0 B17R2.193 CC1=NN=C(NC1=O)SCc2ccccc2 Amb18363511 [0,0,0,0,0,0|1,0,3]=4 1 B17R2.193 Cc1[n]c(NCc2ccccc2)[n]cc1O Amb18132013 [0,0,0,0,0,0|3,0,1]=4 2 B17R2.193 Cc1nnc(nc1O)NCc2ccccc2 Amb2538341 [0,0,0,0,0,0|2,0,1]=3 3 B17R2.193 Cc1nnc(nc1O)SCc2ccccc2 Amb2496286 [0,0,0,0,0,0|1,0,1]=2 4 B17R2.193 Nc1[n]c(NCc2ccccc2)[n][n]c1Cl Amb25739342 [0,0,0,0,0,0|3,0,1]=4 5 B17R2.193 Nc1c[n]c(NCc2ccccc2)[n]c1O Amb25177889 [0,0,0,0,0,0|3,0,0]=3 6 B17R2.193 Nc1c[n]c(NCc2ccccc2)[n]c1S Amb25186826 [0,0,0,0,0,0|3,1,0]=4 7 B17R2.193 Oc1cc(NCc2ccccc2)[n]cc1Br Amb25807362 [0,0,0,0,0,0|4,0,0]=4 8 B16R2.132 Brc1c[n]c([n]c1)OCc2ccccc2 Amb22047371 [1,0,0,0,0,0|2,1,0]=4 9 B16R2.132 Brc1c[n]c([n]c1)SCc2ccccc2 Amb21856640 [1,0,0,0,0,0|2,0,0]=3 10 B16R2.132 Cc1c[n]c(NCc2ccccc2)[n]c1 Amb25171058 [1,0,0,0,0,0|3,0,0]=4 11 B16R2.132 Cc1c[n]c([n]c1)SCc2ccccc2 Amb24210737 [1,0,0,0,0,0|2,0,0]=3 12 B16R2.132 Clc1c[n]c([n]c1)SCc2ccccc2 Amb23673495 [1,0,0,0,0,0|2,0,0]=3 13 B16R2.132 Fc1c[n]c(NCc2ccccc2)[n]c1 Amb24742999 [1,0,0,0,0,0|3,0,0]=4 14 B16R2.132 Ic1c[n]c([n]c1)OCc2ccccc2 Amb25258259 [1,0,0,0,0,0|2,1,0]=4 15 B16R2.132 Ic1c[n]c([n]c1)SCc2ccccc2 Amb25078382 [1,0,0,0,0,0|2,0,0]=3 16 B16R2.132 Nc1c[n]c(NCc2ccccc2)[n]c1 Amb18290412 [1,0,0,0,0,0|3,0,0]=4 17 B16R2.132 Nc1c[n]c([n]c1)OCc2ccccc2 Amb18972705 [1,0,0,0,0,0|2,1,0]=4 18 B16R2.132 Nc1cnc(nc1)CCc2ccccc2 Amb17486617 [1,0,0,0,0,0|3,0,0]=4 19 B16R2.132 O=C1C=CC(=CN1)OCc2ccccc2 Amb24392231 [1,0,0,0,0,0|2,1,0]=4 20 B16R2.132 O=C1C=CC(=NN1)OCc2ccccc2 Amb20299490 [1,0,0,0,0,0|1,1,0]=3 21 B16R2.132 Oc1c[n]c(NCc2ccccc2)[n]c1 Amb24464942 [1,0,0,0,0,0|2,0,1]=4 22 B16R2.252 Brc1cc[n]c([n]1)OCc2ccccc2 Amb25671334 [1,0,0,0,0,0|2,1,0]=4 23 B16R2.252 Cc1cc[n]c([n]1)OCc2ccccc2 Amb24445301 [1,0,0,0,0,0|2,1,0]=4 24 B16R2.252 Clc1cc([n]cc1)SCc2ccccc2 Amb22236362 [1,0,0,0,0,0|3,0,0]=4 25 B16R2.252 Clc1cc[n]c(NCc2ccccc2)[n]1 Amb22749353 [1,0,0,0,0,0|3,0,0]=4 26 B16R2.252 