0 B11R1.167 B(c1cc(ccc1C)C)(O)O LS10937 [0,0,0,0,0,0|3,0,1]=4 1 B11R1.167 B(c1cc(ccc1F)C)(O)O LS10983 [0,0,0,0,0,0|3,0,1]=4 2 B11R1.167 B(c1cc(ccc1O)Cl)(O)O LS11049 [0,0,0,0,0,0|3,0,1]=4 3 B11R1.167 B(c1cc(ccc1O)F)(O)O LS11052 [0,0,0,0,0,0|3,0,1]=4 4 B11R1.167 CC(=O)c1cc(ccc1Br)Cl LS11579 [0,0,0,0,0,0|2,0,0]=2 5 B11R1.167 CC(=O)c1cc(ccc1Br)F LS10365 [0,0,0,0,0,0|2,0,0]=2 6 B11R1.167 CC(=O)c1cc(ccc1F)Br LS10106 [0,0,0,0,0,0|2,0,0]=2 7 B11R1.167 CC(=O)c1cc(ccc1I)F LS10113 [0,0,0,0,0,0|2,0,0]=2 8 B11R1.167 CC(=O)c1cc(ccc1O)O LS11715 [0,0,0,0,0,0|1,0,0]=1 9 B11R1.167 Cc1ccc(c(c1)C(=O)O)I LS10696 [0,0,0,0,0,0|2,0,0]=2 10 B11R1.167 Cc1ccc(cc1C(=O)O)Br LS10562 [0,0,0,0,0,0|3,0,0]=3 11 B11R1.167 Cc1ccc(cc1C(=O)O)F LS10582 [0,0,0,0,0,0|3,0,0]=3 12 B11R1.167 Cc1ccc(cc1C(=O)O)I LS11399 [0,0,0,0,0,0|3,0,0]=3 13 B11R1.167 Cc1ccc(cc1[N+](=O)[O-])Cl LS10692 [0,0,0,0,0,0|4,0,0]=4 14 B11R1.167 Cc1ccc(cc1[N+](=O)[O-])O LS10704 [0,0,0,0,0,0|4,0,0]=4 15 B11R1.167 c1c(c(cnc1F)F)C(=O)O LS20887 [0,0,0,0,0,0|4,0,0]=4 16 B11R1.167 c1c(cnc(c1C(=O)O)Cl)Br LS20228 [0,0,0,0,0,0|4,0,0]=4 17 B11R1.167 c1c(cnc(c1C(=O)O)Cl)Cl LS20422 [0,0,0,0,0,0|4,0,0]=4 18 B11R1.167 c1c(cnc(c1C(=O)O)O)Br LS20421 [0,0,0,0,0,0|3,0,0]=3 19 B11R1.167 c1c(cnc(c1[N+](=O)[O-])O)Br LS20545 [0,0,0,0,0,0|4,0,0]=4 20 B11R1.167 c1c(cnc(c1[N+](=O)[O-])O)Cl LS20337 [0,0,0,0,0,0|4,0,0]=4 21 B11R1.167 c1c(cnc(c1[N+](=O)[O-])O)F LS20419 [0,0,0,0,0,0|4,0,0]=4 22 B11R1.167 c1cc(c(cc1Br)C(=O)N)N LS11489 [0,0,0,0,0,0|3,0,0]=3 23 B11R1.167 c1cc(c(cc1Br)C(=O)O)Cl LS11201 [0,0,0,0,0,0|3,0,0]=3 24 B11R1.167 c1cc(c(cc1Br)C(=O)O)F LS10585 [0,0,0,0,0,0|3,0,0]=3 25 B11R1.167 c1cc(c(cc1Br)C(=O)O)N LS10708 [0,0,0,0,0,0|3,0,0]=3 26 B11R1.167 c1cc(c(cc1Br)[N+](=O)[O-])N LS10329 [0,0,0,0,0,0|4,0,0]=4 27 B11R1.167 c1cc(c(cc1Cl)C(=O)N)N LS10559 [0,0,0,0,0,0|3,0,0]=3 28 B11R1.167 c1cc(c(cc1Cl)C(=O)N)O LS10567 [0,0,0,0,0,0|2,0,0]=2 29 B11R1.167 c1cc(c(cc1Cl)C(=O)O)Cl LS11832 [0,0,0,0,0,0|3,0,0]=3 30 B11R1.167 c1cc(c(cc1Cl)C(=O)O)N LS10348 [0,0,0,0,0,0|3,0,0]=3 31 B11R1.167 c1cc(c(cc1Cl)C(=O)O)O LS11420 [0,0,0,0,0,0|2,0,0]=2 32 B11R1.167 c1cc(c(cc1Cl)[N+](=O)[O-])Br LS10345 [0,0,0,0,0,0|4,0,0]=4 33 B11R1.167 c1cc(c(cc1F)C(=O)N)N LS11474 [0,0,0,0,0,0|3,0,0]=3 34 B11R1.167 c1cc(c(cc1F)C(=O)O)F LS11164 [0,0,0,0,0,0|3,0,0]=3 35 B11R1.167 c1cc(c(cc1F)C(=O)O)N LS11464 [0,0,0,0,0,0|3,0,0]=3 36 B11R1.167 c1cc(c(cc1F)C(=O)O)O LS10523 [0,0,0,0,0,0|2,0,0]=2 37 B11R1.167 c1cc(c(cc1F)C(=O)[O-])F LS11165 [0,0,0,0,0,0|3,0,0]=3 38 B11R1.167 c1cc(c(cc1I)[N+](=O)[O-])I LS10074 [0,0,0,0,0,0|4,0,0]=4 39 B11R1.167 c1cc(c(cc1N)C(=O)O)O LS11426 [0,0,0,0,0,0|2,0,0]=2 40 B11R1.167 c1cc(c(cc1O)C(=O)O)F