0 B10R1.13 B(c1ccc(cc1)Br)(O)O TS71004 [0,0,0,0,0,0|4,0,0]=4 1 B10R1.13 B(c1ccc(cc1)C)(O)O TS06030 [0,0,0,0,0,0|3,0,0]=3 2 B10R1.13 B(c1ccc(cc1)Cl)(O)O TS10782 [0,0,0,0,0,0|4,0,0]=4 3 B10R1.13 B(c1ccc(cc1)I)(O)O TS93847 [0,0,0,0,0,0|4,0,0]=4 4 B10R1.13 B(c1ccc(cc1)N)(O)O TS94631 [0,0,0,0,0,0|4,0,0]=4 5 B10R1.13 B(c1ccc(cc1)O)(O)O TS94040 [0,0,0,0,0,0|4,0,0]=4 6 B10R1.13 B(c1ccc(cc1)S)(O)O TS71196 [0,0,0,0,0,0|4,0,0]=4 7 B10R1.13 B(c1ccc(nc1)C)(O)O TS55461 [0,0,0,0,0,0|4,0,0]=4 8 B10R1.13 B(c1ccc(nc1)C)(O)S TS01189 [0,0,0,0,0,0|4,0,0]=4 9 B10R1.13 CC(=C)c1ccc(cc1)Cl TS41219 [0,0,0,0,0,0|1,0,2]=3 10 B10R1.13 CC(=C)c1ccc(cc1)F TS36996 [0,0,0,0,0,0|1,0,2]=3 11 B10R1.13 CC(=O)c1ccc(cc1)Cl TS71057 [0,0,0,0,0,0|2,0,1]=3 12 B10R1.13 CC(=O)c1ccc(cc1)F TS93776 [0,0,0,0,0,0|2,0,1]=3 13 B10R1.13 CC(=O)c1ccc(cc1)I TS71192 [0,0,0,0,0,0|2,0,1]=3 14 B10R1.13 CC(=O)c1ccc(cc1)N TS39574 [0,0,0,0,0,0|2,0,1]=3 15 B10R1.13 CC(=O)c1ccc(cc1)N TS45381 [0,0,0,0,0,0|2,0,1]=3 16 B10R1.13 CC(=O)c1ccc(cn1)Br TS08248 [0,0,0,0,0,0|3,0,1]=4 17 B10R1.13 CC(=O)c1ccc(cn1)O TS33043 [0,0,0,0,0,0|3,0,1]=4 18 B10R1.13 CC(=O)c1ccc(nc1)Br TS46737 [0,0,0,0,0,0|3,0,1]=4 19 B10R1.13 CC(=O)c1ccc(nc1)F TS46740 [0,0,0,0,0,0|3,0,1]=4 20 B10R1.13 CC(=O)c1ccn(=O)cc1 TS06168 [0,0,0,0,0,0|3,0,1]=4 21 B10R1.13 CC(C)c1ccc(cc1)Br TS00030 [0,0,0,0,0,0|1,0,0]=1 22 B10R1.13 CC(C)c1ccc(cc1)F TS06283 [0,0,0,0,0,0|1,0,0]=1 23 B10R1.13 CC(C)c1ccc(cc1)I TS27405 [0,0,0,0,0,0|1,0,0]=1 24 B10R1.13 CC(C)c1ccc(cc1)N TS39757 [0,0,0,0,0,0|1,0,0]=1 25 B10R1.13 CC(C)c1ccc(cc1)O TS06072 [0,0,0,0,0,0|1,0,0]=1 26 B10R1.13 CC(C)c1ccc(cc1)S TS41192 [0,0,0,0,0,0|1,0,0]=1 27 B10R1.13 CC(C)c1ccc(cn1)N TS88530 [0,0,0,0,0,0|2,0,0]=2 28 B10R1.13 CC(C)c1ccc(cn1)O TS06186 [0,0,0,0,0,0|2,0,0]=2 29 B10R1.13 CC(C)c1cnc(nc1)N TS71578 [0,0,0,0,0,0|3,0,0]=3 30 B10R1.13 CC(C)c1ncc(cn1)Br TS88647 [0,0,0,0,0,0|3,0,0]=3 31 B10R1.13 CC(c1ccc(cc1)Cl)N TS10633 [0,0,0,0,0,0|2,0,0]=2 32 B10R1.13 CC(c1ccc(cc1)Cl)O TS10801 [0,0,0,0,0,0|2,0,0]=2 33 B10R1.13 CC(c1ccc(cc1)F)O TS46723 [0,0,0,0,0,0|2,0,0]=2 34 B10R1.13 CC(c1ccc(cc1)N)O TS37111 [0,0,0,0,0,0|2,0,0]=2 35 B10R1.13 CC(c1ccc(cc1)O)O TS06269 [0,0,0,0,0,0|2,0,0]=2 36 B10R1.13 CC(c1ccc(cn1)F)N TS89780 [0,0,0,0,0,0|3,0,0]=3 37 B10R1.13 CC(c1ncc(cn1)F)N TS85834 [0,0,0,0,0,0|4,0,0]=4 38 B10R1.13 CC1=CCC(=C(C)C)CC1 TS37048 [0,0,0,0,0,0|0,0,4]=4 39 B10R1.13 CC1=CCC(C=C1)C(C)C TS37056 [0,0,0,0,0,0|0,0,2]=2 40 B10R1.13 CC1=CC[C@@H](C=C1)C(C)C TS37050 [0,0,0,0,0,0|0,0,2]=2 41 B10R1.13 CC1=CC[C@@H](CC1)C(C)C TS06322 [0,0,0,0,0,0|0,0,4]=4 42 B10R1.13 CN(C)c1ccc(cc1)Br TS39551 [0,0,0,0,0,0|2,0,0]=2 43 B10R1.13 CN(C)c1ccc(cc1)F TS37295 [0,0,0,0,0,0|2,0,0]=2 44 B10R1.13 CN(C)c1ccc(cc1)I TS27558 [0,0,0,0,0,0|2,0,0]=2 45 B10R1.13 CN(C)c1ccc(cc1)N TS24168 [0,0,0,0,0,0|2,0,0]=2 46 B10R1.13 CN(C)c1ccc(cc1)N TS37038 [0,0,0,0,0,0|2,0,0]=2 47 B10R1.13 CN(C)c1ccc(cc1)S TS10342 [0,0,0,0,0,0|2,0,0]=2 48 B10R1.13 CN(C)c1ccc(cn1)N TS43731 [0,0,0,0,0,0|3,0,0]=3 49 B10R1.13 CN(C)c1ccc(cn1)N TS90829 [0,0,0,0,0,0|3,0,0]=3 50 B10R1.13 CN(C)c1ncc(cn1)Br TS08046 [0,0,0,0,0,0|4,0,0]=4 51 B10R1.13 CS(=O)c1ccc(cc1)Br TS49559 [0,0,0,0,0,0|3,0,0]=3 52 B10R1.13 CS(=O)c1ccc(cc1)Cl TS45877 [0,0,0,0,0,0|3,0,0]=3 53 B10R1.13 CS(=O)c1ccc(cc1)O TS10695 [0,0,0,0,0,0|3,0,0]=3 54 B10R1.13 C[C@@H](c1ccc(cc1)Br)N TS08104 [0,0,0,0,0,0|2,0,0]=2 55 B10R1.13 C[C@@H](c1ccc(cc1)Br)O TS38046 [0,0,0,0,0,0|2,0,0]=2 56 B10R1.13 C[C@@H](c1ccc(cc1)Cl)N TS41561 [0,0,0,0,0,0|2,0,0]=2 57 B10R1.13 C[C@@H](c1ccc(cc1)Cl)O TS41711 [0,0,0,0,0,0|2,0,0]=2 58 B10R1.13 C[C@@H](c1ccc(cc1)F)N TS39575 [0,0,0,0,0,0|2,0,0]=2 59 B10R1.13 C[C@@H](c1ccc(cc1)F)O TS06456 [0,0,0,0,0,0|2,0,0]=2 60 B10R1.13 C[C@@H](c1ccc(cc1)N)N TS20700 [0,0,0,0,0,0|2,0,0]=2 61 B10R1.13 C[C@H](c1ccc(cc1)Br)O TS38043 [0,0,0,0,0,0|2,0,0]=2 62 B10R1.13 C[C@H](c1ccc(cc1)Cl)N TS10630 [0,0,0,0,0,0|2,0,0]=2 63 B10R1.13 C[C@H](c1ccc(cc1)Cl)O TS41729 [0,0,0,0,0,0|2,0,0]=2 64 B10R1.13 C[C@H](c1ccc(cc1)F)O TS06452 [0,0,0,0,0,0|2,0,0]=2 65 B10R1.13 C[C@H](c1ccc(cc1)N)N TS20699 [0,0,0,0,0,0|2,0,0]=2 66 B10R1.13 C[n+]1ccc(cc1)C(=O)O TS13411 [0,0,0,0,0,0|3,0,1]=4 67 B10R1.13 Cc1ccc(cc1)C(=C)C TS36715 [0,0,0,0,0,0|0,0,2]=2 68 B10R1.13 Cc1ccc(cc1)C(=N)N TS12939 [0,0,0,0,0,0|2,0,1]=3 69 B10R1.13 Cc1ccc(cc1)C(=O)C TS03169 [0,0,0,0,0,0|1,0,1]=2 70 B10R1.13 Cc1ccc(cc1)C(=O)Cl TS01653 [0,0,0,0,0,0|2,0,1]=3 71 B10R1.13 Cc1ccc(cc1)C(=O)N TS36926 [0,0,0,0,0,0|2,0,1]=3 72 B10R1.13 Cc1ccc(cc1)C(=O)O TS39764 [0,0,0,0,0,0|2,0,1]=3 73 B10R1.13 Cc1ccc(cc1)C(=S)N TS41055 [0,0,0,0,0,0|2,0,1]=3 74 B10R1.13 Cc1ccc(cc1)C(C)C TS36855 [0,0,0,0,0,0|0,0,0]=0 75 B10R1.13 Cc1ccc(cc1)C(C)C TS84159 [0,0,0,0,0,0|0,0,0]=0 76 B10R1.13 Cc1ccc(cc1)C(C)N TS46732 [0,0,0,0,0,0|1,0,0]=1 77 B10R1.13 Cc1ccc(cc1)C(C)O TS37018 [0,0,0,0,0,0|1,0,0]=1 78 B10R1.13 Cc1ccc(cc1)C(Cl)Cl TS13626 [0,0,0,0,0,0|2,0,0]=2 79 B10R1.13 Cc1ccc(cc1)N(C)C TS34593 [0,0,0,0,0,0|1,0,0]=1 80 B10R1.13 Cc1ccc(cc1)S(=O)C TS10470 [0,0,0,0,0,0|2,0,0]=2 81 B10R1.13 Cc1ccc(cc1)S(=O)C TS10472 [0,0,0,0,0,0|2,0,0]=2 82 B10R1.13 Cc1ccc(cc1)S(=O)Cl TS45876 [0,0,0,0,0,0|3,0,0]=3 83 B10R1.13 Cc1ccc(cc1)S(=O)N TS10591 [0,0,0,0,0,0|3,0,0]=3 84 B10R1.13 Cc1ccc(cc1)S(=O)N TS10598 [0,0,0,0,0,0|3,0,0]=3 85 B10R1.13 Cc1ccc(cc1)S(=O)[O-] TS39762 [0,0,0,0,0,0|3,0,0]=3 86 B10R1.13 Cc1ccc(cc1)S(=O)[O-] TS42392 [0,0,0,0,0,0|3,0,0]=3 87 B10R1.13 Cc1ccc(cc1)S(=O)[O-] TS67027 [0,0,0,0,0,0|3,0,0]=3 88 B10R1.13 Cc1ccc(cc1)[C@@H](C)N TS00309 [0,0,0,0,0,0|1,0,0]=1 89 B10R1.13 Cc1ccc(cc1)[C@@H](C)N TS06017 [0,0,0,0,0,0|1,0,0]=1 90 B10R1.13 Cc1ccc(cc1)[C@H](C)N TS08092 [0,0,0,0,0,0|1,0,0]=1 91 B10R1.13 Cc1ccc(cc1)[N+](=O)[O-] TS37094 [0,0,0,0,0,0|3,0,0]=3 92 B10R1.13 Cc1ccc(cn1)C(=O)C TS03210 [0,0,0,0,0,0|2,0,1]=3 93 B10R1.13 Cc1ccc(cn1)C(=O)N TS06052 [0,0,0,0,0,0|3,0,1]=4 94 B10R1.13 Cc1ccc(cn1)C(=O)O TS01267 [0,0,0,0,0,0|3,0,1]=4 95 B10R1.13 Cc1ccc(cn1)C(=S)N TS41172 [0,0,0,0,0,0|3,0,1]=4 96 B10R1.13 Cc1ccc(cn1)[N+](=O)[O-] TS55458 [0,0,0,0,0,0|4,0,0]=4 97 B10R1.13 Cc1ccc(nc1)C(=O)C TS36938 [0,0,0,0,0,0|2,0,1]=3 98 B10R1.13 Cc1ccc(nc1)C(=O)O TS01161 [0,0,0,0,0,0|3,0,1]=4 99 B10R1.13 Cc1ccc(nc1)C(C)N TS37026 [0,0,0,0,0,0|2,0,0]=2 100 B10R1.13 Cc1ccc(nc1)[N+](=O)[O-] TS06235 [0,0,0,0,0,0|4,0,0]=4 101 B10R1.13 c1cc(ccc1C(=N)N)Br TS09590 [0,0,0,0,0,0|3,0,1]=4 102 B10R1.13 c1cc(ccc1C(=N)N)Br TS39740 [0,0,0,0,0,0|3,0,1]=4 103 B10R1.13 c1cc(ccc1C(=N)N)Cl TS33150 [0,0,0,0,0,0|3,0,1]=4 104 B10R1.13 c1cc(ccc1C(=N)N)Cl TS54571 [0,0,0,0,0,0|3,0,1]=4 105 B10R1.13 c1cc(ccc1C(=N)N)Cl TS71058 [0,0,0,0,0,0|3,0,1]=4 106 B10R1.13 c1cc(ccc1C(=N)N)F TS03080 [0,0,0,0,0,0|3,0,1]=4 107 B10R1.13 c1cc(ccc1C(=N)N)I TS54570 [0,0,0,0,0,0|3,0,1]=4 108 B10R1.13 c1cc(ccc1C(=N)N)N TS45388 [0,0,0,0,0,0|3,0,1]=4 109 B10R1.13 c1cc(ccc1C(=N)N)N TS70909 [0,0,0,0,0,0|3,0,1]=4 110 B10R1.13 c1cc(ccc1C(=N)N)O TS59618 [0,0,0,0,0,0|3,0,1]=4 111 B10R1.13 c1cc(ccc1C(=O)Cl)Br TS49661 [0,0,0,0,0,0|3,0,1]=4 112 B10R1.13 c1cc(ccc1C(=O)Cl)Cl TS33153 [0,0,0,0,0,0|3,0,1]=4 113 B10R1.13 c1cc(ccc1C(=O)Cl)F TS03086 [0,0,0,0,0,0|3,0,1]=4 114 