0 B10R1.61 B(c1ccccc1Br)(O)O LS10792 [0,0,0,0,0,0|2,0,1]=3 1 B10R1.61 B(c1ccccc1C)(O)O LS10802 [0,0,0,0,0,0|2,0,1]=3 2 B10R1.61 B(c1ccccc1Cl)(O)O LS00151 [0,0,0,0,0,0|2,0,1]=3 3 B10R1.61 B(c1ccccc1F)(O)O LS10797 [0,0,0,0,0,0|2,0,1]=3 4 B10R1.61 B(c1ccccc1N)(O)O LS10787 [0,0,0,0,0,0|2,0,1]=3 5 B10R1.61 B(c1ccccc1O)(O)O LS10799 [0,0,0,0,0,0|1,0,1]=2 6 B10R1.61 B(c1cccnc1Br)(O)O LS20193 [0,0,0,0,0,0|3,0,1]=4 7 B10R1.61 B(c1cccnc1Cl)(O)O LS11093 [0,0,0,0,0,0|3,0,1]=4 8 B10R1.61 B(c1cccnc1F)(O)O LS11099 [0,0,0,0,0,0|3,0,1]=4 9 B10R1.61 B(c1cnccc1C)(O)O LS11105 [0,0,0,0,0,0|3,0,1]=4 10 B10R1.61 CC(=O)c1ccccc1N LS10731 [0,0,0,0,0,0|2,0,0]=2 11 B10R1.61 CC(=O)c1ccccc1O LS10607 [0,0,0,0,0,0|1,0,0]=1 12 B10R1.61 CC(=O)c1cccnc1Cl LS20570 [0,0,0,0,0,0|3,0,0]=3 13 B10R1.61 CN(C)c1ccccc1Br LS10558 [0,0,0,0,0,0|4,0,0]=4 14 B10R1.61 CN(C)c1ccccc1Cl LS10168 [0,0,0,0,0,0|4,0,0]=4 15 B10R1.61 CN(C)c1ccccc1F LS10242 [0,0,0,0,0,0|4,0,0]=4 16 B10R1.61 C[C@H](c1ccccc1Cl)O LS30121 [0,0,0,0,0,0|2,0,1]=3 17 B10R1.61 Cc1c(cccn1)C(=O)N LS20770 [0,0,0,0,0,0|3,0,0]=3 18 B10R1.61 Cc1c(cccn1)C(=O)O LS20435 [0,0,0,0,0,0|2,0,0]=2 19 B10R1.61 Cc1c(cncn1)C(=O)O LS20826 [0,0,0,0,0,0|3,0,0]=3 20 B10R1.61 Cc1ccccc1C(=O)O LS10119 [0,0,0,0,0,0|1,0,0]=1 21 B10R1.61 Cc1cccnc1C(=O)O LS20983 [0,0,0,0,0,0|2,0,0]=2 22 B10R1.61 c1c[nH]cc(c1=O)[N+](=O)[O-] LS21019 [0,0,0,0,0,0|2,0,2]=4 23 B10R1.61 c1cc(c(nc1)Br)C(=O)O LS20396 [0,0,0,0,0,0|2,0,0]=2 24 B10R1.61 c1cc(c(nc1)Br)[N+](=O)[O-] LS20185 [0,0,0,0,0,0|3,0,1]=4 25 B10R1.61 c1cc(c(nc1)C(=O)O)F LS20394 [0,0,0,0,0,0|2,0,0]=2 26 B10R1.61 c1cc(c(nc1)C(=O)O)N LS00020 [0,0,0,0,0,0|2,0,0]=2 27 B10R1.61 c1cc(c(nc1)Cl)C(=O)O LS20665 [0,0,0,0,0,0|2,0,0]=2 28 B10R1.61 c1cc(c(nc1)N)C(=O)O LS20530 [0,0,0,0,0,0|2,0,0]=2 29 B10R1.61 c1cc(c(nc1)N)[N+](=O)[O-] LS20501 [0,0,0,0,0,0|3,0,1]=4 30 B10R1.61 c1cc(c(nc1)O)C(=O)O LS20423 [0,0,0,0,0,0|1,0,0]=1 31 B10R1.61 c1cc(c(nc1)S)C(=O)O LS20725 [0,0,0,0,0,0|1,1,0]=2 32 B10R1.61 c1cc(c(nc1)[N+](=O)[O-])F LS20935 [0,0,0,0,0,0|3,0,1]=4 33 B10R1.61 c1cc(c(nc1)[N+](=O)[O-])O LS20836 [0,0,0,0,0,0|2,0,1]=3 34 B10R1.61 c1ccc(c(c1)C(=O)N)N LS11473 [0,0,0,0,0,0|2,0,0]=2 35 B10R1.61 c1ccc(c(c1)C(=O)O)Br LS10336 [0,0,0,0,0,0|1,0,0]=1 36 B10R1.61 c1ccc(c(c1)C(=O)O)Cl LS10675 [0,0,0,0,0,0|1,0,0]=1 37 B10R1.61 c1ccc(c(c1)C(=O)O)I LS00003 [0,0,0,0,0,0|1,0,0]=1 38 B10R1.61 c1ccc(c(c1)N)[N+](=O)[O-] LS11572 [0,0,0,0,0,0|2,0,1]=3 39 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])Br LS11477 [0,0,0,0,0,0|2,0,1]=3 40 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])I LS11476 [0,0,0,0,0,0|2,0,1]=3 41 B10R1.61 c1cnc(c(n1)C(=O)O)O LS20287 [0,0,0,0,0,0|2,0,0]=2 42 B10R1.61 c1cncc(c1C(=O)O)Br LS20726 [0,0,0,0,0,0|2,0,0]=2 43 B10R1.61 c1cncc(c1C(=O)O)F LS20409 [0,0,0,0,0,0|2,0,0]=2 44 B10R1.61 c1cncc(c1C(=O)O)N LS20439 [0,0,0,0,0,0|2,0,0]=2 45 B10R1.61 c1cncc(c1C(=O)O)O LS20035 [0,0,0,0,0,0|1,0,0]=1 46 B10R1.61 c1cncc(c1Cl)C(=O)O LS20834 [0,0,0,0,0,0|2,0,0]=2 47 B9R1.6 B(c1ccccc1)(O)O LS00011 [1,0,0,0,0,0|1,0,1]=3 48 B9R1.6 B(c1cccnc1)(O)O LS20190 [1,0,0,0,0,0|2,0,1]=4 49 B9R1.6 B(c1ccncc1)(O)O LS20393 [1,0,0,0,0,0|2,0,1]=4 50 B9R1.6 CC(=O)c1cccnc1 LS20960 [1,0,0,0,0,0|2,0,0]=3 51 B9R1.6 C[C@@H](c1ccccc1)N LS30171 [1,0,0,0,0,0|2,0,1]=4 52 B9R1.6 C[C@H](c1ccccc1)N LS30099 [1,0,0,0,0,0|2,0,1]=4 53 B9R1.6 c1cc(cnc1)C(=S)N LS40686 [1,0,0,0,0,0|2,1,0]=4 54 B9R1.6 c1ccc(cc1)C(=N)N LS10719 [1,0,0,0,0,0|2,0,0]=3 55 B9R1.6 c1ccc(cc1)C(=O)O LS41489 [1,0,0,0,0,0|0,0,0]=1 56 B9R1.6 c1ccc(cc1)C(=S)N LS10766 [1,0,0,0,0,0|1,1,0]=3 57 B9R1.6 c1ccnc(c1)C(=N)N LS21180 [1,0,0,0,0,0|3,0,0]=4 58 B9R1.6 c1cnc(cn1)C(=O)O LS20078 [1,0,0,0,0,0|2,0,0]=3 59 B9R1.6 c1cnc(nc1)C(=O)O LS20267 [1,0,0,0,0,0|2,0,0]=3 60 B9R1.6 c1cncnc1C(=O)O LS20389 [1,0,0,0,0,0|2,0,0]=3 61 B9R1.15 C=Cc1ccccc1Br LS11653 [1,0,0,0,0,0|2,0,0]=3 62 B9R1.15 C=Cc1ccccc1Cl LS11654 [1,0,0,0,0,0|2,0,0]=3 63 B9R1.15 C=Cc1ccccc1F LS11647 [1,0,0,0,0,0|2,0,0]=3 64 B9R1.15 CNc1ccccc1Br LS11478 [1,0,0,0,0,0|3,0,0]=4 65 B9R1.15 CNc1ccccc1F LS10646 [1,0,0,0,0,0|3,0,0]=4 66 B9R1.15 CSc1ccccc1Br LS11369 [1,0,0,0,0,0|3,0,0]=4 67 B9R1.15 Cc1ccccc1C#C LS11393 [1,0,0,0,0,0|2,0,1]=4 68 B9R1.15 Cc1ccccc1C=O LS11852 [1,0,0,0,0,0|1,0,0]=2 69 B9R1.15 Cc1ccccc1CBr LS11262 [1,0,0,0,0,0|2,0,1]=4 70 B9R1.15 Cc1ccccc1CN LS11218 [1,0,0,0,0,0|2,0,1]=4 71 B9R1.15 Cc1ccccc1CO LS11274 [1,0,0,0,0,0|1,0,1]=3 72 B9R1.15 c1cc(c(nc1)C=O)O LS20166 [1,0,0,0,0,0|1,0,0]=2 73 B9R1.15 c1cc(c(nc1)CO)O LS20165 [1,0,0,0,0,0|1,0,1]=3 74 B9R1.15 c1cc(c(nc1)Cl)C=O LS20395 [1,0,0,0,0,0|2,0,0]=3 75 B9R1.15 c1cc(c(nc1)Cl)CO LS20227 [1,0,0,0,0,0|2,0,1]=4 76 B9R1.15 c1cc(c(nc1)N)C=O LS41434 [1,0,0,0,0,0|2,0,0]=3 77 B9R1.15 c1cc(c(nc1)N)CO LS41435 [1,0,0,0,0,0|2,0,1]=4 78 B9R1.15 c1cc(c(nc1)O)C#N LS20339 [1,0,0,0,0,0|2,0,1]=4 79 B9R1.15 c1cc(c(nc1)O)C=O LS21175 [1,0,0,0,0,0|1,0,0]=2 80 B9R1.15 c1ccc(c(c1)C#N)Br LS11428 [1,0,0,0,0,0|2,0,1]=4 81 B9R1.15 c1ccc(c(c1)C#N)O LS10639 [1,0,0,0,0,0|1,0,1]=3 82 B9R1.15 c1ccc(c(c1)C=O)N LS10114 [1,0,0,0,0,0|1,0,0]=2 83 B9R1.15 c1ccc(c(c1)CBr)F LS11504 [1,0,0,0,0,0|2,0,1]=4 84 B9R1.15 c1ccc(c(c1)CBr)I LS11268 [1,0,0,0,0,0|2,0,1]=4 85 B9R1.15 c1ccc(c(c1)CN)Br LS11216 [1,0,0,0,0,0|2,0,1]=4 86 B9R1.15 c1ccc(c(c1)CO)F LS11270 [1,0,0,0,0,0|1,0,1]=3 87 B9R1.15 c1ccc(c(c1)CO)I LS11276 [1,0,0,0,0,0|1,0,1]=3 88 B9R1.15 c1ccc(c(c1)CO)N LS10594 [1,0,0,0,0,0|1,0,1]=3 89 B9R1.15 c1ccc(c(c1)NN)Br LS11826 [1,0,0,0,0,0|3,0,0]=4 90 B9R1.15 c1ccc(c(c1)NN)F LS11539 [1,0,0,0,0,0|3,0,0]=4 91 B9R1.15 c1cncc(c1C=O)Br LS20109 [1,0,0,0,0,0|2,0,0]=3 92 B11R1.53 B(c1ccccc1C#N)(O)O LS10807 [0,1,0,0,0,0|2,0,1]=4 93 B11R1.53 B(c1ccccc1C=O)(O)O LS00094 [0,1,0,0,0,0|1,0,2]=4 94 B11R1.53 B(c1ccccc1C=O)(O)O LS00094 [0,1,0,0,0,0|1,0,2]=4 95 B11R1.53 B(c1ccccc1CBr)(O)O LS10791 [0,1,0,0,0,0|2,0,1]=4 96 B11R1.53 B(c1ccccc1CC)(O)O LS10539 [0,1,0,0,0,0|2,0,1]=4 97 B11R1.53 B(c1ccccc1CO)(O)O LS10798 [0,1,0,0,0,0|1,0,1]=3 98 B11R1.53 B(c1ccccc1OC)(O)O LS10801 [0,1,0,0,0,0|1,0,1]=3 99 B11R1.53 B(c1ccccc1SC)(O)O LS00116 [0,1,0,0,0,0|1,1,1]=4 100 B11R1.53 B(c1cccnc1OC)(O)O LS20388 [0,1,0,0,0,0|2,0,1]=4 101 B11R1.53 COc1ccccc1C(=O)Cl LS11458 [0,1,0,0,0,0|1,0,0]=2 102 B11R1.53 COc1ccccc1C(=O)O LS11456 [0,1,0,0,0,0|0,0,0]=1 103 B11R1.87 Cc1ccccc1S(=O)(=O)N LS10653 [0,1,0,0,0,0|2,0,1]=4 104 B11R1.87 c1ccc(c(c1)F)S(=O)(=O)Cl LS10759 [0,1,0,0,0,0|2,0,1]=4 105 B11R1.87 c1ccc(c(c1)S(=O)(=O)N)Cl LS11841 [0,1,0,0,0,0|2,0,1]=4 106 B11R1.156 B(c1c(cccc1Br)F)(O)O LS11301 [0,1,0,0,0,0|2,0,1]=4 107 B11R1.156 B(c1c(cccc1C)C)(O)O LS10942 [0,1,0,0,0,0|2,0,1]=4 108 B11R1.156 B(c1c(cccc1Cl)Cl)(O)O LS10938 [0,1,0,0,0,0|2,0,1]=4 109 B11R1.156 B(c1c(cccc1F)F)(O)O LS10939 [0,1,0,0,0,0|2,0,1]=4 110 B11R1.156 CC(=O)c1c(cccc1Br)F LS11304 [0,1,0,0,0,0|2,0,0]=3 111 B11R1.156 CC(=O)c1c(cccc1F)F LS11166 [0,1,0,0,0,0|2,0,0]=3 112 B11R1.156 Cc1cccc(c1C(=O)O)O LS10070 [0,1,0,0,0,0|0,0,0]=1 113 B11R1.156 Cc1ccnc(c1[N+](=O)[O-])O LS20338 [0,1,0,0,0,0|2,0,1]=4 114 B11R1.156 c1cc(c(c(c1)Br)C(=O)O)Cl LS10321 [0,1,0,0,0,0|1,0,0]=2 115 B11R1.156 c1cc(c(c(c1)Br)C(=O)O)F LS11335 [0,1,0,0,0,0|1,0,0]=2 116 B11R1.156 c1cc(c(c(c1)Br)C(=O)O)N LS10138 [0,1,0,0,0,0|1,0,0]=2 117 B11R1.156 c1cc(c(c(c1)Br)[N+](=O)[O-])Br LS11640 [0,1,0,0,0,0|2,0,1]=4 118 B11R1.156 c1cc(c(c(c1)Cl)C(=O)Cl)Cl LS11443 [0,1,0,0,0,0|2,0,0]=3 119 B11R1.156 c1cc(c(c(c1)Cl)C(=O)O)Cl LS11437 [0,1,0,0,0,0|1,0,0]=2 120 B11R1.156 c1cc(c(c(c1)Cl)C(=O)O)N LS11434 [0,1,0,0,0,0|1,0,0]=2 121 B11R1.156 c1cc(c(c(c1)Cl)[N+](=O)[O-])Cl LS11646 [0,1,0,0,0,0|2,0,1]=4 122 B11R1.156 c1cc(c(c(c1)Cl)[N+](=O)[O-])N LS10372 [0,1,0,0,0,0|2,0,1]=4 123 B11R1.156 c1cc(c(c(c1)F)C(=O)O)N LS10583 [0,1,0,0,0,0|1,0,0]=2 124 B11R1.156 c1cc(c(c(c1)F)C(=O)O)O LS10249 [0,1,0,0,0,0|0,0,0]=1 125 B11R1.156 c1cc(c(c(c1)F)[N+](=O)[O-])F LS11645 [0,1,0,0,0,0|2,0,1]=4 126 B11R1.159 B(c1cccc(c1C)C)(O)O LS10927 [0,1,0,0,0,0|2,0,1]=4 127 B11R1.159 B(c1cccc(c1C)F)(O)O LS11009 [0,1,0,0,0,0|2,0,1]=4 128 B11R1.159 B(c1cccc(c1Cl)Cl)(O)O LS10923 [0,1,0,0,0,0|2,0,1]=4 129 B11R1.159 B(c1cccc(c1F)Br)(O)O LS11300 [0,1,0,0,0,0|2,0,1]=4 130 B11R1.159 B(c1cccc(c1F)Cl)(O)O LS10998 [0,1,0,0,0,0|2,0,1]=4 131 B11R1.159 B(c1cccc(c1F)F)(O)O LS10924 [0,1,0,0,0,0|2,0,1]=4 132 B11R1.159 B(c1cccc(c1O)Br)(O)O LS10991 [0,1,0,0,0,0|1,0,1]=3 133 B11R1.159 CC(=O)c1cccc(c1F)Br LS10318 [0,1,0,0,0,0|2,0,0]=3 134 B11R1.159 CC(c1cccc(c1F)Br)O LS11305 [0,1,0,0,0,0|2,0,1]=4 135 B11R1.159 Cc1c(cccc1F)C(=O)O LS10580 [0,1,0,0,0,0|1,0,0]=2 136 B11R1.159 Cc1c(cccc1I)C(=O)O LS10045 [0,1,0,0,0,0|1,0,0]=2 137 B11R1.159 Cc1c(cccc1O)[N+](=O)[O-] LS11806 [0,1,0,0,0,0|2,0,1]=4 138 B11R1.159 Cc1cccc(c1C)C(=O)O LS11825 [0,1,0,0,0,0|1,0,0]=2 139 B11R1.159 Cc1cccc(c1I)C(=O)O LS10145 [0,1,0,0,0,0|1,0,0]=2 140 B11R1.159 Cc1cccc(c1N)C(=O)O LS11462 [0,1,0,0,0,0|1,0,0]=2 141 B11R1.159 c1cc(c(c(c1)Br)F)C(=O)O LS10579 [0,1,0,0,0,0|1,0,0]=2 142 B11R1.159 c1cc(c(c(c1)Br)F)[N+](=O)[O-] LS10297 [0,1,0,0,0,0|2,0,1]=4 143 B11R1.159 c1cc(c(c(c1)Br)N)C(=O)N LS11488 [0,1,0,0,0,0|2,0,0]=3 144 B11R1.159 c1cc(c(c(c1)Br)N)C(=O)O LS11484 [0,1,0,0,0,0|1,0,0]=2 145 B11R1.159 c1cc(c(c(c1)Br)O)[N+](=O)[O-] LS10741 [0,1,0,0,0,0|1,0,1]=3 146 B11R1.159 c1cc(c(c(c1)Cl)Cl)C(=O)O LS11460 [0,1,0,0,0,0|1,0,0]=2 147 B11R1.159 c1cc(c(c(c1)Cl)F)C(=O)O LS11404 [0,1,0,0,0,0|1,0,0]=2 148 B11R1.159 c1cc(c(c(c1)Cl)F)[N+](=O)[O-] LS10463 [0,1,0,0,0,0|2,0,1]=4 149 B11R1.159 c1cc(c(c(c1)Cl)N)C(=O)O LS11486 [0,1,0,0,0,0|1,0,0]=2 150 B11R1.159 c1cc(c(c(c1)F)Br)C(=O)O LS10584 [0,1,0,0,0,0|1,0,0]=2 151 B11R1.159 c1cc(c(c(c1)F)F)C(=O)O LS11162 [0,1,0,0,0,0|1,0,0]=2 152 B11R1.159 c1cc(c(c(c1)F)N)C(=O)O LS11485 [0,1,0,0,0,0|1,0,0]=2 153 B11R1.159 c1cc(c(c(c1)I)F)C(=O)O LS10522 [0,1,0,0,0,0|1,0,0]=2 154 B11R1.159 c1cc(c(c(c1)N)F)C(=O)O LS10012 [0,1,0,0,0,0|1,0,0]=2 155 B11R1.159 c1cc(c(c(c1)N)N)C(=O)N LS11444 [0,1,0,0,0,0|2,0,0]=3 156 B11R1.159 c1cc(c(c(c1)N)N)C(=O)O LS11459 [0,1,0,0,0,0|1,0,0]=2 157 B11R1.159 c1cc(c(c(c1)O)Br)[N+](=O)[O-] LS11792 [0,1,0,0,0,0|2,0,1]=4 158 B11R1.159 c1cc(c(c(c1)O)O)C(=O)O LS10681 [0,1,0,0,0,0|0,0,0]=1 159 B11R1.166 B(c1ccc(cc1C)C)(O)O LS10933 [0,1,0,0,0,0|2,0,1]=4 160 B11R1.166 B(c1ccc(cc1C)Cl)(O)O LS11030 [0,1,0,0,0,0|2,0,1]=4 161 B11R1.166 B(c1ccc(cc1C)F)(O)O LS11036 [0,1,0,0,0,0|2,0,1]=4 162 B11R1.166 B(c1ccc(cc1C)O)(O)O LS11044 [0,1,0,0,0,0|2,0,1]=4 163 B11R1.166 B(c1ccc(cc1Cl)C)(O)O LS11410 [0,1,0,0,0,0|2,0,1]=4 164 B11R1.166 B(c1ccc(cc1Cl)Cl)(O)O LS10929 [0,1,0,0,0,0|2,0,1]=4 165 B11R1.166 B(c1ccc(cc1Cl)F)(O)O LS10970 [0,1,0,0,0,0|2,0,1]=4 166 B11R1.166 B(c1ccc(cc1F)Br)(O)O LS11028 [0,1,0,0,0,0|2,0,1]=4 167 B11R1.166 B(c1ccc(cc1F)C)(O)O LS10981 [0,1,0,0,0,0|2,0,1]=4 168 B11R1.166 B(c1ccc(cc1F)Cl)(O)O LS10243 [0,1,0,0,0,0|2,0,1]=4 169 B11R1.166 B(c1ccc(cc1F)F)(O)O LS10930 [0,1,0,0,0,0|2,0,1]=4 170 B11R1.166 CC(=O)c1ccc(cc1Cl)Br LS10361 [0,1,0,0,0,0|2,0,0]=3 171 B11R1.166 CC(=O)c1ccc(cc1F)Cl LS10306 [0,1,0,0,0,0|2,0,0]=3 172 B11R1.166 CC(=O)c1ccc(cc1O)F LS10126 [0,1,0,0,0,0|1,0,0]=2 173 B11R1.166 Cc1cc(ccc1C(=O)O)F LS10581 [0,1,0,0,0,0|1,0,0]=2 174 B11R1.166 Cc1cc(ccc1[N+](=O)[O-])F LS11421 [0,1,0,0,0,0|2,0,1]=4 175 B11R1.166 Cc1ccc(c(c1)F)C(=O)O LS10521 [0,1,0,0,0,0|1,0,0]=2 176 B11R1.166 Cc1ccc(c(c1)F)[N+](=O)[O-] LS10436 [0,1,0,0,0,0|2,0,1]=4 177 B11R1.166 Cc1ccc(c(n1)Cl)C(=O)O LS20787 [0,1,0,0,0,0|2,0,0]=3 178 B11R1.166 c1c(c(=O)[nH]c(=O)[nH]1)C(=O)O LS20799 [0,1,0,0,0,0|2,0,1]=4 179 B11R1.166 c1c(cnc(c1Br)C(=O)O)Br LS20021 [0,1,0,0,0,0|2,0,0]=3 180 B11R1.166 c1cc(c(cc1Br)Br)C(=O)O LS10326 [0,1,0,0,0,0|1,0,0]=2 181 B11R1.166 c1cc(c(cc1Br)Cl)C(=O)O LS10346 [0,1,0,0,0,0|1,0,0]=2 182 B11R1.166 c1cc(c(cc1Br)F)C(=O)O LS10691 [0,1,0,0,0,0|1,0,0]=2 183 B11R1.166 c1cc(c(cc1Br)F)[N+](=O)[O-] LS10479 [0,1,0,0,0,0|2,0,1]=4 184 B11R1.166 c1cc(c(cc1Br)N)C(=O)O LS11470 [0,1,0,0,0,0|1,0,0]=2 185 B11R1.166 c1cc(c(cc1Cl)Cl)C(=O)O LS10673 [0,1,0,0,0,0|1,0,0]=2 186 B11R1.166 c1cc(c(cc1Cl)F)[N+](=O)[O-] LS00111 [0,1,0,0,0,0|2,0,1]=4 187 B11R1.166 c1cc(c(cc1Cl)N)C(=O)N LS10587 [0,1,0,0,0,0|2,0,0]=3 188 B11R1.166 c1cc(c(cc1Cl)N)C(=O)O LS11433 [0,1,0,0,0,0|1,0,0]=2 189 B11R1.166 c1cc(c(cc1Cl)O)C(=O)O LS10716 [0,1,0,0,0,0|0,0,0]=1 190 B11R1.166 c1cc(c(cc1F)Br)[N+](=O)[O-] LS10299 [0,1,0,0,0,0|2,0,1]=4 191 B11R1.166 c1cc(c(cc1F)Cl)[N+](=O)[O-] LS10294 [0,1,0,0,0,0|2,0,1]=4 192 B11R1.166 c1cc(c(cc1F)F)C(=O)[O-] LS11163 [0,1,0,0,0,0|1,0,1]=3 193 B11R1.166 c1cc(c(cc1F)N)C(=O)O LS10234 [0,1,0,0,0,0|1,0,0]=2 194 B11R1.166 c1cc(c(cc1F)N)[N+](=O)[O-] LS10279 [0,1,0,0,0,0|2,0,1]=4 195 B11R1.166 c1cc(c(cc1F)O)C(=O)O LS11396 [0,1,0,0,0,0|0,0,0]=1 196 B11R1.166 c1cc(c(cc1N)Br)[N+](=O)[O-] LS10292 [0,1,0,0,0,0|2,0,1]=4 197 B11R1.166 c1cc(c(cc1N)Cl)C(=O)O LS10725 [0,1,0,0,0,0|1,0,0]=2 198 B11R1.166 c1cc(c(cc1N)F)[N+](=O)[O-] LS10280 [0,1,0,0,0,0|2,0,1]=4 199 B11R1.166 c1cc(c(cc1O)Cl)C(=O)O LS11739 [0,1,0,0,0,0|1,0,0]=2 200 B11R1.166 c1cc(c(cc1O)F)[N+](=O)[O-] LS00120 [0,1,0,0,0,0|2,0,1]=4 201 B11R1.166 c1cc(c(cc1O)I)[N+](=O)[O-] LS10155 [0,1,0,0,0,0|2,0,1]=4 202 B11R1.166 c1cc(c(cc1O)O)C(=O)N LS10714 [0,1,0,0,0,0|1,0,0]=2 203 B11R1.166 c1cc(nc(c1C(=O)O)Cl)Cl LS20515 [0,1,0,0,0,0|2,0,0]=3 204 B11R1.166 c1cc(nc(c1[N+](=O)[O-])O)Cl LS20717 [0,1,0,0,0,0|2,0,1]=4 205 B11R1.167 B(c1cc(ccc1C)C)(O)O LS10937 [0,1,0,0,0,0|2,0,1]=4 206 B11R1.167 