0 B9R1.6 B(c1ccccc1)(O)O LS00011 [0,0,0,0,0,0|1,0,1]=2 1 B9R1.6 B(c1cccnc1)(O)O LS20190 [0,0,0,0,0,0|2,0,1]=3 2 B9R1.6 B(c1ccncc1)(O)O LS20393 [0,0,0,0,0,0|2,0,1]=3 3 B9R1.6 B(c1ccncn1)(O)O LS11623 [0,0,0,0,0,0|3,0,1]=4 4 B9R1.6 B(c1cncnc1)(O)O LS11123 [0,0,0,0,0,0|3,0,1]=4 5 B9R1.6 C1C[C@@H](CC=C1)C(=O)O LS00083 [0,0,0,0,0,0|0,0,4]=4 6 B9R1.6 CC(=O)c1cccnc1 LS20960 [0,0,0,0,0,0|2,0,0]=2 7 B9R1.6 C[C@@H](c1ccccc1)N LS30171 [0,0,0,0,0,0|2,0,1]=3 8 B9R1.6 C[C@H](c1ccccc1)N LS30099 [0,0,0,0,0,0|2,0,1]=3 9 B9R1.6 c1cc(cnc1)C(=S)N LS40686 [0,0,0,0,0,0|2,1,0]=3 10 B9R1.6 c1ccc(cc1)C(=N)N LS10719 [0,0,0,0,0,0|2,0,0]=2 11 B9R1.6 c1ccc(cc1)C(=O)O LS41489 [0,0,0,0,0,0|0,0,0]=0 12 B9R1.6 c1ccc(cc1)C(=S)N LS10766 [0,0,0,0,0,0|1,1,0]=2 13 B9R1.6 c1ccnc(c1)C(=N)N LS21180 [0,0,0,0,0,0|3,0,0]=3 14 B9R1.6 c1cnc(cn1)C(=O)O LS20078 [0,0,0,0,0,0|2,0,0]=2 15 B9R1.6 c1cnc(nc1)C(=O)O LS20267 [0,0,0,0,0,0|2,0,0]=2 16 B9R1.6 c1cncnc1C(=O)O LS20389 [0,0,0,0,0,0|2,0,0]=2 17 B8R1.2 C#Cc1ccccc1 LS10701 [1,0,0,0,0,0|1,0,1]=3 18 B8R1.2 CNc1cccnc1 LS20470 [1,0,0,0,0,0|3,0,0]=4 19 B8R1.2 c1cc(cnc1)C=O LS20485 [1,0,0,0,0,0|1,0,0]=2 20 B8R1.2 c1ccc(cc1)C=O LS41490 [1,0,0,0,0,0|0,0,0]=1 21 B8R1.2 c1ccc(cc1)CO LS41488 [1,0,0,0,0,0|0,0,1]=2 22 B8R1.2 c1cnccc1C=O LS20943 [1,0,0,0,0,0|1,0,0]=2 23 B8R1.2 c1cnccc1CN LS20857 [1,0,0,0,0,0|2,0,1]=4 24 B8R1.2 c1cnccc1NN LS20045 [1,0,0,0,0,0|3,0,0]=4 25 B10R1.13 B(c1ccc(cc1)Br)(O)O LS10182 [0,1,0,0,0,0|1,0,1]=3 26 B10R1.13 B(c1ccc(cc1)C)(O)O LS00088 [0,1,0,0,0,0|1,0,1]=3 27 B10R1.13 B(c1ccc(cc1)Cl)(O)O LS00091 [0,1,0,0,0,0|1,0,1]=3 28 B10R1.13 B(c1ccc(cc1)F)(O)O LS00090 [0,1,0,0,0,0|1,0,1]=3 29 B10R1.13 B(c1ccc(cc1)I)(O)O LS10893 [0,1,0,0,0,0|1,0,1]=3 30 B10R1.13 B(c1ccc(cc1)N)(O)O LS10039 [0,1,0,0,0,0|1,0,1]=3 31 B10R1.13 B(c1ccc(cc1)O)(O)O LS10892 [0,1,0,0,0,0|1,0,1]=3 32 B10R1.13 B(c1ccc(cc1)S)(O)O LS00089 [0,1,0,0,0,0|1,0,1]=3 33 B10R1.13 B(c1ccc(nc1)Br)(O)O LS11091 [0,1,0,0,0,0|2,0,1]=4 34 B10R1.13 B(c1ccc(nc1)C)(O)O LS11103 [0,1,0,0,0,0|2,0,1]=4 35 B10R1.13 B(c1ccc(nc1)Cl)(O)O LS11095 [0,1,0,0,0,0|2,0,1]=4 36 B10R1.13 B(c1ccc(nc1)F)(O)O LS20294 [0,1,0,0,0,0|2,0,1]=4 37 B10R1.13 B(c1ccc(nc1)N)(O)O LS21229 [0,1,0,0,0,0|2,0,1]=4 38 B10R1.13 CC(=O)c1ccc(cc1)Br LS11874 [0,1,0,0,0,0|1,0,0]=2 39 B10R1.13 CC(=O)c1ccc(cc1)F LS11575 [0,1,0,0,0,0|1,0,0]=2 40 B10R1.13 CC(=O)c1ccc(cc1)N LS10360 [0,1,0,0,0,0|1,0,0]=2 41 B10R1.13 CC(=O)c1ccc(cc1)O LS10359 [0,1,0,0,0,0|1,0,0]=2 42 B10R1.13 CC(=O)c1ccc(cn1)Br LS20859 [0,1,0,0,0,0|2,0,0]=3 43 B10R1.13 CC(=O)c1ccc(nc1)Br LS21178 [0,1,0,0,0,0|2,0,0]=3 44 B10R1.13 CN(C)c1ccc(cc1)Br LS10693 [0,1,0,0,0,0|3,0,0]=4 45 B10R1.13 CN(C)c1ccc(cc1)Cl LS10239 [0,1,0,0,0,0|3,0,0]=4 46 B10R1.13 Cc1ccc(cn1)C(=O)O LS20541 [0,1,0,0,0,0|1,0,0]=2 47 B10R1.13 Cc1ncc(cn1)C(=O)C LS20101 [0,1,0,0,0,0|3,0,0]=4 48 B10R1.13 Cc1ncc(cn1)C(=O)O LS20220 [0,1,0,0,0,0|2,0,0]=3 49 B10R1.13 c1c(cnc(n1)Cl)C(=O)O LS21033 [0,1,0,0,0,0|2,0,0]=3 50 B10R1.13 c1c(cnc(n1)N)C(=O)O LS20168 [0,1,0,0,0,0|2,0,0]=3 51 B10R1.13 c1c(ncc(n1)Cl)C(=O)O LS20205 [0,1,0,0,0,0|2,0,0]=3 52 B10R1.13 c1c(ncc(n1)O)C(=O)O LS20206 [0,1,0,0,0,0|2,0,0]=3 53 B10R1.13 c1cc(ccc1C(=N)N)Br LS00131 [0,1,0,0,0,0|2,0,0]=3 54 B10R1.13 c1cc(ccc1C(=O)Cl)N LS11728 [0,1,0,0,0,0|1,0,0]=2 55 B10R1.13 c1cc(ccc1C(=O)O)Cl LS10674 [0,1,0,0,0,0|0,0,0]=1 56 B10R1.13 c1cc(ccc1N)[N+](=O)[O-] LS10622 [0,1,0,0,0,0|1,0,1]=3 57 B10R1.13 c1cc(ccc1[N+](=O)[O-])Cl LS10621 [0,1,0,0,0,0|1,0,1]=3 58 B10R1.13 c1cc(ncc1Br)C(=O)O LS20244 [0,1,0,0,0,0|1,0,0]=2 59 B10R1.13 c1cc(ncc1C(=O)O)Cl LS20664 [0,1,0,0,0,0|1,0,0]=2 60 B10R1.13 c1cc(ncc1C(=O)O)N LS20730 [0,1,0,0,0,0|1,0,0]=2 61 B10R1.13 c1cc(ncc1F)C(=O)O LS20092 [0,1,0,0,0,0|1,0,0]=2 62 B10R1.13 c1cc(ncc1[N+](=O)[O-])Br LS20528 [0,1,0,0,0,0|2,0,1]=4 63 B10R1.13 c1cc(ncc1[N+](=O)[O-])Cl LS20540 [0,1,0,0,0,0|2,0,1]=4 64 B10R1.13 c1cc(ncc1[N+](=O)[O-])F LS20769 [0,1,0,0,0,0|2,0,1]=4 65 B10R1.13 c1cc(ncc1[N+](=O)[O-])N LS20477 [0,1,0,0,0,0|2,0,1]=4 66 B10R1.13 c1cc(ncc1[N+](=O)[O-])O LS20531 [0,1,0,0,0,0|2,0,1]=4 67 B10R1.15 CC(CN)c1ccccc1 LS10637 [0,1,0,0,0,0|2,0,1]=4 68 B10R1.15 CC(CN)c1ccccc1 LS10638 [0,1,0,0,0,0|2,0,1]=4 69 B10R1.15 CC[C@@H](c1ccccc1)N LS30125 [0,1,0,0,0,0|2,0,1]=4 70 B10R1.15 CC[C@H](c1ccccc1)N LS30175 [0,1,0,0,0,0|2,0,1]=4 71 B10R1.15 COC(=O)c1cccnc1 LS20584 [0,1,0,0,0,0|1,0,0]=2 72 B10R1.15 C[C@@H](CN)c1ccccc1 LS30174 [0,1,0,0,0,0|2,0,1]=4 73 B10R1.15 C[C@H](CN)c1ccccc1 LS30173 [0,1,0,0,0,0|2,0,1]=4 74 B10R1.15 c1ccc(cc1)C(=O)CBr LS11352 [0,1,0,0,0,0|1,0,0]=2 75 B10R1.15 c1ccc(cc1)C(=O)CCl LS11677 [0,1,0,0,0,0|1,0,0]=2 76 B10R1.15 c1ccc(cc1)C(=O)CO LS10613 [0,1,0,0,0,0|0,0,0]=1 77 B10R1.15 c1ccc(cc1)[C@@H](CO)N LS30212 [0,1,0,0,0,0|1,0,1]=3 78 B10R1.15 c1ccc(cc1)[C@@H](CO)O LS30263 [0,1,0,0,0,0|0,0,2]=3 