Clc1cccc([n]1)SCc2ccccc2 Amb24413279 [1,0,0,0,0,0|3,0,0]=4 27 B16R2.252 Ic1cc[n]c([n]1)OCc2ccccc2 Amb22236358 [1,0,0,0,0,0|2,1,0]=4 28 B16R2.252 Nc1cc[n]c(NCc2ccccc2)[n]1 Amb20248765 [1,0,0,0,0,0|3,0,0]=4 29 B16R2.252 Nc1cc[n]c([n]1)OCc2ccccc2 Amb19957527 [1,0,0,0,0,0|2,1,0]=4 30 B16R2.252 O=C1C=CN=C(N1)SCc2ccccc2 Amb17997525 [1,0,0,0,0,0|1,0,2]=4 31 B16R2.252 O=C1C=NN=C(N1)SCc2ccccc2 Amb21937739 [1,0,0,0,0,0|0,0,3]=4 32 B16R2.252 Oc1c[n][n]c([n]1)SCc2ccccc2 Amb19870457 [1,0,0,0,0,0|0,0,1]=2 33 B16R2.252 Oc1cc(NCc2ccccc2)[n]cc1 Amb25722203 [1,0,0,0,0,0|3,0,0]=4 34 B16R2.252 Oc1ccnc(n1)SCc2ccccc2 Amb2496175 [1,0,0,0,0,0|1,0,0]=2 35 B18R2.2562 COc1cnc(nc1O)SCc2ccccc2 Amb2421421 [0,1,0,0,0,0|1,0,1]=3 36 B18R2.2562 Cc1[n]c(ccc1C=O)SCc2ccccc2 Amb23445826 [0,1,0,0,0,0|3,0,0]=4 37 B18R2.2562 Cc1cc([n]cc1C=O)SCc2ccccc2 Amb23579624 [0,1,0,0,0,0|3,0,0]=4 38 B18R2.2562 Nc1[n]c([n]cc1C=O)SCc2ccccc2 Amb24094569 [0,1,0,0,0,0|2,0,0]=3 39 B18R2.2686 COc1[n]c([n]cc1Br)OCc2ccccc2 Amb24529952 [0,1,0,0,0,0|2,1,0]=4 40 B18R2.9259 Brc1ccc(cc1)CSc2nnc(c(n2)O)C Amb1049723 [0,1,0,0,0,0|1,0,1]=3 41 B18R2.9259 Cc1ccc(cc1)CSc2nnc(c(n2)O)C Amb2538460 [0,1,0,0,0,0|1,0,1]=3 42 B18R2.9259 Clc1ccc(cc1)CSc2nnc(c(n2)C)C Amb2415471 [0,1,0,0,0,0|2,0,1]=4 43 B18R2.9259 Clc1ccc(cc1)CSc2nnc(c(n2)O)C Amb2538463 [0,1,0,0,0,0|1,0,1]=3 44 B18R2.9259 Fc1ccc(cc1)CSc2nnc(c(n2)O)C Amb2538433 [0,1,0,0,0,0|1,0,1]=3 45 B18R2.38706 Nc1c(Cl)[n]c([n]c1Cl)SCc2ccccc2 Amb22737169 [0,1,0,0,0,0|3,0,0]=4 46 B18R2.39765 Clc1ccccc1CSc2nnc(c(n2)O)C Amb2369328 [0,1,0,0,0,0|1,0,1]=3 47 B18R2.65908 Cc1cccc(c1)CSc2nnc(c(n2)O)C Amb2538464 [0,1,0,0,0,0|1,0,1]=3 48 B16R2.124 Cc1nnc(nc1O)Nc2ccccc2 Amb2538338 [0,0,0,0,1,0|2,0,1]=4 49 B16R2.2884 Cc1[nH]c(nc1C)SCc2ccccc2 Amb1930810 [0,0,0,0,1,0|2,0,0]=3 50 B16R2.2884 Cc1oc([n]c1C)SCc2ccccc2 Amb21556971 [0,0,0,0,1,0|3,0,0]=4 51 B16R2.5952 CN1C(=O)NN=C1SCc2ccccc2 Amb20699728 [0,0,0,0,1,0|2,0,0]=3 