0 B11R2.20 c1ccc2c(c1)CCCC2 LS40429 [0,0,0,0,0,0|1,0,3]=4 1 B11R2.20 c1ccc2c(c1)NCCO2 LS40407 [0,0,0,0,0,0|3,0,1]=4 2 B12R2.24 Cc1ccc2c(c1)nccn2 LS20082 [0,1,0,0,0,0|3,0,0]=4 3 B12R2.24 Cc1ccc2ccccc2n1 LS20882 [0,1,0,0,0,0|2,0,0]=3 4 B12R2.24 c1cc2cc(ccc2nc1)Br LS20107 [0,1,0,0,0,0|2,0,0]=3 5 B12R2.24 c1cc2cc(ccc2nc1)Br LS20924 [0,1,0,0,0,0|2,0,0]=3 6 B12R2.24 c1cc2cc(ccc2nc1)N LS20703 [0,1,0,0,0,0|2,0,0]=3 7 B12R2.24 c1cc2cc(ccc2nc1)O LS20702 [0,1,0,0,0,0|2,0,0]=3 8 B12R2.24 c1cc2ccc(cc2nc1)Br LS20471 [0,1,0,0,0,0|2,0,0]=3 9 B12R2.24 c1cc2cnccc2cc1Br LS20209 [0,1,0,0,0,0|0,0,0]=1 10 B12R2.24 c1cc2cncnc2cc1Cl LS21137 [0,1,0,0,0,0|1,0,0]=2 11 B12R2.24 c1ccc2c(c1)CCC(=O)C2 LS41173 [0,1,0,0,0,0|1,0,2]=4 12 B12R2.24 c1ccc2c(c1)NC(=O)CO2 LS40207 [0,1,0,0,0,0|3,0,0]=4 13 B12R2.24 c1ccc2cc(ccc2c1)Br LS20581 [0,1,0,0,0,0|1,0,0]=2 14 B12R2.24 c1ccc2cnc(cc2c1)Cl LS20460 [0,1,0,0,0,0|0,0,0]=1 15 B12R2.24 c1ccc2cnc(cc2c1)N LS20125 [0,1,0,0,0,0|0,0,0]=1 16 B12R2.1081 c1cc2c(cc[nH]c2=O)nc1 LS40892 [0,1,0,0,0,0|1,0,1]=3 17 B12R2.1081 c1cc2c(cccn2)c(c1)Br LS21041 [0,1,0,0,0,0|2,0,0]=3 18 B12R2.1081 c1cc2cnccc2c(c1)Br LS20772 [0,1,0,0,0,0|0,0,0]=1 19 B12R2.1081 c1cc2cnccc2c(c1)N LS21163 [0,1,0,0,0,0|0,0,0]=1 20 B12R2.1081 c1ccc2c(c1)c(=O)[nH]nn2 LS41926 [0,1,0,0,0,0|2,0,0]=3 21 B12R2.1081 c1ccc2c(c1)c(ccn2)Br LS20196 [0,1,0,0,0,0|2,0,0]=3 22 B12R2.1081 c1ccc2c(c1)c(ccn2)O LS21125 [0,1,0,0,0,0|2,0,0]=3 23 B12R2.1081 c1ccc2c(c1)c(ncn2)Cl LS21169 [0,1,0,0,0,0|1,0,0]=2 24 B12R2.1081 c1ccc2c(c1)cccc2Br LS11682 [0,1,0,0,0,0|1,0,0]=2 25 B12R2.1081 c1ccc2c(c1)cccc2F LS11687 [0,1,0,0,0,0|1,0,0]=2 26 B12R2.1081 c1ccc2c(c1)cccc2N LS41003 [0,1,0,0,0,0|1,0,0]=2 27 B12R2.1081 c1ccc2c(c1)ccnc2Cl LS20934 [0,1,0,0,0,0|0,0,0]=1 28 B12R2.1081 c1cnnc2c1c(=O)[nH]cn2 LS40127 [0,1,0,0,0,0|3,0,0]=4 29 B10R1.4 C=CCc1ccccc1O