79 B10R1.15 c1ccc(cc1)[C@H](CO)N LS30213 [0,1,0,0,0,0|1,0,1]=3 80 B10R1.15 c1ccc(cc1)[C@H](CO)O LS30264 [0,1,0,0,0,0|0,0,2]=3 81 B10R1.28 CC(C)(c1ccccc1)O LS11531 [0,1,0,0,0,0|1,0,1]=3 82 B10R1.28 c1ccc(cc1)P(=O)(Cl)Cl LS40262 [0,1,0,0,0,0|2,0,0]=3 83 B10R1.28 c1ccc(cc1)S(=O)(=O)O LS10672 [0,1,0,0,0,0|1,0,0]=2 84 B10R1.28 c1ccc(cc1)S(=O)(=O)[O-] LS40553 [0,1,0,0,0,0|1,0,1]=3 85 B10R1.61 B(c1ccccc1Br)(O)O LS10792 [0,1,0,0,0,0|1,0,1]=3 86 B10R1.61 B(c1ccccc1C)(O)O LS10802 [0,1,0,0,0,0|1,0,1]=3 87 B10R1.61 B(c1ccccc1Cl)(O)O LS00151 [0,1,0,0,0,0|1,0,1]=3 88 B10R1.61 B(c1ccccc1F)(O)O LS10797 [0,1,0,0,0,0|1,0,1]=3 89 B10R1.61 B(c1ccccc1N)(O)O LS10787 [0,1,0,0,0,0|1,0,1]=3 90 B10R1.61 B(c1ccccc1O)(O)O LS10799 [0,1,0,0,0,0|1,0,1]=3 91 B10R1.61 B(c1cccnc1Br)(O)O LS20193 [0,1,0,0,0,0|2,0,1]=4 92 B10R1.61 B(c1cccnc1Cl)(O)O LS11093 [0,1,0,0,0,0|2,0,1]=4 93 B10R1.61 B(c1cccnc1F)(O)O LS11099 [0,1,0,0,0,0|2,0,1]=4 94 B10R1.61 B(c1cnccc1C)(O)O LS11105 [0,1,0,0,0,0|2,0,1]=4 95 B10R1.61 CC(=O)c1ccccc1N LS10731 [0,1,0,0,0,0|1,0,0]=2 96 B10R1.61 CC(=O)c1ccccc1O LS10607 [0,1,0,0,0,0|1,0,0]=2 97 B10R1.61 CC(=O)c1cccnc1Cl LS20570 [0,1,0,0,0,0|2,0,0]=3 98 B10R1.61 CN(C)c1ccccc1Br LS10558 [0,1,0,0,0,0|3,0,0]=4 99 B10R1.61 CN(C)c1ccccc1Cl LS10168 [0,1,0,0,0,0|3,0,0]=4 100 B10R1.61 CN(C)c1ccccc1F LS10242 [0,1,0,0,0,0|3,0,0]=4 101 B10R1.61 C[C@H](c1ccccc1Cl)O LS30121 [0,1,0,0,0,0|1,0,1]=3 102 B10R1.61 Cc1c(cccn1)C(=O)N LS20770 [0,1,0,0,0,0|2,0,0]=3 103 B10R1.61 Cc1c(cccn1)C(=O)O LS20435 [0,1,0,0,0,0|1,0,0]=2 104 B10R1.61 Cc1c(cncn1)C(=O)O LS20826 [0,1,0,0,0,0|2,0,0]=3 105 B10R1.61 Cc1ccccc1C(=O)O LS10119 [0,1,0,0,0,0|0,0,0]=1 106 B10R1.61 Cc1cccnc1C(=O)O LS20983 [0,1,0,0,0,0|1,0,0]=2 107 B10R1.61 c1c[nH]cc(c1=O)[N+](=O)[O-] LS21019 [0,1,0,0,0,0|2,0,1]=4 108 B10R1.61 c1cc(c(nc1)Br)C(=O)O LS20396 [0,1,0,0,0,0|1,0,0]=2 109 B10R1.61 c1cc(c(nc1)Br)[N+](=O)[O-] LS20185 [0,1,0,0,0,0|2,0,1]=4 110 B10R1.61 c1cc(c(nc1)C(=O)O)F LS20394 [0,1,0,0,0,0|1,0,0]=2 111 B10R1.61 c1cc(c(nc1)C(=O)O)N LS00020 [0,1,0,0,0,0|1,0,0]=2 112 B10R1.61 c1cc(c(nc1)Cl)C(=O)O LS20665 [0,1,0,0,0,0|1,0,0]=2 113 B10R1.61 c1cc(c(nc1)N)C(=O)O LS20530 [0,1,0,0,0,0|1,0,0]=2 114 B10R1.61 c1cc(c(nc1)N)[N+](=O)[O-] LS20501 [0,1,0,0,0,0|2,0,1]=4 115 B10R1.61 c1cc(c(nc1)O)C(=O)O LS20423 [0,1,0,0,0,0|1,0,0]=2 116 B10R1.61 c1cc(c(nc1)S)C(=O)O LS20725 [0,1,0,0,0,0|1,0,0]=2 117 B10R1.61 c1cc(c(nc1)[N+](=O)[O-])F LS20935 [0,1,0,0,0,0|2,0,1]=4 118 B10R1.61 c1cc(c(nc1)[N+](=O)[O-])O LS20836 [0,1,0,0,0,0|2,0,1]=4 119 B10R1.61 c1ccc(c(c1)C(=O)N)N LS11473 [0,1,0,0,0,0|1,0,0]=2 120 B10R1.61 c1ccc(c(c1)C(=O)O)Br LS10336 [0,1,0,0,0,0|0,0,0]=1 121 B10R1.61 c1ccc(c(c1)C(=O)O)Cl LS10675 [0,1,0,0,0,0|0,0,0]=1 122 B10R1.61 c1ccc(c(c1)C(=O)O)I LS00003 [0,1,0,0,0,0|0,0,0]=1 123 B10R1.61 c1ccc(c(c1)N)[N+](=O)[O-] LS11572 [0,1,0,0,0,0|1,0,1]=3 124 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])Br LS11477 [0,1,0,0,0,0|1,0,1]=3 125 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])I LS11476 [0,1,0,0,0,0|1,0,1]=3 126 B10R1.61 c1cnc(c(n1)C(=O)O)O LS20287 [0,1,0,0,0,0|2,0,0]=3 127 B10R1.61 c1cncc(c1C(=O)O)Br LS20726 [0,1,0,0,0,0|1,0,0]=2 128 B10R1.61 c1cncc(c1C(=O)O)F LS20409 [0,1,0,0,0,0|1,0,0]=2 129 B10R1.61 c1cncc(c1C(=O)O)N LS20439 [0,1,0,0,0,0|1,0,0]=2 130 B10R1.61 c1cncc(c1C(=O)O)O LS20035 [0,1,0,0,0,0|1,0,0]=2 131 B10R1.61 c1cncc(c1Cl)C(=O)O LS20834 [0,1,0,0,0,0|1,0,0]=2 132 B10R1.113 B(c1cc(cnc1)Br)(O)O LS11106 [0,1,0,0,0,0|2,0,1]=4 133 B10R1.113 B(c1cc(cnc1)Cl)(O)O LS11107 [0,1,0,0,0,0|2,0,1]=4 134 B10R1.113 B(c1cc(cnc1)F)(O)O LS20225 [0,1,0,0,0,0|2,0,1]=4 135 B10R1.113 B(c1cccc(c1)Br)(O)O LS10826 [0,1,0,0,0,0|1,0,1]=3 136 B10R1.113 B(c1cccc(c1)C)(O)O LS10847 [0,1,0,0,0,0|1,0,1]=3 137 B10R1.113 B(c1cccc(c1)Cl)(O)O LS00152 [0,1,0,0,0,0|1,0,1]=3 138 B10R1.113 B(c1cccc(c1)F)(O)O LS10837 [0,1,0,0,0,0|1,0,1]=3 139 B10R1.113 B(c1cccc(c1)N)(O)O LS10820 [0,1,0,0,0,0|1,0,1]=3 140 B10R1.113 B(c1cccc(c1)N)(O)O LS10821 [0,1,0,0,0,0|1,0,1]=3 141 B10R1.113 B(c1cccc(c1)N)(O)O LS11541 [0,1,0,0,0,0|1,0,1]=3 142 B10R1.113 B(c1cccc(c1)O)(O)O LS10839 [0,1,0,0,0,0|1,0,1]=3 143 B10R1.113 B(c1cccc(c1)S)(O)O LS10841 [0,1,0,0,0,0|1,0,1]=3 144 B10R1.113 B(c1ccnc(c1)Cl)(O)O LS20195 [0,1,0,0,0,0|2,0,1]=4 145 B10R1.113 B(c1ccnc(c1)F)(O)O LS20224 [0,1,0,0,0,0|2,0,1]=4 146 B10R1.113 CC(=O)c1cccc(c1)N LS11527 [0,1,0,0,0,0|1,0,0]=2 147 B10R1.113 CC(=O)c1cccc(n1)Br LS20488 [0,1,0,0,0,0|2,0,0]=3 148 B10R1.113 CN(C)c1cccc(c1)O LS11214 [0,1,0,0,0,0|3,0,0]=4 149 B10R1.113 Cc1ccnc(c1)C(=O)C LS21177 [0,1,0,0,0,0|2,0,0]=3 150 B10R1.113 c1c(cncc1Br)C(=O)O LS20729 [0,1,0,0,0,0|1,0,0]=2 151 B10R1.113 c1c(cncc1Cl)C(=O)O LS20728 [0,1,0,0,0,0|1,0,0]=2 152 B10R1.113 c1c(cncc1N)C(=O)O LS20110 [0,1,0,0,0,0|1,0,0]=2 153 B10R1.113 c1c(cncc1O)C(=O)O