B(c1cc(ccc1C)Cl)(O)O LS11051 [0,1,0,0,0,0|2,0,1]=4 207 B11R1.167 B(c1cc(ccc1C)F)(O)O LS11054 [0,1,0,0,0,0|2,0,1]=4 208 B11R1.167 B(c1cc(ccc1Cl)Cl)(O)O LS10934 [0,1,0,0,0,0|2,0,1]=4 209 B11R1.167 B(c1cc(ccc1Cl)F)(O)O LS10975 [0,1,0,0,0,0|2,0,1]=4 210 B11R1.167 B(c1cc(ccc1F)C)(O)O LS10983 [0,1,0,0,0,0|2,0,1]=4 211 B11R1.167 B(c1cc(ccc1F)Cl)(O)O LS11048 [0,1,0,0,0,0|2,0,1]=4 212 B11R1.167 B(c1cc(ccc1F)F)(O)O LS10935 [0,1,0,0,0,0|2,0,1]=4 213 B11R1.167 B(c1cc(ccc1O)Cl)(O)O LS11049 [0,1,0,0,0,0|1,0,1]=3 214 B11R1.167 B(c1cc(ccc1O)F)(O)O LS11052 [0,1,0,0,0,0|1,0,1]=3 215 B11R1.167 CC(=O)c1cc(ccc1Br)Cl LS11579 [0,1,0,0,0,0|2,0,0]=3 216 B11R1.167 CC(=O)c1cc(ccc1Br)F LS10365 [0,1,0,0,0,0|2,0,0]=3 217 B11R1.167 CC(=O)c1cc(ccc1F)Br LS10106 [0,1,0,0,0,0|2,0,0]=3 218 B11R1.167 CC(=O)c1cc(ccc1I)F LS10113 [0,1,0,0,0,0|2,0,0]=3 219 B11R1.167 CC(=O)c1cc(ccc1O)O LS11715 [0,1,0,0,0,0|1,0,0]=2 220 B11R1.167 Cc1ccc(c(c1)C(=O)O)I LS10696 [0,1,0,0,0,0|1,0,0]=2 221 B11R1.167 Cc1ccc(cc1C(=O)O)Br LS10562 [0,1,0,0,0,0|1,0,0]=2 222 B11R1.167 Cc1ccc(cc1C(=O)O)F LS10582 [0,1,0,0,0,0|1,0,0]=2 223 B11R1.167 Cc1ccc(cc1C(=O)O)I LS11399 [0,1,0,0,0,0|1,0,0]=2 224 B11R1.167 Cc1ccc(cc1[N+](=O)[O-])Cl LS10692 [0,1,0,0,0,0|2,0,1]=4 225 B11R1.167 Cc1ccc(cc1[N+](=O)[O-])O LS10704 [0,1,0,0,0,0|2,0,1]=4 226 B11R1.167 c1c(c(cnc1F)F)C(=O)O LS20887 [0,1,0,0,0,0|2,0,0]=3 227 B11R1.167 c1c(cnc(c1C(=O)O)Cl)Br LS20228 [0,1,0,0,0,0|2,0,0]=3 228 B11R1.167 c1c(cnc(c1C(=O)O)Cl)Cl LS20422 [0,1,0,0,0,0|2,0,0]=3 229 B11R1.167 c1c(cnc(c1C(=O)O)O)Br LS20421 [0,1,0,0,0,0|1,0,0]=2 230 B11R1.167 c1c(cnc(c1[N+](=O)[O-])O)Br LS20545 [0,1,0,0,0,0|2,0,1]=4 231 B11R1.167 c1c(cnc(c1[N+](=O)[O-])O)Cl LS20337 [0,1,0,0,0,0|2,0,1]=4 232 B11R1.167 c1c(cnc(c1[N+](=O)[O-])O)F LS20419 [0,1,0,0,0,0|2,0,1]=4 233 B11R1.167 c1cc(c(cc1Br)C(=O)N)N LS11489 [0,1,0,0,0,0|2,0,0]=3 234 B11R1.167 c1cc(c(cc1Br)C(=O)O)Cl LS11201 [0,1,0,0,0,0|1,0,0]=2 235 B11R1.167 c1cc(c(cc1Br)C(=O)O)F LS10585 [0,1,0,0,0,0|1,0,0]=2 236 B11R1.167 c1cc(c(cc1Br)C(=O)O)N LS10708 [0,1,0,0,0,0|1,0,0]=2 237 B11R1.167 c1cc(c(cc1Br)[N+](=O)[O-])N LS10329 [0,1,0,0,0,0|2,0,1]=4 238 B11R1.167 c1cc(c(cc1Cl)C(=O)N)N LS10559 [0,1,0,0,0,0|2,0,0]=3 239 B11R1.167 c1cc(c(cc1Cl)C(=O)N)O LS10567 [0,1,0,0,0,0|1,0,0]=2 240 B11R1.167 c1cc(c(cc1Cl)C(=O)O)Cl LS11832 [0,1,0,0,0,0|1,0,0]=2 241 B11R1.167 c1cc(c(cc1Cl)C(=O)O)N LS10348 [0,1,0,0,0,0|1,0,0]=2 242 B11R1.167 c1cc(c(cc1Cl)C(=O)O)O LS11420 [0,1,0,0,0,0|0,0,0]=1 243 B11R1.167 c1cc(c(cc1Cl)[N+](=O)[O-])Br LS10345 [0,1,0,0,0,0|2,0,1]=4 244 B11R1.167 c1cc(c(cc1F)C(=O)N)N LS11474 [0,1,0,0,0,0|2,0,0]=3 245 B11R1.167 c1cc(c(cc1F)C(=O)O)F LS11164 [0,1,0,0,0,0|1,0,0]=2 246 B11R1.167 c1cc(c(cc1F)C(=O)O)N LS11464 [0,1,0,0,0,0|1,0,0]=2 247 B11R1.167 c1cc(c(cc1F)C(=O)O)O LS10523 [0,1,0,0,0,0|0,0,0]=1 248 B11R1.167 c1cc(c(cc1F)C(=O)[O-])F LS11165 [0,1,0,0,0,0|1,0,1]=3 249 B11R1.167 c1cc(c(cc1I)[N+](=O)[O-])I LS10074 [0,1,0,0,0,0|2,0,1]=4 250 B11R1.167 c1cc(c(cc1N)C(=O)O)O LS11426 [0,1,0,0,0,0|0,0,0]=1 251 B11R1.167 c1cc(c(cc1O)C(=O)O)F LS10475 [0,1,0,0,0,0|1,0,0]=2 252 B11R1.167 c1cc(c(cc1O)[N+](=O)[O-])F LS10130 [0,1,0,0,0,0|2,0,1]=4 253 B11R1.167 c1cc(c(cc1O)[N+](=O)[O-])N LS10710 [0,1,0,0,0,0|2,0,1]=4 254 B11R1.167 c1cc(nc(c1F)C(=O)O)Cl LS20461 [0,1,0,0,0,0|2,0,0]=3 255 B11R1.167 c1cc(nc(c1O)[N+](=O)[O-])Br LS20714 [0,1,0,0,0,0|2,0,1]=4 256 B11R1.222 CCC(=O)c1ccccc1Cl LS11338 [0,1,0,0,0,0|2,0,0]=3 257 B11R1.222 CNC(=O)c1ccccc1N LS11490 [0,1,0,0,0,0|2,0,0]=3 258 B11R1.222 COC(=O)c1ccccc1Cl LS10628 [0,1,0,0,0,0|1,0,0]=2 259 B11R1.222 COC(=O)c1cccnc1N LS20032 [0,1,0,0,0,0|2,0,0]=3 260 B11R1.222 Cc1ccccc1C(=O)CBr LS11319 [0,1,0,0,0,0|2,0,0]=3 261 B11R2.1 c1cc2c(nc1)COC2=O LS41441 [0,0,0,1,0,0|2,0,0]=3 262 B9R1.41 Cc1c(con1)C(=O)O LS20143 [0,0,0,0,1,0|3,0,0]=4 263 B9R1.41 Cc1ccsc1C(=O)O LS20659 [0,0,0,0,1,0|2,0,0]=3 264 B9R1.41 Cn1c(ccn1)C(=O)O LS20083 [0,0,0,0,1,0|3,0,0]=4 265 B9R1.41 c1csc(c1Br)C(=O)O LS20750 [0,0,0,0,1,0|2,0,0]=3 266 B9R1.41 c1csc(c1C(=O)O)Br LS20833 [0,0,0,0,1,0|2,0,0]=3 267 B9R1.41 c1csc(c1Cl)C(=O)O LS20749 [0,0,0,0,1,0|2,0,0]=3 268 B9R1.41 c1nc(c(s1)Br)C(=O)O LS21078 [0,0,0,0,1,0|3,0,0]=4 269 B11R1.86 CC(=O)Cc1ccccc1Br LS11253 [0,0,0,0,0,1|2,0,0]=3 270 B11R1.86 CC(=O)Cc1ccccc1Cl LS11256 [0,0,0,0,0,1|2,0,0]=3 271 B11R1.86 CC(=O)Cc1ccccc1F LS11259 [0,0,0,0,0,1|2,0,0]=3 272 B11R1.86 c1ccc(c(c1)CC(=O)O)O LS10642 [0,0,0,0,0,1|0,0,0]=1 273 B8R1.2 C#Cc1ccccc1 