52 B18R2.8976 Cc1nnc(nc1O)SCCc2ccccc2 Amb1049727 [0,0,0,0,0,1|1,0,1]=3 53 B15R2.2195 C(Sc1ccc[n][n]1)c2ccccc2 Amb25785634 [2,0,0,0,0,0|1,0,1]=4 54 B15R2.2195 c1ccc(cc1)CSc2ncccn2 Amb1263972 [2,0,0,0,0,0|1,0,0]=3 55 B17R2.48 O=Cc1c[n]c(CCc2ccccc2)[n]c1 Amb20413104 [1,1,0,0,0,0|2,0,0]=4 56 B17R2.48 O=Cc1c[n]c([n]c1)OCc2ccccc2 Amb25772621 [1,1,0,0,0,0|1,1,0]=4 57 B17R2.48 O=Cc1ccc([n]c1)SCc2ccccc2 Amb23446529 [1,1,0,0,0,0|2,0,0]=4 58 B17R2.48 O=Cc1cnc(nc1)SCc2ccccc2 Amb10607882 [1,1,0,0,0,0|1,0,0]=3 59 B17R2.5360 O=C1NN=C(SCc2ccccc2)C(=O)N1 Amb18010195 [1,1,0,0,0,0|2,0,0]=4 60 B17R2.5360 O=C1NN=C(SCc2ccccc2)C(=S)N1 Amb18525276 [1,1,0,0,0,0|2,0,0]=4 61 B17R2.1819 COc1cc[n]c(NCc2ccccc2)[n]1 Amb25103298 [1,1,0,0,0,0|2,0,0]=4 62 B17R2.3212 Nc1cc(Cl)[n]c([n]1)SCc2ccccc2 Amb24094562 [1,1,0,0,0,0|2,0,0]=4 63 B17R2.3212 Nc1cc(O)[n]c(CCc2ccccc2)[n]1 Amb19923596 [1,1,0,0,0,0|2,0,0]=4 64 B17R2.3212 Nc1nc(SCc2ccccc2)nc(c1)O Amb2496166 [1,1,0,0,0,0|1,0,0]=3 65 B17R2.3212 OC1=CC(=O)N=C(N1)SCc2ccccc2 Amb19518740 [1,1,0,0,0,0|1,0,1]=4 66 B17R2.3212 OC1=CC(=O)NC(=N1)SCc2ccccc2 Amb19763000 [1,1,0,0,0,0|1,0,1]=4 67 B17R2.3212 Oc1cc(F)[n]c(NCc2ccccc2)[n]1 Amb22437175 [1,1,0,0,0,0|2,0,0]=4 68 B17R2.5273 NC(Cc1ccccc1)c2[n]c(O)cc[n]2 Amb18225399 [1,1,0,0,0,0|2,0,0]=4 69 B17R2.5300 Brc1cccc(c1)CSc2nccc(n2)O Amb1897957 [1,1,0,0,0,0|1,0,0]=3 70 B17R2.5300 Cc1cc(CSc2[n][n]cc(O)[n]2)ccc1 Amb22232178 [1,1,0,0,0,0|0,0,1]=3 71 B17R2.5300 Cc1cc(CSc2[n]c(O)cc[n]2)ccc1 Amb22232171 [1,1,0,0,0,0|1,0,0]=3 72 B17R2.5300 Clc1cccc(c1)CSc2nccc(n2)O Amb1883194 [1,1,0,0,0,0|1,0,0]=3 73 B17R2.5300 Nc1cc(CCc2[n]c(O)cc[n]2)ccc1 Amb18225381 [1,1,0,0,0,0|2,0,0]=4 74 B17R2.5300 Oc1cc[n]c(CCc2cc(Br)ccc2)[n]1 Amb18888868 [1,1,0,0,0,0|2,0,0]=4 75 B17R2.41893 Nc1ccccc1CCc2[n]c(O)cc[n]2 Amb18225379 [1,1,0,0,0,0|2,0,0]=4 76 B17R2.41893 Oc1cc[n]c(CCc2ccccc2Br)[n]1 Amb18888865 [1,1,0,0,0,0|2,0,0]=4 77 B17R2.41893 Oc1ccnc(n1)SCc2ccccc2Br