LS10475 [0,0,0,0,0,0|3,0,0]=3 41 B11R1.167 c1cc(c(cc1O)[N+](=O)[O-])F LS10130 [0,0,0,0,0,0|4,0,0]=4 42 B11R1.167 c1cc(c(cc1O)[N+](=O)[O-])N LS10710 [0,0,0,0,0,0|4,0,0]=4 43 B11R1.167 c1cc(nc(c1F)C(=O)O)Cl LS20461 [0,0,0,0,0,0|4,0,0]=4 44 B11R1.167 c1cc(nc(c1O)[N+](=O)[O-])Br LS20714 [0,0,0,0,0,0|4,0,0]=4 45 B10R1.30 CCc1cc(ccc1Cl)O LS10481 [1,0,0,0,0,0|2,0,1]=4 46 B10R1.30 COc1cc(ccc1Br)Br LS10232 [1,0,0,0,0,0|3,0,0]=4 47 B10R1.30 COc1cc(ccc1Cl)I LS10238 [1,0,0,0,0,0|3,0,0]=4 48 B10R1.30 COc1cc(ccc1F)F LS11368 [1,0,0,0,0,0|3,0,0]=4 49 B10R1.30 COc1cc(ccc1F)N LS10127 [1,0,0,0,0,0|3,0,0]=4 50 B10R1.30 COc1cc(ccc1F)O LS10037 [1,0,0,0,0,0|3,0,0]=4 51 B10R1.30 COc1cc(ccc1I)Cl LS10237 [1,0,0,0,0,0|3,0,0]=4 52 B10R1.30 COc1cc(ccc1N)Br LS10476 [1,0,0,0,0,0|3,0,0]=4 53 B10R1.30 COc1cc(ccc1N)I LS10552 [1,0,0,0,0,0|3,0,0]=4 54 B10R1.30 Cc1ccc(c(c1)C#N)F LS10446 [1,0,0,0,0,0|2,0,1]=4 55 B10R1.30 Cc1ccc(c(c1)C=O)Br LS10095 [1,0,0,0,0,0|1,0,0]=2 56 B10R1.30 Cc1ccc(c(c1)CN)C LS10226 [1,0,0,0,0,0|2,0,1]=4 57 B10R1.30 Cc1ccc(c(c1)OC)Br LS10017 [1,0,0,0,0,0|2,0,0]=3 58 B10R1.30 Cc1ccc(c(n1)OC)Br LS20277 [1,0,0,0,0,0|3,0,0]=4 59 B10R1.30 c1c(cnc(c1C=O)F)Br LS20854 [1,0,0,0,0,0|3,0,0]=4 60 B10R1.30 c1cc(c(cc1Br)C=O)F LS10392 [1,0,0,0,0,0|2,0,0]=3 61 B10R1.30 c1cc(c(cc1Br)C=O)O LS10727 [1,0,0,0,0,0|1,0,0]=2 62 B10R1.30 c1cc(c(cc1Cl)C=O)N LS10227 [1,0,0,0,0,0|2,0,0]=3 63 B10R1.30 c1cc(c(cc1Cl)C=O)O LS11289 [1,0,0,0,0,0|1,0,0]=2 64 B10R1.30 c1cc(c(cc1F)C=O)Br LS10513 [1,0,0,0,0,0|2,0,0]=3 65 B10R1.30 c1cc(c(cc1F)C=O)O LS10505 [1,0,0,0,0,0|1,0,0]=2 66 B10R1.30 c1cc(c(cc1I)C=O)O LS11783 [1,0,0,0,0,0|1,0,0]=2 67 B10R1.30 c1cc(c(cc1O)C=O)F LS10101 [1,0,0,0,0,0|2,0,0]=3 68 B10R1.61 B(c1ccccc1O)(O)O LS10799 [1,0,0,0,0,0|2,0,1]=4 69 B10R1.61 CC(=O)c1ccccc1N LS10731 [1,0,0,0,0,0|1,0,0]=2 70 B10R1.61 CC(=O)c1ccccc1O LS10607 [1,0,0,0,0,0|0,0,0]=1 71 B10R1.61 CC(=O)c1cccnc1Cl LS20570 [1,0,0,0,0,0|2,0,0]=3 72 B10R1.61 CN(C)c1ccccc1Br LS10558 [1,0,0,0,0,0|3,0,0]=4 73 B10R1.61 CN(C)c1ccccc1Cl LS10168 [1,0,0,0,0,0|3,0,0]=4 74 B10R1.61 CN(C)c1ccccc1F LS10242 [1,0,0,0,0,0|3,0,0]=4 75 B10R1.61 C[C@H](c1ccccc1Cl)O LS30121 [1,0,0,0,0,0|1,0,2]=4 76 B10R1.61 Cc1c(cccn1)C(=O)N LS20770 [1,0,0,0,0,0|3,0,0]=4 77 B10R1.61 Cc1c(cccn1)C(=O)O LS20435 [1,0,0,0,0,0|3,0,0]=4 78 B10R1.61 Cc1ccccc1C(=O)O LS10119 [1,0,0,0,0,0|2,0,0]=3 79 B10R1.61 Cc1cccnc1C(=O)O LS20983 [1,0,0,0,0,0|3,0,0]=4 80 B10R1.61 c1cc(c(nc1)Br)C(=O)O LS20396 [1,0,0,0,0,0|3,0,0]=4 81 B10R1.61 c1cc(c(nc1)C(=O)O)F LS20394 [1,0,0,0,0,0|3,0,0]=4 82 B10R1.61 c1cc(c(nc1)C(=O)O)N LS00020 [1,0,0,0,0,0|3,0,0]=4 83 B10R1.61 c1cc(c(nc1)Cl)C(=O)O LS20665 [1,0,0,0,0,0|3,0,0]=4 84 B10R1.61 