SmilesFragFp idcoordinates2D FragFp SkelSpheres Structure of SMILES SMILES Scaffold R1 R2 R3 R4 % Affinity (screening 10uM) UMAP X UMAP Y UMAP Z UMAP X 2 UMAP Y 2 UMAP Z 2 :UvzvUzrKzxvTvzUzUnQNuziEeU5oROjjvqEaXjuIqXik7XH3Jdn93hCRFWWCWq1dbnVaH_@G0F1WF7X0V0Fk !B?`BH@k\B?`BH?_x@m?vw@oy?mwt 2FPF2081&24F8010N0m*2HV50V82#6!V02$141F!10W!10204048&4#10V 01%1/&1&71&1,4!105+1/(1$5!205$2/+1-1+21,12#1$11(1,1#1)301%4%1,1/&2,1%4//102*1#1!103!1%1/1/#4$1,1/(7&2,3/)4$4$2&13/!1/)4)202!4!1.43!6*1#21/#2#1.10202,31!14#1$1//01$11#3!45/-2/&1,1*2!1*2$z(1)2&1#1!112%I$1$1!11/*2(1%3)1%1,4!1*1$3/5)4!2!11&1/01%1!3.2#1)16/04*4- efUVDH@JI@bklSL`@cIEDelhhieEEEEdeEiDWaQpIM\]c|SPHESU@u@U@UQPQAiP@@ O=C(C(N(C(CN1CCN(C)CC1)=O)c(cc1)cc2c1[s]cn2)c1ccnc2ccccc12)NC(C)(C)C dmUDHHfa@IJA[qUqrJJJVZjZZ@@ gJPHB@Q}T@@ dmN@`@d@RfV]iaT@@H@@@ dev@PJ@Hd@RfUJxZA@h@@ die@`@y`CIHddZzjjh@@ 16.30 2.1432216 2.5741465 2.4257944 1.363109 -1.0140038 -4.882655 ;vzvU:KzxvTtzUzUnvvuziEuUBrSQ:vTEbHjtQreglbXLbx9zdAj_RNddA8jWWbvX@Pp2lJK1mFIrFX0GV !B?`BH@k\B?`BH?_x@m?vw@oy?mwt vJPl2184804F0F#N0W080V!F&HF05!8$41VV02808!40F!1#V102#4,10V #1//#7/!3!4$6+1/(1$6$5$2/+1/*2#1(102.1!3/,2%112/!1$1)6(1(1/0101011!2011!1)1%3/1!1#1021.1(2/1,1$1$1,@#1!2,12102/01014!10401!5/&2!2/$1101042-5/!4!16.2/1!12#1.1)1$10701!4)1%1/&2-3!5@/$1(1%1(1/(1/%2$z%501/01(1!4#E(1*2/,4(2#1/)6!1*1/#105$1$102#101!1/-3,102.5/%4#104+10 enUZJH@LBOLbYDaojP@cIEEheEELhhdhhllmMIc\JJce`WbZYjZ``XJ`bhjj`hNJ@@ O=C(C(N(C(CN1CCN(C)CC1)=O)c1nc(-c2ccccc2)c[s]1)c(c(O)c1O)ccc1O)NC(C)(C)C dmUDHHfa@IJA[qUqrJJJVZjZZ@@ gJPHB@Q}T@@ deTL`@Ii@DfYnxXH``@@ dcn@PL@HH@rQQEQIYR{SL@D@@ die@`@y`CIHddZzjjh@@ 18.17 -4.6377645 0.66577107 -1.7844954 -7.9525185 1.377096 -2.839754 :Uvzv:rS:vyvzUjUQUQvzjEfU_oROvfzyEanju7iaiJ7fmLFdn93hEyJYYCdq1CfnVaF_@O0F1WF7X0V0FV !B?`BH@k\B?