B10R1.13 c1cc(ccc1C(=O)Cl)I TS07802 [0,0,0,0,0,0|3,0,1]=4 115 B10R1.13 c1cc(ccc1C(=O)N)Br TS18936 [0,0,0,0,0,0|3,0,1]=4 116 B10R1.13 c1cc(ccc1C(=O)N)Cl TS10614 [0,0,0,0,0,0|3,0,1]=4 117 B10R1.13 c1cc(ccc1C(=O)N)F TS37268 [0,0,0,0,0,0|3,0,1]=4 118 B10R1.13 c1cc(ccc1C(=O)N)I TS71195 [0,0,0,0,0,0|3,0,1]=4 119 B10R1.13 c1cc(ccc1C(=O)N)N TS39733 [0,0,0,0,0,0|3,0,1]=4 120 B10R1.13 c1cc(ccc1C(=O)N)O TS71168 [0,0,0,0,0,0|3,0,1]=4 121 B10R1.13 c1cc(ccc1C(=O)O)Br TS09594 [0,0,0,0,0,0|3,0,1]=4 122 B10R1.13 c1cc(ccc1C(=O)O)Cl TS10787 [0,0,0,0,0,0|3,0,1]=4 123 B10R1.13 c1cc(ccc1C(=O)O)F TS03084 [0,0,0,0,0,0|3,0,1]=4 124 B10R1.13 c1cc(ccc1C(=O)O)I TS09716 [0,0,0,0,0,0|3,0,1]=4 125 B10R1.13 c1cc(ccc1C(=O)O)N TS08869 [0,0,0,0,0,0|3,0,1]=4 126 B10R1.13 c1cc(ccc1C(=O)O)N TS13413 [0,0,0,0,0,0|3,0,1]=4 127 B10R1.13 c1cc(ccc1C(=O)O)O TS09131 [0,0,0,0,0,0|3,0,1]=4 128 B10R1.13 c1cc(ccc1C(=O)O)S TS39758 [0,0,0,0,0,0|3,0,1]=4 129 B10R1.13 c1cc(ccc1C(=O)[O-])Cl TS14298 [0,0,0,0,0,0|3,0,1]=4 130 B10R1.13 c1cc(ccc1C(=O)[O-])F TS11488 [0,0,0,0,0,0|3,0,1]=4 131 B10R1.13 c1cc(ccc1C(=O)[O-])N TS58696 [0,0,0,0,0,0|3,0,1]=4 132 B10R1.13 c1cc(ccc1C(=O)[O-])O TS42110 [0,0,0,0,0,0|3,0,1]=4 133 B10R1.13 c1cc(ccc1C(=O)[O-])O TS46099 [0,0,0,0,0,0|3,0,1]=4 134 B10R1.13 c1cc(ccc1C(=S)N)Br TS21979 [0,0,0,0,0,0|3,0,1]=4 135 B10R1.13 c1cc(ccc1C(=S)N)Cl TS09015 [0,0,0,0,0,0|3,0,1]=4 136 B10R1.13 c1cc(ccc1C(=S)N)F TS41515 [0,0,0,0,0,0|3,0,1]=4 137 B10R1.13 c1cc(ccc1C(=S)N)N TS10202 [0,0,0,0,0,0|3,0,1]=4 138 B10R1.13 c1cc(ccc1C(=S)N)O TS03140 [0,0,0,0,0,0|3,0,1]=4 139 B10R1.13 c1cc(ccc1C(Cl)Cl)Cl TS52070 [0,0,0,0,0,0|3,0,0]=3 140 B10R1.13 c1cc(ccc1C(Cl)Cl)F TS47663 [0,0,0,0,0,0|3,0,0]=3 141 B10R1.13 c1cc(ccc1C(F)F)Br TS00409 [0,0,0,0,0,0|3,0,0]=3 142 B10R1.13 c1cc(ccc1Cl)[Se](=O)O TS50375 [0,0,0,0,0,0|4,0,0]=4 143 B10R1.13 c1cc(ccc1F)S(=O)[O-] TS01688 [0,0,0,0,0,0|4,0,0]=4 144 B10R1.13 c1cc(ccc1N(=O)=O)F TS03096 [0,0,0,0,0,0|4,0,0]=4 145 B10R1.13 c1cc(ccc1N)[N+](=O)[O-] TS09744 [0,0,0,0,0,0|4,0,0]=4 146 B10R1.13 c1cc(ccc1S(=O)[O-])Br TS54208 [0,0,0,0,0,0|4,0,0]=4 147 B10R1.13 c1cc(ccc1S(=O)[O-])Cl TS18735 [0,0,0,0,0,0|4,0,0]=4 148 B10R1.13 c1cc(ccc1[N+](=O)[O-])Br TS00415 [0,0,0,0,0,0|4,0,0]=4 149 B10R1.13 c1cc(ccc1[N+](=O)[O-])Cl TS41832 [0,0,0,0,0,0|4,0,0]=4 150 B10R1.13 c1cc(ccc1[N+](=O)[O-])I TS09204 [0,0,0,0,0,0|4,0,0]=4 151 B10R1.13 c1cc(ccc1[N+](=O)[O-])O TS06354 [0,0,0,0,0,0|4,0,0]=4 152 B10R1.13 c1cc(ccc1[N+](=O)[O-])O TS92945 [0,0,0,0,0,0|4,0,0]=4 153 B10R1.13 c1cc(ccc1[N+](=O)[O-])S TS41511 [0,0,0,0,0,0|4,0,0]=4 154 B9R1.1 C#Cc1ccc(cc1)Br TS39997 [1,0,0,0,0,0|1,0,2]=4 155 B9R1.1 C#Cc1ccc(cc1)Cl TS46931 [1,0,0,0,0,0|1,0,2]=4 156 B9R1.1 C#Cc1ccc(cc1)F TS07664 [1,0,0,0,0,0|1,0,2]=4 157 B9R1.1 C#Cc1ccc(cc1)N TS04675 [1,0,0,0,0,0|1,0,2]=4 158 B9R1.1 C#Cc1ccc(cc1)O TS71112 [1,0,0,0,0,0|1,0,2]=4 159 B9R1.1 C=Cc1ccc(cc1)Br TS48376 [1,0,0,0,0,0|1,0,2]=4 160 B9R1.1 C=Cc1ccc(cc1)Cl TS37254 [1,0,0,0,0,0|1,0,2]=4 161 B9R1.1 C=Cc1ccc(cc1)F TS32505 [1,0,0,0,0,0|1,0,2]=4 162 B9R1.1 C=Cc1ccc(cc1)N TS04791 [1,0,0,0,0,0|1,0,2]=4 163 B9R1.1 C=Cc1ccc(cc1)O TS71308 [1,0,0,0,0,0|1,0,2]=4 164 B9R1.1 CCc1ccc(cc1)Br TS01944 [1,0,0,0,0,0|1,0,0]=2 165 B9R1.1 CCc1ccc(cc1)Cl TS37449 [1,0,0,0,0,0|1,0,0]=2 166 B9R1.1 CCc1ccc(cc1)F TS05030 [1,0,0,0,0,0|1,0,0]=2 167 B9R1.1 CCc1ccc(cc1)I TS25158 [1,0,0,0,0,0|1,0,0]=2 168 B9R1.1 CCc1ccc(cc1)N TS04870 [1,0,0,0,0,0|1,0,0]=2 169 B9R1.1 CCc1ccc(cc1)O TS04905 [1,0,0,0,0,0|1,0,0]=2 170 B9R1.1 CCc1ccc(cc1)S TS06298 [1,0,0,0,0,0|1,0,0]=2 171 B9R1.1 CCc1ccc(cc1)[Zn+] TS55970 [1,0,0,0,0,0|1,0,0]=2 172 B9R1.1 CCc1ccc(nc1)C TS32477 [1,0,0,0,0,0|1,0,0]=2 173 B9R1.1 CCc1ccc(nc1)O TS04959 [1,0,0,0,0,0|2,0,0]=3 174 B9R1.1 CCc1cnc(nc1)Cl TS55238 [1,0,0,0,0,0|3,0,0]=4 175 B9R1.1 CCc1cnc(nc1)N TS03294 [1,0,0,0,0,0|3,0,0]=4 176 B9R1.1 CCc1ncc(cn1)N TS86011 [1,0,0,0,0,0|3,0,0]=4 177 B9R1.1 CN1C=CC(=CN1)CN TS89058 [1,0,0,0,0,0|3,0,0]=4 178 B9R1.1 CNc1ccc(cc1)Br TS48830 [1,0,0,0,0,0|2,0,0]=3 179 B9R1.1 CNc1ccc(cc1)Cl TS37534 [1,0,0,0,0,0|2,0,0]=3 180 B9R1.1 CNc1ccc(cc1)F TS36055 [1,0,0,0,0,0|2,0,0]=3 181 B9R1.1 CNc1ccc(cc1)I TS32640 [1,0,0,0,0,0|2,0,0]=3 182 B9R1.1 CNc1ccc(cc1)N TS04921 [1,0,0,0,0,0|2,0,0]=3 183 B9R1.1 CNc1ccc(cc1)N TS17998 [1,0,0,0,0,0|2,0,0]=3 184 B9R1.1 CNc1ccc(cc1)O TS04963 [1,0,0,0,0,0|2,0,0]=3 185 B9R1.1 CNc1ccc(cc1)O TS78698 [1,0,0,0,0,0|2,0,0]=3 186 B9R1.1 CNc1ccc(nc1)Br TS49023 [1,0,0,0,0,0|3,0,0]=4 187 B9R1.1 COc1ccc(cc1)Cl TS37682 [1,0,0,0,0,0|2,0,0]=3 188 B9R1.1 COc1ccc(cc1)F TS32969 [1,0,0,0,0,0|2,0,0]=3 189 B9R1.1 COc1ccc(cc1)I TS59516 [1,0,0,0,0,0|2,0,0]=3 190 B9R1.1 COc1ccc(cc1)N TS01634 [1,0,0,0,0,0|2,0,0]=3 191 B9R1.1 COc1ccc(cc1)N TS11193 [1,0,0,0,0,0|2,0,0]=3 192 B9R1.1 COc1ccc(cc1)N TS93025 [1,0,0,0,0,0|2,0,0]=3 193 B9R1.1 COc1ccc(cc1)O TS02083 [1,0,0,0,0,0|2,0,0]=3 194 B9R1.1 COc1ccc(cc1)S TS06486 [1,0,0,0,0,0|2,0,0]=3 195 B9R1.1 COc1ccc(cc1)[Zn+] TS74539 [1,0,0,0,0,0|2,0,0]=3 196 B9R1.1 COc1ccc(cn1)Br TS09790 [1,0,0,0,0,0|3,0,0]=4 197 B9R1.1 COc1ccc(cn1)Cl TS71503 [1,0,0,0,0,0|3,0,0]=4 198 B9R1.1 COc1ccc(cn1)F TS71544 [1,0,0,0,0,0|3,0,0]=4 199 B9R1.1 COc1ccc(cn1)I TS01075 [1,0,0,0,0,0|3,0,0]=4 200 B9R1.1 COc1ccc(cn1)N TS05017 [1,0,0,0,0,0|3,0,0]=4 201 B9R1.1 COc1ccc(cn1)O TS71568 [1,0,0,0,0,0|3,0,0]=4 202 B9R1.1 COc1ccc(nc1)Br TS08354 [1,0,0,0,0,0|3,0,0]=4 203 B9R1.1 COc1ccc(nc1)Cl TS00910 [1,0,0,0,0,0|3,0,0]=4 204 B9R1.1 COc1ccc(nc1)N TS47440 [1,0,0,0,0,0|3,0,0]=4 205 B9R1.1 COc1ccn(=O)cc1 TS71219 [1,0,0,0,0,0|3,0,0]=4 206 B9R1.1 CSc1ccc(cc1)Br TS09618 [1,0,0,0,0,0|2,0,0]=3 207 B9R1.1 CSc1ccc(cc1)Cl TS42001 [1,0,0,0,0,0|2,0,0]=3 208 B9R1.1 CSc1ccc(cc1)F TS06687 [1,0,0,0,0,0|2,0,0]=3 209 B9R1.1 CSc1ccc(cc1)I TS27986 [1,0,0,0,0,0|2,0,0]=3 210 B9R1.1 CSc1ccc(cc1)N TS06394 [1,0,0,0,0,0|2,0,0]=3 211 B9R1.1 CSc1ccc(cc1)O TS37396 [1,0,0,0,0,0|2,0,0]=3 212 B9R1.1 CSc1ccc(cc1)S TS41710 [1,0,0,0,0,0|2,0,0]=3 213 B9R1.1 CSc1ccc(cc1)[Zn+] TS76796 [1,0,0,0,0,0|2,0,0]=3 214 B9R1.1 CSc1ccc(cn1)Br TS71433 [1,0,0,0,0,0|3,0,0]=4 215 B9R1.1 CSc1ccc(nc1)N TS37399 [1,0,0,0,0,0|3,0,0]=4 216 B9R1.1 C[n+]1ccc(cc1)C#N TS62240 [1,0,0,0,0,0|2,0,1]=4 217 B9R1.1 Cc1ccc(cc1)C#C TS32874 [1,0,0,0,0,0|0,0,2]=3 218 B9R1.1 Cc1ccc(cc1)C#N TS04679 [1,0,0,0,0,0|1,0,1]=3 219 B9R1.1 Cc1ccc(cc1)C=C TS71237 [1,0,0,0,0,0|0,0,2]=3 220 B9R1.1 Cc1ccc(cc1)C=O TS09079 [1,0,0,0,0,0|1,0,1]=3 221 B9R1.1 Cc1ccc(cc1)CBr TS03170 [1,0,0,0,0,0|1,0,0]=2 222 B9R1.1 Cc1ccc(cc1)CCl TS37455 [1,0,0,0,0,0|1,0,0]=2 223 B9R1.1 Cc1ccc(cc1)CN TS32473 [1,0,0,0,0,0|1,0,0]=2 224 B9R1.1 Cc1ccc(cc1)CO TS04902 [1,0,0,0,0,0|1,0,0]=2 225 B9R1.1 Cc1ccc(cc1)CS TS06300 [1,0,0,0,0,0|1,0,0]=2 226 B9R1.1 Cc1ccc(cc1)NC TS32470 [1,0,0,0,0,0|1,0,0]=2 227 B9R1.1 Cc1ccc(cc1)NN TS01655 [1,0,0,0,0,0|2,0,0]=3 228 B9R1.1 Cc1ccc(cc1)NN TS23082 [1,0,0,0,0,0|2,0,0]=3 229 B9R1.1 Cc1ccc(cc1)OC TS04894 [1,0,0,0,0,0|1,0,0]=2 230 B9R1.1 Cc1ccc(cc1)SC TS71244 [1,0,0,0,0,0|1,0,0]=2 231 B9R1.1 Cc1ccc(cc1)[Hg]Cl TS77673 [1,0,0,0,0,0|2,0,0]=3 232 B9R1.1 Cc1ccc(cc1)[Mg]Cl TS40955 [1,0,0,0,0,0|2,0,0]=3 233 B9R1.1 Cc1ccc(cn1)C#N