0 B18R2.4060 Nc1[n]c(N)[n]cc1CCCc2ccccc2 Amb22483450 [0,0,0,0,0,0|3,0,0]=3 1 B18R2.4060 Nc1cc(I)c(cc1)NCCc2ccccc2 Amb24017821 [0,0,0,0,0,0|4,0,0]=4 2 B18R2.4060 Nc1cc(N)c(cc1)NCCc2ccccc2 Amb19962363 [0,0,0,0,0,0|4,0,0]=4 3 B18R2.4060 O=C1NC(=O)NC=C1NCCc2ccccc2 Amb19763614 [0,0,0,0,0,0|0,0,4]=4 4 B18R2.4060 OC1=NC(=O)NC=C1NCCc2ccccc2 Amb19916251 [0,0,0,0,0,0|0,0,2]=2 5 B17R2.216 Cc1ccc(c[n]1)SCCc2ccccc2 Amb24084799 [1,0,0,0,0,0|3,0,0]=4 6 B17R2.216 Cc1ccc(nn1)NCCc2ccccc2 Amb16242186 [1,0,0,0,0,0|3,0,0]=4 7 B17R2.216 Nc1[n]cc(CNCc2ccccc2)c[n]1 Amb23567602 [1,0,0,0,0,0|3,0,0]=4 8 B17R2.216 Nc1ccc(cc1)NCCc2ccccc2 Amb1103721 [1,0,0,0,0,0|3,0,0]=4 9 B17R2.216 Oc1ccc(cc1)NCCc2ccccc2 Amb19374629 [1,0,0,0,0,0|2,0,0]=3 10 B17R2.3956 Nc1cc[n]cc1NCCc2ccccc2 Amb24094586 [1,0,0,0,0,0|2,0,0]=3 11 B17R2.3956 Nc1ccccc1NCCc2ccccc2 Amb12720 [1,0,0,0,0,0|3,0,0]=4 12 B19R2.3525 ClCc1ncc(c(c1)O)OCCc2ccccc2 Amb17218037 [0,1,0,0,0,0|3,0,0]=4 13 B19R2.3525 NCc1ncc(c(c1)O)OCCc2ccccc2 Amb17218163 [0,1,0,0,0,0|3,0,0]=4 14 B19R2.3525 OCc1ncc(c(c1)O)OCCc2ccccc2 Amb17218110 [0,1,0,0,0,0|2,0,0]=3 15 B19R2.4537 Oc1[n]c(O)[n]cc1NNC(=O)c2ccccc2 Amb22049317 [0,1,0,0,0,0|1,0,1]=3 16 B19R2.7732 Cc1ccc(NC(C)Cc2ccccc2)c(C)[n]1 Amb24044143 [0,1,0,0,0,0|3,0,0]=4 17 B19R2.12298 Oc1[n][n]c(N\N=C\c2ccc(Br)cc2)c(O)[n]1 Amb22358144 [0,1,0,0,0,0|2,0,1]=4 18 B19R2.60515 Cc1[n]c(N)[n]c(N)c1CCCc2ccccc2 Amb22477347 [0,1,0,0,0,0|3,0,0]=4 19 B19R3.17452 Oc1[n]c2c(c[n][n]2-c3ccccc3)c(O)[n]1 Amb20413841 [0,0,0,1,0,0|3,0,0]=4 20 B17R2.5360 Cc1[n]c(Cl)ccc1NCc2ccccc2 Amb25168515 [0,0,0,0,1,0|3,0,0]=4 21 B17R2.5360 Cc1[n]cc(OCc2ccccc2)c(C)[n]1 Amb23412472 [0,0,0,0,1,0|3,0,0]=4 22 B17R2.5360 Cc1[n]cc(OCc2ccccc2)c(Cl)[n]1 Amb23598459 [0,0,0,0,1,0|3,0,0]=4 23 B17R2.5360 Cc1[n]cc(OCc2ccccc2)c(N)[n]1 Amb23598460 [0,0,0,0,1,0|3,0,0]=4 24 B17R2.5360 Cc1cc(O)ccc1NCc2ccccc2 Amb25081743 [0,0,0,0,1,0|3,0,0]=4 25 B17R2.5360 Cc1ccc(NCc2ccccc2)c(C)[n]1 Amb25363710 [0,0,0,0,1,0|3,0,0]=4 26 B17R2.5360 Clc1[n]cc(OCc2ccccc2)c(Cl)[n]1 Amb21856135 [0,0,0,0,1,0|3,0,0]=4 27 B17R2.5360 Nc1[n]c(Cl)[n]cc1OCc2ccccc2 Amb25301540 [0,0,0,0,1,0|3,0,0]=4 28 B17R2.5360 Nc1[n]c(Cl)ccc1NCc2ccccc2 Amb25225671 [0,0,0,0,1,0|3,0,0]=4 29 B17R2.5360 Nc1[n]c(N)[n]cc1CCc2ccccc2 Amb22483449 [0,0,0,0,1,0|2,0,0]=3 30 B17R2.5360 Nc1[n]cc(OCc2ccccc2)c(Cl)[n]1 