`BH__x@mwvw@oy?mwt 2FPF2081&24F8010N0m*2HV50V82#6!V02$141F!10W!10204048&4#10V (1/.91/$4$5!1//01!1$20A$2/+1/*2.2#1$12/%1&3%201%4,2%1/&2/#4//102/$3&101&1(2/)1,1/(A&2,3/)4$4$2&1/#1/)4+1!4$4,43!6#2*2!1/02/#10201,2$4//+1#111#3!43/-2/$1.1*2-2$s(1)2&1#1#11%7$1//6%2,3)1%1,4!1*1/%5,2#1/)1%1/012#1)15/,4*1! e`TZDH@JI@dgcH`@cIEDelhhieDieDeHWaQpHl}PHESUMUUUUQPZT@@ O=C(C(N(C(CN1CCN(C)CC1)=O)c(cc1)cc2c1[s]cn2)CC(C)C)NC(C)(C)C dmUDHHfa@IJA[qUqrJJJVZjZZ@@ gJPHB@Q}T@@ gJPHB@ITuP@ dev@PJ@Hd@RfUJxZA@h@@ die@`@y`CIHddZzjjh@@ 14.20 2.092535 2.6184862 2.101737 1.2863218 -1.0850894 -4.338549 :UvzvUyzKzxvTtzEzUnQfuhiEuUBoJO:tTEbHjsPrXglaXLbw9vd@h4RFdW18jWWbnV@Hp2GFF0XF0X0V0Fk !B?`BH@k\B?`BH?_x@m?vw@oy?mwt vJPl2184804F0F#N0W080V!F&HF05!8$41VV02808!40F!1#V102#4,10V 0101//#7/%4$6+1/(1$A$5$2/+1-1+21!1(112/#1/01)3%102/!1/(1,1,1*11!101&1%3%1#1(1%21.1(2$1$4$1,1$1$1,7#1!2,121/#1014!10401!2(3//&1$4)201!4!1.4!16*1#21.1!12#1#1*1#1$1$10511!4#1$1/-2-3!54/$1(1.1&1/+1*2#1z%501/01&11104#M(101#1/*2(1%2#1/01&6!1*1$3-105$1#3!2!1101!1/*1!3&1&2.6/03(104+10 eaSVDH@LBOLojYD`@cIEEheEELhhdhhlleEiLWaQT\m|}SBsSMSTDCAPDTAUEADGE@@ O=C(C(N(C(CN1CCN(C)CC1)=O)c1nc(-c2ccccc2)c[s]1)c1ccnc2ccccc12)NC(C)(C)C dmUDHHfa@IJA[qUqrJJJVZjZZ@@ gJPHB@Q}T@@ dmN@`@d@RfV]iaT@@H@@@ dcn@PL@HH@rQQEQIYR{SL@D@@ die@`@y`CIHddZzjjh@@ 10.31 -4.8644176 0.8253292 -1.9575715 -8.072172 1.4189893 -2.8979967 :UvzvzyzSzxvytvEzUnzfvhjUvzioJS:xTEbIjw@zahlybqzy9vx@_4zJfl1@jW_mqZ@Hp3MKN8eFVX0V0FV !B?`BH@k\B?`BH__x@mwvw@oy?mwt vJPl2184804F0F#N0W080V!F&HF05!8$41VV02808!40F!1#V102#4,10V #1//#702/#4$6+1/(1$H$7$2/+1/*2#1(102///2%102/!11/&1(1/01*1#1)2$33/B%1!21.1(2/1,1$11#1,7#1!2,121$1-1014$401!2/*1/$1!104.4-1#4!16.2/#12/#1)1!1010B01!4//(6(4$30156#1/1(1.1/.1.2$z%E01/01(1!4#U(1*2//%2#1/2$6!6!1*1&1+105$1&2#101!1//-2.5/*104- em_ZDH@LBOHnY@`@cIEEheEELhhdieEEdiDdl}lJJkonRQVYZYjZ`fhJ`@jh@`h``xh@@ O=C(C(N(C(CN1CCN(C)CC1)=O)c1nc(-c2ccccc2)c[s]1)C(c1ccccc1)c1ccccc1)NC(C)(C)C dmUDHHfa@IJA[qUqrJJJVZjZZ@@ gJPHB@Q}T@@ dg|@`N@LdbRbtJUB]aAP@@@@ dcn@PL@HH@rQQEQIYR{SL@D@@ die@`@y`CIHddZzjjh@@ 29.51 -4.0704966 0.74062073 -1.7464497 -8.168729 1.5204997 -2.5780094 :Uvzv;SzxvyvzUjUnzvvzjUfzboRSjjzqEbmjy3yajkUbqPJdnx3hCUJYlCfq1hnrZaH_AM5N9dFbX0V0FV !B?