0 B10R1.17 c1ccc(cc1)C#CC=O LS11729 [0,0,0,0,0,0|2,0,2]=4 1 B10R1.17 c1ccc(cc1)CN=C=S LS11773 [0,0,0,0,0,0|3,0,0]=3 2 B10R1.17 c1ccc(cc1)C[Se]C#N LS11776 [0,0,0,0,0,0|3,0,0]=3 3 B10R1.17 c1ccc(cc1)NCCN LS10740 [0,0,0,0,0,0|3,0,0]=3 4 B9R1.8 CNNc1ccccc1 LS10173 [1,0,0,0,0,0|1,0,0]=2 5 B9R1.8 c1cc(cnc1)CC=O LS21221 [1,0,0,0,0,0|2,0,1]=4 6 B9R1.8 c1ccc(cc1)CCN LS10634 [1,0,0,0,0,0|0,0,0]=1 7 B9R1.8 c1ccc(cc1)CCN LS10635 [1,0,0,0,0,0|0,0,0]=1 8 B9R1.8 c1ccc(cc1)CNO LS11836 [1,0,0,0,0,0|1,0,0]=2 9 B9R1.8 c1ccc(cc1)CNO LS40338 [1,0,0,0,0,0|1,0,0]=2 10 B9R1.8 c1ccc(cc1)CON LS40003 [1,0,0,0,0,0|1,0,0]=2 11 B9R1.8 c1ccc(cc1)[Se]C#N LS11775 [1,0,0,0,0,0|1,0,2]=4 12 B9R1.8 c1ccnc(c1)CC#N LS20875 [1,0,0,0,0,0|1,0,2]=4 13 B9R1.8 c1cnccc1CCN LS21103 [1,0,0,0,0,0|1,0,0]=2 14 B11R1.1 CCCCc1ccc(cc1)Br LS11195 [0,1,0,0,0,0|1,0,0]=2 15 B11R1.1 CNCCc1ccc(cc1)O LS10122 [0,1,0,0,0,0|0,0,0]=1 16 B11R1.1 c1cc(ccc1OCCBr)Cl LS10083 [0,1,0,0,0,0|3,0,0]=4 17 B11R1.16 C[C@@H](c1ccccc1)N=C=O LS30276 [0,1,0,0,0,0|3,0,0]=4 18 B11R1.16 c1ccc(cc1)[C@@H](CCCl)O LS30119 [0,1,0,0,0,0|2,0,0]=3 19 B11R1.28 c1ccc(cc1)CCCCO LS10545 [0,1,0,0,0,0|1,0,0]=2 20 B11R1.28 c1ccc(cc1)COCCO LS10494 [0,1,0,0,0,0|2,0,0]=3 21 B11R1.28 c1cnccc1CCCCCl LS21209 [0,1,0,0,0,0|2,0,0]=3 22 B11R1.91 B(CCc1ccccc1)(O)O LS10785 [0,1,0,0,0,0|2,0,0]=3 23 B11R1.91 CC(=O)CCc1ccccc1 LS10597 [0,1,0,0,0,0|1,0,0]=2 24 B11R1.91 CC(CCc1ccccc1)N LS10632 [0,1,0,0,0,0|1,0,0]=2 25 B11R1.91 c1ccc(cc1)COC(=O)N LS40379 [0,1,0,0,0,0|3,0,0]=4 26 B11R1.91 c1ccc(cc1)CSC(=N)N LS11866 [0,1,0,0,0,0|3,0,0]=4 27 B11R2.1 c1ccc2c(c1)CCC2N LS40652 [0,0,0,1,0,0|2,0,0]=3 28 B11R2.1 c1ccc2c(c1)CC[C@H]2N LS30488 [0,0,0,1,0,0|2,0,0]=3 29 B11R2.20 c1cc2c(nc1)CCCC2 LS40266 [0,0,0,1,0,0|2,0,0]=3 30 B11R2.20 c1ccc2c(c1)CCCC2 LS40429 [0,0,0,1,0,0|1,0,0]=2 31 B11R2.20 c1ccc2c(c1)NCCO2 LS40407 [0,0,0,1,0,0|3,0,0]=4 32 B8R1.2 C#Cc1ccccc1 LS10701 [2,0,0,0,0,0|0,0,2]=4 33 B8R1.2 CNc1cccnc1 LS20470 [2,0,0,0,0,0|1,0,0]=3 34 B8R1.2 c1ccc(cc1)C=O LS41490 [2,0,0,0,0,0|1,0,1]=4 35 B8R1.2 c1ccc(cc1)CO LS41488 [2,0,0,0,0,0|1,0,0]=3 36 B8R1.2 c1cnc(cn1)CN LS20127 [2,0,0,0,0,0|2,0,0]=4 37 B8R1.2 c1cnc(cn1)CN LS20128 [2,0,0,0,0,0|2,0,0]=4 38 B8R1.2 c1cnccc1CN LS20857 [2,0,0,0,0,0|1,0,0]=3 39 B8R1.2 c1cnccc1NN LS20045 [2,0,0,0,0,0|2,0,0]=4 40 B10R1.1 CCOc1ccc(cn1)Br LS20352 [1,1,0,0,0,0|2,0,0]=4 41 B10R1.1 Cc1ccc(cc1)CCN LS11229 [1,1,0,0,0,0|0,0,0]=2 42 B10R1.1 Cc1ccc(cc1)CCO LS11239 [1,1,0,0,0,0|1,0,0]=3 43 B10R1.1 c1cc(ccc1CC#N)Cl LS11213 [1,1,0,0,0,0|0,0,2]=4 44 B10R1.1 c1cc(ccc1CCN)Br LS11228 [1,1,0,0,0,0|0,0,0]=2 45 B10R1.1 c1cc(ccc1CCN)Cl LS11230 [1,1,0,0,0,0|0,0,0]=2 46 B10R1.1 c1cc(ccc1CCN)N LS10602 [1,1,0,0,0,0|0,0,0]=2 47 B10R1.1 c1cc(ccc1CCN)O LS11714 [1,1,0,0,0,0|0,0,0]=2 48 B10R1.1 c1cc(ccc1CCO)Br LS11249 [1,1,0,0,0,0|1,0,0]=3 49 B10R1.1 c1cc(ccc1CCO)Cl LS11400 [1,1,0,0,0,0|1,0,0]=3 50 B10R1.1 c1cc(ccc1CCO)F LS11241 [1,1,0,0,0,0|1,0,0]=3 51 B10R1.4 C=CCc1ccccc1O LS11683 [1,1,0,0,0,0|0,0,2]=4 52 B10R1.4 CCOc1ccccc1Br LS10370 [1,1,0,0,0,0|1,0,0]=3 53 B10R1.4 Cc1ccccc1CCO LS11237 [1,1,0,0,0,0|1,0,0]=3 54 B10R1.4 c1ccc(c(c1)CCN)Br LS11226 [1,1,0,0,0,0|0,0,0]=2 55 B10R1.4 c1ccc(c(c1)CCN)Cl LS11231 [1,1,0,0,0,0|0,0,0]=2 56 B10R1.4 c1ccc(c(c1)CCO)Br LS11247 [1,1,0,0,0,0|1,0,0]=3 57 B10R1.4 c1ccc(c(c1)CCO)F LS11240 [1,1,0,0,0,0|1,0,0]=3 58 B10R1.4 c1ccc(c(c1)CNN)F LS10154 [1,1,0,0,0,0|1,0,0]=3 59 B10R1.10 Cc1cccc(c1)CCO LS11238 [1,1,0,0,0,0|1,0,0]=3 60 B10R1.10 c1cc(cc(c1)Br)CCN LS11227 [1,1,0,0,0,0|0,0,0]=2 61 B10R1.10 c1cc(cc(c1)Br)CCO LS11248 [1,1,0,0,0,0|1,0,0]=3 62 B10R1.10 c1cc(cc(c1)Cl)CCN LS11232 [1,1,0,0,0,0|0,0,0]=2 63 B10R1.10 c1cc(cc(c1)F)CC#N LS10556 [1,1,0,0,0,0|0,0,2]=4 64 B10R1.15 CC(CN)c1ccccc1 LS10637 [1,1,0,0,0,0|0,0,0]=2 65 B10R1.15 CC(CN)c1ccccc1 LS10638 [1,1,0,0,0,0|0,0,0]=2 