TS03281 [1,0,0,0,0,0|2,0,1]=4 234 B9R1.1 Cc1ccc(cn1)C=C TS55464 [1,0,0,0,0,0|1,0,2]=4 235 B9R1.1 Cc1ccc(cn1)C=O TS01266 [1,0,0,0,0,0|2,0,1]=4 236 B9R1.1 Cc1ccc(cn1)CN TS88042 [1,0,0,0,0,0|2,0,0]=3 237 B9R1.1 Cc1ccc(cn1)NN TS32994 [1,0,0,0,0,0|3,0,0]=4 238 B9R1.1 Cc1ccc(cn1)NN TS94799 [1,0,0,0,0,0|3,0,0]=4 239 B9R1.1 Cc1ccc(cn1)OC TS04979 [1,0,0,0,0,0|2,0,0]=3 240 B9R1.1 Cc1ccc(nc1)C#N TS55297 [1,0,0,0,0,0|2,0,1]=4 241 B9R1.1 Cc1ccc(nc1)C=O TS01160 [1,0,0,0,0,0|2,0,1]=4 242 B9R1.1 Cc1ccc(nc1)CN TS08057 [1,0,0,0,0,0|2,0,0]=3 243 B9R1.1 Cc1ccc(nn1)CN TS87880 [1,0,0,0,0,0|3,0,0]=4 244 B9R1.1 Cc1cnc(cn1)CCl TS85706 [1,0,0,0,0,0|3,0,0]=4 245 B9R1.1 Cc1cnc(cn1)CN TS08244 [1,0,0,0,0,0|3,0,0]=4 246 B9R1.1 Cc1cnc(nc1)CCl TS87948 [1,0,0,0,0,0|3,0,0]=4 247 B9R1.1 Cc1cnc(nc1)CCl TS90870 [1,0,0,0,0,0|3,0,0]=4 248 B9R1.1 Cc1cnc(nc1)CN TS88592 [1,0,0,0,0,0|3,0,0]=4 249 B9R1.1 Cc1cnc(nc1)CO TS88936 [1,0,0,0,0,0|3,0,0]=4 250 B9R1.1 Cc1ncc(cn1)CCl TS88571 [1,0,0,0,0,0|3,0,0]=4 251 B9R1.1 Cc1ncc(cn1)CN TS86706 [1,0,0,0,0,0|3,0,0]=4 252 B9R1.1 Cc1ncc(cn1)CO TS55462 [1,0,0,0,0,0|3,0,0]=4 253 B9R1.1 [C-]#[N+]c1ccc(cc1)Br TS14866 [1,0,0,0,0,0|2,0,1]=4 254 B9R1.1 [C-]#[N+]c1ccc(cc1)Cl TS37137 [1,0,0,0,0,0|2,0,1]=4 255 B9R1.1 [C-]#[N+]c1ccc(cc1)F TS04858 [1,0,0,0,0,0|2,0,1]=4 256 B9R1.1 c1cc(=O)[nH]cc1CN TS71378 [1,0,0,0,0,0|3,0,0]=4 257 B9R1.1 c1cc(=O)[nH]cc1CO TS03336 [1,0,0,0,0,0|3,0,0]=4 258 B9R1.1 c1cc(ccc1C#N)Br TS09595 [1,0,0,0,0,0|2,0,1]=4 259 B9R1.1 c1cc(ccc1C#N)Cl TS33152 [1,0,0,0,0,0|2,0,1]=4 260 B9R1.1 c1cc(ccc1C#N)F TS93132 [1,0,0,0,0,0|2,0,1]=4 261 B9R1.1 c1cc(ccc1C#N)I TS09717 [1,0,0,0,0,0|2,0,1]=4 262 B9R1.1 c1cc(ccc1C#N)N TS70912 [1,0,0,0,0,0|2,0,1]=4 263 B9R1.1 c1cc(ccc1C#N)O TS03063 [1,0,0,0,0,0|2,0,1]=4 264 B9R1.1 c1cc(ccc1C#N)S TS03071 [1,0,0,0,0,0|2,0,1]=4 265 B9R1.1 c1cc(ccc1C#N)[Zn+] TS27647 [1,0,0,0,0,0|2,0,1]=4 266 B9R1.1 c1cc(ccc1C=O)Br TS09589 [1,0,0,0,0,0|2,0,1]=4 267 B9R1.1 c1cc(ccc1C=O)Cl TS37446 [1,0,0,0,0,0|2,0,1]=4 268 B9R1.1 c1cc(ccc1C=O)Cl TS93024 [1,0,0,0,0,0|2,0,1]=4 269 B9R1.1 c1cc(ccc1C=O)F TS03079 [1,0,0,0,0,0|2,0,1]=4 270 B9R1.1 c1cc(ccc1C=O)I TS71194 [1,0,0,0,0,0|2,0,1]=4 271 B9R1.1 c1cc(ccc1C=O)N TS08868 [1,0,0,0,0,0|2,0,1]=4 272 B9R1.1 c1cc(ccc1C=O)O TS01630 [1,0,0,0,0,0|2,0,1]=4 273 B9R1.1 c1cc(ccc1C=O)O TS42180 [1,0,0,0,0,0|2,0,1]=4 274 B9R1.1 c1cc(ccc1CBr)Br TS09598 [1,0,0,0,0,0|2,0,0]=3 275 B9R1.1 c1cc(ccc1CBr)Cl TS46748 [1,0,0,0,0,0|2,0,0]=3 276 B9R1.1 c1cc(ccc1CBr)F TS03088 [1,0,0,0,0,0|2,0,0]=3 277 B9R1.1 c1cc(ccc1CBr)I TS09718 [1,0,0,0,0,0|2,0,0]=3 278 B9R1.1 c1cc(ccc1CBr)O TS16899 [1,0,0,0,0,0|2,0,0]=3 279 B9R1.1 c1cc(ccc1CCl)Br TS16774 [1,0,0,0,0,0|2,0,0]=3 280 B9R1.1 c1cc(ccc1CCl)Cl TS39591 [1,0,0,0,0,0|2,0,0]=3 281 B9R1.1 c1cc(ccc1CCl)F TS07044 [1,0,0,0,0,0|2,0,0]=3 282 B9R1.1 c1cc(ccc1CN)Br TS09597 [1,0,0,0,0,0|2,0,0]=3 283 B9R1.1 c1cc(ccc1CN)Br TS60052 [1,0,0,0,0,0|2,0,0]=3 284 B9R1.1 c1cc(ccc1CN)Cl TS33154 [1,0,0,0,0,0|2,0,0]=3 285 B9R1.1 c1cc(ccc1CN)Cl TS71062 [1,0,0,0,0,0|2,0,0]=3 286 B9R1.1 c1cc(ccc1CN)F TS03087 [1,0,0,0,0,0|2,0,0]=3 287 B9R1.1 c1cc(ccc1CN)F TS42359 [1,0,0,0,0,0|2,0,0]=3 288 B9R1.1 c1cc(ccc1CN)I TS07803 [1,0,0,0,0,0|2,0,0]=3 289 B9R1.1 c1cc(ccc1CN)I TS73917 [1,0,0,0,0,0|2,0,0]=3 290 B9R1.1 c1cc(ccc1CN)N TS32510 [1,0,0,0,0,0|2,0,0]=3 291 B9R1.1 c1cc(ccc1CN)O TS38524 [1,0,0,0,0,0|2,0,0]=3 292 B9R1.1 c1cc(ccc1CN)O TS71170 [1,0,0,0,0,0|2,0,0]=3 293 B9R1.1 c1cc(ccc1CO)Br TS16773 [1,0,0,0,0,0|2,0,0]=3 294 B9R1.1 c1cc(ccc1CO)Cl TS37684 [1,0,0,0,0,0|2,0,0]=3 295 B9R1.1 c1cc(ccc1CO)F TS36109 [1,0,0,0,0,0|2,0,0]=3 296 B9R1.1 c1cc(ccc1CO)I TS02234 [1,0,0,0,0,0|2,0,0]=3 297 B9R1.1 c1cc(ccc1CO)N TS70914 [1,0,0,0,0,0|2,0,0]=3 298 B9R1.1 c1cc(ccc1CO)O TS46479 [1,0,0,0,0,0|2,0,0]=3 299 B9R1.1 c1cc(ccc1CO)S TS37388 [1,0,0,0,0,0|2,0,0]=3 300 B9R1.1 c1cc(ccc1CS)Br TS19522 [1,0,0,0,0,0|2,0,0]=3 301 B9R1.1 c1cc(ccc1CS)Cl TS42005 [1,0,0,0,0,0|2,0,0]=3 302 B9R1.1 c1cc(ccc1CS)F TS06684 [1,0,0,0,0,0|2,0,0]=3 303 B9R1.1 c1cc(ccc1C[Zn+])Br TS76764 [1,0,0,0,0,0|2,0,0]=3 304 B9R1.1 c1cc(ccc1F)[Mg]Br TS16672 [1,0,0,0,0,0|3,0,0]=4 305 B9R1.1 c1cc(ccc1N=O)O TS32551 [1,0,0,0,0,0|3,0,0]=4 306 B9R1.1 c1cc(ccc1NN)Br TS50374 [1,0,0,0,0,0|3,0,0]=4 307 B9R1.1 c1cc(ccc1NN)Cl TS06801 [1,0,0,0,0,0|3,0,0]=4 308 B9R1.1 c1cc(ccc1NN)Cl TS67272 [1,0,0,0,0,0|3,0,0]=4 309 B9R1.1 c1cc(ccc1NN)I TS53552 [1,0,0,0,0,0|3,0,0]=4 310 B9R1.1 c1cc(ccc1[Mg]Br)Cl TS21953 [1,0,0,0,0,0|3,0,0]=4 311 B9R1.1 c1cc(ccc1[Mg]Cl)Cl TS45365 [1,0,0,0,0,0|3,0,0]=4 312 B9R1.1 c1cc(ccc1[N+]#N)Br TS30906 [1,0,0,0,0,0|3,0,0]=4 313 B9R1.1 c1cc(ncc1Br)CO TS71442 [1,0,0,0,0,0|3,0,0]=4 314 B9R1.1 c1cc(ncc1CBr)Cl TS71318 [1,0,0,0,0,0|3,0,0]=4 315 B9R1.1 c1cc(ncc1CBr)F TS90058 [1,0,0,0,0,0|3,0,0]=4 316 B9R1.1 c1cc(ncc1CCl)Cl TS47256 [1,0,0,0,0,0|3,0,0]=4 317 B9R1.1 c1cc(ncc1CCl)F TS86320 [1,0,0,0,0,0|3,0,0]=4 318 B9R1.1 c1cc(ncc1CN)Cl TS71379 [1,0,0,0,0,0|3,0,0]=4 319 B9R1.1 c1cc(ncc1CN)F TS87785 [1,0,0,0,0,0|3,0,0]=4 320 B9R1.1 c1cc(ncc1CO)Br TS22929 [1,0,0,0,0,0|3,0,0]=4 321 B9R1.1 c1cc(ncc1CO)Cl TS55248 [1,0,0,0,0,0|3,0,0]=4 322 B9R1.1 c1cc(ncc1CO)F TS85126 [1,0,0,0,0,0|3,0,0]=4 323 B9R1.1 c1cc(ncc1CO)N TS46564 [1,0,0,0,0,0|3,0,0]=4 324 B9R1.1 c1cc(ncc1Cl)CCl TS87444 [1,0,0,0,0,0|3,0,0]=4 325 B9R1.1 c1cc(ncc1F)CO TS88541 [1,0,0,0,0,0|3,0,0]=4 326 B9R1.1 c1cc(ncc1N)CN TS32573 [1,0,0,0,0,0|3,0,0]=4 327 B9R1.1 c1cn(=O)ccc1CO TS59701 [1,0,0,0,0,0|3,0,0]=4 328 B9R1.6 B(c1ccccc1)(Cl)Cl TS42008 [1,0,0,0,0,0|3,0,0]=4 329 B9R1.6 B(c1ccccc1)(O)O TS59339 [1,0,0,0,0,0|3,0,0]=4 330 B9R1.6 C=C(c1ccccc1)Br TS48375 [1,0,0,0,0,0|1,0,2]=4 331 B9R1.6 C=C(c1ccccc1)[Zn+] TS08929 [1,0,0,0,0,0|1,0,2]=4 332 B9R1.6 CC(=C)c1ccccc1 TS32349 [1,0,0,0,0,0|0,0,2]=3 333 B9R1.6 CC(=O)c1ccccc1 TS32455 [1,0,0,0,0,0|1,0,1]=3 334 B9R1.6 CC(=O)c1ccccc1 TS32456 [1,0,0,0,0,0|1,0,1]=3 335 B9R1.6 CC(=O)c1ccccc1 TS38236 [1,0,0,0,0,0|1,0,1]=3 336 B9R1.6 CC(=O)c1ccccc1 TS55713 [1,0,0,0,0,0|1,0,1]=3 337 B9R1.6 CC(=O)c1ccccn1 TS04861 [1,0,0,0,0,0|2,0,1]=4 338 B9R1.6 CC(=O)c1cccnc1 TS65831 [1,0,0,0,0,0|2,0,1]=4 339 B9R1.6 CC(=O)c1ccncc1 TS02952 [1,0,0,0,0,0|2,0,1]=4 340 B9R1.6 CC(C)c1ccccn1 TS32479 [1,0,0,0,0,0|1,0,0]=2 341 B9R1.6 CC(C)c1ccccn1 TS49188 [1,0,0,0,0,0|1,0,0]=2 342 B9R1.6 CC(C)c1ccncc1 TS09132 [1,0,0,0,0,0|1,0,0]=2 343 B9R1.6 CC(C)c1cnccn1 TS04911 [1,0,0,0,0,0|2,0,0]=3 344 B9R1.6 CC(c1ccccc1)Cl TS37453 [1,0,0,0,0,0|1,0,0]=2 345 B9R1.6 CC(c1ccccc1)N TS55879 [1,0,0,0,0,0|1,0,0]=2 346 B9R1.6 CC(c1ccccc1)O TS04908 [1,0,0,0,0,0|1,0,0]=2 347 B9R1.6 CC(c1ccccn1)N TS47025 [1,0,0,0,0,0|2,0,0]=3 348 B9R1.6 CC(c1ccccn1)N TS59503 [1,0,0,0,0,0|2,0,0]=3 349 B9R1.6 CC(c1ccccn1)O TS08930 [1,0,0,0,0,0|2,0,0]=3 350 B9R1.6 CC(c1cccnc1)N TS59573 [1,0,0,0,0,0|2,0,0]=3 351 B9R1.6 CC(c1ccncc1)N TS51965 [1,0,0,0,0,0|2,0,0]=3 352 B9R1.6 CC(c1ccncc1)N TS59574 [1,0,0,0,0,0|2,0,0]=3 353 B9R1.6 CC(c1ccncn1)N TS91641 [1,0,0,0,0,0|3,0,0]=4 354 B9R1.6 CC(c1ccnnc1)N TS88664 [1,0,0,0,0,0|3,0,0]=4 355 B9R1.6 CC(c1cnccn1)N TS86731 [1,0,0,0,0,0|3,0,0]=4 356 B9R1.6 CC(c1cncnc1)N TS88597 [1,0,0,0,0,0|3,0,0]=4 357 B9R1.6 