0 B11R1.182 CCNc1cc(ccc1C)O L12768 [0,0,0,0,0,0|3,0,0]=3 1 B11R1.182 CCOc1cc(ccc1Br)N B24827 [0,0,0,0,0,0|4,0,0]=4 2 B11R1.182 CCOc1cc(ccc1O)C L08898 [0,0,0,0,0,0|3,0,0]=3 3 B11R1.182 Cc1ccc(c(c1)CC#N)C L01942 [0,0,0,0,0,0|0,0,2]=2 4 B11R1.182 Cc1ccc(c(c1)N=C=O)C L15999 [0,0,0,0,0,0|2,0,1]=3 5 B11R1.182 Cc1ccc(cc1N=C=O)Cl L11567 [0,0,0,0,0,0|3,0,1]=4 6 B11R1.182 Cc1ccc(cc1N=C=S)Cl A19328 [0,0,0,0,0,0|3,0,1]=4 7 B11R1.182 c1cc(c(cc1Br)CC#N)F H62213 [0,0,0,0,0,0|2,0,2]=4 8 B11R1.182 c1cc(c(cc1F)CC#N)F B20246 [0,0,0,0,0,0|2,0,2]=4 9 B11R1.182 c1cc(c(cc1F)CCO)F H32082 [0,0,0,0,0,0|3,0,0]=3 10 B10R1.4 C=CCc1ccccc1O A10755 [1,0,0,0,0,0|2,0,1]=4 11 B10R1.4 CCCc1c(nccn1)C B22013 [1,0,0,0,0,0|3,0,0]=4 12 B10R1.4 CCCc1ccccc1O A11088 [1,0,0,0,0,0|2,0,0]=3 13 B10R1.4 CCNc1ccccc1C A11315 [1,0,0,0,0,0|2,0,0]=3 14 B10R1.4 CCOc1ccccc1O B24755 [1,0,0,0,0,0|3,0,0]=4 15 B10R1.4 CNCc1ccccc1Br H63390 [1,0,0,0,0,0|3,0,0]=4 16 B10R1.4 CNCc1ccccc1Cl H54680 [1,0,0,0,0,0|3,0,0]=4 17 B10R1.4 CNCc1ccccc1F H54439 [1,0,0,0,0,0|3,0,0]=4 18 B10R1.4 Cc1ccccc1CC#N A14787 [1,0,0,0,0,0|0,0,2]=3 19 B10R1.4 Cc1ccccc1CCN H28320 [1,0,0,0,0,0|0,0,0]=1 20 B10R1.4 Cc1ccccc1CNC H63956 [1,0,0,0,0,0|2,0,0]=3 21 B10R1.4 Cc1ccccc1N=C=O L12247 [1,0,0,0,0,0|2,0,1]=4 22 B10R1.4 Cc1ccccc1N=C=S B22845 [1,0,0,0,0,0|2,0,1]=4 23 B10R1.4 Cc1ccccc1NC=O B25134 [1,0,0,0,0,0|2,0,1]=4 24 B10R1.4 c1ccc(c(c1)CC#N)Br A17548 [1,0,0,0,0,0|1,0,2]=4 25 B10R1.4 c1ccc(c(c1)CC#N)Cl A13176 [1,0,0,0,0,0|1,0,2]=4 26 B10R1.4 c1ccc(c(c1)CC#N)F A11612 [1,0,0,0,0,0|1,0,2]=4 27 B10R1.4 c1ccc(c(c1)CC#N)I L12767 [1,0,0,0,0,0|1,0,2]=4 28 B10R1.4 c1ccc(c(c1)CC#N)N H66243 [1,0,0,0,0,0|1,0,2]=4 29 B10R1.4 c1ccc(c(c1)CCN)Br H60739 [1,0,0,0,0,0|1,0,0]=2 30 B10R1.4 c1ccc(c(c1)CCO)F L19998 [1,0,0,0,0,0|2,0,0]=3 31 B10R1.4 c1ccc(c(c1)\C=N\N)O B22878 [1,0,0,0,0,0|2,0,1]=4 32 B10R1.10 CCCc1cccc(c1)O B21266 [1,0,0,0,0,0|2,0,0]=3 33 B10R1.10 CCOc1cccc(c1)Br B21418 [1,0,0,0,0,0|3,0,0]=4 34 B10R1.10 CCOc1cccc(c1)O B24266 [1,0,0,0,0,0|3,0,0]=4 35 B10R1.10 CNCc1cccc(c1)Br H54294 [1,0,0,0,0,0|3,0,0]=4 36 B10R1.10 CNCc1cccc(c1)Cl H54986 [1,0,0,0,0,0|3,0,0]=4 37 B10R1.10 CNCc1cccc(c1)F H56177 [1,0,0,0,0,0|3,0,0]=4 38 B10R1.10 Cc1cccc(c1)CC#N A10558 [1,0,0,0,0,0|0,0,2]=3 39 B10R1.10 Cc1cccc(c1)CNC H63231 [1,0,0,0,0,0|2,0,0]=3 40 B10R1.10 Cc1cccc(c1)N=C=O L15255 [1,0,0,0,0,0|2,0,1]=4 41 B10R1.10 Cc1cccc(c1)N=C=S A17345 [1,0,0,0,0,0|2,0,1]=4 42 B10R1.10 Cc1cccc(c1)NC=O B24061 [1,0,0,0,0,0|2,0,1]=4 43 B10R1.10 c1cc(cc(c1)Br)CC#N B20189 [1,0,0,0,0,0|1,0,2]=4 44 B10R1.10 c1cc(cc(c1)Cl)CC#N A15673 [1,0,0,0,0,0|1,0,2]=4 45 B10R1.10 c1cc(cc(c1)F)CC#N A12737 [1,0,0,0,0,0|1,0,2]=4 46 B10R1.10 c1cc(cc(c1)F)CCN H64762 [1,0,0,0,0,0|1,0,0]=2 47 B10R1.10 c1cc(cc(c1)I)CC#N L15118 [1,0,0,0,0,0|1,0,2]=4 48 B10R1.30 CCc1cc(ccc1Br)Br B25446 [1,0,0,0,0,0|2,0,0]=3 49 B10R1.30 CCc1cc(ccc1Cl)Br B25613 [1,0,0,0,0,0|2,0,0]=3 50 B10R1.30 CCc1cc(ccc1I)Br B20052 [1,0,0,0,0,0|2,0,0]=3 51 B10R1.30 CCc1cc(ccc1N)Br A13077 [1,0,0,0,0,0|2,0,0]=3 52 B10R1.30 CCc1cc(ccc1N)Br L12725 [1,0,0,0,0,0|2,0,0]=3 53 B10R1.30 COc1cc(ccc1Br)Cl B25512 [1,0,0,0,0,0|3,0,0]=4 54 B10R1.30 COc1cc(ccc1Br)F H26325 [1,0,0,0,0,0|3,0,0]=4 55 B10R1.30 COc1cc(ccc1Br)N B25541 [1,0,0,0,0,0|3,0,0]=4 56 B10R1.30 COc1cc(ccc1Br)O H28116 [1,0,0,0,0,0|3,0,0]=4 57 B10R1.30 COc1cc(ccc1Cl)Br H55533 [1,0,0,0,0,0|3,0,0]=4 58 B10R1.30 COc1cc(ccc1Cl)Cl L13497 [1,0,0,0,0,0|3,0,0]=4 59 B10R1.30 COc1cc(ccc1Cl)N H28331 [1,0,0,0,0,0|3,0,0]=4 60 B10R1.30 COc1cc(ccc1F)Br H61892 [1,0,0,0,0,0|3,0,0]=4 61 B10R1.30 COc1cc(ccc1F)F A14255 [1,0,0,0,0,0|3,0,0]=4 62 B10R1.30 COc1cc(ccc1N)Br H61454 [1,0,0,0,0,0|3,0,0]=4 63 B10R1.30 COc1cc(ccc1N)F H61965 [1,0,0,0,0,0|3,0,0]=4 64 B10R1.30 COc1cc(ccc1O)Br L08801 [1,0,0,0,0,0|3,0,0]=4 65 B10R1.30 COc1cc(ccc1O)Cl A14806 [1,0,0,0,0,0|3,0,0]=4 66 B10R1.30 COc1cc(ccc1O)F B22211 [1,0,0,0,0,0|3,0,0]=4 67 B10R1.30 COc1cc(ccc1O)O A12847 [1,0,0,0,0,0|3,0,0]=4 68 B10R1.30 Cc1ccc(c(c1)C#N)Br H61628 [1,0,0,0,0,0|1,0,2]=4 69 B10R1.30 Cc1ccc(c(c1)C#N)F H26166 [1,0,0,0,0,0|1,0,2]=4 70 B10R1.30 Cc1ccc(c(c1)C#N)N H66481 [1,0,0,0,0,0|1,0,2]=4 71 B10R1.30 Cc1ccc(c(c1)C=C)C B21476 [1,0,0,0,0,0|0,0,2]=3 72 B10R1.30 Cc1ccc(c(c1)C=O)C L01924 [1,0,0,0,0,0|1,0,1]=3 73 B10R1.30 Cc1ccc(c(c1)C=O)F H26661 [1,0,0,0,0,0|2,0,1]=4 74 B10R1.30 Cc1ccc(c(c1)CBr)F H26871 [1,0,0,0,0,0|2,0,0]=3 75 B10R1.30 Cc1ccc(c(c1)CCl)C L01303 [1,0,0,0,0,0|1,0,0]=2 76 B10R1.30 Cc1ccc(c(c1)CN)F H26652 [1,0,0,0,0,0|1,0,0]=2 77 B10R1.30 Cc1ccc(c(c1)CO)C L01624 [1,0,0,0,0,0|1,0,0]=2 78 B10R1.30 Cc1ccc(c(c1)NN)C L12496 [1,0,0,0,0,0|1,0,0]=2 79 B10R1.30 Cc1ccc(c(c1)OC)C B20456 [1,0,0,0,0,0|1,0,0]=2 80 B10R1.30 Cc1ccc(c(c1)OC)F L18182 [1,0,0,0,0,0|2,0,0]=3 81 B10R1.30 Cc1ccc(c(c1)OC)O A13603 [1,0,0,0,0,0|2,0,0]=3 82 B10R1.30 Cc1ccc(c(n1)OC)F H64683 [1,0,0,0,0,0|3,0,0]=4 83 B10R1.30 Cc1ccc(c(n1)OC)N H61310 [1,0,0,0,0,0|3,0,0]=4 84 B10R1.30 Cc1ccc(cc1C#N)F A13061 [1,0,0,0,0,0|1,0,2]=4 85 B10R1.30 Cc1ccc(cc1C#N)N H61422 [1,0,0,0,0,0|1,0,2]=4 86 B10R1.30 Cc1ccc(cc1C=O)F H26799 [1,0,0,0,0,0|2,0,1]=4 87 B10R1.30 Cc1ccc(cc1CBr)F H26853 [1,0,0,0,0,0|2,0,0]=3 88 B10R1.30 Cc1ccc(cc1CCl)F H32355 [1,0,0,0,0,0|2,0,0]=3 89 B10R1.30 Cc1ccc(cc1CN)F H26613 [1,0,0,0,0,0|1,0,0]=2 90 B10R1.30 Cc1ccc(cc1CO)F H32648 [1,0,0,0,0,0|2,0,0]=3 91 B10R1.30 Cc1ccc(cc1NN)F L09362 [1,0,0,0,0,0|2,0,0]=3 92 B10R1.30 Cc1ccc(cc1OC)Br H30391 [1,0,0,0,0,0|2,0,0]=3 93 B10R1.30 Cc1ccc(cc1OC)F B25629 [1,0,0,0,0,0|2,0,0]=3 94 B10R1.30 Cc1ccc(cc1OC)N H50362 [1,0,0,0,0,0|2,0,0]=3 95 B10R1.30 c1cc(c(cc1Br)CN)F B25176 [1,0,0,0,0,0|2,0,0]=3 96 B10R1.30 c1cc(c(cc1Br)CO)O A12344 [1,0,0,0,0,0|3,0,0]=4 97 B10R1.30 c1cc(c(cc1Cl)CBr)Cl L13775 [1,0,0,0,0,0|3,0,0]=4 98 B10R1.30 c1cc(c(cc1Cl)CBr)F L19147 [1,0,0,0,0,0|3,0,0]=4 99 B10R1.30 c1cc(c(cc1Cl)CCl)Cl L07506 [1,0,0,0,0,0|3,0,0]=4 100 B10R1.30 c1cc(c(cc1Cl)CN)Cl L11972 [1,0,0,0,0,0|2,0,0]=3 101 B10R1.30 c1cc(c(cc1Cl)CN)F L19145 [1,0,0,0,0,0|2,0,0]=3 102 B10R1.30 c1cc(c(cc1Cl)CO)Cl L07734 [1,0,0,0,0,0|3,0,0]=4 103 B10R1.30 c1cc(c(cc1Cl)CO)N H30531 [1,0,0,0,0,0|3,0,0]=4 104 B10R1.30 c1cc(c(cc1Cl)CO)O H32533 [1,0,0,0,0,0|3,0,0]=4 105 B10R1.30 c1cc(c(cc1Cl)C[Mg+])Cl H54707 [1,0,0,0,0,0|3,0,0]=4 106 B10R1.30 c1cc(c(cc1Cl)NN)Cl A15279 [1,0,0,0,0,0|3,0,0]=4 107 B10R1.30 c1cc(c(cc1Cl)NN)Cl L06708 [1,0,0,0,0,0|3,0,0]=4 108 B10R1.30 c1cc(c(cc1F)CBr)Br L09553 [1,0,0,0,0,0|3,0,0]=4 109 B10R1.30 c1cc(c(cc1F)CBr)Cl H61259 [1,0,0,0,0,0|3,0,0]=4 110 B10R1.30 c1cc(c(cc1F)CBr)F B20752 [1,0,0,0,0,0|3,0,0]=4 111 B10R1.30 c1cc(c(cc1F)CCl)F H26735 [1,0,0,0,0,0|3,0,0]=4 112 B10R1.30 c1cc(c(cc1F)CN)Cl H26810 [1,0,0,0,0,0|2,0,0]=3 113 B10R1.30 c1cc(c(cc1F)CN)F A16530 [1,0,0,0,0,0|2,0,0]=3 114 B10R1.30 c1cc(c(cc1F)CO)Br H61596 [1,0,0,0,0,0|3,0,0]=4 115 B10R1.30 c1cc(c(cc1F)CO)Cl B24431 [1,0,0,0,0,0|3,0,0]=4 116 B10R1.30 c1cc(c(cc1F)CO)F A19932 [1,0,0,0,0,0|3,0,0]=4 117 B10R1.30 c1cc(c(cc1F)C[Mg+])F H54749 [1,0,0,0,0,0|3,0,0]=4 118 B10R1.30 c1cc(c(cc1F)C[Zn+])F H58867 [1,0,0,0,0,0|3,0,0]=4 119 B10R1.30 c1cc(c(cc1F)NN)F B21259 [1,0,0,0,0,0|3,0,0]=4 120 B10R1.30 c1cc(c(cc1F)NN)F L10359 [1,0,0,0,0,0|3,0,0]=4 121 B12R1.127 Cc1ccc(c(c1)CC(=O)O)C L02022 [0,1,0,0,0,0|1,0,1]=3 122 B12R1.127 Cc1ccc(c(c1)CC(=O)O)F H26482 [0,1,0,0,0,0|2,0,1]=4 123 B12R1.127 Cc1ccc(cc1CC(=O)O)F H26390 [0,1,0,0,0,0|2,0,1]=4 124 B12R1.127 Cc1ccc(cc1NC(=S)N)F B20423 [0,1,0,0,0,0|2,0,1]=4 125 B12R1.268 COc1ccc(cc1CC#N)F H31709 [0,1,0,0,0,0|1,0,2]=4 126 B12R1.268 COc1ccc(cc1CCN)Br L19875 [0,1,0,0,0,0|1,0,0]=2 127 B12R1.268 Cc1ccc(c(c1)N=C=O)OC L16001 [0,1,0,0,0,0|2,0,1]=4 128 B12R1.268 Cc1ccc(c(c1)N=C=S)OC L11085 [0,1,0,0,0,0|2,0,1]=4 129 B12R1.497 Cc1ccc(c(c1Br)CC#N)F H52315 [0,1,0,0,0,0|1,0,2]=4 130 B12R1.1123 c1c(c(cc(c1F)F)F)CCO H32686 [0,1,0,0,0,0|3,0,0]=4 131 B12R2.24 Cc1ccc2c(c1)CCCN2 A15245 [0,0,0,1,0,0|2,0,0]=3 132 B12R2.24 Cc1ccc2c(n1)NCCC2 H34168 [0,0,0,1,0,0|3,0,0]=4 133 B12R2.24 c1cc2c(cc1Br)CCNC2 H63527 [0,0,0,1,0,0|1,0,0]=2 134 B12R2.24 c1cc2c(cc1Br)CNCC2 B25712 [0,0,0,1,0,0|3,0,0]=4 135 B12R2.24 c1cc2c(cc1Br)CNCC2 H63278 [0,0,0,1,0,0|3,0,0]=4 136 B12R2.24 c1cc2c(cc1Cl)CCNC2 H63786 [0,0,0,1,0,0|1,0,0]=2 137 B12R2.24 c1cc2c(cc1Cl)CNCC2 H63456 [0,0,0,1,0,0|3,0,0]=4 138 B12R2.24 c1cc2c(cc1Cl)CNCC2 H63693 [0,0,0,1,0,0|3,0,0]=4 139 B12R2.24 c1cc2c(cc1F)CCCN2 H35364 [0,0,0,1,0,0|3,0,0]=4 140 B12R2.24 c1cc2c(cc1N)CCNC2 H66983 [0,0,0,1,0,0|1,0,0]=2 141 B12R2.24 c1cc2c(cc1O)CCCC2 L10164 [0,0,0,1,0,0|2,0,0]=3 