7;8<9=:>00H00000000-0000-0000-0000-0000000000004@ Q@xᙠ@A0ʶR'n f/@ީp e~ CHEMBL168223?[~EANLCN(C)CCNC(=O)C1=C(Cc2ccncc2)c3ccccc3C1OSA$80d4f961-d81e-43d2-b4a4-02b9a4c3838f47 4.11158085 -3.581362720 3.16055346 -3.890468360 2.9527328 -4.868635180 2.41734648 -3.221406940 1.46631873 -3.530512330 0.723111808 -2.861450670 -0.227915883 -3.170556070 -0.435736358 -4.148723130 -0.971122861 -2.501494650 -0.866025448-1.50 -4.28310649e-08-10 000 -0.867500126 0.49750030 -0.867499888 1.5027003301.96501929e-07 2.010400060 0.867500126 1.502700090 0.867500007 0.4975000020 -1.78592324 -1.090255980 -2.09115481 -0.1320180150 -3.07606316 0.07130981980 -3.74904871 -0.676168680 -3.43712616 -1.626975060 -2.45977879 -1.838700890 -1.95626485 -2.710917710 0.878977537 -2.127825500000000 0!0"0#0$0%0&0'0(0)0*0+0,0-0.049            ! "!#"$# %$ &% '& (')(*)+*,+-,.-/.000H00000000-0000-0000-0000-0000000000004@ Q@7p@vt}O C80'n f/@ީp e~ CHEMBL107444?[~EANfCCOC(=O)c1c(C)n(C)c2ccc3OC4N(CCc5cc(OC)ccc45)Cc3c12 SOSA$0a46db9e-b4d1-4b01-9611-e40d3961b48656 4.33275318 7.369512560 4.0756011 6.40314150 4.78392696 5.697255610 4.52677488 4.730884550 3.56129694 4.470399380 5.23510075 4.024999140 6.99440098 4.024998660 7.70150805 4.732105260 6.9944005 3.009298320 7.8604393 2.509321210 6.11480045 2.501398560 6.11499977 1.493398550 5.24179983 0.9865990880 4.3599 1.493799450 3.48769975 0.9938996430 2.61619997 1.498299840 2.62199998 2.510999920 1.74919999 3.020200010 0.870099902 2.518100020 0.874300003 1.503700020 0.00379991555 1.005200030000 -0.8669433 -0.4984068270 -0.868782043 -1.498405220 0.874199808 -0.504599810 1.74119973-0.003199815750 1.74269986 0.9968001250 3.4958005 3.013399360 4.36660051 2.504599330 5.23860073 3.01089907000 0!0"0#0$0%0&0'0(0)0*0+0,0-0.0/0001020304050607060              !"# $!%"&#'$(%)& *' +( ,) -* .+/,0-1.2/30415263748596:7;00H00000000-0000-0000-0000-0000000000004@ Q@p3@@pB_g'n f/@ީp e~ CHEMBL1184?[~EAN(CC(=O)OCC[N+](C)(C)COSA$cdcb41e2-2a1c-4df5-bc2b-f86db5c0ff70260001001.5 -0.86602538801.5 0.86602538802.5 0.86602520903 1.7320506604 1.7320505414 2.732050420 3.99999976 0.7320505380 5 1.73205030 0 0 0 000000000000025          00H00000000-0000-0000-0000-0000000000004@ Q@Y3@@I}Lt8}'n f/@ީp e~ CHEMBL123510?[~EAN>Oc1ccc(cc1)c2ccoc2C3=CN4CCC3CC4mOSA$e93168d0-6529-4812-842c-7819690845b937 2.62300539 3.819671870 2.40960383 2.84270740 3.15481734 2.168108460 2.94145608 1.19110310 1.99044299 0.8818513150 1.24522936 1.556450610 1.45102894 2.540301080 1.78134358 -0.09604302790 2.4514606 -0.8403180840 1.94912958 -1.705025670 0.969821095 -1.500451330 0.865299821 -0.5012545590 000 -3.97424117e-07 1.403100010 -1.21100032 2.111900090 -2.42200017 1.403099890 -2.421999937.17429671e-090 -1.21099997 -0.6945000290 -0.458900839 -0.03539985420 -0.4307005111.36780 2.06847405 4.32464218000000000000 0!0"0#0$040               !" #!$"%#&$'00H00000000-0000-0000-0000-0000000000004@ Q?Xm@p({SO%z'n f/@ީp e~ CHEMBL107679?[~EANhCCOC(=O)c1c(C)n(CC)c2ccc3OC4N(CCc5cc(OC)ccc45)Cc3c12 OSA$df8dff1e-659a-407b-a53e-06007ecae91159 4.33275318 7.369512560 4.0756011 6.40314150 4.78392696 5.697255610 4.52677488 4.730884550 3.56129694 4.470399380 5.23510075 4.024999140 6.99440098 4.024998660 7.70150805 4.732105260 6.9944005 3.009298320 7.8604393 2.509321210 8.72645187 3.00934410 6.11480045 2.501398560 6.11499977 1.493398550 5.24179983 0.98659908804.3599 1.493799450 3.48769975 0.9938996430 2.61619997 1.498299840 2.62199998 2.510999920 1.74919999 3.020200010 0.870099902 2.518100020 0.874300003 1.503700020 0.00379991555 1.005200030000 -0.8669433 -0.4984068270 -0.868782043 -1.498405220 0.874199808 -0.504599810 1.74119973-0.003199815750 1.74269986 0.9968001250 3.4958005 3.013399360 4.36660051 2.504599330 5.23860073 3.0108990700 0!0"0#0$0%0&0'0(0)0*0+0,0-0.0/000102030405060708090:063            !"# $!%"&#'$(%)&*' +( ,) -* .+ /, 0- 1.2/30415263748596:7;8<9=:>00H00000000-0000-0000-0000-0000000000004@ Q@xᙠ@S.N 'I](22'n f/@ީp e~ CHEMBL106224?[~EANbCCCc1c(C(=O)OCC)c2c3CN4CCc5cc(OC)ccc5C4Oc3ccc2n1C /OSA$22a9f6e0-8121-4d6f-bdb0-6c7cae062ff962 8.14979458 6.405138970 7.44268799 5.698032380 7.70150709 4.732106690 6.99440002 4.02500010 5.23509979 4.02500010 4.52677393 4.730885510 4.78392601 5.697256570 3.56129599 4.470400330 2.85297036 5.176286220 1.88749254 4.915801050 5.23859978 3.010900020 4.36660004 2.504600050 3.49580002 3.013400080 2.62199998 2.510999920 1.74919999 3.020200010 0.870099902 2.518100020 0.874300003 1.503700020 0.00379991555 1.005200030000 -0.8669433 -0.4984068270 -0.868782043 -1.498405220 0.874200344 -0.5046002270 1.74120009-0.003200054170 1.74269998 0.9967998270 2.61619997 1.498299720 3.48769999 0.99389976304.3599 1.493799920 5.24180031 0.9866001610 6.11500025 1.493400220 6.11479998 2.501399990 6.99440002 3.009299990 7.86043882 2.509323120 0!0"0#0$0%0&0'0(0)0*0+0,0-0.0/000102030405060708090:0;0<0=066               !"# $!%"&#'$(%)&*'+(,) -* .+ /, 0- 1.2/30415263748596:7;8<9=:>;?<@=A00H00000000-0000-0000-0000-0000000000004@ Q@rq@26cJ9^'n f/@ީp e~ CHEMBL104574?[~EANpCOc1ccc2C3Oc4ccc5[nH]c(C)c(C(=O)OCc6ccccc6)c5c4CN3CCc2c1 IOSA$3abe30e3-57a8-438a-b474-ef43df805b6f60 -1.73204803 0.003184616570 -0.8669433 -0.4984068270000 0.874200344 -0.5046002270 1.74120009-0.003200054170 1.74269998 0.9967998270 2.61619997 1.498299720 3.48769999 0.99389976304.3599 1.493799920 5.24180031 0.9866001610 6.11500025 1.493400220 6.11479998 2.501399990 6.99440002 3.009299990 6.99440002 4.02500010 7.70150709 4.732106690 5.23509979 4.02500010 4.52677393 4.730885510 3.56129599 4.470400330 4.78392601 5.697256570 4.07560015 6.403141980 4.33275223 7.369513030 5.30401897 7.628488540 5.56122541 8.594877240 4.85702085 9.304918290 3.88575411 9.045943260 3.61869216 8.076926230 5.23859978 3.010900020 4.36660004 2.504600050 3.49580002 3.013400080 2.62199998 2.510999920 1.74919999 3.020200010 0.870099902 2.518100020 0.874300003 1.503700020! 0.00379991555 1.005200030"7.643929 2.634317160#0$0%0&0'0(0)0*0+0,0-0.0/000102030405060708090:0;065!               !"#$ % !& "'#!($)%*&+',(-).* /+ 0,1-2.3/405162738495:6;7<8=9>:?;@00H00000000-0000-0000-0000-0000000000004@ Q@f`@ARVIh̳'n f/@ީp e~ CHEMBL104693?[~EANfCCCc1[nH]c2ccc3OC4N(CCc5cc(SC)ccc45)Cc3c2c1C(=O)OCC OSA$d1bfb198-61a3-4bc7-9d98-32cb0444cdc659 8.14979553 6.405137540 7.44268894 5.698030950 7.70150805 4.732105260 6.99440098 4.024998660 6.9944005 3.009298320 6.11480045 2.501398560 6.11499977 1.493398550 5.24179983 0.98659908804.3599 1.493799450 3.48769975 0.9938996430 2.61619997 1.498299840 2.62199998 2.510999920 1.74919999 3.020200010 0.870099902 2.518100020 0.874300003 1.503700020 0.00379991555 1.005200030000 -0.8669433 -0.4984068270 -0.868782043 -1.498405220 0.874199808 -0.504599810 1.74119973-0.003199815750 1.74269986 0.9968001250 3.4958005 3.013399360 4.36660051 2.504599330 5.23860073 3.010899070 5.23510075 4.024999140 4.52677488 4.730884550 4.78392696 5.697255610 3.56129694 4.470399380 2.85297132 5.176285270 1.88749349 4.915800090 7.64392948 2.634315490 0!0"0#0$0%0&0'0(0)0*0+0,0-0.0/000102030405060708090:063              !"# $!%"&#'$(%)&*'+(,) -* .+ /, 0- 1.2/30415263748596:7;8<9=:>00H00000000-0000-0000-0000-0000000000004@ Q@yvf`@p;@2q] 'n f/@ީp e~ CHEMBL106218?[~EANhCCOC(=O)c1c(CC)n(C)c2ccc3OC4N(CCc5cc(OC)ccc45)Cc3c12 OSA$2dc4cead-560a-4a82-8799-b879abf6f36259 4.33275318 7.369512560 4.0756011 6.40314150 4.78392696 5.697255610 4.52677488 4.730884550 3.56129694 4.470399380 5.23510075 4.024999140 6.99440098 4.024998660 7.70150805 4.732105260 7.44268942 5.698030950 6.9944005 3.009298320 7.8604393 2.509321210 6.11480045 2.501398560 6.11499977 1.493398550 5.24179983 0.98659908804.3599 1.493799450 3.48769975 0.9938996430 2.61619997 1.498299840 2.62199998 2.510999920 1.74919999 3.020200010 0.870099902 2.518100020 0.874300003 1.503700020 0.00379991555 1.005200030000 -0.8669433 -0.4984068270 -0.868782043 -1.498405220 0.874199808 -0.504599810 1.74119973-0.003199815750 1.74269986 0.9968001250 3.4958005 3.013399360 4.36660051 2.504599330 5.23860073 3.0108990700 0!0"0#0$0%0&0'0(0)0*0+0,0-0.0/000102030405060708090:063            !"# $!%"&#'$(%)&*'+(,) -* .+ /, 0- 1.2/30415263748596:7;8<9=:>00H00000000-0000-0000-0000-0000000000004@ Q@t9@DMM~4уQ'n f/@ީp e~ CHEMBL104803?[~EANfCOc1ccc2C3Oc4ccc5[nH]c(C)c(c6onc(C)n6)c5c4CN3CCc2c1 OSA$b29dd1dc-b54e-469c-a9cc-443ef5fc5a4352 -1.73204803 0.003184616570 -0.8669433 -0.4984068270000 0.874200344 -0.5046002270 1.74120009-0.003200054170 1.74269998 0.9967998270 2.61619997 1.498299720 3.48769999 0.99389976304.3599 1.493799920 5.24180031 0.9866001610 6.11500025 1.493400220 6.11479998 2.501399990 6.99440002 3.009299990 6.99440002 4.02500010 7.70150709 4.732106690 5.23509979 4.02500010 4.52677393 4.730885510 3.53945756 4.569687840 3.08255672 5.464362140 3.79155183 6.171800140 3.63501143 7.159471510 4.68449163 5.718301770 5.23859978 3.010900020 4.36660004 2.504600050 3.49580002 3.013400080 2.62199998 2.510999920 1.74919999 3.020200010 0.870099902 2.518100020 0.874300003 1.503700020 0.00379991555 1.0052000307.643929 2.6343171600 0!0"0#0$0%0&0'0(0)0*0+0,0-0.0/00010203057              !" #$ %!&"'#($)% *& +',(-).*/+0,1-2.3/40516273800H00000000-0000-0000-0000-0000000000004@ Q@dFf`@EUD3'n f/@ީp e~ CHEMBL104804?[~EANdCOc1ccc2C3Oc4ccc5[nH]c(C)c(Cc6ccccc6)c5c4CN3CCc2c1 OSA$132a6f34-ef69-4373-b0c1-c22a49d369f557 -1.73204803 0.003184616570 -0.8669433 -0.4984068270000 0.874200344 -0.5046002270 1.74120009-0.003200054170 1.74269998 0.9967998270 2.61619997 1.498299720 3.48769999 0.99389976304.3599 1.493799920 5.24180031 0.9866001610 6.11500025 1.493400220 6.11479998 2.501399990 6.99440002 3.009299990 6.99440002 4.02500010 7.70150709 4.732106690 5.23509979 4.02500010 4.52677393 4.730885510 4.78392601 5.697256570 5.75519228 5.956232070 6.01239872 6.922620770 5.30819416 7.632661820 4.33692741 7.373686310 4.0698657 6.404669760 5.23859978 3.010900020 4.36660004 2.504600050 3.49580002 3.013400080 2.62199998 2.510999920 1.74919999 3.020200010 0.870099902 2.518100020 0.874300003 1.503700020 0.00379991555 1.0052000307.643929 2.634317160 0!0"0#0$0%0&0'0(0)0*0+0,0-0.0/000102030405060708062              !"# $ %!&"'#($)%*& +' ,(-).*/+0,1-2.3/405162738495:6;7<8=00H00000000-0000-0000-0000-0000000000004@ Q@f`@`E{Lҳܒ'n f/@ީp e~ CHEMBL105945?[~EANdCOC(=O)c1c(C)n(C)c2ccc3OC4N(CCc5cc(OC)ccc45)Cc3c12OSA$11015372-eb1f-48c2-ad94-e6f76aa3999453 2.85297132 5.176284310 3.56129718 4.47039890 4.52677488 4.730884550 4.78392649 5.697255610 5.23510075 4.024999140 6.99440098 4.024998660 7.70150805 4.732105260 6.9944005 3.009298320 7.8604393 2.509321210 6.11480045 2.501398560 6.11499977 1.493398550 5.24179983 0.9865990880 4.3599 1.493799450 3.48769975 0.9938996430 2.61619997 1.498299840 2.62199998 2.510999920 1.74919999 3.020200010 0.870099902 2.518100020 0.874300003 1.503700020 0.00379991555 1.005200030000 -0.8669433 -0.4984068270 -0.868782043 -1.498405220 0.874199808 -0.504599810 1.74119973-0.003199815750 1.74269986 0.9968001250 3.4958005 3.013399360 4.36660051 2.504599330 5.23860073 3.010899070000 0!0"0#0$0%0&0'0(0)0*0+0,0-0.0/0001020304057              !"# $!%"&#'$(%)& *' +(,)-*.+/,0-1.2/3041526374800H00000000-0000-0000-0000-0000000000004@ Q@q6f`@GIA8]'n f/@ީp e~ CHEMBL105122?