0 B10R1.15 CC(CN)c1ccccc1 LS10637 [0,0,0,0,0,0|0,0,0]=0 1 B10R1.15 CC(CN)c1ccccc1 LS10638 [0,0,0,0,0,0|0,0,0]=0 2 B10R1.15 CC[C@@H](c1ccccc1)N LS30125 [0,0,0,0,0,0|2,0,0]=2 3 B10R1.15 CC[C@H](c1ccccc1)N LS30175 [0,0,0,0,0,0|2,0,0]=2 4 B10R1.15 C[C@@H](CN)c1ccccc1 LS30174 [0,0,0,0,0,0|0,0,0]=0 5 B10R1.15 C[C@H](CN)c1ccccc1 LS30173 [0,0,0,0,0,0|0,0,0]=0 6 B10R1.15 c1ccc(cc1)C(=O)CBr LS11352 [0,0,0,0,0,0|2,0,1]=3 7 B10R1.15 c1ccc(cc1)C(=O)CCl LS11677 [0,0,0,0,0,0|2,0,1]=3 8 B10R1.15 c1ccc(cc1)C(=O)CO LS10613 [0,0,0,0,0,0|2,0,1]=3 9 B10R1.15 c1ccc(cc1)[C@@H](CO)N LS30212 [0,0,0,0,0,0|2,0,0]=2 10 B10R1.15 c1ccc(cc1)[C@@H](CO)O LS30263 [0,0,0,0,0,0|2,0,0]=2 11 B10R1.15 c1ccc(cc1)[C@H](CO)N LS30213 [0,0,0,0,0,0|2,0,0]=2 12 B10R1.15 c1ccc(cc1)[C@H](CO)O LS30264 [0,0,0,0,0,0|2,0,0]=2 13 B9R1.6 B(c1ccccc1)(O)O LS00011 [1,0,0,0,0,0|3,0,0]=4 14 B9R1.6 CC(=O)c1cccnc1 LS20960 [1,0,0,0,0,0|2,0,1]=4 15 B9R1.6 C[C@@H](c1ccccc1)N LS30171 [1,0,0,0,0,0|0,0,0]=1 16 B9R1.6 C[C@H](c1ccccc1)N LS30099 [1,0,0,0,0,0|0,0,0]=1 17 B9R1.6 c1cc(cnc1)C(=S)N LS40686 [1,0,0,0,0,0|2,0,1]=4 18 B9R1.6 c1ccc(cc1)C(=N)N LS10719 [1,0,0,0,0,0|1,0,1]=3 19 B9R1.6 c1ccc(cc1)C(=O)O LS41489 [1,0,0,0,0,0|2,0,1]=4 20 B9R1.6 c1ccc(cc1)C(=S)N LS10766 [1,0,0,0,0,0|1,0,1]=3 21 B9R1.6 c1ccnc(c1)C(=N)N LS21180 [1,0,0,0,0,0|2,0,1]=4 22 B9R1.8 CNNc1ccccc1 LS10173 [1,0,0,0,0,0|3,0,0]=4 23 B9R1.8 c1cc(cnc1)CC=O LS21221 [1,0,0,0,0,0|2,0,1]=4 24 B9R1.8 c1ccc(cc1)CCN LS10634 [1,0,0,0,0,0|0,0,0]=1 25 B9R1.8 c1ccc(cc1)CCN LS10635 [1,0,0,0,0,0|0,0,0]=1 26 B9R1.8 c1ccc(cc1)CNO LS11836 [1,0,0,0,0,0|2,0,0]=3 27 B9R1.8 c1ccc(cc1)CNO LS40338 [1,0,0,0,0,0|2,0,0]=3 28 B9R1.8 c1ccc(cc1)CON LS40003 [1,0,0,0,0,0|1,0,0]=2 29 B9R1.8 c1ccc(cc1)[Se]C#N LS11775 [1,0,0,0,0,0|1,0,2]=4 30 B9R1.8 c1ccnc(c1)CC#N LS20875 [1,0,0,0,0,0|1,0,2]=4 31 B9R1.8 c1cnccc1CCN LS21103 [1,0,0,0,0,0|1,0,0]=2 32 B11R1.12 CN[C@@H](CO)c1ccccc1 LS30211 [0,1,0,0,0,0|1,0,0]=2 33 B11R1.12 CN[C@H](CO)c1ccccc1 