LS20727 [0,1,0,0,0,0|1,0,0]=2 154 B10R1.113 c1c(nc(cn1)Cl)C(=O)O LS20459 [0,1,0,0,0,0|2,0,0]=3 155 B10R1.113 c1c(ncnc1O)C(=O)O LS20104 [0,1,0,0,0,0|2,0,0]=3 156 B10R1.113 c1cc(cc(c1)Br)C(=N)N LS10543 [0,1,0,0,0,0|2,0,0]=3 157 B10R1.113 c1cc(cc(c1)O)[N+](=O)[O-] LS11800 [0,1,0,0,0,0|1,0,1]=3 158 B10R1.113 c1cc(nc(c1)Br)C(=O)O LS20438 [0,1,0,0,0,0|1,0,0]=2 159 B10R1.113 c1cc(nc(c1)Cl)C(=O)O LS20264 [0,1,0,0,0,0|1,0,0]=2 160 B10R1.113 c1cnc(cc1C(=O)O)Br LS20245 [0,1,0,0,0,0|1,0,0]=2 161 B10R1.113 c1cnc(cc1C(=O)O)Cl LS20583 [0,1,0,0,0,0|1,0,0]=2 162 B10R1.113 c1cnc(cc1C(=O)O)F LS20410 [0,1,0,0,0,0|1,0,0]=2 163 B10R1.113 c1cnc(cc1C(=O)O)N LS20627 [0,1,0,0,0,0|1,0,0]=2 164 B10R1.113 c1cnc(cc1C(=O)O)O LS20483 [0,1,0,0,0,0|1,0,0]=2 165 B10R1.113 c1cnc(cc1Cl)C(=O)N LS20263 [0,1,0,0,0,0|2,0,0]=3 166 B10R1.113 c1cnc(cc1[N+](=O)[O-])Cl LS20004 [0,1,0,0,0,0|2,0,1]=4 167 B10R1.113 c1cnc(nc1C(=O)O)Cl LS20776 [0,1,0,0,0,0|2,0,0]=3 168 B8R1.7 B(c1ccco1)(O)O LS11074 [0,0,0,0,1,0|2,0,1]=4 169 B8R1.7 B(c1cccs1)(O)O LS00104 [0,0,0,0,1,0|2,0,1]=4 170 B8R1.7 B(c1ccoc1)(O)O LS11075 [0,0,0,0,1,0|2,0,1]=4 171 B8R1.7 B(c1ccsc1)(O)O LS11078 [0,0,0,0,1,0|2,0,1]=4 172 B8R1.7 C1C=CCC1C(=O)O LS41644 [0,0,0,0,1,0|0,0,3]=4 173 B8R1.7 CC(=O)c1c[nH]cn1 LS20519 [0,0,0,0,1,0|3,0,0]=4 174 B8R1.7 CC(=O)c1cccs1 LS20643 [0,0,0,0,1,0|2,0,0]=3 175 B8R1.7 CC(=O)c1ccsc1 LS20391 [0,0,0,0,1,0|2,0,0]=3 176 B8R1.7 c1c(cn[nH]1)C(=O)O LS21130 [0,0,0,0,1,0|2,0,0]=3 177 B8R1.7 c1c(con1)C(=O)O LS20144 [0,0,0,0,1,0|2,0,0]=3 178 B8R1.7 c1c(nc[nH]1)C(=O)O LS20993 [0,0,0,0,1,0|2,0,0]=3 179 B8R1.7 c1c(nco1)C(=O)O LS41294 [0,0,0,0,1,0|2,0,0]=3 180 B8R1.7 c1c(ncs1)C(=O)N LS21083 [0,0,0,0,1,0|3,0,0]=4 181 B8R1.7 c1c(ncs1)C(=O)O LS21061 [0,0,0,0,1,0|2,0,0]=3 182 B8R1.7 c1cc([nH]c1)C(=O)O LS20064 [0,0,0,0,1,0|1,0,0]=2 183 B8R1.7 c1cc(sc1)C(=O)Cl LS20650 [0,0,0,0,1,0|2,0,0]=3 184 B8R1.7 c1cc(sc1)C(=O)O LS20648 [0,0,0,0,1,0|1,0,0]=2 185 B8R1.7 c1cc(sc1)C(=O)[O-] LS21106 [0,0,0,0,1,0|1,0,1]=3 186 B8R1.7 c1cnc([nH]1)C(=O)O LS20563 [0,0,0,0,1,0|2,0,0]=3 187 B8R1.7 c1cnoc1C(=O)O LS20280 [0,0,0,0,1,0|2,0,0]=3 188 B8R1.7 c1conc1C(=O)O LS20146 [0,0,0,0,1,0|2,0,0]=3 189 B8R1.7 c1cscc1C(=O)Cl LS20651 [0,0,0,0,1,0|2,0,0]=3 190 B8R1.7 c1cscc1C(=O)O LS20647 [0,0,0,0,1,0|1,0,0]=2 191 B10R1.18 B(Cc1ccccc1)(O)O LS10783 [0,0,0,0,0,1|1,0,1]=3 192 B10R1.18 CC(=O)Cc1ccncc1 LS00130 [0,0,0,0,0,1|2,0,0]=3 193 B10R1.18 c1ccc(cc1)CC(=O)N LS11701 [0,0,0,0,0,1|1,0,0]=2 194 B7R1.3 c1cc(cnc1)Br LS20426 [2,0,0,0,0,0|2,0,0]=4 195 B7R1.3 c1cc(cnc1)F LS20779 [2,0,0,0,0,0|2,0,0]=4 196 B7R1.3 c1cc[nH]c(=O)c1 LS41474 [2,0,0,0,0,0|1,0,0]=3 197 B7R1.3 c1ccnc(c1)Br LS20874 [2,0,0,0,0,0|2,0,0]=4 198 B7R1.3 c1ccnc(c1)F LS20778 [2,0,0,0,0,0|2,0,0]=4 199 B7R1.3 c1ccnc(c1)N LS20582 [2,0,0,0,0,0|2,0,0]=4 200 B7R1.3 c1cnccc1F LS40545 [2,0,0,0,0,0|2,0,0]=4 201 B7R1.3 c1cnccc1N LS20499 [2,0,0,0,0,0|2,0,0]=4 202 B7R1.3 c1cnccc1O LS21099 [2,0,0,0,0,0|1,0,0]=3 203 B9R1.1 C=Cc1ccc(cc1)Br LS11650 [1,1,0,0,0,0|1,0,0]=3 204 B9R1.1 C=Cc1ccc(cc1)Cl LS11649 [1,1,0,0,0,0|1,0,0]=3 205 B9R1.1 CCc1ccc(cc1)F LS11765 [1,1,0,0,0,0|1,0,1]=4 206 B9R1.1 COc1ccc(cc1)O LS10474 [1,1,0,0,0,0|2,0,0]=4 207 B9R1.1 COc1ccc(cc1)S LS11831 [1,1,0,0,0,0|2,0,0]=4 208 B9R1.1 Cc1ccc(cc1)C#C LS10578 [1,1,0,0,0,0|1,0,1]=4 209 B9R1.1 Cc1ccc(cc1)CBr LS11264 [1,1,0,0,0,0|1,0,1]=4 210 B9R1.1 Cc1ccc(cc1)CN LS11220 [1,1,0,0,0,0|1,0,1]=4 211 B9R1.1 Cc1ccc(cc1)CO LS11273 [1,1,0,0,0,0|0,0,1]=3 212 B9R1.1 c1cc(ccc1C#N)Br LS11574 [1,1,0,0,0,0|1,0,1]=4 213 B9R1.1 c1cc(ccc1C#N)F LS10440 [1,1,0,0,0,0|1,0,1]=4 214 B9R1.1 c1cc(ccc1C#N)N LS10115 [1,1,0,0,0,0|1,0,1]=4 215 B9R1.1 c1cc(ccc1C=O)Cl LS10198 [1,1,0,0,0,0|0,0,0]=2 216 B9R1.1 c1cc(ccc1CBr)Br LS11427 [1,1,0,0,0,0|1,0,1]=4 217 B9R1.1 c1cc(ccc1CBr)F LS10228 [1,1,0,0,0,0|1,0,1]=4 218 B9R1.1 c1cc(ccc1CBr)I LS11269 [1,1,0,0,0,0|1,0,1]=4 219 B9R1.1 c1cc(ccc1CCl)Cl LS11418 [1,1,0,0,0,0|1,0,1]=4 220 B9R1.1 c1cc(ccc1CO)I LS11275 [1,1,0,0,0,0|0,0,1]=3 221 B9R1.1 c1cc(ccc1CO)N LS10779 [1,1,0,0,0,0|0,0,1]=3 222 B9R1.1 c1cc(ccc1NN)F LS10358 [1,1,0,0,0,0|2,0,0]=4 223 B9R1.1 c1cc(ncc1Br)C=O LS20518 [1,1,0,0,0,0|1,0,0]=3 224 B9R1.1 c1cc(ncc1Br)CO LS20572 [1,1,0,0,0,0|1,0,1]=4 225 B9R1.1 c1cc(ncc1C=O)Br LS20544 [1,1,0,0,0,0|1,0,0]=3 226 B9R1.1 c1cc(ncc1C=O)Cl LS20242 [1,1,0,0,0,0|1,0,0]=3 227 B9R1.1 c1cc(ncc1CO)N LS40930 [1,1,0,0,0,0|1,0,1]=4 228 B9R1.1 c1cc(ncc1Cl)C=O LS20775 [1,1,0,0,0,0|1,0,0]=3 229 B9R1.2 C#Cc1cccc(c1)N LS10320 [1,1,0,0,0,0|1,0,1]=4 230 B9R1.2 C=Cc1cccc(c1)Br LS11651 [1,1,0,0,0,0|1,0,0]=3 231 B9R1.2 C=Cc1cccc(c1)Cl LS11652 [1,1,0,0,0,0|1,0,0]=3 232 B9R1.2 C=Cc1cccc(c1)F LS11648 [1,1,0,0,0,0|1,0,0]=3 233 B9R1.2 CNc1cccc(c1)Cl LS10187 [1,1,0,0,0,0|2,0,0]=4 234 B9R1.2 Cc1cccc(c1)C=O LS11853 [1,1,0,0,0,0|0,0,0]=2 235 B9R1.2 