[~EANfCCOC(=O)c1c(C)[nH]c2ccc3OC4N(CCc5cc(SC)ccc45)Cc3c12 OSA$e7d66645-3ad5-4aee-935b-8c1ea8b2965c53 4.33275318 7.369512560 4.0756011 6.40314150 4.78392696 5.697255610 4.52677488 4.730884550 3.56129694 4.470399380 5.23510075 4.024999140 6.99440098 4.024998660 7.70150805 4.732105260 6.9944005 3.009298320 6.11480045 2.501398560 6.11499977 1.493398550 5.24179983 0.9865990880 4.3599 1.493799450 3.48769975 0.9938996430 2.61619997 1.498299840 2.62199998 2.510999920 1.74919999 3.020200010 0.870099902 2.518100020 0.874300003 1.503700020 0.00379991555 1.005200030000 -0.8669433 -0.4984068270 -0.868782043 -1.498405220 0.874199808 -0.504599810 1.74119973-0.003199815750 1.74269986 0.9968001250 3.4958005 3.013399360 4.36660051 2.504599330 5.23860073 3.010899070 7.64392948 2.63431549000 0!0"0#0$0%0&0'0(0)0*0+0,0-0.0/0001020304057              !"# $!%"&#'$(%)& *' +(,)-*.+/,0-1.2/3041526374800H00000000-0000-0000-0000-0000000000004@ Q@3@@DTD9KIN'n f/@ީp e~ CHEMBL105674?[~EANfCCOC(=O)c1c(C)[nH]c2ccc3OC4N(CCc5cc(Cl)ccc45)Cc3c12uOSA$179f8499-89ba-48c0-9705-24dcc400807e49 4.33275318 7.369512560 4.0756011 6.40314150 4.78392696 5.697255610 4.52677488 4.730884550 3.56129694 4.470399380 5.23510075 4.024999140 6.99440098 4.024998660 7.70150805 4.732105260 6.9944005 3.009298320 6.11480045 2.501398560 6.11499977 1.493398550 5.24179983 0.9865990880 4.3599 1.493799450 3.48769975 0.9938996430 2.61619997 1.498299840 2.62199998 2.510999920 1.74919999 3.020200010 0.870099902 2.518100020 0.874300003 1.503700020 0.00379991555 1.005200030000 -0.8669433 -0.4984068270 0.874199808 -0.504599810 1.74119973-0.003199815750 1.74269986 0.9968001250 3.4958005 3.013399360 4.36660051 2.504599330 5.23860073 3.010899070 7.64392948 2.634315490000 0!0"0#0$0%0&0'0(0)0*0+0,0-0.0/00053              !"# $!%"&#'$(% )& *'+(,)-*.+/,0-1.2/30400H00000000-0000-0000-0000-0000000000004@ Q@gFf`@<L@bѪX'n f/@ީp e~ CHEMBL124017?[~EANJCOC(=O)c1ccc(cc1)c2ccoc2C3=CN4CCC3CC4'OSA$9827171d-844a-420f-a3ff-16ef11d3ef8742 2.09703159 5.46992970 1.88363004 4.492965220 2.62300539 3.819671870 3.5757823 4.123342990 2.40960383 2.84270740 3.15481734 2.168108460 2.94145608 1.19110310 1.99044299 0.8818513150 1.24522936 1.556450610 1.45102894 2.540301080 1.78134358 -0.09604302790 2.4514606 -0.8403180840 1.94912958 -1.705025670 0.969821095 -1.500451330 0.865299821 -0.5012545590000-3.97424117e-07 1.403100010 -1.21100032 2.111900090 -2.42200017 1.403099890 -2.421999937.17429671e-090 -1.21099997 -0.6945000290 -0.458900839 -0.03539985420 -0.4307005111.36780000000000 0!0"0#0$0%0&0'0(0)045               ! " #!$"%#&$'%(&)'*(+),00H00000000-0000-0000-0000-0000000000004@ Q?i@fiN0,o'n f/@ީp e~ CHEMBL145081?[~EAN8OC1(CN2CCC1CC2)c3csc4ccccc34 OSA$af5d503e-f247-476c-ad86-0d97342740a635 0.98497498 0.1726968880000-3.97424117e-07 1.403100010 -1.21100032 2.111900090 -2.42200017 1.403099890 -2.421999937.17429671e-090 -1.21099997 -0.6945000290 -0.458900839 -0.03539985420 -0.4307005111.36780 0.340204328 -0.9403514860 -0.224570602 -1.774253130 0.394002616 -2.568862680 1.34100866 -2.226308350 2.22530818 -2.705372330 3.07606196 -2.168990370 3.04285312 -1.163738850 2.15889049 -0.6948693990 1.30776036 -1.219857690 1.24217069 0.87721818700000000000000 0!0"038              ! " #!$"%00H00000000-0000-0000-0000-0000000000004@ Q@z@OvJηu#'n f/@ީp e~ CHEMBL145301?[~EAN8OC1(CN2CCC1CC2)c3oc4ccccc4c3 OSA$5057b3e7-3021-4805-95b8-fc94e70f354235 0.98497498 0.1726968880000-3.97424117e-07 1.403100010 -1.21100032 2.111900090 -2.42200017 1.403099890 -2.421999937.17429671e-090 -1.21099997 -0.6945000290 -0.458900839 -0.03539985420 -0.4307005111.36780 0.340204328 -0.9403514860 -0.224453375 -1.774137140 0.393891215 -2.56900430 0.211432159 -3.558042530 0.984390438 -4.201488970 1.93021595 -3.859366660 2.10308313 -2.873797890 1.34084499 -2.226473810 1.30778742 -1.219897510 1.24217069 0.87721818700000000000000 0!0"038              ! " #!$"%00H00000000-0000-0000-0000-0000000000004@ Q@@V{NGSEQ}'n f/@ީp e~ CHEMBL128035?[~EANBCc1oc(C2=CN3CCC2CC3)c(c1)c4ccccc4OSA$1712dee0-f825-4e75-8657-1bf03aa5ffb939 2.35624361 -2.618402960 1.94912958 -1.705025670 0.969821095 -1.500451330 0.865299821 -0.5012545590000-3.97424117e-07 1.403100010 -1.21100032 2.111900090 -2.42200017 1.403099890 -2.421999937.17429671e-090 -1.21099997 -0.6945000290 -0.458900839 -0.03539985420 -0.4307005111.36780 1.78134358 -0.09604302790 2.4514606 -0.8403180840 1.99044299 0.8818513150 1.24226737 1.553163890 1.45132637 2.531098840 2.40096903 2.844533210 3.14914465 2.173220870 2.94767761 1.188474060000000000000 0!0"0#0$0%0&042                  ! " #! $"%#&$'%(&)00H00000000-0000-0000-0000-0000000000004@ Q?j*M@N@-_Lxpܬ'n f/@ީp e~ CHEMBL145488?[~EAN,C1CN2CCC1C(=C2)c3cocc3kOSA$0f26933b-1383-4eb3-ac40-1ea010bfcc5426000 0.0282000322 1.403200270 -0.75210005 2.147300240 -1.96309996 1.438500170 -1.96309996 0.03540010380 -0.752099991 -0.6591000560 0.458900541 0.03540050980 0.458900124 1.438500520 1.32420063 -0.4658536910 1.42627347 -1.462304470 2.40881586 -1.671897770 2.90620375 -0.8038533930 2.23922133 -0.05874252320 000000000000028              00H00000000-0000-0000-0000-0000000000004@ Q@.@5Iƺ}OǷ̌U`'n f/@ީp e~ CHEMBL145533?[~EAN8OC1(CN2CCC1CC2)c3oc4ccccc4n3OSA$14365531-ebc5-40e3-9679-a21f7d8345d034 4.11316061 -0.4826269750 4.28579998 0.5023582580 5.60523558 0.02509464140 6.68369198 0.9227866530 6.42907763 2.302674530 5.10964203 2.779938220 4.04463291 1.877382040 4.40860558 0.9459365010 5.71854258 0.4421200750 3.28579998 0.5022998450 2.69379997 1.31689990 1.73600006 1.005799890 0.867999971 1.513800020 0 1.005800010000 0.867999792 -0.497800440 1.73599982 -0.00120028190 2.69379997 -0.3125002680 4.6881876 -0.9641290900000000000000 0!037              ! " #!$00H00000000-0000-0000-0000-0000000000004@ Q@3`@-lѕFfvj'n f/@ީp e~ CHEMBL167027?[~EANNCOc1ccc2C(=C(CCN(C)C)Cc2c1)C(C)c3ccccn3 OSA$462adb14-c7ee-478b-a05f-e7b9e12f62c450 7.13326693 1.776740190 6.46412992 2.51987910 5.48598433 2.311958790 4.81514454 3.06136370 3.83632731 2.853409770 3.52081275 1.904470320 2.59954357 1.497589830 2.70190263 0.4956483240 1.95685816 -0.1713665130 2.16198778 -1.15010130 1.41694331 -1.817116020 1.6220727 -2.795850750 0.466769397 -1.505395770 3.68630695 0.2835505010 4.19251966 1.15409660 5.17800665 1.354599830 1.73499703 2.000142810 1.73794734 3.000138520 0.867500126 1.502700090 0.867500007 0.4975000020000 -0.867500126 0.49750030 -0.867499888 1.5027003301.96501929e-07 2.01040006000000000 0!0"0#0$0%0&0'0(0)0*0+0,0-0.0/0001052          ! "! #" $# %$ &% '& (' )( *)+*,+-,.-/.0/1021300H00000000-0000-0000-0000-0000000000004@ Q@d@Lb?'n f/@ީp e~ CHEMBL145608?[~EAN,OC1(CN2CCC1CC2)c3cccs3OSA$ce6dbeaf-3f6c-436b-be07-f32d7cc0eb2129 0.98497498 0.1726968880000-3.97424117e-07 1.403100010 -1.21100032 2.111900090 -2.42200017 1.403099890 -2.421999937.17429671e-090 -1.21099997 -0.6945000290 -0.458900839 -0.03539985420 -0.4307005111.36780 0.340204328 -0.9403514860 1.30226517 -1.219227310 1.33671093 -2.220134740 0.395916015 -2.559193130 -0.222400621 -1.772694350 1.24217069 0.87721818700000000000000031             00H00000000-0000-0000-0000-0000000000004@ Q@F}p@9TOJ{ ='n f/@ީp e~ CHEMBL14580?[~EAN*C1CN2CCC1C(C2)c3occc3OSA$1ecc47be-04ee-4686-be67-1ffe5680a3f528000 0.0282000322 1.403200270 -0.75210005 2.147300240 -1.96309996 1.438500170 -1.96309996 0.03540010380 -0.752099991 -0.6591000560 0.458900541 0.03540050980 0.458900124 1.438500520 1.32420063 -0.4658536910 1.4287225 -1.465050580 2.40803123 -1.669623970 2.91036177 -0.8049160240 2.24024415 -0.06064144520 00000000000000030              00H00000000-0000-0000-0000-0000000000004@ Q@1&@`Gwվ'n f/@ީp e~ CHEMBL144751?[~EAN8C1CN2CCC1C(=C2)c3oc4ccccc4n3POSA$b9eca432-8178-4cb9-a620-23021fa654de31 4.6651268 0.7630375030 5.3441577 -0.4652471240 6.39234972 -0.7179265620 7.08486748 0.5024580360 6.38148594 1.716519360 4.98548651 1.710369350 4.28579998 0.5023582580 4.98918152 -0.7117035980 3.28579998 0.5022998450 2.69379997 1.31689990 1.73600006 1.005799890 0.867999971 1.513800020 0 1.005800010 000 0.867999792 -0.497800440 1.73599982 -0.00120028190 2.69379997 -0.31250026800000000000000034                !00H00000000-0000-0000-0000-0000000000004@ Q?q@,+, Ef61!'n f/@ީp e~ CHEMBL1346?[~EANpNC(=O)C([C@@H]1CCN(CCc2ccc3OCCc3c2)C1)(c4ccccc4)c5ccccc5 OSA$4c2f0d0b-abc4-4f65-be6f-b5360c6fe2fa62 0.55016762 -1.651885750 1.50171363 -1.344379430 2.24379492 -2.014689210 1.7111783 -0.366563320000 -0.184306473 -1.740267520 -1.001500494.48416642e-070 -1.30800009 0.9519005420 -0.500699878 1.542800070 -0.5022280812.5427990 -1.36901653 3.041475060 -1.37054455 4.041473870 -2.24163532 4.544302940 -2.24765897 5.550012590 -1.37375891 6.047794340 -1.1643604 7.032840730 -0.162904829 7.138309960 0.246808499 6.218256950 -0.501629591 5.544365880 -0.50547874 4.544355390 0.311799973 0.9518999460 3.42235661 -0.7331265810 4.09394836 0.01479822305.071805 -0.1946261670 5.38488483 -1.144385930 4.71329308 -1.892310620 3.72862172 -1.690475580 2.07774162 1.344614980 1.32981706 2.016207220 1.53924155 2.994063850 2.48900127 3.307143450 3.23692584 2.635551450 3.03509068 1.650879980! 0.393069059 -2.385247950"-0.00639329851 -1.149153350#0$0%0&0'0(0)0*0+0,0-0.0/000102030405060708090:0;0<0=066           !"# $!%"&# '$(%)&*'+( ,) -* .+ /, 0- 1.2/30415263748596:7;8<9=:>;?<@=A01H00000000-0000-0000-0000-0000000000004@ Q?bs @-c2E~䍭'n f/@ީp e~ CHEMBL144247?[~EAN.OC1(CN2CCC1CC2)c3ccccn3EOSA$8bb80502-51aa-4c05-bd4e-953291f7116931 0.98497498 0.1726968880000-3.97424117e-07 1.403100010 -1.21100032 2.111900090 -2.42200017 1.403099890 -2.421999937.17429671e-090 -1.21099997 -0.6945000290 -0.458900839 -0.03539985420 -0.4307005111.36780 0.340204328 -0.9403514860 1.3303107 -1.113894220 1.67057073 -2.054258820 1.03077149 -2.822841640 0.040665403 -2.649298910 -0.309641451 -1.707173350 1.24217069 0.877218187000000000000000033                00H00000000-0000-0000-0000-0000000000004@ Q@;p@فDQ5Ƈ'E'n f/@ީp e~ CHEMBL144693?[~EAN6C1CN2CCC1C(C2)c3oc4ccccc4c3OSA$dbdc0cff-a5ee-49d1-8d06-667570c7722c34000 0.0282000322 1.403200270 -0.75210005 2.147300240 -1.96309996 1.438500170 -1.96309996 0.03540010380 -0.752099991 -0.6591000560 0.458900541 0.03540050980 0.458900124 1.438500520 1.32420063 -0.4658536910 1.42807841 -1.467475530 2.41279054 -1.678439380 2.90918279 -2.553129430 3.91490054 -2.548704390 4.41911268 -1.678415060 3.91760707 -0.8125507830 2.91760421 -0.8071118590 2.24490404 -0.05760340770000000000000000 0!037               ! " #!$00H00000000-0000-0000-0000-0000000000004@ Q? @c9ZI)F*K'n f/@ީp e~ CHEMBL144385?[~EAN8C1CN2CCC1C(=C2)c3coc4ccccc34OSA$e583c801-741f-4796-8305-350fc99f83a032000 0.0282000322 1.403200270 -0.75210005 2.147300240 -1.96309996 1.438500170 -1.96309996 0.03540010380 -0.752099991 -0.6591000560 0.458900541 0.03540050980 0.458900124 1.438500520 1.32420063 -0.4658536910 1.42806327 -1.467639680 2.41278481 -1.678259370 2.91762328 -0.8068799380 3.90287519 -0.6049718260 4.2093482 0.3529227970 3.53738427 1.101319670 2.55894709 0.8918218610 2.24485779 -0.0575902946000000000000000035                !"00H00000000-0000-0000-0000-0000000000004@ Q?@@O3?H.Dr'n f/@ީp e~ CHEMBL144434?