0 B11R1.266 B(=O)c1cccc(c1)C(=O)Cl TS43152 [0,0,0,0,0,0|3,0,0]=3 1 B11R1.266 B(c1cc(cnc1)OC)(O)O TS55471 [0,0,0,0,0,0|2,0,1]=3 2 B11R1.266 B(c1cccc(c1)C#C)(O)O TS88297 [0,0,0,0,0,0|2,0,2]=4 3 B11R1.266 B(c1cccc(c1)C#N)(O)O TS94677 [0,0,0,0,0,0|3,0,1]=4 4 B11R1.266 B(c1cccc(c1)C=C)(O)O TS07401 [0,0,0,0,0,0|2,0,2]=4 5 B11R1.266 B(c1cccc(c1)CBr)(O)O TS65953 [0,0,0,0,0,0|3,0,1]=4 6 B11R1.266 B(c1cccc(c1)CC)(O)O TS70560 [0,0,0,0,0,0|2,0,1]=3 7 B11R1.266 B(c1cccc(c1)CN)(O)O TS08017 [0,0,0,0,0,0|3,0,1]=4 8 B11R1.266 B(c1cccc(c1)CO)(O)O TS65707 [0,0,0,0,0,0|3,0,1]=4 9 B11R1.266 B(c1cccc(c1)OC)(O)O TS02824 [0,0,0,0,0,0|1,0,1]=2 10 B11R1.266 B(c1cccc(c1)SC)(O)O TS65712 [0,0,0,0,0,0|1,1,1]=3 11 B11R1.266 B(c1cccc(n1)OC)(O)O TS55621 [0,0,0,0,0,0|2,0,1]=3 12 B11R1.266 B(c1ccnc(c1)OC)(O)O TS55431 [0,0,0,0,0,0|2,0,1]=3 13 B11R1.266 C#Cc1cccc(c1)C(=O)O TS70561 [0,0,0,0,0,0|1,0,1]=2 14 B11R1.266 C#Cc1cccc(c1)[N+](=O)[O-] TS02869 [0,0,0,0,0,0|2,0,2]=4 15 B11R1.266 C=Cc1cccc(c1)C(=O)O TS07411 [0,0,0,0,0,0|1,0,1]=2 16 B11R1.266 C=Cc1cccc(c1)[N+](=O)[O-] TS40728 [0,0,0,0,0,0|2,0,2]=4 17 B11R1.266 CC(=O)c1cccc(c1)C#C TS40169 [0,0,0,0,0,0|2,0,1]=3 18 B11R1.266 CC(=O)c1cccc(c1)C#N TS65829 [0,0,0,0,0,0|3,0,0]=3 19 B11R1.266 CC(=O)c1cccc(c1)CCl TS12614 [0,0,0,0,0,0|3,0,0]=3 20 B11R1.266 CC(=O)c1cccc(c1)OC TS02817 [0,0,0,0,0,0|1,0,0]=1 21 B11R1.266 CC(=O)c1cccc(n1)C=O TS40719 [0,0,0,0,0,0|4,0,0]=4 22 B11R1.266 CC(=O)c1cccc(n1)OC TS08252 [0,0,0,0,0,0|2,0,0]=2 23 B11R1.266 CC(=O)c1ccnc(n1)SC TS44892 [0,0,0,0,0,0|3,1,0]=4 24 B11R1.266 CC(C)c1cccc(n1)OC TS07961 [0,0,0,0,0,0|3,0,1]=4 25 B11R1.266 CC(c1cccc(c1)OC)O TS41146 [0,0,0,0,0,0|1,0,1]=2 26 B11R1.266 CCc1cc(ccn1)C(=S)N TS12285 [0,0,0,0,0,0|3,1,0]=4 27 B11R1.266 CCc1cccc(c1)C(=O)C TS07747 [0,0,0,0,0,0|2,0,0]=2 28 B11R1.266 CCc1cccc(c1)C(=O)O TS09865 [0,0,0,0,0,0|1,0,0]=1 29 B11R1.266 CCc1cccc(c1)C(=S)N TS12084 [0,0,0,0,0,0|2,1,0]=3 30 B11R1.266 CCc1cccc(c1)C(C)C TS07506 [0,0,0,0,0,0|3,0,1]=4 31 B11R1.266 CCc1cccc(c1)[N+](=O)[O-] TS41018 [0,0,0,0,0,0|2,0,1]=3 32 B11R1.266 CCc1ccnc(c1)C(=O)O TS15879 [0,0,0,0,0,0|2,0,0]=2 33 B11R1.266 CN(C)c1cccc(c1)OC TS10068 [0,0,0,0,0,0|3,0,0]=3 34 B11R1.266 CNc1cccc(c1)C(=O)O TS41001 [0,0,0,0,0,0|1,0,0]=1 35 B11R1.266 CNc1cncc(n1)C(=O)O TS01188 [0,0,0,0,0,0|3,0,0]=3 36 B11R1.266 COc1cc(ccn1)C(=O)N TS41124 [0,0,0,0,0,0|2,0,0]=2 37 B11R1.266 COc1cc(ccn1)C(=O)O TS01107 [0,0,0,0,0,0|1,0,0]=1 38 B11R1.266 COc1cc(cnc1)C(=O)N TS10158 [0,0,0,0,0,0|2,0,0]=2 39 B11R1.266 COc1cc(cnc1)C(=O)O TS41247 [0,0,0,0,0,0|1,0,0]=1 40 B11R1.266 COc1cccc(c1)C(=N)N TS02820 [0,0,0,0,0,0|2,0,0]=2 41 B11R1.266 COc1cccc(c1)C(=O)Cl TS12911 [0,0,0,0,0,0|1,0,0]=1 42 B11R1.266 COc1cccc(c1)C(=O)N TS10027 [0,0,0,0,0,0|1,0,0]=1 43 B11R1.266 COc1cccc(c1)C(=O)O TS10134 [0,0,0,0,0,0|0,0,0]=0 44 B11R1.266 COc1cccc(c1)C(=S)N TS12416 [0,0,0,0,0,0|1,1,0]=2 45 B11R1.266 COc1cccc(c1)[N+](=O)[O-] TS41249 [0,0,0,0,0,0|1,0,1]=2 46 B11R1.266 COc1cccc(n1)C(=O)N TS41105 [0,0,0,0,0,0|2,0,0]=2 47 B11R1.266 COc1cccc(n1)C(=O)O TS55620 [0,0,0,0,0,0|1,0,0]=1 48 B11R1.266 COc1ccnc(c1)C(=O)N TS41108 [0,0,0,0,0,0|2,0,0]=2 49 B11R1.266 COc1ccnc(c1)C(=O)O TS03161 [0,0,0,0,0,0|1,0,0]=1 50 B11R1.266 COc1ccnc(c1)C(=O)O TS50978 [0,0,0,0,0,0|1,0,0]=1 51 B11R1.266 COc1ccnc(n1)C(=N)N TS86870 [0,0,0,0,0,0|4,0,0]=4 52 B11R1.266 CSc1cccc(c1)C(=O)O TS65713 [0,0,0,0,0,0|0,1,0]=1 53 B11R1.266 CSc1cccc(c1)[N+](=O)[O-] TS45013 [0,0,0,0,0,0|1,1,1]=3 54 B11R1.266 CSc1nccc(n1)C(=O)O TS02455 [0,0,0,0,0,0|2,1,0]=3 55 B11R1.266 C[C@@H](c1cccc(c1)OC)N TS08650 [0,0,0,0,0,0|2,0,1]=3 56 B11R1.266 C[C@H](c1cccc(c1)OC)N TS59481 [0,0,0,0,0,0|2,0,1]=3 57 B11R1.266 [C-]#[N+]c1cccc(c1)[N+](=O)[O-] TS40600 [0,0,0,0,0,0|2,0,2]=4 58 B11R1.266 c1c(cncc1C(=O)O)C#N TS32655 [0,0,0,0,0,0|3,0,0]=3 59 B11R1.266 c1cc(cc(c1)C(=N)N)C=O TS02777 [0,0,0,0,0,0|4,0,0]=4 60 B11R1.266 c1cc(cc(c1)C(=N)N)CN TS50062 [0,0,0,0,0,0|4,0,0]=4 61 B11R1.266 c1cc(cc(c1)C(=O)Cl)C#N TS66019 [0,0,0,0,0,0|3,0,0]=3 62 B11R1.266 c1cc(cc(c1)C(=O)Cl)CCl TS09440 [0,0,0,0,0,0|3,0,0]=3 63 B11R1.266 c1cc(cc(c1)C(=O)N)C#N TS07199 [0,0,0,0,0,0|3,0,0]=3 64 B11R1.266 c1cc(cc(c1)C(=O)N)CCl TS02187 [0,0,0,0,0,0|3,0,0]=3 65 B11R1.266 c1cc(cc(c1)C(=O)O)C#N TS01790 [0,0,0,0,0,0|2,0,0]=2 66 B11R1.266 c1cc(cc(c1)C(=O)O)C=O TS02778 [0,0,0,0,0,0|2,0,0]=2 67 B11R1.266 c1cc(cc(c1)C(=O)O)CBr TS09436 [0,0,0,0,0,0|2,0,0]=2 68 B11R1.266 c1cc(cc(c1)C(=O)O)CCl TS09439 [0,0,0,0,0,0|2,0,0]=2 69 B11R1.266 c1cc(cc(c1)C(=O)O)CN TS02659 [0,0,0,0,0,0|2,0,0]=2 70 B11R1.266 c1cc(cc(c1)C(=O)O)CN TS02660 [0,0,0,0,0,0|2,0,0]=2 71 B11R1.266 c1cc(cc(c1)C(=O)O)CO TS65706 [0,0,0,0,0,0|2,0,0]=2 72 B11R1.266 c1cc(cc(c1)N=O)C(=O)N TS40819 [0,0,0,0,0,0|3,0,0]=3 73 B11R1.266 c1cc(cc(c1)NN)C(=O)O TS10146 [0,0,0,0,0,0|2,0,0]=2 74 B11R1.266 c1cc(cc(c1)[N+](=O)[O-])C#N TS39722 [0,0,0,0,0,0|3,0,1]=4 75 B11R1.266 c1cc(cc(c1)[N+](=O)[O-])C=O TS39720 [0,0,0,0,0,0|3,0,1]=4 76 B11R1.266 c1cc(cc(c1)[N+](=O)[O-])CBr TS07759 [0,0,0,0,0,0|3,0,1]=4 77 B11R1.266 c1cc(cc(c1)[N+](=O)[O-])CCl TS60026 [0,0,0,0,0,0|3,0,1]=4 78 B11R1.266 c1cc(cc(c1)[N+](=O)[O-])CN TS41109 [0,0,0,0,0,0|3,0,1]=4 79 B11R1.266 c1cc(cc(c1)[N+](=O)[O-])CN TS50824 [0,0,0,0,0,0|3,0,1]=4 80 B11R1.266 c1cc(cc(c1)[N+](=O)[O-])NN TS50983 [0,0,0,0,0,0|3,0,1]=4 81 B11R1.266 c1cc(nc(c1)C(=O)O)CN TS41110 [0,0,0,0,0,0|3,0,0]=3 82 B11R1.266 c1cnc(cc1C(=O)O)C#N TS40597 [0,0,0,0,0,0|3,0,0]=3 83 B11R1.266 c1cnc(cc1C(=O)O)NN TS88062 [0,0,0,0,0,0|3,0,0]=3 84 B11R1.266 c1cnc(cc1CO)C(=O)N TS41119 [0,0,0,0,0,0|4,0,0]=4 85 B10R1.113 B(c1cc(ccn1)C)(O)O TS03182 [1,0,0,0,0,0|2,0,1]=4 86 B10R1.113 B(c1cccc(c1)Br)(O)O TS65961 [1,0,0,0,0,0|2,0,1]=4 87 B10R1.113 B(c1cccc(c1)C)(O)O TS70670 [1,0,0,0,0,0|1,0,1]=3 88 B10R1.113 B(c1cccc(c1)Cl)(O)O TS02723 [1,0,0,0,0,0|2,0,1]=4 89 B10R1.113 B(c1cccc(c1)I)(O)O TS93559 [1,0,0,0,0,0|2,0,1]=4 90 B10R1.113 B(c1cccc(c1)N)(O)O TS85488 [1,0,0,0,0,0|2,0,1]=4 91 B10R1.113 B(c1cccc(c1)N)(O)O TS94599 [1,0,0,0,0,0|2,0,1]=4 92 B10R1.113 B(c1cccc(c1)N)(O)O TS94634 [1,0,0,0,0,0|2,0,1]=4 93 B10R1.113 B(c1cccc(c1)N)(O)O TS94676 [1,0,0,0,0,0|2,0,1]=4 94 B10R1.113 B(c1cccc(c1)O)(O)O TS02793 [1,0,0,0,0,0|1,0,1]=3 95 B10R1.113 B(c1cccc(c1)S)(O)O TS41329 [1,0,0,0,0,0|1,1,1]=4 96 B10R1.113 B(c1cccc(n1)C)(O)O TS01271 [1,0,0,0,0,0|2,0,1]=4 97 B10R1.113 B(c1ccnc(c1)C)(O)O TS02447 [1,0,0,0,0,0|2,0,1]=4 98 B10R1.113 B(c1ccnc(c1)C)(O)O TS45686 [1,0,0,0,0,0|2,0,1]=4 99 B10R1.113 CC(=O)c1cc(cnc1)Br TS08180 [1,0,0,0,0,0|3,0,0]=4 100 B10R1.113 CC(=O)c1cc(cnc1)F TS37264 [1,0,0,0,0,0|3,0,0]=4 101 B10R1.113 CC(=O)c1ccc[n+](c1)[O-] TS06167 [1,0,0,0,0,0|2,0,1]=4 102 B10R1.113 CC(=O)c1cccc(c1)Br TS09476 [1,0,0,0,0,0|2,0,0]=3 103 B10R1.113 CC(=O)c1cccc(c1)Cl TS41457 [1,0,0,0,0,0|2,0,0]=3 104 B10R1.113 CC(=O)c1cccc(c1)F TS39433 [1,0,0,0,0,0|2,0,0]=3 105 B10R1.113 CC(=O)c1cccc(c1)I TS02811 [1,0,0,0,0,0|2,0,0]=3 106 B10R1.113 CC(=O)c1cccc(c1)N TS36932 [1,0,0,0,0,0|2,0,0]=3 107 B10R1.113 CC(=O)c1cccc(c1)O TS70618 [1,0,0,0,0,0|1,0,0]=2 108 B10R1.113 CC(=O)c1cccc(n1)Br TS08250 [1,0,0,0,0,0|3,0,0]=4 109 B10R1.113 CC(=O)c1cccc(n1)Cl TS46739 [1,0,0,0,0,0|3,0,0]=4 110 B10R1.113 CC(=O)c1ccnc(c1)Cl TS08148 [1,0,0,0,0,0|3,0,0]=4 111 B10R1.113 CC(C)c1cccc(c1)O TS06076 [1,0,0,0,0,0|2,0,1]=4 112 B10R1.113 CC(c1cccc(c1)Br)O TS38052 [1,0,0,0,0,0|2,0,1]=4 113 B10R1.113 CC(c1cccc(c1)Cl)O TS41713 [1,0,0,0,0,0|2,0,1]=4 114 B10R1.113 CC(c1cccc(c1)F)O TS37373 [1,0,0,0,0,0|2,0,1]=4 115 B10R1.113 CC(c1cccc(c1)N)O TS37125 [1,0,0,0,0,0|2,0,1]=4 116 B10R1.113 CN(C)c1cccc(c1)O TS06190 [1,0,0,0,0,0|3,0,0]=4 117 B10R1.113 CN1CC(=CC=C1)C(=O)N TS68775 [1,0,0,0,0,0|2,0,1]=4 118 B10R1.113 C[C@@H](c1cccc(c1)Br)O TS38053 [1,0,0,0,0,0|2,0,1]=4 119 B10R1.113 C[C@H](c1cccc(c1)Br)O TS38040 [1,0,0,0,0,0|2,0,1]=4 120 B10R1.113 C[n+]1cccc(c1)C(=O)N TS45572 [1,0,0,0,0,0|2,0,0]=3 121 B10R1.113 Cc1cc(ccn1)C(=O)C TS01801 [1,0,0,0,0,0|2,0,0]=3 122 B10R1.113 Cc1cc(ccn1)C(=O)O TS37098 [1,0,0,0,0,0|1,0,0]=2 123 B10R1.113 Cc1cc(ccn1)[N+](=O)[O-] TS55417 [1,0,0,0,0,0|2,0,1]=4 124 B10R1.113 Cc1cc(cnc1)C(=O)N TS06051 [1,0,0,0,0,0|2,0,0]=3 125 B10R1.113 Cc1cc(cnc1)C(=O)O TS01159 [1,0,0,0,0,0|1,0,0]=2 126 B10R1.113 Cc1cc(cnc1)C(=O)O TS13412 [1,0,0,0,0,0|1,0,0]=2 127 B10R1.113 Cc1cc(cnc1)[N+](=O)[O-] TS02835 [1,0,0,0,0,0|2,0,1]=4 128 B10R1.113 Cc1cc(ncn1)C(=O)O TS88119 [1,0,0,0,0,0|2,0,0]=3 129 B10R1.113 Cc1cccc(c1)C(=N)N TS12936 [1,0,0,0,0,0|2,0,0]=3 130 B10R1.113 Cc1cccc(c1)C(=O)C TS01793 [1,0,0,0,0,0|1,0,0]=2 131 B10R1.113 Cc1cccc(c1)C(=O)Cl TS60022 [1,0,0,0,0,0|1,0,0]=2 132 B10R1.113 Cc1cccc(c1)C(=O)N TS36933 [1,0,0,0,0,0|1,0,0]=2 133 B10R1.113 Cc1cccc(c1)C(=O)O TS36985 [1,0,0,0,0,0|0,0,0]=1 134 B10R1.113 Cc1cccc(c1)C(=S)N TS41054 [1,0,0,0,0,0|1,1,0]=3 135 B10R1.113 Cc1cccc(c1)C(C)O TS37016 [1,0,0,0,0,0|1,0,1]=3 136 B10R1.113 Cc1cccc(c1)N(C)C TS36944 [1,0,0,0,0,0|3,0,0]=4 137 B10R1.113 Cc1cccc(c1)N(C)N TS37033 [1,0,0,0,0,0|3,0,0]=4 138 B10R1.113 Cc1cccc(c1)[C@@H](C)N TS45396 [1,0,0,0,0,0|2,0,1]=4 139 B10R1.113 Cc1cccc(c1)[C@H](C)N TS45397 [1,0,0,0,0,0|2,0,1]=4 140 B10R1.113 Cc1cccc(c1)[N+](=O)[O-] TS37092 [1,0,0,0,0,0|1,0,1]=3 141 B10R1.113 Cc1cccc(n1)C(=O)C TS08253 [1,0,0,0,0,0|2,0,0]=3 142 B10R1.113 Cc1cccc(n1)[N+](=O)[O-] TS55467 [1,0,0,0,0,0|2,0,1]=4 143 B10R1.113 Cc1ccnc(c1)C(=O)C TS32774 [1,0,0,0,0,0|2,0,0]=3 144 B10R1.113 Cc1ccnc(c1)C(=O)O TS37096 [1,0,0,0,0,0|1,0,0]=2 145 B10R1.113 Cc1ccnc(c1)[N+](=O)[O-] TS71230 [1,0,0,0,0,0|2,0,1]=4 146 B10R1.113 Cc1ccnc(n1)C(=O)O TS90875 [1,0,0,0,0,0|2,0,0]=3 147 B10R1.113 Cc1nccc(n1)C(=O)O TS02451 [1,0,0,0,0,0|2,0,0]=3 148 B10R1.113 c1c(cn[nH]c1=O)C(=O)O TS06410 [1,0,0,0,0,0|2,0,1]=4 149 B10R1.113 c1c(cncc1Br)C(=O)Cl TS49867 [1,0,0,0,0,0|3,0,0]=4 150 B10R1.113 c1c(cncc1Br)C(=O)N TS60080 [1,0,0,0,0,0|3,0,0]=4 151 B10R1.113 c1c(cncc1Br)C(=O)O TS09808 [1,0,0,0,0,0|2,0,0]=3 152 B10R1.113 c1c(cncc1Cl)C(=O)O TS03271 [1,0,0,0,0,0|2,0,0]=3 153 B10R1.113 c1c(cncc1F)C(=O)O TS03323 [1,0,0,0,0,0|2,0,0]=3 154 B10R1.113 c1c(cncc1N)C(=O)N TS03231 [1,0,0,0,0,0|3,0,0]=4 155 B10R1.113 c1c(cncc1N)C(=O)O TS71381 [1,0,0,0,0,0|2,0,0]=3 156 B10R1.113 c1c(cncc1O)C(=O)O TS30275 [1,0,0,0,0,0|1,0,0]=2 157 B10R1.113 c1c(cncc1O)C(=O)O TS85371 [1,0,0,0,0,0|1,0,0]=2 158 B10R1.113 c1c(cncc1O)[N+](=O)[O-] TS06415 [1,0,0,0,0,0|2,0,1]=4 159 B10R1.113 c1c(cnnc1Cl)C(=O)O TS90511 [1,0,0,0,0,0|3,0,0]=4 160 B10R1.113 c1c(nc(cn1)Cl)C(=O)O TS55584 [1,0,0,0,0,0|3,0,0]=4 161 B10R1.113 c1c(ncnc1O)C(=O)O TS01241 [1,0,0,0,0,0|2,0,0]=3 162 B10R1.113 c1cc(cc(c1)Br)C(=N)N TS09478 [1,0,0,0,0,0|3,0,0]=4 163 B10R1.113 c1cc(cc(c1)Br)C(=N)N TS54155 [1,0,0,0,0,0|3,0,0]=4 164 B10R1.113 c1cc(cc(c1)Br)C(=O)Cl TS56222 [1,0,0,0,0,0|2,0,0]=3 165 B10R1.113 c1cc(cc(c1)Br)C(=O)N TS18933 [1,0,0,0,0,0|2,0,0]=3 166 B10R1.113 c1cc(cc(c1)Br)C(=O)O TS19140 [1,0,0,0,0,0|1,0,0]=2 167 B10R1.113 c1cc(cc(c1)Br)C(=S)N TS21980 [1,0,0,0,0,0|2,1,0]=4 168 B10R1.113 c1cc(cc(c1)Br)[N+](=O)[O-] TS16330 [1,0,0,0,0,0|2,0,1]=4 169 B10R1.113 c1cc(cc(c1)Cl)C(=N)N TS41463 [1,0,0,0,0,0|3,0,0]=4 170 B10R1.113 c1cc(cc(c1)Cl)C(=N)N TS51244 [1,0,0,0,0,0|3,0,0]=4 171 B10R1.113 c1cc(cc(c1)Cl)C(=O)Cl TS13612 [1,0,0,0,0,0|2,0,0]=3 172 B10R1.113 c1cc(cc(c1)Cl)C(=O)N TS10611 [1,0,0,0,0,0|2,0,0]=3 173 B10R1.113 c1cc(cc(c1)Cl)C(=O)O TS02028 [1,0,0,0,0,0|1,0,0]=2 174 B10R1.113 c1cc(cc(c1)Cl)C(=S)N TS45392 [1,0,0,0,0,0|2,1,0]=4 175 B10R1.113 c1cc(cc(c1)Cl)[N+](=O)[O-] TS41831 [1,0,0,0,0,0|2,0,1]=4 176 B10R1.113 c1cc(cc(c1)F)C(=N)N TS13606 [1,0,0,0,0,0|3,0,0]=4 177 B10R1.113 c1cc(cc(c1)F)C(=N)N TS37176 [1,0,0,0,0,0|3,0,0]=4 178 B10R1.113 c1cc(cc(c1)F)C(=O)Cl TS11079 [1,0,0,0,0,0|2,0,0]=3 179 B10R1.113 c1cc(cc(c1)F)C(=O)N TS37271 [1,0,0,0,0,0|2,0,0]=3 180 B10R1.113 c1cc(cc(c1)F)C(=O)O TS06420 [1,0,0,0,0,0|1,0,0]=2 181 B10R1.113 c1cc(cc(c1)F)C(=O)[O-] TS11490 [1,0,0,0,0,0|1,0,1]=3 182 B10R1.113 c1cc(cc(c1)F)C(=S)N TS41514 [1,0,0,0,0,0|2,1,0]=4 183 B10R1.113 c1cc(cc(c1)I)C(=O)Cl TS39446 [1,0,0,0,0,0|2,0,0]=3 184 B10R1.113 c1cc(cc(c1)I)C(=O)N TS62384 [1,0,0,0,0,0|2,0,0]=3 185 B10R1.113 c1cc(cc(c1)I)C(=O)O TS70626 [1,0,0,0,0,0|1,0,0]=2 186 B10R1.113 c1cc(cc(c1)I)C(=S)N TS29885 [1,0,0,0,0,0|2,1,0]=4 187 B10R1.113 c1cc(cc(c1)I)[N+](=O)[O-] TS27853 [1,0,0,0,0,0|2,0,1]=4 188 B10R1.113 c1cc(cc(c1)N)C(=N)N TS20481 [1,0,0,0,0,0|3,0,0]=4 189 B10R1.113 c1cc(cc(c1)N)C(=O)N TS60003 [1,0,0,0,0,0|2,0,0]=3 190 B10R1.113 c1cc(cc(c1)N)C(=O)O TS13414 [1,0,0,0,0,0|1,0,0]=2 191 B10R1.113 c1cc(cc(c1)N)C(=O)O TS37103 [1,0,0,0,0,0|1,0,0]=2 192 B10R1.113 c1cc(cc(c1)N)C(=O)[O-] TS11098 [1,0,0,0,0,0|1,0,1]=3 193 B10R1.113 c1cc(cc(c1)N)C(=S)N TS41179 [1,0,0,0,0,0|2,1,0]=4 194 B10R1.113 c1cc(cc(c1)O)C(=O)N TS70620 [1,0,0,0,0,0|1,0,0]=2 195 B10R1.113 c1cc(cc(c1)O)C(=O)O TS06229 [1,0,0,0,0,0|0,0,0]=1 196 B10R1.113 c1cc(cc(c1)O)C(=O)[O-] TS42112 [1,0,0,0,0,0|0,0,1]=2 197 B10R1.113 c1cc(cc(c1)O)C(=S)N TS10338 [1,0,0,0,0,0|1,1,0]=3 198 B10R1.113 c1cc(cc(c1)O)[N+](=O)[O-] TS01569 [1,0,0,0,0,0|1,0,1]=3 199 B10R1.113 c1cc(cc(c1)S)C(=O)O TS41386 [1,0,0,0,0,0|0,1,0]=2 200 B10R1.113 c1cc(cc(c1)[N+](=O)[O-])N TS02863 [1,0,0,0,0,0|2,0,1]=4 201 B10R1.113 c1cc(cn(=O)c1)C(=O)N TS37161 [1,0,0,0,0,0|2,0,1]=4 202 B10R1.113 c1cc(cn(=O)c1)C(=O)O TS06349 [1,0,0,0,0,0|1,0,1]=3 203 B10R1.113 c1cc(nc(c1)Br)C(=O)N TS19141 [1,0,0,0,0,0|3,0,0]=4 204 B10R1.113 c1cc(nc(c1)Br)C(=O)O TS16477 [1,0,0,0,0,0|2,0,0]=3 205 B10R1.113 c1cc(nc(c1)Cl)C(=O)O TS55587 [1,0,0,0,0,0|2,0,0]=3 206 B10R1.113 c1cc(nc(c1)F)C(=O)O TS01235 [1,0,0,0,0,0|2,0,0]=3 207 B10R1.113 c1cc(nc(c1)I)C(=O)N TS62507 [1,0,0,0,0,0|3,0,0]=4 208 B10R1.113 c1cc(nc(c1)I)C(=O)O TS27851 [1,0,0,0,0,0|2,0,0]=3 209 B10R1.113 c1cc(nc(c1)N)C(=O)O TS01213 [1,0,0,0,0,0|2,0,0]=3 210 B10R1.113 c1cc(nc(c1)O)C(=O)O TS01240 [1,0,0,0,0,0|1,0,0]=2 211 B10R1.113 c1cc(oc(=O)c1)C(=O)O TS06409 [1,0,0,0,0,0|1,0,1]=3 212 B10R1.113 c1cnc(=O)[nH]c1C(=O)O TS06412 [1,0,0,0,0,0|2,0,1]=4 213 B10R1.113 c1cnc(cc1Br)C(=O)N TS19142 [1,0,0,0,0,0|3,0,0]=4 214 B10R1.113 c1cnc(cc1Br)C(=O)O TS09612 [1,0,0,0,0,0|2,0,0]=3 215 B10R1.113 c1cnc(cc1C(=O)Cl)Cl TS46031 [1,0,0,0,0,0|3,0,0]=4 216 B10R1.113 c1cnc(cc1C(=O)N)Br TS00863 [1,0,0,0,0,0|3,0,0]=4 217 B10R1.113 c1cnc(cc1C(=O)N)Cl TS07940 [1,0,0,0,0,0|3,0,0]=4 218 B10R1.113 c1cnc(cc1C(=O)N)N TS06173 [1,0,0,0,0,0|3,0,0]=4 219 B10R1.113 c1cnc(cc1C(=O)O)Br TS55109 [1,0,0,0,0,0|2,0,0]=3 220 B10R1.113 c1cnc(cc1C(=O)O)Cl TS85374 [1,0,0,0,0,0|2,0,0]=3 221 B10R1.113 c1cnc(cc1C(=O)O)F TS01028 [1,0,0,0,0,0|2,0,0]=3 222 B10R1.113 c1cnc(cc1C(=O)O)I TS07726 [1,0,0,0,0,0|2,0,0]=3 223 B10R1.113 c1cnc(cc1C(=O)O)N TS47473 [1,0,0,0,0,0|2,0,0]=3 224 B10R1.113 c1cnc(cc1C(=O)O)O TS06352 [1,0,0,0,0,0|1,0,0]=2 225 B10R1.113 c1cnc(cc1Cl)C(=O)Cl TS09691 [1,0,0,0,0,0|3,0,0]=4 226 B10R1.113 c1cnc(cc1Cl)C(=O)N TS09686 [1,0,0,0,0,0|3,0,0]=4 227 B10R1.113 c1cnc(cc1Cl)C(=O)O TS09687 [1,0,0,0,0,0|2,0,0]=3 228 B10R1.113 c1cnc(cc1F)C(=O)O TS09128 [1,0,0,0,0,0|2,0,0]=3 229 B10R1.113 c1cnc(cc1I)C(=O)O TS88205 [1,0,0,0,0,0|2,0,0]=3 230 B10R1.113 c1cnc(cc1N)C(=O)O TS88808 [1,0,0,0,0,0|2,0,0]=3 231 B10R1.113 c1cnc(cc1O)C(=O)O TS03133 [1,0,0,0,0,0|1,0,0]=2 232 B10R1.113 c1cnc(cc1O)[N+](=O)[O-] TS06411 [1,0,0,0,0,0|2,0,1]=4 233 B10R1.113 c1cnc(cc1[N+](=O)[O-])O TS06413 [1,0,0,0,0,0|2,0,1]=4 234 B10R1.113 c1cnc(nc1C(=O)O)Cl TS00961 [1,0,0,0,0,0|3,0,0]=4 235 B10R1.113 c1coc(cc1=O)C(=O)O TS37334 [1,0,0,0,0,0|1,0,1]=3 236 B10R1.172 C=Cc1cccc(c1)C=C TS36517 [1,0,0,0,0,0|2,0,1]=4 237 B10R1.172 C=Cc1cccc(c1)C=O TS05736 [1,0,0,0,0,0|1,0,1]=3 238 B10R1.172 CCc1cccc(c1)C#N TS00148 [1,0,0,0,0,0|2,0,1]=4 239 B10R1.172 CCc1cccc(c1)C=O TS36830 [1,0,0,0,0,0|1,0,0]=2 240 B10R1.172 CCc1cccc(c1)NN TS13273 [1,0,0,0,0,0|3,0,0]=4 241 B10R1.172 CCc1cccc(n1)CO TS46566 [1,0,0,0,0,0|2,0,1]=4 242 B10R1.172 CNc1cccc(c1)OC TS37104 [1,0,0,0,0,0|2,0,0]=3 243 B10R1.172 CNc1cccc(n1)OC TS37198 [1,0,0,0,0,0|3,0,0]=4 244 B10R1.172 COc1cc(ccn1)C#N TS36820 [1,0,0,0,0,0|2,0,1]=4 245 B10R1.172 COc1cc(ccn1)C=O TS55432 [1,0,0,0,0,0|1,0,0]=2 246 B10R1.172 COc1cc(ccn1)CN TS86154 [1,0,0,0,0,0|2,0,1]=4 247 B10R1.172 COc1cc(ccn1)CO TS86056 [1,0,0,0,0,0|1,0,1]=3 248 B10R1.172 COc1cc(cnc1)C=O TS37089 [1,0,0,0,0,0|1,0,0]=2 249 B10R1.172 COc1cc(cnc1)CN TS92215 [1,0,0,0,0,0|2,0,1]=4 250 B10R1.172 COc1cc(cnc1)CO TS86006 [1,0,0,0,0,0|1,0,1]=3 251 B10R1.172 COc1cc(cnc1)OC TS02599 [1,0,0,0,0,0|3,0,0]=4 252 B10R1.172 COc1cccc(c1)C#C TS36666 [1,0,0,0,0,0|1,0,1]=3 253 B10R1.172 COc1cccc(c1)C#N TS39448 [1,0,0,0,0,0|1,0,1]=3 254 B10R1.172 COc1cccc(c1)C=O TS02819 [1,0,0,0,0,0|0,0,0]=1 255 B10R1.172 COc1cccc(c1)CBr TS38037 [1,0,0,0,0,0|1,0,1]=3 256 B10R1.172 COc1cccc(c1)CCl TS39449 [1,0,0,0,0,0|1,0,1]=3 257 B10R1.172 COc1cccc(c1)CN TS60017 [1,0,0,0,0,0|1,0,1]=3 258 B10R1.172 COc1cccc(c1)CO TS39311 [1,0,0,0,0,0|0,0,1]=2 259 B10R1.172 COc1cccc(c1)C[Zn+] TS50042 [1,0,0,0,0,0|1,0,1]=3 260 B10R1.172 COc1cccc(c1)NN TS02825 [1,0,0,0,0,0|2,0,0]=3 261 B10R1.172 COc1cccc(c1)OC TS46804 [1,0,0,0,0,0|2,0,0]=3 262 B10R1.172 COc1cccc(c1)SC TS41406 [1,0,0,0,0,0|2,0,0]=3 263 B10R1.172 COc1cccc(c1)[Mg]Br TS44049 [1,0,0,0,0,0|2,0,0]=3 264 B10R1.172 COc1cccc(n1)C#N TS36815 [1,0,0,0,0,0|2,0,1]=4 265 B10R1.172 COc1cccc(n1)C=O TS01259 [1,0,0,0,0,0|1,0,0]=2 266 B10R1.172 COc1cccc(n1)CN TS46568 [1,0,0,0,0,0|2,0,1]=4 267 B10R1.172 COc1cccc(n1)CO TS06371 [1,0,0,0,0,0|1,0,1]=3 268 B10R1.172 COc1cccc(n1)OC TS65016 [1,0,0,0,0,0|3,0,0]=4 269 B10R1.172 COc1ccnc(c1)CO TS46547 [1,0,0,0,0,0|1,0,1]=3 270 B10R1.172 COc1ccnc(c1)OC TS06363 [1,0,0,0,0,0|3,0,0]=4 271 B10R1.172 COc1nccc(n1)CO TS89082 [1,0,0,0,0,0|2,0,1]=4 272 B10R1.172 CSc1nccc(n1)C=O TS02454 [1,0,0,0,0,0|2,1,0]=4 273 B10R1.172 c1c(cncc1C#N)C=O TS39352 [1,0,0,0,0,0|3,0,0]=4 274 B10R1.172 c1c(cncc1C=O)C=O TS05971 [1,0,0,0,0,0|3,0,0]=4 275 B10R1.172 c1c(cncc1C=O)CN TS06067 [1,0,0,0,0,0|3,0,0]=4 276 B10R1.172 c1cc(cc(c1)C#N)C=O TS66017 [1,0,0,0,0,0|2,0,0]=3 277 B10R1.172 c1cc(cc(c1)C=O)C=O TS59648 [1,0,0,0,0,0|2,0,0]=3 278 B10R1.172 c1cc(cc(c1)C=O)CBr TS65062 [1,0,0,0,0,0|2,0,0]=3 279 B10R1.172 c1cc(cc(c1)CBr)CO TS38049 [1,0,0,0,0,0|2,0,1]=4 280 B10R1.172 c1cc(cc(c1)CO)CO TS06249 [1,0,0,0,0,0|2,0,1]=4 281 B10R1.172 c1cc(nc(c1)C=O)C=O TS05969 [1,0,0,0,0,0|3,0,0]=4 282 B10R1.172 c1cc(nc(c1)C=O)CF TS37266 [1,0,0,0,0,0|3,0,0]=4 283 B10R1.172 c1cnc(cc1C=O)C#N TS00974 [1,0,0,0,0,0|3,0,0]=4 284 B10R1.172 c1cnc(cc1C=O)CN TS06057 [1,0,0,0,0,0|3,0,0]=4 285 B12R1.11 B(c1cc(cc(c1)Br)OC)(O)O TS24996 [0,1,0,0,0,0|1,0,1]=3 286 B12R1.11 B(c1cc(cc(c1)Cl)OC)(O)O TS48978 [0,1,0,0,0,0|1,0,1]=3 287 B12R1.11 B(c1cc(cc(c1)F)OC)(O)O TS70585 [0,1,0,0,0,0|1,0,1]=3 288 B12R1.11 COc1cc(cc(c1)Br)[N+](=O)[O-] TS53255 [0,1,0,0,0,0|1,0,1]=3 289 B12R1.11 COc1cc(cc(c1)Cl)C(=O)O TS15717 [0,1,0,0,0,0|0,0,0]=1 290 B12R1.11 COc1cc(cc(c1)N)C(=O)O TS12375 [0,1,0,0,0,0|0,0,0]=1 291 B12R1.11 COc1cc(cc(c1)[N+](=O)[O-])N TS12494 [0,1,0,0,0,0|1,0,1]=3 292 B12R1.11 COc1cc(cc(n1)Cl)C(=O)Cl TS02143 [0,1,0,0,0,0|2,0,0]=3 293 B12R1.11 COc1cc(cc(n1)Cl)C(=O)N TS15724 [0,1,0,0,0,0|2,0,0]=3 294 B12R1.11 COc1cc(cc(n1)Cl)C(=O)O TS55269 [0,1,0,0,0,0|1,0,0]=2 295 B12R1.11 Cc1cc(cc(c1)C(=O)O)C#N TS11384 [0,1,0,0,0,0|2,0,0]=3 296 B12R1.56 B(c1ccc(c(c1)OC)C)(O)O TS46468 [0,1,0,0,0,0|1,0,1]=3 297 B12R1.56 B(c1ccc(c(c1)OC)Cl)(O)O TS85493 [0,1,0,0,0,0|1,0,1]=3 298 B12R1.56 B(c1ccc(c(c1)OC)F)(O)O TS07663 [0,1,0,0,0,0|1,0,1]=3 299 B12R1.56 CC(=O)c1ccc(c(c1)C#N)O TS42285 [0,1,0,0,0,0|3,0,0]=4 300 B12R1.56 CC(=O)c1ccc(c(c1)CCl)O TS08973 [0,1,0,0,0,0|3,0,0]=4 301 B12R1.56 CC(=O)c1ccc(c(c1)OC)F TS71117 [0,1,0,0,0,0|1,0,0]=2 302 B12R1.56 CC(=O)c1ccc(c(c1)OC)N TS12019 [0,1,0,0,0,0|1,0,0]=2 303 B12R1.56 CC(=O)c1ccc(c(c1)OC)O TS55714 [0,1,0,0,0,0|1,0,0]=2 304 B12R1.56 CC(c1ccc(c(c1)OC)O)O TS44860 [0,1,0,0,0,0|1,0,1]=3 305 B12R1.56 CCc1cc(ccc1F)C(=O)O TS44846 [0,1,0,0,0,0|1,0,0]=2 306 B12R1.56 COc1cc(ccc1Br)C(=O)O TS09583 [0,1,0,0,0,0|0,0,0]=1 307 B12R1.56 COc1cc(ccc1Br)[N+](=O)[O-] TS55131 [0,1,0,0,0,0|1,0,1]=3 308 B12R1.56 COc1cc(ccc1Cl)C(=O)O TS09643 [0,1,0,0,0,0|0,0,0]=1 309 B12R1.56 COc1cc(ccc1Cl)[N+](=O)[O-] TS00919 [0,1,0,0,0,0|1,0,1]=3 310 B12R1.56 COc1cc(ccc1F)C(=O)O TS02814 [0,1,0,0,0,0|0,0,0]=1 311 B12R1.56 COc1cc(ccc1F)N(=O)=O TS01012 [0,1,0,0,0,0|1,0,1]=3 312 B12R1.56 COc1cc(ccc1I)[N+](=O)[O-] TS09307 [0,1,0,0,0,0|1,0,1]=3 313 B12R1.56 COc1cc(ccc1N)C(=O)O TS70888 [0,1,0,0,0,0|0,0,0]=1 314 B12R1.56 COc1cc(ccc1N)[N+](=O)[O-] TS09310 [0,1,0,0,0,0|1,0,1]=3 315 B12R1.56 COc1cc(ccc1O)C(=O)O TS03113 [0,1,0,0,0,0|0,0,0]=1 316 B12R1.56 COc1cc(ccc1O)C(=O)[O-] TS17014 [0,1,0,0,0,0|0,0,1]=2 317 B12R1.56 COc1cc(ccc1O)[N+](=O)[O-] TS01094 [0,1,0,0,0,0|1,0,1]=3 318 B12R1.56 COc1cc(ccc1O)[N+](=O)[O-] TS17237 [0,1,0,0,0,0|1,0,1]=3 319 B12R1.56 COc1cc(cnc1Cl)[N+](=O)[O-] TS16073 [0,1,0,0,0,0|2,0,1]=4 320 B12R1.56 COc1cc(cnc1O)[N+](=O)[O-] TS65096 [0,1,0,0,0,0|2,0,1]=4 321 B12R1.56 C[C@@H](c1ccc(c(c1)OC)F)N TS12686 [0,1,0,0,0,0|2,0,1]=4 322 B12R1.56 Cc1ccc(cc1OC)C(=O)N TS12003 [0,1,0,0,0,0|1,0,0]=2 323 B12R1.56 Cc1ccc(cc1OC)C(=O)O TS65093 [0,1,0,0,0,0|0,0,0]=1 324 B12R1.56 Cc1ccc(cc1OC)[N+](=O)[O-] TS39679 [0,1,0,0,0,0|1,0,1]=3 325 B12R1.56 c1cc(c(cc1C(=O)N)C=O)F TS65136 [0,1,0,0,0,0|3,0,0]=4 326 B12R1.56 c1cc(c(cc1C(=O)O)C#N)F TS09362 [0,1,0,0,0,0|2,0,0]=3 327 B12R1.56 c1cc(c(cc1C(=O)O)C=O)F TS12470 [0,1,0,0,0,0|2,0,0]=3 328 B12R1.56 c1cc(c(cc1C(=O)O)C=O)O TS12140 [0,1,0,0,0,0|2,0,0]=3 329 B12R1.258 B(c1cc(cnc1)C(=O)O)(O)O TS43177 [0,1,0,0,0,0|3,0,0]=4 330 B12R1.258 B(c1cccc(c1)C(=O)C)(O)O TS65830 [0,1,0,0,0,0|2,0,1]=4 331 B12R1.258 B(c1cccc(c1)C(=O)N)(O)O TS46444 [0,1,0,0,0,0|3,0,0]=4 332 B12R1.258 B(c1cccc(c1)C(=O)O)(O)O TS08023 [0,1,0,0,0,0|2,0,0]=3 333 B12R1.258 B(c1cccc(c1)C(C)C)(O)O TS70639 [0,1,0,0,0,0|2,0,1]=4 334 B12R1.258 B(c1cccc(c1)N(C)C)(O)O TS65715 [0,1,0,0,0,0|2,0,1]=4 335 B12R1.258 B(c1cccc(c1)S(=O)C)(O)O TS48515 [0,1,0,0,0,0|1,1,1]=4 336 B12R1.258 CC(=C)c1cccc(c1)C(=C)C TS41949 [0,1,0,0,0,0|3,0,0]=4 337 B12R1.258 CC(=O)c1cccc(c1)C(=O)C TS42434 [0,1,0,0,0,0|2,0,0]=3 338 B12R1.258 CC(=O)c1cccc(c1)C(=O)O TS42699 [0,1,0,0,0,0|1,0,0]=2 339 B12R1.258 CC(=O)c1cccc(c1)N(C)C TS11719 [0,1,0,0,0,0|2,0,0]=3 340 B12R1.258 CC(=O)c1cccc(c1)[N+](=O)[O-] TS11990 [0,1,0,0,0,0|2,0,1]=4 341 B12R1.258 CC(=O)c1cccc(n1)C(=O)C TS00683 [0,1,0,0,0,0|3,0,0]=4 342 B12R1.258 CC(=O)c1cccc(n1)C(=O)O TS11987 [0,1,0,0,0,0|2,0,0]=3 343 B12R1.258 CC(C)c1cc(ccn1)C(=O)N TS42776 [0,1,0,0,0,0|3,0,0]=4 344 B12R1.258 CC(C)c1cccc(c1)[N+](=O)[O-] TS42897 [0,1,0,0,0,0|2,0,1]=4 345 B12R1.258 CC(C)c1cccc(n1)C(=O)O TS85842 [0,1,0,0,0,0|2,0,0]=3 346 B12R1.258 CC(c1cccc(c1)[N+](=O)[O-])N TS12216 [0,1,0,0,0,0|2,0,1]=4 347 B12R1.258 CC(c1cccc(c1)[N+](=O)[O-])O TS43210 [0,1,0,0,0,0|2,0,1]=4 348 B12R1.258 CN(C)c1cccc(c1)C(=O)N TS42775 [0,1,0,0,0,0|2,0,0]=3 349 B12R1.258 CN(C)c1cccc(c1)C(=O)O TS02739 [0,1,0,0,0,0|1,0,0]=2 350 B12R1.258 CN(C)c1cccc(c1)N(=O)=O TS12223 [0,1,0,0,0,0|2,0,1]=4 351 B12R1.258 C[C@@H](c1cccc(c1)N(=O)=O)N TS38355 [0,1,0,0,0,0|2,0,1]=4 352 B12R1.258 C[C@H](c1cccc(c1)N(=O)=O)N TS33126 [0,1,0,0,0,0|2,0,1]=4 353 B12R1.258 c1c(cncc1C(=O)O)C(=O)O TS12346 [0,1,0,0,0,0|3,0,0]=4 354 B12R1.258 c1c(cncc1[N+](=O)[O-])C(=O)O TS01169 [0,1,0,0,0,0|3,0,0]=4 355 B12R1.258 c1cc(cc(c1)C(=O)Cl)C(=O)Cl TS38370 [0,1,0,0,0,0|3,0,0]=4 356 B12R1.258 c1cc(cc(c1)C(=O)Cl)C(Cl)Cl TS50368 [0,1,0,0,0,0|3,0,0]=4 357 B12R1.258 c1cc(cc(c1)C(=O)N)C(=O)N TS11832 [0,1,0,0,0,0|3,0,0]=4 358 B12R1.258 c1cc(cc(c1)C(=O)O)C(=O)O TS12133 [0,1,0,0,0,0|2,0,0]=3 359 B12R1.258 c1cc(cc(c1)[N+](=O)[O-])C(=O)N TS12146 [0,1,0,0,0,0|3,0,0]=4 360 B12R1.258 c1cc(cc(c1)[N+](=O)[O-])C(=O)O TS39721 [0,1,0,0,0,0|2,0,0]=3 361 B12R1.258 c1cc(cc(c1)[N+](=O)[O-])C(=O)[O-] TS50860 [0,1,0,0,0,0|2,0,1]=4 362 B12R1.258 c1cc(nc(c1)C(=O)O)C(=O)O TS00712 [0,1,0,0,0,0|3,0,0]=4 363 B12R1.258 c1cc(nc(c1)[N+](=O)[O-])C(=O)O TS55631 [0,1,0,0,0,0|3,0,0]=4 364 B12R1.258 c1cnc(cc1C(=O)O)[N+](=O)[O-] TS12462 [0,1,0,0,0,0|3,0,0]=4 365 B12R1.258 c1cnc(cc1C(=O)O)[N+](=O)[O-] TS85412 [0,1,0,0,0,0|3,0,0]=4 366 B12R1.258 c1cnc(cc1[N+](=O)[O-])C(=O)O TS12456 [0,1,0,0,0,0|3,0,0]=4 367 B12R1.279 B(c1cccc(c1)COC)(O)O TS39713 [0,1,0,0,0,0|1,0,1]=3 368 B12R1.279 B(c1cccc(c1)OCC)(O)O TS16363 [0,1,0,0,0,0|1,0,1]=3 369 B12R1.279 B(c1cccc(c1)SCC)(O)O TS14874 [0,1,0,0,0,0|1,1,1]=4 370 B12R1.279 B(c1ccnc(c1)OCC)(O)O TS07954 [0,1,0,0,0,0|2,0,1]=4 371 B12R1.279 CC(=O)c1cccc(c1)N=C=O TS11363 [0,1,0,0,0,0|2,0,1]=4 372 B12R1.279 CCOc1cc(ccn1)C(=O)O TS43218 [0,1,0,0,0,0|1,0,0]=2 373 B12R1.279 CCOc1cccc(c1)C(=N)N TS11900 [0,1,0,0,0,0|2,0,0]=3 374 B12R1.279 CCOc1cccc(c1)C(=O)C TS42753 [0,1,0,0,0,0|1,0,0]=2 375 B12R1.279 CCOc1cccc(c1)C(=O)Cl TS48667 [0,1,0,0,0,0|1,0,0]=2 376 B12R1.279 CCOc1cccc(c1)C(=O)N TS12001 [0,1,0,0,0,0|1,0,0]=2 377 B12R1.279 CCOc1cccc(c1)C(=O)O TS12184 [0,1,0,0,0,0|0,0,0]=1 378 B12R1.279 CCOc1cccc(c1)[C@@H](C)N TS38181 [0,1,0,0,0,0|2,0,1]=4 379 B12R1.279 CCOc1cccc(c1)[N+](=O)[O-] TS43203 [0,1,0,0,0,0|1,0,1]=3 380 B12R1.279 CCOc1cccc(n1)C(=O)O TS43204 [0,1,0,0,0,0|1,0,0]=2 381 B12R1.279 CCSc1cccc(c1)[N+](=O)[O-] TS15155 [0,1,0,0,0,0|1,1,1]=4 382 B12R1.279 CNCc1cccc(c1)N(=O)=O TS08027 [0,1,0,0,0,0|2,0,1]=4 383 B12R1.279 c1cc(cc(c1)C(=O)O)CC#N TS09443 [0,1,0,0,0,0|1,0,1]=3 384 B12R1.279 c1cc(cc(c1)N=C=O)C(=O)Cl TS48142 [0,1,0,0,0,0|2,0,1]=4 385 B12R1.279 c1cc(cc(c1)N=C=S)C(=O)O TS47707 [0,1,0,0,0,0|1,0,1]=3 386 B12R1.279 c1cc(cc(c1)[N+](=O)[O-])CCN TS02868 [0,1,0,0,0,0|2,0,1]=4 387 B12R1.279 c1cc(cc(c1)[N+](=O)[O-])CCN TS16745 [0,1,0,0,0,0|2,0,1]=4 388 B12R1.279 c1cc(cc(c1)[N+](=O)[O-])CCO TS43208 [0,1,0,0,0,0|2,0,1]=4 389 B12R1.435 CCC(=O)c1cccc(c1)OC TS02826 [0,1,0,0,0,0|1,0,0]=2 390 B12R1.435 COC(=O)c1cc(ccn1)CBr TS24824 [0,1,0,0,0,0|3,0,0]=4 391 B12R1.435 COC(=O)c1cc(cnc1)C#N TS42414 [0,1,0,0,0,0|3,0,0]=4 392 B12R1.435 COC(=O)c1cccc(c1)C#C TS42137 [0,1,0,0,0,0|1,0,1]=3 393 B12R1.435 COC(=O)c1cccc(c1)C#N TS33068 [0,1,0,0,0,0|2,0,0]=3 394 B12R1.435 COC(=O)c1cccc(c1)C=O TS56273 [0,1,0,0,0,0|2,0,0]=3 395 B12R1.435 COC(=O)c1cccc(c1)CBr TS02301 [0,1,0,0,0,0|2,0,0]=3 396 B12R1.435 COC(=O)c1cccc(c1)CCl TS60306 [0,1,0,0,0,0|2,0,0]=3 397 B12R1.435 COC(=O)c1cccc(c1)CN TS19284 [0,1,0,0,0,0|2,0,0]=3 398 B12R1.435 COC(=O)c1cccc(n1)C#N TS11514 [0,1,0,0,0,0|3,0,0]=4 399 B12R1.435 COC(=O)c1cccc(n1)C=O TS11989 [0,1,0,0,0,0|3,0,0]=4 400 B12R1.435 COC(=O)c1cccc(n1)CF TS12661 [0,1,0,0,0,0|3,0,0]=4 401 B12R1.435 COC(=O)c1cccc(n1)CO TS12368 [0,1,0,0,0,0|3,0,0]=4 402 B12R1.435 COC(=O)c1ccnc(c1)C#N TS42421 [0,1,0,0,0,0|3,0,0]=4 403 B12R1.435 COC(=O)c1ccnc(c1)CN TS56233 [0,1,0,0,0,0|3,0,0]=4 404 B12R1.435 COc1cc(ccn1)C(=O)OC TS88888 [0,1,0,0,0,0|1,0,0]=2 405 B12R1.435 COc1cc(cnc1)C(=O)OC TS43201 [0,1,0,0,0,0|1,0,0]=2 406 B12R1.435 COc1cccc(c1)C(=O)C#N TS11388 [0,1,0,0,0,0|1,0,0]=2 407 B12R1.435 COc1cccc(c1)C(=O)CBr TS01771 [0,1,0,0,0,0|1,0,0]=2 408 B12R1.435 COc1cccc(c1)C(=O)NN TS43055 [0,1,0,0,0,0|1,0,0]=2 409 B12R1.435 COc1cccc(c1)C(=O)OC TS12177 [0,1,0,0,0,0|0,0,0]=1 410 B12R1.435 COc1cccc(c1)C(CN)O TS38508 [0,1,0,0,0,0|1,0,1]=3 411 B12R1.435 COc1cccc(n1)C(=O)NN TS12378 [0,1,0,0,0,0|2,0,0]=3 412 B12R1.435 COc1cccc(n1)C(=O)OC TS12356 [0,1,0,0,0,0|1,0,0]=2 413 B12R1.435 COc1ccnc(c1)C(=O)NN TS43227 [0,1,0,0,0,0|2,0,0]=3 414 B12R1.435 COc1ccnc(c1)C(=O)OC TS12354 [0,1,0,0,0,0|1,0,0]=2 415 B12R1.435 COc1ccnc(c1)C(=O)OC TS19651 [0,1,0,0,0,0|1,0,0]=2 416 B12R1.435 COc1cncc(n1)C(=N)OC TS43229 [0,1,0,0,0,0|3,0,0]=4 417 B12R1.435 COc1cncc(n1)C(=O)OC TS12502 [0,1,0,0,0,0|2,0,0]=3 418 B12R1.435 c1cc(cc(c1)C(=O)CBr)C#N TS65669 [0,1,0,0,0,0|3,0,0]=4 419 B12R1.436 COc1cccc(c1)C(F)(F)F TS13784 [0,1,0,0,0,0|2,0,1]=4 420 B12R1.436 COc1cccc(c1)S(=O)(=O)Cl TS20284 [0,1,0,0,0,0|1,0,1]=3 421 B12R1.436 COc1cccc(c1)[Si](C)(C)C TS47977 [0,1,0,0,0,0|2,1,0]=4 422 B12R1.440 