c1cc(c(nc1)N)C(=O)O LS20530 [1,0,0,0,0,0|3,0,0]=4 85 B10R1.61 c1cc(c(nc1)O)C(=O)O LS20423 [1,0,0,0,0,0|2,0,0]=3 86 B10R1.61 c1cc(c(nc1)S)C(=O)O LS20725 [1,0,0,0,0,0|2,1,0]=4 87 B10R1.61 c1cc(c(nc1)[N+](=O)[O-])O LS20836 [1,0,0,0,0,0|3,0,0]=4 88 B10R1.61 c1ccc(c(c1)C(=O)N)N LS11473 [1,0,0,0,0,0|2,0,0]=3 89 B10R1.61 c1ccc(c(c1)C(=O)O)Br LS10336 [1,0,0,0,0,0|2,0,0]=3 90 B10R1.61 c1ccc(c(c1)C(=O)O)Cl LS10675 [1,0,0,0,0,0|2,0,0]=3 91 B10R1.61 c1ccc(c(c1)C(=O)O)I LS00003 [1,0,0,0,0,0|2,0,0]=3 92 B10R1.61 c1ccc(c(c1)N)[N+](=O)[O-] LS11572 [1,0,0,0,0,0|3,0,0]=4 93 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])Br LS11477 [1,0,0,0,0,0|3,0,0]=4 94 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])I LS11476 [1,0,0,0,0,0|3,0,0]=4 95 B10R1.61 c1cnc(c(n1)C(=O)O)O LS20287 [1,0,0,0,0,0|3,0,0]=4 96 B10R1.61 c1cncc(c1C(=O)O)Br LS20726 [1,0,0,0,0,0|3,0,0]=4 97 B10R1.61 c1cncc(c1C(=O)O)F LS20409 [1,0,0,0,0,0|3,0,0]=4 98 B10R1.61 c1cncc(c1C(=O)O)N LS20439 [1,0,0,0,0,0|3,0,0]=4 99 B10R1.61 c1cncc(c1C(=O)O)O LS20035 [1,0,0,0,0,0|2,0,0]=3 100 B10R1.61 c1cncc(c1Cl)C(=O)O LS20834 [1,0,0,0,0,0|3,0,0]=4 101 B10R1.113 B(c1cccc(c1)C)(O)O LS10847 [1,0,0,0,0,0|2,0,1]=4 102 B10R1.113 CC(=O)c1cccc(c1)N LS11527 [1,0,0,0,0,0|1,0,0]=2 103 B10R1.113 CC(=O)c1cccc(n1)Br LS20488 [1,0,0,0,0,0|2,0,0]=3 104 B10R1.113 CN(C)c1cccc(c1)O LS11214 [1,0,0,0,0,0|3,0,0]=4 105 B10R1.113 Cc1ccnc(c1)C(=O)C LS21177 [1,0,0,0,0,0|1,0,0]=2 106 B10R1.113 c1c(cncc1Br)C(=O)O LS20729 [1,0,0,0,0,0|3,0,0]=4 107 B10R1.113 c1c(cncc1Cl)C(=O)O LS20728 [1,0,0,0,0,0|3,0,0]=4 108 B10R1.113 c1c(cncc1N)C(=O)O LS20110 [1,0,0,0,0,0|3,0,0]=4 109 B10R1.113 c1c(cncc1O)C(=O)O LS20727 [1,0,0,0,0,0|3,0,0]=4 110 B10R1.113 c1cc(cc(c1)Br)C(=N)N LS10543 [1,0,0,0,0,0|3,0,0]=4 111 B10R1.113 c1cc(cc(c1)O)[N+](=O)[O-] LS11800 [1,0,0,0,0,0|3,0,0]=4 112 B10R1.113 c1cc(nc(c1)Br)C(=O)O LS20438 [1,0,0,0,0,0|3,0,0]=4 113 B10R1.113 c1cc(nc(c1)Cl)C(=O)O LS20264 [1,0,0,0,0,0|3,0,0]=4 114 B10R1.113 c1cnc(cc1C(=O)O)Br LS20245 [1,0,0,0,0,0|3,0,0]=4 115 B10R1.113 c1cnc(cc1C(=O)O)Cl LS20583 [1,0,0,0,0,0|3,0,0]=4 116 B10R1.113 c1cnc(cc1C(=O)O)F LS20410 [1,0,0,0,0,0|3,0,0]=4 117 B10R1.113 c1cnc(cc1C(=O)O)N LS20627 [1,0,0,0,0,0|3,0,0]=4 118 B10R1.113 c1cnc(cc1C(=O)O)O LS20483 [1,0,0,0,0,0|3,0,0]=4 119 B10R1.113 c1cnc(cc1Cl)C(=O)N LS20263 [1,0,0,0,0,0|3,0,0]=4 120 B12R1.46 COc1c(cc(cn1)Br)C(=O)O LS20039 [0,1,0,0,0,0|3,0,0]=4 121 B12R1.46 COc1ccc(cc1C(=O)O)Cl LS10620 [0,1,0,0,0,0|2,0,0]=3 122 B12R1.46 COc1ccc(cc1C(=O)O)F LS10409 [0,1,0,0,0,0|2,0,0]=3 123 B12R1.46 COc1ccc(cc1[N+](=O)[O-])O LS10060 [0,1,0,0,0,0|3,0,0]=4 124 B12R1.128 c1cc(c(cc1O)S(=O)(=O)[O-])O LS40355 [0,1,0,0,0,0|3,0,0]=4 