0 B17R2.193 NC1=CN=C(COc2ccccc2)NC1=O Amb18531749 [0,0,0,0,0,0|3,0,1]=4 1 B17R2.193 NC1=NNC(NCc2ccccc2)=NC1=O Amb24757596 [0,0,0,0,0,0|4,0,0]=4 2 B17R2.193 Nc1ncc(cc1C)CSc2ccccc2 Amb10562408 [0,0,0,0,0,0|3,1,0]=4 3 B17R2.193 OC1=COC(CSc2cccc[n]2)=CC1=O Amb24298724 [0,0,0,0,0,0|3,1,0]=4 4 B16R2.132 Clc1ccc(COc2ccccc2)[n][n]1 Amb24522501 [1,0,0,0,0,0|1,0,1]=3 5 B16R2.132 Clc1ccc(CSc2ccccc2)[n][n]1 Amb25757586 [1,0,0,0,0,0|1,1,1]=4 6 B16R2.132 Ic1ccc(CCc2ccccc2)[n][n]1 Amb22749749 [1,0,0,0,0,0|2,0,1]=4 7 B16R2.132 Ic1ccc(COc2ccccc2)cc1 Amb25828841 [1,0,0,0,0,0|3,0,0]=4 8 B16R2.132 NC=1NN=C(COc2ccccc2)NN1 Amb20414085 [1,0,0,0,0,0|3,0,0]=4 9 B16R2.132 Nc1ccc(cc1)COc2ccccc2 Amb1136463 [1,0,0,0,0,0|3,0,0]=4 10 B16R2.132 Oc1ccc(CCc2ccccc2)cc1 Amb24066192 [1,0,0,0,0,0|3,0,0]=4 11 B16R2.132 Oc1ccc(NCc2ccccc2)[n][n]1 Amb21984448 [1,0,0,0,0,0|2,0,1]=4 12 B16R2.132 Oc1ccc(cc1)CNc2ccccc2 Amb10609692 [1,0,0,0,0,0|3,0,0]=4 13 B16R2.132 Oc1ccc(nn1)\C=C\c2ccccc2 Amb2406450 [1,0,0,0,0,0|1,0,2]=4 14 B16R2.132 SC=1NN=C(COc2ccccc2)NN1 Amb20414059 [1,0,0,0,0,0|2,1,0]=4 15 B16R2.252 Brc1c[n]cc(CNc2ccccc2)c1 Amb22276864 [1,0,0,0,0,0|3,0,0]=4 16 B16R2.252 Brc1c[n]cc(COc2ccccc2)c1 Amb24522317 [1,0,0,0,0,0|2,0,0]=3 17 B16R2.252 Brc1c[n]cc(CSc2ccccc2)c1 Amb24591650 [1,0,0,0,0,0|2,1,0]=4 18 B16R2.252 Clc1cc(COc2ccccc2)[n]cc1 Amb24392355 [1,0,0,0,0,0|2,0,1]=4 19 B16R2.252 Clc1cc(COc2ccccc2)ccc1 Amb22285366 [1,0,0,0,0,0|3,0,0]=4 20 B16R2.252 Oc1cc(COc2ccccc2)ccc1 Amb23443322 [1,0,0,0,0,0|2,0,1]=4 21 B18R2.2562 COC1=COC(CSc2ccccc2)=CC1=O Amb22471189 [0,1,0,0,0,0|2,1,0]=4 22 B18R2.2562 COc1ccc(COc2ccccc2)cc1F Amb22275873 [0,1,0,0,0,0|3,0,0]=4 23 B18R2.6533 CN1N=C(Cl)C(=O)C=C1OCc2ccccc2 Amb24651795 [0,1,0,0,0,0|3,0,0]=4 24 B18R2.9259 Cc1ccc(cc1)SCC2=CC(=O)C(O)=CO2 Amb21176408 [0,1,0,0,0,0|2,1,0]=4 