CN(C)c1cc[nH+]cc1 TS29274 [1,0,0,0,0,0|2,0,0]=3 358 B9R1.6 CN(C)c1ccccc1 TS56353 [1,0,0,0,0,0|1,0,0]=2 359 B9R1.6 CN(C)c1ccccn1 TS04916 [1,0,0,0,0,0|2,0,0]=3 360 B9R1.6 CN(C)c1cccnc1 TS32521 [1,0,0,0,0,0|2,0,0]=3 361 B9R1.6 CN(C)c1ccncc1 TS71094 [1,0,0,0,0,0|2,0,0]=3 362 B9R1.6 CN(C)c1ccncc1 TS79663 [1,0,0,0,0,0|2,0,0]=3 363 B9R1.6 CN(C)c1ccncc1 TS93097 [1,0,0,0,0,0|2,0,0]=3 364 B9R1.6 CN(c1ccccc1)N TS46980 [1,0,0,0,0,0|2,0,0]=3 365 B9R1.6 CP(C)c1ccccc1 TS37178 [1,0,0,0,0,0|1,0,0]=2 366 B9R1.6 CP(C)c1ccccc1 TS75399 [1,0,0,0,0,0|1,0,0]=2 367 B9R1.6 C[C@@H](c1ccccc1)N TS93610 [1,0,0,0,0,0|1,0,0]=2 368 B9R1.6 C[C@@H](c1ccccc1)O TS04904 [1,0,0,0,0,0|1,0,0]=2 369 B9R1.6 C[C@@H](c1ccccn1)O TS04971 [1,0,0,0,0,0|2,0,0]=3 370 B9R1.6 C[C@@H](c1cccnc1)O TS04970 [1,0,0,0,0,0|2,0,0]=3 371 B9R1.6 C[C@@H](c1ccncc1)O TS32559 [1,0,0,0,0,0|2,0,0]=3 372 B9R1.6 C[C@@H](c1cncnc1)N TS86849 [1,0,0,0,0,0|3,0,0]=4 373 B9R1.6 C[C@H](c1ccccc1)N TS00310 [1,0,0,0,0,0|1,0,0]=2 374 B9R1.6 C[C@H](c1ccccc1)N TS29339 [1,0,0,0,0,0|1,0,0]=2 375 B9R1.6 C[C@H](c1ccccc1)O TS04906 [1,0,0,0,0,0|1,0,0]=2 376 B9R1.6 C[C@H](c1ccccn1)O TS04976 [1,0,0,0,0,0|2,0,0]=3 377 B9R1.6 C[C@H](c1cccnc1)O TS04956 [1,0,0,0,0,0|2,0,0]=3 378 B9R1.6 C[C@H](c1ccncc1)O TS39982 [1,0,0,0,0,0|2,0,0]=3 379 B9R1.6 C[C@H](c1cncnc1)N TS90168 [1,0,0,0,0,0|3,0,0]=4 380 B9R1.6 C[SiH](C)c1ccccc1 TS37063 [1,0,0,0,0,0|0,1,0]=2 381 B9R1.6 c1ccc(cc1)C(=N)N TS04816 [1,0,0,0,0,0|2,0,1]=4 382 B9R1.6 c1ccc(cc1)C(=N)N TS13608 [1,0,0,0,0,0|2,0,1]=4 383 B9R1.6 c1ccc(cc1)C(=N)N TS55741 [1,0,0,0,0,0|2,0,1]=4 384 B9R1.6 c1ccc(cc1)C(=O)Br TS15413 [1,0,0,0,0,0|2,0,1]=4 385 B9R1.6 c1ccc(cc1)C(=O)Cl TS37445 [1,0,0,0,0,0|2,0,1]=4 386 B9R1.6 c1ccc(cc1)C(=O)F TS32590 [1,0,0,0,0,0|2,0,1]=4 387 B9R1.6 c1ccc(cc1)C(=O)N TS04862 [1,0,0,0,0,0|2,0,1]=4 388 B9R1.6 c1ccc(cc1)C(=O)O TS20747 [1,0,0,0,0,0|2,0,1]=4 389 B9R1.6 c1ccc(cc1)C(=O)O TS21872 [1,0,0,0,0,0|2,0,1]=4 390 B9R1.6 c1ccc(cc1)C(=O)O TS32552 [1,0,0,0,0,0|2,0,1]=4 391 B9R1.6 c1ccc(cc1)C(=O)O TS46282 [1,0,0,0,0,0|2,0,1]=4 392 B9R1.6 c1ccc(cc1)C(=O)O TS93416 [1,0,0,0,0,0|2,0,1]=4 393 B9R1.6 c1ccc(cc1)C(=O)[O-] TS05306 [1,0,0,0,0,0|2,0,1]=4 394 B9R1.6 c1ccc(cc1)C(=O)[O-] TS06916 [1,0,0,0,0,0|2,0,1]=4 395 B9R1.6 c1ccc(cc1)C(=O)[O-] TS30348 [1,0,0,0,0,0|2,0,1]=4 396 B9R1.6 c1ccc(cc1)C(=O)[O-] TS42179 [1,0,0,0,0,0|2,0,1]=4 397 B9R1.6 c1ccc(cc1)C(=O)[O-] TS52761 [1,0,0,0,0,0|2,0,1]=4 398 B9R1.6 c1ccc(cc1)C(=S)N TS01727 [1,0,0,0,0,0|2,0,1]=4 399 B9R1.6 c1ccc(cc1)C(=S)O TS06290 [1,0,0,0,0,0|2,0,1]=4 400 B9R1.6 c1ccc(cc1)C(Br)Br TS27976 [1,0,0,0,0,0|2,0,0]=3 401 B9R1.6 c1ccc(cc1)C(F)Cl TS40273 [1,0,0,0,0,0|2,0,0]=3 402 B9R1.6 c1ccc(cc1)I(=O)=O TS25817 [1,0,0,0,0,0|3,0,0]=4 403 B9R1.6 c1ccc(cc1)I(Cl)Cl TS07874 [1,0,0,0,0,0|3,0,0]=4 404 B9R1.6 c1ccc(cc1)P(=O)O TS59341 [1,0,0,0,0,0|3,0,0]=4 405 B9R1.6 c1ccc(cc1)P(=O)[O-] TS42670 [1,0,0,0,0,0|3,0,0]=4 406 B9R1.6 c1ccc(cc1)P(Cl)Cl TS14332 [1,0,0,0,0,0|3,0,0]=4 407 B9R1.6 c1ccc(cc1)S(=O)[O-] TS11824 [1,0,0,0,0,0|3,0,0]=4 408 B9R1.6 c1ccc(cc1)S(=O)[O-] TS37866 [1,0,0,0,0,0|3,0,0]=4 409 B9R1.6 c1ccc(cc1)S(=O)[O-] TS78880 [1,0,0,0,0,0|3,0,0]=4 410 B9R1.6 c1ccc(cc1)[N+](=O)[O-] TS32550 [1,0,0,0,0,0|3,0,0]=4 411 B9R1.6 c1ccc(cc1)[SiH](Cl)Cl TS46224 [1,0,0,0,0,0|2,1,0]=4 412 B11R1.3 B(c1ccc(cc1)CBr)(O)O TS16901 [0,1,0,0,0,0|3,0,0]=4 413 B11R1.3 B(c1ccc(cc1)CC)(O)O TS71107 [0,1,0,0,0,0|3,0,0]=4 414 B11R1.3 B(c1ccc(cc1)CCl)(O)O TS45216 [0,1,0,0,0,0|3,0,0]=4 415 B11R1.3 B(c1ccc(cc1)CN)(O)O TS08871 [0,1,0,0,0,0|3,0,0]=4 416 B11R1.3 B(c1ccc(cc1)CN)(O)O TS40961 [0,1,0,0,0,0|3,0,0]=4 417 B11R1.3 B(c1ccc(cc1)CO)(O)O TS03127 [0,1,0,0,0,0|3,0,0]=4 418 B11R1.3 B(c1ccc(cc1)OC)(O)O TS93919 [0,1,0,0,0,0|3,0,0]=4 419 B11R1.3 B(c1ccc(cc1)SC)(O)O TS70787 [0,1,0,0,0,0|3,0,0]=4 420 B11R1.3 CC(=C)c1ccc(cc1)C=O TS01820 [0,1,0,0,0,0|0,0,3]=4 421 B11R1.3 CC(=O)c1ccc(cc1)C#C TS40168 [0,1,0,0,0,0|1,0,2]=4 422 B11R1.3 CC(=O)c1ccc(cc1)C#N TS39459 [0,1,0,0,0,0|1,0,2]=4 423 B11R1.3 CC(=O)c1ccc(cc1)C=C TS07232 [0,1,0,0,0,0|1,0,2]=4 424 B11R1.3 CC(=O)c1ccc(cc1)C=O TS07425 [0,1,0,0,0,0|1,0,2]=4 425 B11R1.3 CC(=O)c1ccc(cc1)OC TS40842 [0,1,0,0,0,0|1,0,1]=3 426 B11R1.3 CC(=O)c1ccc(cc1)SC TS70785 [0,1,0,0,0,0|1,0,1]=3 427 B11R1.3 CC(=O)c1ccc(cn1)OC TS86710 [0,1,0,0,0,0|2,0,1]=4 428 B11R1.3 CC(=O)c1ccc(nc1)OC TS22855 [0,1,0,0,0,0|2,0,1]=4 429 B11R1.3 CC(C)c1ccc(cc1)C#C TS01856 [0,1,0,0,0,0|0,0,1]=2 430 B11R1.3 CC(C)c1ccc(cc1)C=C TS07267 [0,1,0,0,0,0|0,0,1]=2 431 B11R1.3 CC(C)c1ccc(cc1)C=O TS09730 [0,1,0,0,0,0|0,0,1]=2 432 B11R1.3 CC(C)c1ccc(cc1)CBr TS44303 [0,1,0,0,0,0|0,0,0]=1 433 B11R1.3 CC(C)c1ccc(cc1)CCl TS12630 [0,1,0,0,0,0|0,0,0]=1 434 B11R1.3 CC(C)c1ccc(cc1)CN TS40775 [0,1,0,0,0,0|0,0,0]=1 435 B11R1.3 CC(C)c1ccc(cc1)CO TS09929 [0,1,0,0,0,0|0,0,0]=1 436 B11R1.3 CC(C)c1ccc(cc1)NN TS09944 [0,1,0,0,0,0|1,0,0]=2 437 B11R1.3 CC(C)c1ccc(cc1)NN TS15742 [0,1,0,0,0,0|1,0,0]=2 438 B11R1.3 CC(C)c1ccc(cc1)OC TS09911 [0,1,0,0,0,0|0,0,0]=1 439 B11R1.3 CC(c1ccc(cc1)OC)O TS10179 [0,1,0,0,0,0|1,0,0]=2 440 B11R1.3 CCc1ccc(cc1)C(=O)C TS40659 [0,1,0,0,0,0|1,0,1]=3 441 B11R1.3 CCc1ccc(cc1)C(=O)Cl TS12610 [0,1,0,0,0,0|2,0,1]=4 442 B11R1.3 CCc1ccc(cc1)C(=O)N TS40757 [0,1,0,0,0,0|2,0,1]=4 443 B11R1.3 CCc1ccc(cc1)C(=O)O TS40858 [0,1,0,0,0,0|2,0,1]=4 444 B11R1.3 CCc1ccc(cc1)C(=S)N TS12083 [0,1,0,0,0,0|2,0,1]=4 445 B11R1.3 CCc1ccc(cc1)C(C)C TS07509 [0,1,0,0,0,0|0,0,0]=1 446 B11R1.3 CCc1ccc(cc1)N(=O)=O TS10018 [0,1,0,0,0,0|3,0,0]=4 447 B11R1.3 CCc1ccc(cc1)[C@@H](C)N TS07597 [0,1,0,0,0,0|1,0,0]=2 448 B11R1.3 CCc1ccc(cc1)[C@H](C)N TS07612 [0,1,0,0,0,0|1,0,0]=2 449 B11R1.3 CN(C)c1cc[n+](cc1)C#N TS56595 [0,1,0,0,0,0|2,0,1]=4 450 B11R1.3 CN(C)c1ccc(cc1)C#C TS07116 [0,1,0,0,0,0|1,0,1]=3 451 B11R1.3 CN(C)c1ccc(cc1)C=O TS70774 [0,1,0,0,0,0|1,0,1]=3 452 B11R1.3 CN(C)c1ccc(cc1)CN TS03078 [0,1,0,0,0,0|1,0,0]=2 453 B11R1.3 CN(C)c1ccc(cc1)CN TS70775 [0,1,0,0,0,0|1,0,0]=2 454 B11R1.3 CN(C)c1ccc(cc1)CO TS41047 [0,1,0,0,0,0|1,0,0]=2 455 B11R1.3 CN(C)c1ccc(cc1)N=O TS09885 [0,1,0,0,0,0|2,0,0]=3 456 B11R1.3 CN(C)c1ccc(cc1)[Mg]Br TS50540 [0,1,0,0,0,0|2,0,0]=3 457 B11R1.3 CN(C)c1ccc(cc1)[N+]#N TS77100 [0,1,0,0,0,0|2,0,0]=3 458 B11R1.3 CN(C)c1ccc(cc1)[N+]#N TS77101 [0,1,0,0,0,0|2,0,0]=3 459 B11R1.3 CN(C)c1cnc(nc1)CN TS89637 [0,1,0,0,0,0|3,0,0]=4 460 B11R1.3 CNc1ccc(cc1)C(=O)O TS10016 [0,1,0,0,0,0|2,0,1]=4 461 B11R1.3 CNc1ccc(cc1)[N+](=O)[O-] TS10159 [0,1,0,0,0,0|3,0,0]=4 462 B11R1.3 COc1ccc(cc1)C(=N)N TS15734 [0,1,0,0,0,0|2,0,1]=4 463 B11R1.3 COc1ccc(cc1)C(=O)Cl TS00259 [0,1,0,0,0,0|2,0,1]=4 464 B11R1.3 COc1ccc(cc1)C(=O)N TS10033 [0,1,0,0,0,0|2,0,1]=4 465 B11R1.3 COc1ccc(cc1)C(=O)O TS92947 [0,1,0,0,0,0|2,0,1]=4 466 B11R1.3 COc1ccc(cc1)C(=O)[O-] TS51125 [0,1,0,0,0,0|2,0,1]=4 467 B11R1.3 COc1ccc(cc1)C(=S)N TS12413 [0,1,0,0,0,0|2,0,1]=4 468 B11R1.3 COc1ccc(cc1)[N+](=O)[O-] TS41252 [0,1,0,0,0,0|3,0,0]=4 469 B11R1.3 CSc1ccc(cc1)C(=O)O TS44887 [0,1,0,0,0,0|2,0,1]=4 470 B11R1.3 CSc1ccc(cc1)[N+](=O)[O-] TS45011 [0,1,0,0,0,0|3,0,0]=4 471 B11R1.3 C[C@@H](c1ccc(cc1)C#N)N TS08105 [0,1,0,0,0,0|1,0,1]=3 472 B11R1.3 C[C@@H](c1ccc(cc1)OC)N