0 B17R2.193 Brc1ccc(cc1C)NCc2ccccn2 Amb1897872 [0,0,0,0,0,0|4,0,0]=4 1 B17R2.193 Cc1cc(ccc1C)SCc2cccc[n]2 Amb20845870 [0,0,0,0,0,0|3,0,0]=3 2 B17R2.193 Cc1ccc(cc1Br)NCc2ccccn2 Amb17169497 [0,0,0,0,0,0|4,0,0]=4 3 B17R2.193 Cc1ccc(cc1O)OCc2ccccc2 Amb23568466 [0,0,0,0,0,0|3,1,0]=4 4 B17R2.193 Fc1cc(ccc1F)SCc2cccc[n]2 Amb21189507 [0,0,0,0,0,0|3,0,0]=3 5 B17R2.193 Nc1ccc(cc1C)OCc2ccccn2 Amb1115896 [0,0,0,0,0,0|3,1,0]=4 6 B17R2.193 Nc1ccc(cc1O)OCc2ccccc2 Amb25131155 [0,0,0,0,0,0|3,1,0]=4 7 B17R2.193 Oc1cc(ccc1F)OCc2ccccc2 Amb24548672 [0,0,0,0,0,0|3,1,0]=4 8 B16R2.132 Brc1ccc(cc1)NCc2ccccn2 Amb1897865 [1,0,0,0,0,0|3,0,0]=4 9 B16R2.132 Brc1ccc(cc1)SCc2cccc[n]2 Amb20920761 [1,0,0,0,0,0|2,0,0]=3 10 B16R2.132 Clc1ccc(c[n]1)SCc2ccccc2 Amb19944637 [1,0,0,0,0,0|2,0,1]=4 11 B16R2.132 Fc1ccc(cc1)OCc2cccc[n]2 Amb22454031 [1,0,0,0,0,0|2,1,0]=4 12 B16R2.132 Ic1ccc(cc1)OCc2cccc[n]2 Amb20627464 [1,0,0,0,0,0|2,1,0]=4 13 B16R2.132 Nc1ccc(cc1)CCc2ccccn2 Amb1102660 [1,0,0,0,0,0|3,0,0]=4 14 B16R2.132 Nc1ccc(cc1)CCc2ccccn2 Amb17622183 [1,0,0,0,0,0|3,0,0]=4 15 B16R2.132 Nc1ccc(cc1)OCc2cccc[n]2 Amb22279532 [1,0,0,0,0,0|2,1,0]=4 16 B16R2.132 Nc1ccc(cc1)OCc2ccccn2 Amb1099016 [1,0,0,0,0,0|2,1,0]=4 17 B16R2.132 O=C1C=CC(=CN1)OCc2ccccc2 Amb24392231 [1,0,0,0,0,0|1,1,0]=3 18 B16R2.132 O=C1C=CC(=NN1)OCc2ccccc2 Amb20299490 [1,0,0,0,0,0|2,1,0]=4 19 B16R2.132 O=C1NC=C(C=N1)OCc2ccccc2 Amb25216159 [1,0,0,0,0,0|2,1,0]=4 20 B16R2.132 Oc1ccc(cc1)SCc2ccccc2 Amb22353244 [1,0,0,0,0,0|2,0,1]=4 21 B16R2.252 Brc1cc(c[n]c1)OCc2cccc[n]2 Amb25141398 [1,0,0,0,0,0|1,1,1]=4 22 B16R2.252 Clc1cc([n]cc1)SCc2cccc[n]2 Amb22236278 [1,0,0,0,0,0|3,0,0]=4 23 B16R2.252 Nc1cc(CCc2cccc[n]2)ccc1 Amb22467800 [1,0,0,0,0,0|3,0,0]=4 24 B16R2.252 Nc1cccc(CCc2ccccn2)c1 Amb17762893 [1,0,0,0,0,0|3,0,0]=4 25 B16R2.252 Nc1cccc(c1)OCc2ccccn2 Amb1119053 [1,0,0,0,0,0|2,1,0]=4 26 B16R2.252 Oc1cc(CCc2cccc[n]2)ccc1 Amb24094045 [1,0,0,0,0,0|2,0,0]=3 27 B16R2.252 Oc1cccc(c1)CNc2ccccn2 Amb17100057 [1,0,0,0,0,0|3,0,0]=4 28 