Cc1cccc(c1)CBr LS11263 [1,1,0,0,0,0|1,0,1]=4 236 B9R1.2 Cc1cccc(c1)CCl LS11215 [1,1,0,0,0,0|1,0,1]=4 237 B9R1.2 Cc1cccc(c1)CN LS11219 [1,1,0,0,0,0|1,0,1]=4 238 B9R1.2 Cc1cccc(n1)CO LS20207 [1,1,0,0,0,0|1,0,1]=4 239 B9R1.2 c1c(cncc1Br)C=O LS20038 [1,1,0,0,0,0|1,0,0]=3 240 B9R1.2 c1cc(cc(c1)Br)CN LS11217 [1,1,0,0,0,0|1,0,1]=4 241 B9R1.2 c1cc(cc(c1)F)CO LS11387 [1,1,0,0,0,0|0,0,1]=3 242 B9R1.2 c1cc(cc(c1)I)C=O LS10324 [1,1,0,0,0,0|0,0,0]=2 243 B9R1.2 c1cc(cc(c1)I)CBr LS11267 [1,1,0,0,0,0|1,0,1]=4 244 B9R1.2 c1cc(cc(c1)O)C=O LS10593 [1,1,0,0,0,0|0,0,0]=2 245 B9R1.2 c1cc(nc(c1)Cl)C=O LS20219 [1,1,0,0,0,0|1,0,0]=3 246 B9R1.2 c1cnc(cc1CO)N LS21015 [1,1,0,0,0,0|1,0,1]=4 247 B9R1.8 CNNc1ccccc1 LS10173 [1,1,0,0,0,0|2,0,0]=4 248 B9R1.8 c1cc(cnc1)CC=O LS21221 [1,1,0,0,0,0|1,0,0]=3 249 B9R1.8 c1ccc(cc1)CCN LS10634 [1,1,0,0,0,0|1,0,1]=4 250 B9R1.8 c1ccc(cc1)CCN LS10635 [1,1,0,0,0,0|1,0,1]=4 251 B9R1.8 c1ccc(cc1)CNO LS11836 [1,1,0,0,0,0|0,0,1]=3 252 B9R1.8 c1ccc(cc1)CNO LS40338 [1,1,0,0,0,0|0,0,1]=3 253 B9R1.8 c1ccc(cc1)CON LS40003 [1,1,0,0,0,0|0,0,1]=3 254 B9R1.8 c1ccc(cc1)[Se]C#N LS11775 [1,1,0,0,0,0|1,0,1]=4 255 B9R1.15 C=Cc1ccccc1Br LS11653 [1,1,0,0,0,0|1,0,0]=3 256 B9R1.15 C=Cc1ccccc1Cl LS11654 [1,1,0,0,0,0|1,0,0]=3 257 B9R1.15 C=Cc1ccccc1F LS11647 [1,1,0,0,0,0|1,0,0]=3 258 B9R1.15 CNc1ccccc1Br LS11478 [1,1,0,0,0,0|2,0,0]=4 259 B9R1.15 CNc1ccccc1F LS10646 [1,1,0,0,0,0|2,0,0]=4 260 B9R1.15 CSc1ccccc1Br LS11369 [1,1,0,0,0,0|2,0,0]=4 261 B9R1.15 Cc1ccccc1C#C LS11393 [1,1,0,0,0,0|1,0,1]=4 262 B9R1.15 Cc1ccccc1C=O LS11852 [1,1,0,0,0,0|0,0,0]=2 263 B9R1.15 Cc1ccccc1CBr LS11262 [1,1,0,0,0,0|1,0,1]=4 264 B9R1.15 Cc1ccccc1CN LS11218 [1,1,0,0,0,0|1,0,1]=4 265 B9R1.15 Cc1ccccc1CO LS11274 [1,1,0,0,0,0|0,0,1]=3 266 B9R1.15 c1cc(c(nc1)C=O)O LS20166 [1,1,0,0,0,0|1,0,0]=3 267 B9R1.15 c1cc(c(nc1)CO)O LS20165 [1,1,0,0,0,0|1,0,1]=4 268 B9R1.15 c1cc(c(nc1)Cl)C=O LS20395 [1,1,0,0,0,0|1,0,0]=3 269 B9R1.15 c1cc(c(nc1)Cl)CO LS20227 [1,1,0,0,0,0|1,0,1]=4 270 B9R1.15 c1cc(c(nc1)N)C=O LS41434 [1,1,0,0,0,0|1,0,0]=3 271 B9R1.15 c1cc(c(nc1)N)CO LS41435 [1,1,0,0,0,0|1,0,1]=4 272 B9R1.15 c1cc(c(nc1)O)C=O LS21175 [1,1,0,0,0,0|1,0,0]=3 273 B9R1.15 c1ccc(c(c1)C#N)Br LS11428 [1,1,0,0,0,0|1,0,1]=4 274 B9R1.15 c1ccc(c(c1)C#N)O LS10639 [1,1,0,0,0,0|1,0,1]=4 275 B9R1.15 c1ccc(c(c1)C=O)N LS10114 [1,1,0,0,0,0|0,0,0]=2 276 B9R1.15 c1ccc(c(c1)CBr)F LS11504 [1,1,0,0,0,0|1,0,1]=4 277 B9R1.15 c1ccc(c(c1)CBr)I LS11268 [1,1,0,0,0,0|1,0,1]=4 278 B9R1.15 c1ccc(c(c1)CN)Br LS11216 [1,1,0,0,0,0|1,0,1]=4 279 B9R1.15 c1ccc(c(c1)CO)F LS11270 [1,1,0,0,0,0|0,0,1]=3 280 B9R1.15 c1ccc(c(c1)CO)I LS11276 [1,1,0,0,0,0|0,0,1]=3 281 B9R1.15 c1ccc(c(c1)CO)N LS10594 [1,1,0,0,0,0|0,0,1]=3 282 B9R1.15 c1ccc(c(c1)NN)Br LS11826 [1,1,0,0,0,0|2,0,0]=4 283 B9R1.15 c1ccc(c(c1)NN)F LS11539 [1,1,0,0,0,0|2,0,0]=4 284 B9R1.15 c1cncc(c1C=O)Br LS20109 [1,1,0,0,0,0|1,0,0]=3 285 B9R1.11 COC(=O)c1c[nH]cn1 LS20049 [0,1,0,0,1,0|2,0,0]=4 286 B9R1.11 COC(=O)c1ccc[nH]1 LS20248 [0,1,0,0,1,0|1,0,0]=3 287 B9R1.35 Cc1cc([nH]n1)C(=O)O LS20817 [0,1,0,0,1,0|2,0,0]=4 288 B9R1.35 Cc1cc(n[nH]1)C(=O)O LS20295 [0,1,0,0,1,0|2,0,0]=4 289 B9R1.35 Cc1ccc(s1)C(=O)O LS20662 [0,1,0,0,1,0|1,0,0]=3 290 B9R1.35 Cc1ncc(s1)C(=O)O LS21069 [0,1,0,0,1,0|2,0,0]=4 291 B9R1.35 c1c(csc1C(=O)O)Br LS20661 [0,1,0,0,1,0|1,0,0]=3 292 B9R1.35 c1c(sc(n1)Br)C(=O)O LS21091 [0,1,0,0,1,0|2,0,0]=4 293 B9R1.35 c1cc(sc1C(=O)O)Br LS20297 [0,1,0,0,1,0|1,0,0]=3 294 B9R1.35 c1cc(sc1C(=O)O)Cl LS20472 [0,1,0,0,1,0|1,0,0]=3 295 B9R1.41 Cc1c(con1)C(=O)O LS20143 [0,1,0,0,1,0|2,0,0]=4 296 B9R1.41 Cc1ccsc1C(=O)O LS20659 [0,1,0,0,1,0|1,0,0]=3 297 B9R1.41 Cn1c(ccn1)C(=O)O LS20083 [0,1,0,0,1,0|2,0,0]=4 298 B9R1.41 c1csc(c1Br)C(=O)O LS20750 [0,1,0,0,1,0|1,0,0]=3 299 B9R1.41 c1csc(c1C(=O)O)Br LS20833 [0,1,0,0,1,0|1,0,0]=3 300 B9R1.41 c1csc(c1Cl)C(=O)O LS20749 [0,1,0,0,1,0|1,0,0]=3 301 B9R1.41 c1nc(c(s1)Br)C(=O)O LS21078 [0,1,0,0,1,0|2,0,0]=4 302 B11R1.20 CC(=O)Cc1ccc(cc1)Br LS11255 [0,1,0,0,0,1|1,0,0]=3 303 B11R1.20 CC(=O)Cc1ccc(cc1)Cl LS11258 [0,1,0,0,0,1|1,0,0]=3 304 B11R1.20 CC(=O)Cc1ccc(cc1)F LS11260 [0,1,0,0,0,1|1,0,0]=3 305 B11R1.20 CC(=O)Oc1ccc(cc1)F LS10377 [0,1,0,0,0,1|1,0,0]=3 306 B11R1.20 Cc1ccc(cc1)CC(=O)C LS11261 [0,1,0,0,0,1|1,0,0]=3 307 B11R1.20 Cc1ccc(cc1)NC(=O)C LS11875 [0,1,0,0,0,1|1,0,0]=3 308 B11R1.20 c1cc(ccc1CC(=O)N)O LS11370 [0,1,0,0,0,1|1,0,0]=3 309 B11R1.20 c1cc(ccc1CC(=O)O)Br LS10304 [0,1,0,0,0,1|0,0,0]=2 310 B11R1.20 c1cc(ccc1CC(=O)O)O LS10592 [0,1,0,0,0,1|0,0,0]=2 311 B11R1.36 CC(c1ccccc1)C(=O)O LS10633 [0,1,0,0,0,1|0,0,0]=2 312 B11R1.36 C[C@H](c1ccccc1)C(=O)O LS30098 [0,1,0,0,0,1|0,0,0]=2 313 B11R1.36 c1ccc(cc1)C(C(=O)O)O LS00073 [0,1,0,0,0,1|0,0,0]=2 314 B11R1.86 CC(=O)Cc1ccccc1Br LS11253 [0,1,0,0,0,1|1,0,0]=3 315 B11R1.86 CC(=O)Cc1ccccc1Cl LS11256 [0,1,0,0,0,1|1,0,0]=3 316 B11R1.86 CC(=O)Cc1ccccc1F LS11259 [0,1,0,0,0,1|1,0,0]=3 317 B11R1.86 c1ccc(c(c1)CC(=O)O)O LS10642 [0,1,0,0,0,1|0,0,0]=2 318 B11R1.157 CC(=O)Cc1cccc(c1)Br LS11254 [0,1,0,0,0,1|1,0,0]=3 319 B11R1.157 CC(=O)Cc1cccc(c1)Cl LS11257 [0,1,0,0,0,1|1,0,0]=3 320 B11R1.157 CC(=O)Nc1cccc(n1)N LS20129 [0,1,0,0,0,1|2,0,0]=4 321 B11R1.509 CS(=O)(=O)Nc1ccccc1 LS40014 [0,1,0,0,0,1|1,0,1]=4 322 B11R1.3 B(c1ccc(cc1)C#N)(O)O LS00153 [0,2,0,0,0,0|1,0,1]=4 323 B11R1.3 B(c1ccc(cc1)C=O)(O)O LS00096 [0,2,0,0,0,0|1,0,1]=4 324 B11R1.3 B(c1ccc(cc1)CBr)(O)O LS10869 [0,2,0,0,0,0|1,0,1]=4 325 B11R1.3 B(c1ccc(cc1)CC)(O)O LS10888 [0,2,0,0,0,0|1,0,1]=4 326 B11R1.3 B(c1ccc(cc1)CO)(O)O LS10891 [0,2,0,0,0,0|1,0,1]=4 327 B11R1.3 B(c1ccc(cc1)OC)(O)O LS10897 [0,2,0,0,0,0|1,0,1]=4 328 B11R1.3 B(c1ccc(cc1)SC)(O)O LS10900 [0,2,0,0,0,0|1,0,1]=4 329 B11R1.3 CC(=C)c1ccc(cc1)OC LS10061 [0,2,0,0,0,0|2,0,0]=4 330 B11R1.3 CC(=O)c1ccc(nc1)OC LS20033 [0,2,0,0,0,0|2,0,0]=4 331 B11R1.3 CNc1ccc(cc1)[N+](=O)[O-] LS11522 [0,2,0,0,0,0|1,0,1]=4 332 B11R1.3 COc1ccc(cc1)C(=O)O LS11457 [0,2,0,0,0,0|0,0,0]=2 333 B11R1.3 c1cc(ccc1C=O)C(=O)O LS10649 [0,2,0,0,0,0|0,0,0]=2 334 B11R1.3 c1cc(ccc1CCl)C(=O)O LS11536 [0,2,0,0,0,0|0,0,0]=2 335 B11R1.3 c1cc(ccc1CO)[N+](=O)[O-] LS10721 [0,2,0,0,0,0|1,0,1]=4 336 B11R1.19 CC(C)(c1ccc(cc1)Br)O LS11332 [0,2,0,0,0,0|1,0,1]=4 337 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O LS30073 [0,2,0,0,0,0|1,0,0]=3 338 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O LS30074 [0,2,0,0,0,0|1,0,0]=3 339 B11R1.19 Cc1ccc(cc1)S(=O)(=O)[O-] LS40936 [0,2,0,0,0,0|1,0,1]=4 340 B11R1.19 c1cc(ccc1O)S(=O)(=O)O LS10671 [0,2,0,0,0,0|1,0,0]=3 341 B11R1.19 c1cc(ccc1O)S(=O)(=O)[O-] LS40551 [0,2,0,0,0,0|1,0,1]=4 342 B11R1.19 c1cc(ccc1O)S(=O)(=O)[O-] LS40552 [0,2,0,0,0,0|1,0,1]=4 343 B11R1.19 c1cc(ccc1S(=O)(=O)O)Cl LS10688 [0,2,0,0,0,0|1,0,0]=3 344 B11R1.21 B(c1ccc(c(c1)C)C)(O)O LS10947 [0,2,0,0,0,0|1,0,1]=4 345 B11R1.21 B(c1ccc(c(c1)C)F)(O)O LS11041 [0,2,0,0,0,0|1,0,1]=4 346 B11R1.21 B(c1ccc(c(c1)Cl)C)(O)O LS11005 [0,2,0,0,0,0|1,0,1]=4 347 B11R1.21 B(c1ccc(c(c1)Cl)Cl)(O)O LS10944 [0,2,0,0,0,0|1,0,1]=4 348 B11R1.21 B(c1ccc(c(c1)Cl)F)(O)O LS11001 [0,2,0,0,0,0|1,0,1]=4 349 B11R1.21 B(c1ccc(c(c1)Cl)O)(O)O LS11002 [0,2,0,0,0,0|1,0,1]=4 350 B11R1.21 B(c1ccc(c(c1)F)C)(O)O LS11014 [0,2,0,0,0,0|1,0,1]=4 351 B11R1.21 B(c1ccc(c(c1)F)Cl)(O)O LS11032 [0,2,0,0,0,0|1,0,1]=4 352 B11R1.21 B(c1ccc(c(c1)F)F)(O)O LS10945 [0,2,0,0,0,0|1,0,1]=4 353 B11R1.21 B(c1ccc(c(c1)N)C)(O)O LS10990 [0,2,0,0,0,0|1,0,1]=4 354 B11R1.21 B(c1ccc(c(c1)N)F)(O)O LS10989 [0,2,0,0,0,0|1,0,1]=4 355 B11R1.21 Cc1cc(ccc1F)[N+](=O)[O-] LS10563 [0,2,0,0,0,0|1,0,1]=4 356 B11R1.21 Cc1cc(ccc1N)[N+](=O)[O-] LS10652 [0,2,0,0,0,0|1,0,1]=4 357 B11R1.21 Cc1ccc(cc1Br)C(=O)O LS10330 [0,2,0,0,0,0|0,0,0]=2 358 B11R1.21 Cc1ccc(cc1Br)[N+](=O)[O-] LS10327 [0,2,0,0,0,0|1,0,1]=4 359 B11R1.21 Cc1ccc(cc1Cl)C(=O)O LS10663 [0,2,0,0,0,0|0,0,0]=2 360 B11R1.21 Cc1ccc(cc1F)C(=O)O LS10532 [0,2,0,0,0,0|0,0,0]=2 361 B11R1.21 Cc1ccc(cc1F)[N+](=O)[O-] LS10437 [0,2,0,0,0,0|1,0,1]=4 362 B11R1.21 c1cc(c(cc1C(=O)O)F)F LS11167 [0,2,0,0,0,0|0,0,0]=2 363 B11R1.21 c1cc(c(cc1C(=O)[O-])F)F LS11168 [0,2,0,0,0,0|0,0,1]=3 364 B11R1.21 c1cc(c(cc1[N+](=O)[O-])Br)F LS11373 [0,2,0,0,0,0|1,0,1]=4 365 B11R1.21 c1cc(c(cc1[N+](=O)[O-])Cl)Cl LS11567 [0,2,0,0,0,0|1,0,1]=4 366 B11R1.21 c1cc(c(cc1[N+](=O)[O-])F)Cl LS10013 [0,2,0,0,0,0|1,0,1]=4 367 B11R1.21 c1cc(c(cc1[N+](=O)[O-])I)N LS10036 [0,2,0,0,0,0|1,0,1]=4 368 B11R1.21 c1cc(c(cc1[N+](=O)[O-])N)Cl LS10712 [0,2,0,0,0,0|1,0,1]=4 369 B11R1.21 c1cc(c(cc1[N+](=O)[O-])O)Cl LS10723 [0,2,0,0,0,0|1,0,1]=4 370 B11R1.21 c1cc(c(cc1[N+](=O)[O-])O)F LS10316 [0,2,0,0,0,0|1,0,1]=4 371 B11R1.22 COC(=O)c1ccc(nc1)Cl LS20217 [0,2,0,0,0,0|1,0,0]=3 372 B11R1.22 COC(=O)c1ccc(nc1)N LS20441 [0,2,0,0,0,0|1,0,0]=3 373 B11R1.22 COC(=O)c1cnc(nc1)Cl LS20786 [0,2,0,0,0,0|2,0,0]=4 374 B11R1.22 Cc1ccc(cn1)C(=O)OC LS20731 [0,2,0,0,0,0|1,0,0]=3 375 B11R1.22 c1cc(ccc1C(=O)CN)Br LS11597 [0,2,0,0,0,0|1,0,0]=3 376 B11R1.22 c1cc(ccc1C(=O)NN)Cl LS11767 [0,2,0,0,0,0|1,0,0]=3 377 B11R1.22 c1cc(ccc1C(CN)O)O LS41256 [0,2,0,0,0,0|1,0,1]=4 378 B11R1.166 B(c1ccc(cc1C)C)(O)O LS10933 [0,2,0,0,0,0|1,0,1]=4 379 B11R1.166 B(c1ccc(cc1C)Cl)(O)O LS11030 [0,2,0,0,0,0|1,0,1]=4 380 B11R1.166 B(c1ccc(cc1C)F)(O)O LS11036 [0,2,0,0,0,0|1,0,1]=4 381 B11R1.166 B(c1ccc(cc1C)O)(O)O LS11044 [0,2,0,0,0,0|1,0,1]=4 382 B11R1.166 B(c1ccc(cc1Cl)C)(O)O LS11410 [0,2,0,0,0,0|1,0,1]=4 383 B11R1.166 B(c1ccc(cc1Cl)Cl)(O)O LS10929 [0,2,0,0,0,0|1,0,1]=4 384 B11R1.166 B(c1ccc(cc1Cl)F)(O)O LS10970 [0,2,0,0,0,0|1,0,1]=4 385 B11R1.166 B(c1ccc(cc1F)Br)(O)O LS11028 [0,2,0,0,0,0|1,0,1]=4 386 B11R1.166 B(c1ccc(cc1F)C)(O)O LS10981 [0,2,0,0,0,0|1,0,1]=4 387 B11R1.166 