[~EAN,Oc1ccccc1C2=CN3CCC2CC3)OSA$301c503e-365b-41a5-a2db-af29a660b2d430 1.73502398 1.002651330 1.73507369 0.002651371760 2.60042453 -0.4985773560 2.60482764 -1.498598810 1.73505425 -2.002504830 0.860877573 -1.506389260 0.865299821 -0.5012545590000-3.97424117e-07 1.403100010 -1.21100032 2.111900090 -2.42200017 1.403099890 -2.421999937.17429671e-090 -1.21099997 -0.6945000290 -0.458900839 -0.03539985420 -0.4307005111.36780 1.08548629 1.3776190300000000000000032                    00H00000000-0000-0000-0000-0000000000004@ Q?s@mj|Id_$'n f/@ީp e~ CHEMBL144580?[~EANNC[N+]12CCC(CC1)C(C2)C3=CC4=C(O3)C=CC=C4=OSA$ebdfd86f-468b-4450-a81d-7df0ff234a5138 -0.7520997523.14730 -0.7520999312.14731 0.0282000322 1.403199910000 -0.752099991 -0.6590998170 -1.96310008 0.03540015220 -1.96310008 1.438500170 0.458900064 0.03540009260 0.458900332 1.438500170 1.32419991 -0.4658545260 2.24490404 -0.05760487170 2.91760349 -0.8071139450 2.41278887 -1.678441170 1.42807686 -1.467476610 2.9091804 -2.553131820 3.91489816 -2.548707490 4.41911125 -1.678418520 3.91760635 -0.812553763000000000000000 0!0"0#0$0%041             !" #! $"%#&$'%(00H00000000-0000-0000-0000-0000000000004@ Q@@KM,p]] K'n f/@ީp e~ CHEMBL144435?[~EANPC[N+]12CCC(CC1)C(=C2)C3=CC4=C(O3)C=CC=C4OSA$71a40be9-af94-46ec-8de0-d4439cdbbf5a36 -0.7520997523.14730 -0.7520999312.14731 0.0282000322 1.403199910000 -0.752099991 -0.6590998170 -1.96310008 0.03540015220 -1.96310008 1.438500170 0.458900064 0.03540009260 0.458900332 1.438500170 1.32419991 -0.4658545260 2.24490404 -0.05760487170 2.91760349 -0.8071139450 2.41278887 -1.678441170 1.42807686 -1.467476610 2.9091804 -2.553131820 3.91489816 -2.548707490 4.41911125 -1.678418520 3.91760635 -0.812553763000000000000000 0!0"0#039             ! " #!$"%#&00H00000000-0000-0000-0000-0000000000004@ Q?1@?TONܿmh(+:'n f/@ީp e~ CHEMBL144493?[~EAN.C1CN2CCC1C(=C2)c3ccccn3OSA$1bc20f4e-d228-4ef8-b45c-22ae528d77a828000 0.0282000322 1.403200270 -0.75210005 2.147300240 -1.96309996 1.438500170 -1.96309996 0.03540010380 -0.752099991 -0.6591000560 0.458900541 0.03540050980 0.458900124 1.438500520 1.32420063 -0.4658536910 2.19397402 0.03805289420 3.05932522 -0.4631754760 3.06372881 -1.463196990 2.19395566 -1.967103480 1.3197788 -1.4709883900000000000000030               00H00000000-0000-0000-0000-0000000000004@ Q@ @BHr9Lb8\c'n f/@ީp e~ CHEMBL227378?[~EAN@C[C@@H]1COC[C@H](C[N+](C)(C)C)O1OSA$ef41a476-7aa5-4621-b589-4f3b3da9d1dd32 -0.984464347 0.82961529500 1.005200030 -0.345713794 1.94354010000 0.867500722 -0.4975000320 1.735000493.57627869e-070 1.73500001 1.005200390 2.08071399 1.943540330 2.91635728 0.7944984440 3.68950915 1.712232711 2.92473054 2.35652590 4.45428753 1.067939520 4.33380222 2.47701120 0.867499888 1.51290011000000000000000000032                 02 H00000000-0000-0000-0000-0000000000004@ Q@6c@ 2Cylڞ'n f/@ީp e~ CHEMBL359027?[~EAN8C1CN2CCC1C(=C2)c3csc4ccccc34OSA$53f37fc8-eddb-4529-9fd8-ee51fdb1ce5232000 0.0282000322 1.403200270 -0.75210005 2.147300240 -1.96309996 1.438500170 -1.96309996 0.03540010380 -0.752099991 -0.6591000560 0.458900541 0.03540050980 0.458900124 1.438500520 1.32420063 -0.4658536910 1.42806327 -1.467639680 2.41278481 -1.678259370 2.91762328 -0.8068799380 3.90287519 -0.6049718260 4.2093482 0.3529227970 3.53738427 1.101319670 2.55894709 0.8918218610 2.24485779 -0.0575902946000000000000000035                !"00H00000000-0000-0000-0000-0000000000004@ Q?ε @KΓvAՠ'}f'n f/@ީp e~ CHEMBL369062?[~EANO=C(CCCNC(=O)CC(c1ccccc1)(c2ccccc2)c3ccccc3)NCCC(=O)NCC4CCCN(CC5CCCCC5)C4}OSA$05625064-8d22-493e-8dd8-24dfad30ce23102 5.19109154-4.008780 4.3243413 -4.507522580 4.3228898 -5.507521630 5.18818855 -6.00877810 5.18673706 -7.008777140 6.05203629 -7.510033610 6.05058479 -8.510032650 5.18383455 -9.008774760 6.91588402 -9.011288640 6.91443253 -10.01128770 8.66443062 -10.01382730 9.16572571 -9.142544750 10.1657562 -9.143948550 10.6695786 -10.00779250 10.1682835 -10.87907410 9.16316605 -10.88651180 5.16443396 -10.00874810 4.66313887 -10.88003060 3.66310859 -10.87862680 3.15928626 -10.01478290 3.66058087 -9.143501280 4.66569805 -9.136063580 6.91298103 -11.01128670 7.78426266 -11.51258180 7.78285933 -12.51261230 6.91901541 -13.01643470 6.04773426 -12.51513960 6.04029655 -11.51002220 3.45904255 -4.006266120 3.46049404 -3.006267070 2.59519506 -2.50501060 2.59664655 -1.505011560 3.46339679 -1.00626910! 1.73134756 -1.003755210" 1.73279893-0.003756225110# 0.867500007 0.4975000020$000% -0.867500126 0.49750030& -0.867499888 1.502700330'1.96501929e-07 2.010400060(3.74800919e-07 3.010400060) -0.866024911 3.51040030* -1.73506749 3.005234480+ -2.60114384 3.505208730, -2.60699606 4.50522280- -1.73795378 5.010388850. -0.863059163 4.51554060/ 0.867500126 1.5027000900 6.70209885 -7.1359763101 2.80897999 -4.38032341021.081285 -1.37781239030405060708090:0;0<0=0>0?0@0A0B0C0D0E0F0G0H0I0J0K0L0M0N0O0P0Q0R0S0T0U0V0W0X0Y0Z0[0\0]0^0_0`0a0b0c0d0e0106              ! "!#!"$"#%#/&#$'$%(%&)&'*'(+(),).-)*.*+/+,0,-1-.2'/30415!263"74"85#96$:7$;8%<9%=:&>;&?<(@=(A>)B?*C@*DA+EB+FC,GD,HE-IF-JG.KH.LI/MJ/NKOLPMQNROSPTQURVS WT XU YVZW[X\Y]Z^[_\`]a^b_c`daebfcgdhei00H00000000-0000-0000-0000-0000000000004@ Q?ə@v%9Nx>'n f/@ީp e~ CHEMBL355455?[~EANJCC(C1=C(CCN2CCCC2)Cc3ccccc13)c4ccccn4OSA$df94c69d-1568-4fec-8deb-60b57bdf2d3250 1.73794734 3.000138520 1.73499703 2.000142810 2.59954357 1.497589830 3.52061701 1.9046047903.731323 2.882154460 2.990093233.5534060 3.20079947 4.530955310 4.11510324 4.937089920 4.01757622 5.932350640 3.03888416 6.144868850 2.53219199 5.280810830 4.19234276 1.154173140 3.68616652 0.2834983470 3.98866963 -0.6696688530 3.31901169 -1.413232450 2.3358047 -1.201247330 2.02225566 -0.24569851202.701689 0.4957574010 0.867500126 1.502700090 0.867500007 0.4975000020000 -0.867500126 0.49750030 -0.867499888 1.5027003301.96501929e-07 2.01040006000000000 0!0"0#0$0%0&0'0(0)0*0+0,0-0.0/0001053              !" #!$"%#&$ '% (& )' *( +) ,* -+.,/-0.1/2031400H00000000-0000-0000-0000-0000000000004@ Q@S3@@/OD'n f/@ީp e~ CHEMBL369575?[~EANLCC(C1=C(CCN2CCOCC2)Cc3ccccc13)c4ccccn4eOSA$e9660e5a-261d-4b7f-89ac-2818f9ced0ff51 -0.239957541 -2.302180290 -0.0321366191 -3.280347110 0.918891251 -3.589452510 1.73352575 -2.997499940 1.73352551 -1.997499820 0.867500067 -1.497499940 0.867500007 -0.4975000020000-1.02134571e-07 1.005200270 0.867499948 1.512900110 1.7349999 1.005200150 1.73499997.04465108e-080 2.54829097 -3.589548110 2.23693514 -4.54732990 2.73348475 -5.415358540 2.23553419 -6.283329490 1.22973418 -6.283270840 0.721884787 -5.415241240 1.22983539 -4.547270770 -0.775343657 -3.949408770 -0.563542366 -4.93204260 -1.30674052 -5.601160530 -2.25959086 -5.297616480 -2.47139215 -4.314983370 -1.73034322 -3.635894300000000 0!0"0#0$0%0&0'0(0)0*0+0,0-0.0/000102054              !" #!$"%#&$'% (& )' *( +) ,* -+.,/-0.1/203142500H00000000-0000-0000-0000-0000000000004@ Q@w8@t~D妡: 'n f/@ީp e~ CHEMBL378772?[~EANO[C@@H]1C[C@H](N(C1)C(=O)CC(c2ccc(F)cc2)(c3ccc(F)cc3)c4ccc(F)cc4)C(=O)N5CCC[C@@H]5C(=O)NCC6CCN(CC7CC7)CC6OSA$e0f7d7dc-8083-4824-b278-36fb154407d999 -4.76877928 -3.590856080 -4.66836262 -4.58580160 -5.66835737 -4.582552910 -3.68771505 -4.382496830 -3.18917131 -5.251281740 -2.52295208 -5.997037890 -3.86480141 -5.99481630 -4.77524519 -5.580101490 -3.66329813 -6.97430420 -2.71428514 -7.289541240 -4.41080761 -7.638555050 -4.20930433 -8.618042950 -5.92340803 -8.970674510 -6.58889389 -8.217310910 -7.56842184 -8.418773650 -7.8892169 -9.365955350  -8.86958218 -9.563145640 -7.22373152 -10.1193190 -6.2374506 -9.925500870 -2.49520087 -8.265411380 -1.82971513 -9.018774990 -0.850187182 -8.817312240 -0.529391885 -7.870130540  0.450973213 -7.672940250 -1.19487727 -7.116767410 -2.18115807 -7.31058550 -4.00780058 -9.597530360 -4.76116371 -10.26301670 -4.55970097 -11.24254420 -3.6125195 -11.56333920  -3.41532898 -12.5437040 -2.85915637 -10.89785390 -3.0529747 -9.911573410! -2.37823462 -4.666147710" -1.46602547 -5.075872420# -2.47950697 -3.671288970$ -3.34327054 -3.166503670% -3.13624263 -2.188140150& -2.14004779 -2.085193160' -1.73205113 -2.999999760( -1.14478171 -3.809391260) -0.866025686 -2.499999760*-2.98023224e-07 -2.999999760+ -0.866025567 -1.499999760,-4.28310649e-08-10-000. -0.867500126 0.49750030/ -0.867499888 1.50270033001.96501929e-07 2.01040006013.74800919e-07 3.0104000602 -0.866024911 3.510400303 -1.367908 4.3775134104 -1.86790812 3.5114879605 0.867500126 1.5027000906 0.867500007 0.49750000207 -5.45267153 -3.28297408 -1.51554465 -1.12499988090:0;0<0=0>0?0@0A0B0C0D0E0F0G0H0I0J0K0L0M0N0O0P0Q0R0S0T0U0V0W0X0Y0Z0[0\0]0^0_0`0a0b0105             !" #!$!"%!#&#''#$($%)%&*&'+'(,')-)*.)+/+,0,-1-62-.3./4/0501612724823934:05;56<7=+8>9 ?:$@;$A<%B=%C>&D?&E@,FA,GB-HC.ID.JE/KF/LG1MH1NI2OJ3PK3QL4RM4SN5TO5UP6VQ6WRXSYTZU[V \W ]X ^Y_Z`[a\b]c^d_e`fagbh03'&(#H00000000-0000-0000-0000-0000000000004@ Q?@rSOҿk~@'n f/@ީp e~ CHEMBL378859?[~EANO[C@@H]1C[C@H](N(C1)C(=O)CC(c2ccc(Cl)cc2)(c3ccc(Cl)cc3)c4ccc(Cl)cc4)C(=O)N5CCC[C@@H]5C(=O)NCCC6CCNCC6OSA$7b09b8f6-6d27-4d98-be1d-7c3a6fd2456092 -1.77949619 -6.465377330 -0.969063044 -7.05120850 -1.63573885 -7.7965560 -0.469639301 -6.183119770 0.51094377 -6.387544630 1.51094031 -6.384908680 0.617955089 -7.386477950 -0.296811134 -7.791568760 1.48398042 -7.886477950 2.35000563 -7.386477950 1.48398054 -8.886477470 2.3500061 -9.386477470 1.47500658 -10.90202240 0.469810754 -10.89905740 -0.0302460995 -11.76508620 0.464692742 -12.63404940 -0.0391137302 -13.49786570 1.46988833 -12.63701440 1.9801451 -11.77101610 3.22500563 -7.870933060 4.23020172 -7.873898510 4.73025846 -7.00787020 4.23531961 -6.138906480 4.73912621 -5.2750902203.230124 -6.135941030 2.71986723 -7.00193930 3.21603155 -9.886477470 3.21306586 -10.89167310 4.07909441 -11.39173030 4.94805813 -10.89679150 5.81187439 -11.40059760 4.95102358 -9.891595840 4.08502531 -9.381339070! 0.612216115 -5.392685890" -0.198720574 -4.807552340# 1.52442515 -4.98296070$ 2.39346385 -5.478609090% 3.13723755 -4.810135840& 2.72829485 -3.89593220' 1.73205066-40( 0.737462401 -3.896105530) 1.73205066-30* 2.59807587-2.50+ 0.866025269-2.50, 0.866025388-1.50--4.28310649e-08-10.000/ -0.867500126 0.497500300 -0.867499888 1.50270033011.96501929e-07 2.0104000602 0.867500126 1.5027000903 0.867500007 0.49750000204 -2.46391702 -6.7720823305 0.216506273-2.875063.74800919e-07 3.010400060708090:0;0<0=0>0?0@0A0B0C0D0E0F0G0H0I0J0K0L0M0N0O0P0Q0R0S0T0U0V0W0X0Y0Z0[097             !" #!$!"%!#&#''#$($%)%&*&'+'(,')-)*.)+/+,0,-1-.2.33./4/0501612723849+5:16;7 <8$=9$>:%?;%@<&A=&B>,C?,D@-EA-FB.GC/HD/IE0JF0KG2LH2MI3NJ3OKPLQMRNSO TP UQ VRWSXTYUZV[W\X]Y^Z_[`03'&(#H00000000-0000-0000-0000-0000000000004@ Q?kP@NZAAes}'n f/@ީp e~ CHEMBL369630?[~EANO=C(CC(c1ccccc1)(c2ccccc2)c3ccccc3)N4CCC[C@H]4C(=O)N5CCC[C@@H]5C(=O)NCC6CCCN(CC7CCCCC7)C6OSA$7cd57d7c-e85e-45e1-b14f-23d41e10082a107 -0.632882416 -5.495739460 0.113662481 -6.161074640 -0.0892621726 -7.140269280 -1.03873169 -7.454128740 -1.58798563 -5.792556760 -0.916979373 -5.044106010 -1.23080301 -4.094591620 -2.20882368 -3.88593340 -2.87982965 -4.634384160 -2.57281494 -5.591493130 -0.489477783 -9.115700720 -1.1604836 -9.8641510 -0.846660018 -10.81366540 0.13136059 -11.02232360 0.802366436 -10.27387330 0.495351613 -9.316764830 -1.98820126 -7.76798820 -2.73665237 -7.0969820 -3.68616652 -7.41080570 -3.89482474 -8.388826370 -3.14637399 -9.059832570 -2.18926501 -8.752818110 1.06313205 -5.847215180 1.87666321 -6.42950630 2.68516588 -5.840966220 2.37228942 -4.889593120 1.37062502 -4.890779970 0.391968966 -4.68527460 1.47334099 -3.896069290 0.663254261 -3.309759140 2.38614368 -3.487668510 3.25446224 -3.984577890 3.99920535 -3.317184690! 