LS30210 [0,1,0,0,0,0|1,0,0]=2 34 B11R1.16 C[C@@H](c1ccccc1)N=C=O LS30276 [0,1,0,0,0,0|1,0,1]=3 35 B11R1.16 c1ccc(cc1)[C@@H](CCCl)O LS30119 [0,1,0,0,0,0|2,0,0]=3 36 B11R1.22 c1cc(ccc1C(=O)CN)Br LS11597 [0,1,0,0,0,0|1,0,1]=3 37 B11R1.22 c1cc(ccc1C(=O)NN)Cl LS11767 [0,1,0,0,0,0|2,0,1]=4 38 B11R1.22 c1cc(ccc1C(CN)O)O LS41256 [0,1,0,0,0,0|1,0,0]=2 39 B11R1.23 CCC(=O)c1cccc(c1)Cl LS41311 [0,1,0,0,0,0|2,0,1]=4 40 B11R1.23 c1cc(cc(c1)Cl)C(=O)CCl LS10356 [0,1,0,0,0,0|2,0,1]=4 41 B11R1.36 CC(C)[C@H](c1ccccc1)O LS30202 [0,1,0,0,0,0|2,0,0]=3 42 B11R1.36 CC(c1ccccc1)C(=O)O LS10633 [0,1,0,0,0,0|1,0,1]=3 43 B11R1.36 C[C@H](c1ccccc1)C(=O)O LS30098 [0,1,0,0,0,0|1,0,1]=3 44 B11R1.36 c1ccc(cc1)C(C(=O)O)O LS00073 [0,1,0,0,0,0|2,0,1]=4 45 B11R1.222 CCC(=O)c1ccccc1Cl LS11338 [0,1,0,0,0,0|2,0,1]=4 46 B11R1.222 Cc1ccccc1C(=O)CBr LS11319 [0,1,0,0,0,0|2,0,1]=4 47 B11R2.1 c1ccc2c(c1)CCC2N LS40652 [0,0,0,1,0,0|2,0,0]=3 48 B11R2.1 c1ccc2c(c1)CC[C@H]2N LS30488 [0,0,0,1,0,0|2,0,0]=3 49 B11R2.40 c1ccc(cc1)C2(CC2)N LS10606 [0,0,0,1,0,0|2,0,0]=3 50 B8R1.2 C#Cc1ccccc1 LS10701 [2,0,0,0,0,0|0,0,2]=4 51 B8R1.2 CNc1cccnc1 LS20470 [2,0,0,0,0,0|2,0,0]=4 52 B8R1.2 c1ccc(cc1)C=O LS41490 [2,0,0,0,0,0|1,0,1]=4 53 B8R1.2 c1ccc(cc1)CO LS41488 [2,0,0,0,0,0|1,0,0]=3 54 B8R1.2 c1cnc(cn1)CN LS20127 [2,0,0,0,0,0|2,0,0]=4 55 B8R1.2 c1cnc(cn1)CN LS20128 [2,0,0,0,0,0|2,0,0]=4 56 B8R1.2 c1cnccc1CN LS20857 [2,0,0,0,0,0|1,0,0]=3 57 B8R1.2 c1cnccc1NN LS20045 [2,0,0,0,0,0|2,0,0]=4 58 B10R1.13 CC(=O)c1ccc(cc1)Br LS11874 [1,1,0,0,0,0|1,0,1]=4 59 B10R1.13 CC(=O)c1ccc(cc1)F LS11575 [1,1,0,0,0,0|1,0,1]=4 60 B10R1.13 CC(=O)c1ccc(cc1)N LS10360 [1,1,0,0,0,0|1,0,1]=4 61 B10R1.13 CC(=O)c1ccc(cc1)O LS10359 [1,1,0,0,0,0|1,0,1]=4 62 B10R1.13 CN(C)c1ccc(cc1)Br LS10693 [1,1,0,0,0,0|1,0,0]=3 63 B10R1.13 CN(C)c1ccc(cc1)Cl LS10239 [1,1,0,0,0,0|1,0,0]=3 64 B10R1.13 c1cc(ccc1C(=N)N)Br LS00131 [1,1,0,0,0,0|1,0,1]=4 65 B10R1.28 CC(C)(c1ccccc1)O LS11531 [1,1,0,0,0,0|0,0,0]=2 