0 B10R1.15 CC(CN)c1ccccc1 LS10637 [0,0,0,0,0,0|1,0,1]=2 1 B10R1.15 CC(CN)c1ccccc1 LS10638 [0,0,0,0,0,0|1,0,1]=2 2 B10R1.15 CC[C@@H](c1ccccc1)N LS30125 [0,0,0,0,0,0|2,0,1]=3 3 B10R1.15 CC[C@H](c1ccccc1)N LS30175 [0,0,0,0,0,0|2,0,1]=3 4 B10R1.15 C[C@@H](CN)c1ccccc1 LS30174 [0,0,0,0,0,0|1,0,1]=2 5 B10R1.15 C[C@H](CN)c1ccccc1 LS30173 [0,0,0,0,0,0|1,0,1]=2 6 B10R1.15 c1ccc(cc1)C(=O)CBr LS11352 [0,0,0,0,0,0|2,0,2]=4 7 B10R1.15 c1ccc(cc1)C(=O)CCl LS11677 [0,0,0,0,0,0|2,0,2]=4 8 B10R1.15 c1ccc(cc1)C(=O)CO LS10613 [0,0,0,0,0,0|1,0,3]=4 9 B10R1.15 c1ccc(cc1)[C@@H](CO)N LS30212 [0,0,0,0,0,0|1,0,2]=3 10 B10R1.15 c1ccc(cc1)[C@@H](CO)O LS30263 [0,0,0,0,0,0|1,0,2]=3 11 B10R1.15 c1ccc(cc1)[C@H](CO)N LS30213 [0,0,0,0,0,0|1,0,2]=3 12 B10R1.15 c1ccc(cc1)[C@H](CO)O LS30264 [0,0,0,0,0,0|1,0,2]=3 13 B9R1.6 B(c1ccccc1)(O)O LS00011 [1,0,0,0,0,0|2,0,1]=4 14 B9R1.6 CC(=O)c1cccnc1 LS20960 [1,0,0,0,0,0|1,0,1]=3 15 B9R1.6 C[C@@H](c1ccccc1)N LS30171 [1,0,0,0,0,0|1,0,0]=2 16 B9R1.6 C[C@H](c1ccccc1)N LS30099 [1,0,0,0,0,0|1,0,0]=2 17 B9R1.6 c1ccc(cc1)C(=N)N LS10719 [1,0,0,0,0,0|2,0,1]=4 18 B9R1.6 c1ccc(cc1)C(=O)O LS41489 [1,0,0,0,0,0|1,0,1]=3 19 B9R1.6 c1ccc(cc1)C(=S)N LS10766 [1,0,0,0,0,0|1,1,1]=4 20 B9R1.8 CNNc1ccccc1 LS10173 [1,0,0,0,0,0|3,0,0]=4 21 B9R1.8 c1cc(cnc1)CC=O LS21221 [1,0,0,0,0,0|1,0,0]=2 22 B9R1.8 c1ccc(cc1)CCN LS10634 [1,0,0,0,0,0|1,0,1]=3 23 B9R1.8 c1ccc(cc1)CCN LS10635 [1,0,0,0,0,0|1,0,1]=3 24 B9R1.8 c1ccc(cc1)CNO LS11836 [1,0,0,0,0,0|1,0,1]=3 25 B9R1.8 c1ccc(cc1)CNO LS40338 [1,0,0,0,0,0|1,0,1]=3 26 B9R1.8 c1ccc(cc1)CON LS40003 [1,0,0,0,0,0|2,0,0]=3 27 B9R1.8 c1ccc(cc1)[Se]C#N LS11775 [1,0,0,0,0,0|2,0,1]=4 28 B9R1.8 c1ccnc(c1)CC#N LS20875 [1,0,0,0,0,0|2,0,1]=4 29 B9R1.8 c1cnccc1CCN LS21103 [1,0,0,0,0,0|2,0,1]=4 30 B11R1.7 C=CS(=O)(=O)c1ccccc1 LS11432 [0,1,0,0,0,0|3,0,0]=4 31 B11R1.12 CN[C@@H](CO)c1ccccc1 LS30211 [0,1,0,0,0,0|0,0,2]=3 32 B11R1.12 CN[C@H](CO)c1ccccc1 LS30210 [0,1,0,0,0,0|0,0,2]=3 33 B11R1.16 C[C@@H](c1ccccc1)N=C=O LS30276 [0,1,0,0,0,0|0,0,1]=2 34 B11R1.16 c1ccc(cc1)[C@@H](CCCl)O LS30119 [0,1,0,0,0,0|2,0,1]=4 35 B11R1.22 c1cc(ccc1C(CN)O)O LS41256 [0,1,0,0,0,0|2,0,1]=4 