LS11683 [0,0,1,0,0,0|2,0,1]=4 30 B10R1.17 c1ccc(cc1)C#CC=O LS11729 [0,0,1,0,0,0|2,0,1]=4 31 B10R1.17 c1ccc(cc1)CN=C=S LS11773 [0,0,1,0,0,0|1,0,2]=4 32 B10R1.20 CCc1ccccc1C=O LS00084 [0,0,1,0,0,0|1,0,2]=4 33 B10R1.20 c1ccc(c(c1)C=O)C=O LS11855 [0,0,1,0,0,0|2,0,0]=3 34 B10R2.7 c1cc2c(cc[nH]2)nc1 LS21035 [0,0,0,0,1,0|1,0,1]=3 35 B10R2.7 c1cc2cc[nH]c2nc1 LS21042 [0,0,0,0,1,0|1,0,1]=3 36 B10R2.7 c1cc2nccn2nc1 LS40935 [0,0,0,0,1,0|2,0,0]=3 37 B10R2.7 c1ccc2c(c1)CC=C2 LS11754 [0,0,0,0,1,0|0,0,1]=2 38 B10R2.7 c1ccc2c(c1)CNC2 LS40329 [0,0,0,0,1,0|0,0,3]=4 39 B10R2.7 c1ccc2c(c1)OCO2 LS10418 [0,0,0,0,1,0|2,0,1]=4 40 B10R2.7 c1ccc2c(c1)ccs2 LS40109 [0,0,0,0,1,0|1,0,0]=2 41 B10R2.7 c1ccc2c(c1)cn[nH]2 LS20969 [0,0,0,0,1,0|1,0,0]=2 42 B10R2.7 c1ccc2c(c1)nsn2 LS41252 [0,0,0,0,1,0|2,0,0]=3 43 B10R2.7 c1cnc-2[nH]cncc12 LS40963 [0,0,0,0,1,0|2,0,0]=3 44 B9R1.8 c1cc(cnc1)CC=O LS21221 [1,0,1,0,0,0|1,0,1]=4 45 B9R1.15 C=Cc1ccccc1Br LS11653 [1,0,1,0,0,0|1,0,0]=3 46 B9R1.15 C=Cc1ccccc1Cl LS11654 [1,0,1,0,0,0|1,0,0]=3 47 B9R1.15 C=Cc1ccccc1F LS11647 [1,0,1,0,0,0|1,0,0]=3 48 B9R1.15 Cc1ccccc1C=O LS11852 [1,0,1,0,0,0|1,0,1]=4 49 B9R1.15 c1ccc(c(c1)C=O)N LS10114 [1,0,1,0,0,0|1,0,1]=4 50 B9R1.15 c1cncc(c1C=O)Br LS20109 [1,0,1,0,0,0|2,0,0]=4 51 B11R1.91 c1cc(cnc1)\C=C\C(=O)O LS20492 [0,1,1,0,0,0|1,0,0]=3 52 B11R1.91 c1ccc(cc1)\C=C\C(=O)O LS00072 [0,1,1,0,0,0|2,0,0]=4 53 B11R2.1 c1c(c2cncnc2[nH]1)I LS40983 [0,1,0,0,1,0|2,0,0]=4 54 B11R2.1 c1cc2c(c[nH]c2nc1)Br LS40010 [0,1,0,0,1,0|1,0,1]=4 55 B11R2.10 CC1=Cc2ccccc2C1 LS00050 [0,1,0,0,1,0|0,0,1]=3 56 B11R2.10 c1ccc2c(c1)CC(=O)O2 LS40288 [0,1,0,0,1,0|1,0,1]=4 57 B11R2.10 c1ccc2c(c1)[nH]c(n2)N LS11771 [0,1,0,0,1,0|1,0,0]=3 58 B11R2.10 c1ccc2c(c1)[nH]c(n2)S LS21164 [0,1,0,0,1,0|1,0,0]=3 59 B11R2.10 c1ccc2c(c1)nc(o2)S LS40249 [0,1,0,0,1,0|1,0,0]=3 60 B11R2.36 