142 B12R2.24 c1cc2c(cc1O)CCNC2 H64512 [0,0,0,1,0,0|1,0,0]=2 143 B12R2.221 Cc1ccc(c2c1CCC2)O B20343 [0,0,0,1,0,0|2,0,0]=3 144 B12R2.606 Cc1ccc2c(c1)sc(n2)N B23422 [0,0,0,1,0,0|2,0,1]=4 145 B10R1.130 Cc1cc(n(n1)CCN)C H50333 [0,0,0,0,1,0|2,0,0]=3 146 B9R1.8 C#CCc1ccccc1 H53500 [2,0,0,0,0,0|1,0,1]=4 147 B9R1.8 C=CCc1ccccc1 A12965 [2,0,0,0,0,0|1,0,1]=4 148 B9R1.8 CCCc1ccccc1 B21468 [2,0,0,0,0,0|1,0,0]=3 149 B9R1.8 CCNc1ccccc1 A15060 [2,0,0,0,0,0|2,0,0]=4 150 B9R1.8 CCOc1ccccc1 A15501 [2,0,0,0,0,0|2,0,0]=4 151 B9R1.8 CCSc1ccccc1 A13987 [2,0,0,0,0,0|2,0,0]=4 152 B9R1.8 CNCc1ccccc1 A13746 [2,0,0,0,0,0|2,0,0]=4 153 B9R1.8 COCc1ccccc1 B23490 [2,0,0,0,0,0|2,0,0]=4 154 B9R1.8 c1cc(cnc1)CCN L16311 [2,0,0,0,0,0|1,0,0]=3 155 B9R1.8 c1ccc(cc1)CC#N A10694 [2,0,0,0,0,0|0,0,2]=4 156 B9R1.8 c1ccc(cc1)CC=O A14263 [2,0,0,0,0,0|1,0,1]=4 157 B9R1.8 c1ccc(cc1)CCBr A12528 [2,0,0,0,0,0|1,0,0]=3 158 B9R1.8 c1ccc(cc1)CCCl L04891 [2,0,0,0,0,0|1,0,0]=3 159 B9R1.8 c1ccc(cc1)CCN A13402 [2,0,0,0,0,0|0,0,0]=2 160 B9R1.8 c1ccc(cc1)CCO A15241 [2,0,0,0,0,0|1,0,0]=3 161 B9R1.8 c1ccc(cc1)CC[Zn+] H58154 [2,0,0,0,0,0|1,0,0]=3 162 B9R1.8 c1ccc(cc1)CNN H54916 [2,0,0,0,0,0|1,0,0]=3 163 B9R1.8 c1ccc(cc1)CON A17393 [2,0,0,0,0,0|1,0,0]=3 164 B9R1.8 c1ccc(cc1)CON L13601 [2,0,0,0,0,0|1,0,0]=3 165 B9R1.8 c1ccnc(c1)CCN L05627 [2,0,0,0,0,0|1,0,0]=3 166 B9R1.8 c1ccnc(c1)CCO B23579 [2,0,0,0,0,0|2,0,0]=4 167 B9R1.8 c1cnccc1CCN H27545 [2,0,0,0,0,0|1,0,0]=3 168 B9R1.8 c1cnccc1CCO L13780 [2,0,0,0,0,0|2,0,0]=4 169 B9R1.15 CCc1c(nccn1)C A11092 [2,0,0,0,0,0|2,0,0]=4 170 B9R1.15 CCc1ccccc1Br B23449 [2,0,0,0,0,0|1,0,0]=3 171 B9R1.15 CCc1ccccc1C L02028 [2,0,0,0,0,0|0,0,0]=2 172 B9R1.15 CCc1ccccc1I A14509 [2,0,0,0,0,0|1,0,0]=3 173 B9R1.15 CCc1ccccc1N A14984 [2,0,0,0,0,0|1,0,0]=3 174 B9R1.15 CCc1ccccc1O L01637 [2,0,0,0,0,0|1,0,0]=3 175 B9R1.15 CCc1ccccc1S L11498 [2,0,0,0,0,0|1,0,0]=3 176 B9R1.15 CCc1ccccc1[Zn+] H58221 [2,0,0,0,0,0|1,0,0]=3 177 B9R1.15 CCc1cnccc1C B21406 [2,0,0,0,0,0|1,0,0]=3 178 B9R1.15 CNc1ccccc1Br H55166 [2,0,0,0,0,0|2,0,0]=4 179 B9R1.15 CNc1ccccc1Cl A14343 [2,0,0,0,0,0|2,0,0]=4 180 B9R1.15 COc1ccccc1Br A11692 [2,0,0,0,0,0|2,0,0]=4 181 B9R1.15 COc1ccccc1Cl L06952 [2,0,0,0,0,0|2,0,0]=4 182 B9R1.15 COc1ccccc1F A12380 [2,0,0,0,0,0|2,0,0]=4 183 B9R1.15 COc1ccccc1I A10150 [2,0,0,0,0,0|2,0,0]=4 184 B9R1.15 COc1ccccc1N A10288 [2,0,0,0,0,0|2,0,0]=4 185 B9R1.15 COc1ccccc1O A16319 [2,0,0,0,0,0|2,0,0]=4 186 B9R1.15 COc1ccccc1S L09689 [2,0,0,0,0,0|2,0,0]=4 187 B9R1.15 COc1ccccc1[Mg+] H54579 [2,0,0,0,0,0|2,0,0]=4 188 B9R1.15 COc1ccccc1[Zn+] H58341 [2,0,0,0,0,0|2,0,0]=4 189 B9R1.15 CSc1ccccc1Br A13632 [2,0,0,0,0,0|2,0,0]=4 190 B9R1.15 CSc1ccccc1I A14051 [2,0,0,0,0,0|2,0,0]=4 191 B9R1.15 CSc1ccccc1N A12762 [2,0,0,0,0,0|2,0,0]=4 192 B9R1.15 CSc1ccccc1O L10128 [2,0,0,0,0,0|2,0,0]=4 193 B9R1.15 Cc1ccccc1C#N B22231 [2,0,0,0,0,0|0,0,2]=4 194 B9R1.15 Cc1ccccc1C=C A12676 [2,0,0,0,0,0|0,0,2]=4 195 B9R1.15 Cc1ccccc1C=O A10172 [2,0,0,0,0,0|1,0,1]=4 196 B9R1.15 Cc1ccccc1CBr B21717 [2,0,0,0,0,0|1,0,0]=3 197 B9R1.15 Cc1ccccc1CCl A13448 [2,0,0,0,0,0|1,0,0]=3 198 B9R1.15 Cc1ccccc1CN L05243 [2,0,0,0,0,0|0,0,0]=2 199 B9R1.15 Cc1ccccc1CO A12696 [2,0,0,0,0,0|1,0,0]=3 200 B9R1.15 Cc1ccccc1CS A15816 [2,0,0,0,0,0|1,0,0]=3 201 B9R1.15 Cc1ccccc1C[Mg+] H54170 [2,0,0,0,0,0|1,0,0]=3 202 B9R1.15 Cc1ccccc1NN A15767 [2,0,0,0,0,0|1,0,0]=3 203 B9R1.15 Cc1ccccc1OC A13897 [2,0,0,0,0,0|1,0,0]=3 204 B9R1.15 c1ccc(c(c1)CBr)Br A11285 [2,0,0,0,0,0|2,0,0]=4 205 B9R1.15 c1ccc(c(c1)CBr)Cl A12129 [2,0,0,0,0,0|2,0,0]=4 206 B9R1.15 c1ccc(c(c1)CBr)F A12692 [2,0,0,0,0,0|2,0,0]=4 207 B9R1.15 c1ccc(c(c1)CBr)I B21715 [2,0,0,0,0,0|2,0,0]=4 208 B9R1.15 c1ccc(c(c1)CCl)Br L11953 [2,0,0,0,0,0|2,0,0]=4 209 B9R1.15 c1ccc(c(c1)CCl)Cl A11900 [2,0,0,0,0,0|2,0,0]=4 210 B9R1.15 c1ccc(c(c1)CCl)F A11566 [2,0,0,0,0,0|2,0,0]=4 211 B9R1.15 c1ccc(c(c1)CN)Br A12412 [2,0,0,0,0,0|1,0,0]=3 212 B9R1.15 c1ccc(c(c1)CN)Br A18151 [2,0,0,0,0,0|1,0,0]=3 213 B9R1.15 c1ccc(c(c1)CN)Cl A15594 [2,0,0,0,0,0|1,0,0]=3 214 B9R1.15 c1ccc(c(c1)CN)F A15623 [2,0,0,0,0,0|1,0,0]=3 215 B9R1.15 c1ccc(c(c1)CO)Br A15700 [2,0,0,0,0,0|2,0,0]=4 216 B9R1.15 c1ccc(c(c1)CO)Cl A13657 [2,0,0,0,0,0|2,0,0]=4 217 B9R1.15 c1ccc(c(c1)CO)F A14791 [2,0,0,0,0,0|2,0,0]=4 218 B9R1.15 c1ccc(c(c1)CO)I L15126 [2,0,0,0,0,0|2,0,0]=4 219 B9R1.15 c1ccc(c(c1)CO)N A13180 [2,0,0,0,0,0|2,0,0]=4 220 B9R1.15 c1ccc(c(c1)CO)O A14410 [2,0,0,0,0,0|2,0,0]=4 221 B9R1.15 c1ccc(c(c1)CO)S L11536 [2,0,0,0,0,0|2,0,0]=4 222 B9R1.15 c1ccc(c(c1)CS)Br H26247 [2,0,0,0,0,0|2,0,0]=4 223 B9R1.15 c1ccc(c(c1)CS)Cl A15826 [2,0,0,0,0,0|2,0,0]=4 224 B9R1.15 c1ccc(c(c1)C[Mg+])Br H60066 [2,0,0,0,0,0|2,0,0]=4 225 B9R1.15 c1ccc(c(c1)C[Mg+])Cl H54820 [2,0,0,0,0,0|2,0,0]=4 226 B9R1.15 c1ccc(c(c1)C[Mg+])F H54881 [2,0,0,0,0,0|2,0,0]=4 227 B9R1.15 c1ccc(c(c1)C[Zn+])Br H58678 [2,0,0,0,0,0|2,0,0]=4 228 B9R1.15 c1ccc(c(c1)C[Zn+])F H58614 [2,0,0,0,0,0|2,0,0]=4 229 B9R1.15 c1ccc(c(c1)NN)Br B23966 [2,0,0,0,0,0|2,0,0]=4 230 B9R1.15 c1ccc(c(c1)NN)Cl A14136 [2,0,0,0,0,0|2,0,0]=4 231 B9R1.15 c1ccc(c(c1)NN)F A13716 [2,0,0,0,0,0|2,0,0]=4 232 B9R1.2 CC[n+]1cccc(c1)O H55169 [2,0,0,0,0,0|2,0,0]=4 233 B9R1.2 CCc1cccc(c1)Br A12258 [2,0,0,0,0,0|1,0,0]=3 234 B9R1.2 CCc1cccc(c1)C L18788 [2,0,0,0,0,0|0,0,0]=2 235 B9R1.2 CCc1cccc(c1)O B23470 [2,0,0,0,0,0|1,0,0]=3 236 B9R1.2 CCc1cccc(n1)N A19146 [2,0,0,0,0,0|2,0,0]=4 237 B9R1.2 CCc1ccnc(c1)N A18754 [2,0,0,0,0,0|2,0,0]=4 238 B9R1.2 CNc1cccc(c1)Br H55464 [2,0,0,0,0,0|2,0,0]=4 239 B9R1.2 CNc1cccc(c1)Cl A12418 [2,0,0,0,0,0|2,0,0]=4 240 B9R1.2 CNc1cccc(c1)F B22565 [2,0,0,0,0,0|2,0,0]=4 241 B9R1.2 COc1cccc(c1)Br A15625 [2,0,0,0,0,0|2,0,0]=4 242 B9R1.2 COc1cccc(c1)Cl A17327 [2,0,0,0,0,0|2,0,0]=4 243 B9R1.2 COc1cccc(c1)F A10931 [2,0,0,0,0,0|2,0,0]=4 244 B9R1.2 COc1cccc(c1)I A14208 [2,0,0,0,0,0|2,0,0]=4 245 B9R1.2 COc1cccc(c1)N A10815 [2,0,0,0,0,0|2,0,0]=4 246 B9R1.2 COc1cccc(c1)O A12826 [2,0,0,0,0,0|2,0,0]=4 247 B9R1.2 COc1cccc(c1)S A10648 [2,0,0,0,0,0|2,0,0]=4 248 B9R1.2 COc1cccc(c1)[Mg+] H54780 [2,0,0,0,0,0|2,0,0]=4 249 B9R1.2 COc1cccc(c1)[Zn+] H58982 [2,0,0,0,0,0|2,0,0]=4 250 B9R1.2 CSc1cccc(c1)Br B25406 [2,0,0,0,0,0|2,0,0]=4 251 B9R1.2 CSc1cccc(c1)Cl L11346 [2,0,0,0,0,0|2,0,0]=4 252 B9R1.2 CSc1cccc(c1)N B23184 [2,0,0,0,0,0|2,0,0]=4 253 B9R1.2 Cc1cccc(c1)C#C L17184 [2,0,0,0,0,0|0,0,2]=4 254 B9R1.2 Cc1cccc(c1)C#N A13165 [2,0,0,0,0,0|0,0,2]=4 255 B9R1.2 Cc1cccc(c1)C=C L08072 [2,0,0,0,0,0|0,0,2]=4 256 B9R1.2 Cc1cccc(c1)C=O A15313 [2,0,0,0,0,0|1,0,1]=4 257 B9R1.2 Cc1cccc(c1)CBr B24731 [2,0,0,0,0,0|1,0,0]=3 258 B9R1.2 Cc1cccc(c1)CCl A10784 [2,0,0,0,0,0|1,0,0]=3 259 B9R1.2 Cc1cccc(c1)CN L04922 [2,0,0,0,0,0|0,0,0]=2 260 B9R1.2 Cc1cccc(c1)CO B20875 [2,0,0,0,0,0|1,0,0]=3 261 B9R1.2 Cc1cccc(c1)CS L12043 [2,0,0,0,0,0|1,0,0]=3 262 B9R1.2 Cc1cccc(c1)C[Mg+] H54617 [2,0,0,0,0,0|1,0,0]=3 263 B9R1.2 Cc1cccc(c1)NN A13667 [2,0,0,0,0,0|1,0,0]=3 264 B9R1.2 Cc1cccc(c1)NN L11958 [2,0,0,0,0,0|1,0,0]=3 265 B9R1.2 Cc1cccc(c1)OC B21455 [2,0,0,0,0,0|1,0,0]=3 266 B9R1.2 Cc1cccc(n1)CBr H55438 [2,0,0,0,0,0|2,0,0]=4 267 B9R1.2 Cc1cccc(n1)CO H26794 [2,0,0,0,0,0|2,0,0]=4 268 B9R1.2 Cc1cccc(n1)OC H25772 [2,0,0,0,0,0|2,0,0]=4 269 B9R1.2 c1cc(cc(c1)Br)CBr A15075 [2,0,0,0,0,0|2,0,0]=4 270 B9R1.2 c1cc(cc(c1)Br)CCl L12458 [2,0,0,0,0,0|2,0,0]=4 271 B9R1.2 c1cc(cc(c1)Br)CN A16132 [2,0,0,0,0,0|1,0,0]=3 272 B9R1.2 c1cc(cc(c1)Br)CN B24963 [2,0,0,0,0,0|1,0,0]=3 273 B9R1.2 c1cc(cc(c1)Br)CO A10929 [2,0,0,0,0,0|2,0,0]=4 274 B9R1.2 c1cc(cc(c1)Br)CS H26358 [2,0,0,0,0,0|2,0,0]=4 275 B9R1.2 c1cc(cc(c1)Br)C[Mg+] H60329 [2,0,0,0,0,0|2,0,0]=4 276 B9R1.2 c1cc(cc(c1)Br)C[Zn+] H58983 [2,0,0,0,0,0|2,0,0]=4 277 B9R1.2 c1cc(cc(c1)Br)NN B23510 [2,0,0,0,0,0|2,0,0]=4 278 B9R1.2 c1cc(cc(c1)Cl)CBr A15844 [2,0,0,0,0,0|2,0,0]=4 279 B9R1.2 c1cc(cc(c1)Cl)CCl A11041 [2,0,0,0,0,0|2,0,0]=4 280 B9R1.2 c1cc(cc(c1)Cl)CN A14078 [2,0,0,0,0,0|1,0,0]=3 281 B9R1.2 c1cc(cc(c1)Cl)CO A11841 [2,0,0,0,0,0|2,0,0]=4 282 B9R1.2 c1cc(cc(c1)Cl)C[Mg+] H54237 [2,0,0,0,0,0|2,0,0]=4 283 B9R1.2 c1cc(cc(c1)Cl)C[Zn+] H58753 [2,0,0,0,0,0|2,0,0]=4 284 B9R1.2 c1cc(cc(c1)Cl)NN A14770 [2,0,0,0,0,0|2,0,0]=4 285 B9R1.2 c1cc(cc(c1)F)CBr A15446 [2,0,0,0,0,0|2,0,0]=4 286 B9R1.2 c1cc(cc(c1)F)CCl A12665 [2,0,0,0,0,0|2,0,0]=4 287 B9R1.2 c1cc(cc(c1)F)CN B23527 [2,0,0,0,0,0|1,0,0]=3 288 B9R1.2 c1cc(cc(c1)F)CO A12509 [2,0,0,0,0,0|2,0,0]=4 289 B9R1.2 c1cc(cc(c1)F)C[Mg+] H54485 [2,0,0,0,0,0|2,0,0]=4 290 B9R1.2 c1cc(cc(c1)F)C[Zn+] H58707 [2,0,0,0,0,0|2,0,0]=4 291 