B(c1ccc(cc1F)Cl)(O)O LS10243 [0,2,0,0,0,0|1,0,1]=4 388 B11R1.166 B(c1ccc(cc1F)F)(O)O LS10930 [0,2,0,0,0,0|1,0,1]=4 389 B11R1.166 CC(=O)c1ccc(cc1Cl)Br LS10361 [0,2,0,0,0,0|1,0,0]=3 390 B11R1.166 CC(=O)c1ccc(cc1F)Cl LS10306 [0,2,0,0,0,0|1,0,0]=3 391 B11R1.166 CC(=O)c1ccc(cc1O)F LS10126 [0,2,0,0,0,0|1,0,0]=3 392 B11R1.166 Cc1cc(ccc1C(=O)O)F LS10581 [0,2,0,0,0,0|0,0,0]=2 393 B11R1.166 Cc1cc(ccc1[N+](=O)[O-])F LS11421 [0,2,0,0,0,0|1,0,1]=4 394 B11R1.166 Cc1ccc(c(c1)F)C(=O)O LS10521 [0,2,0,0,0,0|0,0,0]=2 395 B11R1.166 Cc1ccc(c(c1)F)[N+](=O)[O-] LS10436 [0,2,0,0,0,0|1,0,1]=4 396 B11R1.166 Cc1ccc(c(n1)Cl)C(=O)O LS20787 [0,2,0,0,0,0|1,0,0]=3 397 B11R1.166 c1c(c(=O)[nH]c(=O)[nH]1)C(=O)O LS20799 [0,2,0,0,0,0|2,0,0]=4 398 B11R1.166 c1c(cnc(c1Br)C(=O)O)Br LS20021 [0,2,0,0,0,0|1,0,0]=3 399 B11R1.166 c1cc(c(cc1Br)Br)C(=O)O LS10326 [0,2,0,0,0,0|0,0,0]=2 400 B11R1.166 c1cc(c(cc1Br)Cl)C(=O)O LS10346 [0,2,0,0,0,0|0,0,0]=2 401 B11R1.166 c1cc(c(cc1Br)F)C(=O)O LS10691 [0,2,0,0,0,0|0,0,0]=2 402 B11R1.166 c1cc(c(cc1Br)F)[N+](=O)[O-] LS10479 [0,2,0,0,0,0|1,0,1]=4 403 B11R1.166 c1cc(c(cc1Br)N)C(=O)O LS11470 [0,2,0,0,0,0|0,0,0]=2 404 B11R1.166 c1cc(c(cc1Cl)Cl)C(=O)O LS10673 [0,2,0,0,0,0|0,0,0]=2 405 B11R1.166 c1cc(c(cc1Cl)F)[N+](=O)[O-] LS00111 [0,2,0,0,0,0|1,0,1]=4 406 B11R1.166 c1cc(c(cc1Cl)N)C(=O)N LS10587 [0,2,0,0,0,0|1,0,0]=3 407 B11R1.166 c1cc(c(cc1Cl)N)C(=O)O LS11433 [0,2,0,0,0,0|0,0,0]=2 408 B11R1.166 c1cc(c(cc1Cl)O)C(=O)O LS10716 [0,2,0,0,0,0|0,0,0]=2 409 B11R1.166 c1cc(c(cc1F)Br)[N+](=O)[O-] LS10299 [0,2,0,0,0,0|1,0,1]=4 410 B11R1.166 c1cc(c(cc1F)Cl)[N+](=O)[O-] LS10294 [0,2,0,0,0,0|1,0,1]=4 411 B11R1.166 c1cc(c(cc1F)F)C(=O)[O-] LS11163 [0,2,0,0,0,0|0,0,1]=3 412 B11R1.166 c1cc(c(cc1F)N)C(=O)O LS10234 [0,2,0,0,0,0|0,0,0]=2 413 B11R1.166 c1cc(c(cc1F)N)[N+](=O)[O-] LS10279 [0,2,0,0,0,0|1,0,1]=4 414 B11R1.166 c1cc(c(cc1F)O)C(=O)O LS11396 [0,2,0,0,0,0|0,0,0]=2 415 B11R1.166 c1cc(c(cc1N)Br)[N+](=O)[O-] LS10292 [0,2,0,0,0,0|1,0,1]=4 416 B11R1.166 c1cc(c(cc1N)Cl)C(=O)O LS10725 [0,2,0,0,0,0|0,0,0]=2 417 B11R1.166 c1cc(c(cc1N)F)[N+](=O)[O-] LS10280 [0,2,0,0,0,0|1,0,1]=4 418 B11R1.166 c1cc(c(cc1O)Cl)C(=O)O LS11739 [0,2,0,0,0,0|0,0,0]=2 419 B11R1.166 c1cc(c(cc1O)F)[N+](=O)[O-] LS00120 [0,2,0,0,0,0|1,0,1]=4 420 B11R1.166 c1cc(c(cc1O)I)[N+](=O)[O-] LS10155 [0,2,0,0,0,0|1,0,1]=4 421 B11R1.166 c1cc(c(cc1O)O)C(=O)N LS10714 [0,2,0,0,0,0|1,0,0]=3 422 B11R1.166 c1cc(nc(c1C(=O)O)Cl)Cl LS20515 [0,2,0,0,0,0|1,0,0]=3 423 B11R1.7 C=CS(=O)(=O)c1ccccc1 LS11432 [0,2,0,0,0,0|1,0,1]=4 424 B11R1.12 CN[C@@H](CO)c1ccccc1 LS30211 [0,2,0,0,0,0|1,0,1]=4 425 B11R1.12 CN[C@H](CO)c1ccccc1 LS30210 [0,2,0,0,0,0|1,0,1]=4 426 B11R1.16 CCOC(=O)c1cccnc1 LS00014 [0,2,0,0,0,0|1,0,0]=3 427 B11R1.16 C[C@@H](c1ccccc1)N=C=O LS30276 [0,2,0,0,0,0|1,0,1]=4 428 B11R1.16 c1ccc(cc1)[C@@H](CCCl)O LS30119 [0,2,0,0,0,0|1,0,1]=4 429 B11R1.23 CCC(=O)c1cccc(c1)Cl LS41311 [0,2,0,0,0,0|1,0,0]=3 430 B11R1.23 CNC(=O)c1cc(ccn1)Cl LS21026 [0,2,0,0,0,0|2,0,0]=4 431 B11R1.23 COC(=O)c1cc(ccn1)Cl LS20268 [0,2,0,0,0,0|1,0,0]=3 432 B11R1.23 COC(=O)c1cc(cnc1)Br LS20201 [0,2,0,0,0,0|1,0,0]=3 433 B11R1.23 COC(=O)c1ccnc(c1)Br LS20070 [0,2,0,0,0,0|1,0,0]=3 434 B11R1.23 c1cc(cc(c1)Cl)C(=O)CCl LS10356 [0,2,0,0,0,0|1,0,0]=3 435 B11R1.222 CCC(=O)c1ccccc1Cl LS11338 [0,2,0,0,0,0|1,0,0]=3 436 B11R1.222 CNC(=O)c1ccccc1N LS11490 [0,2,0,0,0,0|1,0,0]=3 437 B11R1.222 COC(=O)c1ccccc1Cl LS10628 [0,2,0,0,0,0|0,0,0]=2 438 B11R1.222 COC(=O)c1cccnc1N LS20032 [0,2,0,0,0,0|1,0,0]=3 439 B11R1.222 Cc1ccccc1C(=O)CBr LS11319 [0,2,0,0,0,0|1,0,0]=3 440 B11R1.87 Cc1ccccc1S(=O)(=O)N LS10653 [0,2,0,0,0,0|1,0,1]=4 441 B11R1.87 c1ccc(c(c1)F)S(=O)(=O)Cl LS10759 [0,2,0,0,0,0|1,0,1]=4 442 B11R1.87 c1ccc(c(c1)S(=O)(=O)N)Cl LS11841 [0,2,0,0,0,0|1,0,1]=4 443 B11R1.155 CC(C)(c1cccc(c1)Br)O LS10604 [0,2,0,0,0,0|1,0,1]=4 444 B11R1.155 c1cc(cc(c1)S(=O)(=O)Cl)F LS10760 [0,2,0,0,0,0|1,0,1]=4 445 B11R1.53 B(c1ccccc1C#N)(O)O LS10807 [0,2,0,0,0,0|1,0,1]=4 446 B11R1.53 B(c1ccccc1C=O)(O)O LS00094 [0,2,0,0,0,0|1,0,1]=4 447 B11R1.53 B(c1ccccc1C=O)(O)O LS00094 [0,2,0,0,0,0|1,0,1]=4 448 B11R1.53 B(c1ccccc1CBr)(O)O LS10791 [0,2,0,0,0,0|1,0,1]=4 449 B11R1.53 B(c1ccccc1CC)(O)O LS10539 [0,2,0,0,0,0|1,0,1]=4 450 B11R1.53 B(c1ccccc1CO)(O)O LS10798 [0,2,0,0,0,0|1,0,1]=4 451 B11R1.53 B(c1ccccc1OC)(O)O LS10801 [0,2,0,0,0,0|1,0,1]=4 452 B11R1.53 B(c1ccccc1SC)(O)O LS00116 [0,2,0,0,0,0|1,0,1]=4 453 B11R1.53 COc1ccccc1C(=O)Cl LS11458 [0,2,0,0,0,0|1,0,0]=3 454 B11R1.53 COc1ccccc1C(=O)O LS11456 [0,2,0,0,0,0|0,0,0]=2 455 B11R1.156 B(c1c(cccc1Br)F)(O)O LS11301 [0,2,0,0,0,0|1,0,1]=4 456 B11R1.156 B(c1c(cccc1C)C)(O)O LS10942 [0,2,0,0,0,0|1,0,1]=4 457 B11R1.156 B(c1c(cccc1Cl)Cl)(O)O LS10938 [0,2,0,0,0,0|1,0,1]=4 458 B11R1.156 B(c1c(cccc1F)F)(O)O LS10939 [0,2,0,0,0,0|1,0,1]=4 459 B11R1.156 