B(c1cccc(c1F)OC)(O)O TS55330 [0,1,0,0,0,0|1,0,1]=3 423 B12R1.440 B(c1cccc(c1O)OC)(O)O TS43295 [0,1,0,0,0,0|1,0,1]=3 424 B12R1.440 B(c1ccnc(c1Cl)OC)(O)O TS07743 [0,1,0,0,0,0|2,0,1]=4 425 B12R1.440 COc1cccc(c1Br)[N+](=O)[O-] TS55073 [0,1,0,0,0,0|1,0,1]=3 426 B12R1.440 COc1cccc(c1Cl)[N+](=O)[O-] TS88600 [0,1,0,0,0,0|1,0,1]=3 427 B12R1.440 COc1cccc(c1F)C(=O)O TS55329 [0,1,0,0,0,0|0,0,0]=1 428 B12R1.440 COc1cccc(c1N)C(=O)O TS47371 [0,1,0,0,0,0|0,0,0]=1 429 B12R1.440 COc1cccc(c1N)[N+](=O)[O-] TS01101 [0,1,0,0,0,0|1,0,1]=3 430 B12R1.440 COc1cccc(c1O)C(=O)O TS44816 [0,1,0,0,0,0|0,0,0]=1 431 B12R1.440 Cc1c(cccc1OC)C(=O)Cl TS60305 [0,1,0,0,0,0|1,0,0]=2 432 B12R1.440 Cc1c(cccc1OC)C(=O)O TS70645 [0,1,0,0,0,0|0,0,0]=1 433 B12R1.440 Cc1c(cccc1OC)[N+](=O)[O-] TS01112 [0,1,0,0,0,0|1,0,1]=3 434 B12R1.440 c1cc(c(c(c1)C(=O)O)Cl)CF TS16087 [0,1,0,0,0,0|2,0,0]=3 435 B12R1.440 c1cc(c(c(c1)C(=O)O)N)C=O TS11994 [0,1,0,0,0,0|2,0,0]=3 436 B12R1.453 B(c1cc(ccc1Cl)OC)(O)O TS46505 [0,1,0,0,0,0|1,0,1]=3 437 B12R1.453 B(c1cc(ccc1F)OC)(O)O TS01005 [0,1,0,0,0,0|1,0,1]=3 438 B12R1.453 B(c1cc(ncc1Br)OC)(O)O TS25146 [0,1,0,0,0,0|2,0,1]=4 439 B12R1.453 B(c1cc(ncc1Cl)OC)(O)O TS50600 [0,1,0,0,0,0|2,0,1]=4 440 B12R1.453 B(c1cc(ncc1F)OC)(O)O TS71545 [0,1,0,0,0,0|2,0,1]=4 441 B12R1.453 CC(=O)c1cc(ccc1O)C#N TS08802 [0,1,0,0,0,0|3,0,0]=4 442 B12R1.453 CC(=O)c1cc(ccc1O)OC TS01830 [0,1,0,0,0,0|1,0,0]=2 443 B12R1.453 CCc1ccc(c(c1)C(=O)C)O TS42737 [0,1,0,0,0,0|2,0,0]=3 444 B12R1.453 COc1cc(c(cn1)Br)C(=O)O TS53248 [0,1,0,0,0,0|1,0,0]=2 445 B12R1.453 COc1cc(c(cn1)Cl)C(=O)O TS50613 [0,1,0,0,0,0|1,0,0]=2 446 B12R1.453 COc1cc(c(cn1)F)C(=O)O TS45275 [0,1,0,0,0,0|1,0,0]=2 447 B12R1.453 COc1cc(c(cn1)N)C(=O)O TS71365 [0,1,0,0,0,0|1,0,0]=2 448 B12R1.453 COc1cc(c(nc1)Cl)C(=O)O TS89373 [0,1,0,0,0,0|1,0,0]=2 449 B12R1.453 COc1ccc(c(c1)C(=O)Cl)Br TS27942 [0,1,0,0,0,0|1,0,0]=2 450 B12R1.453 COc1ccc(c(c1)C(=O)N)O TS12363 [0,1,0,0,0,0|1,0,0]=2 451 B12R1.453 COc1ccc(c(c1)C(=O)O)Br TS08351 [0,1,0,0,0,0|0,0,0]=1 452 B12R1.453 COc1ccc(c(c1)C(=O)O)Cl TS22996 [0,1,0,0,0,0|0,0,0]=1 453 B12R1.453 COc1ccc(c(c1)C(=O)O)F TS60282 [0,1,0,0,0,0|0,0,0]=1 454 B12R1.453 COc1ccc(c(c1)C(=O)O)N TS47437 [0,1,0,0,0,0|0,0,0]=1 455 B12R1.453 COc1ccc(c(c1)C(=O)O)O TS17013 [0,1,0,0,0,0|0,0,0]=1 456 B12R1.453 COc1ccc(c(c1)C(=O)O)O TS44815 [0,1,0,0,0,0|0,0,0]=1 457 B12R1.453 COc1ccc(c(c1)[N+](=O)[O-])Br TS09588 [0,1,0,0,0,0|1,0,1]=3 458 B12R1.453 COc1ccc(c(c1)[N+](=O)[O-])Cl TS07785 [0,1,0,0,0,0|1,0,1]=3 459 B12R1.453 COc1ccc(c(c1)[N+](=O)[O-])I TS54201 [0,1,0,0,0,0|1,0,1]=3 460 B12R1.453 COc1ccc(c(c1)[N+](=O)[O-])N TS07807 [0,1,0,0,0,0|1,0,1]=3 461 B12R1.453 COc1ccc(c(c1)[N+](=O)[O-])O TS59621 [0,1,0,0,0,0|1,0,1]=3 462 B12R1.453 CSc1ccc(c(c1)[N+](=O)[O-])N TS70782 [0,1,0,0,0,0|1,1,1]=4 463 B12R1.453 CSc1ncc(c(n1)C(=O)O)Br TS71404 [0,1,0,0,0,0|2,1,0]=4 464 B12R1.453 CSc1ncc(c(n1)C(=O)O)Cl TS19874 [0,1,0,0,0,0|2,1,0]=4 465 B12R1.453 Cc1ccc(cc1C(=O)O)OC TS03350 [0,1,0,0,0,0|0,0,0]=1 466 B12R1.453 Cc1ccc(cc1[N+](=O)[O-])OC TS71232 [0,1,0,0,0,0|1,0,1]=3 467 B12R1.453 c1cc(c(cc1C#N)C(=O)O)F TS07829 [0,1,0,0,0,0|2,0,0]=3 468 B12R1.453 c1cc(c(cc1C=O)C(=O)O)F TS39276 [0,1,0,0,0,0|2,0,0]=3 469 B12R1.453 c1cc(c(cc1C=O)C(=O)O)O TS71559 [0,1,0,0,0,0|2,0,0]=3 470 B12R1.453 c1cc(c(cc1CN)C(=O)O)O TS71380 [0,1,0,0,0,0|2,0,0]=3 471 B12R2.1384 c1cc2c(cc1C(=O)O)C=C2 TS07171 [0,0,0,1,0,0|1,0,1]=3 472 B10R1.31 CCc1[nH]cc(n1)C(=O)O TS37354 [0,0,0,0,1,0|3,0,0]=4 473 B10R1.31 CCc1cc([nH]n1)C(=O)O TS85081 [0,0,0,0,1,0|3,0,0]=4 474 B10R1.31 CCc1cc(no1)C(=O)O TS65159 [0,0,0,0,1,0|3,0,0]=4 475 B10R1.31 CCc1ccc(o1)C(=O)O TS37346 [0,0,0,0,1,0|2,0,0]=3 476 B10R1.31 CCc1ccc(s1)C(=O)C TS41403 [0,0,0,0,1,0|3,0,0]=4 477 B10R1.31 CCc1ccc(s1)C(=O)O TS41629 [0,0,0,0,1,0|2,0,0]=3 478 B10R1.31 COc1cc(on1)C(=O)O TS39312 [0,0,0,0,1,0|2,0,0]=3 479 B10R1.31 CSc1ccc(s1)C(=O)O TS02263 [0,0,0,0,1,0|1,1,0]=3 480 B10R1.31 c1c(c[nH]c1C(=O)O)C=O TS06351 [0,0,0,0,1,0|3,0,0]=4 481 B10R1.31 c1cc([nH]c1C=O)C(=O)O TS06350 [0,0,0,0,1,0|3,0,0]=4 482 B10R1.31 c1cc(oc1C=O)C(=O)O TS39776 [0,0,0,0,1,0|3,0,0]=4 483 B10R1.31 c1cc(oc1CN)C(=O)O TS06569 [0,0,0,0,1,0|3,0,0]=4 484 B10R1.31 c1cc(oc1CO)C(=O)O TS03337 [0,0,0,0,1,0|3,0,0]=4 485 B10R1.31 c1cc(sc1C=O)C(=O)O TS71557 [0,0,0,0,1,0|3,0,0]=4 486 B10R1.39 CCc1ccsc1C(=O)O TS41626 [0,0,0,0,1,0|2,0,0]=3 487 B10R1.39 CCn1cccc1C(=O)C TS37128 [0,0,0,0,1,0|3,0,0]=4 488 B10R1.39 CCn1ccnc1C(=O)O TS37357 [0,0,0,0,1,0|3,0,0]=4 489 B10R1.39 COc1c(cno1)C(=O)O TS40049 [0,0,0,0,1,0|2,0,0]=3 490 B10R1.39 COc1cscc1C(=O)N TS41783 [0,0,0,0,1,0|2,0,0]=3 491 B10R1.39 COc1cscc1C(=O)O TS09139 [0,0,0,0,1,0|1,0,0]=2 492 B10R1.39 CSc1c(ccs1)C(=O)O TS13542 [0,0,0,0,1,0|1,1,0]=3 493 B10R1.39 c1csc(c1C#N)C(=O)O TS41266 [0,0,0,0,1,0|3,0,0]=4 494 B12R1.438 CC(=O)Cc1cccc(c1)OC TS11855 [0,0,0,0,0,1|1,0,0]=2 495 B12R1.438 CC(=O)Nc1cccc(c1)C#C TS11138 [0,0,0,0,0,1|2,0,1]=4 496 B12R1.438 CC(=O)Nc1cccc(c1)OC TS12011 [0,0,0,0,0,1|1,0,0]=2 497 B12R1.438 CC(=O)Nc1cccc(c1)SC TS14829 [0,0,0,0,0,1|1,1,0]=3 498 B12R1.438 CC(=O)Oc1cccc(c1)C=O TS02614 [0,0,0,0,0,1|3,0,0]=4 499 B12R1.438 CC(=O)Oc1cccc(c1)OC TS12201 [0,0,0,0,0,1|1,0,0]=2 500 B12R1.438 CN(C)Cc1cccc(c1)OC TS42949 [0,0,0,0,0,1|3,0,0]=4 501 B12R1.438 COc1cccc(c1)CC(=N)N TS42767 [0,0,0,0,0,1|2,0,0]=3 502 B12R1.438 COc1cccc(c1)CC(=O)Cl TS48662 [0,0,0,0,0,1|1,0,0]=2 503 B12R1.438 COc1cccc(c1)CC(=O)N TS42908 [0,0,0,0,0,1|1,0,0]=2 504 B12R1.438 COc1cccc(c1)CC(=O)O TS02823 [0,0,0,0,0,1|0,0,0]=1 505 B12R1.438 COc1cccc(c1)NC(=N)N TS12034 [0,0,0,0,0,1|2,0,0]=3 506 B12R1.438 COc1cccc(c1)NC(=N)N TS19290 [0,0,0,0,0,1|2,0,0]=3 507 B12R1.438 COc1cccc(c1)NC(=O)N TS12222 [0,0,0,0,0,1|1,0,0]=2 508 B12R1.438 COc1cccc(c1)NC(=S)N TS48302 [0,0,0,0,0,1|1,1,0]=3 509 B12R1.438 c1cc(cc(c1)C#N)CC(=O)O TS11383 [0,0,0,0,0,1|2,0,0]=3 510 B12R1.438 c1cc(cc(c1)CCl)CC(=O)O TS15375 [0,0,0,0,0,1|2,0,0]=3 511 B9R0.55 C(=CC(=O)O)C=CC(=O)O TS06645 [1,0,1,0,0,0|1,0,0]=3 512 B9R0.55 C(=CC(=O)O)C=CC(=O)O TS94785 [1,0,1,0,0,0|1,0,0]=3 513 B9R0.15 CCCC(=CC=C)C(=O)O TS06475 [1,0,1,0,0,0|0,0,2]=4 514 B9R1.2 C#Cc1cccc(c1)O TS32329 [2,0,0,0,0,0|1,0,1]=4 515 B9R1.2 C=Cc1cccc(c1)Br TS48377 [2,0,0,0,0,0|2,0,0]=4 516 B9R1.2 C=Cc1cccc(c1)Cl TS37252 [2,0,0,0,0,0|2,0,0]=4 517 B9R1.2 C=Cc1cccc(c1)F TS32503 [2,0,0,0,0,0|2,0,0]=4 518 B9R1.2 C=Cc1cccc(c1)N TS04792 [2,0,0,0,0,0|2,0,0]=4 519 B9R1.2 CC[n+]1cccc(c1)O TS38523 [2,0,0,0,0,0|2,0,0]=4 520 B9R1.2 CCc1cccc(c1)Br TS32764 [2,0,0,0,0,0|2,0,0]=4 521 B9R1.2 CCc1cccc(c1)C TS04835 [2,0,0,0,0,0|1,0,1]=4 522 B9R1.2 CCc1cccc(c1)N TS32463 [2,0,0,0,0,0|2,0,0]=4 523 B9R1.2 CCc1cccc(c1)O TS04895 [2,0,0,0,0,0|1,0,0]=3 524 B9R1.2 CNc1cccc(c1)Br TS48829 [2,0,0,0,0,0|2,0,0]=4 525 B9R1.2 CNc1cccc(c1)Cl TS37535 [2,0,0,0,0,0|2,0,0]=4 526 B9R1.2 CNc1cccc(c1)F TS70598 [2,0,0,0,0,0|2,0,0]=4 527 B9R1.2 COc1cc(=O)[nH]nc1 TS85110 [2,0,0,0,0,0|2,0,0]=4 528 B9R1.2 COc1cc(ccn1)Cl TS03053 [2,0,0,0,0,0|2,0,0]=4 529 B9R1.2 COc1cc(ccn1)F TS05258 [2,0,0,0,0,0|2,0,0]=4 530 B9R1.2 COc1cc(ccn1)I TS71184 [2,0,0,0,0,0|2,0,0]=4 531 B9R1.2 COc1cc(ccn1)N TS02966 [2,0,0,0,0,0|2,0,0]=4 532 B9R1.2 COc1cc(cnc1)Br TS65932 [2,0,0,0,0,0|2,0,0]=4 533 B9R1.2 COc1cc(cnc1)Cl TS06905 [2,0,0,0,0,0|2,0,0]=4 534 B9R1.2 COc1cc(cnc1)I TS25666 [2,0,0,0,0,0|2,0,0]=4 535 B9R1.2 COc1cc(cnc1)N TS55470 [2,0,0,0,0,0|2,0,0]=4 536 B9R1.2 COc1cc(cnc1)N TS89352 [2,0,0,0,0,0|2,0,0]=4 537 B9R1.2 COc1cc(cnc1)O TS55469 [2,0,0,0,0,0|1,0,0]=3 538 B9R1.2 COc1cc[nH]c(=O)c1 TS71209 [2,0,0,0,0,0|1,0,0]=3 539 B9R1.2 COc1ccc[n+](c1)[O-] TS05090 [2,0,0,0,0,0|1,0,1]=4 540 B9R1.2 COc1cccc(c1)Br TS00028 [2,0,0,0,0,0|1,0,0]=3 541 B9R1.2 COc1cccc(c1)Cl TS37686 [2,0,0,0,0,0|1,0,0]=3 542 B9R1.2 COc1cccc(c1)F TS70591 [2,0,0,0,0,0|1,0,0]=3 543 B9R1.2 COc1cccc(c1)I TS39445 [2,0,0,0,0,0|1,0,0]=3 544 B9R1.2 COc1cccc(c1)N TS02081 [2,0,0,0,0,0|1,0,0]=3 545 B9R1.2 COc1cccc(c1)N TS11191 [2,0,0,0,0,0|1,0,0]=3 546 B9R1.2 COc1cccc(c1)O TS39714 [2,0,0,0,0,0|0,0,0]=2 547 B9R1.2 COc1cccc(c1)S TS70650 [2,0,0,0,0,0|0,1,0]=3 548 B9R1.2 COc1cccc(c1)[Zn+] TS74541 [2,0,0,0,0,0|1,0,0]=3 549 B9R1.2 COc1cccc(n1)Br TS08366 [2,0,0,0,0,0|2,0,0]=4 550 B9R1.2 COc1cccc(n1)Cl TS55270 [2,0,0,0,0,0|2,0,0]=4 551 B9R1.2 COc1cccc(n1)I TS56597 [2,0,0,0,0,0|2,0,0]=4 552 B9R1.2 COc1cccc(n1)O TS05074 [2,0,0,0,0,0|1,0,0]=3 553 B9R1.2 COc1ccnc(c1)Br TS08328 [2,0,0,0,0,0|2,0,0]=4 554 B9R1.2 COc1ccnc(c1)Cl TS55226 [2,0,0,0,0,0|2,0,0]=4 555 B9R1.2 COc1ccnc(c1)N TS47406 [2,0,0,0,0,0|2,0,0]=4 556 B9R1.2 CSc1cccc(c1)Br TS60340 [2,0,0,0,0,0|1,1,0]=4 557 B9R1.2 CSc1cccc(c1)Cl TS42003 [2,0,0,0,0,0|1,1,0]=4 558 B9R1.2 CSc1cccc(c1)F TS60012 [2,0,0,0,0,0|1,1,0]=4 559 B9R1.2 CSc1cccc(c1)I TS27987 [2,0,0,0,0,0|1,1,0]=4 560 B9R1.2 CSc1cccc(c1)N TS02674 [2,0,0,0,0,0|1,1,0]=4 561 B9R1.2 Cc1cc(ccn1)C=O TS02448 [2,0,0,0,0,0|1,0,0]=3 562 B9R1.2 Cc1cc(cnc1)C=O TS01158 [2,0,0,0,0,0|1,0,0]=3 563 B9R1.2 Cc1cc(cnc1)CO TS04972 [2,0,0,0,0,0|1,0,1]=4 564 B9R1.2 Cc1cc(cnc1)OC TS04960 [2,0,0,0,0,0|1,0,1]=4 565 B9R1.2 Cc1cccc(c1)C#C TS32229 [2,0,0,0,0,0|1,0,1]=4 566 B9R1.2 Cc1cccc(c1)C#N TS02843 [2,0,0,0,0,0|1,0,1]=4 567 B9R1.2 Cc1cccc(c1)C=C TS70680 [2,0,0,0,0,0|1,0,0]=3 568 B9R1.2 Cc1cccc(c1)CBr TS00037 [2,0,0,0,0,0|1,0,1]=4 569 B9R1.2 Cc1cccc(c1)CCl TS37460 [2,0,0,0,0,0|1,0,1]=4 570 B9R1.2 Cc1cccc(c1)CN TS04866 [2,0,0,0,0,0|1,0,1]=4 571 B9R1.2 Cc1cccc(c1)CO TS04903 [2,0,0,0,0,0|0,0,1]=3 572 B9R1.2 Cc1cccc(c1)CS TS06306 [2,0,0,0,0,0|0,1,1]=4 573 B9R1.2 Cc1cccc(c1)C[Zn+] TS38912 [2,0,0,0,0,0|1,0,1]=4 574 B9R1.2 Cc1cccc(c1)NC TS32467 [2,0,0,0,0,0|1,0,1]=4 575 B9R1.2 Cc1cccc(c1)NN TS04918 [2,0,0,0,0,0|2,0,0]=4 576 B9R1.2 Cc1cccc(c1)NN TS41997 [2,0,0,0,0,0|2,0,0]=4 577 B9R1.2 Cc1cccc(c1)OC TS32509 [2,0,0,0,0,0|0,0,1]=3 578 B9R1.2 Cc1cccc(c1)[Mg]Br TS52067 [2,0,0,0,0,0|2,0,0]=4 579 B9R1.2 Cc1cccc(c1)[Mg]Cl TS40952 [2,0,0,0,0,0|2,0,0]=4 580 B9R1.2 Cc1cccc(n1)C=C TS04794 [2,0,0,0,0,0|2,0,0]=4 581 B9R1.2 Cc1cccc(n1)C=O TS85261 [2,0,0,0,0,0|1,0,0]=3 582 B9R1.2 Cc1cccc(n1)CO TS04961 [2,0,0,0,0,0|1,0,1]=4 583 B9R1.2 Cc1cccc(n1)OC TS00087 [2,0,0,0,0,0|1,0,1]=4 584 B9R1.2 Cc1ccnc(c1)C=O TS03178 [2,0,0,0,0,0|1,0,0]=3 585 B9R1.2 Cc1ccnc(c1)OC TS04955 [2,0,0,0,0,0|1,0,1]=4 586 B9R1.2 Cc1ccnc(n1)C=O TS90032 [2,0,0,0,0,0|2,0,0]=4 587 B9R1.2 Cc1nccc(n1)C=O TS02450 [2,0,0,0,0,0|2,0,0]=4 588 B9R1.2 c1c(cncc1Br)C=O TS16988 [2,0,0,0,0,0|2,0,0]=4 589 B9R1.2 c1c(cncc1Cl)C=O TS37528 [2,0,0,0,0,0|2,0,0]=4 590 B9R1.2 c1c(cncc1F)C=O TS03322 [2,0,0,0,0,0|2,0,0]=4 591 B9R1.2 c1c(cncc1I)C=O TS25323 [2,0,0,0,0,0|2,0,0]=4 592 B9R1.2 c1cc(cc(c1)Br)C=O TS09477 [2,0,0,0,0,0|1,0,0]=3 593 B9R1.2 c1cc(cc(c1)Br)CO TS09485 [2,0,0,0,0,0|1,0,1]=4 594 B9R1.2 c1cc(cc(c1)Cl)C=O TS00142 [2,0,0,0,0,0|1,0,0]=3 595 B9R1.2 c1cc(cc(c1)Cl)CO TS02715 [2,0,0,0,0,0|1,0,1]=4 596 B9R1.2 c1cc(cc(c1)F)C=O TS16744 [2,0,0,0,0,0|1,0,0]=3 597 B9R1.2 c1cc(cc(c1)F)CO TS39434 [2,0,0,0,0,0|1,0,1]=4 598 B9R1.2 c1cc(cc(c1)I)C=O TS53246 [2,0,0,0,0,0|1,0,0]=3 599 B9R1.2 c1cc(cc(c1)I)CO TS53549 [2,0,0,0,0,0|1,0,1]=4 600 B9R1.2 c1cc(cc(c1)N)C=O TS04864 [2,0,0,0,0,0|1,0,0]=3 601 B9R1.2 c1cc(cc(c1)N)C=O TS10917 [2,0,0,0,0,0|1,0,0]=3 602 B9R1.2 c1cc(cc(c1)N)CO TS59603 [2,0,0,0,0,0|1,0,1]=4 603 B9R1.2 c1cc(cc(c1)O)C#N TS02727 [2,0,0,0,0,0|1,0,1]=4 604 B9R1.2 c1cc(cc(c1)O)C=O TS70619 [2,0,0,0,0,0|0,0,0]=2 605 B9R1.2 c1cc(cc(c1)O)CBr TS49013 [2,0,0,0,0,0|1,0,1]=4 606 B9R1.2 c1cc(cc(c1)O)CCl TS37687 [2,0,0,0,0,0|1,0,1]=4 607 B9R1.2 c1cc(cc(c1)O)CO TS32602 [2,0,0,0,0,0|0,0,1]=3 608 B9R1.2 c1cc(nc(c1)Br)C=O TS16476 [2,0,0,0,0,0|2,0,0]=4 609 B9R1.2 c1cc(nc(c1)Cl)C=O TS55586 [2,0,0,0,0,0|2,0,0]=4 610 B9R1.2 c1cc(nc(c1)F)C=O TS55360 [2,0,0,0,0,0|2,0,0]=4 611 B9R1.2 c1cnc(cc1Br)C=O TS71011 [2,0,0,0,0,0|2,0,0]=4 612 B9R1.2 c1cnc(cc1C=O)Br TS00862 [2,0,0,0,0,0|2,0,0]=4 613 B9R1.2 c1cnc(cc1C=O)Cl TS55217 [2,0,0,0,0,0|2,0,0]=4 614 B9R1.2 c1cnc(cc1C=O)F TS01027 [2,0,0,0,0,0|2,0,0]=4 615 B9R1.2 c1cnc(cc1C=O)N TS32497 [2,0,0,0,0,0|2,0,0]=4 616 B9R1.2 c1cnc(cc1C=O)O TS55404 [2,0,0,0,0,0|1,0,0]=3 617 B9R1.2 c1cnc(cc1Cl)C=O TS09692 [2,0,0,0,0,0|2,0,0]=4 618 B9R1.6 B(c1ccccc1)(O)O TS59339 [2,0,0,0,0,0|1,0,1]=4 619 B9R1.6 C=C(c1ccccc1)Br TS48375 [2,0,0,0,0,0|2,0,0]=4 620 B9R1.6 C=C(c1ccccc1)[Zn+] TS08929 [2,0,0,0,0,0|2,0,0]=4 621 B9R1.6 CC(=C)c1ccccc1 TS32349 [2,0,0,0,0,0|2,0,0]=4 622 B9R1.6 CC(=O)c1ccccc1 TS32455 [2,0,0,0,0,0|1,0,0]=3 623 B9R1.6 CC(=O)c1ccccc1 TS32456 [2,0,0,0,0,0|1,0,0]=3 624 B9R1.6 CC(=O)c1ccccc1 TS38236 [2,0,0,0,0,0|1,0,0]=3 625 B9R1.6 CC(=O)c1ccccc1 TS55713 [2,0,0,0,0,0|1,0,0]=3 626 B9R1.6 CC(=O)c1ccccn1 TS04861 [2,0,0,0,0,0|2,0,0]=4 627 B9R1.6 CC(=O)c1cccnc1 TS65831 [2,0,0,0,0,0|2,0,0]=4 628 B9R1.6 CC(=O)c1ccncc1 TS02952 [2,0,0,0,0,0|2,0,0]=4 629 B9R1.6 CC(c1ccccc1)O TS04908 [2,0,0,0,0,0|1,0,1]=4 630 B9R1.6 C[C@@H](c1ccccc1)O TS04904 [2,0,0,0,0,0|1,0,1]=4 631 B9R1.6 C[C@H](c1ccccc1)O TS04906 [2,0,0,0,0,0|1,0,1]=4 632 B9R1.6 c1c(cncn1)C(=O)O TS11330 [2,0,0,0,0,0|2,0,0]=4 633 B9R1.6 c1c(cncn1)C(=O)O TS88781 [2,0,0,0,0,0|2,0,0]=4 634 B9R1.6 c1cc(cnc1)C(=O)Cl TS01937 [2,0,0,0,0,0|2,0,0]=4 635 B9R1.6 c1cc(cnc1)C(=O)Cl TS56401 [2,0,0,0,0,0|2,0,0]=4 636 B9R1.6 c1cc(cnc1)C(=O)N TS32591 [2,0,0,0,0,0|2,0,0]=4 637 B9R1.6 c1cc(cnc1)C(=O)N TS62787 [2,0,0,0,0,0|2,0,0]=4 638 B9R1.6 c1cc(cnc1)C(=O)N TS65239 [2,0,0,0,0,0|2,0,0]=4 639 B9R1.6 c1cc(cnc1)C(=O)O TS36046 [2,0,0,0,0,0|1,0,0]=3 640 B9R1.6 c1cc(cnc1)C(=O)[O-] TS07068 [2,0,0,0,0,0|1,0,1]=4 641 B9R1.6 c1cc(cnc1)C(=O)[O-] TS73812 [2,0,0,0,0,0|1,0,1]=4 642 B9R1.6 c1cc(cnc1)C(=O)[O-] TS81627 [2,0,0,0,0,0|1,0,1]=4 643 B9R1.6 c1cc(cnc1)C(=S)O TS37303 [2,0,0,0,0,0|1,1,0]=4 644 B9R1.6 c1cc(nnc1)C(=O)O TS59367 [2,0,0,0,0,0|2,0,0]=4 645 B9R1.6 c1ccc(cc1)C(=N)N TS04816 [2,0,0,0,0,0|2,0,0]=4 646 B9R1.6 c1ccc(cc1)C(=N)N TS13608 [2,0,0,0,0,0|2,0,0]=4 647 B9R1.6 c1ccc(cc1)C(=N)N TS55741 [2,0,0,0,0,0|2,0,0]=4 648 B9R1.6 c1ccc(cc1)C(=O)Br TS15413 [2,0,0,0,0,0|1,0,0]=3 649 B9R1.6 c1ccc(cc1)C(=O)Cl TS37445 [2,0,0,0,0,0|1,0,0]=3 650 B9R1.6 c1ccc(cc1)C(=O)F TS32590 [2,0,0,0,0,0|1,0,0]=3 651 B9R1.6 c1ccc(cc1)C(=O)N TS04862 [2,0,0,0,0,0|1,0,0]=3 652 B9R1.6 c1ccc(cc1)C(=O)O TS20747 [2,0,0,0,0,0|0,0,0]=2 653 B9R1.6 c1ccc(cc1)C(=O)O TS21872 [2,0,0,0,0,0|0,0,0]=2 654 B9R1.6 c1ccc(cc1)C(=O)O TS32552 [2,0,0,0,0,0|0,0,0]=2 655 B9R1.6 c1ccc(cc1)C(=O)O TS46282 [2,0,0,0,0,0|0,0,0]=2 656 B9R1.6 c1ccc(cc1)C(=O)O TS93416 [2,0,0,0,0,0|0,0,0]=2 657 B9R1.6 c1ccc(cc1)C(=O)[O-] TS05306 [2,0,0,0,0,0|0,0,1]=3 658 B9R1.6 c1ccc(cc1)C(=O)[O-] TS06916 [2,0,0,0,0,0|0,0,1]=3 659 B9R1.6 c1ccc(cc1)C(=O)[O-] TS30348 [2,0,0,0,0,0|0,0,1]=3 660 B9R1.6 c1ccc(cc1)C(=O)[O-] TS42179 [2,0,0,0,0,0|0,0,1]=3 661 B9R1.6 c1ccc(cc1)C(=O)[O-] TS52761 [2,0,0,0,0,0|0,0,1]=3 662 B9R1.6 c1ccc(cc1)C(=S)N TS01727 [2,0,0,0,0,0|1,1,0]=4 663 B9R1.6 c1ccc(cc1)C(=S)O TS06290 [2,0,0,0,0,0|0,1,0]=3 664 B9R1.6 c1ccc(cc1)I(=O)=O TS25817 [2,0,0,0,0,0|1,0,1]=4 665 B9R1.6 c1ccc(cc1)P(=O)O TS59341 [2,0,0,0,0,0|1,0,0]=3 666 B9R1.6 c1ccc(cc1)P(=O)[O-] TS42670 [2,0,0,0,0,0|1,0,1]=4 667 B9R1.6 c1ccc(cc1)S(=O)[O-] TS11824 [2,0,0,0,0,0|1,0,1]=4 668 B9R1.6 c1ccc(cc1)S(=O)[O-] TS37866 [2,0,0,0,0,0|1,0,1]=4 669 B9R1.6 c1ccc(cc1)S(=O)[O-] TS78880 [2,0,0,0,0,0|1,0,1]=4 670 B9R1.6 c1ccc(cc1)[N+](=O)[O-] TS32550 [2,0,0,0,0,0|1,0,1]=4 671 B9R1.6 c1ccnc(c1)C(=O)Cl TS46362 [2,0,0,0,0,0|2,0,0]=4 672 B9R1.6 c1ccnc(c1)C(=O)N TS32493 [2,0,0,0,0,0|2,0,0]=4 673 B9R1.6 c1ccnc(c1)C(=O)O TS02470 [2,0,0,0,0,0|1,0,0]=3 674 B9R1.6 c1ccnc(c1)C(=O)[O-] TS07067 [2,0,0,0,0,0|1,0,1]=4 675 B9R1.6 c1ccnc(c1)C(=O)[O-] TS58877 [2,0,0,0,0,0|1,0,1]=4 676 B9R1.6 c1ccnc(c1)C(=O)[O-] TS76363 [2,0,0,0,0,0|1,0,1]=4 677 B9R1.6 c1ccnc(c1)C(=O)[O-] TS81628 [2,0,0,0,0,0|1,0,1]=4 678 B9R1.6 c1ccnc(c1)C(=O)[O-] TS93320 [2,0,0,0,0,0|1,0,1]=4 679 B9R1.6 c1cnc(cn1)C(=O)O TS59361 [2,0,0,0,0,0|2,0,0]=4 680 B9R1.6 c1cnc(nc1)C(=O)O TS87638 [2,0,0,0,0,0|2,0,0]=4 681 B9R1.6 c1cnccc1C(=O)Cl TS46358 [2,0,0,0,0,0|2,0,0]=4 682 B9R1.6 c1cnccc1C(=O)N TS74511 [2,0,0,0,0,0|2,0,0]=4 683 B9R1.6 c1cnccc1C(=O)O TS01508 [2,0,0,0,0,0|1,0,0]=3 684 B9R1.6 c1cnccc1C(=O)[O-] TS07066 [2,0,0,0,0,0|1,0,1]=4 685 B9R1.6 c1cncnc1C(=O)O TS90236 [2,0,0,0,0,0|2,0,0]=4 686 B9R1.6 c1cnncc1C(=O)O TS59368 [2,0,0,0,0,0|2,0,0]=4 687 B11R1.21 B(c1ccc(c(c1)C)C)(O)O TS65766 [1,1,0,0,0,0|1,0,1]=4 688 B11R1.21 B(c1ccc(c(c1)C)Cl)(O)O TS09646 [1,1,0,0,0,0|1,0,1]=4 689 B11R1.21 B(c1ccc(c(c1)C)F)(O)O TS70665 [1,1,0,0,0,0|1,0,1]=4 690 B11R1.21 CC(=O)c1ccc(c(c1)Br)F TS60007 [1,1,0,0,0,0|2,0,0]=4 691 B11R1.21 CC(=O)c1ccc(c(c1)Br)N TS64986 [1,1,0,0,0,0|2,0,0]=4 692 B11R1.21 CC(=O)c1ccc(c(c1)Cl)Cl TS02537 [1,1,0,0,0,0|2,0,0]=4 693 B11R1.21 CC(=O)c1ccc(c(c1)Cl)F TS02680 [1,1,0,0,0,0|2,0,0]=4 694 B11R1.21 CC(=O)c1ccc(c(c1)Cl)N TS12728 [1,1,0,0,0,0|2,0,0]=4 695 B11R1.21 CC(=O)c1ccc(c(c1)Cl)O TS45230 [1,1,0,0,0,0|2,0,0]=4 696 B11R1.21 CC(=O)c1ccc(c(c1)F)Br TS08979 [1,1,0,0,0,0|2,0,0]=4 697 B11R1.21 CC(=O)c1ccc(c(c1)F)Cl TS07777 [1,1,0,0,0,0|2,0,0]=4 698 B11R1.21 CC(=O)c1ccc(c(c1)F)O TS41343 [1,1,0,0,0,0|2,0,0]=4 699 B11R1.21 CC(=O)c1ccc(c(c1)N)Cl TS12718 [1,1,0,0,0,0|2,0,0]=4 700 B11R1.21 CC(=O)c1ccc(c(c1)N)F TS65466 [1,1,0,0,0,0|2,0,0]=4 701 B11R1.21 CC(=O)c1ccc(c(c1)O)O TS10132 [1,1,0,0,0,0|1,0,0]=3 702 B11R1.21 Cc1c(cc(cn1)C(=O)O)N TS90571 [1,1,0,0,0,0|2,0,0]=4 703 B11R1.21 Cc1cc(ccc1Br)C(=O)N TS44447 [1,1,0,0,0,0|1,0,0]=3 704 B11R1.21 Cc1cc(ccc1Br)C(=O)O TS09586 [1,1,0,0,0,0|0,0,0]=2 705 B11R1.21 Cc1cc(ccc1Br)[N+](=O)[O-] TS85255 [1,1,0,0,0,0|1,0,1]=4 706 B11R1.21 Cc1cc(ccc1Cl)C(=O)C TS12619 [1,1,0,0,0,0|1,0,0]=3 707 B11R1.21 Cc1cc(ccc1Cl)C(=O)O TS29440 [1,1,0,0,0,0|0,0,0]=2 708 B11R1.21 Cc1cc(ccc1Cl)[N+](=O)[O-] TS13068 [1,1,0,0,0,0|1,0,1]=4 709 B11R1.21 Cc1cc(ccc1F)C(=O)C TS10166 [1,1,0,0,0,0|1,0,0]=3 710 B11R1.21 Cc1cc(ccc1F)C(=O)Cl TS45554 [1,1,0,0,0,0|1,0,0]=3 711 B11R1.21 Cc1cc(ccc1F)C(=O)N TS10310 [1,1,0,0,0,0|1,0,0]=3 712 B11R1.21 Cc1cc(ccc1F)C(=O)O TS71120 [1,1,0,0,0,0|0,0,0]=2 713 B11R1.21 Cc1cc(ccc1F)[N+](=O)[O-] TS01018 [1,1,0,0,0,0|1,0,1]=4 714 B11R1.21 Cc1cc(ccc1I)C(=O)O TS07798 [1,1,0,0,0,0|0,0,0]=2 715 B11R1.21 Cc1cc(ccc1I)[N+](=O)[O-] TS68683 [1,1,0,0,0,0|1,0,1]=4 716 B11R1.21 Cc1cc(ccc1N)C(=O)O TS70890 [1,1,0,0,0,0|0,0,0]=2 717 B11R1.21 Cc1cc(ccc1N)[N+](=O)[O-] TS01124 [1,1,0,0,0,0|1,0,1]=4 718 B11R1.21 Cc1cc(ccc1O)C(=O)C TS03116 [1,1,0,0,0,0|1,0,0]=3 719 B11R1.21 Cc1cc(ccc1O)C(=O)O TS32971 [1,1,0,0,0,0|0,0,0]=2 720 B11R1.21 Cc1cc(ccc1O)[N+](=O)[O-] TS55449 [1,1,0,0,0,0|1,0,1]=4 721 B11R1.21 Cc1ccc(cc1Br)C(=O)C TS60336 [1,1,0,0,0,0|2,0,0]=4 722 B11R1.21 Cc1ccc(cc1Br)C(=O)Cl TS53519 [1,1,0,0,0,0|2,0,0]=4 723 B11R1.21 Cc1ccc(cc1Br)C(=O)O TS09456 [1,1,0,0,0,0|1,0,0]=3 724 B11R1.21 Cc1ccc(cc1C)C(=N)N TS15398 [1,1,0,0,0,0|2,0,0]=4 725 B11R1.21 Cc1ccc(cc1C)C(=N)N TS40675 [1,1,0,0,0,0|2,0,0]=4 726 B11R1.21 Cc1ccc(cc1C)C(=O)C TS07474 [1,1,0,0,0,0|1,0,0]=3 727 B11R1.21 Cc1ccc(cc1C)C(=O)Cl TS44947 [1,1,0,0,0,0|1,0,0]=3 728 B11R1.21 Cc1ccc(cc1C)C(=O)N TS40750 [1,1,0,0,0,0|1,0,0]=3 729 B11R1.21 Cc1ccc(cc1C)C(=O)O TS40862 [1,1,0,0,0,0|0,0,0]=2 730 B11R1.21 Cc1ccc(cc1C)C(=S)N TS12085 [1,1,0,0,0,0|1,1,0]=4 731 B11R1.21 Cc1ccc(cc1C)[N+](=O)[O-] TS71255 [1,1,0,0,0,0|1,0,1]=4 732 B11R1.21 Cc1ccc(cc1Cl)C(=O)N TS12720 [1,1,0,0,0,0|2,0,0]=4 733 B11R1.21 Cc1ccc(cc1Cl)C(=O)O TS65499 [1,1,0,0,0,0|1,0,0]=3 734 B11R1.21 Cc1ccc(cc1F)C(=O)C TS02754 [1,1,0,0,0,0|2,0,0]=4 735 B11R1.21 Cc1ccc(cc1F)C(=O)Cl TS13268 [1,1,0,0,0,0|2,0,0]=4 736 B11R1.21 Cc1ccc(cc1F)C(=O)O TS02756 [1,1,0,0,0,0|1,0,0]=3 737 B11R1.21 Cc1ccc(cc1I)C(=O)O TS29738 [1,1,0,0,0,0|1,0,0]=3 738 B11R1.21 Cc1ccc(cc1N)C(=O)N TS40875 [1,1,0,0,0,0|2,0,0]=4 739 B11R1.21 Cc1ccc(cc1N)C(=O)O TS65862 [1,1,0,0,0,0|1,0,0]=3 740 B11R1.21 Cc1ccc(cc1O)C(=O)C TS40839 [1,1,0,0,0,0|1,0,0]=3 741 B11R1.21 Cc1ccc(cc1O)C(=O)O TS70609 [1,1,0,0,0,0|0,0,0]=2 742 B11R1.21 Cc1ccc(cc1O)[N+](=O)[O-] TS41253 [1,1,0,0,0,0|1,0,1]=4 743 B11R1.21 Cn1c(=O)ccc(n1)C(=O)O TS86196 [1,1,0,0,0,0|2,0,0]=4 744 B11R1.21 Cn1cc(ccc1=O)C(=O)O TS60217 [1,1,0,0,0,0|1,0,0]=3 745 B11R1.21 Cn1ccc(cc1=O)C(=O)O TS91097 [1,1,0,0,0,0|1,0,1]=4 746 B11R1.21 c1c(c(cnc1C(=O)O)Br)N TS88263 [1,1,0,0,0,0|2,0,0]=4 747 B11R1.21 c1c(cnc(c1Br)Br)C(=O)O TS85449 [1,1,0,0,0,0|2,0,0]=4 748 B11R1.21 c1c(cnc(c1Br)Cl)C(=O)O TS71449 [1,1,0,0,0,0|2,0,0]=4 749 B11R1.21 c1c(cnc(c1Br)O)C(=O)O TS55603 [1,1,0,0,0,0|2,0,0]=4 750 B11R1.21 c1c(cnc(c1Cl)Cl)C(=O)O TS71337 [1,1,0,0,0,0|2,0,0]=4 751 B11R1.21 c1c(cnc(c1Cl)O)C(=O)O TS71450 [1,1,0,0,0,0|2,0,0]=4 752 B11R1.21 c1c(cnc(c1F)F)C(=O)O TS86664 [1,1,0,0,0,0|2,0,0]=4 753 B11R1.21 c1cc(c(cc1C(=O)Cl)Br)F TS26099 [1,1,0,0,0,0|2,0,0]=4 754 B11R1.21 c1cc(c(cc1C(=O)Cl)Cl)Cl TS20791 [1,1,0,0,0,0|2,0,0]=4 755 B11R1.21 c1cc(c(cc1C(=O)Cl)Cl)F TS02684 [1,1,0,0,0,0|2,0,0]=4 756 B11R1.21 c1cc(c(cc1C(=O)Cl)F)F TS13940 [1,1,0,0,0,0|2,0,0]=4 757 B11R1.21 c1cc(c(cc1C(=O)F)Br)F TS23218 [1,1,0,0,0,0|2,0,0]=4 758 B11R1.21 c1cc(c(cc1C(=O)F)Cl)F TS13939 [1,1,0,0,0,0|2,0,0]=4 759 B11R1.21 c1cc(c(cc1C(=O)N)Cl)Cl TS16284 [1,1,0,0,0,0|2,0,0]=4 760 B11R1.21 c1cc(c(cc1C(=O)N)Cl)F TS13402 [1,1,0,0,0,0|2,0,0]=4 761 B11R1.21 c1cc(c(cc1C(=O)N)F)F TS41742 [1,1,0,0,0,0|2,0,0]=4 762 B11R1.21 c1cc(c(cc1C(=O)N)N)Cl TS45237 [1,1,0,0,0,0|2,0,0]=4 763 B11R1.21 c1cc(c(cc1C(=O)N)O)O TS10289 [1,1,0,0,0,0|1,0,0]=3 764 B11R1.21 c1cc(c(cc1C(=O)O)Br)Br TS54284 [1,1,0,0,0,0|1,0,0]=3 765 B11R1.21 c1cc(c(cc1C(=O)O)Br)Cl TS65915 [1,1,0,0,0,0|1,0,0]=3 766 B11R1.21 c1cc(c(cc1C(=O)O)Br)N TS39467 [1,1,0,0,0,0|1,0,0]=3 767 B11R1.21 c1cc(c(cc1C(=O)O)Br)O TS22772 [1,1,0,0,0,0|1,0,0]=3 768 B11R1.21 c1cc(c(cc1C(=O)O)Cl)Br TS25787 [1,1,0,0,0,0|1,0,0]=3 769 B11R1.21 c1cc(c(cc1C(=O)O)Cl)Cl TS22870 [1,1,0,0,0,0|1,0,0]=3 770 B11R1.21 c1cc(c(cc1C(=O)O)Cl)F TS02682 [1,1,0,0,0,0|1,0,0]=3 771 B11R1.21 c1cc(c(cc1C(=O)O)Cl)N TS70877 [1,1,0,0,0,0|1,0,0]=3 772 B11R1.21 c1cc(c(cc1C(=O)O)Cl)O TS13256 [1,1,0,0,0,0|1,0,0]=3 773 B11R1.21 c1cc(c(cc1C(=O)O)F)Br TS08993 [1,1,0,0,0,0|1,0,0]=3 774 B11R1.21 c1cc(c(cc1C(=O)O)F)Cl TS71036 [1,1,0,0,0,0|1,0,0]=3 775 B11R1.21 c1cc(c(cc1C(=O)O)F)F TS65752 [1,1,0,0,0,0|1,0,0]=3 776 B11R1.21 c1cc(c(cc1C(=O)O)F)I TS65510 [1,1,0,0,0,0|1,0,0]=3 777 B11R1.21 c1cc(c(cc1C(=O)O)F)N TS70880 [1,1,0,0,0,0|1,0,0]=3 778 B11R1.21 c1cc(c(cc1C(=O)O)F)O TS08980 [1,1,0,0,0,0|1,0,0]=3 779 B11R1.21 c1cc(c(cc1C(=O)O)I)Cl TS09641 [1,1,0,0,0,0|1,0,0]=3 780 B11R1.21 c1cc(c(cc1C(=O)O)I)F TS39502 [1,1,0,0,0,0|1,0,0]=3 781 B11R1.21 c1cc(c(cc1C(=O)O)I)I TS66955 [1,1,0,0,0,0|1,0,0]=3 782 B11R1.21 c1cc(c(cc1C(=O)O)I)N TS60370 [1,1,0,0,0,0|1,0,0]=3 783 B11R1.21 c1cc(c(cc1C(=O)O)I)O TS29986 [1,1,0,0,0,0|1,0,0]=3 784 B11R1.21 c1cc(c(cc1C(=O)O)N)Br TS65851 [1,1,0,0,0,0|1,0,0]=3 785 B11R1.21 c1cc(c(cc1C(=O)O)N)Cl TS13071 [1,1,0,0,0,0|1,0,0]=3 786 B11R1.21 c1cc(c(cc1C(=O)O)N)F TS17374 [1,1,0,0,0,0|1,0,0]=3 787 B11R1.21 c1cc(c(cc1C(=O)O)N)F TS41487 [1,1,0,0,0,0|1,0,0]=3 788 B11R1.21 c1cc(c(cc1C(=O)O)N)N TS59993 [1,1,0,0,0,0|1,0,0]=3 789 B11R1.21 c1cc(c(cc1C(=O)O)N)O TS50979 [1,1,0,0,0,0|1,0,0]=3 790 B11R1.21 c1cc(c(cc1C(=O)O)O)Br TS94884 [1,1,0,0,0,0|0,0,0]=2 791 B11R1.21 c1cc(c(cc1C(=O)O)O)Cl TS09639 [1,1,0,0,0,0|0,0,0]=2 792 B11R1.21 c1cc(c(cc1C(=O)O)O)F TS39500 [1,1,0,0,0,0|0,0,0]=2 793 B11R1.21 c1cc(c(cc1C(=O)O)O)I TS70605 [1,1,0,0,0,0|0,0,0]=2 794 B11R1.21 c1cc(c(cc1C(=O)O)O)N TS70884 [1,1,0,0,0,0|0,0,0]=2 795 B11R1.21 c1cc(c(cc1C(=O)O)O)O TS02549 [1,1,0,0,0,0|0,0,0]=2 796 B11R1.21 c1cc(c(cc1C(=O)O)S)N TS45012 [1,1,0,0,0,0|0,1,0]=3 797 B11R1.21 c1cc(c(cc1C(=O)[O-])F)F TS14506 [1,1,0,0,0,0|1,0,1]=4 798 B11R1.21 c1cc(c(cc1C(=O)[O-])O)O TS51442 [1,1,0,0,0,0|0,0,1]=3 799 B11R1.21 c1cc(c(cc1[N+](=O)[O-])O)Cl TS00923 [1,1,0,0,0,0|1,0,1]=4 800 B11R1.21 c1cc(c(cc1[N+](=O)[O-])O)F TS01016 [1,1,0,0,0,0|1,0,1]=4 801 B11R1.21 c1cc(c(cc1[N+](=O)[O-])O)N TS47449 [1,1,0,0,0,0|1,0,1]=4 802 B11R1.21 c1cc(c(cc1[N+](=O)[O-])O)O TS09749 [1,1,0,0,0,0|1,0,1]=4 803 B11R1.23 CCC(=O)c1cccc(c1)C TS40654 [1,1,0,0,0,0|1,0,0]=3 804 B11R1.23 CCC(=O)c1cccc(c1)Cl TS12612 [1,1,0,0,0,0|2,0,0]=4 805 B11R1.23 CCC(=O)c1cccc(c1)F TS02767 [1,1,0,0,0,0|2,0,0]=4 806 B11R1.23 CCC(=O)c1cccc(c1)N TS40743 [1,1,0,0,0,0|2,0,0]=4 807 B11R1.23 CCC(=O)c1cccc(c1)O TS02798 [1,1,0,0,0,0|1,0,0]=3 808 B11R1.23 CNC(=O)c1cccc(c1)N TS02663 [1,1,0,0,0,0|2,0,0]=4 809 B11R1.23 COC(=O)c1cc(ccn1)Br TS56287 [1,1,0,0,0,0|2,0,0]=4 810 B11R1.23 COC(=O)c1cc(ccn1)Cl TS56293 [1,1,0,0,0,0|2,0,0]=4 811 B11R1.23 COC(=O)c1cc(ccn1)Cl TS56295 [1,1,0,0,0,0|2,0,0]=4 812 B11R1.23 COC(=O)c1cc(ccn1)F TS09129 [1,1,0,0,0,0|2,0,0]=4 813 B11R1.23 COC(=O)c1cc(ccn1)I TS68677 [1,1,0,0,0,0|2,0,0]=4 814 B11R1.23 COC(=O)c1cc(cnc1)Br TS44779 [1,1,0,0,0,0|2,0,0]=4 815 B11R1.23 COC(=O)c1cc(cnc1)Br TS85527 [1,1,0,0,0,0|2,0,0]=4 816 B11R1.23 COC(=O)c1cc(cnc1)F TS86193 [1,1,0,0,0,0|2,0,0]=4 817 B11R1.23 COC(=O)c1cc(cnc1)N TS56298 [1,1,0,0,0,0|2,0,0]=4 818 B11R1.23 COC(=O)c1cc(cnc1)O TS59798 [1,1,0,0,0,0|1,0,0]=3 819 B11R1.23 COC(=O)c1cc[nH]c(=O)c1 TS41248 [1,1,0,0,0,0|1,0,1]=4 820 B11R1.23 COC(=O)c1cccc(c1)Br TS56266 [1,1,0,0,0,0|1,0,0]=3 821 B11R1.23 COC(=O)c1cccc(c1)Cl TS12918 [1,1,0,0,0,0|1,0,0]=3 822 B11R1.23 COC(=O)c1cccc(c1)F TS41351 [1,1,0,0,0,0|1,0,0]=3 823 B11R1.23 COC(=O)c1cccc(c1)I TS70627 [1,1,0,0,0,0|1,0,0]=3 824 B11R1.23 COC(=O)c1cccc(c1)N TS10028 [1,1,0,0,0,0|1,0,0]=3 825 B11R1.23 COC(=O)c1cccc(c1)O TS10128 [1,1,0,0,0,0|0,0,0]=2 826 B11R1.23 COC(=O)c1cccc(n1)Br TS16475 [1,1,0,0,0,0|2,0,0]=4 827 B11R1.23 COC(=O)c1cccc(n1)Cl TS34580 [1,1,0,0,0,0|2,0,0]=4 828 B11R1.23 COC(=O)c1cccc(n1)F TS85361 [1,1,0,0,0,0|2,0,0]=4 829 B11R1.23 COC(=O)c1cccc(n1)I TS68680 [1,1,0,0,0,0|2,0,0]=4 830 B11R1.23 COC(=O)c1cccc(n1)N TS01210 [1,1,0,0,0,0|2,0,0]=4 831 B11R1.23 COC(=O)c1ccnc(c1)Br TS00847 [1,1,0,0,0,0|2,0,0]=4 832 B11R1.23 COC(=O)c1ccnc(c1)Cl TS56251 [1,1,0,0,0,0|2,0,0]=4 833 B11R1.23 COC(=O)c1ccnc(c1)F TS32975 [1,1,0,0,0,0|2,0,0]=4 834 B11R1.23 COC(=O)c1ccnc(c1)I TS68679 [1,1,0,0,0,0|2,0,0]=4 835 B11R1.23 COC(=O)c1ccnc(c1)N TS10155 [1,1,0,0,0,0|2,0,0]=4 836 B11R1.23 Cc1cc(cnc1)C(=O)OC TS02310 [1,1,0,0,0,0|1,0,0]=3 837 B11R1.23 Cc1cc(ncn1)C(=O)OC TS90103 [1,1,0,0,0,0|2,0,0]=4 838 B11R1.23 Cc1cccc(c1)C(=NO)N TS09900 [1,1,0,0,0,0|1,0,0]=3 839 B11R1.23 Cc1cccc(c1)C(=O)C#N TS07086 [1,1,0,0,0,0|1,0,0]=3 840 B11R1.23 Cc1cccc(c1)C(=O)NN TS40877 [1,1,0,0,0,0|1,0,0]=3 841 B11R1.23 Cc1cccc(c1)C(=O)OC TS09871 [1,1,0,0,0,0|0,0,0]=2 842 B11R1.23 Cc1cccc(c1)C(CN)O TS50638 [1,1,0,0,0,0|1,0,1]=4 843 B11R1.23 c1cc(cc(c1)Br)C(=O)C#N TS43720 [1,1,0,0,0,0|2,0,0]=4 844 B11R1.23 c1cc(cc(c1)Br)C(=O)CBr TS47138 [1,1,0,0,0,0|2,0,0]=4 845 B11R1.23 c1cc(cc(c1)Br)C(=O)NN TS22887 [1,1,0,0,0,0|2,0,0]=4 846 B11R1.23 c1cc(cc(c1)Cl)C(=N)NO TS45236 [1,1,0,0,0,0|2,0,0]=4 847 B11R1.23 c1cc(cc(c1)Cl)C(=O)C#N TS42965 [1,1,0,0,0,0|2,0,0]=4 848 B11R1.23 c1cc(cc(c1)Cl)C(=O)CBr TS00836 [1,1,0,0,0,0|2,0,0]=4 849 B11R1.23 c1cc(cc(c1)Cl)C(=O)CCl TS50852 [1,1,0,0,0,0|2,0,0]=4 850 B11R1.23 c1cc(cc(c1)Cl)C(=O)CN TS20094 [1,1,0,0,0,0|2,0,0]=4 851 B11R1.23 c1cc(cc(c1)Cl)C(=O)NN TS45241 [1,1,0,0,0,0|2,0,0]=4 852 B11R1.23 c1cc(cc(c1)Cl)C(=O)OO TS02719 [1,1,0,0,0,0|1,0,0]=3 853 B11R1.23 c1cc(cc(c1)F)C(=O)C#N TS40712 [1,1,0,0,0,0|2,0,0]=4 854 B11R1.23 c1cc(cc(c1)F)C(=O)CBr TS70599 [1,1,0,0,0,0|2,0,0]=4 855 B11R1.23 c1cc(cc(c1)F)C(=O)CCl TS09259 [1,1,0,0,0,0|2,0,0]=4 856 B11R1.23 c1cc(cc(c1)F)C(=O)NN TS10394 [1,1,0,0,0,0|2,0,0]=4 857 B11R1.23 c1cc(cc(c1)N)C(=O)CBr TS44452 [1,1,0,0,0,0|2,0,0]=4 858 B11R1.23 c1cc(cc(c1)N)C(=O)NN TS10046 [1,1,0,0,0,0|2,0,0]=4 859 B11R1.23 c1cc(cc(c1)O)C(=O)CBr TS44634 [1,1,0,0,0,0|1,0,0]=3 860 B11R1.23 c1cc(cc(c1)O)C(=O)NN TS41112 [1,1,0,0,0,0|1,0,0]=3 861 B11R1.23 c1cc(cc(c1)O)C(CN)O TS16253 [1,1,0,0,0,0|1,0,1]=4 862 B11R1.23 c1cc(cc(c1)O)C(CN)O TS41280 [1,1,0,0,0,0|1,0,1]=4 863 B11R1.74 B(c1cc(cc(c1)Br)C)(O)O TS21803 [1,1,0,0,0,0|1,0,1]=4 864 B11R1.74 B(c1cc(cc(c1)C)C)(O)O TS65816 [1,1,0,0,0,0|1,0,1]=4 865 B11R1.74 B(c1cc(cc(c1)F)C)(O)O TS16369 [1,1,0,0,0,0|1,0,1]=4 866 B11R1.74 CC(=O)c1cc(cc(c1)Br)Br TS02193 [1,1,0,0,0,0|2,0,0]=4 867 B11R1.74 CC(=O)c1cc(cc(c1)Cl)Cl TS65783 [1,1,0,0,0,0|2,0,0]=4 868 B11R1.74 CC(=O)c1cc(cc(c1)Cl)F TS09350 [1,1,0,0,0,0|2,0,0]=4 869 B11R1.74 CC(=O)c1cc(cc(c1)F)F TS08667 [1,1,0,0,0,0|2,0,0]=4 870 B11R1.74 CC(=O)c1cc(cc(c1)O)O TS39572 [1,1,0,0,0,0|1,0,0]=3 871 B11R1.74 Cc1cc(cc(c1)Br)[N+](=O)[O-] TS59900 [1,1,0,0,0,0|1,0,1]=4 872 B11R1.74 Cc1cc(cc(c1)C(=N)N)C TS40672 [1,1,0,0,0,0|2,0,0]=4 873 B11R1.74 Cc1cc(cc(c1)C(=O)C)C TS65809 [1,1,0,0,0,0|1,0,0]=3 874 B11R1.74 Cc1cc(cc(c1)C(=O)Cl)C TS65812 [1,1,0,0,0,0|1,0,0]=3 875 B11R1.74 Cc1cc(cc(c1)C(=O)O)C TS16729 [1,1,0,0,0,0|0,0,0]=2 876 B11R1.74 Cc1cc(cc(c1)Cl)[N+](=O)[O-] TS13073 [1,1,0,0,0,0|1,0,1]=4 877 B11R1.74 Cc1cc(cc(c1)F)C(=O)O TS70586 [1,1,0,0,0,0|0,0,0]=2 878 B11R1.74 Cc1cc(cc(c1)F)[N+](=O)[O-] TS70588 [1,1,0,0,0,0|1,0,1]=4 879 B11R1.74 Cc1cc(cc(c1)N(=O)=O)C TS10038 [1,1,0,0,0,0|1,0,1]=4 880 B11R1.74 Cc1cc(cc(c1)N)C(=O)O TS65474 [1,1,0,0,0,0|0,0,0]=2 881 B11R1.74 Cc1cc(cc(c1)[N+](=O)[O-])N TS65099 [1,1,0,0,0,0|1,0,1]=4 882 B11R1.74 Cc1cc(cc(n1)C(=O)O)Br TS44774 [1,1,0,0,0,0|1,0,0]=3 883 B11R1.74 Cc1cc(cc(n1)C(=O)O)Cl TS13066 [1,1,0,0,0,0|1,0,0]=3 884 B11R1.74 Cc1cc(cc(n1)C)C(=O)O TS10020 [1,1,0,0,0,0|1,0,0]=3 885 B11R1.74 Cc1cc(cc(n1)Cl)C(=O)Cl TS07938 [1,1,0,0,0,0|2,0,0]=4 886 B11R1.74 Cc1cc(cc(n1)Cl)C(=O)O TS00932 [1,1,0,0,0,0|1,0,0]=3 887 B11R1.74 Cc1cc(cc(n1)N)C(=O)O TS88197 [1,1,0,0,0,0|1,0,0]=3 888 B11R1.74 Cc1cc(nc(c1)Cl)C(=O)O TS08424 [1,1,0,0,0,0|1,0,0]=3 889 B11R1.74 Cc1cc(oc(=O)c1)C(=O)N TS41250 [1,1,0,0,0,0|2,0,0]=4 890 B11R1.74 c1c(cc(cc1Br)Br)C(=O)N TS54196 [1,1,0,0,0,0|2,0,0]=4 891 B11R1.74 c1c(cc(cc1Br)Br)C(=O)O TS02575 [1,1,0,0,0,0|1,0,0]=3 892 B11R1.74 c1c(cc(cc1Br)I)C(=O)O TS09339 [1,1,0,0,0,0|1,0,0]=3 893 B11R1.74 c1c(cc(cc1Cl)Br)C(=O)O TS32930 [1,1,0,0,0,0|1,0,0]=3 894 B11R1.74 c1c(cc(cc1Cl)Cl)C(=O)Cl TS20795 [1,1,0,0,0,0|2,0,0]=4 895 B11R1.74 c1c(cc(cc1Cl)Cl)C(=O)N TS16277 [1,1,0,0,0,0|2,0,0]=4 896 B11R1.74 c1c(cc(cc1Cl)Cl)C(=O)O TS00127 [1,1,0,0,0,0|1,0,0]=3 897 B11R1.74 c1c(cc(cc1Cl)I)C(=O)O TS09359 [1,1,0,0,0,0|1,0,0]=3 898 B11R1.74 c1c(cc(cc1F)Br)C(=O)Cl TS26100 [1,1,0,0,0,0|2,0,0]=4 899 B11R1.74 c1c(cc(cc1F)Br)C(=O)O TS65928 [1,1,0,0,0,0|1,0,0]=3 900 B11R1.74 c1c(cc(cc1F)Cl)C(=O)O TS09353 [1,1,0,0,0,0|1,0,0]=3 901 B11R1.74 c1c(cc(cc1F)F)C(=O)Cl TS13936 [1,1,0,0,0,0|2,0,0]=4 902 B11R1.74 c1c(cc(cc1F)F)C(=O)N TS41743 [1,1,0,0,0,0|2,0,0]=4 903 B11R1.74 c1c(cc(cc1F)F)C(=O)O TS65800 [1,1,0,0,0,0|1,0,0]=3 904 B11R1.74 c1c(cc(cc1F)F)C(=O)[O-] TS14507 [1,1,0,0,0,0|1,0,1]=4 905 B11R1.74 c1c(cc(cc1F)I)C(=O)O TS07838 [1,1,0,0,0,0|1,0,0]=3 906 B11R1.74 c1c(cc(cc1I)I)C(=O)O TS02365 [1,1,0,0,0,0|1,0,0]=3 907 B11R1.74 c1c(cc(cc1N)Cl)C(=O)O TS22769 [1,1,0,0,0,0|1,0,0]=3 908 B11R1.74 c1c(cc(cc1N)F)C(=O)N TS02210 [1,1,0,0,0,0|2,0,0]=4 909 B11R1.74 c1c(cc(cc1N)N)C(=O)O TS00125 [1,1,0,0,0,0|1,0,0]=3 910 B11R1.74 c1c(cc(cc1N)N)C(=O)O TS23945 [1,1,0,0,0,0|1,0,0]=3 911 B11R1.74 c1c(cc(cc1O)Cl)C(=O)O TS13254 [1,1,0,0,0,0|0,0,0]=2 912 B11R1.74 c1c(cc(cc1O)O)C(=O)N TS10292 [1,1,0,0,0,0|1,0,0]=3 913 B11R1.74 c1c(cc(cc1O)O)C(=O)O TS16724 [1,1,0,0,0,0|0,0,0]=2 914 B11R1.74 c1c(cc(nc1Br)Br)C(=O)O TS00696 [1,1,0,0,0,0|2,0,0]=4 915 B11R1.74 c1c(cc(nc1Cl)Cl)C(=O)O TS47303 [1,1,0,0,0,0|2,0,0]=4 916 B11R1.74 c1c(cc(nc1F)F)C(=O)O TS11096 [1,1,0,0,0,0|2,0,0]=4 917 B11R1.74 c1c(cc(nc1O)Cl)C(=O)N TS13262 [1,1,0,0,0,0|2,0,0]=4 918 B11R1.74 c1c(cc(nc1O)O)C(=O)O TS10558 [1,1,0,0,0,0|1,0,0]=3 919 B11R1.155 Cc1cc(ccn1)S(=O)(=O)O TS45611 [1,1,0,0,0,0|2,0,0]=4 920 B11R1.155 Cc1cc(cnc1)S(=O)(=O)O TS01163 [1,1,0,0,0,0|2,0,0]=4 921 B11R1.155 Cc1cccc(c1)S(=O)(=O)Cl TS51202 [1,1,0,0,0,0|1,0,1]=4 922 B11R1.155 Cc1cccc(n1)S(=O)(=O)O TS45610 [1,1,0,0,0,0|2,0,0]=4 923 B11R1.155 Cc1ccnc(c1)S(=O)(=O)O TS45615 [1,1,0,0,0,0|2,0,0]=4 924 B11R1.155 c1cc(cc(c1)Cl)P(=O)(O)O TS17569 [1,1,0,0,0,0|2,0,0]=4 925 B11R1.155 c1cc(cc(c1)P(=O)(O)O)O TS13425 [1,1,0,0,0,0|1,0,0]=3 926 B11R1.155 c1cc(cc(c1)S(=O)(=O)O)N TS45608 [1,1,0,0,0,0|2,0,0]=4 927 B11R1.159 B(c1cccc(c1C)C)(O)O TS47168 [1,1,0,0,0,0|1,0,1]=4 928 B11R1.159 B(c1cccc(c1F)C)(O)O TS46400 [1,1,0,0,0,0|1,0,1]=4 929 B11R1.159 B(c1cccc(c1O)C)(O)O TS10105 [1,1,0,0,0,0|1,0,1]=4 930 B11R1.159 CC(=O)c1cccc(c1Cl)Cl TS50849 [1,1,0,0,0,0|2,0,0]=4 931 B11R1.159 CC(=O)c1cccc(c1F)Br TS08677 [1,1,0,0,0,0|2,0,0]=4 932 B11R1.159 CC(=O)c1cccc(c1F)F TS10653 [1,1,0,0,0,0|2,0,0]=4 933 B11R1.159 CC(=O)c1cccc(c1N)O TS41015 [1,1,0,0,0,0|1,0,0]=3 934 B11R1.159 CC(=O)c1cccc(c1O)Cl TS46713 [1,1,0,0,0,0|2,0,0]=4 935 B11R1.159 CC(=O)c1cccc(c1O)N TS94037 [1,1,0,0,0,0|2,0,0]=4 936 B11R1.159 CC(=O)c1cccc(c1O)N TS94220 [1,1,0,0,0,0|2,0,0]=4 937 B11R1.159 CC(=O)c1cccc(c1O)O TS46700 [1,1,0,0,0,0|1,0,0]=3 938 B11R1.159 Cc1c(cccc1Br)C(=O)O TS65906 [1,1,0,0,0,0|1,0,0]=3 939 B11R1.159 Cc1c(cccc1Cl)C(=O)O TS12927 [1,1,0,0,0,0|1,0,0]=3 940 B11R1.159 Cc1c(cccc1F)C(=O)O TS70571 [1,1,0,0,0,0|1,0,0]=3 941 B11R1.159 Cc1c(cccc1I)C(=O)O TS29741 [1,1,0,0,0,0|1,0,0]=3 942 B11R1.159 Cc1c(cccc1N)C(=O)O TS22768 [1,1,0,0,0,0|1,0,0]=3 943 B11R1.159 Cc1c(cccc1O)C(=O)O TS02787 [1,1,0,0,0,0|0,0,0]=2 944 B11R1.159 Cc1c(cccc1O)[N+](=O)[O-] TS01061 [1,1,0,0,0,0|1,0,1]=4 945 B11R1.159 Cc1cccc(c1Br)C(=O)O TS08307 [1,1,0,0,0,0|0,0,0]=2 946 B11R1.159 Cc1cccc(c1Br)[N+](=O)[O-] TS08313 [1,1,0,0,0,0|1,0,1]=4 947 B11R1.159 Cc1cccc(c1C)C(=O)C TS07466 [1,1,0,0,0,0|1,0,0]=3 948 B11R1.159 Cc1cccc(c1C)C(=O)Cl TS12620 [1,1,0,0,0,0|1,0,0]=3 949 B11R1.159 Cc1cccc(c1C)C(=O)N TS40746 [1,1,0,0,0,0|1,0,0]=3 950 B11R1.159 Cc1cccc(c1C)C(=O)O TS47166 [1,1,0,0,0,0|0,0,0]=2 951 B11R1.159 Cc1cccc(c1C)C(C)O TS09918 [1,1,0,0,0,0|1,0,1]=4 952 B11R1.159 Cc1cccc(c1C)[N+](=O)[O-] TS02867 [1,1,0,0,0,0|1,0,1]=4 953 B11R1.159 Cc1cccc(c1Cl)C(=O)O TS55200 [1,1,0,0,0,0|0,0,0]=2 954 B11R1.159 Cc1cccc(c1Cl)[N+](=O)[O-] TS09268 [1,1,0,0,0,0|1,0,1]=4 955 B11R1.159 Cc1cccc(c1F)C(=O)N TS10309 [1,1,0,0,0,0|1,0,0]=3 956 B11R1.159 Cc1cccc(c1F)C(=O)O TS08400 [1,1,0,0,0,0|0,0,0]=2 957 B11R1.159 Cc1cccc(c1F)[N+](=O)[O-] TS08408 [1,1,0,0,0,0|1,0,1]=4 958 B11R1.159 Cc1cccc(c1I)C(=O)O TS29735 [1,1,0,0,0,0|0,0,0]=2 959 B11R1.159 Cc1cccc(c1N)C(=O)O TS47376 [1,1,0,0,0,0|0,0,0]=2 960 B11R1.159 Cc1cccc(c1N)[N+](=O)[O-] TS59973 [1,1,0,0,0,0|1,0,1]=4 961 B11R1.159 Cc1cccc(c1O)C(=O)O TS10143 [1,1,0,0,0,0|0,0,0]=2 962 B11R1.159 Cc1cccc(c1O)C(=O)[O-] TS13445 [1,1,0,0,0,0|0,0,1]=3 963 B11R1.159 Cc1cccc(c1O)[N+](=O)[O-] TS01280 [1,1,0,0,0,0|1,0,1]=4 964 B11R1.159 Cn1cccc(c1=O)C(=O)O TS86053 [1,1,0,0,0,0|1,0,0]=3 965 B11R1.159 c1c(c(c(cn1)Br)N)C(=O)O TS22160 [1,1,0,0,0,0|2,0,0]=4 966 B11R1.159 c1c(c(c(cn1)Cl)Cl)C(=O)O TS51385 [1,1,0,0,0,0|2,0,0]=4 967 B11R1.159 c1c(c(c(cn1)Cl)N)C(=O)O TS13257 [1,1,0,0,0,0|2,0,0]=4 968 B11R1.159 c1cc(c(c(c1)Br)Cl)C(=O)O TS25786 [1,1,0,0,0,0|1,0,0]=3 969 B11R1.159 c1cc(c(c(c1)Br)F)C(=O)O TS16864 [1,1,0,0,0,0|1,0,0]=3 970 B11R1.159 c1cc(c(c(c1)Br)N)C(=O)O TS08283 [1,1,0,0,0,0|1,0,0]=3 971 B11R1.159 c1cc(c(c(c1)Br)O)C(=O)O TS65903 [1,1,0,0,0,0|1,0,0]=3 972 B11R1.159 c1cc(c(c(c1)Cl)Cl)C(=O)Cl TS07690 [1,1,0,0,0,0|2,0,0]=4 973 B11R1.159 c1cc(c(c(c1)Cl)Cl)C(=O)N TS16281 [1,1,0,0,0,0|2,0,0]=4 974 B11R1.159 c1cc(c(c(c1)Cl)Cl)C(=O)O TS17215 [1,1,0,0,0,0|1,0,0]=3 975 B11R1.159 c1cc(c(c(c1)Cl)F)C(=O)Cl TS17599 [1,1,0,0,0,0|2,0,0]=4 976 B11R1.159 c1cc(c(c(c1)Cl)F)C(=O)F TS13935 [1,1,0,0,0,0|2,0,0]=4 977 B11R1.159 c1cc(c(c(c1)Cl)F)C(=O)N TS13405 [1,1,0,0,0,0|2,0,0]=4 978 B11R1.159 c1cc(c(c(c1)Cl)F)C(=O)O TS55323 [1,1,0,0,0,0|1,0,0]=3 979 B11R1.159 c1cc(c(c(c1)Cl)N)C(=O)O TS02713 [1,1,0,0,0,0|1,0,0]=3 980 B11R1.159 c1cc(c(c(c1)Cl)O)C(=O)O TS13252 [1,1,0,0,0,0|1,0,0]=3 981 B11R1.159 c1cc(c(c(c1)F)Br)C(=O)O TS08298 [1,1,0,0,0,0|1,0,0]=3 982 B11R1.159 c1cc(c(c(c1)F)Cl)C(=O)O TS08825 [1,1,0,0,0,0|1,0,0]=3 983 B11R1.159 c1cc(c(c(c1)F)F)C(=O)Cl TS13934 [1,1,0,0,0,0|2,0,0]=4 984 B11R1.159 c1cc(c(c(c1)F)F)C(=O)N TS41747 [1,1,0,0,0,0|2,0,0]=4 985 B11R1.159 c1cc(c(c(c1)F)F)C(=O)O TS41848 [1,1,0,0,0,0|1,0,0]=3 986 B11R1.159 c1cc(c(c(c1)F)I)C(=O)O TS70565 [1,1,0,0,0,0|1,0,0]=3 987 B11R1.159 c1cc(c(c(c1)F)N)C(=O)O TS47360 [1,1,0,0,0,0|1,0,0]=3 988 B11R1.159 c1cc(c(c(c1)F)O)C(=O)O TS59690 [1,1,0,0,0,0|1,0,0]=3 989 B11R1.159 c1cc(c(c(c1)I)F)C(=O)O TS09287 [1,1,0,0,0,0|1,0,0]=3 990 B11R1.159 c1cc(c(c(c1)I)N)C(=O)O TS68678 [1,1,0,0,0,0|1,0,0]=3 991 B11R1.159 c1cc(c(c(c1)N)Cl)C(=O)O TS02627 [1,1,0,0,0,0|1,0,0]=3 992 B11R1.159 c1cc(c(c(c1)N)F)C(=O)O TS08861 [1,1,0,0,0,0|1,0,0]=3 993 B11R1.159 c1cc(c(c(c1)N)N)C(=O)N TS65011 [1,1,0,0,0,0|2,0,0]=4 994 B11R1.159 c1cc(c(c(c1)N)O)C(=O)O TS39705 [1,1,0,0,0,0|1,0,0]=3 995 B11R1.159 c1cc(c(c(c1)O)Br)[N+](=O)[O-] TS22760 [1,1,0,0,0,0|1,0,1]=4 996 B11R1.159 c1cc(c(c(c1)O)Cl)[N+](=O)[O-] TS55207 [1,1,0,0,0,0|1,0,1]=4 997 B11R1.159 c1cc(c(c(c1)O)F)[N+](=O)[O-] TS08406 [1,1,0,0,0,0|1,0,1]=4 998 B11R1.159 c1cc(c(c(c1)O)N)C(=O)O TS50976 [1,1,0,0,0,0|0,0,0]=2 999 B11R1.159 c1cc(c(c(c1)O)N)C(=O)O TS65023 [1,1,0,0,0,0|0,0,0]=2 1000 B11R1.159 c1cc(c(c(c1)O)N)[N+](=O)[O-] TS00725 [1,1,0,0,0,0|1,0,1]=4 1001 B11R1.159 c1cc(c(c(c1)O)O)C(=O)O TS47161 [1,1,0,0,0,0|0,0,0]=2 1002 B11R1.159 c1cnc(c(c1C(=O)O)Cl)Br TS85394 [1,1,0,0,0,0|2,0,0]=4 1003 B11R1.159 c1cnc(c(c1C(=O)O)Cl)Cl TS47152 [1,1,0,0,0,0|2,0,0]=4 1004 B11R1.159 c1cnc(c(c1C(=O)O)F)Cl TS65040 [1,1,0,0,0,0|2,0,0]=4 1005 B11R1.159 c1cnc(c(c1C(=O)O)F)F TS11097 [1,1,0,0,0,0|2,0,0]=4 1006 B11R1.159 c1cnc(c(c1C(=O)O)F)I TS30363 [1,1,0,0,0,0|2,0,0]=4 1007 B11R1.159 c1cnc(c(c1C(=O)O)I)Br TS77711 [1,1,0,0,0,0|2,0,0]=4 1008 B11R1.159 c1cnc(c(c1C(=O)O)O)Cl TS45690 [1,1,0,0,0,0|2,0,0]=4 1009 B11R1.159 c1cnc(c(c1N)Cl)C(=O)O TS13260 [1,1,0,0,0,0|2,0,0]=4 1010 B11R1.167 B(c1cc(ccc1C)C)(O)O TS40812 [1,1,0,0,0,0|1,0,1]=4 1011 B11R1.167 B(c1cc(ccc1Cl)C)(O)O TS46387 [1,1,0,0,0,0|1,0,1]=4 1012 B11R1.167 B(c1cc(ccc1F)C)(O)O TS01009 [1,1,0,0,0,0|1,0,1]=4 1013 B11R1.167 CC(=O)c1cc(ccc1Br)Br TS31290 [1,1,0,0,0,0|2,0,0]=4 1014 B11R1.167 CC(=O)c1cc(ccc1Br)F TS08814 [1,1,0,0,0,0|2,0,0]=4 1015 B11R1.167 CC(=O)c1cc(ccc1Cl)Cl TS47257 [1,1,0,0,0,0|2,0,0]=4 1016 B11R1.167 CC(=O)c1cc(ccc1Cl)F TS13263 [1,1,0,0,0,0|2,0,0]=4 1017 B11R1.167 CC(=O)c1cc(ccc1Cl)N TS12725 [1,1,0,0,0,0|2,0,0]=4 1018 B11R1.167 CC(=O)c1cc(ccc1F)Br TS08178 [1,1,0,0,0,0|2,0,0]=4 1019 B11R1.167 CC(=O)c1cc(ccc1F)F TS00671 [1,1,0,0,0,0|2,0,0]=4 1020 B11R1.167 CC(=O)c1cc(ccc1F)O TS41349 [1,1,0,0,0,0|1,0,0]=3 1021 B11R1.167 CC(=O)c1cc(ccc1O)Br TS71430 [1,1,0,0,0,0|2,0,0]=4 1022 B11R1.167 CC(=O)c1cc(ccc1O)Cl TS71491 [1,1,0,0,0,0|2,0,0]=4 1023 B11R1.167 CC(=O)c1cc(ccc1O)F TS71535 [1,1,0,0,0,0|2,0,0]=4 1024 B11R1.167 CC(=O)c1cc(ccc1O)O TS65012 [1,1,0,0,0,0|1,0,0]=3 1025 B11R1.167 Cc1cc(c(cn1)N)C(=O)O TS88670 [1,1,0,0,0,0|1,0,0]=3 1026 B11R1.167 Cc1cc(c(nc1)Cl)C(=O)O TS13067 [1,1,0,0,0,0|1,0,0]=3 1027 B11R1.167 Cc1cc(c(nc1)N)C(=O)O TS47442 [1,1,0,0,0,0|1,0,0]=3 1028 B11R1.167 Cc1ccc(c(c1)C(=O)C)C TS07477 [1,1,0,0,0,0|1,0,0]=3 1029 B11R1.167 Cc1ccc(c(c1)C(=O)C)F TS65414 [1,1,0,0,0,0|1,0,0]=3 1030 B11R1.167 Cc1ccc(c(c1)C(=O)Cl)F TS13266 [1,1,0,0,0,0|1,0,0]=3 1031 B11R1.167 Cc1ccc(c(c1)C(=O)N)N TS09882 [1,1,0,0,0,0|1,0,0]=3 1032 B11R1.167 Cc1ccc(c(c1)C(=O)N)O TS41004 [1,1,0,0,0,0|1,0,0]=3 1033 B11R1.167 Cc1ccc(c(c1)C(=O)O)Br TS44641 [1,1,0,0,0,0|0,0,0]=2 1034 B11R1.167 Cc1ccc(c(c1)C(=O)O)C TS39633 [1,1,0,0,0,0|0,0,0]=2 1035 B11R1.167 Cc1ccc(c(c1)C(=O)O)Cl TS00913 [1,1,0,0,0,0|0,0,0]=2 1036 B11R1.167 Cc1ccc(c(c1)C(=O)O)F TS01007 [1,1,0,0,0,0|0,0,0]=2 1037 B11R1.167 Cc1ccc(c(c1)C(=O)O)I TS01076 [1,1,0,0,0,0|0,0,0]=2 1038 B11R1.167 Cc1ccc(c(c1)C(=O)O)N TS93654 [1,1,0,0,0,0|0,0,0]=2 1039 B11R1.167 Cc1ccc(c(c1)C(=O)O)O TS39669 [1,1,0,0,0,0|0,0,0]=2 1040 B11R1.167 Cc1ccc(c(c1)C(C)O)C TS40905 [1,1,0,0,0,0|1,0,1]=4 1041 B11R1.167 Cc1ccc(c(c1)[N+](=O)[O-])Br TS08749 [1,1,0,0,0,0|1,0,1]=4 1042 B11R1.167 Cc1ccc(c(c1)[N+](=O)[O-])C TS10012 [1,1,0,0,0,0|1,0,1]=4 1043 B11R1.167 Cc1ccc(c(c1)[N+](=O)[O-])Cl TS13074 [1,1,0,0,0,0|1,0,1]=4 1044 B11R1.167 Cc1ccc(c(c1)[N+](=O)[O-])F TS71131 [1,1,0,0,0,0|1,0,1]=4 1045 B11R1.167 Cc1ccc(c(c1)[N+](=O)[O-])I TS07801 [1,1,0,0,0,0|1,0,1]=4 1046 B11R1.167 Cc1ccc(c(c1)[N+](=O)[O-])N TS39761 [1,1,0,0,0,0|1,0,1]=4 1047 B11R1.167 Cc1ccc(c(c1)[N+](=O)[O-])O TS41245 [1,1,0,0,0,0|1,0,1]=4 1048 B11R1.167 Cc1ccc(cc1C(=O)Cl)F TS45555 [1,1,0,0,0,0|2,0,0]=4 1049 B11R1.167 Cc1ccc(cc1C(=O)N)F TS10308 [1,1,0,0,0,0|2,0,0]=4 1050 B11R1.167 Cc1ccc(cc1C(=O)O)Br TS09795 [1,1,0,0,0,0|1,0,0]=3 1051 B11R1.167 Cc1ccc(cc1C(=O)O)Cl TS59724 [1,1,0,0,0,0|1,0,0]=3 1052 B11R1.167 Cc1ccc(cc1C(=O)O)F TS71548 [1,1,0,0,0,0|1,0,0]=3 1053 B11R1.167 Cc1ccc(cc1C(=O)O)I TS71573 [1,1,0,0,0,0|1,0,0]=3 1054 B11R1.167 Cc1ccc(cc1C(=O)O)N TS10034 [1,1,0,0,0,0|1,0,0]=3 1055 B11R1.167 Cc1ccc(cc1C(=O)O)O TS08754 [1,1,0,0,0,0|0,0,0]=2 1056 B11R1.167 Cc1ccc(cc1[N+](=O)[O-])O TS01859 [1,1,0,0,0,0|1,0,1]=4 1057 B11R1.167 Cc1ncc(c(n1)C(=O)O)Br TS55452 [1,1,0,0,0,0|2,0,0]=4 1058 B11R1.167 c1c(c(cnc1Br)Br)C(=O)O TS34266 [1,1,0,0,0,0|2,0,0]=4 1059 B11R1.167 c1c(c(cnc1Br)N)C(=O)O TS85822 [1,1,0,0,0,0|2,0,0]=4 1060 B11R1.167 c1c(c(cnc1Cl)Br)C(=O)O TS16984 [1,1,0,0,0,0|2,0,0]=4 1061 B11R1.167 c1c(c(cnc1Cl)Cl)C(=O)O TS00661 [1,1,0,0,0,0|2,0,0]=4 1062 B11R1.167 c1c(c(cnc1Cl)N)C(=O)O TS71357 [1,1,0,0,0,0|2,0,0]=4 1063 B11R1.167 c1c(c(cnc1F)N)C(=O)O TS10650 [1,1,0,0,0,0|2,0,0]=4 1064 B11R1.167 c1c(cnc(c1C(=O)O)Br)Br TS59583 [1,1,0,0,0,0|2,0,0]=4 1065 B11R1.167 c1c(cnc(c1C(=O)O)Br)Cl TS55120 [1,1,0,0,0,0|2,0,0]=4 1066 B11R1.167 c1c(cnc(c1C(=O)O)Cl)Br TS16986 [1,1,0,0,0,0|2,0,0]=4 1067 B11R1.167 c1c(cnc(c1C(=O)O)Cl)Cl TS00663 [1,1,0,0,0,0|2,0,0]=4 1068 B11R1.167 c1c(cnc(c1C(=O)O)Cl)F TS55246 [1,1,0,0,0,0|2,0,0]=4 1069 