Cc1ccc2c(c1)cn[nH]2 LS20968 [0,1,0,0,1,0|1,0,0]=3 61 B11R2.36 c1c2cn[nH]c2cnc1Br LS40097 [0,1,0,0,1,0|2,0,0]=4 62 B11R2.36 c1c[nH]c2c1cc(cn2)Br LS00010 [0,1,0,0,1,0|1,0,1]=4 63 B11R2.36 c1c[nH]c2c1cc(cn2)Cl LS20805 [0,1,0,0,1,0|1,0,1]=4 64 B11R2.36 c1cc(cc2c1cc[nH]2)Br LS20434 [0,1,0,0,1,0|0,0,1]=3 65 B11R2.36 c1cc(cc2c1cc[nH]2)Cl LS20474 [0,1,0,0,1,0|0,0,1]=3 66 B11R2.36 c1cc(cc2c1cc[nH]2)O LS20137 [0,1,0,0,1,0|0,0,1]=3 67 B11R2.36 c1cc(cc2c1ccs2)O LS21200 [0,1,0,0,1,0|1,0,0]=3 68 B11R2.36 c1cc(nc2c1cc[nH]2)Br LS40890 [0,1,0,0,1,0|1,0,1]=4 69 B11R2.36 c1cc(nc2c1cc[nH]2)Cl LS20806 [0,1,0,0,1,0|1,0,1]=4 70 B11R2.36 c1cc(nc2c1cc[nH]2)F LS40390 [0,1,0,0,1,0|1,0,1]=4 71 B11R2.36 c1cc2c(cc1O)cn[nH]2 LS20975 [0,1,0,0,1,0|1,0,0]=3 72 B11R2.36 c1cc2cn[nH]c2cc1I LS21119 [0,1,0,0,1,0|1,0,0]=3 73 B11R2.36 c1cc2ncnn2cc1Br LS40145 [0,1,0,0,1,0|2,0,0]=4 74 B11R2.36 c1cc2ncnn2cc1I LS40901 [0,1,0,0,1,0|2,0,0]=4 75 B11R2.36 c1cn2ccnc2cc1Br LS40857 [0,1,0,0,1,0|1,0,0]=3 76 B11R2.106 Cc1cccc2c1[nH]cc2 LS20946 [0,1,0,0,1,0|0,0,1]=3 77 B11R2.106 c1c[nH]c2c1c(ccn2)Br LS20490 [0,1,0,0,1,0|1,0,1]=4 78 B11R2.106 c1c[nH]c2c1c(ccn2)Cl LS40318 [0,1,0,0,1,0|1,0,1]=4 79 B11R2.106 c1c[nH]c2c1c(ccn2)F LS40896 [0,1,0,0,1,0|1,0,1]=4 80 B11R2.106 c1c[nH]c2c1c(ncn2)N LS40962 [0,1,0,0,1,0|2,0,0]=4 81 B11R2.106 c1c[nH]c2c1c(ncn2)O LS40213 [0,1,0,0,1,0|2,0,0]=4 82 B11R2.106 c1c[nH]c2c1ncnc2Cl LS40093 [0,1,0,0,1,0|2,0,0]=4 83 B11R2.106 c1cc(c2c(c1)[nH]cn2)N LS40244 [0,1,0,0,1,0|1,0,0]=3 84 B11R2.106 c1cc(c2cc[nH]c2c1)N LS21193 [0,1,0,0,1,0|0,0,1]=3 85 B11R2.106 c1cc2c(cc[nH]2)c(c1)Cl LS00129 [0,1,0,0,1,0|0,0,1]=3 86 B11R2.106 c1cc2c(cc[nH]2)c(c1)F LS20629 [0,1,0,0,1,0|0,0,1]=3 87 B11R2.106 c1cc2c(ccs2)c(c1)Br LS20825 [0,1,0,0,1,0|1,0,0]=3 88 B11R2.106 c1cc2c(cn[nH]2)c(c1)Br LS20792 [0,1,0,0,1,0|1,0,0]=3 89 B11R2.106 c1cc2c(cn[nH]2)c(c1)F