TS46626 [0,1,0,0,0,0|1,0,0]=2 473 B11R1.3 C[C@@H](c1ccc(cc1)[N+]#[C-])O TS07344 [0,1,0,0,0,0|1,0,1]=3 474 B11R1.3 C[C@H](c1ccc(cc1)C#N)N TS08058 [0,1,0,0,0,0|1,0,1]=3 475 B11R1.3 C[C@H](c1ccc(cc1)[N+]#[C-])O TS07330 [0,1,0,0,0,0|1,0,1]=3 476 B11R1.3 c1cc(ccc1CBr)C(=O)O TS44637 [0,1,0,0,0,0|2,0,1]=4 477 B11R1.3 c1cc(ccc1CBr)[N+](=O)[O-] TS44773 [0,1,0,0,0,0|3,0,0]=4 478 B11R1.3 c1cc(ccc1CCl)C(=O)Cl TS60030 [0,1,0,0,0,0|2,0,1]=4 479 B11R1.3 c1cc(ccc1CCl)C(=O)O TS12925 [0,1,0,0,0,0|2,0,1]=4 480 B11R1.3 c1cc(ccc1CCl)[N+](=O)[O-] TS39596 [0,1,0,0,0,0|3,0,0]=4 481 B11R1.3 c1cc(ccc1CI)N(=O)=O TS29871 [0,1,0,0,0,0|3,0,0]=4 482 B11R1.3 c1cc(ccc1CN)C(=N)N TS50061 [0,1,0,0,0,0|2,0,1]=4 483 B11R1.3 c1cc(ccc1CN)C(=O)N TS09895 [0,1,0,0,0,0|2,0,1]=4 484 B11R1.3 c1cc(ccc1CN)C(=O)O TS16888 [0,1,0,0,0,0|2,0,1]=4 485 B11R1.3 c1cc(ccc1CN)[N+](=O)[O-] TS33122 [0,1,0,0,0,0|3,0,0]=4 486 B11R1.3 c1cc(ccc1CO)C(=O)O TS10123 [0,1,0,0,0,0|2,0,1]=4 487 B11R1.3 c1cc(ccc1CO)[N+](=O)[O-] TS41244 [0,1,0,0,0,0|3,0,0]=4 488 B11R1.19 CC(C)(C)c1ccc(cc1)Br TS39998 [0,1,0,0,0,0|1,0,0]=2 489 B11R1.19 CC(C)(C)c1ccc(cc1)Cl TS12633 [0,1,0,0,0,0|1,0,0]=2 490 B11R1.19 CC(C)(C)c1ccc(cc1)I TS09205 [0,1,0,0,0,0|1,0,0]=2 491 B11R1.19 CC(C)(C)c1ccc(cc1)N TS40788 [0,1,0,0,0,0|1,0,0]=2 492 B11R1.19 CC(C)(C)c1ccc(cc1)O TS09914 [0,1,0,0,0,0|1,0,0]=2 493 B11R1.19 CC(C)(C)c1ccc(cc1)S TS03197 [0,1,0,0,0,0|1,0,0]=2 494 B11R1.19 CC(C)(C)c1ccc(cc1)[O-] TS50792 [0,1,0,0,0,0|1,0,0]=2 495 B11R1.19 CC(C)(c1ccc(cc1)F)N TS10336 [0,1,0,0,0,0|1,0,0]=2 496 B11R1.19 CC(C)(c1ccc(cc1)F)O TS10445 [0,1,0,0,0,0|1,0,0]=2 497 B11R1.19 CS(=O)(=O)c1ccc(cc1)Br TS56621 [0,1,0,0,0,0|3,0,0]=4 498 B11R1.19 CS(=O)(=O)c1ccc(cc1)Cl TS33159 [0,1,0,0,0,0|3,0,0]=4 499 B11R1.19 CS(=O)(=O)c1ccc(cc1)F TS13477 [0,1,0,0,0,0|3,0,0]=4 500 B11R1.19 CS(=O)(=O)c1ccc(cc1)N TS70784 [0,1,0,0,0,0|3,0,0]=4 501 B11R1.19 CS(=O)(=O)c1ccc(cc1)O TS71240 [0,1,0,0,0,0|3,0,0]=4 502 B11R1.19 C[N+](C)(C)c1ccc(cc1)N TS61180 [0,1,0,0,0,0|2,0,0]=3 503 B11R1.19 C[Si](C)(C)c1ccc(cc1)Br TS52820 [0,1,0,0,0,0|1,1,0]=3 504 B11R1.19 C[Si](C)(C)c1ccc(cc1)Cl TS15402 [0,1,0,0,0,0|1,1,0]=3 505 B11R1.19 C[Si](C)(C)c1ccc(cc1)F TS12592 [0,1,0,0,0,0|1,1,0]=3 506 B11R1.19 C[Si](C)(C)c1ccc(cc1)S TS15049 [0,1,0,0,0,0|1,1,0]=3 507 B11R1.19 Cc1ccc(cc1)C(C)(C)C TS07507 [0,1,0,0,0,0|0,0,0]=1 508 B11R1.19 Cc1ccc(cc1)C(F)(F)F TS09141 [0,1,0,0,0,0|2,0,0]=3 509 B11R1.19 Cc1ccc(cc1)S(=O)(=O)Br TS94398 [0,1,0,0,0,0|3,0,0]=4 510 B11R1.19 Cc1ccc(cc1)S(=O)(=O)C TS12830 [0,1,0,0,0,0|2,0,0]=3 511 B11R1.19 Cc1ccc(cc1)S(=O)(=O)Cl TS01651 [0,1,0,0,0,0|3,0,0]=4 512 B11R1.19 Cc1ccc(cc1)S(=O)(=O)F TS13475 [0,1,0,0,0,0|3,0,0]=4 513 B11R1.19 Cc1ccc(cc1)S(=O)(=O)N TS64347 [0,1,0,0,0,0|3,0,0]=4 514 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O TS08074 [0,1,0,0,0,0|3,0,0]=4 515 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O TS53319 [0,1,0,0,0,0|3,0,0]=4 516 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O TS59085 [0,1,0,0,0,0|3,0,0]=4 517 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O TS62755 [0,1,0,0,0,0|3,0,0]=4 518 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O TS63266 [0,1,0,0,0,0|3,0,0]=4 519 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O TS68270 [0,1,0,0,0,0|3,0,0]=4 520 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O TS77693 [0,1,0,0,0,0|3,0,0]=4 521 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O TS77700 [0,1,0,0,0,0|3,0,0]=4 522 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O TS77822 [0,1,0,0,0,0|3,0,0]=4 523 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O TS85428 [0,1,0,0,0,0|3,0,0]=4 524 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O TS94396 [0,1,0,0,0,0|3,0,0]=4 525 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O TS94673 [0,1,0,0,0,0|3,0,0]=4 526 B11R1.19 Cc1ccc(cc1)S(=O)(=O)[O-] TS34142 [0,1,0,0,0,0|3,0,0]=4 527 B11R1.19 Cc1ccc(cc1)S(=O)(=O)[O-] TS34439 [0,1,0,0,0,0|3,0,0]=4 528 B11R1.19 Cc1ccc(cc1)S(=O)(=O)[O-] TS35992 [0,1,0,0,0,0|3,0,0]=4 529 B11R1.19 Cc1ccc(cc1)S(=O)(=O)[O-] TS45300 [0,1,0,0,0,0|3,0,0]=4 530 B11R1.19 Cc1ccc(cc1)S(=O)(=O)[O-] TS45457 [0,1,0,0,0,0|3,0,0]=4 531 B11R1.19 Cc1ccc(cc1)S(=O)(=O)[O-] TS51776 [0,1,0,0,0,0|3,0,0]=4 532 B11R1.19 Cc1ccc(cc1)S(=O)(=O)[O-] TS53184 [0,1,0,0,0,0|3,0,0]=4 533 B11R1.19 Cc1ccc(cc1)S(=O)(=O)[O-] TS54628 [0,1,0,0,0,0|3,0,0]=4 534 B11R1.19 Cc1ccc(cc1)S(=O)(=O)[O-] TS58412 [0,1,0,0,0,0|3,0,0]=4 535 B11R1.19 Cc1ccc(cc1)S(=O)(=O)[O-] TS59084 [0,1,0,0,0,0|3,0,0]=4 536 B11R1.19 Cc1ccc(cc1)S(=O)(=O)[O-] TS59380 [0,1,0,0,0,0|3,0,0]=4 537 B11R1.19 Cc1ccc(cc1)S(=O)(=O)[O-] TS62193 [0,1,0,0,0,0|3,0,0]=4 538 B11R1.19 Cc1ccc(cc1)S(=O)(=O)[O-] TS64959 [0,1,0,0,0,0|3,0,0]=4 539 B11R1.19 Cc1ccc(cc1)S(=O)(=O)[O-] TS69285 [0,1,0,0,0,0|3,0,0]=4 540 B11R1.19 Cc1ccc(cc1)S(=O)(=O)[O-] TS73309 [0,1,0,0,0,0|3,0,0]=4 541 B11R1.19 Cc1ccc(cc1)S(=O)(=O)[O-] TS74554 [0,1,0,0,0,0|3,0,0]=4 542 B11R1.19 Cc1ccc(cc1)S(=O)(=O)[O-] TS76424 [0,1,0,0,0,0|3,0,0]=4 543 B11R1.19 Cc1ccc(cc1)S(=O)(=O)[O-] TS84456 [0,1,0,0,0,0|3,0,0]=4 544 B11R1.19 Cc1ccc(cc1)S(=O)(=S)[O-] TS52406 [0,1,0,0,0,0|3,0,0]=4 545 B11R1.19 Cc1ccc(cc1)[As](=O)(O)O TS21975 [0,1,0,0,0,0|3,0,0]=4 546 B11R1.19 Cc1ccc(cc1)[Si](C)(C)C TS42819 [0,1,0,0,0,0|0,1,0]=2 547 B11R1.19 Cc1ccc(cc1)[Si](Cl)(Cl)Cl TS52218 [0,1,0,0,0,0|2,1,0]=4 548 B11R1.19 c1cc(ccc1C(Br)(Br)Br)Br TS69513 [0,1,0,0,0,0|3,0,0]=4 549 B11R1.19 c1cc(ccc1C(Cl)(Cl)Cl)Cl TS52921 [0,1,0,0,0,0|3,0,0]=4 550 B11R1.19 c1cc(ccc1C(Cl)(Cl)Cl)F TS21552 [0,1,0,0,0,0|3,0,0]=4 551 B11R1.19 c1cc(ccc1C(F)(F)F)Br TS93774 [0,1,0,0,0,0|3,0,0]=4 552 B11R1.19 c1cc(ccc1C(F)(F)F)Cl TS47993 [0,1,0,0,0,0|3,0,0]=4 553 B11R1.19 c1cc(ccc1C(F)(F)F)F TS60407 [0,1,0,0,0,0|3,0,0]=4 554 B11R1.19 c1cc(ccc1C(F)(F)F)I TS01854 [0,1,0,0,0,0|3,0,0]=4 555 B11R1.19 c1cc(ccc1C(F)(F)F)N TS53909 [0,1,0,0,0,0|3,0,0]=4 556 B11R1.19 c1cc(ccc1C(F)(F)F)N TS70913 [0,1,0,0,0,0|3,0,0]=4 557 B11R1.19 c1cc(ccc1C(F)(F)F)O TS71303 [0,1,0,0,0,0|3,0,0]=4 558 B11R1.19 c1cc(ccc1C(F)(F)F)P TS14128 [0,1,0,0,0,0|3,0,0]=4 559 B11R1.19 c1cc(ccc1C(F)(F)F)S TS32980 [0,1,0,0,0,0|3,0,0]=4 560 B11R1.21 B(c1ccc(c(c1)C)C)(O)O TS65766 [0,1,0,0,0,0|3,0,0]=4 561 B11R1.21 B(c1ccc(c(c1)Cl)C)(O)O TS65984 [0,1,0,0,0,0|3,0,0]=4 562 B11R1.21 B(c1ccc(c(c1)N)C)(O)O TS40959 [0,1,0,0,0,0|3,0,0]=4 563 B11R1.21 B(c1ccc(c(c1)N)C)(O)O TS50603 [0,1,0,0,0,0|3,0,0]=4 564 B11R1.21 CC(=O)c1ccc(c(c1)Br)F TS60007 [0,1,0,0,0,0|2,0,1]=4 565 B11R1.21 CC(=O)c1ccc(c(c1)Br)N TS64986 [0,1,0,0,0,0|2,0,1]=4 566 B11R1.21 CC(=O)c1ccc(c(c1)Cl)Cl TS02537 [0,1,0,0,0,0|2,0,1]=4 567 B11R1.21 CC(=O)c1ccc(c(c1)Cl)F TS02680 [0,1,0,0,0,0|2,0,1]=4 568 B11R1.21 CC(=O)c1ccc(c(c1)Cl)N TS12728 [0,1,0,0,0,0|2,0,1]=4 569 B11R1.21 CC(=O)c1ccc(c(c1)Cl)O TS45230 [0,1,0,0,0,0|2,0,1]=4 570 B11R1.21 CC(=O)c1ccc(c(c1)F)Br TS08979 [0,1,0,0,0,0|2,0,1]=4 571 B11R1.21 CC(=O)c1ccc(c(c1)F)Cl TS07777 [0,1,0,0,0,0|2,0,1]=4 572 B11R1.21 CC(=O)c1ccc(c(c1)F)O TS41343 [0,1,0,0,0,0|2,0,1]=4 573 B11R1.21 CC(=O)c1ccc(c(c1)N)Cl TS12718 [0,1,0,0,0,0|2,0,1]=4 574 B11R1.21 