B11R1.167 c1c(cnc(c1C(=O)O)Cl)N TS13259 [1,1,0,0,0,0|2,0,0]=4 1070 B11R1.167 c1c(cnc(c1C(=O)O)F)Br TS71423 [1,1,0,0,0,0|2,0,0]=4 1071 B11R1.167 c1c(cnc(c1C(=O)O)F)Cl TS09844 [1,1,0,0,0,0|2,0,0]=4 1072 B11R1.167 c1c(cnc(c1C(=O)O)F)F TS42019 [1,1,0,0,0,0|2,0,0]=4 1073 B11R1.167 c1c(cnc(c1C(=O)O)N)Br TS47432 [1,1,0,0,0,0|2,0,0]=4 1074 B11R1.167 c1c(cnc(c1C(=O)O)N)Br TS86237 [1,1,0,0,0,0|2,0,0]=4 1075 B11R1.167 c1c(cnc(c1C(=O)O)O)Br TS09780 [1,1,0,0,0,0|2,0,0]=4 1076 B11R1.167 c1c(cnc(c1C(=O)O)O)Cl TS71493 [1,1,0,0,0,0|2,0,0]=4 1077 B11R1.167 c1c(cnc(c1C(=O)O)O)F TS10827 [1,1,0,0,0,0|2,0,0]=4 1078 B11R1.167 c1cc(c(cc1Br)C(=O)Cl)Cl TS28542 [1,1,0,0,0,0|2,0,0]=4 1079 B11R1.167 c1cc(c(cc1Br)C(=O)N)O TS09821 [1,1,0,0,0,0|2,0,0]=4 1080 B11R1.167 c1cc(c(cc1Br)C(=O)O)Br TS47248 [1,1,0,0,0,0|1,0,0]=3 1081 B11R1.167 c1cc(c(cc1Br)C(=O)O)Cl TS93544 [1,1,0,0,0,0|1,0,0]=3 1082 B11R1.167 c1cc(c(cc1Br)C(=O)O)F TS71420 [1,1,0,0,0,0|1,0,0]=3 1083 B11R1.167 c1cc(c(cc1Br)C(=O)O)I TS09784 [1,1,0,0,0,0|1,0,0]=3 1084 B11R1.167 c1cc(c(cc1Br)C(=O)O)N TS44778 [1,1,0,0,0,0|1,0,0]=3 1085 B11R1.167 c1cc(c(cc1Br)C(=O)O)O TS22157 [1,1,0,0,0,0|1,0,0]=3 1086 B11R1.167 c1cc(c(cc1Br)C(=O)O)S TS25340 [1,1,0,0,0,0|1,0,0]=3 1087 B11R1.167 c1cc(c(cc1Cl)C(=O)Cl)Cl TS00659 [1,1,0,0,0,0|2,0,0]=4 1088 B11R1.167 c1cc(c(cc1Cl)C(=O)Cl)F TS17600 [1,1,0,0,0,0|2,0,0]=4 1089 B11R1.167 c1cc(c(cc1Cl)C(=O)N)F TS13401 [1,1,0,0,0,0|2,0,0]=4 1090 B11R1.167 c1cc(c(cc1Cl)C(=O)N)N TS45231 [1,1,0,0,0,0|2,0,0]=4 1091 B11R1.167 c1cc(c(cc1Cl)C(=O)N)O TS39772 [1,1,0,0,0,0|2,0,0]=4 1092 B11R1.167 c1cc(c(cc1Cl)C(=O)O)Br TS55118 [1,1,0,0,0,0|1,0,0]=3 1093 B11R1.167 c1cc(c(cc1Cl)C(=O)O)Cl TS17212 [1,1,0,0,0,0|1,0,0]=3 1094 B11R1.167 c1cc(c(cc1Cl)C(=O)O)F TS09840 [1,1,0,0,0,0|1,0,0]=3 1095 B11R1.167 c1cc(c(cc1Cl)C(=O)O)I TS07824 [1,1,0,0,0,0|1,0,0]=3 1096 B11R1.167 c1cc(c(cc1Cl)C(=O)O)N TS00775 [1,1,0,0,0,0|1,0,0]=3 1097 B11R1.167 c1cc(c(cc1Cl)C(=O)O)N TS43384 [1,1,0,0,0,0|1,0,0]=3 1098 B11R1.167 c1cc(c(cc1Cl)C(=O)O)O TS13255 [1,1,0,0,0,0|1,0,0]=3 1099 B11R1.167 c1cc(c(cc1Cl)C(=O)O)S TS50836 [1,1,0,0,0,0|1,0,0]=3 1100 B11R1.167 c1cc(c(cc1F)C(=O)Cl)Br TS26098 [1,1,0,0,0,0|2,0,0]=4 1101 B11R1.167 c1cc(c(cc1F)C(=O)Cl)Cl TS17597 [1,1,0,0,0,0|2,0,0]=4 1102 B11R1.167 c1cc(c(cc1F)C(=O)N)Cl TS13404 [1,1,0,0,0,0|2,0,0]=4 1103 B11R1.167 c1cc(c(cc1F)C(=O)N)F TS41741 [1,1,0,0,0,0|2,0,0]=4 1104 B11R1.167 c1cc(c(cc1F)C(=O)N)N TS00785 [1,1,0,0,0,0|2,0,0]=4 1105 B11R1.167 c1cc(c(cc1F)C(=O)O)Br TS60266 [1,1,0,0,0,0|1,0,0]=3 1106 B11R1.167 c1cc(c(cc1F)C(=O)O)Cl TS09282 [1,1,0,0,0,0|1,0,0]=3 1107 B11R1.167 c1cc(c(cc1F)C(=O)O)F TS00676 [1,1,0,0,0,0|1,0,0]=3 1108 B11R1.167 c1cc(c(cc1F)C(=O)O)I TS01073 [1,1,0,0,0,0|1,0,0]=3 1109 B11R1.167 c1cc(c(cc1F)C(=O)O)N TS08951 [1,1,0,0,0,0|1,0,0]=3 1110 B11R1.167 c1cc(c(cc1F)C(=O)O)O TS10648 [1,1,0,0,0,0|1,0,0]=3 1111 B11R1.167 c1cc(c(cc1F)C(=O)O)S TS13136 [1,1,0,0,0,0|1,0,0]=3 1112 B11R1.167 c1cc(c(cc1I)C(=O)O)Br TS77657 [1,1,0,0,0,0|1,0,0]=3 1113 B11R1.167 c1cc(c(cc1I)C(=O)O)Cl TS65397 [1,1,0,0,0,0|1,0,0]=3 1114 B11R1.167 c1cc(c(cc1I)C(=O)O)F TS01001 [1,1,0,0,0,0|1,0,0]=3 1115 B11R1.167 c1cc(c(cc1I)C(=O)O)I TS66956 [1,1,0,0,0,0|1,0,0]=3 1116 B11R1.167 c1cc(c(cc1I)C(=O)O)N TS68682 [1,1,0,0,0,0|1,0,0]=3 1117 B11R1.167 c1cc(c(cc1I)C(=O)O)O TS29987 [1,1,0,0,0,0|1,0,0]=3 1118 B11R1.167 c1cc(c(cc1N)C(=O)O)Br TS71352 [1,1,0,0,0,0|1,0,0]=3 1119 B11R1.167 c1cc(c(cc1N)C(=O)O)Cl TS13075 [1,1,0,0,0,0|1,0,0]=3 1120 B11R1.167 c1cc(c(cc1N)C(=O)O)Cl TS30728 [1,1,0,0,0,0|1,0,0]=3 1121 B11R1.167 c1cc(c(cc1N)C(=O)O)N TS41122 [1,1,0,0,0,0|1,0,0]=3 1122 B11R1.167 c1cc(c(cc1N)C(=O)O)O TS71390 [1,1,0,0,0,0|1,0,0]=3 1123 B11R1.167 c1cc(c(cc1N)C(=O)[O-])O TS45912 [1,1,0,0,0,0|1,0,1]=4 1124 B11R1.167 c1cc(c(cc1O)C(=O)O)Br TS22158 [1,1,0,0,0,0|0,0,0]=2 1125 B11R1.167 c1cc(c(cc1O)C(=O)O)F TS00998 [1,1,0,0,0,0|0,0,0]=2 1126 B11R1.167 c1cc(c(cc1O)C(=O)O)I TS29985 [1,1,0,0,0,0|0,0,0]=2 1127 B11R1.167 c1cc(c(cc1O)C(=O)O)N TS03332 [1,1,0,0,0,0|0,0,0]=2 1128 B11R1.167 c1cc(c(cc1O)C(=O)O)O TS39630 [1,1,0,0,0,0|0,0,0]=2 1129 B11R1.167 c1cc(c(cc1O)C(=O)[O-])O TS13772 [1,1,0,0,0,0|0,0,1]=3 1130 B11R1.167 c1cc(c(cc1O)[N+](=O)[O-])Br TS70978 [1,1,0,0,0,0|1,0,1]=4 1131 B11R1.167 c1cc(c(cc1O)[N+](=O)[O-])Cl TS45691 [1,1,0,0,0,0|1,0,1]=4 1132 B11R1.167 c1cc(c(cc1O)[N+](=O)[O-])F TS71130 [1,1,0,0,0,0|1,0,1]=4 1133 B11R1.167 c1cc(c(cc1O)[N+](=O)[O-])I TS30110 [1,1,0,0,0,0|1,0,1]=4 1134 B11R1.167 c1cc(c(cc1O)[N+](=O)[O-])N TS39731 [1,1,0,0,0,0|1,0,1]=4 1135 B11R1.167 c1cc(c(cc1O)[N+](=O)[O-])O TS10556 [1,1,0,0,0,0|1,0,1]=4 1136 B11R1.167 c1cc(nc(c1Cl)C(=O)O)Cl TS51386 [1,1,0,0,0,0|2,0,0]=4 1137 B11R1.167 c1cc(nc(c1Cl)C(=O)O)Cl TS63216 [1,1,0,0,0,0|2,0,0]=4 1138 B11R1.167 c1cc(nc(c1F)C(=O)O)Cl TS39359 [1,1,0,0,0,0|2,0,0]=4 1139 B11R1.167 c1cc(nc(c1N)C(=O)O)Cl TS89991 [1,1,0,0,0,0|2,0,0]=4 1140 B11R1.9 COc1cc(cc(c1)Br)C#N TS09340 [1,1,0,0,0,0|1,0,1]=4 1141 B11R1.9 COc1cc(cc(c1)Br)OC TS59899 [1,1,0,0,0,0|2,0,0]=4 1142 B11R1.9 COc1cc(cc(c1)Cl)C=O TS12931 [1,1,0,0,0,0|0,0,0]=2 1143 B11R1.9 COc1cc(cc(c1)Cl)CBr TS25795 [1,1,0,0,0,0|1,0,1]=4 1144 B11R1.9 COc1cc(cc(c1)Cl)CO TS45568 [1,1,0,0,0,0|0,0,1]=3 1145 B11R1.9 COc1cc(cc(c1)Cl)OC TS09202 [1,1,0,0,0,0|2,0,0]=4 1146 B11R1.9 COc1cc(cc(c1)F)C#N TS09381 [1,1,0,0,0,0|1,0,1]=4 1147 B11R1.9 COc1cc(cc(c1)F)C=O TS59691 [1,1,0,0,0,0|0,0,0]=2 1148 B11R1.9 COc1cc(cc(c1)F)CBr TS00150 [1,1,0,0,0,0|1,0,1]=4 1149 B11R1.9 COc1cc(cc(c1)F)OC TS02366 [1,1,0,0,0,0|2,0,0]=4 1150 B11R1.9 COc1cc(cc(c1)I)OC TS65282 [1,1,0,0,0,0|2,0,0]=4 1151 B11R1.9 COc1cc(cc(c1)OC)N TS02595 [1,1,0,0,0,0|2,0,0]=4 1152 B11R1.9 COc1cc(cc(c1)OC)O TS02598 [1,1,0,0,0,0|2,0,0]=4 1153 B11R1.9 COc1cc(cc(c1)S)OC TS65763 [1,1,0,0,0,0|2,0,0]=4 1154 B11R1.9 COc1cc(cc(n1)Cl)C=O TS13070 [1,1,0,0,0,0|1,0,0]=3 1155 B11R1.9 Cc1cc(cc(c1)C=O)C=O TS07419 [1,1,0,0,0,0|2,0,0]=4 1156 B11R1.9 Cc1cc(cc(c1)OC)C#N TS07326 [1,1,0,0,0,0|1,0,1]=4 1157 B11R1.9 Cc1cc(cc(c1)OC)OC TS02600 [1,1,0,0,0,0|2,0,0]=4 1158 B11R1.9 c1c(cc(cc1C#N)F)C=O TS40713 [1,1,0,0,0,0|2,0,0]=4 1159 B11R1.189 CCOc1cccc(c1)C=O TS09862 [1,1,0,0,0,0|0,0,0]=2 1160 B11R1.189 CCOc1cccc(c1)CO TS41134 [1,1,0,0,0,0|0,0,1]=3 1161 B11R1.189 CCc1cccc(c1)N=C=O TS07339 [1,1,0,0,0,0|1,0,1]=4 1162 B11R1.189 CNCc1cccc(c1)OC TS41039 [1,1,0,0,0,0|1,0,1]=4 1163 B11R1.189 COc1cccc(c1)CCN TS02822 [1,1,0,0,0,0|1,0,1]=4 1164 B11R1.189 COc1cccc(c1)CCO TS41136 [1,1,0,0,0,0|0,0,1]=3 1165 B11R1.189 COc1cccc(c1)CNN TS88044 [1,1,0,0,0,0|1,0,1]=4 1166 B11R1.189 COc1cccc(c1)CO[NH3+] TS16252 [1,1,0,0,0,0|0,0,1]=3 1167 B11R1.189 COc1cccc(c1)N=C=O TS40722 [1,1,0,0,0,0|0,0,1]=3 1168 B11R1.189 COc1cccc(c1)N=C=S TS42924 [1,1,0,0,0,0|0,1,1]=4 1169 B11R1.189 CSc1cccc(c1)N=C=O TS42922 [1,1,0,0,0,0|0,1,1]=4 1170 B11R1.189 c1cc(cc(c1)CO)CCN TS41046 [1,1,0,0,0,0|1,0,1]=4 1171 B11R1.267 COc1c(c(ccn1)C=O)Cl TS07742 [1,1,0,0,0,0|1,0,0]=3 1172 B11R1.267 COc1cccc(c1Br)OC TS49206 [1,1,0,0,0,0|2,0,0]=4 1173 B11R1.267 COc1cccc(c1Cl)OC TS09253 [1,1,0,0,0,0|2,0,0]=4 1174 B11R1.267 COc1cccc(c1F)C#N TS09288 [1,1,0,0,0,0|1,0,1]=4 1175 B11R1.267 COc1cccc(c1F)C=O TS55328 [1,1,0,0,0,0|0,0,0]=2 1176 B11R1.267 COc1cccc(c1N)C#N TS40629 [1,1,0,0,0,0|1,0,1]=4 1177 B11R1.267 COc1cccc(c1N)OC TS47315 [1,1,0,0,0,0|2,0,0]=4 1178 B11R1.267 COc1cccc(c1O)C#N TS40729 [1,1,0,0,0,0|1,0,1]=4 1179 B11R1.267 COc1cccc(c1O)CO TS10414 [1,1,0,0,0,0|0,0,1]=3 1180 B11R1.267 COc1cccc(c1O)OC TS10409 [1,1,0,0,0,0|2,0,0]=4 1181 B11R1.267 c1cc(c(c(c1)C#N)Cl)C=O TS42966 [1,1,0,0,0,0|2,0,0]=4 1182 B11R1.267 c1cc(c(c(c1)C=O)Br)C=O TS44285 [1,1,0,0,0,0|2,0,0]=4 1183 B11R1.267 c1cc(c(c(c1)C=O)Cl)CF TS13267 [1,1,0,0,0,0|2,0,0]=4 1184 B11R1.267 c1cc(c(c(c1)C=O)O)C=O TS07651 [1,1,0,0,0,0|2,0,0]=4 1185 B11R1.280 CCc1ccc(c(c1)C=O)O TS65157 [1,1,0,0,0,0|1,0,0]=3 1186 B11R1.280 CCc1ccc(c(c1)OC)O TS41147 [1,1,0,0,0,0|1,0,1]=4 1187 B11R1.280 COc1cc(c(cn1)F)C=O TS41488 [1,1,0,0,0,0|1,0,0]=3 1188 B11R1.280 COc1cc(ccc1F)C#N TS71118 [1,1,0,0,0,0|1,0,1]=4 1189 B11R1.280 COc1cc(ccc1F)C=O TS02813 [1,1,0,0,0,0|0,0,0]=2 1190 B11R1.280 COc1cc(ccc1F)CBr TS60401 [1,1,0,0,0,0|1,0,1]=4 1191 B11R1.280 COc1cc(ccc1F)CCl TS13590 [1,1,0,0,0,0|1,0,1]=4 1192 B11R1.280 COc1cc(ccc1F)CO TS41605 [1,1,0,0,0,0|0,0,1]=3 1193 B11R1.280 COc1cc(ccc1O)C#N TS03114 [1,1,0,0,0,0|1,0,1]=4 1194 B11R1.280 COc1cc(ccc1O)C=C TS40861 [1,1,0,0,0,0|1,0,0]=3 1195 B11R1.280 COc1cc(ccc1O)C=O TS02812 [1,1,0,0,0,0|0,0,0]=2 1196 B11R1.280 COc1cc(ccc1O)CN TS16249 [1,1,0,0,0,0|1,0,1]=4 1197 B11R1.280 COc1cc(ccc1O)CO TS10411 [1,1,0,0,0,0|0,0,1]=3 1198 B11R1.280 COc1ccc(c(c1)C#N)F TS60283 [1,1,0,0,0,0|1,0,1]=4 1199 B11R1.280 COc1ccc(c(c1)C#N)N TS47438 [1,1,0,0,0,0|1,0,1]=4 1200 B11R1.280 COc1ccc(c(c1)C#N)O TS07543 [1,1,0,0,0,0|1,0,1]=4 1201 B11R1.280 COc1ccc(c(c1)C=O)Br TS08350 [1,1,0,0,0,0|0,0,0]=2 1202 B11R1.280 COc1ccc(c(c1)C=O)F TS09303 [1,1,0,0,0,0|0,0,0]=2 1203 B11R1.280 COc1ccc(c(c1)C=O)O TS10130 [1,1,0,0,0,0|0,0,0]=2 1204 B11R1.280 COc1ccc(c(c1)CCl)F TS13600 [1,1,0,0,0,0|1,0,1]=4 1205 B11R1.280 COc1ccc(c(c1)CN)F TS51363 [1,1,0,0,0,0|1,0,1]=4 1206 B11R1.280 COc1ccc(c(c1)CO)Br TS49205 [1,1,0,0,0,0|0,0,1]=3 1207 B11R1.280 COc1ccc(c(c1)CO)Cl TS45564 [1,1,0,0,0,0|0,0,1]=3 1208 B11R1.280 COc1ccc(c(c1)CO)F TS41599 [1,1,0,0,0,0|0,0,1]=3 1209 B11R1.280 COc1ccc(c(c1)CO)O TS10417 [1,1,0,0,0,0|0,0,1]=3 1210 B11R1.280 COc1ccc(c(c1)NN)F TS51559 [1,1,0,0,0,0|2,0,0]=4 1211 B11R1.280 COc1ccc(c(c1)OC)Br TS46908 [1,1,0,0,0,0|2,0,0]=4 1212 B11R1.280 COc1ccc(c(c1)OC)Cl TS45569 [1,1,0,0,0,0|2,0,0]=4 1213 B11R1.280 COc1ccc(c(c1)OC)F TS09239 [1,1,0,0,0,0|2,0,0]=4 1214 B11R1.280 COc1ccc(c(c1)OC)I TS68774 [1,1,0,0,0,0|2,0,0]=4 1215 B11R1.280 COc1ccc(c(c1)OC)N TS41274 [1,1,0,0,0,0|2,0,0]=4 1216 B11R1.280 COc1ccc(c(c1)OC)S TS12829 [1,1,0,0,0,0|2,0,0]=4 1217 B11R1.280 Cc1ccc(cc1OC)C#N TS39447 [1,1,0,0,0,0|1,0,1]=4 1218 B11R1.280 Cc1ccc(cc1OC)C=O TS02815 [1,1,0,0,0,0|0,0,0]=2 1219 B11R1.280 Cc1ccc(cc1OC)OC TS41129 [1,1,0,0,0,0|2,0,0]=4 1220 B11R1.280 c1cc(c(cc1C#N)C=O)F TS71115 [1,1,0,0,0,0|2,0,0]=4 1221 B11R1.280 c1cc(c(cc1C#N)C=O)O TS00152 [1,1,0,0,0,0|2,0,0]=4 1222 B11R1.280 c1cc(c(cc1C=O)C#N)F TS09714 [1,1,0,0,0,0|2,0,0]=4 1223 B11R1.280 c1cc(c(cc1C=O)C=O)O TS07649 [1,1,0,0,0,0|2,0,0]=4 1224 B11R1.280 c1cc(c(cc1CCl)C=O)O TS12923 [1,1,0,0,0,0|2,0,0]=4 1225 B11R1.124 CCOc1ccc(o1)C(=O)O TS10661 [0,1,0,0,1,0|1,0,0]=3 1226 B11R1.124 COCc1nc(cs1)C(=O)O TS45609 [0,1,0,0,1,0|2,0,0]=4 1227 B11R1.175 CC(=O)c1cc([nH]c1)C(=O)O TS41240 [0,1,0,0,1,0|2,0,0]=4 1228 B11R1.175 CC(=O)c1ccc(s1)C(=O)O TS45121 [0,1,0,0,1,0|2,0,0]=4 1229 B11R1.59 COc1ccsc1C(=O)OC TS45455 [0,1,0,0,1,0|1,0,0]=3 1230 B11R1.59 COc1cscc1C(=O)OC TS45456 [0,1,0,0,1,0|1,0,0]=3 1231 B11R1.64 COc1c(csc1Br)C(=O)Cl TS67770 [0,1,0,0,1,0|2,0,0]=4 1232 B11R1.64 COc1c(csc1Br)C(=O)O TS60078 [0,1,0,0,1,0|1,0,0]=3 1233 B11R1.64 COc1c(csc1Cl)C(=O)Cl TS21077 [0,1,0,0,1,0|2,0,0]=4 1234 B11R1.64 COc1c(csc1Cl)C(=O)O TS07711 [0,1,0,0,1,0|1,0,0]=3 1235 B11R1.193 CCOc1ccsc1C(=O)O TS45453 [0,1,0,0,1,0|1,0,0]=3 1236 B13R1.52 CC(=O)Cc1ccc(c(c1)OC)O TS47898 [0,1,0,0,0,1|1,0,0]=3 1237 B13R1.52 CC(=O)Nc1ccc(c(c1)OC)O TS14771 [0,1,0,0,0,1|1,0,0]=3 1238 B13R1.52 COc1cc(ccc1F)CC(=O)O TS59616 [0,1,0,0,0,1|0,0,0]=2 1239 B13R1.52 COc1cc(ccc1O)CC(=O)O TS60412 [0,1,0,0,0,1|0,0,0]=2 1240 B13R1.80 COc1cccc(c1)CS(=O)(=O)Cl TS49873 [0,1,0,0,0,1|1,0,1]=4 1241 B13R1.81 COc1cccc(c1)CC(=O)NN TS47931 [0,1,0,0,0,1|1,0,0]=3 1242 B13R1.81 COc1cccc(c1)CC(=O)OC TS56277 [0,1,0,0,0,1|0,0,0]=2 1243 B13R1.81 CSc1cccc(c1)NC(=O)CCl TS44757 [0,1,0,0,0,1|1,1,0]=4 1244 B13R1.373 CCNc1cccc(c1)NC(=O)C TS47581 [0,1,0,0,0,1|2,0,0]=4 1245 B13R1.373 CCOc1cccc(c1)NC(=O)C TS14410 [0,1,0,0,0,1|1,0,0]=3 1246 B13R1.587 CC(=O)c1cccc(c1)NC(=O)C TS14030 [0,1,0,0,0,1|2,0,0]=4 1247 B13R1.587 CC(=O)c1cccc(c1)OC(=O)C TS02613 [0,1,0,0,0,1|2,0,0]=4 1248 B13R1.587 c1cc(cc(c1)C(=N)N)CC(=O)O TS14188 [0,1,0,0,0,1|2,0,0]=4 1249 B13R1.587 c1cc(cc(c1)[N+](=O)[O-])CC(=O)O TS60027 [0,1,0,0,0,1|2,0,0]=4 1250 B13R1.642 COc1cccc(c1)C(C(=O)O)O TS48232 [0,1,0,0,0,1|0,0,0]=2 1251 B13R1.31 B(c1cc(cc(c1)F)OCC)(O)O TS46462 [0,2,0,0,0,0|1,0,1]=4 1252 B13R1.126 B(c1cc(cc(c1)N)C(=O)O)(O)O TS14711 [0,2,0,0,0,0|2,0,0]=4 1253 B13R1.126 Cc1cc(cc(c1)C(=O)O)C(=O)O TS47857 [0,2,0,0,0,0|2,0,0]=4 1254 B13R1.126 c1c(cc(cc1C(=O)O)Br)C(=O)O TS62102 [0,2,0,0,0,0|2,0,0]=4 1255 B13R1.126 c1c(cc(cc1C(=O)O)F)C(=O)O TS15235 [0,2,0,0,0,0|2,0,0]=4 1256 B13R1.126 c1c(cc(cc1C(=O)O)N)C(=O)O TS14748 [0,2,0,0,0,0|2,0,0]=4 1257 B13R1.126 c1c(cc(cc1C(=O)O)O)C(=O)O TS48190 [0,2,0,0,0,0|2,0,0]=4 1258 B13R1.126 c1c(cc(cc1N)[N+](=O)[O-])C(=O)O TS60001 [0,2,0,0,0,0|2,0,0]=4 1259 B13R1.126 c1c(cc(cc1[N+](=O)[O-])Br)C(=O)O TS65938 [0,2,0,0,0,0|2,0,0]=4 1260 B13R1.126 c1c(cc(cc1[N+](=O)[O-])F)C(=O)O TS08982 [0,2,0,0,0,0|2,0,0]=4 1261 B13R1.126 c1c(cc(cc1[N+](=O)[O-])I)C(=O)O TS58347 [0,2,0,0,0,0|2,0,0]=4 1262 B13R1.126 c1c(cc(cc1[N+](=O)[O-])O)C(=O)O TS48392 [0,2,0,0,0,0|2,0,0]=4 1263 B13R1.298 COc1cc(cc(c1O)Cl)C(=O)O TS38342 [0,2,0,0,0,0|0,0,0]=2 1264 B13R1.298 COc1cc(cc(c1O)O)C(=O)O TS48528 [0,2,0,0,0,0|0,0,0]=2 1265 B13R1.313 B(c1cc(cc(c1)OC)OC)(O)O TS02597 [0,2,0,0,0,0|1,0,1]=4 1266 B13R1.313 C#Cc1cc(cc(c1)C(=O)O)C#C TS12784 [0,2,0,0,0,0|1,0,1]=4 1267 B13R1.313 CC(=O)c1cc(cc(c1)OC)OC TS14592 [0,2,0,0,0,0|1,0,0]=3 1268 B13R1.313 COc1cc(cc(c1)OC)C(=N)N TS49183 [0,2,0,0,0,0|2,0,0]=4 1269 B13R1.313 COc1cc(cc(c1)OC)C(=O)Cl TS19100 [0,2,0,0,0,0|1,0,0]=3 1270 B13R1.313 COc1cc(cc(c1)OC)C(=O)N TS48093 [0,2,0,0,0,0|1,0,0]=3 1271 B13R1.313 COc1cc(cc(c1)OC)C(=O)O TS02201 [0,2,0,0,0,0|0,0,0]=2 1272 B13R1.313 COc1cc(cc(c1)OC)C(=S)N TS18475 [0,2,0,0,0,0|1,1,0]=4 1273 B13R1.313 COc1cc(nc(n1)C(=O)O)OC TS91096 [0,2,0,0,0,0|2,0,0]=4 1274 B13R1.313 COc1cc(nc(n1)OC)C(=O)O TS48534 [0,2,0,0,0,0|2,0,0]=4 1275 B13R1.313 c1c(cc(cc1CN)C(=O)O)CN TS14621 [0,2,0,0,0,0|2,0,0]=4 