CC(=O)c1c(cccc1Br)F LS11304 [0,2,0,0,0,0|1,0,0]=3 460 B11R1.156 CC(=O)c1c(cccc1F)F LS11166 [0,2,0,0,0,0|1,0,0]=3 461 B11R1.156 Cc1cccc(c1C(=O)O)O LS10070 [0,2,0,0,0,0|0,0,0]=2 462 B11R1.156 c1cc(c(c(c1)Br)C(=O)O)Cl LS10321 [0,2,0,0,0,0|0,0,0]=2 463 B11R1.156 c1cc(c(c(c1)Br)C(=O)O)F LS11335 [0,2,0,0,0,0|0,0,0]=2 464 B11R1.156 c1cc(c(c(c1)Br)C(=O)O)N LS10138 [0,2,0,0,0,0|0,0,0]=2 465 B11R1.156 c1cc(c(c(c1)Br)[N+](=O)[O-])Br LS11640 [0,2,0,0,0,0|1,0,1]=4 466 B11R1.156 c1cc(c(c(c1)Cl)C(=O)Cl)Cl LS11443 [0,2,0,0,0,0|1,0,0]=3 467 B11R1.156 c1cc(c(c(c1)Cl)C(=O)O)Cl LS11437 [0,2,0,0,0,0|0,0,0]=2 468 B11R1.156 c1cc(c(c(c1)Cl)C(=O)O)N LS11434 [0,2,0,0,0,0|0,0,0]=2 469 B11R1.156 c1cc(c(c(c1)Cl)[N+](=O)[O-])Cl LS11646 [0,2,0,0,0,0|1,0,1]=4 470 B11R1.156 c1cc(c(c(c1)Cl)[N+](=O)[O-])N LS10372 [0,2,0,0,0,0|1,0,1]=4 471 B11R1.156 c1cc(c(c(c1)F)C(=O)O)N LS10583 [0,2,0,0,0,0|0,0,0]=2 472 B11R1.156 c1cc(c(c(c1)F)C(=O)O)O LS10249 [0,2,0,0,0,0|0,0,0]=2 473 B11R1.156 c1cc(c(c(c1)F)[N+](=O)[O-])F LS11645 [0,2,0,0,0,0|1,0,1]=4 474 B11R1.159 B(c1cccc(c1C)C)(O)O LS10927 [0,2,0,0,0,0|1,0,1]=4 475 B11R1.159 B(c1cccc(c1C)F)(O)O LS11009 [0,2,0,0,0,0|1,0,1]=4 476 B11R1.159 B(c1cccc(c1Cl)Cl)(O)O LS10923 [0,2,0,0,0,0|1,0,1]=4 477 B11R1.159 B(c1cccc(c1F)Br)(O)O LS11300 [0,2,0,0,0,0|1,0,1]=4 478 B11R1.159 B(c1cccc(c1F)Cl)(O)O LS10998 [0,2,0,0,0,0|1,0,1]=4 479 B11R1.159 B(c1cccc(c1F)F)(O)O LS10924 [0,2,0,0,0,0|1,0,1]=4 480 B11R1.159 B(c1cccc(c1O)Br)(O)O LS10991 [0,2,0,0,0,0|1,0,1]=4 481 B11R1.159 CC(=O)c1cccc(c1F)Br LS10318 [0,2,0,0,0,0|1,0,0]=3 482 B11R1.159 CC(c1cccc(c1F)Br)O LS11305 [0,2,0,0,0,0|1,0,1]=4 483 B11R1.159 Cc1c(cccc1F)C(=O)O LS10580 [0,2,0,0,0,0|0,0,0]=2 484 B11R1.159 Cc1c(cccc1I)C(=O)O LS10045 [0,2,0,0,0,0|0,0,0]=2 485 B11R1.159 Cc1c(cccc1O)[N+](=O)[O-] LS11806 [0,2,0,0,0,0|1,0,1]=4 486 B11R1.159 Cc1cccc(c1C)C(=O)O LS11825 [0,2,0,0,0,0|0,0,0]=2 487 B11R1.159 Cc1cccc(c1I)C(=O)O LS10145 [0,2,0,0,0,0|0,0,0]=2 488 B11R1.159 Cc1cccc(c1N)C(=O)O LS11462 [0,2,0,0,0,0|0,0,0]=2 489 B11R1.159 c1cc(c(c(c1)Br)F)C(=O)O LS10579 [0,2,0,0,0,0|0,0,0]=2 490 B11R1.159 c1cc(c(c(c1)Br)F)[N+](=O)[O-] LS10297 [0,2,0,0,0,0|1,0,1]=4 491 B11R1.159 c1cc(c(c(c1)Br)N)C(=O)N LS11488 [0,2,0,0,0,0|1,0,0]=3 492 B11R1.159 c1cc(c(c(c1)Br)N)C(=O)O LS11484 [0,2,0,0,0,0|0,0,0]=2 493 B11R1.159 c1cc(c(c(c1)Br)O)[N+](=O)[O-] LS10741 [0,2,0,0,0,0|1,0,1]=4 494 B11R1.159 c1cc(c(c(c1)Cl)Cl)C(=O)O LS11460 [0,2,0,0,0,0|0,0,0]=2 495 B11R1.159 c1cc(c(c(c1)Cl)F)C(=O)O LS11404 [0,2,0,0,0,0|0,0,0]=2 496 B11R1.159 c1cc(c(c(c1)Cl)F)[N+](=O)[O-] LS10463 [0,2,0,0,0,0|1,0,1]=4 497 B11R1.159 c1cc(c(c(c1)Cl)N)C(=O)O LS11486 [0,2,0,0,0,0|0,0,0]=2 498 B11R1.159 c1cc(c(c(c1)F)Br)C(=O)O LS10584 [0,2,0,0,0,0|0,0,0]=2 499 B11R1.159 c1cc(c(c(c1)F)F)C(=O)O LS11162 [0,2,0,0,0,0|0,0,0]=2 500 B11R1.159 c1cc(c(c(c1)F)N)C(=O)O LS11485 [0,2,0,0,0,0|0,0,0]=2 501 B11R1.159 c1cc(c(c(c1)I)F)C(=O)O LS10522 [0,2,0,0,0,0|0,0,0]=2 502 B11R1.159 c1cc(c(c(c1)N)F)C(=O)O LS10012 [0,2,0,0,0,0|0,0,0]=2 503 B11R1.159 c1cc(c(c(c1)N)N)C(=O)N LS11444 [0,2,0,0,0,0|1,0,0]=3 504 B11R1.159 c1cc(c(c(c1)N)N)C(=O)O LS11459 [0,2,0,0,0,0|0,0,0]=2 505 B11R1.159 c1cc(c(c(c1)O)Br)[N+](=O)[O-] LS11792 [0,2,0,0,0,0|1,0,1]=4 506 B11R1.159 c1cc(c(c(c1)O)O)C(=O)O LS10681 [0,2,0,0,0,0|0,0,0]=2 507 B11R1.167 B(c1cc(ccc1C)C)(O)O LS10937 [0,2,0,0,0,0|1,0,1]=4 508 B11R1.167 B(c1cc(ccc1C)Cl)(O)O LS11051 [0,2,0,0,0,0|1,0,1]=4 509 B11R1.167 B(c1cc(ccc1C)F)(O)O LS11054 [0,2,0,0,0,0|1,0,1]=4 510 B11R1.167 B(c1cc(ccc1Cl)Cl)(O)O LS10934 [0,2,0,0,0,0|1,0,1]=4 511 B11R1.167 B(c1cc(ccc1Cl)F)(O)O LS10975 [0,2,0,0,0,0|1,0,1]=4 512 B11R1.167 B(c1cc(ccc1F)C)(O)O LS10983 [0,2,0,0,0,0|1,0,1]=4 513 B11R1.167 B(c1cc(ccc1F)Cl)(O)O LS11048 [0,2,0,0,0,0|1,0,1]=4 514 B11R1.167 B(c1cc(ccc1F)F)(O)O LS10935 [0,2,0,0,0,0|1,0,1]=4 515 B11R1.167 B(c1cc(ccc1O)Cl)(O)O LS11049 [0,2,0,0,0,0|1,0,1]=4 516 B11R1.167 B(c1cc(ccc1O)F)(O)O LS11052 [0,2,0,0,0,0|1,0,1]=4 517 B11R1.167 CC(=O)c1cc(ccc1Br)Cl LS11579 [0,2,0,0,0,0|1,0,0]=3 518 B11R1.167 CC(=O)c1cc(ccc1Br)F LS10365 [0,2,0,0,0,0|1,0,0]=3 519 B11R1.167 CC(=O)c1cc(ccc1F)Br LS10106 [0,2,0,0,0,0|1,0,0]=3 520 B11R1.167 CC(=O)c1cc(ccc1I)F LS10113 [0,2,0,0,0,0|1,0,0]=3 521 B11R1.167 CC(=O)c1cc(ccc1O)O LS11715 [0,2,0,0,0,0|1,0,0]=3 522 B11R1.167 Cc1ccc(c(c1)C(=O)O)I LS10696 [0,2,0,0,0,0|0,0,0]=2 523 B11R1.167 Cc1ccc(cc1C(=O)O)Br LS10562 [0,2,0,0,0,0|0,0,0]=2 524 B11R1.167 Cc1ccc(cc1C(=O)O)F LS10582 [0,2,0,0,0,0|0,0,0]=2 525 B11R1.167 Cc1ccc(cc1C(=O)O)I LS11399 [0,2,0,0,0,0|0,0,0]=2 526 B11R1.167 Cc1ccc(cc1[N+](=O)[O-])Cl LS10692 [0,2,0,0,0,0|1,0,1]=4 527 B11R1.167 Cc1ccc(cc1[N+](=O)[O-])O LS10704 [0,2,0,0,0,0|1,0,1]=4 528 B11R1.167 c1c(c(cnc1F)F)C(=O)O LS20887 [0,2,0,0,0,0|1,0,0]=3 529 B11R1.167 c1c(cnc(c1C(=O)O)Cl)Br LS20228 [0,2,0,0,0,0|1,0,0]=3 