3.59158969 -2.402388570" 2.59519529 -2.50501060# 1.60075879 -2.399672750$ 2.59664655 -1.505011560% 3.46339655 -1.006268740& 1.73134756 -1.003755210' 1.73279893-0.003756225110( 0.867500007 0.4975000020)000* -0.867500126 0.49750030+ -0.867499888 1.502700330,1.96501929e-07 2.010400060-3.74800919e-07 3.010400060. -0.866024911 3.51040030/ -1.73506749 3.0052344800 -2.60114384 3.5052087301 -2.60699606 4.505222802 -1.73795378 5.0103888503 -0.863059163 4.515540604 0.867500126 1.50270009051.081285 -1.37781239060708090:0;0<0=0>0?0@0A0B0C0D0E0F0G0H0I0J0K0L0M0N0O0P0Q0R0S0T0U0V0W0X0Y0Z0[0\0]0^0_0`0a0b0c0d0e0f0g0h0i0j0113             !""# $ !%!"&"#'"$($%)$&*&'+'(,(4-().)*/*+0+,1,-2-.3.34./5/06017128239,4:&5;6 <7 =8!>9!?:'@;'A<(B=)C>)D?*E@*FA+GB+HC-ID-JE.KF/LG/MH0NI0OJ1PK1QL2RM2SN3TO3UP4VQ4WRXSYTZU[V\W]X ^Y _Z `[ a\b]c^d_e`fagbhcidjekflgmhniojp02"!#H00000000-0000-0000-0000-0000000000004@ Q?33@@GjС%'n f/@ީp e~ CHEMBL358505?[~EAN8OC1(CN2CCC1CC2)c3nc4ccccc4s3OSA$4d2dbb60-0e7b-477e-8130-5877a466220c34 4.11316013 -0.4826270940 4.28579998 0.502357960 5.6052351 0.0250941310 6.6836915 0.922785640 6.42907763 2.302673340 5.10964251 2.779937270 4.04463339 1.877381560 4.40860558 0.9459362030 5.7185421 0.4421194490 3.28579998 0.5022998450 2.69379973 -0.312500060 1.73599982-0.001199961640 0.867999911 -0.4977999630 0001.86611331e-07 1.00580120 0.868000329 1.513800860 1.73600018 1.005800490 2.69380021 1.316900010 4.68818665 -0.96412932900000000000000 0!037              ! " #!$00H00000000-0000-0000-0000-0000000000004@ Q@ .@DE&"k'n f/@ީp e~ CHEMBL238825?[~EAN>CC1=CC(=NO1)OCC#CC[N+]2(C)CCCC2OSA$6f095112-a102-42c1-890f-5cc171f1700f36 -1.25769126 1.260501860 -0.306499958 0.9519000050000 1.001500131.08633849e-070 1.31330001 0.9519001840 0.500799954 1.542800070 1.58832145 -0.8097165230 2.58296728 -0.7063727970 3.16978836 -1.516089560 3.75660944 -2.325806380 4.34343052 -3.135523320 5.33807659 -3.032179831 5.13263464 -2.053510430 5.33821774 -4.032628060 6.28741693 -4.347393040 6.87882423 -3.539160490 6.29474449 -2.725413560000000000000000 0!0"0#037                !!""##$00H00000000-0000-0000-0000-0000000000004@ Q@b@@iDJL;vw/B2'n f/@ީp e~ CHEMBL355769?[~EANNCC(C)N(C)CCC1=C(C(C)c2ccccn2)c3ccccc3C1BOSA$efe13fc1-1dc6-495c-be29-6c5e73efc6c652 6.05660582 5.449849130 5.84590006 4.472299580 6.58712959 3.801048280 4.89396429 4.166001320 4.15273476 4.837252620 4.68325853 3.188452010 3.73132277 2.882153990 3.52061701 1.904604430 2.59954357 1.497589830 1.73499703 2.000142810 1.73794734 3.000138520 0.867500126 1.502700090 0.867500007 0.4975000020 000 -0.867500126 0.49750030 -0.867499888 1.5027003301.96501929e-07 2.0104000602.701689 0.4957572520 2.02225566 -0.2456986610 2.3358047 -1.201247450 3.31901169 -1.413232560 3.98866963 -0.6696690320 3.68616676 0.2834981080 4.19234276 1.15417278000000000 0!0"0#0$0%0&0'0(0)0*0+0,0-0.0/00010203054          ! "!#"$#%$&%'& (' )( *) +* ,+ -,.-/.0/10213243500H00000000-0000-0000-0000-0000000000004@ Q@{3@@t+|D(c|'n f/@ީp e~ CHEMBL358493?[~EANTC[N+]12CCC(CC1)C(O)(C2)C3=CC4=C(O3)C=CC=C4OSA$d85b627f-fa4e-4bb3-9521-706147303a3539 -0.7520997523.14730 -0.7520999312.14731 0.0282000322 1.403199910000 -0.752099991 -0.6590998170 -1.96310008 0.03540015220 -1.96310008 1.438500170 0.458900064 0.03540009260 1.44387507 0.2080968770 0.458900332 1.438500170 0.799104273 -0.9049514530 1.76668751 -1.184497950 1.79974449 -2.191074130 0.852790415 -2.533604150 0.234446049 -1.738736870 0.670331001 -3.52264190 1.44328892 -4.166088580 2.38911462 -3.823966980 2.56198239 -2.838398460 1.7010709 0.912618160000000000000 0!0"0#0$0%0&042               !" #! $" %#&$'%(&)00H00000000-0000-0000-0000-0000000000004@ Q@4@/Aˋ!dr1'n f/@ީp e~ CHEMBL355851?[~EANLCN(C)CCNC(=O)C1=C(Cc2cccnc2)c3ccccc3C1OSA$3ddcdad6-1841-41c7-8f03-f690f9c763f647 6.02740526 2.260066990 5.8181653 1.28220260 6.56040096 0.6120634680 4.86669016 0.974477410 4.6574502-0.003386944530 3.70597482 -0.3111119270 3.49673486 -1.288976310 4.23897028 -1.959115390 2.54525948 -1.596701380 1.7313478 -1.003755210 1.73279893-0.003756225110 0.867500007 0.4975000020 000 -0.867500126 0.49750030 -0.867499888 1.5027003301.96501929e-07 2.010400060 0.867500126 1.502700090 0.915692449 -1.594355460 -0.0664691553 -1.378149270 -0.736099899 -2.128469940 -0.426645696 -3.085481880 0.552439213 -3.292173150 1.22554672 -2.552604440 2.23266459 -2.554118390 3.14929843 0.19149264700000000 0!0"0#0$0%0&0'0(0)0*0+0,0-0.049            ! "!#"$# %$ &% '& (')(*)+*,+-,.-/.000H00000000-0000-0000-0000-0000000000004@ Q@.G @}QO[Qve'n f/@ީp e~ CHEMBL356321?[~EAN,C1CN2CCC1C(=C2)c3ccsc3kOSA$ea5484fc-5123-427c-8573-d6cf7029089026000 0.0282000322 1.403200270 -0.75210005 2.147300240 -1.96309996 1.438500170 -1.96309996 0.03540010380 -0.752099991 -0.6591000560 0.458900541 0.03540050980 0.458900124 1.438500520 1.32420063 -0.4658536910 2.23922205 -0.05874301870 2.90620399 -0.8038544060 2.40881515 -1.671898370 1.42627287 -1.462304350 000000000000028              00H00000000-0000-0000-0000-0000000000004@ Q@ @QuDhHnLjg'n f/@ީp e~ CHEMBL357444?[~EAN.COc1ccccc1C2=CN3CCC2CC3}OSA$ca21da15-f620-483b-a8db-f5b57c32e12d33 2.60102439 1.502694370 1.73502398 1.002651330 1.73507369 0.002651371760 2.60042453 -0.4985773560 2.60482764 -1.498598810 1.73505425 -2.002504830 0.860877573 -1.506389260 0.865299821 -0.5012545590000 -3.97424117e-07 1.403100010 -1.21100032 2.111900090 -2.42200017 1.403099890 -2.421999937.17429671e-090 -1.21099997 -0.6945000290 -0.458900839 -0.03539985420 -0.4307005111.367800000000000000000 035                    ! "00H00000000-0000-0000-0000-0000000000004@ Q?;`@#ʰE.^.'n f/@ީp e~ CHEMBL357200?[~EAN8OC1(CN2CCC1CC2)c3cc4ccccc4s3 OSA$a7e90597-eec6-412c-9d93-8e8b6ec614b935 0.98497498 0.1726968880000-3.97424117e-07 1.403100010 -1.21100032 2.111900090 -2.42200017 1.403099890 -2.421999937.17429671e-090 -1.21099997 -0.6945000290 -0.458900839 -0.03539985420 -0.4307005111.36780 0.340204328 -0.9403514860 1.30778682 -1.219897630 1.34084427 -2.226473810 2.10308242 -2.873797890 1.93021536 -3.859366660 0.984389901 -4.201488970 0.211431652 -3.558042530 0.393890679 -2.56900430 -0.224453777 -1.774137020 1.24217069 0.87721818700000000000000 0!0"038              ! " #!$"%00H00000000-0000-0000-0000-0000000000004@ Q@!.@*Asѩ`w'n f/@ީp e~ CHEMBL357404?[~EAN2COc1ccccc1C2(O)CN3CCC2CC3OSA$a62b8be5-3fb2-4256-b74b-aa941c553c2a36 1.9246465 -2.306328770 1.2837491 -1.538702130 1.62808454 -0.5998554230 2.61309862 -0.4272004370 2.96152878 0.5101675990 2.31841922 1.282719850 1.3268795 1.117904070 0.98497498 0.1726968880000 0.340204328 -0.9403514860 -3.97424117e-07 1.403100010 -1.21100032 2.111900090 -2.42200017 1.403099890 -2.421999937.17429671e-090 -1.21099997 -0.6945000290 -0.458900839 -0.03539985420 -0.4307005111.36780 -0.142995223 -1.51395249000000000000000 0!0"0#038                    ! "!#"$#%00H00000000-0000-0000-0000-0000000000004@ Q@;p@#rM0?0@0A0B0C0D0E0F0G0H0I0J0K0L0M0N0O0P0Q0R0S0T0U0V0W0X094             !" #!$!"%!#&#''#$($%)%&*&'+'(,')-)*.)+/+,0,-1-22-.3./4/0501612738+4905:6 ;7$<8$=9%>:%?;&@<&A=,B>,C?-D@.EA.FB/GC/HD1IE1JF2KG2LHMINJOKPL QM RN SOTPUQVRWSXTYUZV[W\X]03'&(#H00000000-0000-0000-0000-0000000000004@ Q@@3.^KGYkgP?'n f/@ީp e~ CHEMBL438822?[~EANO[C@@H]1C[C@H](N(C1)C(=O)CC(c2ccc(F)cc2)(c3ccc(F)cc3)c4ccc(F)cc4)C(=O)N5CCC[C@@H]5C(=O)NC[C@@H]6CCCNC6OSA$65b4ef6f-320d-4d64-8154-05708921f76489 3.01224494 -4.835136890 4.00970697 -4.763938430 3.97713685 -5.763407710 3.83524513 -3.777751210 4.71827507 -3.304897070 5.48324585 -2.660832170 5.44167805 -4.002038960 5.00044489 -4.899930480 6.42665339 -3.82934380 6.76958275 -2.88998270 7.06869936 -4.596009730 8.0536747 -4.423314090 8.35589218 -6.147020820 7.58333826 -6.790129180 7.75599194 -7.775143620 8.69335938 -8.123575210  8.86171818 -9.109300610 9.46591282 -7.480466840 9.30109882 -6.488926890 7.75145769 -2.699607370 8.52401066 -2.056498770 8.35135746 -1.071484330 7.41399002 -0.723052740  7.24563169 0.262673080 6.64143658 -1.366161230 6.80625105 -2.35770130 9.03864956 -4.250618460 9.68175793 -5.02317190 10.6667719 -4.850518230 11.0152035 -3.913150550  12.0009289 -3.744791980 10.3720951 -3.140597340 9.38055515 -3.305411820! 4.15717173 -2.477151160" 3.1597712 -2.549207690# 4.59346914 -1.577348710$ 5.57796097 -1.399382710% 5.71899652 -0.4093500080& 4.81851339 0.02897863840' 4.12154293 -0.690441370( 3.29232073 -1.249360560) 3.47949672 0.07622455060* 3.82242584 1.015585780+ 2.49452138 -0.09647071360, 1.85247529 0.6701953410- 0.867500007 0.4975000020. 1.20770144 -0.4428526160/0000 -0.867500126 0.497500301 -0.867499888 1.50270033021.96501929e-07 2.0104000603 0.867500126 1.5027000904 2.68444157 -5.5097069705 2.23732471 -0.800991714063.74800919e-07 3.010400060708090:0;0<0=0>0?0@0A0B0C0D0E0F0G0H0I0J0K0L0M0N0O0P0Q0R0S0T0U0V0W0X094             !" #!$!"%!#&#''#$($%)%&*&'+'(,')-)*.)+/+,0,-1-.2-33-/4/0501612723849+5:26;7 <8$=9$>:%?;%@<&A=&B>,C?,D@/EA/FB0GC0HD1IE1JF3KG3LHMINJOKPL QM RN SOTPUQVRWSXTYUZV[W\X]04'&(#-,.3H00000000-0000-0000-0000-0000000000004@ Q?+@.*Aߎmϖu'n f/@ީp e~ CHEMBL443499?[~EANCN(C)C(=O)OC1=C(COC(=O)C(C)(C2=CC=CC=C2)C3=CC=CC=C3)[N+](=CC=C1)C OSA$fda02d16-2657-49ac-898a-5174fb8a281a58 4.33159828 0.4924766720 3.46484852-0.006266951560 3.46339846 -1.006265880 2.59954929 0.4949884410 2.60099959 1.494987370 1.73279953-0.003755033020 0.867500305 0.4975005390 0.867499888 1.502700570 1.73499668 2.000143290 1.73794711 3.000138760 2.60544395 3.497581240 3.46999025 2.995028020 2.60839438 4.497576710 1.6083988 4.500526910 2.61134481 5.497572420 1.74081576 6.000172620 1.74371839 7.000199790 2.60831618 7.502726550 3.47884488 7.000126360 3.48477578 5.994999410 4.35838652 4.492413520 4.86098719 5.362942220 5.86101389 5.360039710 6.36354065 4.495441910 5.86094046 3.624913450 4.8558135 3.618982550-1.96808557e-07 2.01040031 -0.867500067 1.502700090 -0.867500007 0.49750000200003.81565997e-08 3.010400300 0!0"0#0$0%0&0'0(0)0*0+0,0-0.0/00010203040506070809060        ! "!#"$#%$&%'&(' )( *) +*,+-,.-/.0/102132435465768798:9;00H00000000-0000-0000-0000-0000000000004@ Q@Ơ@2IH ['n f/@ީp e~ CHEMBL380759?[~EANLC[N+](C)(C)CC#CCOC(=O)NC1=CC=C(Cl)C=C1'OSA$478e6a65-e248-4632-8460-81030f8ec27137 6.9399786 4.984799860 6.07543182 5.487352371 5.57287931 4.62280560 6.57798433 6.351899150 5.21088505 5.989904880 4.34338856 5.492462160 3.47589159 4.995019440 2.60839486 4.497576710 2.60544443 3.497581010 1.73794734 3.000138520 0.873400986 3.502691750 1.73499703 2.000142810 0.867500126 1.502700090 0.867500007 0.4975000020000 -0.867500126 0.49750030 -1.73279929-0.003755629060 -0.867499888 1.5027003301.96501929e-07 2.010400060 2.38340688 1.623228190000000000000 0!0"0#0$037            ! !""##$$00H00000000-0000-0000-0000-0000000000004@ Q@pp@Tcc\Ij"Z@'n f/@ީp e~ CHEMBL552338?