CC(=O)c1ccc(c(c1)N)F TS65466 [0,1,0,0,0,0|2,0,1]=4 575 B11R1.21 CC(=O)c1ccc(c(c1)O)O TS10132 [0,1,0,0,0,0|2,0,1]=4 576 B11R1.21 CC(C)c1ccc(c(c1)Br)N TS39651 [0,1,0,0,0,0|1,0,0]=2 577 B11R1.21 CC(C)c1ccc(c(c1)N)O TS41038 [0,1,0,0,0,0|1,0,0]=2 578 B11R1.21 CC(C)c1ccc(c(c1)O)O TS41153 [0,1,0,0,0,0|1,0,0]=2 579 B11R1.21 CC(c1ccc(c(c1)Cl)Cl)N TS51020 [0,1,0,0,0,0|2,0,0]=3 580 B11R1.21 CC(c1ccc(c(c1)Cl)F)O TS13589 [0,1,0,0,0,0|2,0,0]=3 581 B11R1.21 CC(c1ccc(c(c1)F)F)N TS41759 [0,1,0,0,0,0|2,0,0]=3 582 B11R1.21 CC1=CCC(CC1=O)C(C)C TS10213 [0,1,0,0,0,0|0,0,3]=4 583 B11R1.21 C[C@@H](c1ccc(c(c1)F)Cl)N TS20840 [0,1,0,0,0,0|2,0,0]=3 584 B11R1.21 C[C@@H](c1ccc(c(c1)F)F)N TS41756 [0,1,0,0,0,0|2,0,0]=3 585 B11R1.21 C[C@H](c1ccc(c(c1)Cl)F)N TS13420 [0,1,0,0,0,0|2,0,0]=3 586 B11R1.21 C[C@H](c1ccc(c(c1)F)Cl)N TS20839 [0,1,0,0,0,0|2,0,0]=3 587 B11R1.21 C[C@H](c1ccc(c(c1)F)F)N TS10832 [0,1,0,0,0,0|2,0,0]=3 588 B11R1.21 Cc1c(nc(cn1)C(C)C)C TS09941 [0,1,0,0,0,0|2,0,0]=3 589 B11R1.21 Cc1cc(ccc1Cl)C(=O)C TS12619 [0,1,0,0,0,0|2,0,1]=4 590 B11R1.21 Cc1cc(ccc1Cl)[C@H](C)N TS45062 [0,1,0,0,0,0|2,0,0]=3 591 B11R1.21 Cc1cc(ccc1F)C(=O)C TS10166 [0,1,0,0,0,0|2,0,1]=4 592 B11R1.21 Cc1cc(ccc1O)C(=O)C TS03116 [0,1,0,0,0,0|2,0,1]=4 593 B11R1.21 Cc1ccc(cc1Br)C(=O)C TS60336 [0,1,0,0,0,0|1,0,1]=3 594 B11R1.21 Cc1ccc(cc1Br)C(=O)Cl TS53519 [0,1,0,0,0,0|2,0,1]=4 595 B11R1.21 Cc1ccc(cc1Br)C(=O)O TS09456 [0,1,0,0,0,0|2,0,1]=4 596 B11R1.21 Cc1ccc(cc1Br)[N+](=O)[O-] TS16848 [0,1,0,0,0,0|3,0,0]=4 597 B11R1.21 Cc1ccc(cc1C)C(=N)N TS15398 [0,1,0,0,0,0|2,0,1]=4 598 B11R1.21 Cc1ccc(cc1C)C(=N)N TS40675 [0,1,0,0,0,0|2,0,1]=4 599 B11R1.21 Cc1ccc(cc1C)C(=O)C TS07474 [0,1,0,0,0,0|1,0,1]=3 600 B11R1.21 Cc1ccc(cc1C)C(=O)Cl TS44947 [0,1,0,0,0,0|2,0,1]=4 601 B11R1.21 Cc1ccc(cc1C)C(=O)N TS40750 [0,1,0,0,0,0|2,0,1]=4 602 B11R1.21 Cc1ccc(cc1C)C(=O)O TS40862 [0,1,0,0,0,0|2,0,1]=4 603 B11R1.21 Cc1ccc(cc1C)C(=S)N TS12085 [0,1,0,0,0,0|2,0,1]=4 604 B11R1.21 Cc1ccc(cc1C)[N+](=O)[O-] TS71255 [0,1,0,0,0,0|3,0,0]=4 605 B11R1.21 Cc1ccc(cc1Cl)C(=O)N TS12720 [0,1,0,0,0,0|2,0,1]=4 606 B11R1.21 Cc1ccc(cc1Cl)C(=O)O TS65499 [0,1,0,0,0,0|2,0,1]=4 607 B11R1.21 Cc1ccc(cc1Cl)[C@@H](C)N TS45057 [0,1,0,0,0,0|1,0,0]=2 608 B11R1.21 Cc1ccc(cc1Cl)[N+](=O)[O-] TS13077 [0,1,0,0,0,0|3,0,0]=4 609 B11R1.21 Cc1ccc(cc1F)C(=N)N TS50835 [0,1,0,0,0,0|2,0,1]=4 610 B11R1.21 Cc1ccc(cc1F)C(=O)C TS02754 [0,1,0,0,0,0|1,0,1]=3 611 B11R1.21 Cc1ccc(cc1F)C(=O)Cl TS13268 [0,1,0,0,0,0|2,0,1]=4 612 B11R1.21 Cc1ccc(cc1F)C(=O)O TS02756 [0,1,0,0,0,0|2,0,1]=4 613 B11R1.21 Cc1ccc(cc1F)C(=S)N TS45015 [0,1,0,0,0,0|2,0,1]=4 614 B11R1.21 Cc1ccc(cc1F)[N+](=O)[O-] TS55349 [0,1,0,0,0,0|3,0,0]=4 615 B11R1.21 Cc1ccc(cc1I)C(=O)O TS29738 [0,1,0,0,0,0|2,0,1]=4 616 B11R1.21 Cc1ccc(cc1I)[N+](=O)[O-] TS29872 [0,1,0,0,0,0|3,0,0]=4 617 B11R1.21 Cc1ccc(cc1N)C(=O)N TS40875 [0,1,0,0,0,0|2,0,1]=4 618 B11R1.21 Cc1ccc(cc1N)C(=O)O TS65862 [0,1,0,0,0,0|2,0,1]=4 619 B11R1.21 Cc1ccc(cc1N)C(C)C TS07607 [0,1,0,0,0,0|0,0,0]=1 620 B11R1.21 Cc1ccc(cc1N)[N+](=O)[O-] TS00097 [0,1,0,0,0,0|3,0,0]=4 621 B11R1.21 Cc1ccc(cc1O)C(=O)C TS40839 [0,1,0,0,0,0|1,0,1]=3 622 B11R1.21 Cc1ccc(cc1O)C(=O)O TS70609 [0,1,0,0,0,0|2,0,1]=4 623 B11R1.21 Cc1ccc(cc1O)C(C)C TS40901 [0,1,0,0,0,0|0,0,0]=1 624 B11R1.21 Cc1ccc(cc1O)[N+](=O)[O-] TS41253 [0,1,0,0,0,0|3,0,0]=4 625 B11R1.22 CC(=NO)c1ccc(cc1)Cl TS12722 [0,1,0,0,0,0|2,0,1]=4 626 B11R1.22 CC(=NO)c1ccc(cc1)F TS10313 [0,1,0,0,0,0|2,0,1]=4 627 B11R1.22 CC(c1ccc(cc1)Br)[N+]#[C-] TS20831 [0,1,0,0,0,0|1,0,1]=3 628 B11R1.22 CCC(=O)c1ccc(cc1)Br TS21445 [0,1,0,0,0,0|2,0,1]=4 629 B11R1.22 CCC(=O)c1ccc(cc1)C TS03180 [0,1,0,0,0,0|1,0,1]=3 630 B11R1.22 CCC(=O)c1ccc(cc1)Cl TS44952 [0,1,0,0,0,0|2,0,1]=4 631 B11R1.22 CCC(=O)c1ccc(cc1)F TS10167 [0,1,0,0,0,0|2,0,1]=4 632 B11R1.22 CCC(=O)c1ccc(cc1)N TS70916 [0,1,0,0,0,0|2,0,1]=4 633 B11R1.22 CCC(=O)c1ccc(cc1)O TS03135 [0,1,0,0,0,0|2,0,1]=4 634 B11R1.22 CCC(C)c1ccc(cc1)Br TS44299 [0,1,0,0,0,0|1,0,0]=2 635 B11R1.22 CCC(C)c1ccc(cc1)O TS40902 [0,1,0,0,0,0|1,0,0]=2 636 B11R1.22 CCN(c1ccc(cc1)C)N TS09946 [0,1,0,0,0,0|2,0,0]=3 637 B11R1.22 CNC(=O)c1ccc(cc1)N TS70781 [0,1,0,0,0,0|2,0,1]=4 638 B11R1.22 COC(=N)c1ccc(cc1)O TS15875 [0,1,0,0,0,0|2,0,1]=4 639 B11R1.22 COC(=O)c1ccc(cc1)Br TS56290 [0,1,0,0,0,0|2,0,1]=4 640 B11R1.22 COC(=O)c1ccc(cc1)Cl TS12922 [0,1,0,0,0,0|2,0,1]=4 641 B11R1.22 COC(=O)c1ccc(cc1)F TS16564 [0,1,0,0,0,0|2,0,1]=4 642 B11R1.22 COC(=O)c1ccc(cc1)I TS16571 [0,1,0,0,0,0|2,0,1]=4 643 B11R1.22 COC(=O)c1ccc(cc1)N TS08594 [0,1,0,0,0,0|2,0,1]=4 644 B11R1.22 COC(=O)c1ccc(cc1)N TS50621 [0,1,0,0,0,0|2,0,1]=4 645 B11R1.22 COC(=O)c1ccc(cc1)O TS10133 [0,1,0,0,0,0|2,0,1]=4 646 B11R1.22 COC(=O)c1ccc(cc1)O TS13446 [0,1,0,0,0,0|2,0,1]=4 647 B11R1.22 COC(=O)c1ccc(cc1)O TS51124 [0,1,0,0,0,0|2,0,1]=4 648 B11R1.22 COS(=O)c1ccc(cc1)Cl TS51207 [0,1,0,0,0,0|3,0,0]=4 649 B11R1.22 C[C@@H](c1ccc(cc1)F)NC TS10333 [0,1,0,0,0,0|1,0,0]=2 650 B11R1.22 C[C@H](c1ccc(cc1)F)NC TS10331 [0,1,0,0,0,0|1,0,0]=2 651 B11R1.22 Cc1ccc(cc1)C(=NO)N TS09881 [0,1,0,0,0,0|2,0,1]=4 652 B11R1.22 Cc1ccc(cc1)C(=O)C#N TS07079 [0,1,0,0,0,0|1,0,2]=4 653 B11R1.22 Cc1ccc(cc1)C(=O)C=O TS43032 [0,1,0,0,0,0|1,0,2]=4 654 B11R1.22 Cc1ccc(cc1)C(=O)CBr TS39652 [0,1,0,0,0,0|1,0,1]=3 655 B11R1.22 Cc1ccc(cc1)C(=O)CCl TS12617 [0,1,0,0,0,0|1,0,1]=3 656 B11R1.22 Cc1ccc(cc1)C(=O)CN TS00760 [0,1,0,0,0,0|1,0,1]=3 657 B11R1.22 Cc1ccc(cc1)C(=O)CN TS47411 [0,1,0,0,0,0|1,0,1]=3 658 B11R1.22 Cc1ccc(cc1)C(=O)CO TS40865 [0,1,0,0,0,0|1,0,1]=3 659 B11R1.22 Cc1ccc(cc1)C(=O)NC TS40742 [0,1,0,0,0,0|1,0,1]=3 660 B11R1.22 Cc1ccc(cc1)C(=O)NN TS09899 [0,1,0,0,0,0|2,0,1]=4 661 B11R1.22 Cc1ccc(cc1)C(=O)NO TS10030 [0,1,0,0,0,0|2,0,1]=4 662 B11R1.22 Cc1ccc(cc1)C(=O)OC TS40843 [0,1,0,0,0,0|1,0,1]=3 663 B11R1.22 Cc1ccc(cc1)C(C)C=O TS07460 [0,1,0,0,0,0|0,0,1]=2 664 B11R1.22 Cc1ccc(cc1)S(=O)OC TS12833 [0,1,0,0,0,0|2,0,0]=3 665 B11R1.22 Cc1ccc(cc1)[C@H](C#N)O TS40536 [0,1,0,0,0,0|1,0,1]=3 666 B11R1.22 Cc1ccc(cn1)C(=O)OC TS56309 [0,1,0,0,0,0|2,0,1]=4 667 B11R1.22 c1cc(ccc1C(=O)CBr)Br TS31287 [0,1,0,0,0,0|2,0,1]=4 668 B11R1.22 c1cc(ccc1C(=O)CBr)F TS00837 [0,1,0,0,0,0|2,0,1]=4 669 B11R1.22 c1cc(ccc1C(=O)CBr)I TS00840 [0,1,0,0,0,0|2,0,1]=4 670 B11R1.22 c1cc(ccc1C(=O)CBr)N TS08872 [0,1,0,0,0,0|2,0,1]=4 671 B11R1.22 c1cc(ccc1C(=O)CCl)Br TS53521 [0,1,0,0,0,0|2,0,1]=4 672 B11R1.22 c1cc(ccc1C(=O)CCl)Cl TS50850 [0,1,0,0,0,0|2,0,1]=4 673 B11R1.22 c1cc(ccc1C(=O)CCl)F TS55185 [0,1,0,0,0,0|2,0,1]=4 674 B11R1.22 c1cc(ccc1C(=O)CCl)O TS12920 [0,1,0,0,0,0|2,0,1]=4 675 B11R1.22 c1cc(ccc1C(=O)CF)Cl TS08166 [0,1,0,0,0,0|2,0,1]=4 676 B11R1.22 c1cc(ccc1C(=O)CN)Br TS08267 [0,1,0,0,0,0|2,0,1]=4 677 B11R1.22 c1cc(ccc1C(=O)CN)Br TS70999 [0,1,0,0,0,0|2,0,1]=4 678 B11R1.22 c1cc(ccc1C(=O)CO)Br TS44630 [0,1,0,0,0,0|2,0,1]=4 679 B11R1.22 c1cc(ccc1C(=O)CO)Cl TS12909 [0,1,0,0,0,0|2,0,1]=4 680 B11R1.22 c1cc(ccc1C(=O)CO)F TS41344 [0,1,0,0,0,0|2,0,1]=4 681 B11R1.22 c1cc(ccc1C(=O)CO)I TS29736 [0,1,0,0,0,0|2,0,1]=4 682 B11R1.22 c1cc(ccc1C(C#N)N)F TS07933 [0,1,0,0,0,0|2,0,1]=4 683 B11R1.22 c1cc(ccc1C(C#N)O)O TS07544 [0,1,0,0,0,0|2,0,1]=4 684 