530 B11R1.167 c1c(cnc(c1C(=O)O)Cl)Cl LS20422 [0,2,0,0,0,0|1,0,0]=3 531 B11R1.167 c1c(cnc(c1C(=O)O)O)Br LS20421 [0,2,0,0,0,0|1,0,0]=3 532 B11R1.167 c1cc(c(cc1Br)C(=O)N)N LS11489 [0,2,0,0,0,0|1,0,0]=3 533 B11R1.167 c1cc(c(cc1Br)C(=O)O)Cl LS11201 [0,2,0,0,0,0|0,0,0]=2 534 B11R1.167 c1cc(c(cc1Br)C(=O)O)F LS10585 [0,2,0,0,0,0|0,0,0]=2 535 B11R1.167 c1cc(c(cc1Br)C(=O)O)N LS10708 [0,2,0,0,0,0|0,0,0]=2 536 B11R1.167 c1cc(c(cc1Br)[N+](=O)[O-])N LS10329 [0,2,0,0,0,0|1,0,1]=4 537 B11R1.167 c1cc(c(cc1Cl)C(=O)N)N LS10559 [0,2,0,0,0,0|1,0,0]=3 538 B11R1.167 c1cc(c(cc1Cl)C(=O)N)O LS10567 [0,2,0,0,0,0|1,0,0]=3 539 B11R1.167 c1cc(c(cc1Cl)C(=O)O)Cl LS11832 [0,2,0,0,0,0|0,0,0]=2 540 B11R1.167 c1cc(c(cc1Cl)C(=O)O)N LS10348 [0,2,0,0,0,0|0,0,0]=2 541 B11R1.167 c1cc(c(cc1Cl)C(=O)O)O LS11420 [0,2,0,0,0,0|0,0,0]=2 542 B11R1.167 c1cc(c(cc1Cl)[N+](=O)[O-])Br LS10345 [0,2,0,0,0,0|1,0,1]=4 543 B11R1.167 c1cc(c(cc1F)C(=O)N)N LS11474 [0,2,0,0,0,0|1,0,0]=3 544 B11R1.167 c1cc(c(cc1F)C(=O)O)F LS11164 [0,2,0,0,0,0|0,0,0]=2 545 B11R1.167 c1cc(c(cc1F)C(=O)O)N LS11464 [0,2,0,0,0,0|0,0,0]=2 546 B11R1.167 c1cc(c(cc1F)C(=O)O)O LS10523 [0,2,0,0,0,0|0,0,0]=2 547 B11R1.167 c1cc(c(cc1F)C(=O)[O-])F LS11165 [0,2,0,0,0,0|0,0,1]=3 548 B11R1.167 c1cc(c(cc1I)[N+](=O)[O-])I LS10074 [0,2,0,0,0,0|1,0,1]=4 549 B11R1.167 c1cc(c(cc1N)C(=O)O)O LS11426 [0,2,0,0,0,0|0,0,0]=2 550 B11R1.167 c1cc(c(cc1O)C(=O)O)F LS10475 [0,2,0,0,0,0|0,0,0]=2 551 B11R1.167 c1cc(c(cc1O)[N+](=O)[O-])F LS10130 [0,2,0,0,0,0|1,0,1]=4 552 B11R1.167 c1cc(c(cc1O)[N+](=O)[O-])N LS10710 [0,2,0,0,0,0|1,0,1]=4 553 B11R1.167 c1cc(nc(c1F)C(=O)O)Cl LS20461 [0,2,0,0,0,0|1,0,0]=3 554 B11R1.74 B(c1cc(cc(c1)Br)Br)(O)O LS10951 [0,2,0,0,0,0|1,0,1]=4 555 B11R1.74 B(c1cc(cc(c1)Br)Cl)(O)O LS10992 [0,2,0,0,0,0|1,0,1]=4 556 B11R1.74 B(c1cc(cc(c1)C)C)(O)O LS10955 [0,2,0,0,0,0|1,0,1]=4 557 B11R1.74 B(c1cc(cc(c1)Cl)Cl)(O)O LS10536 [0,2,0,0,0,0|1,0,1]=4 558 B11R1.74 B(c1cc(cc(c1)Cl)F)(O)O LS11006 [0,2,0,0,0,0|1,0,1]=4 559 B11R1.74 B(c1cc(cc(c1)F)F)(O)O LS10953 [0,2,0,0,0,0|1,0,1]=4 560 B11R1.74 B(c1cc(cc(c1)F)O)(O)O LS11015 [0,2,0,0,0,0|1,0,1]=4 561 B11R1.74 CC(=O)c1cc(cc(c1)F)F LS11171 [0,2,0,0,0,0|1,0,0]=3 562 B11R1.74 Cc1cc(cc(c1)F)[N+](=O)[O-] LS10429 [0,2,0,0,0,0|1,0,1]=4 563 B11R1.74 Cc1cc(cc(c1)N)C(=O)O LS10247 [0,2,0,0,0,0|0,0,0]=2 564 B11R1.74 c1c(cc(cc1Br)I)C(=O)O LS10332 [0,2,0,0,0,0|0,0,0]=2 565 B11R1.74 c1c(cc(cc1F)F)C(=O)O LS11169 [0,2,0,0,0,0|0,0,0]=2 566 B11R1.74 c1c(cc(cc1F)F)C(=O)[O-] LS11170 [0,2,0,0,0,0|0,0,1]=3 567 B11R1.74 c1c(cc(cc1F)F)[N+](=O)[O-] LS10619 [0,2,0,0,0,0|1,0,1]=4 568 B11R1.74 c1c(cc(cc1[N+](=O)[O-])Br)N LS10065 [0,2,0,0,0,0|1,0,1]=4 569 B11R1.74 c1c(cc(cc1[N+](=O)[O-])F)N LS11502 [0,2,0,0,0,0|1,0,1]=4 570 B11R1.266 B(c1cccc(c1)C#N)(O)O LS10832 [0,2,0,0,0,0|1,0,1]=4 571 B11R1.266 B(c1cccc(c1)C=O)(O)O LS00095 [0,2,0,0,0,0|1,0,1]=4 572 B11R1.266 B(c1cccc(c1)CBr)(O)O LS10828 [0,2,0,0,0,0|1,0,1]=4 573 B11R1.266 B(c1cccc(c1)CO)(O)O LS10838 [0,2,0,0,0,0|1,0,1]=4 574 B11R1.266 B(c1cccc(c1)OC)(O)O LS10845 [0,2,0,0,0,0|1,0,1]=4 575 B11R1.266 B(c1cccc(c1)SC)(O)O LS10849 [0,2,0,0,0,0|1,0,1]=4 576 B11R1.266 COc1cccc(c1)C(=O)O LS11528 [0,2,0,0,0,0|0,0,0]=2 577 B11R1.266 c1cc(cc(c1)C(=O)Cl)C#N LS10682 [0,2,0,0,0,0|1,0,0]=3 578 B11R1.266 c1cc(cc(c1)C(=O)Cl)CCl LS10105 [0,2,0,0,0,0|1,0,0]=3 579 B11R1.266 c1cc(cc(c1)[N+](=O)[O-])CO LS11391 [0,2,0,0,0,0|1,0,1]=4 580 B9R1.13 c1cc(oc1)CC(=O)O LS40055 [0,0,1,1,0,0|1,0,1]=4 581 B9R1.13 c1cc(sc1)CC(=O)O LS20649 [0,0,1,1,0,0|1,0,1]=4 582 B11R2.10 CC1=Cc2ccccc2C1 LS00050 [0,0,0,1,0,1|2,0,0]=4 583 B11R2.10 c1ccc2c(c1)CC(=O)O2 LS40288 [0,0,0,1,0,1|0,0,0]=2 584 B11R2.10 c1ccc2c(c1)CC(C2)O LS40651 [0,0,0,1,0,1|1,0,1]=4 585 B11R2.10 c1ccc2c(c1)[nH]c(n2)N LS11771 [0,0,0,1,0,1|2,0,0]=4 586 B11R2.10 c1ccc2c(c1)[nH]c(n2)S LS21164 [0,0,0,1,0,1|1,1,0]=4 587 B11R2.10 c1ccc2c(c1)nc(o2)S LS40249 [0,0,0,1,0,1|0,1,0]=3 588 B11R2.1 c1cc2c(nc1)COC2=O LS41441 [0,1,0,1,0,0|1,0,0]=3 589 B7R1.1 c1c(nc[nH]1)C=O LS20992 [1,0,0,0,1,0|2,0,0]=4 590 B7R1.1 c1c(ncs1)C=O LS21128 [1,0,0,0,1,0|2,0,0]=4 591 B7R1.1 c1cc([nH]c1)C=O LS00119 [1,0,0,0,1,0|1,0,0]=3 592 B7R1.1 c1cc(sc1)C=O LS40350 [1,0,0,0,1,0|1,0,0]=3 593 B7R1.1 c1cc(sc1)CO LS20642 [1,0,0,0,1,0|1,0,1]=4 594 B7R1.1 c1cnc([nH]1)C=O LS20564 [1,0,0,0,1,0|2,0,0]=4 595 B7R1.1 c1csc(n1)C=O LS20580 [1,0,0,0,1,0|2,0,0]=4 596 B7R1.1 c1cscc1C=O LS20646 [1,0,0,0,1,0|1,0,0]=3 597 B11R1.91 B(CCc1ccccc1)(O)O LS10785 [0,0,0,0,0,2|1,0,1]=4 598 B11R1.91 CC(=O)CCc1ccccc1 LS10597 [0,0,0,0,0,2|1,0,0]=3 599 B11R1.91 c1cc(cnc1)\C=C\C(=O)O LS20492 [0,0,0,0,0,2|1,0,0]=3 600 B11R1.91 c1ccc(cc1)COC(=O)N LS40379 [0,0,0,0,0,2|1,0,0]=3 601 B11R1.91 c1ccc(cc1)CSC(=N)N LS11866 [0,0,0,0,0,2|2,0,0]=4 602 B11R1.91 c1ccc(cc1)\C=C\C(=O)O LS00072 [0,0,0,0,0,2|0,0,0]=2