0 B9R1.6 B(c1ccccc1)(O)O LS00011 [0,0,0,0,0,0|3,0,1]=4 1 B9R1.6 B(c1ccncn1)(O)O LS11623 [0,0,0,0,0,0|3,0,1]=4 2 B9R1.6 CC(=O)c1cccnc1 LS20960 [0,0,0,0,0,0|2,0,0]=2 3 B9R1.6 C[C@@H](c1ccccc1)N LS30171 [0,0,0,0,0,0|2,0,1]=3 4 B9R1.6 C[C@H](c1ccccc1)N LS30099 [0,0,0,0,0,0|2,0,1]=3 5 B9R1.6 c1cc(cnc1)C(=S)N LS40686 [0,0,0,0,0,0|3,1,0]=4 6 B9R1.6 c1ccc(cc1)C(=N)N LS10719 [0,0,0,0,0,0|3,0,0]=3 7 B9R1.6 c1ccc(cc1)C(=O)O LS41489 [0,0,0,0,0,0|2,0,0]=2 8 B9R1.6 c1ccc(cc1)C(=S)N LS10766 [0,0,0,0,0,0|2,1,0]=3 9 B9R1.6 c1ccnc(c1)C(=N)N LS21180 [0,0,0,0,0,0|2,0,0]=2 10 B9R1.6 c1cnc(cn1)C(=O)O LS20078 [0,0,0,0,0,0|2,0,0]=2 11 B9R1.6 c1cnc(nc1)C(=O)O LS20267 [0,0,0,0,0,0|2,0,0]=2 12 B9R1.6 c1cncnc1C(=O)O LS20389 [0,0,0,0,0,0|2,0,0]=2 13 B8R1.2 C#Cc1ccccc1 LS10701 [1,0,0,0,0,0|1,0,2]=4 14 B8R1.2 CNc1cccnc1 LS20470 [1,0,0,0,0,0|3,0,0]=4 15 B8R1.2 c1cc(cnc1)C=O LS20485 [1,0,0,0,0,0|2,0,0]=3 16 B8R1.2 c1ccc(cc1)C=O LS41490 [1,0,0,0,0,0|1,0,0]=2 17 B8R1.2 c1ccc(cc1)CO LS41488 [1,0,0,0,0,0|1,0,2]=4 18 B8R1.2 c1cnc(cn1)CN LS20127 [1,0,0,0,0,0|2,0,1]=4 19 B8R1.2 c1cnc(cn1)CN LS20128 [1,0,0,0,0,0|2,0,1]=4 20 B8R1.2 c1cnccc1C=O LS20943 [1,0,0,0,0,0|2,0,0]=3 21 B10R1.13 CC(=O)c1ccc(cc1)Br LS11874 [0,1,0,0,0,0|1,0,0]=2 22 B10R1.13 CC(=O)c1ccc(cc1)F LS11575 [0,1,0,0,0,0|1,0,0]=2 23 B10R1.13 CC(=O)c1ccc(cc1)N LS10360 [0,1,0,0,0,0|1,0,0]=2 24 B10R1.13 CC(=O)c1ccc(cc1)O LS10359 [0,1,0,0,0,0|1,0,0]=2 25 B10R1.13 CC(=O)c1ccc(cn1)Br LS20859 [0,1,0,0,0,0|0,0,0]=1 26 B10R1.13 CC(=O)c1ccc(nc1)Br LS21178 [0,1,0,0,0,0|2,0,0]=3 27 B10R1.13 CN(C)c1ccc(cc1)Br LS10693 [0,1,0,0,0,0|3,0,0]=4 28 B10R1.13 CN(C)c1ccc(cc1)Cl LS10239 [0,1,0,0,0,0|3,0,0]=4 29 B10R1.13 Cc1ccc(cn1)C(=O)O LS20541 [0,1,0,0,0,0|3,0,0]=4 30 B10R1.13 Cc1ncc(cn1)C(=O)C LS20101 [0,1,0,0,0,0|3,0,0]=4 31 B10R1.13 c1c(ncc(n1)Cl)C(=O)O LS20205 [0,1,0,0,0,0|2,0,0]=3 32 B10R1.13 c1c(ncc(n1)O)C(=O)O LS20206 [0,1,0,0,0,0|2,0,0]=3 33 B10R1.13 c1cc(ccc1C(=N)N)Br LS00131 [0,1,0,0,0,0|3,0,0]=4 34 B10R1.13 c1cc(ccc1C(=O)Cl)N LS11728 [0,1,0,0,0,0|2,0,0]=3 35 B10R1.13 c1cc(ccc1C(=O)O)Cl LS10674 [0,1,0,0,0,0|2,0,0]=3 36 B10R1.13 c1cc(ccc1N)[N+](=O)[O-] LS10622 [0,1,0,0,0,0|3,0,0]=4 37 B10R1.13 c1cc(ccc1[N+](=O)[O-])Cl LS10621 [0,1,0,0,0,0|3,0,0]=4 38 B10R1.13 c1cc(ncc1Br)C(=O)O LS20244 [0,1,0,0,0,0|1,0,0]=2 39 B10R1.13 c1cc(ncc1C(=O)O)Cl LS20664 [0,1,0,0,0,0|3,0,0]=4 40 B10R1.13 c1cc(ncc1C(=O)O)N LS20730 [0,1,0,0,0,0|3,0,0]=4 41 B10R1.13 c1cc(ncc1F)C(=O)O LS20092 [0,1,0,0,0,0|1,0,0]=2 42 B10R1.15 CC(CN)c1ccccc1 LS10637 [0,1,0,0,0,0|2,0,1]=4 43 B10R1.15 CC(CN)c1ccccc1 LS10638 [0,1,0,0,0,0|2,0,1]=4 44 B10R1.15 CC[C@@H](c1ccccc1)N LS30125 [0,1,0,0,0,0|2,0,1]=4 45 B10R1.15 CC[C@H](c1ccccc1)N LS30175 [0,1,0,0,0,0|2,0,1]=4 46 B10R1.15 COC(=O)c1cccnc1 LS20584 [0,1,0,0,0,0|2,0,0]=3 47 B10R1.15 C[C@@H](CN)c1ccccc1 LS30174 [0,1,0,0,0,0|2,0,1]=4 48 B10R1.15 C[C@H](CN)c1ccccc1 LS30173 [0,1,0,0,0,0|2,0,1]=4 49 B10R1.15 c1ccc(cc1)C(=O)CBr LS11352 [0,1,0,0,0,0|1,0,0]=2 50 B10R1.15 c1ccc(cc1)C(=O)CCl LS11677 [0,1,0,0,0,0|1,0,0]=2 51 B10R1.15 c1ccc(cc1)C(=O)CO LS10613 [0,1,0,0,0,0|1,0,0]=2 52 B10R1.15 c1ccc(cc1)[C@@H](CO)N LS30212 [0,1,0,0,0,0|2,0,1]=4 53 B10R1.15 c1ccc(cc1)[C@@H](CO)O LS30263 [0,1,0,0,0,0|1,0,2]=4 54 B10R1.15 c1ccc(cc1)[C@H](CO)N LS30213 [0,1,0,0,0,0|2,0,1]=4 55 B10R1.15 c1ccc(cc1)[C@H](CO)O LS30264 [0,1,0,0,0,0|1,0,2]=4 56 B10R1.28 CC(C)(c1ccccc1)O LS11531 [0,1,0,0,0,0|1,0,2]=4 57 B10R1.28 c1ccc(cc1)P(=O)(Cl)Cl LS40262 [0,1,0,0,0,0|3,0,0]=4 58 B10R1.28 c1ccc(cc1)S(=O)(=O)O LS10672 [0,1,0,0,0,0|3,0,0]=4 59 B10R1.28 c1ccc(cc1)S(=O)(=O)[O-] LS40553 [0,1,0,0,0,0|3,0,0]=4 60 B10R1.61 CC(=O)c1ccccc1N LS10731 [0,1,0,0,0,0|1,0,0]=2 61 B10R1.61 CC(=O)c1ccccc1O LS10607 [0,1,0,0,0,0|1,0,0]=2 62 B10R1.61 CC(=O)c1cccnc1Cl LS20570 [0,1,0,0,0,0|2,0,0]=3 63 B10R1.61 CN(C)c1ccccc1Br LS10558 [0,1,0,0,0,0|3,0,0]=4 64 B10R1.61 CN(C)c1ccccc1Cl LS10168 [0,1,0,0,0,0|3,0,0]=4 65 B10R1.61 CN(C)c1ccccc1F LS10242 [0,1,0,0,0,0|3,0,0]=4 66 B10R1.61 C[C@H](c1ccccc1Cl)O LS30121 [0,1,0,0,0,0|1,0,2]=4 67 B10R1.61 Cc1c(cccn1)C(=O)N LS20770 [0,1,0,0,0,0|3,0,0]=4 68 B10R1.61 Cc1c(cccn1)C(=O)O LS20435 [0,1,0,0,0,0|3,0,0]=4 69 B10R1.61 Cc1ccccc1C(=O)O LS10119 [0,1,0,0,0,0|2,0,0]=3 70 B10R1.61 Cc1cccnc1C(=O)O LS20983 [0,1,0,0,0,0|1,0,0]=2 71 B10R1.61 c1cc(c(nc1)Br)C(=O)O LS20396 [0,1,0,0,0,0|3,0,0]=4 72 B10R1.61 c1cc(c(nc1)C(=O)O)F LS20394 [0,1,0,0,0,0|1,0,0]=2 73 B10R1.61 c1cc(c(nc1)C(=O)O)N LS00020 [0,1,0,0,0,0|1,0,0]=2 74 B10R1.61 c1cc(c(nc1)Cl)C(=O)O LS20665 [0,1,0,0,0,0|3,0,0]=4 75 B10R1.61 c1cc(c(nc1)N)C(=O)O LS20530 [0,1,0,0,0,0|3,0,0]=4 76 B10R1.61 c1cc(c(nc1)O)C(=O)O LS20423 [0,1,0,0,0,0|3,0,0]=4 77 B10R1.61 c1cc(c(nc1)S)C(=O)O LS20725 [0,1,0,0,0,0|3,0,0]=4 78 B10R1.61 c1cc(c(nc1)[N+](=O)[O-])F LS20935 [0,1,0,0,0,0|2,0,0]=3 79 B10R1.61 c1cc(c(nc1)[N+](=O)[O-])O LS20836 [0,1,0,0,0,0|2,0,0]=3 80 B10R1.61 c1ccc(c(c1)C(=O)N)N LS11473 [0,1,0,0,0,0|2,0,0]=3 81 B10R1.61 c1ccc(c(c1)C(=O)O)Br LS10336 [0,1,0,0,0,0|2,0,0]=3 82 B10R1.61 c1ccc(c(c1)C(=O)O)Cl LS10675 [0,1,0,0,0,0|2,0,0]=3 83 B10R1.61 c1ccc(c(c1)C(=O)O)I LS00003 [0,1,0,0,0,0|2,0,0]=3 84 B10R1.61 c1ccc(c(c1)N)[N+](=O)[O-] LS11572 [0,1,0,0,0,0|3,0,0]=4 85 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])Br LS11477 [0,1,0,0,0,0|3,0,0]=4 86 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])I LS11476 [0,1,0,0,0,0|3,0,0]=4 87 B10R1.61 c1cnc(c(n1)C(=O)O)O LS20287 [0,1,0,0,0,0|2,0,0]=3 88 B10R1.61 c1cncc(c1C(=O)O)Br LS20726 [0,1,0,0,0,0|3,0,0]=4 89 B10R1.61 c1cncc(c1C(=O)O)F LS20409 [0,1,0,0,0,0|3,0,0]=4 90 B10R1.61 c1cncc(c1C(=O)O)N LS20439 [0,1,0,0,0,0|3,0,0]=4 91 B10R1.61 c1cncc(c1C(=O)O)O LS20035 [0,1,0,0,0,0|3,0,0]=4 92 B10R1.61 c1cncc(c1Cl)C(=O)O LS20834 [0,1,0,0,0,0|3,0,0]=4 93 B10R1.113 CC(=O)c1cccc(c1)N LS11527 [0,1,0,0,0,0|1,0,0]=2 94 B10R1.113 CC(=O)c1cccc(n1)Br LS20488 [0,1,0,0,0,0|0,0,0]=1 95 B10R1.113 CN(C)c1cccc(c1)O LS11214 [0,1,0,0,0,0|3,0,0]=4 96 B10R1.113 Cc1ccnc(c1)C(=O)C LS21177 [0,1,0,0,0,0|0,0,0]=1 97 B10R1.113 c1c(cncc1Br)C(=O)O LS20729 [0,1,0,0,0,0|3,0,0]=4 98 B10R1.113 c1c(cncc1Cl)C(=O)O LS20728 [0,1,0,0,0,0|3,0,0]=4 99 B10R1.113 c1c(cncc1N)C(=O)O LS20110 [0,1,0,0,0,0|3,0,0]=4 100 B10R1.113 c1c(cncc1O)C(=O)O LS20727 [0,1,0,0,0,0|3,0,0]=4 101 B10R1.113 c1c(nc(cn1)Cl)C(=O)O LS20459 [0,1,0,0,0,0|2,0,0]=3 102 B10R1.113 c1c(ncnc1O)C(=O)O LS20104 [0,1,0,0,0,0|2,0,0]=3 103 B10R1.113 c1cc(cc(c1)Br)C(=N)N LS10543 [0,1,0,0,0,0|3,0,0]=4 104 B10R1.113 c1cc(cc(c1)O)[N+](=O)[O-] LS11800 [0,1,0,0,0,0|3,0,0]=4 105 B10R1.113 c1cc(nc(c1)Br)C(=O)O LS20438 [0,1,0,0,0,0|1,0,0]=2 106 B10R1.113 c1cc(nc(c1)Cl)C(=O)O LS20264 [0,1,0,0,0,0|1,0,0]=2 107 B10R1.113 c1cnc(cc1C(=O)O)Br LS20245 [0,1,0,0,0,0|3,0,0]=4 108 B10R1.113 c1cnc(cc1C(=O)O)Cl LS20583 [0,1,0,0,0,0|3,0,0]=4 109 B10R1.113 c1cnc(cc1C(=O)O)F LS20410 [0,1,0,0,0,0|3,0,0]=4 110 B10R1.113 c1cnc(cc1C(=O)O)N LS20627 [0,1,0,0,0,0|3,0,0]=4 111 B10R1.113 c1cnc(cc1C(=O)O)O LS20483 [0,1,0,0,0,0|3,0,0]=4 112 B10R1.113 c1cnc(cc1Cl)C(=O)N LS20263 [0,1,0,0,0,0|1,0,0]=2 113 B10R1.113 c1cnc(nc1C(=O)O)Cl LS20776 [0,1,0,0,0,0|2,0,0]=3 114 B8R1.7 CC(=O)c1c[nH]cn1 LS20519 [0,0,0,0,1,0|1,0,0]=2 115 B8R1.7 CC(=O)c1cccs1 LS20643 [0,0,0,0,1,0|1,0,0]=2 116 B8R1.7 CC(=O)c1ccsc1 LS20391 [0,0,0,0,1,0|1,0,0]=2 117 B8R1.7 CC(C)c1c[nH]cn1 LS21206 [0,0,0,0,1,0|2,0,1]=4 118 B8R1.7 c1c(cn[nH]1)C(=O)O LS21130 [0,0,0,0,1,0|3,0,0]=4 119 B8R1.7 c1c(con1)C(=O)O LS20144 [0,0,0,0,1,0|3,0,0]=4 120 B8R1.7 c1c(nc[nH]1)C(=O)O LS20993 [0,0,0,0,1,0|2,0,0]=3 121 B8R1.7 c1c(nco1)C(=O)O LS41294 [0,0,0,0,1,0|2,0,0]=3 122 B8R1.7 c1c(ncs1)C(=O)N LS21083 [0,0,0,0,1,0|2,0,0]=3 123 B8R1.7 c1c(ncs1)C(=O)O LS21061 [0,0,0,0,1,0|2,0,0]=3 124 B8R1.7 c1c[nH]nc1[N+](=O)[O-] LS20161 [0,0,0,0,1,0|3,0,0]=4 125 B8R1.7 c1cc([nH]c1)C(=O)O LS20064 [0,0,0,0,1,0|1,0,1]=3 126 B8R1.7 c1cc(sc1)C(=O)Cl LS20650 [0,0,0,0,1,0|2,0,0]=3 127 B8R1.7 c1cc(sc1)C(=O)O LS20648 [0,0,0,0,1,0|2,0,0]=3 128 B8R1.7 c1cc(sc1)C(=O)[O-] LS21106 [0,0,0,0,1,0|2,0,0]=3 129 B8R1.7 c1cnc([nH]1)C(=O)O LS20563 [0,0,0,0,1,0|2,0,0]=3 130 B8R1.7 c1cnn(c1)C(=N)N LS41433 [0,0,0,0,1,0|3,0,0]=4 131 B8R1.7 c1cnoc1C(=O)O LS20280 [0,0,0,0,1,0|3,0,0]=4 132 B8R1.7 c1conc1C(=O)O LS20146 [0,0,0,0,1,0|2,0,0]=3 133 B8R1.7 c1cscc1C(=O)Cl LS20651 [0,0,0,0,1,0|2,0,0]=3 134 B8R1.7 c1cscc1C(=O)O LS20647 [0,0,0,0,1,0|2,0,0]=3 135 B10R1.18 CC(=O)Cc1ccncc1 LS00130 [0,0,0,0,0,1|2,0,0]=3 136 B10R1.18 c1ccc(cc1)CC(=O)N LS11701 [0,0,0,0,0,1|2,0,0]=3 137 B7R1.3 c1cc[nH]c(=O)c1 LS41474 [2,0,0,0,0,0|0,0,1]=3 138 B7R1.3 c1ccnc(c1)Br LS20874 [2,0,0,0,0,0|1,0,0]=3 139 B7R1.3 c1ccnc(c1)F LS20778 [2,0,0,0,0,0|1,0,0]=3 140 B7R1.3 c1ccnc(c1)N LS20582 [2,0,0,0,0,0|1,0,0]=3 141 B7R1.3 