25 B18R2.9259 OC1=COC(CSc2ccc(Br)cc2)=CC1=O Amb21176416 [0,1,0,0,0,0|2,1,0]=4 26 B18R2.9259 OC1=COC(CSc2ccc(Cl)cc2)=CC1=O Amb21176402 [0,1,0,0,0,0|2,1,0]=4 27 B18R2.9259 OC1=COC(CSc2ccc(F)cc2)=CC1=O Amb21176422 [0,1,0,0,0,0|2,1,0]=4 28 B18R2.39765 OC1=COC(CSc2ccccc2Br)=CC1=O Amb21176532 [0,1,0,0,0,0|2,1,0]=4 29 B18R2.39765 OC1=COC(CSc2ccccc2Cl)=CC1=O Amb21176405 [0,1,0,0,0,0|2,1,0]=4 30 B18R2.39765 OC1=COC(CSc2ccccc2F)=CC1=O Amb19339977 [0,1,0,0,0,0|2,1,0]=4 31 B18R3.6310 O=c1cc2CNc3c(n2cc1O)cccc3 Amb10976665 [0,0,0,1,0,0|2,0,0]=3 32 B18R3.6310 OC1=CN2C(CNc3ccccc23)=CC1=O Amb20413981 [0,0,0,1,0,0|2,0,0]=3 33 B16R2.124 Cc1cc(Cc2ccccc2)ccc1O Amb24065834 [0,0,0,0,1,0|3,0,0]=4 34 B16R2.124 Nc1cc(Cc2ccccc2)ccc1O Amb18285718 [0,0,0,0,1,0|3,0,0]=4 35 B16R2.124 Nc1cc(ccc1O)Oc2ccccc2 Amb18555885 [0,0,0,0,1,0|3,0,0]=4 36 B16R2.124 Oc1ccc(Cc2ccccc2)cc1Cl Amb24065833 [0,0,0,0,1,0|3,0,0]=4 37 B16R2.124 Oc1ccc(Cc2ccccc2)cc1O Amb24060583 [0,0,0,0,1,0|2,0,1]=4 38 B16R2.2884 Cn1nc(cc1C)COc2ccccc2 Amb17237504 [0,0,0,0,1,0|3,0,0]=4 39 B16R2.2884 Cn1nc(cc1N)COc2ccccc2 Amb17237684 [0,0,0,0,1,0|3,0,0]=4 40 B15R1.5919 O=C(COc1ccccc1)NCC(=O)O Amb1105544 [1,0,1,0,0,0|2,0,0]=4 41 B15R2.2195 C(Cc1ccc[n][n]1)c2ccccc2 Amb25100907 [2,0,0,0,0,0|1,0,1]=4 42 B15R2.2195 C(Oc1c[n]ccc1)c2c[n]ccc2 Amb25340715 [2,0,0,0,0,0|2,0,0]=4 43 B15R2.2195 C(Oc1ccccc1)c2cccc[n]2 Amb24445950 [2,0,0,0,0,0|1,0,1]=4 44 B15R2.2195 C(Oc1ccccc1)c2ccccc2 Amb24097492 [2,0,0,0,0,0|2,0,0]=4 45 B15R2.2195 c1ccc(cc1)SCc2cccnc2 Amb10632429 [2,0,0,0,0,0|1,1,0]=4 46 B17R2.48 COc1ccc(COc2ccccc2)cc1 Amb24064723 [1,1,0,0,0,0|2,0,0]=4 47 B17R2.3212 OC1=CC(=O)N=C(COc2ccccc2)N1 Amb24062707 [1,1,0,0,0,0|2,0,0]=4 48 B17R2.2929 Cc1[n][nH]c(COc2ccccc2)c1CN Amb19982757 [0,1,0,0,1,0|2,0,0]=4 49 B17R2.2929 Cc1[n][nH]c(COc2ccccc2)c1CO