`BH@k\B?`BH__x@mwvw@oy?mwt 2FPF2081&24F8010N0m*2HV50V82#6!V02$141F!10W!10204048&4#10V (1+1/!712/#4$5+1/(1$B10207$2/+1/*2.2#1$11/%1-20101#4/#2/&2(1*4//202!3/0E)1/1/)1$1&1%1/07&2,3#1!1/04$4$2&1/#1/)4+1!4%1+43!6.2/$2/#10201,@$4//(4!1$51#30147/-2//$1*2&1%2$z%@01)2&1#1#12%Q$1-2//%3)1%1)7!4!1*1/%5&1$2#1/)1/)2#1)15/,4- ei[ZDH@JI@djSH`@cIEDelhhieEELhhdiDdd}lJNAKjTVR^ZA@jZijj@Jj@HJHHMJ@@ O=C(C(N(C(CN1CCN(C)CC1)=O)c(cc1)cc2c1[s]cn2)C(c1ccccc1)c1ccccc1)NC(C)(C)C dmUDHHfa@IJA[qUqrJJJVZjZZ@@ gJPHB@Q}T@@ dg|@`N@LdbRbtJUB]aAP@@@@ dev@PJ@Hd@RfUJxZA@h@@ die@`@y`CIHddZzjjh@@ 20.69 2.1758318 2.7253458 1.9334089 1.0845091 -1.0663595 -4.263695 ;vzvU:KzxvTtzUzUnvvuziEuUBoSQ:vTEbHjtQrXglbXLbw9zdAj4RNdd98jWWbnX@Pp2GJF1mFIX0X4GV !B?`BH@k\B?`BH__x@mwvw@oy?mwt vJPl2184804F0F#N0W080V!F&HF05!8$41VV02808!40F!1#V102#4,10V #1/,2%7/!1!4$6+1/(1$6$5$2(1/!1/*2#1(102///2%102/!1-12#1#1/*1*11!1)1!5!3/!11%212-2&22/1,1$1$1,@#1!2,121%1,2014!10401!3/&4/(1$42-4&1*6!16&1$202/1!12/#1)1$10401!4!2%1/-2(1$3!5@01/!1(1.1//.2$z%501/01(1204#E(1//(2(4#1!1/%6!1*1/#115$1&3#101!1/04+3.2#1#2%5/*104%2$10 enUZLL@EOHnbVGD`LPcDBBLbbbfJbbbbfRrdrebRRvxDjZaIqi`bBjfejjjhJBHX`dH@@ O=C(C(N(C(CN1CCN(C)CC1)=O)c1nc(-c2ccccc2)c[s]1)c(cc1O)cc(Br)c1Br)NC(C)(C)C dmUDHHfa@IJA[qUqrJJJVZjZZ@@ gJPHB@Q}T@@ deTHpFCDKDd@rJJJX|LDPP@@ dcn@PL@HH@rQQEQIYR{SL@D@@ die@`@y`CIHddZzjjh@@ 19.85 -4.7564244 0.8646445 -1.8788266 -7.976881 1.378313 -2.8295212 ;vzvU:KzxvTtzUzUnvvuziEuUBrJQ:vTEbHjtPreglbXLbx9vd@jZRFdd38jWWbvX@Hr2GRG0XF2rFX0GV !B?`BH@k\B?`BH?