[~EANVFC(F)(F)c1ccccc1C(=O)N(CC2CCC2)[C@@H]3CCNC3OSA$eee8f89b-0d39-4ce5-b2f7-930f41498e9944 0.723010719 -4.365835190 1.39443243 -3.624759910  2.13550782 -4.296181680  0.653357029 -2.953338150 2.56942034 -2.327877760 3.54725695 -2.537396190 4.22191954 -1.799227710 3.91563773 -0.8418257830 2.93469334 -0.6225924490 2.26313853 -1.370475770 1.28532231 -1.161010860 0.615012228 -1.903091910 0.977816164 -0.2094647590 1.64812613 0.5326164960 1.34062004 1.484162570 1.7960248 2.374447110 0.90574044 2.829851870 0.450335622 1.939567450000 -0.10531798 -0.9944385890 -1.001500494.48416642e-070 -1.30800009 0.9519005420 -0.500699878 1.542800070 0.311799973 0.9518999460 -0.501846015 2.2927992300000000 0!0"0#0$0%0&0'0(0)0*0+046            ! "!#"$#%$&%'&(')(*)+*,+-01 H00000000-0000-0000-0000-0000000000004@ Q?ȴ@@ݺPGqOx'n f/@ީp e~ CHEMBL608529?[~EANRC[C@H]1O[C@H](C[S]1=O)[C@@H]2CCC[N+]2(C)COSA$05f67f1b-5ef8-4d38-8824-75d0b5f7069f34 3.12252522 2.180166960 3.2227571 1.185202720 4.20192337 1.388263460 2.21811509 1.188902020 1.90926003 0.2373220320 1.40596783 -0.6267942790 2.71483779 -0.3552156980 3.52695489 0.2308460620 4.47664165 -0.08235545460 0.311799973 0.9518999460 1.18847835 2.466474060 000 -1.001500494.48416642e-070 -1.30800009 0.9519005420 -0.500699878 1.542800071 -1.17145967 2.284474850 0.167789936 2.286521430000000000000000 0!035                  !!"03  H00000000-0000-0000-0000-0000000000004@ Q@=`@+iA_9'n f/@ީp e~ CHEMBL64779?[~EAN.C1CN2CCC1C(=C2)c3cccnc3OSA$81bf149a-8b61-438b-8d90-0c14ef4abf8e28000 0.0282000322 1.403200270 -0.75210005 2.147300240 -1.96309996 1.438500170 -1.96309996 0.03540010380 -0.752099991 -0.6591000560 0.458900541 0.03540050980 0.458900124 1.438500520 1.32420063 -0.4658536910 2.19169974 0.03164831920 3.05920076 -0.4658499960 3.05920291 -1.471050020 2.19170403 -1.978751780 1.3242029 -1.4710537200000000000000030               00H00000000-0000-0000-0000-0000000000004@ Q@aG@ݎκ Eb {}'n f/@ީp e~ CHEMBL59898?[~EANfCCOC(=O)c1c(C)[nH]c2ccc3OC4N(CCc5cc(OC)ccc45)Cc3c12 OSA$1707d694-e2a4-48fc-bafd-785edf3cfa1053 4.33275318 7.369512560 4.0756011 6.40314150 4.78392696 5.697255610 4.52677488 4.730884550 3.56129694 4.470399380 5.23510075 4.024999140 6.99440098 4.024998660 7.70150805 4.732105260 6.9944005 3.009298320 6.11480045 2.501398560 6.11499977 1.493398550 5.24179983 0.9865990880 4.3599 1.493799450 3.48769975 0.9938996430 2.61619997 1.498299840 2.62199998 2.510999920 1.74919999 3.020200010 0.870099902 2.518100020 0.874300003 1.503700020 0.00379991555 1.005200030000 -0.8669433 -0.4984068270 -0.868782043 -1.498405220 0.874199808 -0.504599810 1.74119973-0.003199815750 1.74269986 0.9968001250 3.4958005 3.013399360 4.36660051 2.504599330 5.23860073 3.010899070 7.64392948 2.63431549000 0!0"0#0$0%0&0'0(0)0*0+0,0-0.0/0001020304057              !"# $!%"&#'$(%)& *' +(,)-*.+/,0-1.2/3041526374800H00000000-0000-0000-0000-0000000000004@ Q@rq@Z#4S@Ŗ<'n f/@ީp e~ CHEMBL428916?[~EANJC1CCN(C1)CC#CCOC2=NOC(=C2)C3=CC=CC=C3OSA$a5d4d9da-39d2-401a-9d04-be4124ffc78b39000 1.001500131.08633849e-070 1.31330001 0.9519001840 0.500799954 1.542800070 -0.306499958 0.9519000050 0.4992716012.5427990 -0.367516965 3.041474820 -1.2343055 3.540150880 -2.10109401 4.038826940 -2.96635437 3.53750420 -3.83314276 4.03618050 -3.93818092 5.032322880 -4.92134285 5.238990310 -5.41614485 4.369469170 -4.74694729 3.62634730 -6.41033173 4.261802670 -6.81356859 3.341027020 -7.8077817 3.233309510 -8.4028492 4.037024020 -7.99961233 4.957799430 -7.00130796 5.0748601000000000000 0!0"0#0$0%0&041            ! "!#"$#%$&%'&(00H00000000-0000-0000-0000-0000000000004@ Q@I@z"&2K/=ΛX'n f/@ީp e~ CHEMBL390842?[~EAN@C[C@H]1COC[C@@H](C[N+](C)(C)C)O1OSA$2c690870-a854-4755-baf5-83c54183fa4032 -0.984464347 0.82961529500 1.005200030 -0.345713794 1.94354010000 0.867500722 -0.4975000320 1.735000493.57627869e-070 1.73500001 1.005200390 2.08071399 1.943540330 2.91635728 0.7944984440 3.68950915 1.712232711 2.92473054 2.35652590 4.45428753 1.067939520 4.33380222 2.47701120 0.867499888 1.51290011000000000000000000032                 02 H00000000-0000-0000-0000-0000000000004@ Q@kY@0ӱI }j5'n f/@ީp e~ CHEMBL396845?[~EANNC[N+]1(CCC2=C(C1)C=CC=C2)CC#CCOC3=NOCC3OSA$d55d5dff-62ef-48ce-8710-9931c3ffa3ce42 3.83216214 1.939131620 3.48479986 1.001400591 3.48049998-0.007299473510 2.60390019 -0.5052997470 1.737100018.07167453e-0801.7414 1.008900170 2.61249971 1.512500520 0.870699942 1.5184999700 1.008900050 000 0.870700121 -0.4993002120 4.4687314 0.8228534460 5.11532354 1.585689310 5.76191568 2.348525050 6.40850782 3.111360790 6.0711689 4.052743910 6.71776104 4.815579410 7.71653652 4.739544870 8.09684563 5.669428830 7.3306241 6.312702180 6.47915697 5.78824091000000000000 0!0"0#0$0%0&0'0(0)044           ! "! #" $# %$&%'&(')(*)+00H00000000-0000-0000-0000-0000000000004@ Q@`@2:~AFϔ'n f/@ީp e~ CHEMBL424214?[~EANZCN1CCN(CC1)C(=O)C2=C\C(=C/c3ccncc3)\c4ccccc24OSA$dabb9923-d702-445e-a0bd-2c2689b9010e46 0.867500126 2.512900110 0.867499888 1.5129001100 1.005200030000 0.867500722 -0.4975000320 1.735000493.57627869e-070 1.73500001 1.005200390 0.867501378 -1.497500060 0.00147634745 -1.997500660 1.73352706 -1.997499590 1.83884275 -2.99913430 2.82386851 -3.208326340 3.23061848 -4.121865750 2.64284515 -4.930891510 1.64859796 -4.823488240 1.05776846 -5.636721130 1.46118581 -6.557356360 2.46142793 -6.656507490 3.05225754 -5.843275070 3.32751012 -2.336290360 4.31240129 -2.132879730 4.61755228 -1.17461610 3.94450378 -0.4271941780 2.9663043 -0.6380357740 2.65359139 -1.5879021903.976511 -4.20025110000000 0!0"0#0$0%0&0'0(0)0*0+0,0-049               !" #!$"%#&$'% (&)'*(+),*-+.,/-000H00000000-0000-0000-0000-0000000000004@ Q@233@@\2MBޫ T'n f/@ީp e~ CHEMBL398043?[~EAN,O=C1CCON1CC#CCN2CCCCC2OSA$18242082-3e17-48a2-95e2-3e1ceb0a507434 4.58723974 5.395134930 4.37955761 4.416938780 5.05075264 3.673635720 4.54967546 2.808200840 3.57007122 3.011355640 3.46410179 4.010399820 2.59807634 4.510399820 1.73205101 4.010399820 0.866025567 3.510400060 3.81565997e-08 3.01040030 -1.96808557e-07 2.01040030 -0.867500067 1.502700090 -0.867500007 0.4975000020 000 0.867500305 0.4975005390 0.867499888 1.5027005700000000000000000 0!035                   !!"00H00000000-0000-0000-0000-0000000000004@ Q?l@@"`@IW/< 'n f/@ީp e~ CHEMBL404557?[~EANBC[C@@H]1COC[C@@H](C[N+](C)(C)C)O1OSA$a4ca0b72-f3c7-4cf4-99ab-10349cd74e2632 -0.984464347 0.82961529500 1.005200030 -0.345713794 1.94354010000 0.867500722 -0.4975000320 1.735000493.57627869e-070 1.73500001 1.005200390 2.08071399 1.943540330 2.91635728 0.7944984440 3.68950915 1.712232711 2.92473054 2.35652590 4.45428753 1.067939520 4.33380222 2.47701120 0.867499888 1.51290011000000000000000000032                 02 H00000000-0000-0000-0000-0000000000004@ Q@&€@žYI ~s'n f/@ީp e~ CHEMBL423746?[~EAN.OC1(CN2CCC1CC2)c3cccnc3FOSA$1578ab5e-c9d8-42fc-8c87-301ad4cd620d31 0.98497498 0.1726968880000-3.97424117e-07 1.403100010 -1.21100032 2.111900090 -2.42200017 1.403099890 -2.421999937.17429671e-090 -1.21099997 -0.6945000290 -0.458900839 -0.03539985420 -0.4307005111.36780 0.340204328 -0.9403514860 1.32445002 -1.117335560 1.66875529 -2.056226490 1.02225506 -2.825943710 0.0314496234 -2.656769990 -0.306295723 -1.71006870 1.24217069 0.877218187000000000000000033               00H00000000-0000-0000-0000-0000000000004@ Q@8Q@S2iJk%>'n f/@ީp e~ CHEMBL420662?[~EANfCOc1ccc2C3Oc4ccc5[nH]c(C)c(C(=O)OCC=C)c5c4CN3CCc2c1 6OSA$13f9a914-21b8-4427-b3b0-bd33a86fbd4554 -1.73204803 0.003184616570 -0.8669433 -0.4984068270000 0.874200344 -0.5046002270 1.74120009-0.003200054170 1.74269998 0.9967998270 2.61619997 1.498299720 3.48769999 0.99389976304.3599 1.493799920 5.24180031 0.9866001610 6.11500025 1.493400220 6.11479998 2.501399990 6.99440002 3.009299990 6.99440002 4.02500010 7.70150709 4.732106690 5.23509979 4.02500010 4.52677393 4.730885510 4.78392601 5.697256570 3.56129599 4.470400330 2.85297036 5.176286220 1.88749254 4.915801050 1.17916679 5.621686940 5.23859978 3.010900020 4.36660004 2.504600050 3.49580002 3.013400080 2.62199998 2.510999920 1.74919999 3.020200010 0.870099902 2.518100020 0.874300003 1.503700020 0.00379991555 1.0052000307.643929 2.6343171600 0!0"0#0$0%0&0'0(0)0*0+0,0-0.0/000102030405058              ! "# $!%"&#'$(% )& *'+(,)-*.+/,0-1.2/304152637485900H00000000-0000-0000-0000-0000000000004@ Q@{3@@t߄tL.`i%'n f/@ީp e~ CHEMBL422905?[~EANhCN(C)C(=O)OC1=CCCN(C)C1COC(=O)C(C)(c2ccccc2)c3ccccc3 OSA$27ab01e4-eed6-4b7e-9851-87ef11d2a00c61 4.33159828 0.4924735130 3.46484804-0.006269484760 3.46339703 -1.00626850 2.59954906 0.4949866240 2.60100007 1.494985580 1.73279893-0.003756225110 0.867500007 0.4975000020000 -0.867500126 0.49750030 -0.867499888 1.502700330 1.96501929e-07 2.010400060 3.74800919e-07 3.010400060 0.867500126 1.502700090 1.73499703 2.000142810 1.73794758 3.000138520 2.60544467 3.497581010 3.46999097 2.995027780 2.6083951 4.497576710 1.60839939 4.500527380 2.61134577 5.497572420 1.74081695 6.000172620 1.7437197 7.000199790 2.60831761 7.502726550 3.47884631 7.000126360 3.48477697 5.994999410 4.35838747 4.492413520 4.86098766 5.362942220 5.86101484 5.360039710 6.3635416 4.495441910 5.86094141 3.624913220 4.85581446 3.6189823200 0!0"0#0$0%0&0'0(0)0*0+0,0-0.0/000102030405060708090:0;0<063           ! "!#"$#%$&%'&(')( *) +* ,+ -, .- /. 0/ 102132435465768798:9;:<;=<>00H00000000-0000-0000-0000-0000000000004@ Q@ .@:&zT@F*=1#'n f/@ީp e~ CHEMBL355560?[~EAN@CN(C)CCC1=C(Cc2cccnc2)c3ccccc3C1OSA$0ac450f0-d23b-4178-a086-cf310b3f528543 4.86668968 0.9744777080 4.6574502-0.003386735920 5.39968586 -0.6735259290 3.70597482 -0.3111119270 3.49673486 -1.288976310 2.54525948 -1.596701380 1.7313478 -1.003755210 1.73279893-0.003756225110 0.867500007 0.4975000020 000 -0.867500126 0.49750030 -0.867499888 1.502700330 1.96501929e-07 2.010400060 0.867500126 1.502700090 0.915692449 -1.594355460 -0.0664691553 -1.378149270 -0.736099899 -2.128469940 -0.426645696 -3.085481880 0.552439213 -3.292173150 1.22554672 -2.552604440 2.23266459 -2.55411839000000000000 0!0"0#0$0%0&0'0(0)0*045            ! "! #" $# %$ &%'&(')(*)+*,00H00000000-0000-0000-0000-0000000000004@ Q@_y@?xA kw'L'n f/@ީp e~ CHEMBL279520?[~EANTCN(C)CCNC(=O)C1=C\C(=C/c2cccnc2)\c3ccccc13OSA$b14f4825-a088-42ae-bf2f-fd5475ab821945 -3.5244205 -4.659297940 -2.5300498 -4.765255930 -2.12462664 -5.679385190 -1.94110227 -3.957084420 -0.946731687 -4.063042160 -0.357784331 -3.254870650 0.636586308 -3.36082840 1.04200935 -4.274957660 1.22553372 -2.552656890 0.915718734 -1.594336630 1.7313478 -1.003755210 1.73279893-0.003756225110 0.867500007 0.4975000020 000 -0.867500126 0.49750030 -0.867499888 1.5027003301.96501929e-07 2.010400060 0.867500126 1.502700090 2.54528546 -1.596719980 3.52807045 -1.383365150 4.19552088 -2.135626080 3.88329053 -3.091735840 2.90360999 -3.295584680 2.23265171 -2.55406570 -0.661851883 -2.569273950 2.38286138 0.3703009190000000 0!0"0#0$0%0&0'0(0)0*0+0,047              ! "!#"$#%$ &% '&(')(*)+*,+-,.00H00000000-0000-0000-0000-0000000000004@ Q@.G @e7I"HqorX'n f/@ީp e~ CHEMBL280220?