B9R1.2 c1cc(cc(c1)F)NN L07418 [2,0,0,0,0,0|2,0,0]=4 292 B9R1.2 c1cc(cc(c1)I)CBr A11140 [2,0,0,0,0,0|2,0,0]=4 293 B9R1.2 c1cc(cc(c1)I)CN L05622 [2,0,0,0,0,0|1,0,0]=3 294 B9R1.2 c1cc(cc(c1)I)CN L17801 [2,0,0,0,0,0|1,0,0]=3 295 B9R1.2 c1cc(cc(c1)I)CO L05309 [2,0,0,0,0,0|2,0,0]=4 296 B9R1.2 c1cc(cc(c1)N)CO L07847 [2,0,0,0,0,0|2,0,0]=4 297 B9R1.2 c1cc(cc(c1)O)CN H35708 [2,0,0,0,0,0|1,0,0]=3 298 B9R1.2 c1cc(cc(c1)O)CO A15981 [2,0,0,0,0,0|2,0,0]=4 299 B9R1.69 CC1=CC(=O)C=CC1=O 36670 [2,0,0,0,0,0|2,0,0]=4 300 B9R1.69 Cc1c(cc(cn1)Br)N H54665 [2,0,0,0,0,0|2,0,0]=4 301 B9R1.69 Cc1cc(c(nc1)Br)N H31613 [2,0,0,0,0,0|2,0,0]=4 302 B9R1.69 Cc1cc(c(nc1)C)C B23537 [2,0,0,0,0,0|1,0,0]=3 303 B9R1.69 Cc1cc(ccc1Br)Br A19418 [2,0,0,0,0,0|2,0,0]=4 304 B9R1.69 Cc1cc(ccc1Br)Cl A14132 [2,0,0,0,0,0|2,0,0]=4 305 B9R1.69 Cc1cc(ccc1Br)F A11112 [2,0,0,0,0,0|2,0,0]=4 306 B9R1.69 Cc1cc(ccc1Br)I B22462 [2,0,0,0,0,0|2,0,0]=4 307 B9R1.69 Cc1cc(ccc1Br)N A15417 [2,0,0,0,0,0|2,0,0]=4 308 B9R1.69 Cc1cc(ccc1Br)O L17510 [2,0,0,0,0,0|2,0,0]=4 309 B9R1.69 Cc1cc(ccc1Cl)Br A10602 [2,0,0,0,0,0|2,0,0]=4 310 B9R1.69 Cc1cc(ccc1Cl)Cl A13039 [2,0,0,0,0,0|2,0,0]=4 311 B9R1.69 Cc1cc(ccc1Cl)F A19686 [2,0,0,0,0,0|2,0,0]=4 312 B9R1.69 Cc1cc(ccc1Cl)N B22234 [2,0,0,0,0,0|2,0,0]=4 313 B9R1.69 Cc1cc(ccc1Cl)O A17823 [2,0,0,0,0,0|2,0,0]=4 314 B9R1.69 Cc1cc(ccc1Cl)[Mg+] H54052 [2,0,0,0,0,0|2,0,0]=4 315 B9R1.69 Cc1cc(ccc1F)Br A10721 [2,0,0,0,0,0|2,0,0]=4 316 B9R1.69 Cc1cc(ccc1F)Cl L07615 [2,0,0,0,0,0|2,0,0]=4 317 B9R1.69 Cc1cc(ccc1F)F B22544 [2,0,0,0,0,0|2,0,0]=4 318 B9R1.69 Cc1cc(ccc1F)I L08396 [2,0,0,0,0,0|2,0,0]=4 319 B9R1.69 Cc1cc(ccc1F)N A15482 [2,0,0,0,0,0|2,0,0]=4 320 B9R1.69 Cc1cc(ccc1F)O L19897 [2,0,0,0,0,0|2,0,0]=4 321 B9R1.69 Cc1cc(ccc1F)[Mg+] H54585 [2,0,0,0,0,0|2,0,0]=4 322 B9R1.69 Cc1cc(ccc1I)Br B21878 [2,0,0,0,0,0|2,0,0]=4 323 B9R1.69 Cc1cc(ccc1I)Cl B21681 [2,0,0,0,0,0|2,0,0]=4 324 B9R1.69 Cc1cc(ccc1N)Br A15543 [2,0,0,0,0,0|2,0,0]=4 325 B9R1.69 Cc1cc(ccc1N)Br B25511 [2,0,0,0,0,0|2,0,0]=4 326 B9R1.69 Cc1cc(ccc1N)F A11609 [2,0,0,0,0,0|2,0,0]=4 327 B9R1.69 Cc1cc(ccc1N)I L02306 [2,0,0,0,0,0|2,0,0]=4 328 B9R1.69 Cc1cc(ccc1N)N L07388 [2,0,0,0,0,0|2,0,0]=4 329 B9R1.69 Cc1cc(ccc1N)O B23152 [2,0,0,0,0,0|2,0,0]=4 330 B9R1.69 Cc1cc(ccc1O)Br H32307 [2,0,0,0,0,0|2,0,0]=4 331 B9R1.69 Cc1cc(ccc1O)Cl L04164 [2,0,0,0,0,0|2,0,0]=4 332 B9R1.69 Cc1cc(ccc1O)F A16032 [2,0,0,0,0,0|2,0,0]=4 333 B9R1.69 Cc1cc(ccc1O)O B21241 [2,0,0,0,0,0|2,0,0]=4 334 B9R1.69 Cc1cc(ccc1[Mg+])Cl H54697 [2,0,0,0,0,0|2,0,0]=4 335 B9R1.69 Cc1cc(ccc1[Mg+])F H54865 [2,0,0,0,0,0|2,0,0]=4 336 B9R1.69 Cc1cc(ccc1[Zn+])Br H58562 [2,0,0,0,0,0|2,0,0]=4 337 B9R1.69 Cc1ccc(c(c1)Br)Br A13351 [2,0,0,0,0,0|2,0,0]=4 338 B9R1.69 Cc1ccc(c(c1)Br)C A14358 [2,0,0,0,0,0|1,0,0]=3 339 B9R1.69 Cc1ccc(c(c1)Br)F B21523 [2,0,0,0,0,0|2,0,0]=4 340 B9R1.69 Cc1ccc(c(c1)Br)N A13818 [2,0,0,0,0,0|2,0,0]=4 341 B9R1.69 Cc1ccc(c(c1)Br)O B21701 [2,0,0,0,0,0|2,0,0]=4 342 B9R1.69 Cc1ccc(c(c1)C)Br A10212 [2,0,0,0,0,0|1,0,0]=3 343 B9R1.69 Cc1ccc(c(c1)C)C 12411 [2,0,0,0,0,0|0,0,0]=2 344 B9R1.69 Cc1ccc(c(c1)C)Cl B21275 [2,0,0,0,0,0|1,0,0]=3 345 B9R1.69 Cc1ccc(c(c1)C)I A16878 [2,0,0,0,0,0|1,0,0]=3 346 B9R1.69 Cc1ccc(c(c1)C)N L02744 [2,0,0,0,0,0|1,0,0]=3 347 B9R1.69 Cc1ccc(c(c1)C)O A11966 [2,0,0,0,0,0|1,0,0]=3 348 B9R1.69 Cc1ccc(c(c1)C)S B23161 [2,0,0,0,0,0|1,0,0]=3 349 B9R1.69 Cc1ccc(c(c1)C)[Mg+] H54134 [2,0,0,0,0,0|1,0,0]=3 350 B9R1.69 Cc1ccc(c(c1)C)[Zn+] H58149 [2,0,0,0,0,0|1,0,0]=3 351 B9R1.69 Cc1ccc(c(c1)Cl)Cl A10763 [2,0,0,0,0,0|2,0,0]=4 352 B9R1.69 Cc1ccc(c(c1)Cl)F H63822 [2,0,0,0,0,0|2,0,0]=4 353 B9R1.69 Cc1ccc(c(c1)Cl)N B22935 [2,0,0,0,0,0|2,0,0]=4 354 B9R1.69 Cc1ccc(c(c1)F)Br A19142 [2,0,0,0,0,0|2,0,0]=4 355 B9R1.69 Cc1ccc(c(c1)F)Cl H32272 [2,0,0,0,0,0|2,0,0]=4 356 B9R1.69 Cc1ccc(c(c1)F)F 41789 [2,0,0,0,0,0|2,0,0]=4 357 B9R1.69 Cc1ccc(c(c1)F)I H53491 [2,0,0,0,0,0|2,0,0]=4 358 B9R1.69 Cc1ccc(c(c1)F)N A16591 [2,0,0,0,0,0|2,0,0]=4 359 B9R1.69 Cc1ccc(c(c1)F)O H26138 [2,0,0,0,0,0|2,0,0]=4 360 B9R1.69 Cc1ccc(c(c1)I)C L01055 [2,0,0,0,0,0|1,0,0]=3 361 B9R1.69 Cc1ccc(c(c1)N)Br H61639 [2,0,0,0,0,0|1,0,0]=3 362 B9R1.69 Cc1ccc(c(c1)N)C A12682 [2,0,0,0,0,0|0,0,0]=2 363 B9R1.69 Cc1ccc(c(c1)N)Cl H26209 [2,0,0,0,0,0|1,0,0]=3 