B18R2.2686 COc1cc(ccc1Br)NCc2cccc[n]2 Amb22144049 [0,1,0,0,0,0|3,0,0]=4 29 B18R2.6533 NC1=CN(CCc2cccc[n]2)C(=O)NC1=O Amb23973444 [0,1,0,0,0,0|3,0,0]=4 30 B16R2.124 Nc1ccc(cc1O)Sc2ccccc2 Amb18132595 [0,0,0,0,1,0|3,0,0]=4 31 B16R2.124 Oc1cc(Cc2cccc[n]2)ccc1O Amb24060565 [0,0,0,0,1,0|1,0,1]=3 32 B16R2.124 Oc1ccc(Cc2ccccc2)cc1O Amb24060583 [0,0,0,0,1,0|2,0,1]=4 33 B18R2.8976 Clc1ccc(cc1Cl)SCCc2ccccn2 Amb10818833 [0,0,0,0,0,1|3,0,0]=4 34 B15R2.2195 C(Nc1ccccc1)c2cccc[n]2 Amb19429071 [2,0,0,0,0,0|2,0,0]=4 35 B15R2.2195 C(Oc1ccccc1)c2cccc[n]2 Amb24445950 [2,0,0,0,0,0|1,1,0]=4 36 B15R2.2195 C(Sc1cc[n]cc1)c2cccc[n]2 Amb25184010 [2,0,0,0,0,0|2,0,0]=4 37 B17R2.48 COc1ccc(cc1)SCc2cccc[n]2 Amb21638929 [1,1,0,0,0,0|1,0,1]=4 38 B17R2.48 O=Cc1ccc(cc1)OCc2cccc[n]2 Amb22641888 [1,1,0,0,0,0|1,1,0]=4 39 B17R2.48 O=Cc1ccc(cc1)SCc2ccccc2 Amb20668530 [1,1,0,0,0,0|2,0,0]=4 40 B17R2.5360 O=C1NC=C(SCc2ccccc2)C(=O)N1 Amb22442918 [1,1,0,0,0,0|2,0,0]=4 41 B17R2.1819 COc1cc(ccc1)SCc2cccc[n]2 Amb20921482 [1,1,0,0,0,0|1,0,0]=3 42 B17R2.219 CC1=CC(=CNC1=O)C(N)c2ccccc2 Amb23446845 [0,1,0,0,1,0|2,0,0]=4 43 B17R2.219 CC1=CC(=CNC1=O)C(O)c2ccccc2 Amb23446842 [0,1,0,0,1,0|2,0,0]=4 44 B17R2.219 OC(c1ccc(c(c1)O)O)c2ccccn2 Amb17595910 [0,1,0,0,1,0|1,0,1]=4 45 B17R3.18998 O=C1C=CC=2CCc3ccccc3C2N1 Amb23450145 [1,0,0,1,0,0|2,0,0]=4 46 B15R2.29 Brc1ccc(Cc2cccc[n]2)cc1 Amb25168108 [1,0,0,0,1,0|2,0,0]=4 47 B15R2.29 Cc1ccc(Cc2cccc[n]2)cc1 Amb25383412 [1,0,0,0,1,0|2,0,0]=4 48 B15R2.29 Clc1ccc(Cc2cccc[n]2)cc1 Amb24080699 [1,0,0,0,1,0|2,0,0]=4 49 B15R2.29 Nc1ccc(Cc2cccc[n]2)c[n]1 Amb24375850 [1,0,0,0,1,0|1,0,1]=4 50 B15R2.29 Nc1ccc(cc1)Cc2ccccn2 Amb1071165 [1,0,0,0,1,0|2,0,0]=4 51 B15R2.29 Nc1ccc(cc1)Cc2ccccn2 Amb2100015 [1,0,0,0,1,0|2,0,0]=4 52 B15R2.29 O=C1C=CC(=CN1)Oc2ccccc2 Amb22481662 [1,0,0,0,1,0|1,1,0]=4 53 B15R2.29 O=C1C=CC(=CN1)Sc2ccccc2 Amb24404830 [1,0,0,0,1,0|1,0,0]=3 54 B15R2.29 O=C1C=CC(Cc2c[n]ccc2)=CN1 Amb25185747 [1,0,0,0,1,0|2,0,0]=4 55 B15R2.29 O=C1C=CN(Cc2cccc[n]2)C=C1 