66 B10R1.61 CC(=O)c1ccccc1N LS10731 [1,1,0,0,0,0|1,0,1]=4 67 B10R1.61 CC(=O)c1ccccc1O LS10607 [1,1,0,0,0,0|1,0,1]=4 68 B10R1.61 CN(C)c1ccccc1Br LS10558 [1,1,0,0,0,0|1,0,0]=3 69 B10R1.61 CN(C)c1ccccc1Cl LS10168 [1,1,0,0,0,0|1,0,0]=3 70 B10R1.61 CN(C)c1ccccc1F LS10242 [1,1,0,0,0,0|1,0,0]=3 71 B10R1.61 C[C@H](c1ccccc1Cl)O LS30121 [1,1,0,0,0,0|1,0,0]=3 72 B10R1.61 c1ccc(c(c1)C(=O)N)N LS11473 [1,1,0,0,0,0|1,0,1]=4 73 B10R1.113 CC(=O)c1cccc(c1)N LS11527 [1,1,0,0,0,0|1,0,1]=4 74 B10R1.113 CN(C)c1cccc(c1)O LS11214 [1,1,0,0,0,0|1,0,0]=3 75 B10R1.113 c1cc(cc(c1)Br)C(=N)N LS10543 [1,1,0,0,0,0|1,0,1]=4 76 B10R1.1 Cc1ccc(cc1)CCN LS11229 [1,1,0,0,0,0|0,0,0]=2 77 B10R1.1 Cc1ccc(cc1)CCO LS11239 [1,1,0,0,0,0|1,0,0]=3 78 B10R1.1 c1cc(ccc1CC#N)Cl LS11213 [1,1,0,0,0,0|0,0,2]=4 79 B10R1.1 c1cc(ccc1CCN)Br LS11228 [1,1,0,0,0,0|0,0,0]=2 80 B10R1.1 c1cc(ccc1CCN)Cl LS11230 [1,1,0,0,0,0|0,0,0]=2 81 B10R1.1 c1cc(ccc1CCN)N LS10602 [1,1,0,0,0,0|0,0,0]=2 82 B10R1.1 c1cc(ccc1CCN)O LS11714 [1,1,0,0,0,0|0,0,0]=2 83 B10R1.1 c1cc(ccc1CCO)Br LS11249 [1,1,0,0,0,0|1,0,0]=3 84 B10R1.1 c1cc(ccc1CCO)Cl LS11400 [1,1,0,0,0,0|1,0,0]=3 85 B10R1.1 c1cc(ccc1CCO)F LS11241 [1,1,0,0,0,0|1,0,0]=3 86 B10R1.4 C=CCc1ccccc1O LS11683 [1,1,0,0,0,0|1,0,1]=4 87 B10R1.4 CCOc1ccccc1Br LS10370 [1,1,0,0,0,0|2,0,0]=4 88 B10R1.4 Cc1ccccc1CCO LS11237 [1,1,0,0,0,0|1,0,0]=3 89 B10R1.4 c1ccc(c(c1)CCN)Br LS11226 [1,1,0,0,0,0|0,0,0]=2 90 B10R1.4 c1ccc(c(c1)CCN)Cl LS11231 [1,1,0,0,0,0|0,0,0]=2 91 B10R1.4 c1ccc(c(c1)CCO)Br LS11247 [1,1,0,0,0,0|1,0,0]=3 92 B10R1.4 c1ccc(c(c1)CCO)F LS11240 [1,1,0,0,0,0|1,0,0]=3 93 B10R1.4 c1ccc(c(c1)CNN)F LS10154 [1,1,0,0,0,0|1,0,0]=3 94 B10R1.10 Cc1cccc(c1)CCO LS11238 [1,1,0,0,0,0|1,0,0]=3 95 B10R1.10 c1cc(cc(c1)Br)CCN LS11227 [1,1,0,0,0,0|0,0,0]=2 96 B10R1.10 c1cc(cc(c1)Br)CCO LS11248 [1,1,0,0,0,0|1,0,0]=3 97 B10R1.10 c1cc(cc(c1)Cl)CCN LS11232 [1,1,0,0,0,0|0,0,0]=2 98 B10R1.10 c1cc(cc(c1)F)CC#N LS10556 [1,1,0,0,0,0|0,0,2]=4 