36 B11R1.36 CC(C)[C@H](c1ccccc1)O LS30202 [0,1,0,0,0,0|2,0,1]=4 37 B11R1.36 CC(c1ccccc1)C(=O)O LS10633 [0,1,0,0,0,0|0,0,0]=1 38 B11R1.36 C[C@H](c1ccccc1)C(=O)O LS30098 [0,1,0,0,0,0|0,0,0]=1 39 B11R1.36 c1ccc(cc1)C(C(=O)O)O LS00073 [0,1,0,0,0,0|1,0,0]=2 40 B11R2.1 c1ccc2c(c1)CCC2N LS40652 [0,0,0,1,0,0|2,0,1]=4 41 B11R2.1 c1ccc2c(c1)CC[C@H]2N LS30488 [0,0,0,1,0,0|2,0,1]=4 42 B11R2.40 c1ccc(cc1)C2(CC2)N LS10606 [0,0,0,1,0,0|2,0,1]=4 43 B8R1.2 C#Cc1ccccc1 LS10701 [2,0,0,0,0,0|0,0,2]=4 44 B8R1.2 CNc1cccnc1 LS20470 [2,0,0,0,0,0|2,0,0]=4 45 B8R1.2 c1cc(cnc1)C=O LS20485 [2,0,0,0,0,0|1,0,0]=3 46 B8R1.2 c1ccc(cc1)C=O LS41490 [2,0,0,0,0,0|0,0,0]=2 47 B8R1.2 c1ccc(cc1)CO LS41488 [2,0,0,0,0,0|0,0,1]=3 48 B8R1.2 c1cnccc1C=O LS20943 [2,0,0,0,0,0|1,0,0]=3 49 B8R1.2 c1cnccc1CN LS20857 [2,0,0,0,0,0|2,0,0]=4 50 B10R1.13 CC(=O)c1ccc(cc1)Br LS11874 [1,1,0,0,0,0|0,0,1]=3 51 B10R1.13 CC(=O)c1ccc(cc1)F LS11575 [1,1,0,0,0,0|0,0,1]=3 52 B10R1.13 CC(=O)c1ccc(cc1)N LS10360 [1,1,0,0,0,0|0,0,1]=3 53 B10R1.13 CC(=O)c1ccc(cc1)O LS10359 [1,1,0,0,0,0|0,0,1]=3 54 B10R1.13 CC(=O)c1ccc(cn1)Br LS20859 [1,1,0,0,0,0|1,0,1]=4 55 B10R1.13 CC(=O)c1ccc(nc1)Br LS21178 [1,1,0,0,0,0|1,0,1]=4 56 B10R1.13 CN(C)c1ccc(cc1)Br LS10693 [1,1,0,0,0,0|1,0,1]=4 57 B10R1.13 CN(C)c1ccc(cc1)Cl LS10239 [1,1,0,0,0,0|1,0,1]=4 58 B10R1.13 c1cc(ccc1C(=O)Cl)N LS11728 [1,1,0,0,0,0|1,0,1]=4 59 B10R1.13 c1cc(ccc1C(=O)O)Cl LS10674 [1,1,0,0,0,0|1,0,1]=4 60 B10R1.13 c1cc(ccc1N)[N+](=O)[O-] LS10622 [1,1,0,0,0,0|2,0,0]=4 61 B10R1.13 c1cc(ccc1[N+](=O)[O-])Cl LS10621 [1,1,0,0,0,0|2,0,0]=4 62 B10R1.28 CC(C)(c1ccccc1)O LS11531 [1,1,0,0,0,0|0,0,1]=3 63 B10R1.28 c1ccc(cc1)P(=O)(Cl)Cl LS40262 [1,1,0,0,0,0|2,0,0]=4 64 B10R1.28 c1ccc(cc1)S(=O)(=O)O LS10672 [1,1,0,0,0,0|2,0,0]=4 65 B10R1.28 c1ccc(cc1)S(=O)(=O)[O-] LS40553 [1,1,0,0,0,0|2,0,0]=4 66 B10R1.61 CC(=O)c1ccccc1N LS10731 [1,1,0,0,0,0|0,0,1]=3 67 B10R1.61 CC(=O)c1ccccc1O LS10607 [1,1,0,0,0,0|0,0,1]=3 68 B10R1.61 CC(=O)c1cccnc1Cl LS20570 [1,1,0,0,0,0|1,0,1]=4 69 B10R1.61 CN(C)c1ccccc1Br LS10558 [1,1,0,0,0,0|1,0,1]=4 70 B10R1.61 CN(C)c1ccccc1Cl LS10168 [1,1,0,0,0,0|1,0,1]=4 71 B10R1.61 