66 B10R1.15 CC[C@@H](c1ccccc1)N LS30125 [1,1,0,0,0,0|0,0,0]=2 67 B10R1.15 CC[C@H](c1ccccc1)N LS30175 [1,1,0,0,0,0|0,0,0]=2 68 B10R1.15 C[C@@H](CN)c1ccccc1 LS30174 [1,1,0,0,0,0|0,0,0]=2 69 B10R1.15 C[C@H](CN)c1ccccc1 LS30173 [1,1,0,0,0,0|0,0,0]=2 70 B10R1.15 c1ccc(cc1)C(=O)CBr LS11352 [1,1,0,0,0,0|1,0,1]=4 71 B10R1.15 c1ccc(cc1)C(=O)CCl LS11677 [1,1,0,0,0,0|1,0,1]=4 72 B10R1.15 c1ccc(cc1)C(=O)CO LS10613 [1,1,0,0,0,0|1,0,1]=4 73 B10R1.15 c1ccc(cc1)[C@@H](CO)N LS30212 [1,1,0,0,0,0|1,0,0]=3 74 B10R1.15 c1ccc(cc1)[C@@H](CO)O LS30263 [1,1,0,0,0,0|1,0,0]=3 75 B10R1.15 c1ccc(cc1)[C@H](CO)N LS30213 [1,1,0,0,0,0|1,0,0]=3 76 B10R1.15 c1ccc(cc1)[C@H](CO)O LS30264 [1,1,0,0,0,0|1,0,0]=3 77 B10R1.18 B(Cc1ccccc1)(O)O LS10783 [1,1,0,0,0,0|2,0,0]=4 78 B10R1.18 CC(=O)Cc1ccncc1 LS00130 [1,1,0,0,0,0|1,0,1]=4 79 B10R1.18 c1ccc(cc1)CC(=O)N LS11701 [1,1,0,0,0,0|0,0,1]=3 80 B12R1.16 CNCC(c1ccc(cc1)O)O LS41251 [0,2,0,0,0,0|0,0,0]=2 81 B12R1.21 CC(=O)CCc1ccc(cc1)O LS40102 [0,2,0,0,0,0|1,0,0]=3 82 B12R1.71 CCCOc1ccc(cc1)C=O LS10540 [0,2,0,0,0,0|2,0,0]=4 83 B12R1.34 COC(=O)C(c1ccccc1)Br LS11730 [0,2,0,0,0,0|1,0,1]=4 84 B12R1.107 c1ccc(cc1)C(CC(=O)O)N LS11551 [0,2,0,0,0,0|2,0,0]=4 85 B12R1.107 c1ccc(cc1)C(CC(=O)O)O LS11565 [0,2,0,0,0,0|2,0,0]=4 86 B12R1.107 c1ccc(cc1)[C@@H](CC(=O)O)N LS30112 [0,2,0,0,0,0|2,0,0]=4 87 B12R1.107 c1ccc(cc1)[C@H](CC(=O)O)N LS30295 [0,2,0,0,0,0|2,0,0]=4 88 B12R1.107 c1ccc(cc1)[C@H](CC(=O)O)N LS30296 [0,2,0,0,0,0|2,0,0]=4 89 B12R1.371 COC(=O)Cc1ccccc1O LS10128 [0,2,0,0,0,0|1,0,1]=4 90 B12R1.8 c1ccc(cc1)COCCCBr LS10750 [0,2,0,0,0,0|1,0,0]=3 91 B12R1.8 c1ccc(cc1)COCCCO LS10749 [0,2,0,0,0,0|1,0,0]=3 92 B12R1.252 C[C@@H](COCc1ccccc1)O LS30228 [0,2,0,0,0,0|1,0,0]=3 93 B12R1.252 C[C@H](COCc1ccccc1)O LS30229 [0,2,0,0,0,0|1,0,0]=3 94 B12R1.252 c1ccc(cc1)CCCC(=O)O LS10686 [0,2,0,0,0,0|1,0,1]=4 95 B12R1.252 c1ccc(cc1)CNCC(=O)O LS40466 [0,2,0,0,0,0|2,0,0]=4 96 B12R1.252 c1ccc(cc1)COCC(=O)O LS10747 [0,2,0,0,0,0|2,0,0]=4 97 B10R2.7 c1cc2c(nc1)NCC2 LS40389 [1,0,0,1,0,0|1,0,0]=3 98 B10R2.7 c1ccc2c(c1)CC=C2 LS11754 [1,0,0,1,0,0|0,0,2]=4 99 B10R2.7 c1ccc2c(c1)CNC2 LS40329 [1,0,0,1,0,0|0,0,0]=2 100 B10R2.7 c1ccc2c(c1)OCO2 LS10418 [1,0,0,1,0,0|2,0,0]=4 101 B10R2.7 c1ccc2c(c1)cn[nH]2 LS20969 [1,0,0,1,0,0|1,0,1]=4 102 B12R2.24 c1c(cnc2c1CNCC2)Cl LS40870 [0,1,0,1,0,0|1,0,0]=3 103 B12R2.24 c1c(cnc2c1CNCC2)N LS40867 [0,1,0,1,0,0|1,0,0]=3 104 B12R2.24 c1c2c(nc(n1)Cl)CNCC2 LS20469 [0,1,0,1,0,0|2,0,0]=4 105 B12R2.24 c1cc(nc2c1CNCC2)Cl LS40852 [0,1,0,1,0,0|1,0,0]=3 106 B12R2.24 c1ccc2c(c1)CCC(=O)C2 LS41173 [0,1,0,1,0,0|1,0,0]=3 107 B12R2.2 c1ccc(cc1)[C@H]2CCNC2 LS30147 [0,1,0,1,0,0|0,0,0]=2 108 B12R2.1081 CC1c2ccccc2CCN1 LS21138 [0,1,0,1,0,0|0,0,0]=2 109 B12R2.1081 c1[nH]c(=O)c2c(n1)CNCC2 LS40866 [0,1,0,1,0,0|2,0,0]=4 110 B12R2.1081 c1cc2c(nc1)C(CCC2)N LS40643 [0,1,0,1,0,0|2,0,0]=4 111 B12R2.1081 c1cc2c(nc1)C(CCC2)O LS40150 [0,1,0,1,0,0|2,0,0]=4 112 B12R2.1081 c1ccc2c(c1)CCC[C@@H]2N LS30071 [0,1,0,1,0,0|1,0,0]=3 113 B12R2.196 c1cc2c(c(c1)O)CCC2=O LS40238 [0,1,0,1,0,0|2,0,0]=4 114 B12R2.612 CC1c2ccc(cc2CN1)Br LS40061 [0,1,0,1,0,0|2,0,0]=4 115 B12R2.612 c1cc2c(cc1Cl)CCC2=O LS00023 [0,1,0,1,0,0|2,0,0]=4 116 B12R2.612 c1cc2c(cc1F)CCC2=O LS20516 [0,1,0,1,0,0|2,0,0]=4 117 B12R2.612 c1cc2c(cc1O)CCC2=O LS40251 [0,1,0,1,0,0|2,0,0]=4 118 B12R2.2057 c1ccc(cc1)OC[C@@H]2CO2 LS30254 [0,1,0,1,0,0|1,0,0]=3 119 B12R2.2057 c1ccc(cc1)OC[C@H]2CO2 LS00142 [0,1,0,1,0,0|1,0,0]=3 120 B12R2.18 CC1Cc2ccccc2N1N LS20139 [0,1,0,1,0,0|1,0,0]=3 121 B12R2.18 c1ccc2c(c1)C[C@@H]([C@@H]2N)O LS00046 [0,1,0,1,0,0|2,0,0]=4 122 B8R1.8 CNCc1nccs1 LS21077 [1,0,0,0,1,0|2,0,0]=4 123 B8R1.8 c1cc(sc1)CCN LS21113 [1,0,0,0,1,0|1,0,0]=3 124 B8R1.8 c1cc(sc1)CCO LS21112 [1,0,0,0,1,0|2,0,0]=4 125 B8R1.8 c1cn(cn1)CCN LS20098 [1,0,0,0,1,0|2,0,0]=4