1276 B13R1.314 COc1cc(cc(c1)I)C(=O)OC TS94041 [0,2,0,0,0,0|0,0,0]=2 1277 B13R1.314 COc1cc(nc(c1)Cl)C(=O)OC TS38154 [0,2,0,0,0,0|1,0,0]=3 1278 B13R1.437 COc1cc(c(c(c1)Br)O)[N+](=O)[O-] TS62508 [0,2,0,0,0,0|1,0,1]=4 1279 B13R1.437 Cc1c(cc(cc1Br)OC)[N+](=O)[O-] TS62244 [0,2,0,0,0,0|1,0,1]=4 1280 B13R1.13 B(c1cc(ccc1Cl)C(=O)O)(O)O TS85284 [0,2,0,0,0,0|2,0,0]=4 1281 B13R1.13 B(c1cc(ccc1F)C(=O)O)(O)O TS85285 [0,2,0,0,0,0|2,0,0]=4 1282 B13R1.13 B(c1ccc(c(c1)C(=O)O)Cl)(O)O TS02059 [0,2,0,0,0,0|2,0,0]=4 1283 B13R1.13 CC(=O)c1ccc(c(c1)C(=O)N)O TS47693 [0,2,0,0,0,0|2,0,0]=4 1284 B13R1.13 CC(=O)c1ccc(c(c1)C(=O)O)O TS47856 [0,2,0,0,0,0|1,0,0]=3 1285 B13R1.13 CC(C)c1ccc(c(c1)C(=O)C)O TS47572 [0,2,0,0,0,0|2,0,0]=4 1286 B13R1.13 Cc1ccc(cc1C(=O)C)C(C)C TS46161 [0,2,0,0,0,0|2,0,0]=4 1287 B13R1.13 Cc1ccc(cc1C(=O)O)[N+](=O)[O-] TS55456 [0,2,0,0,0,0|2,0,0]=4 1288 B13R1.13 c1cc(c(cc1C(=O)O)C(=O)O)Br TS09608 [0,2,0,0,0,0|2,0,0]=4 1289 B13R1.13 c1cc(c(cc1C(=O)O)C(=O)O)N TS14747 [0,2,0,0,0,0|2,0,0]=4 1290 B13R1.13 c1cc(c(cc1C(=O)O)C(=O)O)O TS71174 [0,2,0,0,0,0|2,0,0]=4 1291 B13R1.13 c1cc(c(cc1C(=O)O)[N+](=O)[O-])Br TS70976 [0,2,0,0,0,0|2,0,0]=4 1292 B13R1.13 c1cc(c(cc1C(=O)O)[N+](=O)[O-])Cl TS09647 [0,2,0,0,0,0|2,0,0]=4 1293 B13R1.13 c1cc(c(cc1C(=O)O)[N+](=O)[O-])F TS71125 [0,2,0,0,0,0|2,0,0]=4 1294 B13R1.13 c1cc(c(cc1C(=O)O)[N+](=O)[O-])I TS07799 [0,2,0,0,0,0|2,0,0]=4 1295 B13R1.13 c1cc(c(cc1C(=O)O)[N+](=O)[O-])N TS70894 [0,2,0,0,0,0|2,0,0]=4 1296 B13R1.13 c1cc(c(cc1C(=O)O)[N+](=O)[O-])O TS39750 [0,2,0,0,0,0|2,0,0]=4 1297 B13R1.13 c1cc(c(cc1[N+](=O)[O-])C(=O)O)Br TS55132 [0,2,0,0,0,0|2,0,0]=4 1298 B13R1.13 c1cc(c(cc1[N+](=O)[O-])C(=O)O)Cl TS19272 [0,2,0,0,0,0|2,0,0]=4 1299 B13R1.13 c1cc(c(cc1[N+](=O)[O-])C(=O)O)F TS01014 [0,2,0,0,0,0|2,0,0]=4 1300 B13R1.13 c1cc(c(cc1[N+](=O)[O-])C(=O)O)I TS58346 [0,2,0,0,0,0|2,0,0]=4 1301 B13R1.13 c1cc(c(cc1[N+](=O)[O-])C(=O)O)N TS47448 [0,2,0,0,0,0|2,0,0]=4 1302 B13R1.13 c1cc(c(cc1[N+](=O)[O-])C(=O)O)O TS39670 [0,2,0,0,0,0|2,0,0]=4 1303 B13R1.49 CCC(=O)c1ccc(c(c1)OC)O TS14589 [0,2,0,0,0,0|1,0,0]=3 1304 B13R1.49 CCc1cc(ccc1O)C(=O)OC TS14618 [0,2,0,0,0,0|1,0,0]=3 1305 B13R1.49 COC(=O)c1ccc(c(c1)C#N)F TS56272 [0,2,0,0,0,0|2,0,0]=4 1306 B13R1.49 COC(=O)c1ccc(c(c1)C=O)O TS14540 [0,2,0,0,0,0|2,0,0]=4 1307 B13R1.49 COc1cc(ccc1I)C(=O)OC TS58253 [0,2,0,0,0,0|0,0,0]=2 1308 B13R1.49 COc1cc(ccc1N)C(=O)OC TS08591 [0,2,0,0,0,0|0,0,0]=2 1309 B13R1.49 COc1cc(ccc1O)C(=O)NN TS14937 [0,2,0,0,0,0|1,0,0]=3 1310 B13R1.49 COc1cc(ccc1O)C(=O)OC TS16566 [0,2,0,0,0,0|0,0,0]=2 1311 B13R1.49 COc1cc(ccc1O)C(CO)O TS82469 [0,2,0,0,0,0|0,0,2]=4 1312 B13R1.49 COc1cc(cnc1N)C(=O)OC TS14944 [0,2,0,0,0,0|1,0,0]=3 1313 B13R1.49 Cc1ccc(cc1OC)C(=O)OC TS59795 [0,2,0,0,0,0|0,0,0]=2 1314 B13R1.49 Cc1ccc(cc1[N+]#[C-])C(=O)OC TS13681 [0,2,0,0,0,0|1,0,1]=4 1315 B13R1.50 COc1cc(ccc1N)S(=O)(=O)N TS19395 [0,2,0,0,0,0|1,0,1]=4 1316 B13R1.50 COc1cc(ccc1O)S(=O)(=O)[O-] TS72704 [0,2,0,0,0,0|1,0,1]=4 1317 B13R1.354 B(c1ccc(c(c1)OCC)F)(O)O TS46460 [0,2,0,0,0,0|1,0,1]=4 1318 B13R1.354 CCOc1cc(ccc1Br)[N+](=O)[O-] TS39653 [0,2,0,0,0,0|1,0,1]=4 1319 B13R1.651 COc1cc(c(cc1Cl)F)[N+](=O)[O-] TS46932 [0,2,0,0,0,0|1,0,1]=4 1320 B13R1.651 COc1cc(c(cc1F)N)C(=O)O TS89032 [0,2,0,0,0,0|0,0,0]=2 1321 B13R1.651 COc1cc(c(cc1N)Cl)[N+](=O)[O-] TS38344 [0,2,0,0,0,0|1,0,1]=4 1322 B13R1.651 Cc1cc(c(cc1OC)C(=O)C)O TS14575 [0,2,0,0,0,0|1,0,0]=3 1323 B13R1.3091 B(c1ccc(c(c1)OC)OC)(O)O TS02559 [0,2,0,0,0,0|1,0,1]=4 1324 B13R1.3091 CC(=O)c1ccc(c(c1)OC)OC TS02552 [0,2,0,0,0,0|1,0,0]=3 1325 B13R1.3091 COc1cc(ccc1C#N)[N+](=O)[O-] TS07730 [0,2,0,0,0,0|1,0,1]=4 1326 B13R1.3091 COc1cc(ccc1C=O)[N+](=O)[O-] TS14751 [0,2,0,0,0,0|1,0,1]=4 1327 B13R1.3091 COc1cc(ccc1CN)C(=O)O TS48083 [0,2,0,0,0,0|0,0,0]=2 1328 B13R1.3091 COc1cc(ccc1CO)[N+](=O)[O-] TS02015 [0,2,0,0,0,0|1,0,1]=4 1329 B13R1.3091 COc1ccc(cc1OC)C(=N)N TS02554 [0,2,0,0,0,0|2,0,0]=4 1330 B13R1.3091 COc1ccc(cc1OC)C(=O)Cl TS19109 [0,2,0,0,0,0|1,0,0]=3 1331 B13R1.3091 COc1ccc(cc1OC)C(=O)N TS48080 [0,2,0,0,0,0|1,0,0]=3 1332 B13R1.3091 COc1ccc(cc1OC)C(=O)O TS14931 [0,2,0,0,0,0|0,0,0]=2 1333 B13R1.3091 COc1ccc(cc1OC)C(=S)N TS18480 [0,2,0,0,0,0|1,1,0]=4 1334 B13R1.3091 COc1ccc(cc1OC)[N+](=O)[O-] TS15115 [0,2,0,0,0,0|1,0,1]=4 1335 B13R1.3230 COc1c(ccc(c1F)C(=O)O)Br TS60383 [0,2,0,0,0,0|0,0,0]=2 1336 B13R1.3230 COc1c(ccc(c1F)C(=O)O)F TS00625 [0,2,0,0,0,0|0,0,0]=2 1337 B13R1.3230 Cc1cnc(c(c1OC)C)C(=O)O TS90760 [0,2,0,0,0,0|1,0,0]=3 1338 B13R1.345 CS(=O)(=O)c1cccc(c1)C(=O)O TS65710 [0,2,0,0,0,0|0,1,0]=3 1339 B13R1.345 c1cc(cc(c1)C(F)(F)F)C(=O)O TS65066 [0,2,0,0,0,0|2,0,0]=4 1340 B13R1.345 c1cc(cc(c1)P(=O)(O)O)C(=O)O TS38204 [0,2,0,0,0,0|2,0,0]=4 1341 B13R1.345 c1cc(cc(c1)S(=O)(=O)Cl)C(=O)O TS09442 [0,2,0,0,0,0|1,1,0]=4 1342 B13R1.345 c1cc(cc(c1)S(=O)(=O)F)C(=O)O TS38552 [0,2,0,0,0,0|1,1,0]=4 1343 B13R1.345 c1cc(cc(c1)S(=O)(=O)N)C(=O)O TS70714 [0,2,0,0,0,0|1,1,0]=4 1344 B13R1.543 B(c1cccc(c1)C(=O)OC)(O)O TS65709 [0,2,0,0,0,0|1,0,1]=4 1345 B13R1.543 CC(C#N)c1cccc(c1)C(=O)O TS02493 [0,2,0,0,0,0|1,0,0]=3 1346 B13R1.543 CCC(=O)c1cccc(c1)C(=O)O TS47517 [0,2,0,0,0,0|1,0,0]=3 1347 B13R1.543 CN(C)c1cccc(c1)C(=O)OC TS14436 [0,2,0,0,0,0|1,0,0]=3 1348 B13R1.543 COC(=O)c1cc(cnc1)C(=O)O TS48047 [0,2,0,0,0,0|1,0,0]=3 1349 B13R1.543 COC(=O)c1cccc(c1)C(=N)N TS44606 [0,2,0,0,0,0|2,0,0]=4 1350 B13R1.543 COC(=O)c1cccc(c1)C(=O)Cl TS18734 [0,2,0,0,0,0|1,0,0]=3 1351 B13R1.543 COC(=O)c1cccc(c1)C(=O)[O-] TS39402 [0,2,0,0,0,0|0,0,1]=3 1352 B13R1.543 COC(=O)c1cccc(c1)[N+](=O)[O-] TS14736 [0,2,0,0,0,0|1,0,1]=4 1353 B13R1.543 COC(=O)c1cccc(n1)C(=O)N TS47873 [0,2,0,0,0,0|2,0,0]=4 1354 B13R1.543 COC(=O)c1cccc(n1)C(=O)O TS00713 [0,2,0,0,0,0|1,0,0]=3 1355 B13R1.543 COC(=O)c1ccnc(c1)C(=O)O TS14743 [0,2,0,0,0,0|1,0,0]=3 1356 B13R1.543 c1cc(cc(c1)C(=O)O)C(=NO)N TS47867 [0,2,0,0,0,0|2,0,0]=4 1357 B13R1.543 c1cc(cc(c1)C(=O)O)C(=O)CBr TS57802 [0,2,0,0,0,0|1,0,0]=3 1358 B13R1.543 c1cc(cc(c1)[N+](=O)[O-])C(=O)CO TS14737 [0,2,0,0,0,0|2,0,0]=4 1359 B13R1.3801 B(c1cccc(c1F)C(=O)O)(O)O TS09506 [0,2,0,0,0,0|2,0,0]=4 1360 B13R1.3801 Cc1c(cccc1[N+](=O)[O-])C(=O)O TS01113 [0,2,0,0,0,0|2,0,0]=4 1361 B13R1.3801 c1cc(c(c(c1)C(=O)O)N)C(=O)O TS14733 [0,2,0,0,0,0|2,0,0]=4 1362 B13R1.3801 c1cc(c(c(c1)C(=O)O)O)C(=O)O TS48193 [0,2,0,0,0,0|2,0,0]=4 1363 B13R1.3801 c1cc(c(c(c1)[N+](=O)[O-])Br)C(=O)O TS08311 [0,2,0,0,0,0|2,0,0]=4 1364 B13R1.3801 c1cc(c(c(c1)[N+](=O)[O-])Cl)C(=O)O TS55206 [0,2,0,0,0,0|2,0,0]=4 1365 B13R1.3801 c1cc(c(c(c1)[N+](=O)[O-])F)C(=O)O TS08405 [0,2,0,0,0,0|2,0,0]=4 1366 B13R1.3801 c1cc(c(c(c1)[N+](=O)[O-])N)C(=O)O TS00724 [0,2,0,0,0,0|2,0,0]=4 1367 B13R1.3801 c1cc(c(c(c1)[N+](=O)[O-])O)C(=O)O TS65434 [0,2,0,0,0,0|2,0,0]=4 1368 B13R1.374 CCOc1cccc(c1)C(=O)NN TS47929 [0,2,0,0,0,0|1,0,0]=3 1369 B13R1.374 CCOc1cccc(c1)C(=O)OC TS14601 [0,2,0,0,0,0|0,0,0]=2 1370 B13R1.374 COC(=O)c1cccc(c1)CC#N TS08664 [0,2,0,0,0,0|1,0,1]=4 1371 B13R1.374 COC(=O)c1cccc(c1)CC=O TS29462 [0,2,0,0,0,0|1,0,1]=4 1372 B13R1.377 B(c1cccc(c1F)OCC)(O)O TS46459 [0,2,0,0,0,0|1,0,1]=4 1373 B13R1.387 CCOc1ccc(c(c1)C(=O)O)O TS14918 [0,2,0,0,0,0|0,0,0]=2 1374 B13R1.387 CCOc1ccc(c(c1)[N+](=O)[O-])N TS14938 [0,2,0,0,0,0|1,0,1]=4 1375 B13R1.387 c1cc(c(cc1CCN)C(=O)O)O TS14768 [0,2,0,0,0,0|1,0,0]=3 1376 B13R1.568 B(c1cccc(c1)OCCC)(O)O TS22891 [0,2,0,0,0,0|1,0,1]=4 1377 B13R1.82 COc1cccc(c1O)C(=O)OC TS14921 [0,2,0,0,0,0|0,0,0]=2 1378 B13R1.82 Cc1c(cccc1[N+]#[C-])C(=O)OC TS13680 [0,2,0,0,0,0|1,0,1]=4 1379 B13R1.460 CCOC(=O)c1cccc(c1)CCl TS54129 [0,2,0,0,0,0|2,0,0]=4 1380 B13R1.460 CCOC(=O)c1cccc(c1)NN TS55923 [0,2,0,0,0,0|2,0,0]=4 1381 B13R1.460 CCOC(=O)c1cccc(c1)OC TS14577 [0,2,0,0,0,0|0,0,0]=2 1382 B13R1.460 CCOC(=O)c1ccnc(c1)OC TS14763 [0,2,0,0,0,0|1,0,0]=3 1383 B13R1.460 COc1cccc(c1)C(=O)CC#N TS09413 [0,2,0,0,0,0|1,0,0]=3 1384 B13R1.2431 COC(=O)c1cc(ccc1Cl)CN TS94353 [0,2,0,0,0,0|2,0,0]=4 1385 B13R1.2431 COC(=O)c1cc(ccc1O)C#N TS46240 [0,2,0,0,0,0|2,0,0]=4 1386 B13R1.2431 COC(=O)c1cc(ccc1O)C=O TS39350 [0,2,0,0,0,0|2,0,0]=4 1387 B13R1.2431 COC(=O)c1cc(ccc1O)CN TS14758 [0,2,0,0,0,0|2,0,0]=4 1388 B13R1.2431 COc1ccc(c(c1)C(=O)CBr)O TS27270 [0,2,0,0,0,0|1,0,0]=3 1389 B13R1.2431 COc1ccc(c(c1)C(=O)NN)Br TS27271 [0,2,0,0,0,0|1,0,0]=3 1390 B13R1.2431 COc1ccc(c(c1)C(=O)NN)O TS14939 [0,2,0,0,0,0|1,0,0]=3 1391 B13R1.2431 COc1ccc(c(c1)C(=O)OC)Br TS27256 [0,2,0,0,0,0|0,0,0]=2 1392 B13R1.2431 COc1ccc(c(c1)C(=O)OC)O TS48227 [0,2,0,0,0,0|0,0,0]=2 1393 B13R1.98 COc1ccc(c(c1)S(=O)(=O)O)N TS38446 [0,2,0,0,0,0|1,0,0]=3 1394 B13R1.645 COc1cccc(c1O)S(=O)(=O)[O-] TS82300 [0,2,0,0,0,0|1,0,1]=4 1395 B13R1.2137 B(c1cccc(c1OC)OC)(O)O TS16353 [0,2,0,0,0,0|1,0,1]=4 1396 B13R1.2137 COc1cccc(c1C#N)[N+](=O)[O-] TS47491 [0,2,0,0,0,0|1,0,1]=4 1397 B13R1.2137 COc1cccc(c1C=O)[N+](=O)[O-] TS02017 [0,2,0,0,0,0|1,0,1]=4 1398 B13R1.2137 COc1cccc(c1OC)C(=O)Cl TS38001 [0,2,0,0,0,0|1,0,0]=3 1399 B13R1.2137 COc1cccc(c1OC)C(=O)N TS48089 [0,2,0,0,0,0|1,0,0]=3 1400 B13R1.2137 COc1cccc(c1OC)C(=O)O TS02342 [0,2,0,0,0,0|0,0,0]=2 1401 B13R1.2137 COc1cccc(c1OC)C(=S)N TS18471 [0,2,0,0,0,0|1,1,0]=4 1402 B13R1.3097 B(c1c(ccc(c1Br)OC)Cl)(O)O TS68938 [0,2,0,0,0,0|1,0,1]=4 1403 B13R1.3097 B(c1c(ccc(c1Br)OC)F)(O)O TS27839 [0,2,0,0,0,0|1,0,1]=4 1404 B13R1.3097 B(c1c(ccc(c1Cl)OC)Br)(O)O TS68939 [0,2,0,0,0,0|1,0,1]=4 1405 B13R1.3097 B(c1c(ccc(c1Cl)OC)F)(O)O TS38701 [0,2,0,0,0,0|1,0,1]=4 1406 B13R1.3097 B(c1c(ccc(c1F)OC)Br)(O)O TS27840 [0,2,0,0,0,0|1,0,1]=4 1407 B13R1.3097 B(c1c(ccc(c1F)OC)Cl)(O)O TS38700 [0,2,0,0,0,0|1,0,1]=4 1408 B13R1.3097 B(c1c(ccc(c1F)OC)F)(O)O TS07924 [0,2,0,0,0,0|1,0,1]=4 1409 B13R1.2430 B(c1cc(ccc1C=O)OC)(O)O TS32663 [0,2,0,0,0,0|1,0,1]=4 1410 B13R1.2430 B(c1cc(ccc1OC)OC)(O)O TS47271 [0,2,0,0,0,0|1,0,1]=4 1411 B13R1.2430 CC(=O)c1cc(ccc1OC)OC TS32899 [0,2,0,0,0,0|1,0,0]=3 1412 B13R1.2430 CC(c1cc(ccc1OC)OC)O TS14963 [0,2,0,0,0,0|1,0,1]=4 1413 B13R1.2430 CNc1ccc(cc1[N+](=O)[O-])OC TS03151 [0,2,0,0,0,0|1,0,1]=4 1414 B13R1.2430 COc1cc(c(nn1)OC)C(=O)O TS46509 [0,2,0,0,0,0|2,0,0]=4 1415 B13R1.2430 COc1ccc(c(c1)C(=O)Cl)OC TS19105 [0,2,0,0,0,0|1,0,0]=3 1416 B13R1.2430 COc1ccc(c(c1)C(=O)N)OC TS48079 [0,2,0,0,0,0|1,0,0]=3 1417 B13R1.2430 COc1ccc(c(c1)C(=O)O)C#N TS55296 [0,2,0,0,0,0|0,0,0]=2 1418 B13R1.2430 COc1ccc(c(c1)C(=O)O)OC TS39631 [0,2,0,0,0,0|0,0,0]=2 1419 B13R1.2430 COc1ccc(c(c1)C(=S)N)OC TS18479 [0,2,0,0,0,0|1,1,0]=4 1420 B13R1.2430 COc1ccc(c(c1)[N+](=O)[O-])C#N TS71207 [0,2,0,0,0,0|1,0,1]=4 1421 B13R1.2430 COc1ccc(c(c1)[N+](=O)[O-])C=O TS71205 [0,2,0,0,0,0|1,0,1]=4 1422 B13R1.2430 COc1ccc(c(c1)[N+](=O)[O-])CBr TS09134 [0,2,0,0,0,0|1,0,1]=4 1423 B13R1.2430 COc1ccc(c(c1)[N+](=O)[O-])CO TS15112 [0,2,0,0,0,0|1,0,1]=4 1424 B13R1.2430 COc1ccc(c(c1)[N+](=O)[O-])OC TS15107 [0,2,0,0,0,0|1,0,1]=4 1425 B13R1.2430 COc1ccc(cc1C(=O)O)C=O TS47852 [0,2,0,0,0,0|2,0,0]=4 1426 B11R1.90 Cc1ccsc1C=CC(=O)O TS44886 [0,0,1,1,0,0|2,0,0]=4 1427 B11R1.91 c1cc(cnc1)C=CC(=O)O TS40727 [0,0,1,1,0,0|2,0,0]=4 1428 B11R1.91 c1ccc(cc1)C=CC(=O)O TS07414 [0,0,1,1,0,0|1,0,1]=4 1429 B11R1.91 c1ccnc(c1)C=CC(=O)O TS07541 [0,0,1,1,0,0|1,0,1]=4 1430 B11R1.36 C=C(c1ccccc1)C(=O)O TS59983 [0,0,1,1,0,0|1,0,1]=4 1431 B11R2.173 C=Cc1cccc2c1CC2 TS60073 [1,0,0,1,0,0|2,0,0]=4 1432 B11R2.173 c1cc2c(c(c1)CO)CC2 TS03126 [1,0,0,1,0,0|1,0,1]=4 1433 B11R2.190 c1cc2c(cc1C=O)C=C2 TS05540 [1,0,0,1,0,0|1,0,1]=4 1434 B13R2.581 COc1cccc2c1CC(=O)C2 TS42448 [0,0,0,1,0,1|1,0,0]=3 1435 B13R2.581 COc1cccc2c1CC(=O)N2 TS09138 [0,0,0,1,0,1|1,0,0]=3 1436 B13R2.581 COc1cccc2c1NC(=O)C2 TS59626 [0,0,0,1,0,1|1,0,0]=3 1437 B13R2.581 COc1cccc2c1[nH]c(=O)s2 TS14799 [0,0,0,1,0,1|1,0,0]=3 1438 B13R2.581 COc1cccc2c1nc(s2)N TS47404 [0,0,0,1,0,1|2,0,0]=4 1439 B13R2.2121 COc1ccc2=NC(=O)N=c2c1 TS42704 [0,0,0,1,0,1|1,0,0]=3 1440 B13R2.2121 COc1ccc2c(c1)CC(=O)C2 TS03349 [0,0,0,1,0,1|1,0,0]=3 1441 B13R2.2121 COc1ccc2c(c1)NC(=O)C2 TS55619 [0,0,0,1,0,1|1,0,0]=3 1442 B13R2.2121 COc1ccc2c(c1)[nH]c(=S)[nH]2 TS93745 [0,0,0,1,0,1|1,1,0]=4 1443 B13R2.2121 COc1ccc2c(c1)[nH]c(n2)Cl TS48360 [0,0,0,1,0,1|2,0,0]=4 1444 B13R2.2121 COc1ccc2c(c1)sc(=O)[nH]2 TS01253 [0,0,0,1,0,1|1,0,0]=3 1445 B13R2.2121 COc1ccc2c(c1)sc(n2)Br TS08365 [0,0,0,1,0,1|2,0,0]=4 1446 B13R2.2121 COc1ccc2c(c1)sc(n2)Cl TS55268 [0,0,0,1,0,1|2,0,0]=4 1447 B13R2.2121 COc1ccc2c(c1)sc(n2)N TS47455 [0,0,0,1,0,1|2,0,0]=4 1448 B13R2.2121 Cc1[nH]c2cc(ccc2n1)OC TS11556 [0,0,0,1,0,1|2,0,0]=4 1449 B13R2.2121 Cc1cc2cc(ccc2[nH]1)OC TS08757 [0,0,0,1,0,1|2,0,0]=4 1450 B13R2.2121 Cc1nc2cc(ccc2[se]1)OC TS24130 [0,0,0,1,0,1|1,1,0]=4 1451 B13R2.2121 Cc1nc2cc(ccc2o1)OC TS11697 [0,0,0,1,0,1|1,0,0]=3 1452 B13R2.2121 Cc1nc2cc(ccc2s1)OC TS39284 [0,0,0,1,0,1|1,1,0]=4 1453 B13R2.2121 Cc1nc2ccc(cc2s1)OC TS14444 [0,0,0,1,0,1|2,0,0]=4 1454 B13R2.430 B(c1ccc2c(c1)OCO2)(O)O TS65769 [0,1,0,1,0,0|1,0,1]=4 1455 B13R2.430 CC(=O)c1ccc2c(c1)CCC2 TS42186 [0,1,0,1,0,0|2,0,0]=4 1456 B13R2.430 CC(=O)c1ccc2c(c1)CCO2 TS42442 [0,1,0,1,0,0|2,0,0]=4 1457 B13R2.430 CC(=O)c1ccc2c(c1)OCO2 TS11822 [0,1,0,1,0,0|1,0,0]=3 1458 B13R2.430 c1cc(cc2c1cc[nH]2)C(=O)O TS42280 [0,1,0,1,0,0|1,0,1]=4 1459 B13R2.430 c1cc(cc2c1cco2)C(=O)O TS11495 [0,1,0,1,0,0|0,0,1]=3 1460 B13R2.430 c1cc2c(cc1C(=N)N)OCO2 TS19113 [0,1,0,1,0,0|2,0,0]=4 1461 B13R2.430 c1cc2c(cc1C(=O)Cl)CCO2 TS07694 [0,1,0,1,0,0|2,0,0]=4 1462 B13R2.430 c1cc2c(cc1C(=O)Cl)OCO2 TS15369 [0,1,0,1,0,0|1,0,0]=3 1463 B13R2.430 c1cc2c(cc1C(=O)Cl)non2 TS15062 [0,1,0,1,0,0|2,0,0]=4 1464 B13R2.430 c1cc2c(cc1C(=O)N)OCO2 TS11998 [0,1,0,1,0,0|1,0,0]=3 1465 B13R2.430 c1cc2c(cc1C(=O)O)CCN2 TS42558 [0,1,0,1,0,0|1,0,0]=3 1466 B13R2.430 c1cc2c(cc1C(=O)O)CCO2 TS47159 [0,1,0,1,0,0|1,0,0]=3 1467 B13R2.430 c1cc2c(cc1C(=O)O)CNC2 TS90031 [0,1,0,1,0,0|1,0,0]=3 1468 B13R2.430 c1cc2c(cc1C(=O)O)NCC2 TS11708 [0,1,0,1,0,0|1,0,0]=3 1469 B13R2.430 c1cc2c(cc1C(=O)O)OCC2 TS11817 [0,1,0,1,0,0|0,0,0]=2 1470 B13R2.430 c1cc2c(cc1C(=O)O)OCO2 TS12139 [0,1,0,1,0,0|0,0,0]=2 