125 B12R1.128 c1cc(c(cc1O)S(=O)(=O)[O-])O LS40554 [0,1,0,0,0,0|3,0,0]=4 126 B12R1.232 Cc1cc(c(cc1Br)F)C(=O)O LS10525 [0,1,0,0,0,0|2,0,0]=3 127 B12R1.232 Cc1cc(c(cc1F)Br)C(=O)O LS10528 [0,1,0,0,0,0|2,0,0]=3 128 B12R1.232 Cc1cc(c(cc1F)C(=O)O)Br LS10526 [0,1,0,0,0,0|3,0,0]=4 129 B12R1.232 Cc1cc(c(cc1F)F)C(=O)O LS10201 [0,1,0,0,0,0|2,0,0]=3 130 B12R1.232 c1c(c(cc(c1Br)Cl)F)C(=O)O LS11501 [0,1,0,0,0,0|3,0,0]=4 131 B12R1.232 c1c(c(cc(c1Br)O)O)C(=O)O LS10163 [0,1,0,0,0,0|2,0,0]=3 132 B12R1.232 c1c(c(cc(c1Cl)Cl)N)C(=O)O LS10030 [0,1,0,0,0,0|3,0,0]=4 133 B12R1.232 c1c(c(cc(c1F)Br)Cl)C(=O)O LS10529 [0,1,0,0,0,0|3,0,0]=4 134 B12R1.232 c1c(c(cc(c1F)Cl)Cl)C(=O)O LS10531 [0,1,0,0,0,0|3,0,0]=4 135 B12R1.232 c1c(c(cc(c1F)F)F)C(=O)O LS11174 [0,1,0,0,0,0|3,0,0]=4 136 B12R1.354 COC(=O)c1cc(ccc1Br)F LS11833 [0,1,0,0,0,0|2,0,0]=3 137 B12R1.354 COC(=O)c1cc(ccc1I)Br LS10771 [0,1,0,0,0,0|2,0,0]=3 138 B12R1.354 COC(=O)c1cc(ccc1N)Cl LS10357 [0,1,0,0,0,0|2,0,0]=3 139 B12R1.354 COC(=O)c1cc(ccc1O)Cl LS10755 [0,1,0,0,0,0|1,0,0]=2 140 B12R1.354 Cc1ccc(c(c1)C(=O)OC)I LS10697 [0,1,0,0,0,0|1,0,0]=2 141 B12R1.354 Cc1ccc(cc1C(=O)OC)Br LS10769 [0,1,0,0,0,0|2,0,0]=3 142 B12R1.453 COc1ccc(c(c1)C(=O)O)N LS11463 [0,1,0,0,0,0|2,0,0]=3 143 B12R1.453 COc1ccc(c(c1)C(=O)O)O LS11288 [0,1,0,0,0,0|1,0,0]=2 144 B12R1.453 COc1ccc(c(c1)[N+](=O)[O-])Br LS10762 [0,1,0,0,0,0|3,0,0]=4 145 B12R1.453 COc1ccc(c(c1)[N+](=O)[O-])Cl LS10413 [0,1,0,0,0,0|3,0,0]=4 146 B12R1.453 c1cc(c(cc1C#N)[N+](=O)[O-])O LS10166 [0,1,0,0,0,0|2,0,1]=4 147 B12R1.453 c1cc(c(cc1C=O)C(=O)O)O LS10658 [0,1,0,0,0,0|1,0,1]=3 148 B12R1.511 Cc1cc(c(c(c1)C(=O)O)N)C LS11350 [0,1,0,0,0,0|2,0,0]=3 149 B12R1.511 Cc1cc(cc(c1N)C(=O)O)Cl LS11466 [0,1,0,0,0,0|3,0,0]=4 150 B12R1.511 c1c(cc(c(c1C(=O)O)Br)F)F LS10245 [0,1,0,0,0,0|3,0,0]=4 151 B12R1.511 c1c(cc(c(c1C(=O)O)Cl)F)F LS11780 [0,1,0,0,0,0|3,0,0]=4 152 B12R1.511 c1c(cc(c(c1C(=O)O)O)Cl)Cl LS11872 [0,1,0,0,0,0|2,0,0]=3 153 B12R1.511 c1c(cc(c(c1C(=O)O)O)I)I LS11419 [0,1,0,0,0,0|2,0,0]=3 154 B12R1.511 c1c(cc(c(c1C(=O)O)O)N)N LS10764 [0,1,0,0,0,0|2,0,0]=3 155 B12R1.894 c1cc(c(c(c1Cl)C(=O)O)N)Cl LS11461 [0,1,0,0,0,0|3,0,0]=4 156 B12R1.894 c1cc(c(c(c1N)F)C(=O)O)F LS10203 [0,1,0,0,0,0|3,0,0]=4 157 B12R2.132 Cc1c2cc(ccc2[nH]n1)Br LS20149 [0,0,0,1,0,0|3,0,0]=4 158 B12R1.127 Cc1ccc(c(c1)CC(=O)O)C LS10689 [0,0,0,0,0,1|2,0,0]=3 159 B9R1.2 C=Cc1cccc(c1)Br LS11651 [2,0,0,0,0,0|1,0,1]=4 160 B9R1.2 C=Cc1cccc(c1)Cl LS11652 [2,0,0,0,0,0|1,0,1]=4 161 B9R1.2 C=Cc1cccc(c1)F LS11648 [2,0,0,0,0,0|1,0,1]=4 162 B9R1.2 CNc1cccc(c1)Cl LS10187 [2,0,0,0,0,0|2,0,0]=4 163 B9R1.2 Cc1cccc(c1)C=O LS11853 [2,0,0,0,0,0|0,0,0]=2 164 B9R1.2 Cc1cccc(c1)CBr LS11263 [2,0,0,0,0,0|1,0,1]=4 165 B9R1.2 Cc1cccc(c1)CCl LS11215 [2,0,0,0,0,0|1,0,1]=4 166 B9R1.2 Cc1cccc(c1)CN LS11219 [2,0,0,0,0,0|1,0,1]=4 167 B9R1.2 c1c(cncc1Br)C=O LS20038 [2,0,0,0,0,0|2,0,0]=4 168 B9R1.2 c1cc(cc(c1)I)C=O LS10324 [2,0,0,0,0,0|1,0,0]=3 169 B9R1.2 c1cc(cc(c1)O)C=O LS10593 [2,0,0,0,0,0|1,0,0]=3 170 B9R1.2 c1cc(nc(c1)Cl)C=O LS20219 [2,0,0,0,0,0|2,0,0]=4 171 B9R1.15 C=Cc1ccccc1Br LS11653 [2,0,0,0,0,0|1,0,1]=4 172 B9R1.15 C=Cc1ccccc1Cl LS11654 [2,0,0,0,0,0|1,0,1]=4 173 B9R1.15 C=Cc1ccccc1F LS11647 [2,0,0,0,0,0|1,0,1]=4 174 B9R1.15 CNc1ccccc1Br LS11478 [2,0,0,0,0,0|2,0,0]=4 175 B9R1.15 CNc1ccccc1F LS10646 [2,0,0,0,0,0|2,0,0]=4 176 B9R1.15 CSc1ccccc1Br LS11369 [2,0,0,0,0,0|2,0,0]=4 177 B9R1.15 Cc1ccccc1C=O LS11852 [2,0,0,0,0,0|1,0,0]=3 178 B9R1.15 c1cc(c(nc1)C=O)O LS20166 [2,0,0,0,0,0|1,0,0]=3 179 B9R1.15 c1cc(c(nc1)Cl)C=O LS20395 [2,0,0,0,0,0|2,0,0]=4 180 B9R1.15 c1cc(c(nc1)N)C=O LS41434 [2,0,0,0,0,0|2,0,0]=4 181 B9R1.15 c1cc(c(nc1)O)C=O LS21175 [2,0,0,0,0,0|1,0,0]=3 182 B9R1.15 c1ccc(c(c1)C#N)O LS10639 [2,0,0,0,0,0|1,0,1]=4 183 B9R1.15 c1ccc(c(c1)C=O)N LS10114 [2,0,0,0,0,0|1,0,0]=3 184 B9R1.15 c1cncc(c1C=O)Br LS20109 [2,0,0,0,0,0|2,0,0]=4 185 B9R1.69 Cc1cc(c(nc1)Br)C LS20029 [2,0,0,0,0,0|2,0,0]=4 186 B9R1.69 Cc1cc(c(nc1)C)C LS20056 [2,0,0,0,0,0|2,0,0]=4 187 B9R1.69 Cc1cc(ccc1Br)F LS10433 [2,0,0,0,0,0|2,0,0]=4 188 B9R1.69 Cc1cc(ccc1Br)O LS10569 [2,0,0,0,0,0|2,0,0]=4 189 B9R1.69 Cc1cc(ccc1Cl)I LS10339 [2,0,0,0,0,0|2,0,0]=4 190 B9R1.69 Cc1cc(ccc1F)N LS10454 [2,0,0,0,0,0|2,0,0]=4 191 B9R1.69 Cc1cc(ccc1O)Br LS10229 [2,0,0,0,0,0|1,0,0]=3 192 B9R1.69 Cc1cc(ccc1O)Cl LS10662 [2,0,0,0,0,0|1,0,0]=3 193 B9R1.69 Cc1cc(cnc1O)Br LS20335 [2,0,0,0,0,0|2,0,0]=4 194 B9R1.69 Cc1ccc(c(c1)Br)F LS10435 [2,0,0,0,0,0|2,0,0]=4 195 B9R1.69 Cc1ccc(c(c1)Br)O LS11738 [2,0,0,0,0,0|1,0,0]=3 196 B9R1.69 Cc1ccc(c(c1)Cl)C LS11676 [2,0,0,0,0,0|2,0,0]=4 197 B9R1.69 Cc1ccc(c(c1)F)Br LS10432 [2,0,0,0,0,0|2,0,0]=4 198 B9R1.69 Cc1ccc(c(c1)F)F LS10430 [2,0,0,0,0,0|2,0,0]=4 199 B9R1.69 Cc1ccc(c(c1)N)Br LS10019 [2,0,0,0,0,0|2,0,0]=4 200 B9R1.69 Cc1ccc(c(c1)N)I LS10064 [2,0,0,0,0,0|2,0,0]=4 201 B9R1.69 Cc1ccc(c(c1)O)Br LS11750 [2,0,0,0,0,0|1,0,1]=4 202 B9R1.69 c1cc(c(cc1Br)Br)O LS11451 [2,0,0,0,0,0|2,0,0]=4 203 B9R1.69 c1cc(c(cc1Br)N)O LS10615 [2,0,0,0,0,0|2,0,0]=4 204 B9R1.69 c1cc(c(cc1Cl)Br)O LS11737 [2,0,0,0,0,0|2,0,0]=4 205 B9R1.69 c1cc(c(cc1Cl)N)O LS10668 [2,0,0,0,0,0|2,0,0]=4 206 B9R1.69 c1cc(c(cc1F)Br)O LS10461 [2,0,0,0,0,0|2,0,0]=4 207 B9R1.69 c1cc(c(cc1F)N)O LS10399 [2,0,0,0,0,0|2,0,0]=4 208 B9R1.69 c1cc(c(cc1O)Br)O LS11757 [2,0,0,0,0,0|2,0,0]=4 209 B9R1.69 c1cc(c(cc1O)F)O LS00052 [2,0,0,0,0,0|2,0,0]=4 210 B9R1.6 CC(=O)c1cccnc1 