[~EANbCCCc1c(C(=O)OCC)c2c3CN4CCc5cc(SC)ccc5C4Oc3ccc2n1C /OSA$fc6816d2-8a69-43eb-ad17-9ca5a7d1f24e62 8.14979458 6.405138970 7.44268799 5.698032380 7.70150709 4.732106690 6.99440002 4.02500010 5.23509979 4.02500010 4.52677393 4.730885510 4.78392601 5.697256570 3.56129599 4.470400330 2.85297036 5.176286220 1.88749254 4.915801050 5.23859978 3.010900020 4.36660004 2.504600050 3.49580002 3.013400080 2.62199998 2.510999920 1.74919999 3.020200010 0.870099902 2.518100020 0.874300003 1.503700020 0.00379991555 1.005200030000 -0.8669433 -0.4984068270 -0.868782043 -1.498405220 0.874200344 -0.5046002270 1.74120009-0.003200054170 1.74269998 0.9967998270 2.61619997 1.498299720 3.48769999 0.99389976304.3599 1.493799920 5.24180031 0.9866001610 6.11500025 1.493400220 6.11479998 2.501399990 6.99440002 3.009299990 7.86043882 2.509323120 0!0"0#0$0%0&0'0(0)0*0+0,0-0.0/000102030405060708090:0;0<0=066               !"# $!%"&#'$(%)&*'+(,) -* .+ /, 0- 1.2/30415263748596:7;8<9=:>;?<@=A00H00000000-0000-0000-0000-0000000000004@ Q@ff`@O$2IjZ'n f/@ީp e~ CHEMBL326450?[~EANhCCCCc1[nH]c2ccc3OC4N(CCc5cc(OC)ccc45)Cc3c2c1C(=O)OCC FOSA$9bdfc77b-cc99-471a-aead-7c5e3328749662 10.3404665 4.921573160 9.37454033 5.180392270 8.66743374 4.473285680 7.70150805 4.732105260 6.99440098 4.024998660 6.9944005 3.009298320 6.11480045 2.501398560 6.11499977 1.493398550 5.24179983 0.9865990880 4.3599 1.493799450 3.48769975 0.9938996430 2.61619997 1.498299840 2.62199998 2.510999920 1.74919999 3.020200010 0.870099902 2.518100020 0.874300003 1.503700020 0.00379991555 1.005200030000 -0.8669433 -0.4984068270 -0.868782043 -1.498405220 0.874199808 -0.504599810 1.74119973-0.003199815750 1.74269986 0.9968001250 3.4958005 3.013399360 4.36660051 2.504599330 5.23860073 3.010899070 5.23510075 4.024999140 4.52677488 4.730884550 4.78392696 5.697255610 3.56129694 4.470399380 2.85297132 5.176285270 1.88749349 4.915800090 7.64392948 2.634315490!0"0#0$0%0&0'0(0)0*0+0,0-0.0/000102030405060708090:0;0<0=066               !"# $!%"&#'$(%)&*'+(,)-*.+/, 0- 1. 2/30415263748596:7;8<9=:>;?<@=A00H00000000-0000-0000-0000-0000000000004@ Q@VHQ@_&@McW'n f/@ީp e~ CHEMBL280684?[~EANTCN(C)CCOC(=O)C1=C\C(=C/c2cccnc2)\c3ccccc13OSA$fcf289fe-58ee-441e-8ce0-ecb4de880b2b44 -3.5244205 -4.659297940 -2.5300498 -4.765255930 -2.12462664 -5.679385190 -1.94110227 -3.957084420 -0.946731687 -4.063042160 -0.357784331 -3.254870650 0.636586308 -3.36082840 1.04200935 -4.274957660 1.22553372 -2.552656890 0.915718734 -1.594336630 1.7313478 -1.003755210 1.73279893-0.003756225110 0.867500007 0.4975000020 000 -0.867500126 0.49750030 -0.867499888 1.5027003301.96501929e-07 2.010400060 0.867500126 1.502700090 2.54528546 -1.596719980 3.52807045 -1.383365150 4.19552088 -2.135626080 3.88329053 -3.091735840 2.90360999 -3.295584680 2.23265171 -2.55406570 2.38286138 0.37030091900000000 0!0"0#0$0%0&0'0(0)0*0+046              ! "!#"$# %$ &%'&(')(*)+*,+-00H00000000-0000-0000-0000-0000000000004@ Q@@@JDÚ'n f/@ީp e~ CHEMBL355392?[~EANLCC(C1=C(CCN2CCCCC2)Cc3ccccc13)c4ccccn4OSA$34d5d6cf-31c9-47ed-8949-d4ca75c515b953 1.10745776 3.815080170 0.899637163 4.793247220 -0.0513905324 5.102352620 -0.866025209 4.51040030 -0.866025269 3.510400303.81565997e-08 3.01040030-1.96808557e-07 2.01040030 -0.867500067 1.502700090 -0.867500007 0.4975000020 000 0.867500305 0.4975005390 0.867499888 1.502700570 -1.68079031 5.102447510 -1.36943424 6.06022930 -1.86598349 6.928258420 -1.36803269 7.796229360 -0.362232715 7.796170710 0.145616487 6.928141120 -0.362334371 6.060170650 1.64284444 5.462308410 1.43104351 6.444941040 2.17424178 7.114058970 3.12709188 6.810514930 3.33889294 5.827882290 2.59784389 5.148793700000000 0!0"0#0$0%0&0'0(0)0*0+0,0-0.0/0001020304056              !" #!$"%#&$'% (& )' *( +) ,* -+ ., /-0.1/2031425364700H00000000-0000-0000-0000-0000000000004@ Q@z@[m?KkEsF!'n f/@ީp e~ CHEMBL320552?[~EANXIC1=CC(=CC2=C1OC(=C2)C3=CN4CCC3CC4)[N](=O)=O$OSA$c4232c25-b088-4344-a48d-5391156cea13345 1.94897461 -3.453801630 2.45028019 -2.588531490 3.45599794 -2.584107160 3.96021104 -1.713818310 3.45870614 -0.8479536180 2.45870328 -0.8425138590 1.95388877 -1.713841080 0.969176769 -1.502876640 0.865299821 -0.5012545590 1.78600371 -0.09300490470 000 -3.97424117e-07 1.403100010 -1.21100032 2.111900090 -2.42200017 1.403099890 -2.421999937.17429671e-090 -1.21099997 -0.6945000290 -0.458900839 -0.03539985420 -0.4307005111.36780 4.9602108 -1.713880660 5.46026468 -0.8478865030 5.46015644 -2.57993722000000000000 0!037                  !" #!$00H00000000-0000-0000-0000-0000000000004@ Q?;`@%H蜤m'n f/@ީp e~ CHEMBL318995?[~EANhCCCCc1[nH]c2ccc3OC4N(CCc5cc(SC)ccc45)Cc3c2c1C(=O)OCC FOSA$f9fe7644-ce95-42e5-a88c-1a1bfa7238c262 10.3404665 4.921573160 9.37454033 5.180392270 8.66743374 4.473285680 7.70150805 4.732105260 6.99440098 4.024998660 6.9944005 3.009298320 6.11480045 2.501398560 6.11499977 1.493398550 5.24179983 0.9865990880 4.3599 1.493799450 3.48769975 0.9938996430 2.61619997 1.498299840 2.62199998 2.510999920 1.74919999 3.020200010 0.870099902 2.518100020 0.874300003 1.503700020 0.00379991555 1.005200030000 -0.8669433 -0.4984068270 -0.868782043 -1.498405220 0.874199808 -0.504599810 1.74119973-0.003199815750 1.74269986 0.9968001250 3.4958005 3.013399360 4.36660051 2.504599330 5.23860073 3.010899070 5.23510075 4.024999140 4.52677488 4.730884550 4.78392696 5.697255610 3.56129694 4.470399380 2.85297132 5.176285270 1.88749349 4.915800090 7.64392948 2.634315490!0"0#0$0%0&0'0(0)0*0+0,0-0.0/000102030405060708090:0;0<0=066               !"# $!%"&#'$(%)&*'+(,)-*.+/, 0- 1. 2/30415263748596:7;8<9=:>;?<@=A00H00000000-0000-0000-0000-0000000000004@ Q@ @W#'@Ϲ z3/'n f/@ީp e~ CHEMBL279225?[~EANZCN(C)CCN(C)C(=O)C1=C\C(=C/c2ccccn2)\c3ccccc13OSA$61c8e552-f644-407a-986e-3282f07c851748 3.12788606 -4.882609840 3.71804476 -4.075322630 4.71225548 -4.182771210 3.3139925 -3.16058660 3.9041512 -2.353299140 3.50009894 -1.438562990 2.50588822 -1.331114650 4.09025764 -0.6312755350 5.08446836 -0.7387243510 3.68620563 0.2834604680 2.70168567 0.4957892890 2.59954357 1.497589830 1.73499703 2.000142810 0.867500126 1.502700090 0.867500007 0.4975000020000 -0.867500126 0.49750030 -0.867499888 1.5027003301.96501929e-07 2.010400060 3.5206461 1.904617670 3.82870364 2.861951110 4.81420755 3.062372210 5.48498487 2.312911270 5.17025852 1.363029360 4.19229078 1.154188040 1.7372098 2.750139710000000 0!0"0#0$0%0&0'0(0)0*0+0,0-0.0/050               ! "!#"$#%$&%'&(' )(*)+*,+-,.-/.0/100H00000000-0000-0000-0000-0000000000004@ Q@3 @0SmG.ЯS0'n f/@ީp e~ CHEMBL239038?[~EANRC[N+]1(CCCC1)CC#CCOC2=NOC(=C2)C3=CC=CC=C3OSA$cb27d6f5-2972-4019-8822-8d20d02ce34d43 -0.169960201 2.284474370 0.500799954 1.542800071 -0.306499958 0.9519000050000 1.001500131.08633849e-070 1.31330001 0.9519001840 1.16928971 2.286521430 0.859452963 3.237311360 0.549616337 4.188101290 0.2397798 5.138891220 -0.73854661 5.345959660 -1.048383 6.296749590 -0.459352285 7.106919290 -1.05115569 7.918761730 -2.00089812 7.604301450 -2.00149941 6.60427380 -2.81137586 8.190071110 -3.72743464 7.776230810 -4.53796577 8.361979480 -4.44173384 9.357369420 -3.52567554 9.771210670 -2.70584893 9.1896610300000000000 0!0"0#0$0%0&0'0(0)0*045          ! "!#"$# %$ &%'&(')(*)+*,00H00000000-0000-0000-0000-0000000000004@ Q?dZ @ R>4Lg/f'n f/@ީp e~ CHEMBL239436?[~EAN8C[N+]1(CCCCC1)CC#CCOC2=NOCC2OSA$57308b2f-9b03-42a1-9c3c-c9b2b2a8e3a938 -0.644293427 2.775178910-1.96808557e-07 2.01040031 -0.867500067 1.502700090 -0.867500007 0.4975000020000 0.867500305 0.4975005390 0.867499888 1.502700570 0.64429307 2.775178910 0.304122031 3.715542550 -0.036048919 4.65590620 -0.376219779 5.596269610 -1.36068404 5.771854880 -1.70085478 6.712218760 -1.138111 7.540863990 -1.75564742 8.333308220 -2.69481587 7.988549230 -2.66334391 6.989016530000000000000000 0!0"0#0$0%039         !! ""##$$%%&00H00000000-0000-0000-0000-0000000000004@ Q@q@ &K^nAK,*'n f/@ީp e~ CHEMBL278129?[~EANTCN(C)CCOC(=O)C1=C\C(=C/c2ccncc2)\c3ccccc13OSA$2c635005-1a72-40ad-9468-81d4f90b6e7744 -6.66364813 1.215447660 -6.25689888 0.3019077180 -6.84467316 -0.5071172710 -5.26237535 0.1973928810 -4.85562611 -0.7161469460 -3.86110306 -0.8206616040 -3.45435405 -1.734201430 -4.04212856 -2.543226240 -2.45983076 -1.838716150 -1.78589404 -1.090269680 -0.866025448-1.50 -4.28310649e-08-10 000 -0.867500126 0.49750030 -0.867499888 1.5027003301.96501929e-07 2.010400060 0.867500126 1.502700090 0.867500007 0.4975000020 -0.971125782 -2.501527310 -0.293883085 -3.244984630 -0.610250175 -4.199604030 -1.5940783 -4.408687110 -2.26153946 -3.663151030 -1.95622575 -2.710880520 0.649519026-1.37500000000 0!0"0#0$0%0&0'0(0)0*0+046              ! "!#"$# %$ &%'&(')(*)+*,+-00H00000000-0000-0000-0000-0000000000004@ Q@B3@@P;OGUҋ7s'n f/@ީp e~ CHEMBL239655?[~EAN:CC1=CC(=NO1)OCC#CC[N+](C)(C)C&OSA$8a1b088b-82f9-42ff-a45f-7a39838dd4a532 -1.25769126 1.260501860 -0.306499958 0.9519000050000 1.001500131.08633849e-070 1.31330001 0.9519001840 0.500799954 1.542800070 1.58832145 -0.8097165230 2.58296728 -0.7063727970 3.16978836 -1.516089560 3.75660944 -2.325806380 4.34343052 -3.135523320 5.33807659 -3.032179831 5.2347331 -2.0375340 5.44142008 -4.02682590 6.33272266 -2.9288365800000000000000000032              00H00000000-0000-0000-0000-0000000000004@ Q@=p@NG[Hq쥣'n f/@ީp e~ CHEMBL26505?[~EANJCCN(CC)CCOC(=O)C(C)(c1ccccc1)c2ccccc2OSA$0e02a210-9265-410f-9a09-8a0b5d24baa051 7.37537766 -1.105613830 6.87793493 -0.2381170090 5.87793922 -0.2351667880 5.37538624 -1.099713330 5.87282896 -1.967210170 5.3804965 0.632330060 4.38050079 0.635280490 3.88305807 1.502777460 2.88306236 1.505727770 2.38050961 0.6411811710 2.38561964 2.373224740 1.88817704 3.24072170 0.867500126 1.502700090 0.867500007 0.4975000020000 -0.867500126 0.49750030 -0.867499888 1.5027003301.96501929e-07 2.010400060 3.90373921 3.243749380 3.90373969 4.248949530 4.77123976 4.746449470 5.63873959 4.248949050 5.63873959 3.243749140 4.77123928 2.73604941000000000 0!0"0#0$0%0&0'0(0)0*0+0,0-0.0/000102052           !!""##$$%%&& '' (( )) **++,,--..//001122300H00000000-0000-0000-0000-0000000000004@ Q?#9@Y&aG;f'n f/@ީp e~ CHEMBL278074?[~EAN^O=C(OC1CN2CCC1CC2)C3=C\C(=C/c4ccncc4)\c5ccccc35OSA$cb2fde29-611b-4813-afe0-9bc2533b850849-0.00289845467 -1.999997970 0.863850594 -1.501253490 0.865299821 -0.5012545590000-3.97424117e-07 1.403100010 -1.21100032 2.111900090 -2.42200017 1.403099890 -2.421999937.17429671e-090 -1.21099997 -0.6945000290 -0.458900839 -0.03539985420 -0.4307005111.36780 1.72915041 -2.002508160 1.83301365 -3.004294630 2.8177352 -3.214914560 3.22316027 -4.129042630 2.6342144 -4.937215330 1.64012384 -4.828371050 1.04811573 -5.640746120 1.45019794 -6.561965470 2.45029545 -6.662566660 3.04230356 -5.850191590 3.32264042 -2.343609570 4.30782557 -2.141627310 4.61436558 -1.183807130 3.94240165 -0.4354101120 2.96389747 -0.6448332070 2.64980769 -1.59424520 3.96893835 -4.2085094500000 0!0"0#0$0%0&0'0(0)0*0+0,0-0.0/00053              !"# $!%"&#'$ (% )& *' +( ,)-*.+/,0-1.2/30400H00000000-0000-0000-0000-0000000000004@ Q@@0nv@ϗoֆ'n f/@ީp e~ CHEMBL239866?[~EAN0C1CCN(CC1)CC#CCOC2=NOCC2OSA$24e833a0-12c8-41df-b04c-7248f706e70434000 -0.867500126 0.49750030 -0.867499888 1.5027003301.96501929e-07 2.010400060 0.867500126 1.502700090 0.867500007 0.49750000203.74800919e-07 3.010400060 -0.866024911 3.51040030 -1.73205018 4.010400770 -2.59807539 4.510401250 -3.46410084 4.010401730 -4.33012581 4.51040220 -4.43364143 5.506704330 -5.41648626 5.714874270 -5.91261673 4.846110340 -5.24455595 4.1019663800000000000000000 0!035            !!"00H00000000-0000-0000-0000-0000000000004@ Q@\ @Ccd3A $=L'n f/@ީp e~ CHEMBL320465?