CN(C)c1ccccc1F LS10242 [1,1,0,0,0,0|1,0,1]=4 72 B10R1.61 C[C@H](c1ccccc1Cl)O LS30121 [1,1,0,0,0,0|0,0,1]=3 73 B10R1.61 Cc1ccccc1C(=O)O LS10119 [1,1,0,0,0,0|1,0,1]=4 74 B10R1.61 c1ccc(c(c1)C(=O)N)N LS11473 [1,1,0,0,0,0|1,0,1]=4 75 B10R1.61 c1ccc(c(c1)C(=O)O)Br LS10336 [1,1,0,0,0,0|1,0,1]=4 76 B10R1.61 c1ccc(c(c1)C(=O)O)Cl LS10675 [1,1,0,0,0,0|1,0,1]=4 77 B10R1.61 c1ccc(c(c1)C(=O)O)I LS00003 [1,1,0,0,0,0|1,0,1]=4 78 B10R1.61 c1ccc(c(c1)N)[N+](=O)[O-] LS11572 [1,1,0,0,0,0|2,0,0]=4 79 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])Br LS11477 [1,1,0,0,0,0|2,0,0]=4 80 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])I LS11476 [1,1,0,0,0,0|2,0,0]=4 81 B10R1.113 CC(=O)c1cccc(c1)N LS11527 [1,1,0,0,0,0|0,0,1]=3 82 B10R1.113 CC(=O)c1cccc(n1)Br LS20488 [1,1,0,0,0,0|1,0,1]=4 83 B10R1.113 CN(C)c1cccc(c1)O LS11214 [1,1,0,0,0,0|1,0,1]=4 84 B10R1.113 Cc1ccnc(c1)C(=O)C LS21177 [1,1,0,0,0,0|1,0,1]=4 85 B10R1.113 c1cc(cc(c1)O)[N+](=O)[O-] LS11800 [1,1,0,0,0,0|2,0,0]=4 86 B10R1.1 Cc1ccc(cc1)CCN LS11229 [1,1,0,0,0,0|1,0,1]=4 87 B10R1.1 Cc1ccc(cc1)CCO LS11239 [1,1,0,0,0,0|0,0,2]=4 88 B10R1.1 c1cc(ccc1CC#N)Cl LS11213 [1,1,0,0,0,0|1,0,1]=4 89 B10R1.1 c1cc(ccc1CCN)Br LS11228 [1,1,0,0,0,0|1,0,1]=4 90 B10R1.1 c1cc(ccc1CCN)Cl LS11230 [1,1,0,0,0,0|1,0,1]=4 91 B10R1.1 c1cc(ccc1CCN)N LS10602 [1,1,0,0,0,0|1,0,1]=4 92 B10R1.1 c1cc(ccc1CCN)O LS11714 [1,1,0,0,0,0|1,0,1]=4 93 B10R1.1 c1cc(ccc1CCO)Br LS11249 [1,1,0,0,0,0|0,0,2]=4 94 B10R1.1 c1cc(ccc1CCO)Cl LS11400 [1,1,0,0,0,0|0,0,2]=4 95 B10R1.1 c1cc(ccc1CCO)F LS11241 [1,1,0,0,0,0|0,0,2]=4 96 B10R1.4 C=CCc1ccccc1O LS11683 [1,1,0,0,0,0|1,0,0]=3 97 B10R1.4 Cc1ccccc1CCO LS11237 [1,1,0,0,0,0|0,0,2]=4 98 B10R1.4 c1ccc(c(c1)CCN)Br LS11226 [1,1,0,0,0,0|1,0,1]=4 99 B10R1.4 c1ccc(c(c1)CCN)Cl LS11231 [1,1,0,0,0,0|1,0,1]=4 100 B10R1.4 c1ccc(c(c1)CCO)Br LS11247 [1,1,0,0,0,0|0,0,2]=4 101 B10R1.4 c1ccc(c(c1)CCO)F LS11240 [1,1,0,0,0,0|0,0,2]=4 102 B10R1.4 c1ccc(c(c1)CNN)F LS10154 [1,1,0,0,0,0|2,0,0]=4 103 B10R1.10 Cc1cccc(c1)CCO LS11238 [1,1,0,0,0,0|0,0,2]=4 104 B10R1.10 c1cc(cc(c1)Br)CCN LS11227 [1,1,0,0,0,0|1,0,1]=4 105 B10R1.10 c1cc(cc(c1)Br)CCO LS11248 [1,1,0,0,0,0|0,0,2]=4 106 B10R1.10 c1cc(cc(c1)Cl)CCN LS11232 [1,1,0,0,0,0|1,0,1]=4 107 B10R1.10 c1cc(cc(c1)F)CC#N LS10556 [1,1,0,0,0,0|1,0,1]=4 108 B10R1.17 c1ccc(cc1)C#CC=O LS11729 [1,1,0,0,0,0|0,0,1]=3 109 B10R1.17 c1ccc(cc1)CN=C=S LS11773 [1,1,0,0,0,0|0,1,1]=4 110 B10R1.17 c1ccc(cc1)C[Se]C#N LS11776 [1,1,0,0,0,0|1,0,1]=4 111 B10R1.17 c1ccc(cc1)NCCN LS10740 [1,1,0,0,0,0|1,0,1]=4 112 B10R1.18 B(Cc1ccccc1)(O)O LS10783 [1,1,0,0,0,0|1,0,1]=4 113 B10R1.18 CC(=O)Cc1ccncc1 LS00130 [1,1,0,0,0,0|1,0,0]=3 114 B10R1.18 c1ccc(cc1)CC(=O)N LS11701 [1,1,0,0,0,0|0,0,0]=2 115 B12R1.43 CC(C(=O)O)Nc1ccccc1 LS10086 [0,1,0,0,0,1|0,0,0]=2 116 B12R1.43 C\C(=C/c1ccccc1)\[N+](=O)[O-] LS11815 [0,1,0,0,0,1|1,0,1]=4 117 B12R1.243 COC(c1ccccc1I)OC LS10233 [0,2,0,0,0,0|2,0,0]=4 118 B12R1.107 c1ccc(cc1)C(CC(=O)O)N LS11551 [0,2,0,0,0,0|1,0,0]=3 119 B12R1.107 c1ccc(cc1)C(CC(=O)O)O LS11565 [0,2,0,0,0,0|1,0,0]=3 120 B12R1.107 c1ccc(cc1)[C@@H](CC(=O)O)N LS30112 [0,2,0,0,0,0|1,0,0]=3 121 B12R1.107 c1ccc(cc1)[C@H](CC(=O)O)N LS30295 [0,2,0,0,0,0|1,0,0]=3 122 B12R1.107 c1ccc(cc1)[C@H](CC(=O)O)N LS30296 [0,2,0,0,0,0|1,0,0]=3 123 B12R1.124 c1ccc(c(c1)[C@@H](C(=O)O)N)Cl LS30118 [0,2,0,0,0,0|1,0,0]=3 124 B10R2.7 c1ccc2c(c1)CC=C2 LS11754 [1,0,0,1,0,0|1,0,0]=3 125 B10R2.7 c1ccc2c(c1)CNC2 LS40329 [1,0,0,1,0,0|2,0,0]=4 126 B10R2.7 c1ccc2c(c1)ccs2 LS40109 [1,0,0,1,0,0|0,1,1]=4 127 B12R2.18 CC1Cc2ccccc2N1N LS20139 [0,0,0,1,0,1|2,0,0]=4 128 B12R2.18 c1ccc2c(c1)C(=O)C(=O)N2 LS21014 [0,0,0,1,0,1|1,0,1]=4 129 B12R2.24 Cc1ccc2ccccc2n1 LS20882 [0,0,0,1,0,1|1,0,1]=4 130 B12R2.48 c1ccc(cc1)C2(CC2)C#N LS11638 [0,1,0,1,0,0|1,0,1]=4 131 B12R2.1 c1ccc2c(c1)c(c[nH]2)CO LS20980 [0,1,0,1,0,0|1,0,1]=4 132 B12R2.1 c1ccc2c(c1)c(n[nH]2)C=O LS21172 [0,1,0,1,0,0|1,0,1]=4 133 B12R2.2 c1ccc(cc1)[C@H]2CCNC2 LS30147 [0,1,0,1,0,0|1,0,1]=4 134 B12R2.1081 CC1c2ccccc2CCN1 LS21138 [0,1,0,1,0,0|1,0,1]=4 135 B12R2.2028 c1ccc2c(c1)C(OC2=O)Br LS40549 [0,1,0,1,0,0|1,0,0]=3 136 B12R2.612 CC1c2ccc(cc2CN1)Br LS40061 [0,1,0,1,0,0|2,0,0]=4 137 B8R1.7 CC(=O)c1cccs1 LS20643 [1,0,0,0,1,0|1,0,1]=4 138 B8R1.7 CC(=O)c1ccsc1 LS20391 [1,0,0,0,1,0|1,0,1]=4