LS20960 [2,0,0,0,0,0|1,0,0]=3 211 B9R1.6 C[C@@H](c1ccccc1)N LS30171 [2,0,0,0,0,0|1,0,1]=4 212 B9R1.6 C[C@H](c1ccccc1)N LS30099 [2,0,0,0,0,0|1,0,1]=4 213 B9R1.6 c1ccc(cc1)C(=N)N LS10719 [2,0,0,0,0,0|2,0,0]=4 214 B9R1.6 c1ccc(cc1)C(=O)O LS41489 [2,0,0,0,0,0|1,0,0]=3 215 B9R1.6 c1ccc(cc1)C(=S)N LS10766 [2,0,0,0,0,0|1,1,0]=4 216 B11R1.8 c1c(cc(c(c1C=O)F)Br)Br LS10208 [1,1,0,0,0,0|2,0,0]=4 217 B11R1.8 c1c(cc(c(c1C=O)O)Cl)Cl LS10041 [1,1,0,0,0,0|1,0,0]=3 218 B11R1.37 COc1ccc(cc1C=O)Cl LS10412 [1,1,0,0,0,0|1,0,0]=3 219 B11R1.72 c1cc(c(c(c1F)Cl)C=O)Cl LS10053 [1,1,0,0,0,0|2,0,0]=4 220 B11R1.277 Cc1cc(c(cc1Br)F)C=O LS10510 [1,1,0,0,0,0|1,0,0]=3 221 B11R1.277 Cc1cc(c(cc1F)Br)C=O LS10656 [1,1,0,0,0,0|1,0,0]=3 222 B11R1.277 Cc1cc(c(cc1O)C)C=O LS10195 [1,1,0,0,0,0|1,0,0]=3 223 B11R1.277 c1c(c(cc(c1F)Cl)Cl)C=O LS10389 [1,1,0,0,0,0|2,0,0]=4 224 B11R1.277 c1c(c(cc(c1F)F)F)C=O LS10496 [1,1,0,0,0,0|2,0,0]=4 225 B11R1.277 c1c(c(cc(c1F)F)O)C=O LS10186 [1,1,0,0,0,0|1,0,0]=3 226 B11R1.280 COc1cc(ccc1O)C#N LS11702 [1,1,0,0,0,0|1,0,1]=4 227 B11R1.280 COc1cc(ccc1O)CN LS11401 [1,1,0,0,0,0|1,0,0]=3 228 B11R1.280 c1cc(c(cc1C#N)C=O)F LS10390 [1,1,0,0,0,0|1,0,1]=4 229 B11R1.53 COc1ccccc1C(=O)Cl LS11458 [1,1,0,0,0,0|1,0,0]=3 230 B11R1.53 COc1ccccc1C(=O)O LS11456 [1,1,0,0,0,0|1,0,0]=3 231 B11R1.156 CC(=O)c1c(cccc1Br)F LS11304 [1,1,0,0,0,0|1,0,0]=3 232 B11R1.156 CC(=O)c1c(cccc1F)F LS11166 [1,1,0,0,0,0|1,0,0]=3 233 B11R1.156 Cc1cccc(c1C(=O)O)O LS10070 [1,1,0,0,0,0|1,0,0]=3 234 B11R1.156 c1cc(c(c(c1)Br)C(=O)O)Cl LS10321 [1,1,0,0,0,0|2,0,0]=4 235 B11R1.156 c1cc(c(c(c1)Br)C(=O)O)F LS11335 [1,1,0,0,0,0|2,0,0]=4 236 B11R1.156 c1cc(c(c(c1)Br)C(=O)O)N LS10138 [1,1,0,0,0,0|2,0,0]=4 237 B11R1.156 c1cc(c(c(c1)Cl)C(=O)Cl)Cl LS11443 [1,1,0,0,0,0|2,0,0]=4 238 B11R1.156 c1cc(c(c(c1)Cl)C(=O)O)Cl LS11437 [1,1,0,0,0,0|2,0,0]=4 239 B11R1.156 c1cc(c(c(c1)Cl)C(=O)O)N LS11434 [1,1,0,0,0,0|2,0,0]=4 240 B11R1.156 c1cc(c(c(c1)F)C(=O)O)N LS10583 [1,1,0,0,0,0|2,0,0]=4 241 B11R1.156 c1cc(c(c(c1)F)C(=O)O)O LS10249 [1,1,0,0,0,0|1,0,0]=3 242 B11R1.159 CC(=O)c1cccc(c1F)Br LS10318 [1,1,0,0,0,0|1,0,0]=3 243 B11R1.159 Cc1c(cccc1F)C(=O)O LS10580 [1,1,0,0,0,0|2,0,0]=4 244 B11R1.159 Cc1c(cccc1I)C(=O)O LS10045 [1,1,0,0,0,0|2,0,0]=4 245 B11R1.159 Cc1cccc(c1C)C(=O)O LS11825 [1,1,0,0,0,0|2,0,0]=4 246 B11R1.159 Cc1cccc(c1I)C(=O)O LS10145 [1,1,0,0,0,0|2,0,0]=4 247 B11R1.159 Cc1cccc(c1N)C(=O)O LS11462 [1,1,0,0,0,0|2,0,0]=4 248 B11R1.159 c1cc(c(c(c1)Br)F)C(=O)O LS10579 [1,1,0,0,0,0|2,0,0]=4 249 B11R1.159 c1cc(c(c(c1)Br)N)C(=O)N LS11488 [1,1,0,0,0,0|2,0,0]=4 250 B11R1.159 c1cc(c(c(c1)Br)N)C(=O)O LS11484 [1,1,0,0,0,0|2,0,0]=4 251 B11R1.159 c1cc(c(c(c1)Br)O)[N+](=O)[O-] LS10741 [1,1,0,0,0,0|2,0,0]=4 252 B11R1.159 c1cc(c(c(c1)Cl)Cl)C(=O)O LS11460 [1,1,0,0,0,0|2,0,0]=4 253 B11R1.159 c1cc(c(c(c1)Cl)F)C(=O)O LS11404 [1,1,0,0,0,0|2,0,0]=4 254 B11R1.159 c1cc(c(c(c1)Cl)N)C(=O)O LS11486 [1,1,0,0,0,0|2,0,0]=4 255 B11R1.159 c1cc(c(c(c1)F)Br)C(=O)O LS10584 [1,1,0,0,0,0|2,0,0]=4 256 B11R1.159 c1cc(c(c(c1)F)F)C(=O)O LS11162 [1,1,0,0,0,0|2,0,0]=4 257 B11R1.159 c1cc(c(c(c1)F)N)C(=O)O LS11485 [1,1,0,0,0,0|2,0,0]=4 258 B11R1.159 c1cc(c(c(c1)I)F)C(=O)O LS10522 [1,1,0,0,0,0|2,0,0]=4 259 B11R1.159 c1cc(c(c(c1)N)F)C(=O)O LS10012 [1,1,0,0,0,0|2,0,0]=4 260 B11R1.159 c1cc(c(c(c1)N)N)C(=O)N LS11444 [1,1,0,0,0,0|2,0,0]=4 261 B11R1.159 c1cc(c(c(c1)N)N)C(=O)O LS11459 [1,1,0,0,0,0|2,0,0]=4 262 B11R1.159 c1cc(c(c(c1)O)O)C(=O)O LS10681 [1,1,0,0,0,0|1,0,0]=3 263 B11R1.166 CC(=O)c1ccc(cc1Cl)Br LS10361 [1,1,0,0,0,0|1,0,0]=3 264 B11R1.166 CC(=O)c1ccc(cc1F)Cl LS10306 [1,1,0,0,0,0|1,0,0]=3 265 B11R1.166 CC(=O)c1ccc(cc1O)F LS10126 [1,1,0,0,0,0|0,0,0]=2 266 B11R1.166 Cc1cc(ccc1C(=O)O)F LS10581 [1,1,0,0,0,0|2,0,0]=4 267 B11R1.166 Cc1ccc(c(c1)F)C(=O)O LS10521 [1,1,0,0,0,0|2,0,0]=4 268 B11R1.166 c1cc(c(cc1Br)Br)C(=O)O LS10326 [1,1,0,0,0,0|2,0,0]=4 269 B11R1.166 c1cc(c(cc1Br)Cl)C(=O)O LS10346 [1,1,0,0,0,0|2,0,0]=4 270 B11R1.166 c1cc(c(cc1Br)F)C(=O)O LS10691 [1,1,0,0,0,0|2,0,0]=4 271 B11R1.166 c1cc(c(cc1Br)N)C(=O)O LS11470 [1,1,0,0,0,0|2,0,0]=4 272 B11R1.166 c1cc(c(cc1Cl)Cl)C(=O)O LS10673 [1,1,0,0,0,0|2,0,0]=4 273 B11R1.166 c1cc(c(cc1Cl)N)C(=O)N LS10587 [1,1,0,0,0,0|2,0,0]=4 274 B11R1.166 c1cc(c(cc1Cl)N)C(=O)O LS11433 [1,1,0,0,0,0|2,0,0]=4 275 B11R1.166 c1cc(c(cc1Cl)O)C(=O)O LS10716 [1,1,0,0,0,0|1,0,0]=3 276 B11R1.166 c1cc(c(cc1F)F)C(=O)[O-] LS11163 [1,1,0,0,0,0|2,0,0]=4 277 B11R1.166 c1cc(c(cc1F)N)C(=O)O LS10234 [1,1,0,0,0,0|2,0,0]=4 278 B11R1.166 c1cc(c(cc1F)O)C(=O)O LS11396 [1,1,0,0,0,0|1,0,0]=3 279 B11R1.166 c1cc(c(cc1N)Cl)C(=O)O LS10725 [1,1,0,0,0,0|2,0,0]=4 280 B11R1.166 c1cc(c(cc1O)Cl)C(=O)O LS11739 [1,1,0,0,0,0|2,0,0]=4 281 B11R1.166 c1cc(c(cc1O)O)C(=O)N LS10714 [1,1,0,0,0,0|1,0,0]=3 282 B11R1.222 CCC(=O)c1ccccc1Cl LS11338 [1,1,0,0,0,0|1,0,0]=3 283 B11R1.222 CNC(=O)c1ccccc1N LS11490 [1,1,0,0,0,0|1,0,0]=3 284 B11R1.222 COC(=O)c1ccccc1Cl LS10628 [1,1,0,0,0,0|1,0,0]=3 285 B11R1.222 COC(=O)c1cccnc1N LS20032 [1,1,0,0,0,0|2,0,0]=4 286 B11R1.222 Cc1ccccc1C(=O)CBr LS11319 [1,1,0,0,0,0|1,0,0]=3 287 B11R1.21 Cc1cc(ccc1F)[N+](=O)[O-] LS10563 [1,1,0,0,0,0|2,0,0]=4 288 B11R1.21 Cc1cc(ccc1N)[N+](=O)[O-] LS10652 [1,1,0,0,0,0|2,0,0]=4 289 B11R1.21 Cc1ccc(cc1Br)C(=O)O LS10330 [1,1,0,0,0,0|2,0,0]=4 290 B11R1.21 Cc1ccc(cc1Cl)C(=O)O LS10663 [1,1,0,0,0,0|2,0,0]=4 291 B11R1.21 Cc1ccc(cc1F)C(=O)O LS10532 [1,1,0,0,0,0|2,0,0]=4 292 B11R1.21 c1cc(c(cc1C(=O)O)F)F LS11167 [1,1,0,0,0,0|2,0,0]=4 293 B11R1.21 c1cc(c(cc1C(=O)[O-])F)F LS11168 [1,1,0,0,0,0|2,0,0]=4 294 B11R1.23 CCC(=O)c1cccc(c1)Cl LS41311 [1,1,0,0,0,0|1,0,0]=3 295 B11R1.23 CNC(=O)c1cc(ccn1)Cl LS21026 [1,1,0,0,0,0|2,0,0]=4 296 B11R1.23 COC(=O)c1cc(ccn1)Cl LS20268 [1,1,0,0,0,0|2,0,0]=4 297 B11R1.23 COC(=O)c1cc(cnc1)Br LS20201 [1,1,0,0,0,0|2,0,0]=4 298 B11R1.23 COC(=O)c1ccnc(c1)Br LS20070 [1,1,0,0,0,0|2,0,0]=4 299 B11R1.23 c1cc(cc(c1)Cl)C(=O)CCl LS10356 [1,1,0,0,0,0|1,0,0]=3 300 B11R1.74 CC(=O)c1cc(cc(c1)F)F LS11171 [1,1,0,0,0,0|1,0,0]=3 301 B11R1.74 Cc1cc(cc(c1)F)[N+](=O)[O-] LS10429 [1,1,0,0,0,0|2,0,0]=4 302 B11R1.74 Cc1cc(cc(c1)N(C)C)C LS11804 [1,1,0,0,0,0|2,0,0]=4 303 B11R1.74 Cc1cc(cc(c1)N)C(=O)O LS10247 [1,1,0,0,0,0|1,0,0]=3 304 B11R1.74 c1c(cc(cc1Br)I)C(=O)O LS10332 [1,1,0,0,0,0|2,0,0]=4 305 B11R1.74 c1c(cc(cc1F)F)C(=O)O LS11169 [1,1,0,0,0,0|2,0,0]=4 306 B11R1.74 c1c(cc(cc1F)F)C(=O)[O-] LS11170 [1,1,0,0,0,0|2,0,0]=4 307 B11R1.266 COc1cccc(c1)C(=O)O LS11528 [1,1,0,0,0,0|1,0,0]=3 308 B11R1.266 c1cc(cc(c1)C(=O)Cl)C#N LS10682 [1,1,0,0,0,0|1,0,1]=4 309 B11R1.266 c1cc(cc(c1)C(=O)Cl)CCl LS10105 [1,1,0,0,0,0|1,0,0]=3 310 B11R1.266 c1cc(cc(c1)[N+](=O)[O-])CO LS11391 [1,1,0,0,0,0|2,0,0]=4 311 B13R1.165 c1cc(c(cc1F)C(=O)O)C(=O)O LS11471 [0,2,0,0,0,0|2,0,0]=4 312 B13R1.2209 COc1ccc(cc1C(=O)OC)Cl LS10631 [0,2,0,0,0,0|1,0,0]=3 313 B13R1.2815 Cc1cc(c(c(c1)C(C)(C)C)O)C LS11423 [0,2,0,0,0,0|1,0,1]=4 314 B13R1.2431 COC(=O)c1cc(ccc1O)C=O LS10659 [0,2,0,0,0,0|0,0,1]=3 315 B13R1.4789 COC(=O)c1cc(cc(c1N)Br)Br LS10608 [0,2,0,0,0,0|2,0,0]=4 316 B13R1.4789 COC(=O)c1cc(cc(c1O)N)Cl LS10172 [0,2,0,0,0,0|1,0,0]=3 317 B13R1.13 CC(=O)c1cc(ccc1F)[N+](=O)[O-] LS10096 [0,2,0,0,0,0|2,0,0]=4 318 B13R1.2818 c1c(c(c(c(c1Cl)Cl)C(=O)O)O)Cl LS11414 [0,2,0,0,0,0|2,0,0]=4 319 B11R1.20 Cc1ccc(cc1)CC(=O)C LS11261 [0,0,1,1,0,0|1,0,1]=4 320 B11R1.20 Cc1ccc(cc1)NC(=O)C LS11875 [0,0,1,1,0,0|2,0,0]=4 321 B11R2.36 Cc1ccc2c(c1)cn[nH]2 LS20968 [1,0,0,1,0,0|2,0,0]=4 322 B11R2.36 c1cc2c(cc1Br)CCO2 LS40182 [1,0,0,1,0,0|1,0,1]=4 323 B11R2.36 c1cc2c(cc1N)CCO2 LS40069 [1,0,0,1,0,0|1,0,1]=4 324 B13R2.155 c1cc(nc2c1OCC(=O)N2)Br LS40781 [0,0,0,1,0,1|2,0,0]=4 325 B13R2.162 c1cc2c(cc1Br)C(=O)CCC2 LS41948 [0,1,0,1,0,0|2,0,0]=4 326 B13R2.162 c1cc2c(cc1Cl)C(=O)CCO2 LS40801 [0,1,0,1,0,0|1,0,0]=3 327 B13R2.162 c1cc2c(cc1F)C(=O)CCO2 LS40802 [0,1,0,1,0,0|1,0,0]=3 328 B9R1.35 Cc1ccc(s1)C(=O)O LS20662 [1,0,0,0,1,0|2,0,0]=4 329 B11R1.157 CC(=O)Cc1cccc(c1)Br LS11254 [1,0,0,0,0,1|1,0,0]=3 330 B11R1.157 CC(=O)Cc1cccc(c1)Cl LS11257 [1,0,0,0,0,1|1,0,0]=3 331 B11R1.157 CC(=O)Nc1cccc(n1)N LS20129 [1,0,0,0,0,1|2,0,0]=4