LS10701 [2,0,0,0,0,0|1,0,1]=4 274 B8R1.2 c1cc(cnc1)C=O LS20485 [2,0,0,0,0,0|1,0,0]=3 275 B8R1.2 c1ccc(cc1)C=O LS41490 [2,0,0,0,0,0|0,0,0]=2 276 B8R1.2 c1ccc(cc1)CO LS41488 [2,0,0,0,0,0|0,0,1]=3 277 B8R1.2 c1cnccc1C=O LS20943 [2,0,0,0,0,0|1,0,0]=3 278 B8R1.5 Cc1c(cccn1)O LS20321 [2,0,0,0,0,0|1,0,1]=4 279 B8R1.5 Cc1ccccc1Cl LS11417 [2,0,0,0,0,0|1,0,1]=4 280 B8R1.5 Cc1cccnc1O LS20286 [2,0,0,0,0,0|1,0,1]=4 281 B8R1.5 Cn1ccccc1=O LS40391 [2,0,0,0,0,0|2,0,0]=4 282 B8R1.5 c1ccc(c(c1)Br)Br LS11475 [2,0,0,0,0,0|2,0,0]=4 283 B8R1.5 c1ccc(c(c1)Br)I LS10473 [2,0,0,0,0,0|2,0,0]=4 284 B8R1.5 c1ccc(c(c1)Cl)I LS10577 [2,0,0,0,0,0|2,0,0]=4 285 B8R1.5 c1ccc(c(c1)N)Br LS11448 [2,0,0,0,0,0|2,0,0]=4 286 B8R1.5 c1ccc(c(c1)N)Cl LS11568 [2,0,0,0,0,0|2,0,0]=4 287 B8R1.5 c1ccc(c(c1)N)I LS10537 [2,0,0,0,0,0|2,0,0]=4 288 B8R1.5 c1ccc(c(c1)O)Br LS11447 [2,0,0,0,0,0|1,0,0]=3 289 B8R1.5 c1ccc(c(c1)O)F LS10471 [2,0,0,0,0,0|1,0,0]=3 290 B8R1.5 c1ccc(c(c1)O)I LS00004 [2,0,0,0,0,0|1,0,0]=3 291 B8R1.5 c1ccn(c(=O)c1)O LS21131 [2,0,0,0,0,0|1,0,0]=3 292 B10R1.13 B(c1ccc(cc1)Br)(O)O LS10182 [1,1,0,0,0,0|1,0,1]=4 293 B10R1.13 B(c1ccc(cc1)C)(O)O LS00088 [1,1,0,0,0,0|1,0,1]=4 294 B10R1.13 B(c1ccc(cc1)Cl)(O)O LS00091 [1,1,0,0,0,0|1,0,1]=4 295 B10R1.13 B(c1ccc(cc1)F)(O)O LS00090 [1,1,0,0,0,0|1,0,1]=4 296 B10R1.13 B(c1ccc(cc1)I)(O)O LS10893 [1,1,0,0,0,0|1,0,1]=4 297 B10R1.13 B(c1ccc(cc1)N)(O)O LS10039 [1,1,0,0,0,0|1,0,1]=4 298 B10R1.13 B(c1ccc(cc1)O)(O)O LS10892 [1,1,0,0,0,0|1,0,1]=4 299 B10R1.13 B(c1ccc(cc1)S)(O)O LS00089 [1,1,0,0,0,0|1,0,1]=4 300 B10R1.13 CC(=O)c1ccc(cc1)Br LS11874 [1,1,0,0,0,0|1,0,0]=3 301 B10R1.13 CC(=O)c1ccc(cc1)F LS11575 [1,1,0,0,0,0|1,0,0]=3 302 B10R1.13 CC(=O)c1ccc(cc1)N LS10360 [1,1,0,0,0,0|1,0,0]=3 303 B10R1.13 CC(=O)c1ccc(cc1)O LS10359 [1,1,0,0,0,0|1,0,0]=3 304 B10R1.13 CC(=O)c1ccc(cn1)Br LS20859 [1,1,0,0,0,0|2,0,0]=4 305 B10R1.13 CC(=O)c1ccc(nc1)Br LS21178 [1,1,0,0,0,0|2,0,0]=4 306 B10R1.13 Cc1ccc(cn1)C(=O)O LS20541 [1,1,0,0,0,0|1,0,0]=3 307 B10R1.13 Cc1ncc(cn1)C(=O)O LS20220 [1,1,0,0,0,0|2,0,0]=4 308 B10R1.13 c1c(cnc(n1)Cl)C(=O)O LS21033 [1,1,0,0,0,0|2,0,0]=4 309 B10R1.13 c1c(cnc(n1)N)C(=O)O LS20168 [1,1,0,0,0,0|2,0,0]=4 310 B10R1.13 c1c(ncc(n1)Cl)C(=O)O LS20205 [1,1,0,0,0,0|2,0,0]=4 311 B10R1.13 c1c(ncc(n1)O)C(=O)O LS20206 [1,1,0,0,0,0|2,0,0]=4 312 B10R1.13 c1cc(ccc1C(=N)N)Br LS00131 [1,1,0,0,0,0|2,0,0]=4 313 B10R1.13 c1cc(ccc1C(=O)Cl)N LS11728 [1,1,0,0,0,0|1,0,0]=3 314 B10R1.13 c1cc(ccc1C(=O)O)Cl LS10674 [1,1,0,0,0,0|0,0,0]=2 315 B10R1.13 c1cc(ccc1N)[N+](=O)[O-] LS10622 [1,1,0,0,0,0|1,0,1]=4 316 B10R1.13 c1cc(ccc1[N+](=O)[O-])Cl LS10621 [1,1,0,0,0,0|1,0,1]=4 317 B10R1.13 c1cc(ncc1Br)C(=O)O LS20244 [1,1,0,0,0,0|1,0,0]=3 318 B10R1.13 c1cc(ncc1C(=O)O)Cl LS20664 [1,1,0,0,0,0|1,0,0]=3 319 B10R1.13 c1cc(ncc1C(=O)O)N LS20730 [1,1,0,0,0,0|1,0,0]=3 320 B10R1.13 c1cc(ncc1F)C(=O)O LS20092 [1,1,0,0,0,0|1,0,0]=3 321 B10R1.15 COC(=O)c1cccnc1 LS20584 [1,1,0,0,0,0|1,0,0]=3 322 B10R1.15 c1ccc(cc1)C(=O)CBr LS11352 [1,1,0,0,0,0|1,0,0]=3 323 B10R1.15 c1ccc(cc1)C(=O)CCl LS11677 [1,1,0,0,0,0|1,0,0]=3 324 B10R1.15 c1ccc(cc1)C(=O)CO LS10613 [1,1,0,0,0,0|0,0,0]=2 325 B10R1.15 c1ccc(cc1)[C@@H](CO)N LS30212 [1,1,0,0,0,0|1,0,1]=4 326 B10R1.15 c1ccc(cc1)[C@@H](CO)O LS30263 [1,1,0,0,0,0|0,0,2]=4 327 B10R1.15 c1ccc(cc1)[C@H](CO)N LS30213 [1,1,0,0,0,0|1,0,1]=4 328 B10R1.15 c1ccc(cc1)[C@H](CO)O LS30264 [1,1,0,0,0,0|0,0,2]=4 329 B10R1.28 CC(C)(c1ccccc1)O LS11531 [1,1,0,0,0,0|1,0,1]=4 330 B10R1.28 c1ccc(cc1)P(=O)(Cl)Cl LS40262 [1,1,0,0,0,0|2,0,0]=4 331 B10R1.28 c1ccc(cc1)S(=O)(=O)O LS10672 [1,1,0,0,0,0|1,0,0]=3 332 B10R1.28 c1ccc(cc1)S(=O)(=O)[O-] LS40553 [1,1,0,0,0,0|1,0,1]=4 333 B10R1.113 B(c1cccc(c1)Br)(O)O LS10826 [1,1,0,0,0,0|1,0,1]=4 334 B10R1.113 B(c1cccc(c1)C)(O)O LS10847 [1,1,0,0,0,0|1,0,1]=4 335 B10R1.113 B(c1cccc(c1)Cl)(O)O LS00152 [1,1,0,0,0,0|1,0,1]=4 336 B10R1.113 B(c1cccc(c1)F)(O)O LS10837 [1,1,0,0,0,0|1,0,1]=4 337 B10R1.113 B(c1cccc(c1)N)(O)O LS10820 [1,1,0,0,0,0|1,0,1]=4 338 B10R1.113 B(c1cccc(c1)N)(O)O LS10821 [1,1,0,0,0,0|1,0,1]=4 339 B10R1.113 B(c1cccc(c1)N)(O)O LS11541 [1,1,0,0,0,0|1,0,1]=4 340 B10R1.113 B(c1cccc(c1)O)(O)O LS10839 [1,1,0,0,0,0|1,0,1]=4 341 B10R1.113 B(c1cccc(c1)S)(O)O LS10841 [1,1,0,0,0,0|1,0,1]=4 342 B10R1.113 CC(=O)c1cccc(c1)N LS11527 [1,1,0,0,0,0|1,0,0]=3 343 B10R1.113 CC(=O)c1cccc(n1)Br LS20488 [1,1,0,0,0,0|2,0,0]=4 344 B10R1.113 Cc1ccnc(c1)C(=O)C LS21177 [1,1,0,0,0,0|2,0,0]=4 345 