1471 B13R2.430 c1cc2c(cc1C(=O)O)[nH]cn2 TS94297 [0,1,0,1,0,0|1,0,1]=4 1472 B13R2.430 c1cc2c(cc1C(=O)O)cn[nH]2 TS71478 [0,1,0,1,0,0|2,0,0]=4 1473 B13R2.430 c1cc2c(cc1C(=O)O)ncs2 TS01369 [0,1,0,1,0,0|1,0,1]=4 1474 B13R2.430 c1cc2c(cc1C(=O)O)nns2 TS47879 [0,1,0,1,0,0|2,0,0]=4 1475 B13R2.430 c1cc2c(cc1C(=O)O)non2 TS11799 [0,1,0,1,0,0|1,0,0]=3 1476 B13R2.430 c1cc2c(cc1C(=O)O)nsn2 TS39245 [0,1,0,1,0,0|1,1,0]=4 1477 B13R2.430 c1cc2c(cc1C(=O)O)scn2 TS00364 [0,1,0,1,0,0|0,1,1]=4 1478 B13R2.430 c1cc2c(cc1C(=S)N)OCO2 TS39219 [0,1,0,1,0,0|1,1,0]=4 1479 B13R2.430 c1cc2c(cc1N(=O)=O)OCO2 TS33189 [0,1,0,1,0,0|1,0,1]=4 1480 B13R2.430 c1cc2c(cc[nH]2)cc1C(=O)O TS01496 [0,1,0,1,0,0|1,0,1]=4 1481 B13R2.430 c1cc2c(cc[nH]2)cc1C(=O)O TS94745 [0,1,0,1,0,0|1,0,1]=4 1482 B13R2.430 c1cc2c(cco2)cc1C(=O)O TS01364 [0,1,0,1,0,0|1,0,1]=4 1483 B13R2.430 c1cc2c(ccs2)cc1C(=O)O TS00404 [0,1,0,1,0,0|1,0,1]=4 1484 B13R2.430 c1cc2cn[nH]c2cc1C(=O)O TS00447 [0,1,0,1,0,0|1,0,1]=4 1485 B13R2.429 c1cc(cc(c1)C(=O)O)C2CC2 TS11534 [0,1,0,1,0,0|1,0,0]=3 1486 B13R2.5569 B(c1cccc2c1OCO2)(O)O TS12126 [0,1,0,1,0,0|1,0,1]=4 1487 B13R2.5569 CC(=O)c1cccc2c1OCC2 TS42454 [0,1,0,1,0,0|2,0,0]=4 1488 B13R2.5569 c1cc(c2c(c1)NCC2)C(=O)O TS42557 [0,1,0,1,0,0|1,0,0]=3 1489 B13R2.5569 c1cc(c2c(c1)OCC2)C(=O)O TS11823 [0,1,0,1,0,0|0,0,0]=2 1490 B13R2.5569 c1cc(c2c(c1)OCC2)[N+](=O)[O-] TS91015 [0,1,0,1,0,0|1,0,1]=4 1491 B13R2.5569 c1cc(c2c(c1)OCO2)C(=O)O TS00362 [0,1,0,1,0,0|0,0,0]=2 1492 B13R2.5569 c1cc(c2c(c1)[nH]cn2)C(=O)O TS46945 [0,1,0,1,0,0|1,0,1]=4 1493 B13R2.5569 c1cc(c2c(c1)nsn2)C(=O)O TS60107 [0,1,0,1,0,0|1,1,0]=4 1494 B13R2.5569 c1cc(c2cc[nH]c2c1)C(=O)O TS01494 [0,1,0,1,0,0|1,0,1]=4 1495 B13R2.5569 c1cc(c2ccoc2c1)C(=O)O TS11499 [0,1,0,1,0,0|0,0,1]=3 1496 B13R2.5569 c1cc(c2cn[nH]c2c1)C(=O)O TS46957 [0,1,0,1,0,0|1,0,1]=4 1497 B13R2.5569 c1cc2c(c(c1)C(=O)O)OCC2 TS47160 [0,1,0,1,0,0|1,0,0]=3 1498 B13R2.5569 c1cc2cc[nH]c2c(c1)C(=O)O TS01499 [0,1,0,1,0,0|1,0,1]=4 1499 B13R2.5569 c1cc2cc[nH]c2c(c1)C(=O)O TS69448 [0,1,0,1,0,0|1,0,1]=4 1500 B13R2.5569 c1cc2ccoc2c(c1)C(=O)O TS01365 [0,1,0,1,0,0|1,0,1]=4 1501 B13R2.5569 c1cc2cn[nH]c2c(c1)C(=O)O TS00449 [0,1,0,1,0,0|2,0,0]=4 1502 B13R2.573 COc1cccc2c1CCC2=O TS03146 [0,1,0,1,0,0|1,0,0]=3 1503 B13R2.573 COc1cccc2c1COC2=O TS11819 [0,1,0,1,0,0|0,0,0]=2 1504 B13R2.573 COc1cccc2c1OCC2=O TS11816 [0,1,0,1,0,0|0,0,0]=2 1505 B13R2.573 c1cc(c2c(c1)C(=O)OC2)C#N TS11111 [0,1,0,1,0,0|2,0,0]=4 1506 B13R2.669 COc1ccc2c(c1)C(=O)CC2 TS01251 [0,1,0,1,0,0|1,0,0]=3 1507 B13R2.669 COc1ccc2c(c1)C(=O)CO2 TS42700 [0,1,0,1,0,0|0,0,0]=2 1508 B13R2.669 COc1ccc2c(c1)C(=O)NC2 TS11700 [0,1,0,1,0,0|1,0,0]=3 1509 B13R2.669 COc1ccc2c(c1)C(=O)OC2 TS11815 [0,1,0,1,0,0|0,0,0]=2 1510 B13R2.669 COc1ccc2c(c1)C(CO2)N TS19279 [0,1,0,1,0,0|1,0,1]=4 1511 B13R2.669 COc1ccc2c(c1)c(c[nH]2)Br TS65931 [0,1,0,1,0,0|2,0,0]=4 1512 B13R2.669 COc1ccc2c(c1)c(n[nH]2)I TS74412 [0,1,0,1,0,0|2,0,0]=4 1513 B13R2.669 COc1ccc2c(c1)c(n[nH]2)O TS65090 [0,1,0,1,0,0|1,0,0]=3 1514 B13R2.669 c1cc2c(cc1C#N)C(=O)OC2 TS11109 [0,1,0,1,0,0|2,0,0]=4 1515 B9R1.35 CC(=O)c1ccn(c1)C TS04957 [1,0,0,0,1,0|2,0,0]=4 1516 B9R1.35 Cc1cc([nH]c1)C(=O)O TS05086 [1,0,0,0,1,0|1,0,0]=3 1517 B9R1.35 Cc1cc([nH]n1)C(=O)O TS05140 [1,0,0,0,1,0|2,0,0]=4 1518 B9R1.35 Cc1cc(cs1)C(=O)O TS86569 [1,0,0,0,1,0|1,0,0]=3 1519 B9R1.35 Cc1cc(n[nH]1)C(=O)O TS39782 [1,0,0,0,1,0|2,0,0]=4 1520 B9R1.35 Cc1cc(no1)C(=O)O TS08888 [1,0,0,0,1,0|2,0,0]=4 1521 B9R1.35 Cc1cc(on1)C(=O)O TS70668 [1,0,0,0,1,0|2,0,0]=4 1522 B9R1.35 Cc1cc(sc1)C(=O)C TS37391 [1,0,0,0,1,0|2,0,0]=4 1523 B9R1.35 Cc1cc(sc1)C(=O)Cl TS11337 [1,0,0,0,1,0|2,0,0]=4 1524 B9R1.35 Cc1cc(sc1)C(=O)O TS37578 [1,0,0,0,1,0|1,0,0]=3 1525 B9R1.35 Cc1ccc([nH]1)C(=O)O TS05087 [1,0,0,0,1,0|1,0,0]=3 1526 B9R1.35 Cc1ccc(o1)C(=O)C TS32605 [1,0,0,0,1,0|2,0,0]=4 1527 B9R1.35 Cc1ccc(o1)C(=O)Cl TS40261 [1,0,0,0,1,0|2,0,0]=4 1528 B9R1.35 Cc1ccc(o1)C(=O)O TS39783 [1,0,0,0,1,0|1,0,0]=3 1529 B9R1.35 Cc1ccc(s1)C(=O)C TS08249 [1,0,0,0,1,0|2,0,0]=4 1530 B9R1.35 Cc1ccc(s1)C(=O)O TS55485 [1,0,0,0,1,0|1,0,0]=3 1531 B9R1.35 Cc1cnc(s1)C(=O)O TS55483 [1,0,0,0,1,0|2,0,0]=4 1532 B9R1.35 Cc1csc(n1)C(=O)O TS71242 [1,0,0,0,1,0|2,0,0]=4 1533 B9R1.35 Cc1nc(co1)C(=O)O TS05235 [1,0,0,0,1,0|2,0,0]=4 1534 B9R1.35 Cc1nc(cs1)C(=O)O TS46423 [1,0,0,0,1,0|2,0,0]=4 1535 B9R1.35 Cc1ncc(s1)C(=O)O TS55463 [1,0,0,0,1,0|2,0,0]=4 1536 B9R1.35 Cc1ncc(s1)C(=O)O TS60684 [1,0,0,0,1,0|2,0,0]=4 1537 B9R1.35 Cn1cc(cn1)C(=O)O TS00049 [1,0,0,0,1,0|2,0,0]=4 1538 B9R1.35 Cn1cc(nc1)C(=O)O TS00491 [1,0,0,0,1,0|2,0,0]=4 1539 B9R1.35 Cn1ccc(n1)C(=O)O TS17342 [1,0,0,0,1,0|2,0,0]=4 1540 B9R1.35 Cn1ccc(n1)C(=O)O TS90252 [1,0,0,0,1,0|2,0,0]=4 1541 B9R1.35 c1c(c[nH]c1C(=O)O)Br TS70941 [1,0,0,0,1,0|2,0,0]=4 1542 B9R1.35 c1c(csc1Br)C(=O)O TS88084 [1,0,0,0,1,0|2,0,0]=4 1543 B9R1.35 c1c(csc1C(=O)O)Br TS56357 [1,0,0,0,1,0|2,0,0]=4 1544 B9R1.35 c1c(csc1C(=O)O)Cl TS42530 [1,0,0,0,1,0|2,0,0]=4 1545 B9R1.35 c1c(csc1C(=O)O)F TS09710 [1,0,0,0,1,0|2,0,0]=4 1546 B9R1.35 c1c(csc1C(=O)O)N TS14480 [1,0,0,0,1,0|2,0,0]=4 1547 B9R1.35 c1c(csc1Cl)C(=O)O TS71528 [1,0,0,0,1,0|2,0,0]=4 1548 B9R1.35 c1c(csc1F)C(=O)O TS87661 [1,0,0,0,1,0|2,0,0]=4 1549 B9R1.35 c1cc(oc1C(=O)O)Br TS71460 [1,0,0,0,1,0|2,0,0]=4 1550 B9R1.35 c1cc(oc1C(=O)O)Cl TS65152 [1,0,0,0,1,0|2,0,0]=4 1551 B9R1.35 c1cc(oc1C(=O)O)N TS05237 [1,0,0,0,1,0|2,0,0]=4 1552 B9R1.35 c1cc(sc1C(=O)O)Br TS57243 [1,0,0,0,1,0|2,0,0]=4 1553 B9R1.35 c1cc(sc1C(=O)O)Br TS71471 [1,0,0,0,1,0|2,0,0]=4 1554 B9R1.35 c1cc(sc1C(=O)O)Cl TS71525 [1,0,0,0,1,0|2,0,0]=4 1555 B9R1.35 c1cc(sc1C(=O)O)F TS40370 [1,0,0,0,1,0|2,0,0]=4 1556 B9R1.41 CC(=O)c1cccn1C TS04953 [1,0,0,0,1,0|2,0,0]=4 1557 B9R1.41 Cc1c(c[nH]n1)C(=O)O TS05143 [1,0,0,0,1,0|2,0,0]=4 1558 B9R1.41 Cc1c(cco1)C(=O)Cl TS40263 [1,0,0,0,1,0|2,0,0]=4 1559 B9R1.41 Cc1c(cco1)C(=O)O TS05139 [1,0,0,0,1,0|1,0,0]=3 1560 B9R1.41 Cc1c(ccs1)C(=O)N TS37500 [1,0,0,0,1,0|2,0,0]=4 1561 B9R1.41 Cc1c(cno1)C(=O)O TS39785 [1,0,0,0,1,0|2,0,0]=4 1562 B9R1.41 Cc1c(con1)C(=O)O TS02851 [1,0,0,0,1,0|2,0,0]=4 1563 B9R1.41 Cc1c(nco1)C(=O)O TS55474 [1,0,0,0,1,0|2,0,0]=4 1564 B9R1.41 Cc1c(ncs1)C(=O)O TS55484 [1,0,0,0,1,0|2,0,0]=4 1565 B9R1.41 Cc1c(ocn1)C(=O)O TS03173 [1,0,0,0,1,0|2,0,0]=4 1566 B9R1.41 Cc1c(scn1)C(=O)O TS71243 [1,0,0,0,1,0|2,0,0]=4 1567 B9R1.41 Cc1c[nH]cc1C(=O)C TS01987 [1,0,0,0,1,0|2,0,0]=4 1568 B9R1.41 Cc1ccoc1C(=O)Cl TS40264 [1,0,0,0,1,0|2,0,0]=4 1569 B9R1.41 Cc1ccoc1C(=O)O TS70657 [1,0,0,0,1,0|1,0,0]=3 1570 B9R1.41 Cc1ccsc1C(=O)C TS37389 [1,0,0,0,1,0|2,0,0]=4 1571 B9R1.41 Cc1ccsc1C(=O)Cl TS42248 [1,0,0,0,1,0|2,0,0]=4 1572 B9R1.41 Cc1ccsc1C(=O)N TS37501 [1,0,0,0,1,0|2,0,0]=4 1573 B9R1.41 Cc1ccsc1C(=O)O TS70685 [1,0,0,0,1,0|1,0,0]=3 1574 B9R1.41 Cc1cnoc1C(=O)O TS03172 [1,0,0,0,1,0|2,0,0]=4 1575 B9R1.41 Cc1conc1C(=O)O TS05238 [1,0,0,0,1,0|2,0,0]=4 1576 B9R1.41 Cn1c(ccn1)C(=O)O TS16656 [1,0,0,0,1,0|2,0,0]=4 1577 B9R1.41 Cn1cccc1C(=O)O TS46984 [1,0,0,0,1,0|1,0,0]=3 1578 B9R1.41 Cn1ccnc1C(=O)O TS00468 [1,0,0,0,1,0|2,0,0]=4 1579 B9R1.41 Cn1cncc1C(=O)O TS00470 [1,0,0,0,1,0|2,0,0]=4 1580 B9R1.41 c1c(c(cs1)Br)C(=O)O TS09619 [1,0,0,0,1,0|2,0,0]=4 1581 B9R1.41 c1coc(c1Br)C(=O)O TS51224 [1,0,0,0,1,0|2,0,0]=4 1582 B9R1.41 c1coc(c1C(=O)O)Br TS17203 [1,0,0,0,1,0|2,0,0]=4 1583 B9R1.41 c1csc(c1Br)C(=O)O TS09502 [1,0,0,0,1,0|2,0,0]=4 1584 B9R1.41 c1csc(c1C(=O)O)Br TS08315 [1,0,0,0,1,0|2,0,0]=4 1585 B9R1.41 c1csc(c1C(=O)O)Cl TS00972 [1,0,0,0,1,0|2,0,0]=4 1586 B9R1.41 c1csc(c1C(=O)O)F TS07162 [1,0,0,0,1,0|2,0,0]=4 1587 B9R1.41 c1csc(c1C(=O)O)N TS55051 [1,0,0,0,1,0|2,0,0]=4 1588 B9R1.41 c1csc(c1Cl)C(=O)O TS42529 [1,0,0,0,1,0|2,0,0]=4 1589 B9R1.41 c1csc(c1F)C(=O)O TS70577 [1,0,0,0,1,0|2,0,0]=4 1590 B9R1.41 c1csc(c1I)C(=O)O TS28552 [1,0,0,0,1,0|2,0,0]=4 1591 B9R1.41 c1csc(c1N)C(=O)O TS14481 [1,0,0,0,1,0|2,0,0]=4 1592 B9R1.41 c1csc(c1N)C(=O)O TS40071 [1,0,0,0,1,0|2,0,0]=4 1593 B9R1.41 c1csc(c1O)C(=O)O TS40161 [1,0,0,0,1,0|1,0,0]=3 1594 B9R1.21 CCc1ccc(o1)C=O TS32598 [1,0,0,0,1,0|2,0,0]=4 1595 B9R1.21 CCc1ccc(s1)C=O TS06487 [1,0,0,0,1,0|2,0,0]=4 1596 B9R1.21 CSc1ccc([nH]1)C=O TS37496 [1,0,0,0,1,0|1,1,0]=4 1597 B9R1.21 CSc1ccc(s1)C=O TS11041 [1,0,0,0,1,0|1,1,0]=4 1598 B11R1.157 CC(=O)Cc1cccc(c1)Br TS21446 [1,0,0,0,0,1|2,0,0]=4 1599 B11R1.157 CC(=O)Cc1cccc(c1)Cl TS12621 [1,0,0,0,0,1|2,0,0]=4 1600 B11R1.157 CC(=O)Cc1cccc(c1)F TS10165 [1,0,0,0,0,1|2,0,0]=4 1601 B11R1.157 CC(=O)Cc1cccc(c1)O TS40855 [1,0,0,0,0,1|1,0,0]=3 1602 B11R1.157 CC(=O)Nc1cccc(c1)Br TS44446 [1,0,0,0,0,1|2,0,0]=4 1603 B11R1.157 CC(=O)Nc1cccc(c1)Cl TS12719 [1,0,0,0,0,1|2,0,0]=4 1604 B11R1.157 CC(=O)Nc1cccc(c1)F TS10311 [1,0,0,0,0,1|2,0,0]=4 1605 B11R1.157 CC(=O)Nc1cccc(c1)N TS09891 [1,0,0,0,0,1|2,0,0]=4 1606 B11R1.157 CC(=O)Nc1cccc(c1)N TS15731 [1,0,0,0,0,1|2,0,0]=4 1607 B11R1.157 CC(=O)Oc1cccc(c1)F TS41348 [1,0,0,0,0,1|2,0,0]=4 1608 B11R1.157 CC(=O)Oc1cccc(c1)O TS10124 [1,0,0,0,0,1|1,0,0]=3 1609 B11R1.157 Cc1cccc(c1)CC(=O)C TS40649 [1,0,0,0,0,1|1,0,0]=3 1610 B11R1.157 Cc1cccc(c1)CC(=O)Cl TS44949 [1,0,0,0,0,1|1,0,0]=3 1611 B11R1.157 Cc1cccc(c1)CC(=O)O TS40851 [1,0,0,0,0,1|0,0,0]=2 1612 B11R1.157 Cc1cccc(c1)NC(=O)C TS40761 [1,0,0,0,0,1|1,0,0]=3 1613 B11R1.157 Cc1cccc(c1)NC(=O)N TS09889 [1,0,0,0,0,1|1,0,0]=3 1614 B11R1.157 Cc1cccc(c1)NC(=S)N TS12287 [1,0,0,0,0,1|1,1,0]=4 1615 B11R1.157 Cc1cccc(c1)OC(=O)C TS40850 [1,0,0,0,0,1|1,0,0]=3 1616 B11R1.157 Cc1cccc(c1)OC(=O)Cl TS12924 [1,0,0,0,0,1|1,0,0]=3 1617 B11R1.157 Cc1cccc(n1)CC(=O)O TS10024 [1,0,0,0,0,1|1,0,0]=3 1618 B11R1.157 Cc1cccc(n1)NC(=O)C TS09892 [1,0,0,0,0,1|2,0,0]=4 1619 B11R1.157 c1c(cncc1Br)CC(=O)O TS16996 [1,0,0,0,0,1|2,0,0]=4 1620 B11R1.157 c1c(cncc1F)CC(=O)O TS88577 [1,0,0,0,0,1|2,0,0]=4 1621 B11R1.157 c1cc(cc(c1)Br)CC(=O)O TS65959 [1,0,0,0,0,1|1,0,0]=3 1622 B11R1.157 c1cc(cc(c1)Cl)CC(=O)Cl TS50846 [1,0,0,0,0,1|2,0,0]=4 1623 B11R1.157 c1cc(cc(c1)Cl)CC(=O)O TS02722 [1,0,0,0,0,1|1,0,0]=3 1624 B11R1.157 c1cc(cc(c1)Cl)NC(=O)N TS45238 [1,0,0,0,0,1|2,0,0]=4 1625 B11R1.157 c1cc(cc(c1)F)CC(=O)Cl TS13264 [1,0,0,0,0,1|2,0,0]=4 1626 B11R1.157 c1cc(cc(c1)F)CC(=O)O TS01567 [1,0,0,0,0,1|1,0,0]=3 1627 B11R1.157 c1cc(cc(c1)I)CC(=O)O TS70632 [1,0,0,0,0,1|1,0,0]=3 1628 B11R1.157 c1cc(cc(c1)N)CC(=O)O TS65876 [1,0,0,0,0,1|1,0,0]=3 1629 B11R1.157 c1cc(cc(c1)NC(=O)N)N TS10043 [1,0,0,0,0,1|2,0,0]=4 1630 B11R1.157 c1cc(cc(c1)NC(=O)N)N TS50627 [1,0,0,0,0,1|2,0,0]=4 1631 B11R1.157 c1cc(cc(c1)O)CC(=O)O TS02792 [1,0,0,0,0,1|0,0,0]=2 1632 B11R1.157 c1cc(cc(c1)O)NC(=S)N TS44894 [1,0,0,0,0,1|1,1,0]=4 1633 B11R1.157 c1cnc(cc1CC(=O)O)Br TS44775 [1,0,0,0,0,1|2,0,0]=4 1634 B11R1.157 c1cnc(cc1CC(=O)O)N TS10152 [1,0,0,0,0,1|2,0,0]=4 1635 B11R1.3 B(c1ccc(cc1)OC)(O)O TS93919 [0,0,0,0,1,1|1,0,1]=4 1636 B11R1.3 B(c1ccc(nc1)OC)(O)O TS50971 [0,0,0,0,1,1|1,0,1]=4 1637 B11R1.3 C#Cc1ccc(cc1)C(=O)O TS71111 [0,0,0,0,1,1|1,0,1]=4 1638 B11R1.3 C=Cc1ccc(cc1)C(=O)O TS71307 [0,0,0,0,1,1|1,0,1]=4 1639 B11R1.3 CC(=O)c1ccc(cc1)OC TS40842 [0,0,0,0,1,1|1,0,0]=3 1640 B11R1.3 CC(=O)c1ccc(cc1)SC TS70785 [0,0,0,0,1,1|1,1,0]=4 1641 B11R1.3 CC(=O)c1ccc(cn1)OC TS86710 [0,0,0,0,1,1|1,0,0]=3 1642 B11R1.3 CC(=O)c1ccc(nc1)OC TS22855 [0,0,0,0,1,1|1,0,0]=3 1643 B11R1.3 CC(c1ccc(cc1)OC)O TS10179 [0,0,0,0,1,1|1,0,1]=4 1644 B11R1.3 CCc1ccc(cc1)C(=O)C TS40659 [0,0,0,0,1,1|2,0,0]=4 1645 B11R1.3 CCc1ccc(cc1)C(=O)Cl TS12610 [0,0,0,0,1,1|2,0,0]=4 1646 B11R1.3 CCc1ccc(cc1)C(=O)N TS40757 [0,0,0,0,1,1|2,0,0]=4 1647 B11R1.3 CCc1ccc(cc1)C(=O)O TS40858 [0,0,0,0,1,1|1,0,0]=3 1648 B11R1.3 CCc1ccc(nc1)C(=O)O TS40993 [0,0,0,0,1,1|1,0,0]=3 1649 B11R1.3 CNc1ccc(cc1)C(=O)O TS10016 [0,0,0,0,1,1|1,0,0]=3 1650 B11R1.3 COc1ccc(cc1)C(=N)N TS15734 [0,0,0,0,1,1|2,0,0]=4 1651 B11R1.3 COc1ccc(cc1)C(=O)Cl TS00259 [0,0,0,0,1,1|1,0,0]=3 1652 B11R1.3 COc1ccc(cc1)C(=O)N TS10033 [0,0,0,0,1,1|1,0,0]=3 1653 B11R1.3 COc1ccc(cc1)C(=O)O TS92947 [0,0,0,0,1,1|0,0,0]=2 1654 B11R1.3 COc1ccc(cc1)C(=O)[O-] TS51125 [0,0,0,0,1,1|0,0,1]=3 1655 B11R1.3 COc1ccc(cc1)C(=S)N TS12413 [0,0,0,0,1,1|1,1,0]=4 1656 B11R1.3 COc1ccc(cc1)[N+](=O)[O-] TS41252 [0,0,0,0,1,1|1,0,1]=4 1657 B11R1.3 COc1ccc(cn1)C(=O)O TS01098 [0,0,0,0,1,1|0,0,0]=2 1658 B11R1.3 COc1ccc(cn1)C(=S)N TS44893 [0,0,0,0,1,1|1,1,0]=4 1659 B11R1.3 COc1ccc(cn1)[N+](=O)[O-] TS01097 [0,0,0,0,1,1|1,0,1]=4 1660 B11R1.3 COc1ccc(nc1)C(=O)O TS03355 [0,0,0,0,1,1|0,0,0]=2 1661 B11R1.3 COc1ncc(cn1)C(=O)O TS41335 [0,0,0,0,1,1|1,0,0]=3 1662 B11R1.3 CSc1ccc(cc1)C(=O)O TS44887 [0,0,0,0,1,1|0,1,0]=3 1663 B11R1.3 CSc1ncc(cn1)C(=O)O TS87353 [0,0,0,0,1,1|1,1,0]=4 1664 B11R1.3 c1cc(ccc1C#N)C(=O)O TS03058 [0,0,0,0,1,1|2,0,0]=4 1665 B11R1.3 c1cc(ccc1C(=O)O)NN TS41114 [0,0,0,0,1,1|2,0,0]=4 1666 B11R1.3 c1cc(ccc1C(=O)O)NN TS50823 [0,0,0,0,1,1|2,0,0]=4 1667 B11R1.3 c1cc(ccc1C(=O)O)[Hg]Cl TS79372 [0,0,0,0,1,1|2,0,0]=4 1668 B11R1.3 c1cc(ccc1C=O)C(=O)O TS33166 [0,0,0,0,1,1|2,0,0]=4 1669 B11R1.3 c1cc(ccc1CBr)C(=O)O TS44637 [0,0,0,0,1,1|2,0,0]=4 1670 B11R1.3 c1cc(ccc1CCl)C(=O)O TS12925 [0,0,0,0,1,1|2,0,0]=4 1671 B11R1.3 c1cc(ccc1CN)C(=O)O TS16888 [0,0,0,0,1,1|2,0,0]=4 1672 B11R1.3 c1cc(ccc1CO)C(=O)O TS10123 [0,0,0,0,1,1|2,0,0]=4 1673 B11R1.3 c1cc(ncc1C(=O)O)C#N TS32671 [0,0,0,0,1,1|2,0,0]=4 1674 B11R1.3 c1cc(ncc1C(=O)O)NN TS02276 [0,0,0,0,1,1|2,0,0]=4 1675 B13R1.643 CC(COc1cccc(c1)OC)O TS48260 [0,0,0,0,0,2|1,0,1]=4 1676 B13R1.643 COc1cccc(c1)C=CC(=O)O TS47520 [0,0,0,0,0,2|0,0,0]=2 1677 B13R1.643 COc1cccc(c1)C=C[N+](=O)[O-] TS14369 [0,0,0,0,0,2|1,0,1]=4 1678 B13R1.643 COc1cccc(c1)CCC(=O)O TS09414 [0,0,0,0,0,2|0,0,0]=2 1679 B13R1.643 COc1cccc(c1)CNC(=S)N TS53709 [0,0,0,0,0,2|1,1,0]=4 1680 B13R1.643 COc1cccc(c1)OCC(=O)O TS14915 [0,0,0,0,0,2|0,0,0]=2 1681 B13R1.643 c1cc(cc(c1)C#N)C=CC(=O)O TS13302 [0,0,0,0,0,2|2,0,0]=4 1682 B13R1.643 c1cc(cc(c1)C#N)CCC(=O)O TS13677 [0,0,0,0,0,2|2,0,0]=4 1683 B13R1.643 c1cc(cc(c1)C=O)CCC(=O)O TS14169 [0,0,0,0,0,2|2,0,0]=4 1684 B13R1.643 c1cc(cc(c1)OCC(=O)O)C=O TS14542 [0,0,0,0,0,2|2,0,0]=4