c1cnc(cn1)Cl LS20940 [2,0,0,0,0,0|2,0,0]=4 142 B7R1.3 c1cnc(nc1)N LS20478 [2,0,0,0,0,0|2,0,0]=4 143 B9R1.1 C=Cc1ccc(cc1)Br LS11650 [1,1,0,0,0,0|1,0,1]=4 144 B9R1.1 C=Cc1ccc(cc1)Cl LS11649 [1,1,0,0,0,0|1,0,1]=4 145 B9R1.1 CCc1ccc(cc1)F LS11765 [1,1,0,0,0,0|1,0,1]=4 146 B9R1.1 CCc1ccc(cn1)Br LS21179 [1,1,0,0,0,0|0,0,1]=3 147 B9R1.1 COc1ccc(cc1)O LS10474 [1,1,0,0,0,0|2,0,0]=4 148 B9R1.1 COc1ccc(cc1)S LS11831 [1,1,0,0,0,0|2,0,0]=4 149 B9R1.1 COc1ccc(cn1)Br LS21039 [1,1,0,0,0,0|1,0,0]=3 150 B9R1.1 COc1ccc(cn1)F LS20238 [1,1,0,0,0,0|1,0,0]=3 151 B9R1.1 COc1ccc(cn1)N LS20615 [1,1,0,0,0,0|1,0,0]=3 152 B9R1.1 COc1ncc(cn1)N LS21217 [1,1,0,0,0,0|2,0,0]=4 153 B9R1.1 CSc1cnc(cn1)Br LS20173 [1,1,0,0,0,0|2,0,0]=4 154 B9R1.1 Cc1ccc(nc1)C#N LS20218 [1,1,0,0,0,0|1,0,1]=4 155 B9R1.1 Cc1ccc(nc1)OC LS20323 [1,1,0,0,0,0|1,0,0]=3 156 B9R1.1 c1cc(ccc1C=O)Cl LS10198 [1,1,0,0,0,0|1,0,0]=3 157 B9R1.1 c1cc(ncc1Br)C#N LS20014 [1,1,0,0,0,0|1,0,1]=4 158 B9R1.1 c1cc(ncc1Br)C=O LS20518 [1,1,0,0,0,0|0,0,0]=2 159 B9R1.1 c1cc(ncc1Br)CO LS20572 [1,1,0,0,0,0|0,0,2]=4 160 B9R1.1 c1cc(ncc1Br)NN LS20208 [1,1,0,0,0,0|2,0,0]=4 161 B9R1.1 c1cc(ncc1C=O)Br LS20544 [1,1,0,0,0,0|2,0,0]=4 162 B9R1.1 c1cc(ncc1C=O)Cl LS20242 [1,1,0,0,0,0|2,0,0]=4 163 B9R1.1 c1cc(ncc1Cl)C#N LS20081 [1,1,0,0,0,0|1,0,1]=4 164 B9R1.1 c1cc(ncc1Cl)C=O LS20775 [1,1,0,0,0,0|0,0,0]=2 165 B9R1.1 c1cc(ncc1F)C#N LS20040 [1,1,0,0,0,0|1,0,1]=4 166 B9R1.2 C=Cc1cccc(c1)Br LS11651 [1,1,0,0,0,0|1,0,1]=4 167 B9R1.2 C=Cc1cccc(c1)Cl LS11652 [1,1,0,0,0,0|1,0,1]=4 168 B9R1.2 C=Cc1cccc(c1)F LS11648 [1,1,0,0,0,0|1,0,1]=4 169 B9R1.2 CNc1cccc(c1)Cl LS10187 [1,1,0,0,0,0|2,0,0]=4 170 B9R1.2 COc1cc(ccn1)Br LS21151 [1,1,0,0,0,0|1,0,0]=3 171 B9R1.2 COc1cc(ccn1)Cl LS20320 [1,1,0,0,0,0|1,0,0]=3 172 B9R1.2 COc1cc(ccn1)N LS20329 [1,1,0,0,0,0|1,0,0]=3 173 B9R1.2 COc1cccc(n1)Cl LS20709 [1,1,0,0,0,0|1,0,0]=3 174 B9R1.2 COc1cccc(n1)N LS20232 [1,1,0,0,0,0|1,0,0]=3 175 B9R1.2 Cc1cccc(c1)C=O LS11853 [1,1,0,0,0,0|1,0,0]=3 176 B9R1.2 Cc1cccc(n1)CO LS20207 [1,1,0,0,0,0|0,0,2]=4 177 B9R1.2 c1c(cncc1Br)C=O LS20038 [1,1,0,0,0,0|2,0,0]=4 178 B9R1.2 c1cc(cc(c1)I)C=O LS10324 [1,1,0,0,0,0|1,0,0]=3 179 B9R1.2 c1cc(cc(c1)O)C=O LS10593 [1,1,0,0,0,0|1,0,0]=3 180 B9R1.2 c1cc(nc(c1)Cl)C=O LS20219 [1,1,0,0,0,0|0,0,0]=2 181 B9R1.2 c1cc(nc(c1)Cl)NN LS20226 [1,1,0,0,0,0|2,0,0]=4 182 B9R1.8 CNNc1ccccc1 LS10173 [1,1,0,0,0,0|2,0,0]=4 183 B9R1.8 c1cc(cnc1)CC=O LS21221 [1,1,0,0,0,0|2,0,0]=4 184 B9R1.8 c1ccc(cc1)CCN LS10634 [1,1,0,0,0,0|1,0,1]=4 185 B9R1.8 c1ccc(cc1)CCN LS10635 [1,1,0,0,0,0|1,0,1]=4 186 B9R1.8 c1ccnc(c1)CC#N LS20875 [1,1,0,0,0,0|0,0,2]=4 187 B9R1.15 C=Cc1ccccc1Br LS11653 [1,1,0,0,0,0|1,0,1]=4 188 B9R1.15 C=Cc1ccccc1Cl LS11654 [1,1,0,0,0,0|1,0,1]=4 189 B9R1.15 C=Cc1ccccc1F LS11647 [1,1,0,0,0,0|1,0,1]=4 190 B9R1.15 CCc1c(cncn1)F LS20618 [1,1,0,0,0,0|1,0,1]=4 191 B9R1.15 CNc1ccccc1Br LS11478 [1,1,0,0,0,0|2,0,0]=4 192 B9R1.15 CNc1ccccc1F LS10646 [1,1,0,0,0,0|2,0,0]=4 193 B9R1.15 COc1c(cccn1)I LS20331 [1,1,0,0,0,0|1,0,0]=3 194 B9R1.15 CSc1ccccc1Br LS11369 [1,1,0,0,0,0|2,0,0]=4 195 B9R1.15 Cc1ccccc1C=O LS11852 [1,1,0,0,0,0|1,0,0]=3 196 B9R1.15 c1cc(c(nc1)C#N)Br LS20446 [1,1,0,0,0,0|1,0,1]=4 197 B9R1.15 c1cc(c(nc1)C#N)I LS20062 [1,1,0,0,0,0|1,0,1]=4 198 B9R1.15 c1cc(c(nc1)C=O)O LS20166 [1,1,0,0,0,0|0,0,0]=2 199 B9R1.15 c1cc(c(nc1)CO)O LS20165 [1,1,0,0,0,0|0,0,2]=4 200 B9R1.15 c1cc(c(nc1)Cl)C=O LS20395 [1,1,0,0,0,0|2,0,0]=4 201 B9R1.15 c1cc(c(nc1)N)C=O LS41434 [1,1,0,0,0,0|2,0,0]=4 202 B9R1.15 c1cc(c(nc1)O)C=O LS21175 [1,1,0,0,0,0|2,0,0]=4 203 B9R1.15 c1ccc(c(c1)C=O)N LS10114 [1,1,0,0,0,0|1,0,0]=3 204 B9R1.15 c1cncc(c1C=O)Br LS20109 [1,1,0,0,0,0|2,0,0]=4 205 B9R1.11 COC(=O)c1c[nH]cn1 LS20049 [0,1,0,0,1,0|1,0,0]=3 206 B9R1.11 COC(=O)c1ccc[nH]1 LS20248 [0,1,0,0,1,0|0,0,1]=3 207 B9R1.35 Cc1cc(n[nH]1)C(=O)O LS20295 [0,1,0,0,1,0|2,0,0]=4 208 B9R1.35 Cc1ccc(s1)C(=O)O LS20662 [0,1,0,0,1,0|2,0,0]=4 209 B9R1.35 c1c(csc1C(=O)O)Br LS20661 [0,1,0,0,1,0|2,0,0]=4 210 B9R1.35 c1c(nc(s1)Br)C(=O)N LS21070 [0,1,0,0,1,0|2,0,0]=4 211 B9R1.35 c1cc(sc1C(=O)O)Br LS20297 [0,1,0,0,1,0|2,0,0]=4 212 B9R1.35 c1cc(sc1C(=O)O)Cl LS20472 [0,1,0,0,1,0|2,0,0]=4 213 B9R1.41 Cc1ccsc1C(=O)O LS20659 [0,1,0,0,1,0|2,0,0]=4 214 B9R1.41 c1[nH]c(c(n1)C(=O)N)N LS20847 [0,1,0,0,1,0|2,0,0]=4 215 B9R1.41 c1csc(c1Br)C(=O)O LS20750 [0,1,0,0,1,0|2,0,0]=4 216 B9R1.41 c1csc(c1C(=O)O)Br LS20833 [0,1,0,0,1,0|2,0,0]=4 217 B9R1.41 c1csc(c1Cl)C(=O)O LS20749 [0,1,0,0,1,0|2,0,0]=4 218 B9R1.41 c1nc(c(s1)Br)C(=O)O LS21078 [0,1,0,0,1,0|2,0,0]=4 219 B9R1.41 c1nc(c(s1)N)C(=O)N LS21194 [0,1,0,0,1,0|2,0,0]=4 220 B11R1.20 CC(=O)Cc1ccc(cc1)Br LS11255 [0,1,0,0,0,1|1,0,0]=3 221 B11R1.20 CC(=O)Cc1ccc(cc1)Cl LS11258 [0,1,0,0,0,1|1,0,0]=3 222 B11R1.20 CC(=O)Cc1ccc(cc1)F LS11260 [0,1,0,0,0,1|1,0,0]=3 223 B11R1.20 CC(=O)Oc1ccc(cc1)F LS10377 [0,1,0,0,0,1|1,0,0]=3 224 B11R1.20 Cc1ccc(cc1)CC(=O)C LS11261 [0,1,0,0,0,1|1,0,0]=3 225 B11R1.20 Cc1ccc(cc1)NC(=O)C LS11875 [0,1,0,0,0,1|1,0,0]=3 226 B11R1.20 c1cc(ccc1CC(=O)N)O LS11370 [0,1,0,0,0,1|2,0,0]=4 227 B11R1.20 c1cc(ccc1CC(=O)O)Br LS10304 [0,1,0,0,0,1|2,0,0]=4 228 B11R1.20 c1cc(ccc1CC(=O)O)O LS10592 [0,1,0,0,0,1|2,0,0]=4 229 B11R1.36 CC(c1ccccc1)C(=O)O LS10633 [0,1,0,0,0,1|2,0,0]=4 230 B11R1.36 C[C@H](c1ccccc1)C(=O)O LS30098 [0,1,0,0,0,1|2,0,0]=4 231 B11R1.36 c1ccc(cc1)C(C(=O)O)O LS00073 [0,1,0,0,0,1|2,0,0]=4 232 B11R1.86 CC(=O)Cc1ccccc1Br LS11253 [0,1,0,0,0,1|1,0,0]=3 233 B11R1.86 CC(=O)Cc1ccccc1Cl LS11256 [0,1,0,0,0,1|1,0,0]=3 234 B11R1.86 CC(=O)Cc1ccccc1F LS11259 [0,1,0,0,0,1|1,0,0]=3 235 B11R1.86 c1ccc(c(c1)CC(=O)O)O LS10642 [0,1,0,0,0,1|2,0,0]=4 236 B11R1.157 CC(=O)Cc1cccc(c1)Br LS11254 [0,1,0,0,0,1|1,0,0]=3 237 B11R1.157 CC(=O)Cc1cccc(c1)Cl LS11257 [0,1,0,0,0,1|1,0,0]=3 238 B11R1.157 CC(=O)Nc1cccc(n1)N