B10R1.113 c1c(cncc1Br)C(=O)O LS20729 [1,1,0,0,0,0|1,0,0]=3 346 B10R1.113 c1c(cncc1Cl)C(=O)O LS20728 [1,1,0,0,0,0|1,0,0]=3 347 B10R1.113 c1c(cncc1N)C(=O)O LS20110 [1,1,0,0,0,0|1,0,0]=3 348 B10R1.113 c1c(cncc1O)C(=O)O LS20727 [1,1,0,0,0,0|1,0,0]=3 349 B10R1.113 c1c(nc(cn1)Cl)C(=O)O LS20459 [1,1,0,0,0,0|2,0,0]=4 350 B10R1.113 c1c(ncnc1O)C(=O)O LS20104 [1,1,0,0,0,0|2,0,0]=4 351 B10R1.113 c1cc(cc(c1)Br)C(=N)N LS10543 [1,1,0,0,0,0|2,0,0]=4 352 B10R1.113 c1cc(cc(c1)O)[N+](=O)[O-] LS11800 [1,1,0,0,0,0|1,0,1]=4 353 B10R1.113 c1cc(nc(c1)Br)C(=O)O LS20438 [1,1,0,0,0,0|1,0,0]=3 354 B10R1.113 c1cc(nc(c1)Cl)C(=O)O LS20264 [1,1,0,0,0,0|1,0,0]=3 355 B10R1.113 c1cnc(cc1C(=O)O)Br LS20245 [1,1,0,0,0,0|1,0,0]=3 356 B10R1.113 c1cnc(cc1C(=O)O)Cl LS20583 [1,1,0,0,0,0|1,0,0]=3 357 B10R1.113 c1cnc(cc1C(=O)O)F LS20410 [1,1,0,0,0,0|1,0,0]=3 358 B10R1.113 c1cnc(cc1C(=O)O)N LS20627 [1,1,0,0,0,0|1,0,0]=3 359 B10R1.113 c1cnc(cc1C(=O)O)O LS20483 [1,1,0,0,0,0|1,0,0]=3 360 B10R1.113 c1cnc(cc1Cl)C(=O)N LS20263 [1,1,0,0,0,0|2,0,0]=4 361 B10R1.113 c1cnc(nc1C(=O)O)Cl LS20776 [1,1,0,0,0,0|2,0,0]=4 362 B10R1.2 Cc1c(cccc1F)C=O LS10501 [1,1,0,0,0,0|1,0,0]=3 363 B10R1.2 Cc1cccc(c1F)C=O LS10502 [1,1,0,0,0,0|1,0,0]=3 364 B10R1.2 c1cc(c(c(c1)Br)F)C=O LS11298 [1,1,0,0,0,0|1,0,0]=3 365 B10R1.2 c1cc(c(c(c1)Br)F)CO LS11308 [1,1,0,0,0,0|1,0,1]=4 366 B10R1.2 c1cc(c(c(c1)Cl)F)C=O LS10517 [1,1,0,0,0,0|1,0,0]=3 367 B10R1.2 c1cc(c(c(c1)Cl)O)C=O LS10135 [1,1,0,0,0,0|0,0,0]=2 368 B10R1.2 c1cc(c(c(c1)F)Br)C=O LS10514 [1,1,0,0,0,0|1,0,0]=3 369 B10R1.2 c1cc(c(c(c1)F)Cl)C=O LS10544 [1,1,0,0,0,0|1,0,0]=3 370 B10R1.2 c1cc(c(c(c1)F)F)C=O LS10508 [1,1,0,0,0,0|1,0,0]=3 371 B10R1.2 c1cc(c(c(c1)F)I)C=O LS10507 [1,1,0,0,0,0|1,0,0]=3 372 B10R1.2 c1cc(c(c(c1)F)O)C=O LS10305 [1,1,0,0,0,0|0,0,0]=2 373 B10R1.2 c1cc(c(c(c1)O)O)C=O LS10648 [1,1,0,0,0,0|0,0,0]=2 374 B10R1.4 C=CCc1ccccc1O LS11683 [1,1,0,0,0,0|1,0,0]=3 375 B10R1.4 Cc1ccccc1CCO LS11237 [1,1,0,0,0,0|1,0,1]=4 376 B10R1.4 c1ccc(c(c1)CCO)Br LS11247 [1,1,0,0,0,0|1,0,1]=4 377 B10R1.4 c1ccc(c(c1)CCO)F LS11240 [1,1,0,0,0,0|1,0,1]=4 378 B10R1.20 CCc1ccccc1C=O LS00084 [1,1,0,0,0,0|1,0,0]=3 379 B10R1.20 COc1c(cccn1)C=O LS21173 [1,1,0,0,0,0|1,0,0]=3 380 B10R1.20 COc1ccccc1CCl LS10029 [1,1,0,0,0,0|1,0,1]=4 381 B10R1.20 COc1ccccc1OC LS11385 [1,1,0,0,0,0|2,0,0]=4 382 B10R1.20 c1ccc(c(c1)C=O)C=O LS11855 [1,1,0,0,0,0|0,0,1]=3 383 B10R1.25 Cc1cc(ccc1C=O)F LS10500 [1,1,0,0,0,0|1,0,0]=3 384 B10R1.25 Cc1cc(ccc1C=O)O LS11394 [1,1,0,0,0,0|1,0,0]=3 385 B10R1.25 c1cc(c(cc1Br)Br)CO LS11326 [1,1,0,0,0,0|1,0,1]=4 386 B10R1.25 c1cc(c(cc1Br)F)C=O LS10657 [1,1,0,0,0,0|1,0,0]=3 387 B10R1.25 c1cc(c(cc1Br)O)C=O LS10088 [1,1,0,0,0,0|0,0,0]=2 388 B10R1.25 c1cc(c(cc1Cl)Br)C=O LS10197 [1,1,0,0,0,0|1,0,0]=3 389 B10R1.25 c1cc(c(cc1Cl)F)C=O LS10509 [1,1,0,0,0,0|1,0,0]=3 390 B10R1.25 c1cc(c(cc1Cl)O)C=O LS11382 [1,1,0,0,0,0|0,0,0]=2 391 B10R1.25 c1cc(c(cc1F)Br)C=O LS10393 [1,1,0,0,0,0|1,0,0]=3 392 B10R1.25 c1cc(c(cc1F)Cl)C=O LS11829 [1,1,0,0,0,0|1,0,0]=3 393 B10R1.25 c1cc(c(cc1F)O)C=O LS10219 [1,1,0,0,0,0|0,0,0]=2 394 B10R1.25 c1cc(c(cc1O)Cl)C=O LS11740 [1,1,0,0,0,0|1,0,0]=3 395 B10R1.30 Cc1ccc(c(c1)C=O)Br LS10095 [1,1,0,0,0,0|1,0,0]=3 396 B10R1.30 c1c(cnc(c1C=O)F)Br LS20854 [1,1,0,0,0,0|2,0,0]=4 397 B10R1.30 c1cc(c(cc1Br)C=O)F LS10392 [1,1,0,0,0,0|1,0,0]=3 398 B10R1.30 c1cc(c(cc1Br)C=O)O LS10727 [1,1,0,0,0,0|0,0,0]=2 399 B10R1.30 c1cc(c(cc1Cl)C=O)N LS10227 [1,1,0,0,0,0|1,0,0]=3 400 B10R1.30 c1cc(c(cc1Cl)C=O)O LS11289 [1,1,0,0,0,0|0,0,0]=2 401 B10R1.30 c1cc(c(cc1F)C=O)Br LS10513 [1,1,0,0,0,0|1,0,0]=3 402 B10R1.30 c1cc(c(cc1F)C=O)O LS10505 [1,1,0,0,0,0|0,0,0]=2 403 B10R1.30 c1cc(c(cc1F)CO)Br LS10490 [1,1,0,0,0,0|1,0,1]=4 404 B10R1.30 c1cc(c(cc1I)C=O)O LS11783 [1,1,0,0,0,0|0,0,0]=2 405 B10R1.30 c1cc(c(cc1O)C=O)F LS10101 [1,1,0,0,0,0|1,0,0]=3 406 B10R1.245 c1c(c(c(cn1)Br)C=O)Br LS21174 [1,1,0,0,0,0|2,0,0]=4 407 B10R1.245 c1cc(c(c(c1)Br)C=O)F LS11299 [1,1,0,0,0,0|1,0,0]=3 408 B10R1.245 c1cc(c(c(c1)Br)C=O)O LS11634 [1,1,0,0,0,0|0,0,0]=2 409 B10R1.245 c1cc(c(c(c1)Br)CO)F LS11306 [1,1,0,0,0,0|1,0,1]=4 410 B10R1.245 c1cc(c(c(c1)Cl)C=O)Cl LS11436 [1,1,0,0,0,0|1,0,0]=3 411 B10R1.245 c1cc(c(c(c1)Cl)C=O)O LS11631 [1,1,0,0,0,0|0,0,0]=2 412 B10R1.245 c1cc(c(c(c1)Cl)CO)Cl LS11271 [1,1,0,0,0,0|1,0,1]=4 413 B10R1.245 c1cc(c(c(c1)Cl)CO)F LS11277 [1,1,0,0,0,0|1,0,1]=4 414 B10R1.245 c1cc(c(c(c1)F)C=O)O LS10645 [1,1,0,0,0,0|0,0,0]=2 415 B10R1.245 