_x@m?vw@oy?mwt vJPl2184804F0F#N0W080V!F&HF05!8$41VV02808!40F!1#V102#4,10V #1//#7/!2!4$6+1/(1$6$5$2/+1.1*2!31(102.1.3/2%102/!1.4(1(1/0102&111!1)1%3&1(1!1%21.1(2/1,1$1$1,9#1!2,121/#1014!10401!4/&2/(12#4.5/!4!16,102,1!1!12#1.1)2$10601!4)1%2*2$1%2-3!58/$1(1$31(1//.2$z%501%2*1(1!4#G(1///03#1/)6!1*1/#115$1&2#101!1&2/#103.2.5/*104+10 efYZBH@LBOLbYDa`P@`haHSHQHRDcDaHQDaHSDqLQHcAphjNV~^IifijBA`jBJJjhJCb`@ O=C(C(N(C(CN1CCN(C)CC1)=O)c1nc(-c2ccccc2)c[s]1)c(cc(cc1)O)c1O)NC(C)(C)C dmUDHHfa@IJA[qUqrJJJVZjZZ@@ gJPHB@Q}T@@ didD`@F`CHhhdVz@``@@ dcn@PL@HH@rQQEQIYR{SL@D@@ die@`@y`CIHddZzjjh@@ 20.37 -4.755013 0.7880192 -1.979582 -7.9604425 1.3480592 -2.787202 :UvzvzizS:vyttEzUvUfvhjAvUcoJOzvxTEbGjsDjag_afqqs9ud8_6yJeY18jW_emV@Fp2OFF0X!X0V0FV !B?`BH@k\B?`BH__x@mwvw@oy?mwt vJPl2184804F0F#N0W080V!F&HF05!8$41VV02808!40F!1#V102#4,10V #1//#9/%4$6/&1,1$6$A$2/+1/*2#1(102*1/-3%2%102/!1/(1/*1*1#1)1%3/*21.1(2/1$1&1#11$1,A#1!2,12101/01014$401!2///1$4.4$4$1&4!16#2*2/#12/#1)1$10401!4//(2&1%3!52/$1(1.1//!1#1&2$w%501/01(1!4#A(1/,6%2,2#1/)6!1*102/0105$1&2#101!1/*1/012.5)1/104- edRZDH@LBOH`Y@`@cIEEheEELhdeLhleIWaPTl\CSMSTDtEUEUUEAqP@@ O=C(C(N(C(CN1CCN(C)CC1)=O)c1nc(-c2ccccc2)c[s]1)CC(C)C)NC(C)(C)C dmUDHHfa@IJA[qUqrJJJVZjZZ@@ gJPHB@Q}T@@ gJPHB@ITuP@ dcn@PL@HH@rQQEQIYR{SL@D@@ die@`@y`CIHddZzjjh@@ 24.73 -4.3417726 0.8100505 -1.7992322 -8.146948 1.5781584 -2.7911263 ;vzvU:KzxvTtvEzUnvfuziEuUBoJQ:tTEbHjtPrXglbXLbw9vd@h4RFdd18jWWbnX@Hp2GJF0XF2X0X0GV !B?`BH@k\B?`BH?_x@m?vw@oy?mwt vJPl2184804F0F#N0W080V!F&HF05!8$41VV02808!40F!1#V102#4,10V #1//#7/!1!4$6+1/(1$8$5$2(101/1/*2#1#1#102/.2%3)2%102/!1.2(1/*102(11!1)1%3/1011%21.1(2/1,1$1$1,8#1!2,121%1,1014!10401!3///11#4.4/!4!16.2/1!12/#1)1$10701!4)1.1-2(1$3!5601/!1(1.1//.2$z%601%4*1(1!4#I(1///03#1/)6!1*1.3#115$1&3#101!1/+203*1#21-501/(104+10 ejQZLH@LBOLlYDg`@`haHSHQHRDcDaHQDaDqLQHrHp\JJmioklZYjZ``XJBJbjhJCb`@ O=C(C(N(C(CN1CCN(C)CC1)=O)c1nc(-c2ccccc2)c[s]1)c1cccc(O)c1)NC(C)(C)C dmUDHHfa@IJA[qUqrJJJVZjZZ@@ gJPHB@Q}T@@ daDH`@x@RYVih@H@@ dcn@PL@HH@rQQEQIYR{SL@D@@ die@`@y`CIHddZzjjh@@ 34.39 -4.6060143 0.6834402 -2.1167943 -7.9763517 1.3771065 -2.8330243 :UvzvzizS:vyttEzUvUfzhzQ:eoJSzvxTErGjw@jah_ibqqs9ut8_6zJen18jW_emV@Fx2KGF0X0VX0V0FV !B?