Amb2196952 [1,1,0,0,0,0|1,0,0]=3 78 B17R2.41893 Oc1ccnc(n1)SCc2ccccc2Cl Amb1060784 [1,1,0,0,0,0|1,0,0]=3 79 B17R2.2600 O=Cc1[s]c([n]c1Cl)SCc2ccccc2 Amb19663773 [0,1,0,0,1,0|2,0,0]=4 80 B17R2.19533 Cc1cccc(CSC2=NNC(=O)N2C)c1 Amb20699906 [0,1,0,0,1,0|2,0,0]=4 81 B17R2.20645 C[n]1c(=O)[nH][n]c1SCc2ccccc2Br Amb24077906 [0,1,0,0,1,0|2,0,0]=4 82 B17R2.20645 Cc1ccccc1CSc2n[nH]c(=O)n2C Amb11229119 [0,1,0,0,1,0|2,0,0]=4 83 B17R2.56458 CN1C(=O)NN=C1SCc2ccc(Br)cc2 Amb19387433 [0,1,0,0,1,0|2,0,0]=4 84 B17R2.56458 Cc1ccc(CSC2=NNC(=O)N2C)cc1 Amb20699895 [0,1,0,0,1,0|2,0,0]=4 85 B19R2.2679 COc1cnc(nc1O)SCc2ccc(cc2)Cl Amb2421420 [0,2,0,0,0,0|1,0,1]=4 86 B19R2.91860 OC(=O)c1cnc(nc1O)SCc2ccccc2 Amb2503819 [0,2,0,0,0,0|1,0,0]=3 87 B19R2.91860 Oc1[n]c(CCc2ccccc2)[n]cc1C(O)=O Amb19923768 [0,2,0,0,0,0|2,0,0]=4 88 B19R2.12418 OC(=O)c1nc(SCc2ccccc2)ncc1Br Amb16239744 [0,2,0,0,0,0|2,0,0]=4 89 B19R2.12418 OC(=O)c1nc(SCc2ccccc2)ncc1Cl Amb1112486 [0,2,0,0,0,0|2,0,0]=4 90 B19R2.149413 Clc1ccc(cc1Cl)CSc2nnc(c(n2)O)C Amb2538435 [0,2,0,0,0,0|1,0,1]=4 91 B19R2.1294342 Cc1c(O)[n]c([n]c1C)SCc2ccc(F)cc2 Amb20179455 [0,2,0,0,0,0|2,0,0]=4 92 B17R2.5637 NC(=O)c1onc(c1)OCc2ccccc2 Amb10604451 [0,0,1,1,0,0|1,1,0]=4 93 B15R2.29 Ic1c[n]c([n]c1)Sc2ccccc2 Amb25122555 [1,0,0,0,1,0|2,0,0]=4 94 B15R2.29 NC1=CN=C(Cc2ccccc2)NN1 Amb24662554 [1,0,0,0,1,0|1,0,1]=4 95 B15R2.29 Nc1c[n]c([n]c1)Sc2ccccc2 Amb18951554 [1,0,0,0,1,0|2,0,0]=4 96 B15R2.29 O=C1C=CC(=CN1)Sc2ccccc2 Amb24404830 [1,0,0,0,1,0|2,0,0]=4 97 B15R2.29 O=C1C=NC(Cc2c[n]ccc2)=CN1 Amb24530850 [1,0,0,0,1,0|2,0,0]=4 98 B15R2.283 Cc1[nH][n]c(NCc2ccccc2)[n]1 Amb25059489 [1,0,0,0,1,0|2,0,0]=4 99 B15R2.283 Cc1[nH]nc(c1)CCc2ccccc2 Amb17234306 [1,0,0,0,1,0|2,0,0]=4 100 B15R2.283 Cc1cc(NCc2ccccc2)[n][nH]1 Amb25204257 [1,0,0,0,1,0|2,0,0]=4 101 B15R2.283 Clc1c[s]c([n]1)SCc2ccccc2 Amb25815479 [1,0,0,0,1,0|2,0,0]=4 102 B15R2.283 Nc1[nH]nc(n1)CCc2ccccc2 Amb10607718 [1,0,0,0,1,0|2,0,0]=4 103 B15R2.283 O=C1CCC(=C1)SCc2ccccc2 Amb24435764 [1,0,0,0,1,0|2,0,0]=4 104 B15R2.283 O=C1CN=C(CCc2ccccc2)N1 Amb24743300 [1,0,0,0,1,0|1,0,1]=4 105 B15R2.283 O=C1CNC(=N1)SCc2ccccc2 Amb24366694 [1,0,0,0,1,0|0,0,2]=4 106 B15R2.283 O=C1NC(=NN1)SCc2ccccc2 Amb25828421 [1,0,0,0,1,0|0,0,1]=3 107 B15R2.283 O=C1NC(CCc2ccccc2)=NO1 Amb19072880 [1,0,0,0,1,0|2,0,0]=4 108 B15R2.283 O=C1NN=C(NCc2ccccc2)S1 Amb25059381 [1,0,0,0,1,0|2,0,0]=4 109 B15R2.283 S=C1NN=C(SCc2ccccc2)S1 Amb19533623 [1,0,0,0,1,0|1,1,0]=4 110 B15R2.31 Nc1cc[n]c(Cc2ccccc2)[n]1 Amb18959417 [1,0,0,0,1,0|2,0,0]=4 111 B15R2.31 Oc1cc(Cc2ccccc2)[n]cc1 Amb25110704 [1,0,0,0,1,0|2,0,0]=4 112 B15R2.94 CC1=CC(=NNC1=O)c2ccccc2 Amb22034430 [0,0,0,0,2,0|2,0,0]=4 113 B15R2.94 Cc1c[n]c([n]c1O)-c2ccccc2 Amb24308907 [0,0,0,0,2,0|2,0,0]=4 114 B15R2.94 Cc1nnc(nc1O)c2ccccc2 Amb2434456 [0,0,0,0,2,0|1,0,1]=4 115 B15R2.94 NC1=CC(=NNC1=O)c2ccccc2 Amb18016084 [0,0,0,0,2,0|2,0,0]=4 116 B15R2.94 NC1=NC(=NNC1=O)c2cccc[n]2 Amb18650105 [0,0,0,0,2,0|2,0,0]=4 117 B15R2.94 NC1=NC(=NNC1=O)c2ccccc2 Amb18649822 [0,0,0,0,2,0|1,0,0]=3 118 B15R2.94 NC1=NC(=NNC1=S)c2ccccc2 Amb24506409 [0,0,0,0,2,0|1,1,0]=4 119 B15R2.94 O=C1NN=C(C=C1Cl)c2ccccc2 Amb19894698 [0,0,0,0,2,0|2,0,0]=4 120 B15R2.94 Oc1[n][n]c([n]c1O)-c2ccccc2 Amb24094173 [0,0,0,0,2,0|0,0,2]=4 121 B15R2.94 Oc1c[n]c([n]c1O)-c2ccccc2 Amb18649761 [0,0,0,0,2,0|1,0,1]=4 122 B15R2.314 Cc1[nH]c(Cc2c[n]ccc2)[n]c1O Amb24388027 [0,0,0,0,2,0|2,0,0]=4 123 B15R2.314 Cc1[nH]c(Cc2cccc[n]2)[n]c1O Amb24476109 [0,0,0,0,2,0|2,0,0]=4 124 B15R2.314 Cc1[nH]c(Cc2ccccc2)[n]c1O Amb25192837 [0,0,0,0,2,0|1,0,0]=3 125 B15R2.4083 NN1C(=O)NN=C1Cc2ccccc2 Amb18650477 [0,0,0,0,2,0|2,0,0]=4 126 B17R2.216 O=C1C=CC(CNCc2ccccc2)=NN1 Amb24441435 [1,0,0,0,0,1|2,0,0]=4 127 B19R2.11839 Cc1nnc(nc1O)SCCOc2ccccc2 Amb1074695 [0,0,0,0,0,2|1,0,1]=4 128 B19R2.11839 Cc1nnc(nc1O)SC\C=C\c2ccccc2 Amb1765279 [0,0,0,0,0,2|1,0,1]=4