c1cc(c(c(c1)F)CO)F LS11272 [1,1,0,0,0,0|1,0,1]=4 416 B10R1.245 c1cnc(c(c1Cl)C=O)Cl LS21171 [1,1,0,0,0,0|2,0,0]=4 417 B10R1.149 COC(=O)c1c(ccs1)F LS20067 [0,1,0,0,1,0|2,0,0]=4 418 B10R1.149 Cc1c(ccs1)C(=O)OC LS20060 [0,1,0,0,1,0|2,0,0]=4 419 B12R1.124 c1ccc(c(c1)[C@@H](C(=O)O)N)Cl LS30118 [0,1,0,0,0,1|1,0,0]=3 420 B12R1.127 Cc1ccc(c(c1)CC(=O)O)C LS10689 [0,1,0,0,0,1|1,0,0]=3 421 B12R1.224 Cc1cccc(c1C)CC(=O)O LS10465 [0,1,0,0,0,1|1,0,0]=3 422 B12R1.233 c1cc(c(cc1Br)F)CC(=O)O LS11529 [0,1,0,0,0,1|1,0,0]=3 423 B12R1.371 COC(=O)Cc1ccccc1O LS10128 [0,1,0,0,0,1|0,0,0]=2 424 B12R1.46 B(c1cc(ccc1OC)Cl)(O)O LS11050 [0,2,0,0,0,0|1,0,1]=4 425 B12R1.46 B(c1cc(ccc1OC)F)(O)O LS11053 [0,2,0,0,0,0|1,0,1]=4 426 B12R1.46 COc1c(cc(cn1)Br)C(=O)O LS20039 [0,2,0,0,0,0|1,0,0]=3 427 B12R1.46 COc1ccc(cc1C(=O)O)Cl LS10620 [0,2,0,0,0,0|0,0,0]=2 428 B12R1.46 COc1ccc(cc1C(=O)O)F LS10409 [0,2,0,0,0,0|0,0,0]=2 429 B12R1.46 COc1ccc(cc1[N+](=O)[O-])O LS10060 [0,2,0,0,0,0|1,0,1]=4 430 B12R1.57 COc1cc(ccc1C(=O)O)F LS10248 [0,2,0,0,0,0|0,0,0]=2 431 B12R1.57 COc1cc(ccc1[N+](=O)[O-])F LS10561 [0,2,0,0,0,0|1,0,1]=4 432 B12R1.57 c1cc(c(cc1Cl)CO)[N+](=O)[O-] LS10111 [0,2,0,0,0,0|1,0,1]=4 433 B12R1.77 COC(=O)c1ccccc1CBr LS10148 [0,2,0,0,0,0|1,0,0]=3 434 B12R1.87 B(c1cccc(c1OC)Br)(O)O LS11342 [0,2,0,0,0,0|1,0,1]=4 435 B12R1.87 B(c1cccc(c1OC)F)(O)O LS10421 [0,2,0,0,0,0|1,0,1]=4 436 B12R1.87 COc1c(cccc1Br)[N+](=O)[O-] LS10743 [0,2,0,0,0,0|1,0,1]=4 437 B12R1.261 B(c1ccccc1C(=O)C)(O)O LS10789 [0,2,0,0,0,0|1,0,0]=3 438 B12R1.261 B(c1ccccc1C(=O)O)(O)O LS10794 [0,2,0,0,0,0|0,0,0]=2 439 B12R1.261 B(c1ccccc1[N+](=O)[O-])(O)O LS10814 [0,2,0,0,0,0|1,0,1]=4 440 B12R1.261 CC(=O)c1ccccc1[N+](=O)[O-] LS10730 [0,2,0,0,0,0|1,0,1]=4 441 B12R1.261 c1cc(c(nc1)C(=O)O)C(=O)O LS20272 [0,2,0,0,0,0|1,0,0]=3 442 B12R1.261 c1ccc(c(c1)C(=O)O)I(=O)=O LS40397 [0,2,0,0,0,0|0,0,1]=3 443 B12R1.261 c1cnc(c(n1)C(=O)O)C(=O)O LS20283 [0,2,0,0,0,0|2,0,0]=4 444 B12R1.261 c1cncc(c1C(=O)O)C(=O)O LS20440 [0,2,0,0,0,0|1,0,0]=3 445 B12R1.283 B(c1ccccc1OCC)(O)O LS10796 [0,2,0,0,0,0|1,0,1]=4 446 B12R1.437 B(c1c(cccc1F)OC)(O)O LS10985 [0,2,0,0,0,0|1,0,1]=4 447 B12R1.437 CCc1cccc(c1C(=O)O)N LS10158 [0,2,0,0,0,0|1,0,0]=3 448 B12R1.437 Cc1cccc(c1C(=O)O)OC LS10746 [0,2,0,0,0,0|0,0,0]=2 449 B12R1.128 c1cc(c(cc1N)S(=O)(=O)O)N LS10707 [0,2,0,0,0,0|2,0,0]=4 450 B12R1.128 c1cc(c(cc1O)S(=O)(=O)[O-])O LS40355 [0,2,0,0,0,0|1,0,1]=4 451 B12R1.128 c1cc(c(cc1O)S(=O)(=O)[O-])O LS40554 [0,2,0,0,0,0|1,0,1]=4 452 B12R1.894 c1cc(c(c(c1Cl)C(=O)O)N)Cl LS11461 [0,2,0,0,0,0|1,0,0]=3 453 B12R1.894 c1cc(c(c(c1N)F)C(=O)O)F LS10203 [0,2,0,0,0,0|1,0,0]=3 454 B12R1.1000 CC(=O)c1c(cc(cc1F)Br)F LS11309 [0,2,0,0,0,0|2,0,0]=4 455 B12R1.1000 Cc1cc(cc(c1C(=O)O)Br)F LS10527 [0,2,0,0,0,0|1,0,0]=3 456 B12R1.1000 c1c(cc(c(c1Cl)C(=O)Cl)Cl)Cl LS10131 [0,2,0,0,0,0|2,0,0]=4 457 B12R1.1000 c1c(cc(c(c1F)C(=O)O)Cl)Cl LS10075 [0,2,0,0,0,0|1,0,0]=3 458 B12R1.1000 c1c(cc(c(c1F)C(=O)O)F)Br LS10464 [0,2,0,0,0,0|1,0,0]=3 459 B12R1.1000 c1c(cc(c(c1O)C(=O)O)O)O LS11467 [0,2,0,0,0,0|0,0,0]=2 460 B12R1.1000 c1c(cc(c(c1O)C(=O)O)O)O LS11468 [0,2,0,0,0,0|0,0,0]=2 461 B12R1.1000 c1c(cc(c(c1O)[N+](=O)[O-])F)F LS10677 [0,2,0,0,0,0|1,0,1]=4 462 B12R1.24 COC(=O)c1cccc(c1F)N LS10072 [0,2,0,0,0,0|1,0,0]=3 463 B12R1.24 COC(=O)c1cccc(c1N)Cl LS11487 [0,2,0,0,0,0|1,0,0]=3 464 B12R1.24 COC(=O)c1cccc(c1N)O LS10153 [0,2,0,0,0,0|1,0,0]=3 465 B12R1.440 COc1cccc(c1N)C(=O)O LS00056 [0,2,0,0,0,0|1,0,0]=3 466 B12R1.440 c1cc(c(c(c1)C(=O)O)F)CO LS10102 [0,2,0,0,0,0|1,0,0]=3 467 B12R1.511 Cc1cc(c(c(c1)C(=O)O)N)C LS11350 [0,2,0,0,0,0|1,0,0]=3 468 B12R1.511 Cc1cc(cc(c1N)C(=O)O)Cl LS11466 [0,2,0,0,0,0|1,0,0]=3 469 B12R1.511 c1c(cc(c(c1C(=O)O)Br)F)F LS10245 [0,2,0,0,0,0|1,0,0]=3 470 B12R1.511 c1c(cc(c(c1C(=O)O)Cl)F)F LS11780 [0,2,0,0,0,0|1,0,0]=3 471 B12R1.511 c1c(cc(c(c1C(=O)O)O)Cl)Cl LS11872 [0,2,0,0,0,0|0,0,0]=2 472 B12R1.511 c1c(cc(c(c1C(=O)O)O)I)I LS11419 [0,2,0,0,0,0|0,0,0]=2 473 B12R1.511 c1c(cc(c(c1C(=O)O)O)N)N LS10764 [0,2,0,0,0,0|0,0,0]=2 474 B12R1.893 c1cc(c(c(c1C(=O)O)Br)F)F LS10246 [0,2,0,0,0,0|1,0,0]=3 475 B12R1.893 c1cc(c(c(c1C(=O)O)F)F)Br LS10244 [0,2,0,0,0,0|1,0,0]=3 476 B12R1.893 c1cc(c(c(c1C(=O)O)F)F)F LS11172 [0,2,0,0,0,0|1,0,0]=3 477 B12R1.893 c1cc(c(c(c1C(=O)O)F)O)F LS10250 [0,2,0,0,0,0|1,0,0]=3 478 B12R1.893 c1cc(c(c(c1C(=O)[O-])F)F)F LS11173 [0,2,0,0,0,0|1,0,1]=4 479 B12R1.232 Cc1cc(c(cc1Br)F)C(=O)O LS10525 [0,2,0,0,0,0|1,0,0]=3 480 