LS20129 [0,1,0,0,0,1|0,0,0]=2 239 B11R1.157 CC(=O)Nc1ccnc(=O)[nH]1 LS40107 [0,1,0,0,0,1|1,0,1]=4 240 B11R1.509 CS(=O)(=O)Nc1ccccc1 LS40014 [0,1,0,0,0,1|2,0,0]=4 241 B11R1.3 CC(=C)c1ccc(cc1)OC LS10061 [0,2,0,0,0,0|2,0,0]=4 242 B11R1.3 CC(=O)c1ccc(nc1)OC LS20033 [0,2,0,0,0,0|2,0,0]=4 243 B11R1.3 COc1ccc(cc1)C(=O)O LS11457 [0,2,0,0,0,0|2,0,0]=4 244 B11R1.3 c1cc(ccc1C=O)C(=O)O LS10649 [0,2,0,0,0,0|2,0,0]=4 245 B11R1.3 c1cc(ccc1CCl)C(=O)O LS11536 [0,2,0,0,0,0|2,0,0]=4 246 B11R1.21 Cc1ccc(cc1Br)C(=O)O LS10330 [0,2,0,0,0,0|2,0,0]=4 247 B11R1.21 Cc1ccc(cc1Cl)C(=O)O LS10663 [0,2,0,0,0,0|2,0,0]=4 248 B11R1.21 Cc1ccc(cc1F)C(=O)O LS10532 [0,2,0,0,0,0|2,0,0]=4 249 B11R1.21 c1cc(c(cc1C(=O)O)F)F LS11167 [0,2,0,0,0,0|2,0,0]=4 250 B11R1.21 c1cc(c(cc1C(=O)[O-])F)F LS11168 [0,2,0,0,0,0|2,0,0]=4 251 B11R1.22 COC(=O)c1ccc(nc1)Cl LS20217 [0,2,0,0,0,0|2,0,0]=4 252 B11R1.22 COC(=O)c1ccc(nc1)N LS20441 [0,2,0,0,0,0|2,0,0]=4 253 B11R1.22 Cc1ccc(cn1)C(=O)OC LS20731 [0,2,0,0,0,0|2,0,0]=4 254 B11R1.22 c1cc(ccc1C(=O)CN)Br LS11597 [0,2,0,0,0,0|1,0,0]=3 255 B11R1.22 c1cc(ccc1C(=O)NN)Cl LS11767 [0,2,0,0,0,0|2,0,0]=4 256 B11R1.166 CC(=O)c1ccc(cc1Cl)Br LS10361 [0,2,0,0,0,0|1,0,0]=3 257 B11R1.166 CC(=O)c1ccc(cc1F)Cl LS10306 [0,2,0,0,0,0|1,0,0]=3 258 B11R1.166 CC(=O)c1ccc(cc1O)F LS10126 [0,2,0,0,0,0|1,0,0]=3 259 B11R1.166 Cc1cc(ccc1C(=O)O)F LS10581 [0,2,0,0,0,0|2,0,0]=4 260 B11R1.166 Cc1ccc(c(c1)F)C(=O)O LS10521 [0,2,0,0,0,0|2,0,0]=4 261 B11R1.166 c1c(cnc(c1Br)C(=O)O)Br LS20021 [0,2,0,0,0,0|1,0,0]=3 262 B11R1.166 c1cc(c(cc1Br)Br)C(=O)O LS10326 [0,2,0,0,0,0|2,0,0]=4 263 B11R1.166 c1cc(c(cc1Br)Cl)C(=O)O LS10346 [0,2,0,0,0,0|2,0,0]=4 264 B11R1.166 c1cc(c(cc1Br)F)C(=O)O LS10691 [0,2,0,0,0,0|2,0,0]=4 265 B11R1.166 c1cc(c(cc1Br)N)C(=O)O LS11470 [0,2,0,0,0,0|2,0,0]=4 266 B11R1.166 c1cc(c(cc1Cl)Cl)C(=O)O LS10673 [0,2,0,0,0,0|2,0,0]=4 267 B11R1.166 c1cc(c(cc1Cl)N)C(=O)N LS10587 [0,2,0,0,0,0|2,0,0]=4 268 B11R1.166 c1cc(c(cc1Cl)N)C(=O)O LS11433 [0,2,0,0,0,0|2,0,0]=4 269 B11R1.166 c1cc(c(cc1Cl)O)C(=O)O LS10716 [0,2,0,0,0,0|2,0,0]=4 270 B11R1.166 c1cc(c(cc1F)F)C(=O)[O-] LS11163 [0,2,0,0,0,0|2,0,0]=4 271 B11R1.166 c1cc(c(cc1F)N)C(=O)O LS10234 [0,2,0,0,0,0|2,0,0]=4 272 B11R1.166 c1cc(c(cc1F)O)C(=O)O LS11396 [0,2,0,0,0,0|2,0,0]=4 273 B11R1.166 c1cc(c(cc1N)Cl)C(=O)O LS10725 [0,2,0,0,0,0|2,0,0]=4 274 B11R1.166 c1cc(c(cc1O)Cl)C(=O)O LS11739 [0,2,0,0,0,0|2,0,0]=4 275 B11R1.166 c1cc(c(cc1O)O)C(=O)N LS10714 [0,2,0,0,0,0|2,0,0]=4 276 B11R1.16 CCOC(=O)c1cccnc1 LS00014 [0,2,0,0,0,0|2,0,0]=4 277 B11R1.16 C[C@@H](c1ccccc1)N=C=O LS30276 [0,2,0,0,0,0|1,0,1]=4 278 B11R1.23 CCC(=O)c1cccc(c1)Cl LS41311 [0,2,0,0,0,0|1,0,0]=3 279 B11R1.23 CNC(=O)c1cc(ccn1)Cl LS21026 [0,2,0,0,0,0|0,0,0]=2 280 B11R1.23 COC(=O)c1cc(ccn1)Cl LS20268 [0,2,0,0,0,0|0,0,0]=2 281 B11R1.23 COC(=O)c1cc(cnc1)Br LS20201 [0,2,0,0,0,0|2,0,0]=4 282 B11R1.23 COC(=O)c1ccnc(c1)Br LS20070 [0,2,0,0,0,0|2,0,0]=4 283 B11R1.23 c1cc(cc(c1)Cl)C(=O)CCl LS10356 [0,2,0,0,0,0|1,0,0]=3 284 B11R1.222 CCC(=O)c1ccccc1Cl LS11338 [0,2,0,0,0,0|1,0,0]=3 285 B11R1.222 CNC(=O)c1ccccc1N LS11490 [0,2,0,0,0,0|1,0,0]=3 286 B11R1.222 COC(=O)c1ccccc1Cl LS10628 [0,2,0,0,0,0|1,0,0]=3 287 B11R1.222 COC(=O)c1cccnc1N LS20032 [0,2,0,0,0,0|2,0,0]=4 288 B11R1.222 Cc1ccccc1C(=O)CBr LS11319 [0,2,0,0,0,0|1,0,0]=3 289 B11R1.53 COc1ccccc1C(=O)Cl LS11458 [0,2,0,0,0,0|2,0,0]=4 290 B11R1.53 COc1ccccc1C(=O)O LS11456 [0,2,0,0,0,0|2,0,0]=4 291 B11R1.156 CC(=O)c1c(cccc1Br)F LS11304 [0,2,0,0,0,0|1,0,0]=3 292 B11R1.156 CC(=O)c1c(cccc1F)F LS11166 [0,2,0,0,0,0|1,0,0]=3 293 B11R1.156 Cc1cccc(c1C(=O)O)O LS10070 [0,2,0,0,0,0|2,0,0]=4 294 B11R1.156 c1cc(c(c(c1)Br)C(=O)O)Cl LS10321 [0,2,0,0,0,0|2,0,0]=4 295 B11R1.156 c1cc(c(c(c1)Br)C(=O)O)F LS11335 [0,2,0,0,0,0|2,0,0]=4 296 B11R1.156 c1cc(c(c(c1)Br)C(=O)O)N LS10138 [0,2,0,0,0,0|2,0,0]=4 297 B11R1.156 c1cc(c(c(c1)Cl)C(=O)Cl)Cl LS11443 [0,2,0,0,0,0|2,0,0]=4 298 B11R1.156 c1cc(c(c(c1)Cl)C(=O)O)Cl LS11437 [0,2,0,0,0,0|2,0,0]=4 299 B11R1.156 c1cc(c(c(c1)Cl)C(=O)O)N LS11434 [0,2,0,0,0,0|2,0,0]=4 300 B11R1.156 c1cc(c(c(c1)F)C(=O)O)N LS10583 [0,2,0,0,0,0|2,0,0]=4 301 B11R1.156 c1cc(c(c(c1)F)C(=O)O)O LS10249 [0,2,0,0,0,0|2,0,0]=4 302 B11R1.159 CC(=O)c1cccc(c1F)Br LS10318 [0,2,0,0,0,0|1,0,0]=3 303 B11R1.159 Cc1c(cccc1F)C(=O)O LS10580 [0,2,0,0,0,0|2,0,0]=4 304 B11R1.159 Cc1c(cccc1I)C(=O)O LS10045 [0,2,0,0,0,0|2,0,0]=4 305 B11R1.159 Cc1cccc(c1C)C(=O)O LS11825 [0,2,0,0,0,0|2,0,0]=4 306 B11R1.159 Cc1cccc(c1I)C(=O)O LS10145 [0,2,0,0,0,0|2,0,0]=4 307 B11R1.159 Cc1cccc(c1N)C(=O)O LS11462 [0,2,0,0,0,0|2,0,0]=4 308 B11R1.159 c1cc(c(c(c1)Br)F)C(=O)O LS10579 [0,2,0,0,0,0|2,0,0]=4 309 B11R1.159 c1cc(c(c(c1)Br)N)C(=O)N LS11488 [0,2,0,0,0,0|2,0,0]=4 310 B11R1.159 c1cc(c(c(c1)Br)N)C(=O)O LS11484 [0,2,0,0,0,0|2,0,0]=4 311 B11R1.159 c1cc(c(c(c1)Cl)Cl)C(=O)O LS11460 [0,2,0,0,0,0|2,0,0]=4 312 B11R1.159 c1cc(c(c(c1)Cl)F)C(=O)O LS11404 [0,2,0,0,0,0|2,0,0]=4 313 B11R1.159 c1cc(c(c(c1)Cl)N)C(=O)O LS11486 [0,2,0,0,0,0|2,0,0]=4 314 B11R1.159 c1cc(c(c(c1)F)Br)C(=O)O LS10584 [0,2,0,0,0,0|2,0,0]=4 315 B11R1.159 c1cc(c(c(c1)F)F)C(=O)O LS11162 [0,2,0,0,0,0|2,0,0]=4 316 B11R1.159 c1cc(c(c(c1)F)N)C(=O)O LS11485 [0,2,0,0,0,0|2,0,0]=4 317 B11R1.159 c1cc(c(c(c1)I)F)C(=O)O LS10522 [0,2,0,0,0,0|2,0,0]=4 318 B11R1.159 c1cc(c(c(c1)N)F)C(=O)O LS10012 [0,2,0,0,0,0|2,0,0]=4 319 B11R1.159 c1cc(c(c(c1)N)N)C(=O)N LS11444 [0,2,0,0,0,0|2,0,0]=4 320 B11R1.159 c1cc(c(c(c1)N)N)C(=O)O LS11459 [0,2,0,0,0,0|2,0,0]=4 321 B11R1.159 c1cc(c(c(c1)O)O)C(=O)O LS10681 [0,2,0,0,0,0|2,0,0]=4 322 B11R1.167 CC(=O)c1cc(ccc1Br)Cl LS11579 [0,2,0,0,0,0|1,0,0]=3 323 B11R1.167 CC(=O)c1cc(ccc1Br)F LS10365 [0,2,0,0,0,0|1,0,0]=3 324 B11R1.167 CC(=O)c1cc(ccc1F)Br LS10106 [0,2,0,0,0,0|1,0,0]=3 325 B11R1.167 CC(=O)c1cc(ccc1I)F LS10113 [0,2,0,0,0,0|1,0,0]=3 326 