`BH@k\B?`BH__x@mwvw@oy?mwt vJPl2184804F0F#N0W080V!F&HF05!8$41VV02808!40F!1#V102#4,10V #1//#G/%4$6+1/(1#16$7$201/)1/*2#1(102///2%102/!1-1)1(1!1-1*1#1)1$33/&1!21.1(2*6$1,1$1$1,7#1!2,121$1-1014$401!2///1$7*10404-1#4!16.2/1!12/#1(11$10401!4//(2-3!52/$1(1.1,1/-2!2$z%501/01(1!4#A(1///07#1/2(6!1*1/#105$1&2#101!1//#1)2.5/*10@- eb^ZDH@LBOHdY@`@cIEEheEELhhdidediD_aQUlmC\cSMSTDuAUQUUTUAqP@@ O=C(C(N(C(CN1CCN(C)CC1)=O)c1nc(-c2ccccc2)c[s]1)C1CCCCC1)NC(C)(C)C dmUDHHfa@IJA[qUqrJJJVZjZZ@@ gJPHB@Q}T@@ gOpHL@IToWUU@@ dcn@PL@HH@rQQEQIYR{SL@D@@ die@`@y`CIHddZzjjh@@ 31.37 -4.202896 0.80594206 -1.6818082 -8.284179 1.6100574 -2.6976283 :UvzvUyzKzxvTtzUzUnvfujiEuUBoKO:vTEbHjtPrXglaXLbw9vd@h4RNdW18jWWbnV@Hp2GJF0XF0X0V0FV !B?`BH@k\B?`BH?_x@m?vw@oy?mwt vJPl2184804F0F#N0W080V!F&HF05!8$41VV02808!40F!1#V102#4,10V #1/*2(7*1*4$6+1/(1$@$5$2(1/!1/*2#1(102///2%102/!1/(1/*1*12!1)1%3/!11%21.1(2*6$1,1$1$1,7#1!2,121%1,1014!10401!2(4/)2,1$4)3$4/!4!16.2/1!12/#1)2$10601!4)1/-2(1$3!5401#4-1(1.1/&3,1)2$z%501/01(1!4#O(103/%1/1&2#1(1/6021*1$5$1!1$105$1&3!4101!1/-3.2.5/*104+10 eaSZDH@LBOLlYD`@cIEEheEELhhdheediiMeUaQUmL}]cSsSMSTDCAPQPUPQADGE@@ O=C(C(N(C(CN1CCN(C)CC1)=O)c1nc(-c2ccccc2)c[s]1)c1cc2ccccc2cc1)NC(C)(C)C dmUDHHfa@IJA[qUqrJJJVZjZZ@@ gJPHB@Q}T@@ dmL@`E@DjYUVGi@@@`@@ dcn@PL@HH@rQQEQIYR{SL@D@@ die@`@y`CIHddZzjjh@@ 20.03 -4.7946105 0.9061336 -2.0244207 -7.9757285 1.3719211 -2.8214965 :UvzvU:KzxvTvzUzUnvNuziEeU5oSOjjvqEaXjvIqXik7XH3Jdn93hCRNWWCWq1dbnVaH_@G4F1WF7X0V0FV !B?`BH@k\B?`BH?_x@m?vw@oy?mwt 2FPF2081&24F8010N0m*2HV50V82#6!V02$141F!10W!10204048&4#10V (1/%2(71&101*4$5+1/(1$4!205$2/+1/&1!2.2!11$11/%1$1(201%4/#1/&2/#4/!1,102/!103!1%1/1/#6$1,1/(7&2,3(1/4$4$2&14+1%1%2/!4)301!4/!43!6.2/!102/#10201$1&4$4)1//01$21#3!45%4/&2//$103(2#1)2$z(1)2&1#1#11%K$1$3!1/!1/1&3)1%1,4021*1$5$1*5)1!2!41/)1)3.2#1)15/1+4- efUZDH@JI@bhSL`@cIEDelhhieEEDldiiEeUaQpHL]mCcSPHESU@uATETDPQAiP@@ O=C(C(N(C(CN1CCN(C)CC1)=O)c(cc1)cc2c1[s]cn2)c1cc2ccccc2cc1)NC(C)(C)C dmUDHHfa@IJA[qUqrJJJVZjZZ@@ gJPHB@Q}T@@ dmL@`E@DjYUVGi@@@`@@ dev@PJ@Hd@RfUJxZA@h@@ die@`@y`CIHddZzjjh@@ 77.69 2.468913 2.8363824 2.3596318 1.2022954 -1.1874905 -4.573336 ;vzvU:KzxvTtzUzUnvvuziEuUBoSQ:vTEbHjtQrXglbXLbw9zdAj4RNdd98jWWbnX@Hp2lJF1mFIX0X0GV !B?`BH@k\B?`BH?_x@m?vw@oy?mwt vJPl2184804F0F#N0W080V!F&HF05!8$41VV02808!40F!1#V102#4,10V #1//#7/!2!4$6+1/(1$6$5$2(1/!1/*2#1(102///2%102/!1.4(1/*1(4011!1)1%3/!11%21.1&22/1,1$1$1,9#1!2,121#101,1014!10401!4/&4/(110204.4/!4!16,302/1!12/#1)1$20701!4)1%4/&2(1$3!5801/!1(1.3//.2$z%501/01(1!4#G$1!1///03#1/)6!1*1.1#115$1&4#101!1#1/)3*1#2.501/(104+10 efYZBH@LBOLlYDgbP@cIEEheEELhhdheediiL[aQUmM}]cSMSTDCAPQTUUPTGE@@ O=C(C(N(C(CN1CCN(C)CC1)=O)c1nc(-c2ccccc2)c[s]1)c(cc1)cc(O)c1O)NC(C)(C)C dmUDHHfa@IJA[qUqrJJJVZjZZ@@ gJPHB@Q}T@@ didD`@HPAIf][hHB@@ dcn@PL@HH@rQQEQIYR{SL@D@@ die@`@y`CIHddZzjjh@@ 16.72 -4.616546 0.7341763 -1.974581 -7.971221 1.3811992 -2.8312268 ;vzvU:KzxvTtvUzUnvfuhiEuUBoSQ:tTEbHjsQrXglaXLbw9zd@h4RNdW18jWWbnV@Hp2lJF1mFGX0X0GV !B?`BH@k\B?`BH?_x@m?vw@oy?mwt vJPl2184804F0F#N0W080V!F&HF05!8$41VV02808!40F!1#V102#4,10V #1//#7/!1!4$6+1/(1$61#5$2(1/!1/*2#1(102/!1+2/2%102/!1.2(2/*102(11!1)1%3/!11%21.1(2/1,1$1$1,8#1!2,121%1*201014!10401!3///12#4.4/!4!16,302/1!12/#1)1$10@01!4)1.1-2(1$3!5601/!1(1.1//.2$z#10701/01(1!4#I$4!1///02#1/)6!1*1/#105$1&5020101!1/-3.2.5/*104+10 ejQZLH@LBOLdYDlP@cIEEheEELhhdheedmIm\JJmigkdZYjZ``XJBJJjhJCb`@ O=C(C(N(C(CN1CCN(C)CC1)=O)c1nc(-c2ccccc2)c[s]1)c(cc1)ccc1O)NC(C)(C)C dmUDHHfa@IJA[qUqrJJJVZjZZ@@ gJPHB@Q}T@@ daDH`@x@RYWih@H@@ dcn@PL@HH@rQQEQIYR{SL@D@@ die@`@y`CIHddZzjjh@@ 65.92 -4.702874 0.69294304 -1.7799295 -7.965059 1.3545477 -2.8272011 :UvzvU:KzxvTvvUzUnvfuhiEuUBoSO:tTEbmjuQrXglaXLbw9zd@h4RNdW58zWWbnVeHp2GJF1nFGX0V0FV !B?`BH@k\B?`BH?