99 B10R1.17 c1ccc(cc1)CN=C=S LS11773 [1,1,0,0,0,0|1,0,1]=4 100 B10R1.17 c1ccc(cc1)C[Se]C#N LS11776 [1,1,0,0,0,0|0,0,2]=4 101 B10R1.17 c1ccc(cc1)NCCN LS10740 [1,1,0,0,0,0|0,0,0]=2 102 B10R1.18 B(Cc1ccccc1)(O)O LS10783 [1,1,0,0,0,0|2,0,0]=4 103 B10R1.18 c1ccc(cc1)CC(=O)N LS11701 [1,1,0,0,0,0|0,0,1]=3 104 B12R1.43 CC(C(=O)O)Nc1ccccc1 LS10086 [0,1,0,0,0,1|1,0,1]=4 105 B12R1.243 COC(c1ccccc1I)OC LS10233 [0,2,0,0,0,0|2,0,0]=4 106 B12R1.16 CNCC(c1ccc(cc1)O)O LS41251 [0,2,0,0,0,0|1,0,0]=3 107 B12R1.107 c1ccc(cc1)C(CC(=O)O)N LS11551 [0,2,0,0,0,0|2,0,0]=4 108 B12R1.107 c1ccc(cc1)C(CC(=O)O)O LS11565 [0,2,0,0,0,0|2,0,0]=4 109 B12R1.107 c1ccc(cc1)[C@@H](CC(=O)O)N LS30112 [0,2,0,0,0,0|2,0,0]=4 110 B12R1.107 c1ccc(cc1)[C@H](CC(=O)O)N LS30295 [0,2,0,0,0,0|2,0,0]=4 111 B12R1.107 c1ccc(cc1)[C@H](CC(=O)O)N LS30296 [0,2,0,0,0,0|2,0,0]=4 112 B10R2.7 c1cc2c(nc1)NCC2 LS40389 [1,0,0,1,0,0|1,0,0]=3 113 B10R2.7 c1ccc2c(c1)CC=C2 LS11754 [1,0,0,1,0,0|1,0,1]=4 114 B10R2.7 c1ccc2c(c1)CNC2 LS40329 [1,0,0,1,0,0|2,0,0]=4 115 B10R2.7 c1ccc2c(c1)OCO2 LS10418 [1,0,0,1,0,0|2,0,0]=4 116 B10R2.7 c1ccc2c(c1)cn[nH]2 LS20969 [1,0,0,1,0,0|1,0,1]=4 117 B12R2.18 CC1Cc2ccccc2N1N LS20139 [0,0,0,1,0,1|1,0,0]=3 118 B12R2.18 c1ccc2c(c1)C[C@@H]([C@@H]2N)O LS00046 [0,0,0,1,0,1|1,0,0]=3 119 B12R2.48 c1ccc(cc1)C2(CC2)C#N LS11638 [0,1,0,1,0,0|0,0,2]=4 120 B12R2.1 c1ccc2c(c1)c(c[nH]2)CO LS20980 [0,1,0,1,0,0|0,0,2]=4 121 B12R2.2 c1ccc(cc1)[C@H]2CCNC2 LS30147 [0,1,0,1,0,0|0,0,0]=2 122 B12R2.1081 CC1c2ccccc2CCN1 LS21138 [0,1,0,1,0,0|1,0,0]=3 123 B12R2.1081 c1ccc2c(c1)CCC[C@@H]2N LS30071 [0,1,0,1,0,0|2,0,0]=4 124 B12R2.612 CC1c2ccc(cc2CN1)Br LS40061 [0,1,0,1,0,0|2,0,0]=4 125 B12R2.132 Cc1c2cc(ccc2[nH]n1)Br LS20149 [0,1,0,1,0,0|1,0,1]=4 126 B8R1.7 CC(C)c1c[nH]cn1 LS21206 [1,0,0,0,1,0|2,0,0]=4 127 B8R1.8 c1cc(sc1)CCN LS21113 [1,0,0,0,1,0|1,0,0]=3 128 B8R1.8 c1cc(sc1)CCO LS21112 [1,0,0,0,1,0|2,0,0]=4 129 B8R1.8 c1cn(cn1)CCN LS20098 [1,0,0,0,1,0|2,0,0]=4