[~EANfCCCc1[nH]c2ccc3OC4N(CCc5cc(OC)ccc45)Cc3c2c1C(=O)OCC OSA$7b74c8f2-fb4c-4917-8e38-b54817ed459159 8.14979553 6.405137540 7.44268894 5.698030950 7.70150805 4.732105260 6.99440098 4.024998660 6.9944005 3.009298320 6.11480045 2.501398560 6.11499977 1.493398550 5.24179983 0.98659908804.3599 1.493799450 3.48769975 0.9938996430 2.61619997 1.498299840 2.62199998 2.510999920 1.74919999 3.020200010 0.870099902 2.518100020 0.874300003 1.503700020 0.00379991555 1.005200030000 -0.8669433 -0.4984068270 -0.868782043 -1.498405220 0.874199808 -0.504599810 1.74119973-0.003199815750 1.74269986 0.9968001250 3.4958005 3.013399360 4.36660051 2.504599330 5.23860073 3.010899070 5.23510075 4.024999140 4.52677488 4.730884550 4.78392696 5.697255610 3.56129694 4.470399380 2.85297132 5.176285270 1.88749349 4.915800090 7.64392948 2.634315490 0!0"0#0$0%0&0'0(0)0*0+0,0-0.0/000102030405060708090:063              !"# $!%"&#'$(%)&*'+(,) -* .+ /, 0- 1.2/30415263748596:7;8<9=:>00H00000000-0000-0000-0000-0000000000004@ Q@{3@@ez@N|'n f/@ީp e~ CHEMBL352404?[~EANNCOc1ccc2CC(=C(C(C)c3ccccn3)c2c1)CCN(C)C OSA$21413a63-6c2d-42bc-a94f-8fb7bde671e350 0.68852371 -1.736472250 1.66667032 -1.944388870 2.3358047 -1.201247450 3.31901169 -1.413232560 3.98866963 -0.6696690320 3.68616676 0.2834981080 4.19234276 1.154172780 3.52061701 1.904604430 2.59954357 1.497589830 1.73499703 2.000142810 1.73794734 3.000138520 0.867500126 1.502700090 0.867500007 0.4975000020 000 -0.867500126 0.49750030 -0.867499888 1.5027003301.96501929e-07 2.0104000602.701689 0.4957572520 2.02225566 -0.2456986610 3.73132277 2.882153990 2.99009299 3.553405280 3.20079899 4.530954840 2.45956945 5.202206610 4.15273476 4.83725262000000000 0!0"0#0$0%0&0'0(0)0*0+0,0-0.0/0001052           ! "! #" $# %$ &%'&(')(*)+*,+-,.-/.0/1021300H00000000-0000-0000-0000-0000000000004@ Q@\ @3[3#DEo'n f/@ީp e~ CHEMBL344327?[~EAN8C1CN2CCC1C(=C2)c3cc4ccccc4s3OSA$af925dd7-faa3-44dd-92a3-1996fedf50ea32000 0.0282000322 1.403200270 -0.75210005 2.147300240 -1.96309996 1.438500170 -1.96309996 0.03540010380 -0.752099991 -0.6591000560 0.458900541 0.03540050980 0.458900124 1.438500520 1.32420063 -0.4658536910 2.24490404 -0.05760350450 2.91760421 -0.8071120980 3.91760707 -0.8125511410 4.41911268 -1.678415420 3.9149003 -2.548704860 2.90918255 -2.553129910 2.4127903 -1.678439860 1.42807806 -1.46747577000000000000000035                 !"00H00000000-0000-0000-0000-0000000000004@ Q?ᕁ@5N/?NQ 'n f/@ީp e~ CHEMBL331497?[~EAN>Oc1cccc(c1)c2ccoc2C3=CN4CCC3CC4oOSA$946b10f6-6835-44b6-bf41-9ae3d97f7a9337 4.09874153 2.486692430 3.14914393 2.173221590 2.40096784 2.844533440 1.45132542 2.531098370 1.24226701 1.553163290 1.99044299 0.8818513150 2.94767761 1.188474540 1.78134358 -0.09604302790 2.4514606 -0.8403180840 1.94912958 -1.705025670 0.969821095 -1.500451330 0.865299821 -0.5012545590 000 -3.97424117e-07 1.403100010 -1.21100032 2.111900090 -2.42200017 1.403099890 -2.421999937.17429671e-090 -1.21099997 -0.6945000290 -0.458900839 -0.03539985420 -0.4307005111.36780 4.25123549 3.22102594000000000000 0!0"0#0$040               !" #!$"%#&$'00H00000000-0000-0000-0000-0000000000004@ Q?@|@;J,M OV)'n f/@ީp e~ CHEMBL353290?[~EANLCC(C1=C(CCN(C)C)Cc2ccc(F)cc12)c3ccccn3OSA$daa61ab4-062d-416e-9b3e-faeef64fe0a646 1.73794734 3.000138520 1.73499703 2.000142810 2.59954357 1.497589830 3.52061701 1.9046047903.731323 2.882154460 2.990093233.5534060 3.20079947 4.530955310 2.45956993 5.202207090 4.15273523 4.837253090 4.19234276 1.154173140 3.68616652 0.2834983470 3.98866963 -0.6696688530 3.31901169 -1.413232450 2.3358047 -1.201247330  1.66667032 -1.944388870 2.02225566 -0.24569851202.701689 0.4957574010 0.867500126 1.502700090 0.867500007 0.4975000020000 -0.867500126 0.49750030 -0.867499888 1.5027003301.96501929e-07 2.010400060000000000 0!0"0#0$0%0&0'0(0)0*0+0,0-048              ! "!#"$#%$&% '& (' )( *)+*,+-,.-/00H00000000-0000-0000-0000-0000000000004@ Q@@;:[4No_t'n f/@ީp e~ CHEMBL354841?[~EANLCC(C1=C(CCN(C)C)Cc2cc(C)ccc12)c3ccccn3OSA$96bf348a-7d66-47d4-8730-fc597460119649 1.73794734 3.000138520 1.73499703 2.000142810 2.59954357 1.497589830 2.70190263 0.4956483240 1.95685816 -0.1713665130 2.16198778 -1.15010130 1.41694331 -1.817116020 1.6220727 -2.795850750 0.466769397 -1.505395770 3.68630695 0.2835505010 4.19251966 1.15409660 5.17800665 1.354599830 5.48598433 2.311958790 6.46412992 2.51987910 4.81514454 3.06136370 3.83632731 2.853409770 3.52081275 1.904470320 0.867500126 1.502700090 0.867500007 0.4975000020000 -0.867500126 0.49750030 -0.867499888 1.5027003301.96501929e-07 2.010400060000000000 0!0"0#0$0%0&0'0(0)0*0+0,0-0.0/00051             ! "!#"$#%$&% '& (' )( *) +* ,+-,.-/.0/10200H00000000-0000-0000-0000-0000000000004@ Q@f`@H/ᓹNx]!(/'n f/@ީp e~ CHEMBL352966?[~EANLCC(C1=C(CCN(C)C)Cc2ccc(C)cc12)c3ccccn3OSA$fac74d7c-b7d3-45fe-b384-7e7979d524fa49 1.73794734 3.000138520 1.73499703 2.000142810 2.59954357 1.497589830 3.52061701 1.9046047903.731323 2.882154460 2.990093233.5534060 3.20079947 4.530955310 2.45956993 5.202207090 4.15273523 4.837253090 4.19234276 1.154173140 3.68616652 0.2834983470 3.98866963 -0.6696688530 3.31901169 -1.413232450 2.3358047 -1.201247330 1.66667032 -1.944388870 2.02225566 -0.24569851202.701689 0.4957574010 0.867500126 1.502700090 0.867500007 0.4975000020000 -0.867500126 0.49750030 -0.867499888 1.5027003301.96501929e-07 2.010400060000000000 0!0"0#0$0%0&0'0(0)0*0+0,0-0.0/00051              ! "!#"$#%$&% '& (' )( *)+*,+-,.-/.0/10200H00000000-0000-0000-0000-0000000000004@ Q@e9@S4Gu2׽'n f/@ީp e~ CHEMBL352779?[~EANLCN(C)CCNC(=O)C1=C(Cc2ccccn2)c3ccccc3C1OSA$2747bc7b-6771-4f56-a251-0a484765ecff47 1.92904496 6.851006980 2.67027497 6.179755690 3.6222105 6.486053940 2.45956922 5.202206130 3.20079899 4.530954840 2.99009299 3.553405280 3.73132277 2.882153990 4.68325806 3.188452240 3.52061701 1.904604430 2.59954357 1.497589830 1.73499703 2.000142810 0.867500126 1.502700090 0.867500007 0.4975000020 000 -0.867500126 0.49750030 -0.867499888 1.5027003301.96501929e-07 2.0104000602.701689 0.4957572520 2.02225566 -0.2456986610 2.3358047 -1.201247450 3.31901169 -1.413232560 3.98866963 -0.6696690320 3.68616676 0.2834981080 4.19234276 1.154172780 2.27614117 3.3236818300000000 0!0"0#0$0%0&0'0(0)0*0+0,0-0.049            ! "!#"$# %$ &% '& (')(*)+*,+-,.-/.000H00000000-0000-0000-0000-0000000000004@ Q@5G@Î(dN|ЌM'n f/@ީp e~ CHEMBL333670?[~EANDBrc1oc(C2=CN3CCC2CC3)c(c1)c4ccccc4<OSA$92260f06-8e79-4198-bd5a-dedd338c6c3636# 2.35624361 -2.618402960 1.94912958 -1.705025670 0.969821095 -1.500451330 0.865299821 -0.5012545590000-3.97424117e-07 1.403100010 -1.21100032 2.111900090 -2.42200017 1.403099890 -2.421999937.17429671e-090 -1.21099997 -0.6945000290 -0.458900839 -0.03539985420 -0.4307005111.36780 1.78134358 -0.09604302790 2.4514606 -0.8403180840 1.99044299 0.8818513150 1.24226737 1.553163890 1.45132637 2.531098840 2.40096903 2.844533210 3.14914465 2.173220870 2.94767761 1.188474060000000000000 0!0"0#039                     !" #!$"%#&00H00000000-0000-0000-0000-0000000000004@ Q?iI@;AʩK3X 'n f/@ީp e~ CHEMBL342958?[~EAN8C1CN2CCC1C(=C2)c3nc4ccccc4s3^OSA$33d2e94f-20de-4033-950a-1ab7cb405aa331 4.66512632 0.7630370860 5.34415674 -0.4652475420 6.39234877 -0.7179272170 7.08486652 0.5024570230 6.38148546 1.71651840 4.98548651 1.710368750 4.28579998 0.502357960 4.98918104 -0.7117038370 3.28579998 0.5022998450 2.69379973 -0.312500060 1.73599982-0.001199961640 0.867999911 -0.4977999630 000 1.86611331e-07 1.00580120 0.868000329 1.513800860 1.73600018 1.005800490 2.69380021 1.3169000100000000000000034                !00H00000000-0000-0000-0000-0000000000004@ Q?T`@oYb7C㎪MC'n f/@ީp e~ CHEMBL343697?[~EANLC[N+]12CCC(CC1)C(C2)C3CC4=C(O3)C=CC=C4uOSA$e4429029-3f3f-436e-aae3-a91e7cfff9e840 -0.7520997523.14730 -0.7520999312.14731 0.0282000322 1.403199910000 -0.752099991 -0.6590998170 -1.96310008 0.03540015220 -1.96310008 1.438500170 0.458900064 0.03540009260 0.458900332 1.438500170 1.32419991 -0.4658545260 2.24490404 -0.05760487170 2.91760349 -0.8071139450 2.41278887 -1.678441170 1.42807686 -1.467476610 2.9091804 -2.553131820 3.91489816 -2.548707490 4.41911125 -1.678418520 3.91760635 -0.812553763000000000000000 0!0"0#0$0%0&0'043             !" #! $" %# &$'%(&)'*00H00000000-0000-0000-0000-0000000000004@ Q@ @uʘߒSKƖo4jNew compounds 0New compounds uu rAPckStructure<Rule> <Rule> <Column></Column> <UserCreated>0</UserCreated> <RemoveSalts>1</RemoveSalts> <UseFileDiagramCoords>True</UseFileDiagramCoords> <CombineConformers>False</CombineConformers> </Rule> </Rule> qDDJ!_/LID<Rule> <Rule> <Column></Column> <UserCreated>0</UserCreated> <ValueType>0</ValueType> <Value></Value> <IncrementStart>1</IncrementStart> <IncrementChange>1</IncrementChange> <Temporary>0</Temporary> </Rule> </Rule> #i09D)0@&iKi (uM)<RulesList> <Rule> <Column>Ki (uM)</Column> <UserCreated>1</UserCreated> <ValueType>0</ValueType> <Value></Value> <IncrementStart>1</IncrementStart> <IncrementChange>1</IncrementChange> <Temporary>0</Temporary> <Units>1</Units> <SDType>2</SDType> <SD>3</SD> <SDColumn></SDColumn> <RemoveColumn>0</RemoveColumn> <KeepOriginals>0</KeepOriginals> <UseValue>1</UseValue> <Precision>0</Precision> <FloatingPointDisplay>Default</FloatingPointDisplay> </Rule> </RulesList>  T84@ΞN~t)qDDJ!_/L CHEMBL353500uu rAPckO=C(CCNC(=O)[C@@H]1CCCN1C(=O)CC(c2ccccc2)(c3ccccc3)c4ccccc4)NCC5CCCN(CC6CCCCC6)C5?OSA$593182d0-7e55-4e26-899d-6a34d8db139d103O1 11.3823414 0.4903221130C2 11.0733242 -0.4607343970C3 10.0951767 -0.6686460970C4 9.42604637 0.07449873540N5 8.44789886 -0.1334129570C6 7.77876806 0.6097318530O7 6.80062056 0.4018201830C8 8.08778572 1.560788390H9 7.47541904 1.463799120 C10 9.0388422 1.869805340 C11 9.0388422 2.869805340 C12 8.08778572 3.178822280 N137.5 2.369805340 C146.5 2.369805340O157 3.235830780C166 1.503780010C175 1.503780010C185 0.5037799480C19 4.13397455 0.00377997360C20 4.13397455 -0.9962200520C215 -1.496219990C22 5.86602545 -0.9962200520C23 5.86602545 0.00377997360C245 2.503779890C25 5.86602545 3.003779890C26 5.86602545 4.003779890C275 4.503779890C28 4.13397455 4.003779890C29 4.13397455 3.003779890C304 1.503780010C313.5 2.369805340C322.5 2.369805340 C332 1.503780010!C342.5 0.637754560"C353.5 0.637754560#N36 11.7424555 -1.203879240$C37 12.720603 -0.9959675070%C38 13.3897333 -1.739112380&C39 13.0807161 -2.690168860'C40 13.7498474 -3.433313610(C41 14.7279949 -3.225402120)N42 15.0370121 -2.27434540*C43 16.0151596 -2.066433910+C44 16.6842899 -2.809578660,C45 16.3752728 -3.760635140-C46 17.0444031 -4.503779890.C47 18.0225506 -4.29586840/C48 18.3315678 -3.3448116800C49 17.6624374 -2.6016669301C50 14.3678808 -1.5312006502H51 9.56938648 -0.99719595903H52 10.3274326 -1.2435001104H53 9.95183659 0.40304860505H54 9.19379044 0.64935272906H55 8.25630856 -0.72306799907H56 9.1677475 1.2633538208H57 9.65544605 1.9346129909H58 9.65544605 2.804997680:H59 9.1677475 3.476256850;H60 8.33996296 3.745220420<H61 7.55084991 3.488822460=H62 5.89233828 0.8931992050>H63 6.58260965 1.291727540?H64 3.59703875 0.313779980@H65 3.59703875 -1.306220050AH665-2.116220BH67 6.40296125 -1.306220050CH68 6.40296125 0.313779980DH69 6.40296125 2.693779950EH70 6.40296125 4.313779830FH715 5.123779770GH72 3.59703875 4.313779830HH73 3.59703875 2.693779950IH74 3.80999994 2.906741140JH75 2.19000006 2.906741140KH761.38 1.503780010LH77 2.19000006 0.1008188130MH78 3.80999994 0.1008188130NH79 11.5508652 -1.793534280OH80 13.2463932 -0.6674176450PH81 12.4883471 -0.4211135210QH82 12.7832813 -1.868017550RH83 12.533289 -2.399096490SH84 12.6990061 -3.178735730TH85 13.2240582 -3.761863710UH86 13.9821033 -4.008167740VH87 14.7496328 -3.845024350WH88 15.3419609 -3.311689620XH89 16.5409489 -1.737884040YH90 15.7829037 -1.491579890ZH91 16.0778389 -2.938483720[H92 15.8278456 -3.469562770\H93 15.9935627 -4.249201770]H94 16.5186138 -4.832329750^H95 17.276659 -5.078633790_H96 18.0441875 -4.915490630`H97 18.6365166 -4.38215590aH98 18.8789959 -3.635884050bH99 18.7132778 -2.856245040cH100 18.1882267 -2.273117070dH101 17.4301815 -2.026813030eH102 14.8936701 -1.202650550fH103 14.1356249 -0.9563466910108             ! " !