_x@m?vw@oy?mwt vJPl2184804F0F#N0W080V!F&HF05!8$41VV02808!40F!1#V102#4,10V 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2.6354172 ;vzvU:KzxvTtzUzUmvNuUiEeU4oSQzjfLEa0btIqXck7XH5J9r93f4BNVV90a1VblX2HW2lJF1kFHX0X4G0 !B?`BH@k\B?`BH__x@mwvw@oy?mwt vb78v978LKt1P80G020F10c#2$80c8$1#2.4F0V%2.X!1! $1//!B,1!201!402!5+1/(1*8#12//!1/#2/.1//2(4/+1%2(11/#1/.2+2-1%101-2&2(1(1,1)1-@&2/%1+1#4$7$3(1-4/)1#4.4/!A#6&1$304/$2/#2#2#1(3$8)1%4//1$6!461/+1/2/+1*1&2$y(1/01(1&8$1/,1/&5)1/#4-2)1$1%A,5#2/&2!1(3.4#1#201#6/,@- ebVVLH@IGLb`XRKO@LSHhhlmEEEEleHhiTdmdqq\C}CA@UTsUUUUUUQT@a@@ O=C(C(N(C(CN1CCN(C)CC1)=O)CCN1CCN(C)CC1)c(cc1)cc(Br)c1O)NC(C)(C)C dmUDHHfa@IJA[qUqrJJJVZjZZ@@ gJPHB@Q}T@@ didHPBCDD@RYgVzB@`@@ deU@`@xPAJeWZzjjj@@ die@`@y`CIHddZzjjh@@ 19.69 2.2053986 2.382591 0.2539064 -0.005757568 1.8938818 2.8340242 ;vzvU:KzxvyvzUzUnztuziEjU7oSQjjvLEa0jtIqXdtzmq1qdrhEzBBNVV94aWVbpX6HWfpKP1kFHX1Y4l0 !B?`BH@k\B?`BH__x@mwvw@oy?mwt qFPF01818!F!2!F01080m+F$81$8V$V-V#24!c)111V0 //(8!1.1!402!5/*3.2$5$403/+1%1/02)2/%1031*1-102(2/(1)2(1#3&103%1/#1*1%3$2+2#1#101-1&2/01,1$1#1-@&3(3,1/401!3$51/%4/)1#4.4#1-5#6,302/#1%2-1/06$4)1!1!4!1/03*1$3!49-1/.2!1//+2$z(1$11*1(11%E$1//2)1)4%1/1%5)1#1.2#1073+3#2/$302)203,1020201#2%5/+14- efQZJD@IGNlRRKO@d`LSPHrJJKKQQQRJXsJQIRsKHl\G_HdpPEULltETEEUPT@a@@ O=C(C(N(C(CN1CCN(C)CC1)=O)S(c1cc(CN)ccc1)(=O)=O)c(cc1)cc(Br)c1O)NC(C)(C)C dmUDHHfa@IJA[qUqrJJJVZjZZ@@ gJPHB@Q}T@@ didHPBCDD@RYgVzB@`@@ dcNDPMa@BB@LddLrTHrm@AP@@ die@`@y`CIHddZzjjh@@ 18.85 2.4693277 8.836809 -3.6509008 8.499409 -9.141502 1.3950075 ;vzvU:KzxvTvzUzUmvNuUiEeUCrSQjzfqEaXbtQqfck7XH3J9r93jBBsWdElb1VbtX2Pp2G4G1lFHY0XBG0 !B?`BH@k\B?`BH__x@mwvw@oy?mwt kHNF0F018!k#40N#N#40F02&1$808%2,2$48/09! //02%6/!2!4$5+1/(1!204$8$2///#1!2/*1/*1)2(4*1/%12#1#1///$1!5#1/!101!1102-2&2/01,1/(B&2/%1,1!4$4$3/$104#1/)42-9&1*6#6,202&1,2/#10101,3$4!2%1/04(2%1$11#3!4A,3///!1/,2$z%301/01(15%C/%1/*2(41/$3&4-1/033015,2010101/$4+3.2#10202%4/1&1#4%2& 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