364 B9R1.69 Cc1ccc(c(c1)N)F L13411 [2,0,0,0,0,0|1,0,0]=3 365 B9R1.69 Cc1ccc(c(c1)N)N B24378 [2,0,0,0,0,0|1,0,0]=3 366 B9R1.69 Cc1ccc(c(c1)N)O A19546 [2,0,0,0,0,0|1,0,0]=3 367 B9R1.69 Cc1ccc(c(c1)O)C A17755 [2,0,0,0,0,0|1,0,0]=3 368 B9R1.69 Cc1ccc(c(c1)O)Cl L00816 [2,0,0,0,0,0|2,0,0]=4 369 B9R1.69 Cc1ccc(c(c1)O)F B20275 [2,0,0,0,0,0|2,0,0]=4 370 B9R1.69 Cc1ccc(c(c1)O)N B23560 [2,0,0,0,0,0|2,0,0]=4 371 B9R1.69 Cc1ccc(c(c1)O)O L04495 [2,0,0,0,0,0|2,0,0]=4 372 B9R1.69 Cc1ccc(c(c1)S)C B24164 [2,0,0,0,0,0|1,0,0]=3 373 B9R1.69 Cc1ccc(c(c1)S)S L15003 [2,0,0,0,0,0|2,0,0]=4 374 B9R1.69 Cc1ccc(c(c1)[Mg+])C H54073 [2,0,0,0,0,0|1,0,0]=3 375 B9R1.69 Cc1ccc(c(c1)[Zn+])C H58646 [2,0,0,0,0,0|1,0,0]=3 376 B9R1.69 Cc1ccc(c(n1)C)N L19842 [2,0,0,0,0,0|2,0,0]=4 377 B9R1.69 Cc1ccc(c(n1)N)Br H66162 [2,0,0,0,0,0|2,0,0]=4 378 B9R1.69 Cc1ccc(cc1Br)Br H63869 [2,0,0,0,0,0|2,0,0]=4 379 B9R1.69 Cc1ccc(cc1Br)Cl B25329 [2,0,0,0,0,0|2,0,0]=4 380 B9R1.69 Cc1ccc(cc1Br)F A12792 [2,0,0,0,0,0|2,0,0]=4 381 B9R1.69 Cc1ccc(cc1Br)N B24670 [2,0,0,0,0,0|2,0,0]=4 382 B9R1.69 Cc1ccc(cc1Br)O H28689 [2,0,0,0,0,0|2,0,0]=4 383 B9R1.69 Cc1ccc(cc1C)Br A14736 [2,0,0,0,0,0|1,0,0]=3 384 B9R1.69 Cc1ccc(cc1C)Cl A19032 [2,0,0,0,0,0|1,0,0]=3 385 B9R1.69 Cc1ccc(cc1C)F A18253 [2,0,0,0,0,0|1,0,0]=3 386 B9R1.69 Cc1ccc(cc1C)I A13232 [2,0,0,0,0,0|1,0,0]=3 387 B9R1.69 Cc1ccc(cc1C)N A16928 [2,0,0,0,0,0|1,0,0]=3 388 B9R1.69 Cc1ccc(cc1C)O A10599 [2,0,0,0,0,0|1,0,0]=3 389 B9R1.69 Cc1ccc(cc1C)S B23168 [2,0,0,0,0,0|1,0,0]=3 390 B9R1.69 Cc1ccc(cc1C)[Mg+] H54346 [2,0,0,0,0,0|1,0,0]=3 391 B9R1.69 Cc1ccc(cc1C)[Zn+] H58165 [2,0,0,0,0,0|1,0,0]=3 392 B9R1.69 Cc1ccc(cc1Cl)Br B22293 [2,0,0,0,0,0|2,0,0]=4 393 B9R1.69 Cc1ccc(cc1Cl)Cl B24406 [2,0,0,0,0,0|2,0,0]=4 394 B9R1.69 Cc1ccc(cc1Cl)F B20278 [2,0,0,0,0,0|2,0,0]=4 395 B9R1.69 Cc1ccc(cc1Cl)I B20974 [2,0,0,0,0,0|2,0,0]=4 396 B9R1.69 Cc1ccc(cc1Cl)N A15439 [2,0,0,0,0,0|2,0,0]=4 397 B9R1.69 Cc1ccc(cc1Cl)N H31342 [2,0,0,0,0,0|2,0,0]=4 398 B9R1.69 Cc1ccc(cc1Cl)O H27385 [2,0,0,0,0,0|2,0,0]=4 399 B9R1.69 Cc1ccc(cc1Cl)[Mg+] H54075 [2,0,0,0,0,0|2,0,0]=4 400 B9R1.69 Cc1ccc(cc1F)Br A15891 [2,0,0,0,0,0|2,0,0]=4 401 B9R1.69 Cc1ccc(cc1F)Cl A14753 [2,0,0,0,0,0|2,0,0]=4 402 B9R1.69 Cc1ccc(cc1F)F A11667 [2,0,0,0,0,0|2,0,0]=4 403 B9R1.69 Cc1ccc(cc1F)I A12679 [2,0,0,0,0,0|2,0,0]=4 404 B9R1.69 Cc1ccc(cc1F)N A14484 [2,0,0,0,0,0|2,0,0]=4 405 B9R1.69 Cc1ccc(cc1F)O H31864 [2,0,0,0,0,0|2,0,0]=4 406 B9R1.69 Cc1ccc(cc1F)[Mg+] H54830 [2,0,0,0,0,0|2,0,0]=4 407 B9R1.69 Cc1ccc(cc1F)[Zn+] H58775 [2,0,0,0,0,0|2,0,0]=4 408 B9R1.69 Cc1ccc(cc1I)F L06833 [2,0,0,0,0,0|2,0,0]=4 409 B9R1.69 Cc1ccc(cc1I)N A11485 [2,0,0,0,0,0|2,0,0]=4 410 B9R1.69 Cc1ccc(cc1N)Cl B21392 [2,0,0,0,0,0|1,0,0]=3 411 B9R1.69 Cc1ccc(cc1N)F B25381 [2,0,0,0,0,0|1,0,0]=3 412 B9R1.69 Cc1ccc(cc1N)I L07404 [2,0,0,0,0,0|1,0,0]=3 413 B9R1.69 Cc1ccc(cc1N)N B23495 [2,0,0,0,0,0|1,0,0]=3 414 B9R1.69 Cc1ccc(cc1O)Br H26956 [2,0,0,0,0,0|2,0,0]=4 415 B9R1.69 Cc1ccc(cc1O)Cl B25527 [2,0,0,0,0,0|2,0,0]=4 416 B9R1.69 Cc1ccc(cc1O)F B25606 [2,0,0,0,0,0|2,0,0]=4 417 B9R1.69 Cc1ccc(cc1O)N H66252 [2,0,0,0,0,0|2,0,0]=4 418 B9R1.69 Cc1ccc(cc1[Mg+])Cl H54415 [2,0,0,0,0,0|2,0,0]=4 419 B9R1.69 Cc1ccc(cc1[Mg+])F H54234 [2,0,0,0,0,0|2,0,0]=4 420 B9R1.69 Cc1ccc(cc1[Zn+])F H58892 [2,0,0,0,0,0|2,0,0]=4 421 B9R1.69 Cc1cnc(c(n1)C)C A14870 [2,0,0,0,0,0|2,0,0]=4 422 B9R1.69 c1cc(c(cc1Br)N)Br A19114 [2,0,0,0,0,0|2,0,0]=4 423 B9R1.69 c1cc(c(cc1Br)N)Cl H64104 [2,0,0,0,0,0|2,0,0]=4 424 B9R1.69 c1cc(c(cc1Br)N)F H61678 [2,0,0,0,0,0|2,0,0]=4 425 B9R1.69 c1cc(c(cc1Br)N)N H26929 [2,0,0,0,0,0|2,0,0]=4 426 B9R1.69 c1cc(c(cc1Br)N)O H55763 [2,0,0,0,0,0|2,0,0]=4 427 B9R1.69 c1cc(c(cc1Cl)N)Cl A11151 [2,0,0,0,0,0|2,0,0]=4 428 B9R1.69 c1cc(c(cc1Cl)N)F B20951 [2,0,0,0,0,0|2,0,0]=4 429 B9R1.69 c1cc(c(cc1Cl)N)I B25709 [2,0,0,0,0,0|2,0,0]=4 430 B9R1.69 c1cc(c(cc1Cl)N)N A10823 [2,0,0,0,0,0|2,0,0]=4 431 B9R1.69 c1cc(c(cc1Cl)N)O A10135 [2,0,0,0,0,0|2,0,0]=4 432 B9R1.69 c1cc(c(cc1Cl)N)S B25640 [2,0,0,0,0,0|2,0,0]=4 433 B9R1.69 c1cc(c(cc1F)N)Br B24901 [2,0,0,0,0,0|2,0,0]=4 434 B9R1.69 c1cc(c(cc1F)N)Cl B25618 [2,0,0,0,0,0|2,0,0]=4 435 B9R1.69 c1cc(c(cc1F)N)F A10272 [2,0,0,0,0,0|2,0,0]=4 436 B9R1.69 c1cc(c(cc1F)N)I L17723 [2,0,0,0,0,0|2,0,0]=4 