B12R1.232 Cc1cc(c(cc1F)Br)C(=O)O LS10528 [0,2,0,0,0,0|1,0,0]=3 481 B12R1.232 Cc1cc(c(cc1F)C(=O)O)Br LS10526 [0,2,0,0,0,0|1,0,0]=3 482 B12R1.232 Cc1cc(c(cc1F)F)C(=O)O LS10201 [0,2,0,0,0,0|1,0,0]=3 483 B12R1.232 c1c(c(cc(c1Br)Cl)F)C(=O)O LS11501 [0,2,0,0,0,0|1,0,0]=3 484 B12R1.232 c1c(c(cc(c1Br)O)O)C(=O)O LS10163 [0,2,0,0,0,0|0,0,0]=2 485 B12R1.232 c1c(c(cc(c1Cl)Cl)N)C(=O)O LS10030 [0,2,0,0,0,0|1,0,0]=3 486 B12R1.232 c1c(c(cc(c1F)Br)Cl)C(=O)O LS10529 [0,2,0,0,0,0|1,0,0]=3 487 B12R1.232 c1c(c(cc(c1F)Cl)Cl)C(=O)O LS10531 [0,2,0,0,0,0|1,0,0]=3 488 B12R1.232 c1c(c(cc(c1F)F)F)C(=O)O LS11174 [0,2,0,0,0,0|1,0,0]=3 489 B12R1.452 CC(=O)c1ccc(cc1F)OC LS11613 [0,2,0,0,0,0|2,0,0]=4 490 B12R1.452 COc1ccc(c(c1)Cl)C(=O)O LS11741 [0,2,0,0,0,0|1,0,0]=3 491 B12R1.452 COc1ccc(c(c1)N)C(=O)O LS10553 [0,2,0,0,0,0|1,0,0]=3 492 B12R1.452 c1cc(c(cc1C#N)F)C(=O)O LS11606 [0,2,0,0,0,0|1,0,0]=3 493 B12R1.1703 COC(=O)c1ccc(cc1F)Br LS11210 [0,2,0,0,0,0|1,0,0]=3 494 B12R1.1703 COC(=O)c1ccc(cc1F)F LS11835 [0,2,0,0,0,0|1,0,0]=3 495 B12R1.1703 COC(=O)c1ccc(cc1O)O LS10726 [0,2,0,0,0,0|0,0,0]=2 496 B12R1.1703 Cc1cc(cnc1C(=O)OC)Br LS20025 [0,2,0,0,0,0|2,0,0]=4 497 B12R1.354 COC(=O)c1cc(ccc1Br)F LS11833 [0,2,0,0,0,0|1,0,0]=3 498 B12R1.354 COC(=O)c1cc(ccc1I)Br LS10771 [0,2,0,0,0,0|1,0,0]=3 499 B12R1.354 COC(=O)c1cc(ccc1N)Cl LS10357 [0,2,0,0,0,0|1,0,0]=3 500 B12R1.354 COC(=O)c1cc(ccc1O)Cl LS10755 [0,2,0,0,0,0|0,0,0]=2 501 B12R1.354 Cc1ccc(c(c1)C(=O)OC)I LS10697 [0,2,0,0,0,0|1,0,0]=3 502 B12R1.354 Cc1ccc(cc1C(=O)OC)Br LS10769 [0,2,0,0,0,0|1,0,0]=3 503 B12R1.453 COc1ccc(c(c1)C(=O)O)N LS11463 [0,2,0,0,0,0|1,0,0]=3 504 B12R1.453 COc1ccc(c(c1)C(=O)O)O LS11288 [0,2,0,0,0,0|0,0,0]=2 505 B12R1.453 c1cc(c(cc1C#N)[N+](=O)[O-])O LS10166 [0,2,0,0,0,0|1,0,1]=4 506 B12R1.453 c1cc(c(cc1C=O)C(=O)O)O LS10658 [0,2,0,0,0,0|0,0,0]=2 507 B12R1.308 CCOC(=O)c1ccccc1Cl LS10629 [0,2,0,0,0,0|1,0,0]=3 508 B12R1.308 CCOC(=O)c1cccnc1C LS21134 [0,2,0,0,0,0|2,0,0]=4 509 B12R1.308 CCOC(=O)c1ccncc1N LS20034 [0,2,0,0,0,0|2,0,0]=4 510 B10R1.66 c1cc(sc1)\C=C\C(=O)O LS20822 [0,0,1,1,0,0|0,1,0]=3 511 B10R2.7 c1ccc2c(c1)CC=C2 LS11754 [1,0,0,1,0,0|2,0,0]=4 512 B10R2.7 c1ccc2c(c1)OCO2 LS10418 [1,0,0,1,0,0|2,0,0]=4 513 B10R2.7 c1ccc2c(c1)ccs2 LS40109 [1,0,0,1,0,0|1,1,0]=4 514 B10R2.7 c1ccc2c(c1)cn[nH]2 LS20969 [1,0,0,1,0,0|2,0,0]=4 515 B12R2.24 c1cc2c(nc1)NC(=O)CO2 LS40780 [0,0,0,1,0,1|2,0,0]=4 516 B12R2.24 c1ccc2c(c1)CCC(=O)C2 LS41173 [0,0,0,1,0,1|2,0,0]=4 517 B12R2.24 c1ccc2c(c1)NC(=O)CO2 LS40207 [0,0,0,1,0,1|1,0,0]=3 518 B12R2.202 c1cc2c(c(c1)Br)CC(=O)N2 LS40252 [0,0,0,1,0,1|2,0,0]=4 519 B12R2.1081 c1ccc2c(c1)c(=O)[nH]nn2 LS41926 [0,1,0,1,0,0|2,0,0]=4 520 B12R2.1081 c1ccc2c(c1)c(ccn2)O LS21125 [0,1,0,1,0,0|2,0,0]=4 521 B12R2.2028 c1ccc2c(c1)C(OC2=O)Br LS40549 [0,1,0,1,0,0|1,0,0]=3 522 B12R2.196 c1cc2c(c(c1)O)CCC2=O LS40238 [0,1,0,1,0,0|2,0,0]=4 523 B12R2.612 c1cc2c(cc1Br)COC2=O LS40024 [0,1,0,1,0,0|1,0,0]=3 524 B12R2.612 c1cc2c(cc1Cl)CCC2=O LS00023 [0,1,0,1,0,0|2,0,0]=4 525 B12R2.612 c1cc2c(cc1Cl)onc2O LS40223 [0,1,0,1,0,0|1,0,0]=3 526 B12R2.612 c1cc2c(cc1F)CCC2=O LS20516 [0,1,0,1,0,0|2,0,0]=4 527 B12R2.612 c1cc2c(cc1O)CCC2=O LS40251 [0,1,0,1,0,0|2,0,0]=4 528 B12R2.612 c1cc2c(cc1O)OCC2=O LS21028 [0,1,0,1,0,0|1,0,0]=3 529 B12R2.1 c1ccc2c(c1)c(c[nH]2)CO LS20980 [0,1,0,1,0,0|2,0,0]=4 530 B12R2.1 c1ccc2c(c1)c(n[nH]2)C=O LS21172 [0,1,0,1,0,0|2,0,0]=4 531 B12R2.18 c1ccc2c(c1)C(=O)C(=O)N2 LS21014 [0,1,0,1,0,0|1,0,1]=4 532 B8R1.7 CC(=O)c1cccs1 LS20643 [1,0,0,0,1,0|2,0,0]=4 533 B8R1.7 CC(=O)c1ccsc1 LS20391 [1,0,0,0,1,0|2,0,0]=4 534 B8R1.7 c1c(cn[nH]1)C(=O)O LS21130 [1,0,0,0,1,0|2,0,0]=4 535 B8R1.7 c1c(con1)C(=O)O LS20144 [1,0,0,0,1,0|2,0,0]=4 536 B8R1.7 c1c(nc[nH]1)C(=O)O LS20993 [1,0,0,0,1,0|2,0,0]=4 537 B8R1.7 c1c(nco1)C(=O)O LS41294 [1,0,0,0,1,0|2,0,0]=4 538 B8R1.7 c1c(ncs1)C(=O)O LS21061 [1,0,0,0,1,0|2,0,0]=4 539 B8R1.7 c1cc([nH]c1)C(=O)O LS20064 [1,0,0,0,1,0|1,0,0]=3 540 B8R1.7 c1cc(sc1)C(=O)Cl LS20650 [1,0,0,0,1,0|2,0,0]=4 541 B8R1.7 c1cc(sc1)C(=O)O LS20648 [1,0,0,0,1,0|1,0,0]=3 542 B8R1.7 c1cc(sc1)C(=O)[O-] LS21106 [1,0,0,0,1,0|1,0,1]=4 543 B8R1.7 c1cnc([nH]1)C(=O)O LS20563 [1,0,0,0,1,0|2,0,0]=4 544 B8R1.7 c1cnoc1C(=O)O LS20280 [1,0,0,0,1,0|2,0,0]=4 545 B8R1.7 c1conc1C(=O)O LS20146 [1,0,0,0,1,0|2,0,0]=4 546 B8R1.7 c1cscc1C(=O)Cl LS20651 [1,0,0,0,1,0|2,0,0]=4 547 B8R1.7 c1cscc1C(=O)O LS20647 [1,0,0,0,1,0|1,0,0]=3 548 B8R1.11 Cc1ccsc1C=O LS20658 [1,0,0,0,1,0|2,0,0]=4