#!"$"%#&#$'$%(%&)&'*'(+(),)*-*+.+,/,-0-.1./2/03+04)15%162738495:6; 7< 8= 9> :? ;@ <A=B>C?D@EAFBGCHDIEJFKGLHMINJO KP!LQ"MR#NS$OT$PU%QV&RW&SX'TY'UZ(V[(W\*X]*Y^+Z_,[`,\a-]b-^c._d.`e/af/bg0ch0di1ej1fk0H00000000-0000-0000-0000-000000000000#i09D)0@&i?O@$ RwDёL/qDDJ!_/L CHEMBL352808uu rAPckZCNC(=O)Oc1cccnc1COC(=O)C(C)(c2ccccc2)c3ccccc3 OSA$9ed08b24-463e-4560-b5fc-1475b44278f351C1 10.66025452.750N2 9.794228552.250C3 9.794228551.250O4 10.66025450.750O5 8.928203580.750C6 8.92820358-0.250C7 9.79422855-0.750C8 9.79422855-1.750C9 8.92820358-2.250 N10 8.06217766-1.750 C11 8.06217766-0.750 C12 7.19615221-0.250 O13 6.33012724-0.750 C14 5.46410179-0.250O15 5.464101790.750C16 4.59807634-0.750C17 5.09807634 -1.616025450C18 3.7320509-1.250C19 2.86602545-0.750C202-1.250C212-2.250C22 2.86602545-2.750C23 3.7320509-2.250C24 4.09807634 0.1160254030C25 4.59807634 0.9820508360C26 4.09807634 1.848076220C27 3.09807611 1.848076220C28 2.59807611 0.9820508360C29 3.09807611 0.1160254030H30 10.9702539 2.213064190H31 11.1971903 3.059999940H32 10.350255 3.286935810 H33 9.25729275 2.559999940!H34 10.3311644 -0.4400000570"H35 10.3311644 -2.059999940#H36 8.92820358 -2.869999890$H37 7.59468031 0.2249475870%H38 6.79762363 0.2249474970&H39 4.56114054 -1.926025390'H40 5.40807629 -2.152961250(H41 5.63501215 -1.306025510)H42 2.86602545 -0.1299999950*H43 1.46306419 -0.9399999980+H44 1.46306419 -2.559999940,H45 2.86602545 -3.369999890-H46 4.2689867 -2.559999940.H47 5.21807623 0.9820508360/H48 4.40807629 2.3850119100H49 2.78807616 2.3850119101H50 1.9780761 0.98205083602H51 2.78807616 -0.420910358053           ! "!#"$#% $& %'&(')(*)+*,+-,.-/.0/10213240H00000000-0000-0000-0000-000000000000#i09D)0@&i@qDDJ!_/L CHEMBL339719uu rAPckJCOC(=O)c1cccc(c1)c2ccoc2C3=CN4CCC3CC4 rOSA$399cca97-53f8-4c45-b033-84550b9e506742C1 3.52939415 4.394008160O2 3.98338461 3.503001690C3 3.43874574 2.664330960O4 2.44011617 2.716666940C5 3.8927362 1.773324490C6 4.89136553 1.720988630C7 5.34535599 0.8299820420C8 4.80071735-0.008688516910C9 3.80208755 0.04364743830 C10 3.34809709 0.9346539380 C11 3.25744867 -0.7950231430 C12 2.2588191 -0.8473590610 C132 -1.813284870 O14 2.83867049 -2.357923980C15 3.61581659 -1.72860360C16 4.58174229 -1.987422590C17 5.44776773 -1.487422590N18 5.81835699 -2.836062190C19 3.84481239 -3.454315420C20 4.18683243 -4.394008160C21 5.55953789 -3.801987890C22 6.95847607 -4.310807230C23 7.21729517 -3.34488130H24 4.0818181 4.675482270H25 3.24792004 4.946432110H26 2.9769702 4.112534050H27 5.22904158 2.240964410H28 5.96450615 0.797533810H29 5.08219147 -0.5611125230H30 2.72894669 0.967102230H31 1.86864054 -0.3655285540H32 1.42118013 -2.035472870 H33 5.68320608 -0.9138646130!H34 3.65051913 -2.865545510"H35 3.25905538 -3.657511710#H36 3.60843968 -4.617305760$H37 4.42129135 -4.967967510%H38 5.96494055 -3.332894330&H39 6.76354551 -4.899366380'H40 7.55244255 -4.488581180(H41 7.81126165 -3.522655250)H42 7.41222572 -2.75632191045              ! " #!$"%#&$'%(&)'*(+),0H00000000-0000-0000-0000-000000000000#i09D)0@&i?Sr@D`vrqDDJ!_/L CHEMBL338801uu rAPck@CCc1cccc(c1)c2ccoc2C3=CN4CCC3CC4 nOSA$1dc75024-b6ee-48d1-9fee-8036b38a934a42C1 3.98338461 3.948504920C2 3.43874574 3.109834430C3 3.8927362 2.218827720C4 4.89136553 2.166491750C5 5.34535599 1.275485280C6 4.80071735 0.4368147550C7 3.80208755 0.4891507030C8 3.34809709 1.380157230C9 3.25744867 -0.3495198790 C10 2.2588191 -0.4018558260 C112 -1.367781640 O12 2.83867049 -1.912420630 C13 3.61581659 -1.283100250 C14 4.58174229 -1.541919350C15 5.44776773 -1.041919350N16 5.81835699 -2.390558960C17 3.84481239 -3.008812190C18 4.18683243 -3.948504920C19 5.55953789 -3.356484650C20 6.95847607 -3.865303750C21 7.21729517 -2.899378060H22 4.50336027 3.610828880H23 4.32106066 4.468480590H24 3.46340871 4.286180970H25 2.9853065 3.532673360H26 2.94359159 2.736709120H27 5.22904158 2.686467410H28 5.96450615 1.24303710H29 5.08219147 -0.1156092440H30 2.72894669 1.412605520H31 1.86864042 0.07997468110H32 1.42118013 -1.589969750 H33 5.68320608 -0.4683613480!H34 3.65051913 -2.420042280"H35 3.25905538 -3.212008480#H36 3.60843968 -4.171802520$H37 4.42129135 -4.522464280%H38 5.96494055 -2.887391090&H39 6.76354551 -4.453863140'H40 7.55244255 -4.043077950(H41 7.81126165 -3.077152010)H42 7.41222572 -2.31081867045              ! " #!$"%#&$'%(&)'*(+),0H00000000-0000-0000-0000-000000000000#i09D)0@&i?hM@@m0j,E}ug}qDDJ!_/L CHEMBL283320uu rAPckTCN(C)CCNC(=O)C1=C\C(=C/c2ccncc2)\c3ccccc13 OSA$931e6f38-366f-4362-9bbd-ea95b42e1d6145C1 6.89942598 -3.965621470N2 7.56726933 -3.221319910C3 8.54577541 -3.427538630C4 7.25660706 -2.27079940C5 6.27810097 -2.064580680N6 5.9674387 -1.11406040C7 4.98893309 -0.9078416820O8 4.32108927 -1.652143240C9 4.67827082 0.04267867650 C10 5.26187944 0.8474109770 C11 4.67827082 1.652143240 C12 4.98893309 2.602663760 C13 5.9674387 2.808882470 C14 6.63528252 2.064580680C15 7.61378813 2.27079940N16 7.92445087 3.221319910C17 7.25660706 3.965621470C18 6.27810097 3.759402750C19 3.7320509 1.347411040C20 2.86602545 1.847411040C212 1.347411040C222 0.3474109770C23 2.86602545 -0.1525890080C24 3.7320509 0.3474109770H25 6.43795872 -3.551558490H26 6.48536301 -4.427088740H27 7.36089325 -4.379684450H28 8.41792011 -4.034212110H29 9.15244865 -3.555394170H30 8.67363071 -2.820864920H31 7.87042284 -2.183449750H32 7.27717257 -1.651140570 H33 5.66428518 -2.151930330!H34 6.25753546 -2.684239630"H35 6.38150167 -0.6525933740#H36 5.88187933 0.8474109770$H37 4.57486963 3.064130540%H38 6.44267178 1.475258110&H39 8.0278511 1.809332370'H40 7.4492178 4.554944040(H41 5.86403799 4.220869540)H42 2.86602545 2.467411040*H43 1.46306419 1.65741110+H44 1.46306419 0.03741097080,H45 2.86602545 -0.772589028047             ! "!#"$ #% $& %'&(')(*)+*,+-,.0H00000000-0000-0000-0000-000000000000#i09D)0@&i@2`@t͗TIκpqDDJ!_/L CHEMBL275104uu rAPck*O=C1CCON1CC#CCN2CCCC2OSA$6b884594-1ad1-4bd4-a95c-d93bcc3b460d31O1 7.16716671 2.02876830C2 6.21611023 2.337785240C3 5.90709305 3.288841720C4 4.90709305 3.288841720O5 4.59807634 2.337785240N6 5.407093051.750C7 5.407093050.750C8 4.54106760.250C9 3.67504239-0.250 C10 2.80901694-0.750 N11 2.80901694-1.750 C122 -2.337785240 C13 2.30901694 -3.288841720 C14 3.30901694 -3.288841720C15 3.61803389 -2.337785240H16 6.51354456 3.417747020H17 5.84228516 3.905445340H18 4.97190046 3.905445340H19 4.30064154 3.417746780H20 5.61914539 0.167390570H21 6.01767397 0.8576618430H22 2.59696436 -0.167390570H23 2.19843602 -0.8576618430H24 1.69000006 -1.800849440H25 1.43360186 -2.589962010H26 1.70256543 -3.417747020H27 2.3738246 -3.905445340H28 3.24420929 -3.905445340H29 3.91546845 -3.417747020H30 4.18443203 -2.589962010H31 3.92803383 -1.80084944032                  0H00000000-0000-0000-0000-000000000000#i09D)0@&i?V @cKF_7qDDJ!_/L CHEMBL105593uu rAPckfCCOC(=O)c1c(C)[nH]c2ccc3OC4N(CCc5cccc(Cl)c45)Cc3c12 OSA$e8dcdf0d-cb0d-4431-99b7-46ddb969adfe49C1 7.91420412 -3.608848810C2 7.24064255 -2.86971760O3 6.26375532 -3.083473440C4 5.59019375 -2.344342230O5 5.8935194 -1.391455290C6 4.61330652 -2.558098080C7 4.19862938 -3.50690150C8 4.70529079 -4.369046690N9 3.16794801 -3.407499550 H10 2.75745463 -3.872144940 C11 2.94223762 -2.396935460 C12 2.04015875 -1.876120090 C13 2.04818869 -0.8345201610 C14 2.95818973 -0.3276744190O15 2.95818973 0.6723255520C16 3.82421517 1.172325610N17 4.69024086 0.6723255520C18 5.60024166 1.179171320C19 5.6082716 2.220771310C20 4.70619297 2.741586690C21 4.71455717 3.826549290C22 3.77492404 4.369046690C23 2.8395009 3.819321630C24 2.85622883 2.734455820Cl252 2.217859270C26 3.80815601 2.213832620C27 4.69024086 -0.3276744190C28 3.82421517 -0.8276744480C29 3.84027457 -1.869181510H30 7.45594263 -4.026456830H31 8.3318119 -4.067110060H32 8.37246513 -3.191240550 H33 7.76445866 -2.538030150!H34 7.00495386 -2.29626250"H35 4.17076063 -4.683176520#H36 5.01942062 -4.903576850$H37 5.23982096 -4.054916860%H38 1.50203204 -2.184048180&H39 1.5148735 -0.5183321240'H40 3.28490567 1.478177190(H41 5.80479145 0.5938855410)H42 6.2118969 1.280551670*H43 6.21829081 2.109972950+H44 5.82182074 2.80283380,H45 5.25268364 4.134477140-H46 3.77253413 4.989042280.H47 2.29901648 4.123092170/H48 4.90229321 -0.91028386400H49 5.30082178 -0.220012575053              !"# $!%"&#'$( %) &*'+(,)-*.+/,0-1.2/3040H00000000-0000-0000-0000-000000000000#i09D)0@&i@if`@x"oN-ZqDDJ!_/L CHEMBL105148uu rAPckhCCOC(=O)c1c(CC)[nH]c2ccc3OC4N(CCc5cc(OC)ccc45)Cc3c12 |OSA$ee1eb44b-d65a-4ba3-ad67-dd283963b20856C1 7.87404537 -3.922246930C2 7.2004838 -3.183115960O3 6.22359657 -3.396871810C45.550035 -2.657740590O5 5.85336065 -1.704853650C6 4.57314777 -2.871496440C7 4.15847063 -3.820299630C8 4.66513205 -4.682445050C9 4.17182302 -5.552299020 N10 3.12778926 -3.720897910 H11 2.71729589 -4.185543060 C12 2.90207887 -2.710333820 C132 -2.189518450 C14 2.00802994 -1.147918460C15 2.91803098 -0.641072750O16 2.91803098 0.358927280C17 3.78405643 0.858927250N18 4.65008211 0.358927280C19 5.56008291 0.8657730220C20 5.56811285 1.907372950C21 4.66603422 2.428188320C22 4.67439842 3.513150930C23 3.73476529 4.055648330O24 3.73091078 5.05564070C25 2.86296463 5.552299020C26 2.79934216 3.505923510C27 2.81607008 2.42105770C28 3.76799726 1.900434260C29 4.65008211 -0.641072750C30 3.78405643 -1.141072750C31 3.80011582 -2.182579760H32 7.41578388 -4.339855190 H33 8.29165363 -4.380508420!H34 8.33230686 -3.504638670"H35 7.72429991 -2.851428510#H36 6.96479511 -2.609660860$H37 5.14313793 -5.077300070%H38 5.13699341 -4.280267240&H39 3.63251352 -5.246447560'H40 3.86597133 -6.091608520(H41 4.71113253 -5.858150480)H42 1.46187329 -2.497446540*H43 1.47471476 -0.8317304250+H44 3.24474692 1.164778830,H45 5.7646327 0.2804872390-H46 6.17173815 0.967153370.H47 6.17813206 1.796574470/H48 5.78166199 2.4894354300H49 5.21252489 3.8210790201H50 3.17089272 6.0904254902H51 2.32483792 5.8602271103H52 2.55503654 5.0141725504H53 2.25885773 3.8096940505H54 2.28520823 2.1007678506H55 4.86213446 -1.2236821707H56 5.26066303 -0.533410907060           ! 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