Amb25800647 [1,0,0,0,1,0|2,0,0]=4 56 B15R2.29 O=C1NC=C(C=N1)Sc2ccccc2 Amb22443135 [1,0,0,0,1,0|2,0,0]=4 57 B15R2.29 Oc1ccc(Cc2cccc[n]2)cc1 Amb18649106 [1,0,0,0,1,0|1,0,1]=4 58 B15R2.29 S=C1C=CC(=CN1)Sc2ccccc2 Amb24740960 [1,0,0,0,1,0|1,1,0]=4 59 B15R2.100 O=C1C=CC(=CN1)NCc2[n]cc[s]2 Amb25038615 [1,0,0,0,1,0|2,0,0]=4 60 B15R2.100 O=C1C=CC(=CN1)NCc2c[s]cc2 Amb25078308 [1,0,0,0,1,0|2,0,0]=4 61 B15R2.100 O=C1C=CC(=CN1)NCc2cc[nH][n]2 Amb24665455 [1,0,0,0,1,0|2,0,0]=4 62 B15R2.100 O=C1C=CC(=CN1)NCc2ccc[nH]2 Amb25038452 [1,0,0,0,1,0|1,0,1]=4 63 B15R2.100 O=C1C=CC(=CN1)NCc2ccc[s]2 Amb25819557 [1,0,0,0,1,0|2,0,0]=4 64 B15R2.100 O=C1C=CC(=CN1)NCc2ccco2 Amb25029205 [1,0,0,0,1,0|2,0,0]=4 65 B15R2.31 Nc1cc(Cc2cccc[n]2)ccc1 Amb25664343 [1,0,0,0,1,0|2,0,0]=4 66 B15R2.31 Nc1cc(ccc1)Sc2cccc[n]2 Amb18950168 [1,0,0,0,1,0|2,0,0]=4 67 B15R2.31 Oc1cc(Cc2cccc[n]2)ccc1 Amb25263061 [1,0,0,0,1,0|1,0,0]=3 68 B15R2.31 Oc1cc(ccc1)Nc2cccc[n]2 Amb18931893 [1,0,0,0,1,0|2,0,0]=4 69 B15R2.31 Oc1cc(ccc1)Sc2cc[n]c[n]2 Amb24473038 [1,0,0,0,1,0|2,0,0]=4 70 B15R2.31 Oc1cc(ccc1)Sc2ccc[n][n]2 Amb25127413 [1,0,0,0,1,0|2,0,0]=4 71 B15R2.31 Oc1cccc(c1)Cc2ccccc2 Amb10602238 [1,0,0,0,1,0|2,0,0]=4 72 B15R2.1117 Oc1cc(ccc1)SCc2c[s]cc2 Amb24396686 [1,0,0,0,1,0|2,0,0]=4 73 B15R2.92 CC1=CC(Cc2[n]cc[s]2)=CNC1=O Amb24645976 [0,0,0,0,2,0|2,0,0]=4 74 B15R2.94 CC1=CC(=CNC1=O)c2c[n]cc[n]2 Amb25092385 [0,0,0,0,2,0|2,0,0]=4 75 B15R2.94 NC1=CC(=CNC1=O)c2cc[n]c[n]2 Amb18649818 [0,0,0,0,2,0|2,0,0]=4 76 B15R2.94 NC1=CC(=CNC1=O)c2cccc[n]2 Amb21857179 [0,0,0,0,2,0|1,0,0]=3 77 B15R2.94 NC1=CC(=CNC1=O)c2ccccc2 Amb18538522 [0,0,0,0,2,0|2,0,0]=4 78 B15R2.94 O=C1NC=C(C=C1Br)c2cccc[n]2 Amb25183664 [0,0,0,0,2,0|1,0,0]=3 79 B15R2.94 OC1=CC(=CNC1=O)c2cc[n]cc2 Amb24402143 [0,0,0,0,2,0|2,0,0]=4 80 B15R2.314 Cc1[nH]c(Cc2cccc[n]2)[n]c1O Amb24476109 [0,0,0,0,2,0|2,0,0]=4 81 B17R2.216 Clc1ccc(CSCc2cccc[n]2)c[n]1 Amb21984720 [1,0,0,0,0,1|1,0,1]=4 82 B17R2.216 Fc1ccc(cc1)SCCc2ccccn2 Amb1805494 [1,0,0,0,0,1|2,0,0]=4