437 B9R1.69 c1cc(c(cc1F)N)N A13977 [2,0,0,0,0,0|2,0,0]=4 438 B9R1.69 c1cc(c(cc1F)N)O H26165 [2,0,0,0,0,0|2,0,0]=4 439 B9R1.69 c1cc(c(cc1I)N)N H64469 [2,0,0,0,0,0|2,0,0]=4 440 B9R1.69 c1cc(c(cc1N)N)Cl A15430 [2,0,0,0,0,0|2,0,0]=4 441 B9R1.69 c1cc(c(cc1N)N)F H61476 [2,0,0,0,0,0|2,0,0]=4 442 B9R1.69 c1cc(c(cc1N)N)N A17758 [2,0,0,0,0,0|2,0,0]=4 443 B9R1.69 c1cc(c(cc1N)N)O A17697 [2,0,0,0,0,0|2,0,0]=4 444 B9R1.69 c1cc(c(cc1O)N)Cl H55826 [2,0,0,0,0,0|2,0,0]=4 445 B9R1.69 c1cc(c(cc1O)N)F H61829 [2,0,0,0,0,0|2,0,0]=4 446 B11R1.13 Cc1c(cccc1F)CC#N H32846 [1,1,0,0,0,0|0,0,2]=4 447 B11R1.13 c1cc(c(c(c1)Cl)F)CCO H31742 [1,1,0,0,0,0|2,0,0]=4 448 B11R1.13 c1cc(c(c(c1)F)F)CCO H32408 [1,1,0,0,0,0|2,0,0]=4 449 B11R1.17 CCNCc1ccccc1F H56127 [1,1,0,0,0,0|2,0,0]=4 450 B11R1.17 c1ccc(c(c1)CCCO)Br H63884 [1,1,0,0,0,0|2,0,0]=4 451 B11R1.17 c1ccc(c(c1)OCCN)Cl H50704 [1,1,0,0,0,0|1,0,0]=3 452 B11R1.17 c1ccc(c(c1)OCCN)F H50835 [1,1,0,0,0,0|1,0,0]=3 453 B11R1.17 c1ccc(c(c1)OCCO)Cl L04368 [1,1,0,0,0,0|2,0,0]=4 454 B11R1.41 CCOc1ccccc1CO A15477 [1,1,0,0,0,0|2,0,0]=4 455 B11R1.41 CNCc1ccccc1OC H63339 [1,1,0,0,0,0|2,0,0]=4 456 B11R1.41 COc1ccccc1CC#N B24400 [1,1,0,0,0,0|0,0,2]=4 457 B11R1.81 Cc1cc(ccc1CC#N)F H32892 [1,1,0,0,0,0|0,0,2]=4 458 B11R1.81 c1cc(c(cc1Cl)Cl)CCO H64345 [1,1,0,0,0,0|2,0,0]=4 459 B11R1.86 CC(Cc1ccccc1F)N H50999 [1,1,0,0,0,0|1,0,0]=3 460 B11R1.86 Cc1ccccc1CC(=O)Cl H37418 [1,1,0,0,0,0|1,0,1]=4 461 B11R1.86 Cc1ccccc1CC(=O)O A15783 [1,1,0,0,0,0|1,0,1]=4 462 B11R1.86 Cc1ccccc1CC(=S)N H33111 [1,1,0,0,0,0|0,0,1]=3 463 B11R1.86 Cc1ccccc1NC(=O)N B23086 [1,1,0,0,0,0|1,0,1]=4 464 B11R1.86 Cc1ccccc1NC(=S)N B22350 [1,1,0,0,0,0|1,0,1]=4 465 B11R1.86 c1ccc(c(c1)CC(=S)N)Cl H26685 [1,1,0,0,0,0|1,0,1]=4 466 B11R1.222 CCC(C)c1ccccc1O A18461 [1,1,0,0,0,0|2,0,0]=4 467 B11R1.222 CCC(c1ccccc1F)O H31929 [1,1,0,0,0,0|2,0,0]=4 468 B11R1.222 Cc1ccccc1C(=O)CBr H64651 [1,1,0,0,0,0|1,0,1]=4 469 B11R1.222 Cc1ccccc1C(=O)NN L00668 [1,1,0,0,0,0|1,0,1]=4 470 B11R1.222 c1ccc(c(c1)C(CN)O)F H50770 [1,1,0,0,0,0|1,0,0]=3 471 B11R1.222 c1ccc(c(c1)[C@@H](CO)O)Cl H56431 [1,1,0,0,0,0|2,0,0]=4 472 B11R1.605 CCCc1c(cccc1O)O H27024 [1,1,0,0,0,0|2,0,0]=4 473 B11R1.23 CCC(c1cccc(c1)F)O H32342 [1,1,0,0,0,0|2,0,0]=4 474 B11R1.23 Cc1cccc(c1)C(=O)NN L01043 [1,1,0,0,0,0|1,0,1]=4 475 B11R1.24 CCCC[n+]1cccc(c1)C H26983 [1,1,0,0,0,0|2,0,0]=4 476 B11R1.24 CCCC[n+]1cccc(c1)C H27496 [1,1,0,0,0,0|2,0,0]=4 477 B11R1.24 CCNCc1cccc(c1)F H56434 [1,1,0,0,0,0|2,0,0]=4 478 B11R1.24 Cc1cccc(c1)CN=C=S H54893 [1,1,0,0,0,0|1,0,1]=4 479 B11R1.24 Cc1cccc(c1)OCCO L04984 [1,1,0,0,0,0|1,0,0]=3 480 B11R1.24 c1cc(cc(c1)F)OCCN H51681 [1,1,0,0,0,0|1,0,0]=3 481 B11R1.34 Cc1cc(cc(c1)CC#N)C L10170 [1,1,0,0,0,0|0,0,2]=4 482 B11R1.157 Cc1cccc(c1)CC(=O)Cl H37453 [1,1,0,0,0,0|1,0,1]=4 483 B11R1.157 Cc1cccc(c1)CC(=O)O A17743 [1,1,0,0,0,0|1,0,1]=4 484 B11R1.157 Cc1cccc(c1)CC(=S)N H33031 [1,1,0,0,0,0|0,0,1]=3 485 B11R1.157 Cc1cccc(c1)NC(=O)N B20749 [1,1,0,0,0,0|1,0,1]=4 486 B11R1.157 c1cc(cc(c1)Cl)CC(=S)N H32426 [1,1,0,0,0,0|1,0,1]=4 487 B11R1.189 CNCc1cccc(c1)OC H54970 [1,1,0,0,0,0|2,0,0]=4 488 B11R1.189 COc1cccc(c1)CC#N A14317 [1,1,0,0,0,0|0,0,2]=4 489 B11R1.189 COc1cccc(c1)CCN H64494 [1,1,0,0,0,0|0,0,0]=2 490 B11R1.192 c1cc(c(cc1CCN)O)O A11136 [1,1,0,0,0,0|1,0,0]=3 491 B11R1.192 c1cc(c(cc1CCO)Cl)F H32291 [1,1,0,0,0,0|2,0,0]=4 492 B11R1.192 c1cc(c(cc1CCO)F)F H31710 [1,1,0,0,0,0|2,0,0]=4 493 B11R1.8 c1c(cc(c(c1CN)F)F)F H26469 [1,1,0,0,0,0|2,0,0]=4 494 B11R1.37 CCc1c(nc(cn1)C)CC A15686 [1,1,0,0,0,0|2,0,0]=4 495 B11R1.37 COc1cc(ccc1CN)F H26796 [1,1,0,0,0,0|2,0,0]=4 496 B11R1.37 COc1cc(ccc1CN)F H51153 [1,1,0,0,0,0|2,0,0]=4 497 B11R1.37 COc1cc(ccc1CO)Br H27339 [1,1,0,0,0,0|2,0,0]=4 498 B11R1.37 COc1cc(ccc1CO)Cl H27562 [1,1,0,0,0,0|2,0,0]=4 499 B11R1.37 COc1ccc(cc1CBr)F H25957 [1,1,0,0,0,0|2,0,0]=4 500 B11R1.37 COc1ccc(cc1CN)F H32897 [1,1,0,0,0,0|1,0,0]=3 501 B11R1.37 COc1ccc(cc1CO)F H32256 [1,1,0,0,0,0|2,0,0]=4 502 B11R1.37 COc1ccc(cc1OC)Br A11133 [1,1,0,0,0,0|2,0,0]=4 503 B11R1.37 COc1ccc(cc1OC)F A17936 [1,1,0,0,0,0|2,0,0]=4 504 B11R1.37 COc1ccc(cc1OC)N A13548 [1,1,0,0,0,0|2,0,0]=4 505 B11R1.37 COc1ccc(cc1OC)O A11344 [1,1,0,0,0,0|2,0,0]=4 506 B11R1.37 COc1ccc(cc1OC)S A14745 [1,1,0,0,0,0|2,0,0]=4 507 B11R1.37 COc1ccc(cc1OC)[Mg+] H54654 [1,1,0,0,0,0|2,0,0]=4 508 B11R1.37 Cc1ccc(c(c1)OC)OC A15558 [1,1,0,0,0,0|1,0,0]=3 509 B11R1.72 Cc1ccc(c(c1Cl)CBr)F H26632 [1,1,0,0,0,0|2,0,0]=4 510 B11R1.72 Cc1ccc(c(c1Cl)CN)F H26428 [1,1,0,0,0,0|1,0,0]=3 511 B11R1.72 Cc1ccc(c(c1Cl)CO)F L19148 [1,1,0,0,0,0|2,0,0]=4 512 B11R1.72 Cc1ccc(c(c1Cl)OC)F H26596 [1,1,0,0,0,0|2,0,0]=4 513 B11R1.72 Cc1ccc(c(c1F)CBr)Cl H26340 [1,1,0,0,0,0|2,0,0]=4 514 B11R1.72 Cc1ccc(c(c1F)CBr)F H26861 [1,1,0,0,0,0|2,0,0]=4 515 B11R1.72 Cc1ccc(c(c1F)CN)Cl H26493 [1,1,0,0,0,0|1,0,0]=3 516 B11R1.72 Cc1ccc(c(c1F)CN)F H26506 [1,1,0,0,0,0|1,0,0]=3 517 B11R1.72 Cc1ccc(c(c1F)CO)Cl L19113 [1,1,0,0,0,0|2,0,0]=4 518 B11R1.72 Cc1ccc(c(c1F)OC)Cl H26579 [1,1,0,0,0,0|2,0,0]=4 519 B11R1.72 Cc1ccc(c(c1F)OC)F H26722 [1,1,0,0,0,0|2,0,0]=4 520 B11R1.72 c1cc(c(c(c1Cl)CN)F)Cl H32132 [1,1,0,0,0,0|2,0,0]=4 521 B11R1.72 c1cc(c(c(c1F)CN)Cl)Cl H26424 [1,1,0,0,0,0|2,0,0]=4 522 B11R1.72 c1cc(c(c(c1F)CN)Cl)F L19140 [1,1,0,0,0,0|2,0,0]=4 523 B11R1.72 c1cc(c(c(c1F)CN)F)F H26386 [1,1,0,0,0,0|2,0,0]=4 524 B11R1.72 c1cc(c(c(c1F)F)CN)Cl H34097 [1,1,0,0,0,0|2,0,0]=4 525 B11R1.167 B(c1cc(ccc1C)C)(O)O B23740 [1,1,0,0,0,0|2,0,0]=4 526 B11R1.167 CC(c1cc(ccc1F)Cl)O H31600 [1,1,0,0,0,0|2,0,0]=4 527 B11R1.167 Cc1ccc(c(c1)C(=O)C)C A11432 [1,1,0,0,0,0|0,0,1]=3 528 B11R1.167 Cc1ccc(c(c1)C(=O)C)F H26575 [1,1,0,0,0,0|1,0,1]=4 529 B11R1.167 Cc1ccc(c(c1)C(=O)C)O A13136 [1,1,0,0,0,0|1,0,1]=4 530 B11R1.167 Cc1ccc(c(c1)C(=O)O)C A15352 [1,1,0,0,0,0|1,0,1]=4 531 B11R1.167 Cc1ccc(c(c1)C(C)O)C H32827 [1,1,0,0,0,0|0,0,0]=2 532 B11R1.167 Cc1ccc(cc1C(=O)C)F H26819 [1,1,0,0,0,0|1,0,1]=4 533 B11R1.167 Cc1ccc(cc1C(=S)N)F H33362 [1,1,0,0,0,0|1,0,1]=4 534 B11R1.277 c1c(c(cc(c1F)Cl)Cl)CN H26581 [1,1,0,0,0,0|2,0,0]=4 535 B11R1.277 c1c(c(cc(c1F)F)Cl)CN H26416 [1,1,0,0,0,0|2,0,0]=4 536 B11R1.277 c1c(c(cc(c1F)F)F)CN H26611 [1,1,0,0,0,0|2,0,0]=4 537 B11R1.280 CCc1cc(ccc1N)C#N L10732 [1,1,0,0,0,0|1,0,1]=4 538 B11R1.280 CCc1ccc(c(c1)OC)O A14239 [1,1,0,0,0,0|2,0,0]=4 539 B11R1.280 COc1cc(ccc1F)CO H31897 [1,1,0,0,0,0|2,0,0]=4 540 B11R1.280 COc1cc(ccc1O)CN B20637 [1,1,0,0,0,0|2,0,0]=4 541 B11R1.280 COc1cc(ccc1O)CO A15160 [1,1,0,0,0,0|2,0,0]=4 542 B11R1.280 COc1ccc(c(c1)CBr)Br H64963 [1,1,0,0,0,0|2,0,0]=4 543 B11R1.280 COc1ccc(c(c1)OC)Br A14439 [1,1,0,0,0,0|2,0,0]=4 544 B11R1.280 COc1ccc(c(c1)OC)F H63528 [1,1,0,0,0,0|2,0,0]=4 545 B11R1.280 COc1ccc(c(c1)OC)I L19420 [1,1,0,0,0,0|2,0,0]=4 546 B11R1.280 COc1ccc(c(c1)OC)N A13943 [1,1,0,0,0,0|2,0,0]=4 547 B11R1.280 COc1ccc(c(c1)OC)[Mg+] H54816 [1,1,0,0,0,0|2,0,0]=4 548 B13R1.3089 Cc1ccc(c(c1)NC(=S)N)OC L12101 [0,2,0,0,0,0|1,0,1]=4 549 B13R1.355 COc1ccc(c(c1)CCN)OC H60964 [0,2,0,0,0,0|0,0,0]=2 550 B13R1.893 Cc1ccc(c(c1)CCC(=O)O)F H32872 [0,2,0,0,0,0|2,0,0]=4 551 B13R1.893 Cc1ccc(c(c1)OCC(=O)O)C L01176 [0,2,0,0,0,0|1,0,1]=4 552 B13R1.893 Cc1ccc(cc1CCC(=O)O)F H32947 [0,2,0,0,0,0|2,0,0]=4 553 B11R2.10 c1ccc2c(c1)CC(=O)C2 A12574 [1,0,0,1,0,0|1,0,1]=4 554 B11R2.10 c1ccc2c(c1)CC(C2)N H31023 [1,0,0,1,0,0|0,0,0]=2 555 B11R2.10 c1ccc2c(c1)CC(C2)N L14083 [1,0,0,1,0,0|0,0,0]=2 556 B11R2.10 c1ccc2c(c1)CC(C2)O L01766 [1,0,0,1,0,0|1,0,0]=3 557 B11R2.20 c1ccc2c(c1)CCC=C2 L11430 [1,0,0,1,0,0|1,0,1]=4 558 B11R2.20 c1ccc2c(c1)CCCC2 A14962 [1,0,0,1,0,0|1,0,0]=3 559 B11R2.20 c1ccc2c(c1)CCCN2 B22750 [1,0,0,1,0,0|2,0,0]=4 560 B11R2.20 c1ccc2c(c1)CCNC2 L08143 [1,0,0,1,0,0|0,0,0]=2 561 B11R2.20 c1ccc2c(c1)CCOC2 A12566 [1,0,0,1,0,0|1,0,0]=3 562 B11R2.106 Cc1cccc2c1cn[nH]2 H37039 [1,0,0,1,0,0|1,0,1]=4 563 B11R2.36 Cc1ccc2c(c1)cc[nH]2 L06893 [1,0,0,1,0,0|0,0,2]=4 564 B11R2.36 Cc1ccc2c(c1)cn[nH]2 H31828 [1,0,0,1,0,0|1,0,1]=4 565 B11R2.36 Cc1ccc2c(c1)nc[nH]2 A15957 [1,0,0,1,0,0|1,0,1]=4 566 B11R2.36 Cc1ccc2c(c1)nn[nH]2 A10615 [1,0,0,1,0,0|2,0,0]=4 567 B11R2.36 c1cc2c(cc1Br)CCN2 L16992 [1,0,0,1,0,0|1,0,0]=3 568 B11R2.36 c1cc2c(cc1F)CCN2 H54158 [1,0,0,1,0,0|1,0,0]=3 569 B11R2.36 c1cc2c(cc1N)CCC2 L02504 [1,0,0,1,0,0|2,0,0]=4 570 B11R2.36 c1cc2c(cc1N)CCO2 H33344 [1,0,0,1,0,0|2,0,0]=4 571 B11R2.36 c1cc2c(cc1O)CCC2 L01623 [1,0,0,1,0,0|2,0,0]=4 572 B13R2.57 COc1ccc2c(c1)CCCN2 H63002 [0,1,0,1,0,0|2,0,0]=4 573 B13R2.57 COc1ccc2c(c1)CCNC2 H31910 [0,1,0,1,0,0|0,0,0]=2