Amb19982755 [0,1,0,0,1,0|1,0,1]=4 50 B17R2.19533 Cc1c(COc2cccc(N)c2)[nH][n]c1C Amb18225966 [0,1,0,0,1,0|2,0,0]=4 51 B17R2.20645 Cc1c(COc2ccccc2N)[nH][n]c1C Amb18225968 [0,1,0,0,1,0|2,0,0]=4 52 B17R2.56458 Cc1c(COc2ccc(N)cc2)[nH][n]c1C Amb18225964 [0,1,0,0,1,0|2,0,0]=4 53 B19R2.2679 COC1=CNC(CSc2ccc(F)cc2)=CC1=O Amb18384440 [0,2,0,0,0,0|1,1,0]=4 54 B17R2.5637 OC(=O)c1cc([nH]n1)COc2ccccc2 Amb17243025 [0,0,1,1,0,0|2,0,0]=4 55 B17R3.31 O=C1C=C2COc3ccccc3C2=NN1 Amb19086142 [1,0,0,1,0,0|2,0,0]=4 56 B15R2.29 Clc1ccc(Cc2ccccc2)c[n]1 Amb21927408 [1,0,0,0,1,0|2,0,0]=4 57 B15R2.29 Clc1ccc(nn1)Cc2ccccc2 Amb2427199 [1,0,0,0,1,0|1,0,1]=4 58 B15R2.29 Ic1ccc([n][n]1)Oc2ccccc2 Amb25208361 [1,0,0,0,1,0|1,0,1]=4 59 B15R2.29 Nc1ccc(Cc2ccccc2)[n][n]1 Amb18822485 [1,0,0,0,1,0|1,0,1]=4 60 B15R2.29 Nc1ccc(Cc2ccccc2)c[n]1 Amb18648928 [1,0,0,0,1,0|2,0,0]=4 61 B15R2.29 Nc1ccc([n][n]1)Oc2ccccc2 Amb18649558 [1,0,0,0,1,0|1,0,1]=4 62 B15R2.29 Oc1[n]cc(Cc2ccccc2)c[n]1 Amb25066482 [1,0,0,0,1,0|2,0,0]=4 63 B15R2.29 Oc1c[n]c(Cc2ccccc2)cc1 Amb18649107 [1,0,0,0,1,0|1,0,1]=4 64 B15R2.29 Oc1c[n]c(cc1)Oc2ccccc2 Amb25132881 [1,0,0,0,1,0|1,0,1]=4 65 B15R2.29 Oc1ccc(Cc2ccccc2)c[n]1 Amb24364633 [1,0,0,0,1,0|1,0,0]=3 66 B15R2.29 Oc1ccc(cc1)Cc2ccccc2 Amb2041131 [1,0,0,0,1,0|2,0,0]=4 67 B15R2.29 Oc1ccc(cc1)[14CH2]c2ccccc2 Amb17615318 [1,0,0,0,1,0|2,0,0]=4 68 B15R2.29 Oc1ccc(nn1)Cc2ccccc2 Amb2427186 [1,0,0,0,1,0|0,0,1]=3 69 B15R2.29 Oc1ccc(nn1)Cc2ccccn2 Amb2430377 [1,0,0,0,1,0|1,0,1]=4 70 B15R2.283 Brc1cc(COc2ccccc2)o[n]1 Amb23449482 [1,0,0,0,1,0|2,0,0]=4 71 B15R2.283 Brc1ccc(COc2ccccc2)[s]1 Amb25757668 [1,0,0,0,1,0|2,0,0]=4 72 B15R2.283 Cc1[n]c(COc2ccccc2)c[s]1 Amb24626466 [1,0,0,0,1,0|2,0,0]=4 73 B15R2.283 Cc1cc(CNc2ccccc2)[nH][n]1 Amb18975698 [1,0,0,0,1,0|2,0,0]=4 74 B15R2.283 Cc1ccc(CCc2ccccc2)[nH]1 Amb24639064 [1,0,0,0,1,0|2,0,0]=4 75 B15R2.283 Clc1c[s]c(COc2ccccc2)[n]1 Amb24756352 [1,0,0,0,1,0|2,0,0]=4 76 B15R2.283 Clc1ccc(COc2ccccc2)[s]1 Amb25114449 [1,0,0,0,1,0|2,0,0]=4 77 B15R2.283 Nc1c[s]c(COc2ccccc2)[n]1 Amb24714434 [1,0,0,0,1,0|2,0,0]=4 78 B15R2.283 Nc1n[nH]c(c1)CCc2ccccc2 Amb17234443 [1,0,0,0,1,0|2,0,0]=4 79 B15R2.283 Nc1scc(n1)COc2ccccc2 Amb1106879 [1,0,0,0,1,0|2,0,0]=4 80 B15R2.283 Oc1[n][n]c(COc2ccccc2)o1 Amb18066276 [1,0,0,0,1,0|1,0,1]=4 81 B15R2.283 Oc1c[nH]c(CSc2ccccc2)[n]1 Amb24337603 [1,0,0,0,1,0|1,1,0]=4 82 B15R2.283 Oc1c[s]c(COc2ccccc2)[n]1 Amb24340582 [1,0,0,0,1,0|1,0,0]=3 83 B15R2.283 Oc1cc(COc2ccccc2)[n]o1 Amb20672957 [1,0,0,0,1,0|1,0,1]=4 84 B15R2.31 Brc1c[n]cc(Cc2ccccc2)c1 Amb25104327 [1,0,0,0,1,0|2,0,0]=4 85 B15R2.31 Brc1c[n]cc(c1)Oc2ccccc2 Amb20241431 [1,0,0,0,1,0|2,0,0]=4 86 B15R2.31 Cc1c[n]cc(Cc2ccccc2)c1 Amb24081369 [1,0,0,0,1,0|2,0,0]=4 87 B15R2.31 Nc1c[n]cc(Cc2ccccc2)c1 Amb18191581 [1,0,0,0,1,0|2,0,0]=4 88 B15R2.31 O=C1C=C(C=NN1)Oc2ccccc2 Amb25085743 [1,0,0,0,1,0|2,0,0]=4 89 B15R2.31 O=C1C=C(Cc2ccccc2)OC=C1 Amb25269749 [1,0,0,0,1,0|2,0,0]=4 90 B15R2.31 O=C1C=C(NC=N1)Oc2ccccc2 Amb24062690 [1,0,0,0,1,0|2,0,0]=4 91 B15R2.31 O=C1C=NN=C(Cc2ccccc2)N1 Amb25054695 [1,0,0,0,1,0|1,0,1]=4 92 B15R2.94 NC1=NNC(=NC1=O)c2ccccc2 Amb18649817 [0,0,0,0,2,0|2,0,0]=4 93 B15R2.94 O=C1C=C(NNC1=O)c2ccccc2 Amb20660950 [0,0,0,0,2,0|0,0,2]=4 94 B15R2.314 Cc1[nH]c(Cc2ccccc2)[n]c1O Amb25192837 [0,0,0,0,2,0|2,0,0]=4 95 B15R2.314 Cc1cn(nc1O)Cc2ccccc2 Amb10563083 [0,0,0,0,2,0|2,0,0]=4 96 B15R2.314 Oc1[n][n](Cc2ccccc2)cc1Br Amb23541503 [0,0,0,0,2,0|2,0,0]=4 97 B17R2.216 Clc1ccc(COCc2ccccc2)[n][n]1 Amb25704622 [1,0,0,0,0,1|1,0,1]=4 98 B17R2.216 Nc1ccc(COCc2ccccc2)c[n]1 Amb18309407 [1,0,0,0,0,1|2,0,0]=4 99 B17R2.216 Oc1ccc(COCc2ccccc2)cc1 Amb25319925 [1,0,0,0,0,1|2,0,0]=4