B11R1.167 CC(=O)c1cc(ccc1O)O LS11715 [0,2,0,0,0,0|1,0,0]=3 327 B11R1.167 Cc1ccc(c(c1)C(=O)O)I LS10696 [0,2,0,0,0,0|2,0,0]=4 328 B11R1.167 Cc1ccc(cc1C(=O)O)Br LS10562 [0,2,0,0,0,0|2,0,0]=4 329 B11R1.167 Cc1ccc(cc1C(=O)O)F LS10582 [0,2,0,0,0,0|2,0,0]=4 330 B11R1.167 Cc1ccc(cc1C(=O)O)I LS11399 [0,2,0,0,0,0|2,0,0]=4 331 B11R1.167 c1cc(c(cc1Br)C(=O)N)N LS11489 [0,2,0,0,0,0|2,0,0]=4 332 B11R1.167 c1cc(c(cc1Br)C(=O)O)Cl LS11201 [0,2,0,0,0,0|2,0,0]=4 333 B11R1.167 c1cc(c(cc1Br)C(=O)O)F LS10585 [0,2,0,0,0,0|2,0,0]=4 334 B11R1.167 c1cc(c(cc1Br)C(=O)O)N LS10708 [0,2,0,0,0,0|2,0,0]=4 335 B11R1.167 c1cc(c(cc1Cl)C(=O)N)N LS10559 [0,2,0,0,0,0|2,0,0]=4 336 B11R1.167 c1cc(c(cc1Cl)C(=O)N)O LS10567 [0,2,0,0,0,0|2,0,0]=4 337 B11R1.167 c1cc(c(cc1Cl)C(=O)O)Cl LS11832 [0,2,0,0,0,0|2,0,0]=4 338 B11R1.167 c1cc(c(cc1Cl)C(=O)O)N LS10348 [0,2,0,0,0,0|2,0,0]=4 339 B11R1.167 c1cc(c(cc1Cl)C(=O)O)O LS11420 [0,2,0,0,0,0|2,0,0]=4 340 B11R1.167 c1cc(c(cc1F)C(=O)N)N LS11474 [0,2,0,0,0,0|2,0,0]=4 341 B11R1.167 c1cc(c(cc1F)C(=O)O)F LS11164 [0,2,0,0,0,0|2,0,0]=4 342 B11R1.167 c1cc(c(cc1F)C(=O)O)N LS11464 [0,2,0,0,0,0|2,0,0]=4 343 B11R1.167 c1cc(c(cc1F)C(=O)O)O LS10523 [0,2,0,0,0,0|2,0,0]=4 344 B11R1.167 c1cc(c(cc1F)C(=O)[O-])F LS11165 [0,2,0,0,0,0|2,0,0]=4 345 B11R1.167 c1cc(c(cc1N)C(=O)O)O LS11426 [0,2,0,0,0,0|2,0,0]=4 346 B11R1.167 c1cc(c(cc1O)C(=O)O)F LS10475 [0,2,0,0,0,0|2,0,0]=4 347 B11R1.167 c1cc(nc(c1F)C(=O)O)Cl LS20461 [0,2,0,0,0,0|1,0,0]=3 348 B11R1.167 c1cc(nc(c1O)[N+](=O)[O-])Br LS20714 [0,2,0,0,0,0|2,0,0]=4 349 B11R1.74 CC(=O)c1cc(cc(c1)F)F LS11171 [0,2,0,0,0,0|1,0,0]=3 350 B11R1.74 Cc1cc(cc(c1)N)C(=O)O LS10247 [0,2,0,0,0,0|2,0,0]=4 351 B11R1.74 c1c(cc(cc1Br)I)C(=O)O LS10332 [0,2,0,0,0,0|2,0,0]=4 352 B11R1.74 c1c(cc(cc1F)F)C(=O)O LS11169 [0,2,0,0,0,0|2,0,0]=4 353 B11R1.74 c1c(cc(cc1F)F)C(=O)[O-] LS11170 [0,2,0,0,0,0|2,0,0]=4 354 B11R1.266 COc1cccc(c1)C(=O)O LS11528 [0,2,0,0,0,0|2,0,0]=4 355 B11R1.266 c1cc(cc(c1)C(=O)Cl)C#N LS10682 [0,2,0,0,0,0|2,0,0]=4 356 B11R1.266 c1cc(cc(c1)C(=O)Cl)CCl LS10105 [0,2,0,0,0,0|2,0,0]=4 357 B11R2.10 CC1=Cc2ccccc2C1 LS00050 [0,0,0,1,0,1|2,0,0]=4 358 B11R2.10 c1ccc2c(c1)CC(=O)O2 LS40288 [0,0,0,1,0,1|1,0,0]=3 359 B11R2.1 c1cc2c(nc1)COC2=O LS41441 [0,1,0,1,0,0|2,0,0]=4 360 B7R1.1 CCc1[nH]ccn1 LS20052 [1,0,0,0,1,0|1,0,1]=4 361 B7R1.1 c1c(nc[nH]1)C=O LS20992 [1,0,0,0,1,0|1,0,0]=3 362 B7R1.1 c1c(ncs1)C=O LS21128 [1,0,0,0,1,0|1,0,0]=3 363 B7R1.1 c1cc([nH]c1)C=O LS00119 [1,0,0,0,1,0|0,0,1]=3 364 B7R1.1 c1cc(sc1)C=O LS40350 [1,0,0,0,1,0|1,0,0]=3 365 B7R1.1 c1cnc([nH]1)C=O LS20564 [1,0,0,0,1,0|1,0,0]=3 366 B7R1.1 c1csc(n1)C=O LS20580 [1,0,0,0,1,0|1,0,0]=3 367 B7R1.1 c1cscc1C=O LS20646 [1,0,0,0,1,0|1,0,0]=3 368 B11R1.91 CC(=O)CCc1ccccc1 LS10597 [0,0,0,0,0,2|1,0,0]=3 369 B11R1.91 c1ccc(cc1)COC(=O)N LS40379 [0,0,0,0,0,2|2,0,0]=4 370 B11R1.91 c1ccc(cc1)\C=C\C(=O)O LS00072 [0,0,0,0,0,2|2,0,0]=4