Amb25057696 [0,0,0,0,1,0|3,0,0]=4 31 B17R2.5360 Oc1ncc(c(n1)O)NCc2ccccc2 Amb15742926 [0,0,0,0,1,0|0,0,0]=1 32 B19R2.4547 Cc1[n]c(N)[n]cc1CCCNc2ccccc2 Amb24094611 [0,0,0,0,0,1|3,0,0]=4 33 B19R2.4547 Nc1[n]c(N)[n]cc1CCCCc2ccccc2 Amb22483452 [0,0,0,0,0,1|3,0,0]=4 34 B19R2.4547 Oc1cc(O)c(CNCCc2cc[n]cc2)cc1 Amb23919980 [0,0,0,0,0,1|3,0,0]=4 35 B16R2.2256 C(CNc1ccccc1)c2ccccc2 Amb21953769 [2,0,0,0,0,0|2,0,0]=4 36 B16R2.2256 C(NCc1c[n]c[n]c1)c2ccccc2 Amb18314258 [2,0,0,0,0,0|2,0,0]=4 37 B16R2.2256 c1ccc(cc1)CCNc2cnccn2 Amb2446269 [2,0,0,0,0,0|2,0,0]=4 38 B18R2.61 N#Cc1ccc(c[n]1)NCCc2ccccc2 Amb23705649 [1,1,0,0,0,0|2,0,0]=4 39 B18R2.269 Cc1cc(CCNc2c[n]c(N)cc2)ccc1 Amb23947432 [1,1,0,0,0,0|2,0,0]=4 40 B18R2.274 Oc1ccc(cc1)CCNc2ccc(nc2)N Amb17041333 [1,1,0,0,0,0|2,0,0]=4 41 B18R2.9252 Fc1ccc(cc1)\C=N\c2cnc(nc2O)O Amb1814645 [0,1,0,0,1,0|0,0,2]=4 42 B18R2.9252 Nc1[n]c(N)[n]cc1CCc2ccc(Cl)cc2 Amb22477730 [0,1,0,0,1,0|2,0,0]=4 43 B18R2.33281 Oc1ncc(c(n1)O)\N=C\c2ccccc2F Amb2449944 [0,1,0,0,1,0|0,0,2]=4 44 B18R2.38168 Cc1[n]c(N)[n]c(N)c1CCc2ccccc2 Amb22442385 [0,1,0,0,1,0|2,0,0]=4 45 B18R2.38168 Cc1[n]c(N)[n]c(O)c1CCc2ccccc2 Amb24115963 [0,1,0,0,1,0|1,0,0]=3 46 B18R2.38168 Cc1[n]c(O)[n]c(O)c1OCc2ccccc2 Amb24434484 [0,1,0,0,1,0|1,0,0]=3 47 B18R2.38168 Cc1[n]c(S)[n]c(O)c1CCc2ccccc2 Amb24115900 [0,1,0,0,1,0|0,1,0]=3 48 B18R2.38168 Nc1[n]c(N)c(NCc2ccccc2)c(N)[n]1 Amb18660770 [0,1,0,0,1,0|2,0,0]=4 49 B20R2.155984 O=C(NCCc1ccccc1)c2c[n]c(Cl)[n]c2Cl Amb22749446 [0,1,0,0,0,1|2,0,0]=4 50 B18R2.32423 Oc1[n]cc(C(O)=O)[n]1CCc2ccccc2 Amb18869310 [0,0,1,1,0,0|1,0,0]=3 51 B18R3.108725 Brc1[n]c2-c3ccccc3CCc2c(Br)[n]1 Amb23412050 [0,0,0,1,1,0|2,0,0]=4 52 B18R3.108725 Clc1[n]c2-c3ccccc3CCc2c(Cl)[n]1 Amb23401188 [0,0,0,1,1,0|2,0,0]=4 53 B18R3.108725 Nc1[n]c(Cl)[n]c2-c3ccccc3CCc21 Amb23412061 [0,0,0,1,1,0|2,0,0]=4 54 B18R3.108725 Nc1[n]c(Cl)c2CCc3ccccc3-c2[n]1 Amb23412060 [0,0,0,1,1,0|2,0,0]=4 55 B16R2.132 Brc1[n]cc(c[n]1)OCc2ccccc2 Amb24393441 [1,0,0,0,1,0|2,0,0]=4 56 B16R2.132 Brc1ccc(c[n]1)NCc2ccccc2 Amb24444472 [1,0,0,0,1,0|2,0,0]=4 57 B16R2.132 Cc1[n]cc(c[n]1)OCc2ccccc2 Amb23412495 [1,0,0,0,1,0|2,0,0]=4 58 B16R2.132 Cc1ccc(c[n]1)NCc2ccccc2 Amb25089853 [1,0,0,0,1,0|2,0,0]=4 59 B16R2.132 Clc1ccc(c[n]1)NCc2ccccc2 Amb25831247 [1,0,0,0,1,0|2,0,0]=4 60 B16R2.132 Clc1ncc(cn1)OCc2ccccc2 Amb10602060 [1,0,0,0,1,0|2,0,0]=4 61 B16R2.132 Fc1ccc(c[n]1)NCc2ccccc2 Amb25193758 [1,0,0,0,1,0|2,0,0]=4 62 B16R2.132 Nc1[n]cc(c[n]1)OCc2ccccc2 Amb21964868 [1,0,0,0,1,0|2,0,0]=4 63 B16R2.132 Oc1ccc(CCc2ccccc2)cc1 Amb24066192 [1,0,0,0,1,0|2,0,0]=4 64 B16R2.132 Oc1ccc(NCc2ccccc2)[n][n]1 Amb21984448 [1,0,0,0,1,0|2,0,0]=4 65 B16R2.132 Oc1ccc(cc1)NCc2ccccc2 Amb24096852 [1,0,0,0,1,0|2,0,0]=4 66 B16R2.71 Brc1[n]cccc1NCc2ccccc2 Amb24358785 [1,0,0,0,1,0|2,0,0]=4 67 B16R2.71 Cc1cc[n]cc1NCc2ccccc2 Amb25170961 [1,0,0,0,1,0|2,0,0]=4 68 B16R2.71 Clc1[n]c[n]cc1OCc2ccccc2 Amb22234502 [1,0,0,0,1,0|2,0,0]=4 69 B16R2.71 Clc1cc[n]cc1NCc2ccccc2 Amb24079790 [1,0,0,0,1,0|2,0,0]=4 70 B16R2.71 Nc1[n]c[n]cc1OCc2ccccc2 Amb18653569 [1,0,0,0,1,0|2,0,0]=4 71 B16R2.71 Nc1cc[n]cc1NCc2ccccc2 Amb17933223 [1,0,0,0,1,0|2,0,0]=4 72 B16R2.71 Nc1ncccc1NCc2ccccc2 Amb15701551 [1,0,0,0,1,0|2,0,0]=4 73 B16R2.71 Oc1[n]c[n]cc1OCc2ccccc2 Amb18653830 [1,0,0,0,1,0|1,0,0]=3 74 B16R2.71 Oc1ccccc1CCc2ccccc2 Amb17843033 [1,0,0,0,1,0|2,0,0]=4 75 B16R2.71 Oc1ccccc1NCc2ccccc2 Amb1076536 [1,0,0,0,1,0|2,0,0]=4 76 B16R2.71 Pc1[n]cccc1NCc2ccccc2 Amb25082768 [1,0,0,0,1,0|2,0,0]=4 77 B16R2.312 Clc1[n]c(Cl)[n]cc1Nc2ccccc2 Amb24103918 [0,0,0,0,2,0|2,0,0]=4 78 B16R2.312 Nc1[n]c(O)c(Cc2ccccc2)c[n]1 Amb19928887 [0,0,0,0,2,0|1,0,0]=3 79 B16R2.312 Nc1ncc(c(n1)N)Cc2ccccc2 Amb17089705 [0,0,0,0,2,0|2,0,0]=4 80 B16R2.312 OC=1NC(=O)C(=CN1)Nc2ccccc2 Amb19866715 [0,0,0,0,2,0|0,0,2]=4 81 B16R2.312 Oc1cc(O)[n]cc1Cc2ccccc2 Amb23570645 [0,0,0,0,2,0|1,0,0]=3 82 B16R2.312 Oc1cc(O)c(Cc2ccccc2)cc1 Amb22229659 [0,0,0,0,2,0|2,0,0]=4 83 B16R2.312 Oc1ncc(c(n1)N)Cc2ccccn2 Amb17089770 [0,0,0,0,2,0|2,0,0]=4 84 B16R2.312 Oc1ncc(c(n1)N)Cc2ccncc2 Amb17089772 [0,0,0,0,2,0|2,0,0]=4 85 B16R2.312 Sc1ncc(c(n1)N)Cc2ccccc2 Amb17089737 [0,0,0,0,2,0|1,1,0]=4 86 B16R2.312 Sc1nnc(c(n1)O)Cc2ccccc2 Amb1971420 [0,0,0,0,2,0|1,1,0]=4 87 B18R2.270 Nc1[n]cc(CNCCc2ccccc2)c[n]1 Amb19920112 [1,0,0,0,0,1|1,0,0]=3 88 B18R2.3984 Cc1[n]c[n]cc1CNOCc2ccccc2 Amb25829981 [1,0,0,0,0,1|2,0,0]=4 89 B18R2.3984 Oc1ccccc1CNCCc2ccccc2 Amb24080734 [1,0,0,0,0,1|2,0,0]=4 90 B18R2.3665 Cc1[n]c(Cl)cc(NCCc2ccccc2)[n]1 Amb23617495 [0,0,0,0,1,1|2,0,0]=4 91 B18R2.3665 Cc1cc(NCCc2ccccc2)[n]c(N)[n]1 Amb23913401 [0,0,0,0,1,1|2,0,0]=4 92 B18R2.3665 Clc1cc(NCCc2ccccc2)nc(n1)N Amb2435077 [0,0,0,0,1,1|2,0,0]=4