LS20965 [0,1,0,0,1,0|1,0,0]=3 90 B11R2.106 c1cc2c(ncnn2c1)Cl LS40859 [0,1,0,0,1,0|2,0,0]=4 91 B11R2.106 c1cc2cc[nH]c2[n+](c1)[O-] LS20800 [0,1,0,0,1,0|1,0,1]=4 92 B11R2.106 c1cnc-2[nH]cnc(c12)Cl LS40282 [0,1,0,0,1,0|2,0,0]=4 93 B13R2.57 c1cc2cc(ccc2nc1)C=O LS00079 [0,2,0,0,0,0|2,0,0]=4 94 B13R2.57 c1ccc2cc(ccc2c1)C=O LS40773 [0,2,0,0,0,0|1,0,0]=3 95 B13R2.57 c1ccc2cc(ccc2c1)CBr LS40772 [0,2,0,0,0,0|1,0,0]=3 96 B13R2.57 c1ccc2cc(ccc2c1)CN LS40774 [0,2,0,0,0,0|1,0,0]=3 97 B13R2.57 c1ccc2cc(ccc2c1)CO LS40771 [0,2,0,0,0,0|1,0,0]=3 98 B13R2.155 c1cc(cc2c1ccc(=O)[nH]2)O LS40267 [0,2,0,0,0,0|2,0,0]=4 99 B13R2.155 c1cc(cc2c1ccc(c2)Br)Br LS11864 [0,2,0,0,0,0|1,0,0]=3 100 B13R2.155 c1cc(cc2c1ccc(c2)Br)O LS40964 [0,2,0,0,0,0|1,0,0]=3 101 B13R2.162 c1cc2c(cc1Br)c(ncn2)O LS40887 [0,2,0,0,0,0|1,0,0]=3 102 B13R2.162 c1cc2c(cc1I)c(ncn2)O LS20468 [0,2,0,0,0,0|1,0,0]=3 103 B13R2.162 c1cc2ccc(nc2c(c1)Cl)Cl LS20831 [0,2,0,0,0,0|2,0,0]=4 104 B13R2.162 c1cc2ccc(nc2c(c1)O)O LS40646 [0,2,0,0,0,0|2,0,0]=4 105 B13R2.328 c1cc2c(cc(nc2Cl)Cl)nc1 LS40011 [0,2,0,0,0,0|1,0,0]=3 106 B13R2.328 c1ccc2c(c1)c(cc(=O)o2)O LS40467 [0,2,0,0,0,0|2,0,0]=4 107 B13R2.328 c1ccc2c(c1)c(nc(n2)Cl)Cl LS20489 [0,2,0,0,0,0|1,0,0]=3 108 B13R2.328 c1ccc2c(c1)cc(nc2Cl)Cl LS20299 [0,2,0,0,0,0|0,0,0]=2 109 B13R2.3683 c1cc(cc2c1cc(cc2)Br)Br LS11863 [0,2,0,0,0,0|1,0,0]=3 110 B13R2.3683 c1cc2c(cc1Br)cnc(n2)Cl LS40889 [0,2,0,0,0,0|1,0,0]=3 111 B13R2.342 c1cc2c(c(c1)Cl)ncnc2Cl LS40880 [0,2,0,0,0,0|1,0,0]=3 112 B13R2.342 c1cc2c(cccc2N)c(c1)N LS41196 [0,2,0,0,0,0|1,0,0]=3 113 B13R2.371 c1ccc2c(c1)c(=O)[nH][nH]c2=O LS40908 [0,2,0,0,0,0|1,0,1]=4 114 B13R2.371 c1ccc2c(c1)c(ccc2Br)N LS41616 [0,2,0,0,0,0|1,0,0]=3 115 B13R2.1613 c1cc2cccnc2c(c1)C=O LS40879 [0,2,0,0,0,0|2,0,0]=4 116 B13R2.4818 c1cc2c(c(c1)Br)c(ncn2)O LS40883 [0,2,0,0,0,0|1,0,0]=3