B11R1.22 c1cc(ccc1C(CBr)Br)F TS34375 [0,1,0,0,0,0|2,0,0]=3 685 B11R1.22 c1cc(ccc1C(CCl)O)Cl TS51233 [0,1,0,0,0,0|2,0,0]=3 686 B11R1.22 c1cc(ccc1C(CN)O)Br TS28392 [0,1,0,0,0,0|2,0,0]=3 687 B11R1.22 c1cc(ccc1C(CN)O)Cl TS43395 [0,1,0,0,0,0|2,0,0]=3 688 B11R1.22 c1cc(ccc1C(CN)O)F TS51366 [0,1,0,0,0,0|2,0,0]=3 689 B11R1.22 c1cc(ccc1C(CN)O)O TS41283 [0,1,0,0,0,0|2,0,0]=3 690 B11R1.22 c1cc(ccc1C(CO)Cl)Cl TS51225 [0,1,0,0,0,0|2,0,0]=3 691 B11R1.22 c1cc(ccc1[C@@H](CCl)O)F TS13596 [0,1,0,0,0,0|2,0,0]=3 692 B11R1.22 c1cc(ccc1[C@H](C#N)O)Cl TS43273 [0,1,0,0,0,0|2,0,1]=4 693 B11R1.22 c1cc(ccc1[C@H](CCl)O)F TS13604 [0,1,0,0,0,0|2,0,0]=3 694 B11R1.166 B(c1ccc(cc1C)C)(O)O TS59922 [0,1,0,0,0,0|3,0,0]=4 695 B11R1.166 B(c1ccc(cc1Cl)C)(O)O TS46381 [0,1,0,0,0,0|3,0,0]=4 696 B11R1.166 B(c1ccc(cc1F)C)(O)O TS55343 [0,1,0,0,0,0|3,0,0]=4 697 B11R1.166 B(c1ccc(cc1O)C)(O)O TS85931 [0,1,0,0,0,0|3,0,0]=4 698 B11R1.166 CC(=O)c1ccc(cc1Br)F TS55105 [0,1,0,0,0,0|2,0,1]=4 699 B11R1.166 CC(=O)c1ccc(cc1Cl)Br TS53520 [0,1,0,0,0,0|2,0,1]=4 700 B11R1.166 CC(=O)c1ccc(cc1Cl)Cl TS47210 [0,1,0,0,0,0|2,0,1]=4 701 B11R1.166 CC(=O)c1ccc(cc1Cl)F TS09270 [0,1,0,0,0,0|2,0,1]=4 702 B11R1.166 CC(=O)c1ccc(cc1Cl)O TS16676 [0,1,0,0,0,0|2,0,1]=4 703 B11R1.166 CC(=O)c1ccc(cc1F)Br TS29433 [0,1,0,0,0,0|2,0,1]=4 704 B11R1.166 CC(=O)c1ccc(cc1F)Cl TS09000 [0,1,0,0,0,0|2,0,1]=4 705 B11R1.166 CC(=O)c1ccc(cc1F)F TS00626 [0,1,0,0,0,0|2,0,1]=4 706 B11R1.166 CC(=O)c1ccc(cc1F)N TS41259 [0,1,0,0,0,0|2,0,1]=4 707 B11R1.166 CC(=O)c1ccc(cc1F)O TS41347 [0,1,0,0,0,0|2,0,1]=4 708 B11R1.166 CC(=O)c1ccc(cc1N)O TS41016 [0,1,0,0,0,0|2,0,1]=4 709 B11R1.166 CC(=O)c1ccc(cc1O)Cl TS12914 [0,1,0,0,0,0|2,0,1]=4 710 B11R1.166 CC(=O)c1ccc(cc1O)F TS09696 [0,1,0,0,0,0|2,0,1]=4 711 B11R1.166 CC(=O)c1ccc(cc1O)N TS41012 [0,1,0,0,0,0|2,0,1]=4 712 B11R1.166 CC(=O)c1ccc(cc1O)O TS47228 [0,1,0,0,0,0|2,0,1]=4 713 B11R1.166 CC(c1ccc(cc1Cl)Cl)N TS51012 [0,1,0,0,0,0|2,0,0]=3 714 B11R1.166 CC(c1ccc(cc1Cl)Cl)O TS51231 [0,1,0,0,0,0|2,0,0]=3 715 B11R1.166 CC(c1ccc(cc1Cl)F)O TS13594 [0,1,0,0,0,0|2,0,0]=3 716 B11R1.166 CC(c1ccc(cc1F)F)N TS41758 [0,1,0,0,0,0|2,0,0]=3 717 B11R1.166 CC1=CC(=O)C(CC1)C(C)C TS10229 [0,1,0,0,0,0|0,0,3]=4 718 B11R1.166 CC1=CC(=O)[C@@H](CC1)C(C)C TS41183 [0,1,0,0,0,0|0,0,3]=4 719 B11R1.166 CN(C)c1ccc(cc1Br)F TS49358 [0,1,0,0,0,0|2,0,0]=3 720 B11R1.166 CN(C)c1ccc(cc1F)Br TS49357 [0,1,0,0,0,0|2,0,0]=3 721 B11R1.166 CN(C)c1ccc(cc1F)F TS41754 [0,1,0,0,0,0|2,0,0]=3 722 B11R1.166 C[C@@H](c1ccc(cc1F)F)N TS17734 [0,1,0,0,0,0|2,0,0]=3 723 B11R1.166 C[C@H](c1ccc(cc1F)F)N TS17732 [0,1,0,0,0,0|2,0,0]=3 724 B11R1.166 Cc1cc(ccc1C(=O)C)Cl TS12615 [0,1,0,0,0,0|2,0,1]=4 725 B11R1.166 Cc1cc(ccc1C(=O)C)F TS09701 [0,1,0,0,0,0|2,0,1]=4 726 B11R1.166 Cc1cc(ccc1C(=O)C)O TS71153 [0,1,0,0,0,0|2,0,1]=4 727 B11R1.166 Cc1cc(ccc1C(C)C)N TS15547 [0,1,0,0,0,0|1,0,0]=2 728 B11R1.166 Cc1cc(ccc1C(C)C)O TS40896 [0,1,0,0,0,0|1,0,0]=2 729 B11R1.166 Cc1cc(ccc1N(C)C)Br TS21624 [0,1,0,0,0,0|2,0,0]=3 730 B11R1.166 Cc1ccc(c(=S)[nH]1)C(=O)C TS12412 [0,1,0,0,0,0|2,0,1]=4 731 B11R1.166 Cc1ccc(c(c1)Br)C(=O)O TS08332 [0,1,0,0,0,0|2,0,1]=4 732 B11R1.166 Cc1ccc(c(c1)C)C(=O)C TS07457 [0,1,0,0,0,0|1,0,1]=3 733 B11R1.166 Cc1ccc(c(c1)C)C(=O)Cl TS02130 [0,1,0,0,0,0|2,0,1]=4 734 B11R1.166 Cc1ccc(c(c1)C)C(=O)O TS40844 [0,1,0,0,0,0|2,0,1]=4 735 B11R1.166 Cc1ccc(c(c1)C)C(C)O TS40893 [0,1,0,0,0,0|1,0,0]=2 736 B11R1.166 Cc1ccc(c(c1)C)[C@H](C)N TS07613 [0,1,0,0,0,0|1,0,0]=2 737 B11R1.166 Cc1ccc(c(c1)C)[N+](=O)[O-] TS41006 [0,1,0,0,0,0|3,0,0]=4 738 B11R1.166 Cc1ccc(c(c1)Cl)C(=O)O TS09277 [0,1,0,0,0,0|2,0,1]=4 739 B11R1.166 Cc1ccc(c(c1)Cl)[N+](=O)[O-] TS60350 [0,1,0,0,0,0|3,0,0]=4 740 B11R1.166 Cc1ccc(c(c1)F)C(=O)O TS55341 [0,1,0,0,0,0|2,0,1]=4 741 B11R1.166 Cc1ccc(c(c1)F)[N+](=O)[O-] TS70581 [0,1,0,0,0,0|3,0,0]=4 742 B11R1.166 Cc1ccc(c(c1)I)[N+](=O)[O-] TS39443 [0,1,0,0,0,0|3,0,0]=4 743 B11R1.166 Cc1ccc(c(c1)N)C(=O)N TS39258 [0,1,0,0,0,0|2,0,1]=4 744 B11R1.166 Cc1ccc(c(c1)N)C(=O)O TS47412 [0,1,0,0,0,0|2,0,1]=4 745 B11R1.166 Cc1ccc(c(c1)N)[N+](=O)[O-] TS65471 [0,1,0,0,0,0|3,0,0]=4 746 B11R1.166 Cc1ccc(c(c1)O)C(=O)C TS40863 [0,1,0,0,0,0|1,0,1]=3 747 B11R1.166 Cc1ccc(c(c1)O)C(=O)N TS40995 [0,1,0,0,0,0|2,0,1]=4 748 B11R1.166 Cc1ccc(c(c1)O)C(=O)O TS39668 [0,1,0,0,0,0|2,0,1]=4 749 B11R1.166 Cc1ccc(c(c1)O)C(C)C TS09913 [0,1,0,0,0,0|0,0,0]=1 750 B11R1.166 Cc1ccc(c(c1)O)C(C)C TS73186 [0,1,0,0,0,0|0,0,0]=1 751 B11R1.166 c1cc(c(cc1Br)F)C(F)F TS52106 [0,1,0,0,0,0|3,0,0]=4 752 B11R1.166 c1cc(c(cc1Cl)Cl)C(Cl)Cl TS52918 [0,1,0,0,0,0|3,0,0]=4 753 B11R1.166 c1cc(c(cc1F)Br)C(F)F TS23943 [0,1,0,0,0,0|3,0,0]=4 754 B11R2.34 c1c(cnc(n1)C2CC2)Br TS54156 [0,0,0,1,0,0|3,0,0]=4 755 B11R2.34 c1c(cnc(n1)C2CC2)N TS90884 [0,0,0,1,0,0|3,0,0]=4 756 B11R2.34 c1cc(ccc1C2CO2)Br TS54150 [0,0,0,1,0,0|2,0,0]=3 757 B11R2.34 c1cc(ccc1C2CO2)Cl TS10530 [0,0,0,1,0,0|2,0,0]=3 758 B11R2.34 c1cc(ccc1C2CO2)F TS37172 [0,0,0,1,0,0|2,0,0]=3 759 B11R2.34 c1cc(ccc1[C@@H]2CO2)Br TS54152 [0,0,0,1,0,0|2,0,0]=3 760 B11R2.34 c1cc(ccc1[C@@H]2CO2)Cl TS41460 [0,0,0,1,0,0|2,0,0]=3 761 B11R2.34 c1cc(ccc1[C@H]2CO2)Br TS54153 [0,0,0,1,0,0|2,0,0]=3 762 B11R2.34 c1cc(nnc1C2CC2)N TS32672 [0,0,0,1,0,0|3,0,0]=4 763 B9R1.35 CC(=O)c1ccn(c1)C TS04957 [0,0,0,0,1,0|2,0,1]=4 764 B9R1.35 CC(C)c1csc(n1)N TS37626 [0,0,0,0,1,0|3,0,0]=4 765 B9R1.35 CC(C)c1nc(cs1)Br TS38926 [0,0,0,0,1,0|3,0,0]=4 766 B9R1.35 CC(c1cc(sc1)Cl)N TS92574 [0,0,0,0,1,0|3,0,0]=4 767 B9R1.35 CC(c1cc(sc1)Cl)O TS88754 [0,0,0,0,1,0|3,0,0]=4 768 B9R1.35 CC(c1cn(cn1)C)O TS91763 [0,0,0,0,1,0|3,0,0]=4 769 B9R1.35 CC(c1cnn(c1)C)N TS36074 [0,0,0,0,1,0|3,0,0]=4 770 B9R1.35 Cc1cc(sc1)C(=O)C TS37391 [0,0,0,0,1,0|2,0,1]=4 771 B9R1.35 Cc1ccc(o1)C(=O)C TS32605 [0,0,0,0,1,0|2,0,1]=4 772 B9R1.35 Cc1ccc(s1)C(=O)C TS08249 [0,0,0,0,1,0|2,0,1]=4 773 B9R1.35 Cc1csc(n1)C(C)C TS06617 [0,0,0,0,1,0|2,0,0]=3 774 B9R1.35 Cc1nc(cs1)C(C)N TS37630 [0,0,0,0,1,0|3,0,0]=4 775 B11R1.20 CC(=O)Cc1ccc(cc1)Br TS21448 [0,0,0,0,0,1|2,0,1]=4 776 B11R1.20 CC(=O)Cc1ccc(cc1)Cl TS01985 [0,0,0,0,0,1|2,0,1]=4 777 B11R1.20 CC(=O)Cc1ccc(cc1)F TS10168 [0,0,0,0,0,1|2,0,1]=4 778 B11R1.20 CC(=O)Cc1ccc(cc1)O TS40856 [0,0,0,0,0,1|2,0,1]=4 779 B11R1.20 CC(=O)N=C1C=CC(=O)C=C1 TS40733 [0,0,0,0,0,1|2,0,1]=4 780 B11R1.20 CC(=O)Nc1ccc(cc1)Br TS44451 [0,0,0,0,0,1|2,0,1]=4 781 B11R1.20 CC(=O)Nc1ccc(cc1)Cl TS12726 [0,0,0,0,0,1|2,0,1]=4 782 B11R1.20 CC(=O)Nc1ccc(cc1)F TS41260 [0,0,0,0,0,1|2,0,1]=4 783 B11R1.20 CC(=O)Nc1ccc(cc1)I TS29619 [0,0,0,0,0,1|2,0,1]=4 784 B11R1.20 CC(=O)Nc1ccc(cc1)N TS40870 [0,0,0,0,0,1|2,0,1]=4 785 B11R1.20 CC(=O)Nc1ccc(cc1)O TS40999 [0,0,0,0,0,1|2,0,1]=4 786 B11R1.20 CC(=O)Nc1ccc(cc1)S TS12415 [0,0,0,0,0,1|2,0,1]=4 787 B11R1.20 CC(=O)Oc1ccc(cc1)Br TS44631 [0,0,0,0,0,1|2,0,1]=4 788 B11R1.20 CC(=O)Oc1ccc(cc1)Cl TS09682 [0,0,0,0,0,1|2,0,1]=4 789 B11R1.20 CC(=O)Oc1ccc(cc1)F TS41350 [0,0,0,0,0,1|2,0,1]=4 790 B11R1.20 CC(C)Cc1ccc(cc1)Br TS44298 [0,0,0,0,0,1|1,0,0]=2 791 B11R1.20 CC(C)Cc1ccc(cc1)N TS07610 [0,0,0,0,0,1|1,0,0]=2 792 B11R1.20 CC(C)Nc1ccc(cc1)Cl TS45059 [0,0,0,0,0,1|1,0,0]=2 793 B11R1.20 CC(C)Nc1ccc(cc1)F TS10328 [0,0,0,0,0,1|1,0,0]=2 794 B11R1.20 CC(C)Nc1ncc(cn1)Br TS21978 [0,0,0,0,0,1|3,0,0]=4 795 B11R1.20 CC(C)Oc1ccc(cc1)N TS10070 [0,0,0,0,0,1|1,0,0]=2 796 B11R1.20 CC(C)Oc1ccc(cc1)N TS50642 [0,0,0,0,0,1|1,0,0]=2 797 B11R1.20 CC(C)Oc1ccc(cn1)Br TS85279 [0,0,0,0,0,1|2,0,0]=3 798 B11R1.20 CC(C)Oc1ccc(cn1)N TS10201 [0,0,0,0,0,1|2,0,0]=3 799 B11R1.20 CC(Cc1ccc(cc1)Cl)N TS38929 [0,0,0,0,0,1|2,0,0]=3 800 B11R1.20 CC(Cc1ccc(cc1)F)N TS10335 [0,0,0,0,0,1|2,0,0]=3 801 B11R1.20 CC(Cc1ccc(cc1)I)N TS55981 [0,0,0,0,0,1|2,0,0]=3 802 B11R1.20 CN(C)Cc1ccc(cc1)Br TS21622 [0,0,0,0,0,1|2,0,0]=3 803 B11R1.20 CN(C)Cc1ccc(cc1)N TS03005 [0,0,0,0,0,1|2,0,0]=3 804 B11R1.20 Cc1ccc(cc1)CC(=O)C TS07472 [0,0,0,0,0,1|1,0,1]=3 805 B11R1.20 Cc1ccc(cc1)CC(=O)Cl TS01654 [0,0,0,0,0,1|2,0,1]=4 806 B11R1.20 Cc1ccc(cc1)CC(=O)O TS65138 [0,0,0,0,0,1|2,0,1]=4 807 B11R1.20 Cc1ccc(cc1)CC(=S)N TS12091 [0,0,0,0,0,1|2,0,1]=4 808 B11R1.20 Cc1ccc(cc1)CC(=S)O TS15009 [0,0,0,0,0,1|2,0,1]=4 809 B11R1.20 Cc1ccc(cc1)NC(=N)N TS07577 [0,0,0,0,0,1|2,0,1]=4 810 B11R1.20 Cc1ccc(cc1)NC(=O)C TS40755 [0,0,0,0,0,1|1,0,1]=3 811 B11R1.20 Cc1ccc(cc1)NC(=O)N TS09890 [0,0,0,0,0,1|2,0,1]=4 812 B11R1.20 Cc1ccc(cc1)NC(=S)N TS12280 [0,0,0,0,0,1|2,0,1]=4 813 B11R1.20 Cc1ccc(cc1)OC(=O)C TS09868 [0,0,0,0,0,1|1,0,1]=3 814 B11R1.20 Cc1ccc(cc1)OC(=O)Cl TS12926 [0,0,0,0,0,1|2,0,1]=4 815 B11R1.20 Cc1ccc(cc1)OC(=S)Cl TS15735 [0,0,0,0,0,1|2,0,1]=4 816 B11R1.20 Cc1ccc(cc1)OC(F)F TS10932 [0,0,0,0,0,1|2,0,0]=3 817 B11R1.20 Cc1ccc(nc1)NC(=O)C TS09893 [0,0,0,0,0,1|2,0,1]=4 818 B11R1.20 c1cc(ccc1N)OC(F)F TS16906 [0,0,0,0,0,1|3,0,0]=4 819 B11R1.20 c1cc(ccc1N)SC(F)F TS13693 [0,0,0,0,0,1|3,0,0]=4 820 B11R1.20 c1cc(ccc1O)OC(F)F TS42116 [0,0,0,0,0,1|3,0,0]=4 821 B11R1.20 c1cc(ccc1OC(F)F)Br TS50248 [0,0,0,0,0,1|3,0,0]=4 822 B11R1.20 c1cc(ccc1OC(F)F)I TS30740 [0,0,0,0,0,1|3,0,0]=4 823 B11R1.20 c1cc(ccc1SC(F)F)Cl TS51937 [0,0,0,0,0,1|3,0,0]=4 824 B8R0.28 CC(=CC=CC(=O)C)C TS35999 [1,0,1,0,0,0|1,0,1]=4 825 B8R0.28 CC(C)CC=CC(=O)C TS05196 [1,0,1,0,0,0|1,0,1]=4 826 B8R1.2 C#Cc1ccccc1 TS39865 [2,0,0,0,0,0|0,0,2]=4 827 B8R1.2 C=Cc1ccccc1 TS04045 [2,0,0,0,0,0|0,0,2]=4 828 B8R1.2 CCC1=CCC=CC1 TS04142 [2,0,0,0,0,0|0,0,2]=4 829 B8R1.2 CC[n+]1ccccc1 TS40125 [2,0,0,0,0,0|1,0,0]=3 830 B8R1.2 CC[n+]1ccccc1 TS50650 [2,0,0,0,0,0|1,0,0]=3 831 B8R1.2 CCc1ccccc1 TS04102 [2,0,0,0,0,0|0,0,0]=2 832 B8R1.2 CCc1ccccn1 TS55316 [2,0,0,0,0,0|1,0,0]=3 833 B8R1.2 CCc1cccnc1 TS04113 [2,0,0,0,0,0|1,0,0]=3 834 B8R1.2 CCc1ccncc1 TS04110 [2,0,0,0,0,0|1,0,0]=3 835 B8R1.2 CCc1cnccn1 TS31774 [2,0,0,0,0,0|2,0,0]=4 836 B8R1.2 CNc1ccccc1 TS31758 [2,0,0,0,0,0|1,0,0]=3 837 B8R1.2 CNc1ccccc1 TS40129 [2,0,0,0,0,0|1,0,0]=3 838 B8R1.2 CNc1ccccn1 TS22814 [2,0,0,0,0,0|2,0,0]=4 839 B8R1.2 CNc1cccnc1 TS09432 [2,0,0,0,0,0|2,0,0]=4 840 B8R1.2 CNc1ccncc1 TS16891 [2,0,0,0,0,0|2,0,0]=4 841 B8R1.2 COc1ccccc1 TS39801 [2,0,0,0,0,0|1,0,0]=3 842 B8R1.2 COc1ccncc1 TS03163 [2,0,0,0,0,0|2,0,0]=4 843 B8R1.2 CPc1ccccc1 TS32592 [2,0,0,0,0,0|1,0,0]=3 844 B8R1.2 CSc1ccccc1 TS36022 [2,0,0,0,0,0|1,0,0]=3 845 B8R1.2 CSc1ccccn1 TS05101 [2,0,0,0,0,0|2,0,0]=4 846 B8R1.2 CSc1cccnc1 TS05108 [2,0,0,0,0,0|2,0,0]=4 847 B8R1.2 C[NH2+]c1ccccc1 TS49917 [2,0,0,0,0,0|1,0,0]=3 848 B8R1.2 C[SiH2]c1ccccc1 TS04929 [2,0,0,0,0,0|0,1,0]=3 849 B8R1.2 [C-]#[N+]c1ccccc1 TS59810 [2,0,0,0,0,0|1,0,1]=4 850 B8R1.2 c1cc(cnc1)CBr TS09437 [2,0,0,0,0,0|2,0,0]=4 851 B8R1.2 c1cc(cnc1)CCl TS00113 [2,0,0,0,0,0|2,0,0]=4 852 B8R1.2 c1cc(cnc1)CCl TS02031 [2,0,0,0,0,0|2,0,0]=4 853 B8R1.2 c1cc(cnc1)CI TS49544 [2,0,0,0,0,0|2,0,0]=4 854 B8R1.2 c1cc(cnc1)CI TS64566 [2,0,0,0,0,0|2,0,0]=4 855 B8R1.2 c1cc(cnc1)CN TS02883 [2,0,0,0,0,0|2,0,0]=4 856 B8R1.2 c1cc(cnc1)CO TS92960 [2,0,0,0,0,0|2,0,0]=4 857 B8R1.2 c1cc(cnc1)CO TS93835 [2,0,0,0,0,0|2,0,0]=4 858 B8R1.2 c1ccc(cc1)C#N TS01882 [2,0,0,0,0,0|1,0,1]=4 859 B8R1.2 c1ccc(cc1)C#N TS80489 [2,0,0,0,0,0|1,0,1]=4 860 B8R1.2 c1ccc(cc1)C=O TS43757 [2,0,0,0,0,0|1,0,1]=4 861 B8R1.2 c1ccc(cc1)CCl TS36191 [2,0,0,0,0,0|1,0,0]=3 862 B8R1.2 c1ccc(cc1)CF TS31826 [2,0,0,0,0,0|1,0,0]=3 863 B8R1.2 c1ccc(cc1)CI TS09176 [2,0,0,0,0,0|1,0,0]=3 864 B8R1.2 c1ccc(cc1)CN TS01379 [2,0,0,0,0,0|1,0,0]=3 865 B8R1.2 c1ccc(cc1)CN TS40124 [2,0,0,0,0,0|1,0,0]=3 866 B8R1.2 c1ccc(cc1)CO TS31769 [2,0,0,0,0,0|1,0,0]=3 867 B8R1.2 c1ccc(cc1)CS TS36023 [2,0,0,0,0,0|1,0,0]=3 868 B8R1.2 c1ccc(cc1)I=O TS49692 [2,0,0,0,0,0|2,0,0]=4 869 B8R1.2 c1ccc(cc1)N=O TS31751 [2,0,0,0,0,0|2,0,0]=4 870 B8R1.2 c1ccc(cc1)NN TS07047 [2,0,0,0,0,0|2,0,0]=4 871 B8R1.2 c1ccc(cc1)NN TS31771 [2,0,0,0,0,0|2,0,0]=4 872 B8R1.2 c1ccc(cc1)NN TS61145 [2,0,0,0,0,0|2,0,0]=4 873 B8R1.2 c1ccc(cc1)NN TS76102 [2,0,0,0,0,0|2,0,0]=4 874 B8R1.2 c1ccc(cc1)NO TS31793 [2,0,0,0,0,0|2,0,0]=4 875 B8R1.2 c1ccc(cc1)NO TS37696 [2,0,0,0,0,0|2,0,0]=4 876 B8R1.2 c1ccc(cc1)ON TS07146 [2,0,0,0,0,0|2,0,0]=4 877 B8R1.2 c1ccc(cc1)[Hg]Cl TS76590 [2,0,0,0,0,0|2,0,0]=4 878 B8R1.2 c1ccc(cc1)[Hg]I TS69412 [2,0,0,0,0,0|2,0,0]=4 879 B8R1.2 c1ccc(cc1)[Mg]Br TS59811 [2,0,0,0,0,0|2,0,0]=4 880 B8R1.2 c1ccc(cc1)[Mg]Cl TS06150 [2,0,0,0,0,0|2,0,0]=4 881 B8R1.2 c1ccc(cc1)[Mg]I TS52700 [2,0,0,0,0,0|2,0,0]=4 882 B8R1.2 c1ccc(cc1)[N+]#N TS27981 [2,0,0,0,0,0|2,0,0]=4 883 B8R1.2 c1ccnc(c1)CBr TS47083 [2,0,0,0,0,0|2,0,0]=4 884 B8R1.2 c1ccnc(c1)CCl TS47089 [2,0,0,0,0,0|2,0,0]=4 885 B8R1.2 c1ccnc(c1)CCl TS47090 [2,0,0,0,0,0|2,0,0]=4 886 B8R1.2 c1ccnc(c1)CN TS00811 [2,0,0,0,0,0|2,0,0]=4 887 B8R1.2 c1ccnc(c1)CO TS07144 [2,0,0,0,0,0|2,0,0]=4 888 B8R1.2 c1ccnc(c1)CO TS31798 [2,0,0,0,0,0|2,0,0]=4 889 B8R1.2 c1ccnc(c1)CS TS05100 [2,0,0,0,0,0|2,0,0]=4 890 B8R1.2 c1cnccc1CBr TS39318 [2,0,0,0,0,0|2,0,0]=4 891 B8R1.2 c1cnccc1CCl TS16903 [2,0,0,0,0,0|2,0,0]=4 892 B8R1.2 c1cnccc1CN TS31773 [2,0,0,0,0,0|2,0,0]=4 893 B8R1.2 c1cnccc1CO TS07149 [2,0,0,0,0,0|2,0,0]=4 894 B8R1.2 c1cnccc1CO TS71297 [2,0,0,0,0,0|2,0,0]=4 895 B8R1.3 C1=CC(=O)C=CC1=O TS04136 [2,0,0,0,0,0|2,0,0]=4 896 B8R1.3 C1=CC(=O)C=CC1=[OH+] TS75395 [2,0,0,0,0,0|2,0,0]=4 897 B8R1.3 Cc1cc[n+](cc1)C TS25680 [2,0,0,0,0,0|1,0,0]=3 898 B8R1.3 Cc1ccc(=O)[nH]c1 TS92956 [2,0,0,0,0,0|2,0,0]=4 899 B8R1.3 Cc1ccc(cc1)Br TS09620 [2,0,0,0,0,0|1,0,0]=3 900 B8R1.3 Cc1ccc(cc1)C TS04096 [2,0,0,0,0,0|0,0,0]=2 901 B8R1.3 Cc1ccc(cc1)C TS77016 [2,0,0,0,0,0|0,0,0]=2 902 B8R1.3 Cc1ccc(cc1)Cl TS39593 [2,0,0,0,0,0|1,0,0]=3 903 B8R1.3 Cc1ccc(cc1)F TS31829 [2,0,0,0,0,0|1,0,0]=3 904 B8R1.3 Cc1ccc(cc1)I TS07804 [2,0,0,0,0,0|1,0,0]=3 905 B8R1.3 Cc1ccc(cc1)I TS67797 [2,0,0,0,0,0|1,0,0]=3 906 B8R1.3 Cc1ccc(cc1)N TS04112 [2,0,0,0,0,0|1,0,0]=3 907 B8R1.3 Cc1ccc(cc1)N TS40127 [2,0,0,0,0,0|1,0,0]=3 908 B8R1.3 Cc1ccc(cc1)O TS05157 [2,0,0,0,0,0|1,0,0]=3 909 B8R1.3 Cc1ccc(cc1)O TS94395 [2,0,0,0,0,0|1,0,0]=3 910 B8R1.3 Cc1ccc(cc1)P TS32593 [2,0,0,0,0,0|1,0,0]=3 911 B8R1.3 Cc1ccc(cc1)S TS39763 [2,0,0,0,0,0|1,0,0]=3 912 B8R1.3 Cc1ccc(cc1)[Si] TS04930 [2,0,0,0,0,0|0,1,0]=3 913 B8R1.3 Cc1ccc(cn1)Br TS09799 [2,0,0,0,0,0|2,0,0]=4 914 B8R1.3 Cc1ccc(cn1)Cl TS71507 [2,0,0,0,0,0|2,0,0]=4 915 B8R1.3 Cc1ccc(cn1)F TS03302 [2,0,0,0,0,0|2,0,0]=4 916 B8R1.3 Cc1ccc(cn1)I TS71574 [2,0,0,0,0,0|2,0,0]=4 917 B8R1.3 Cc1ccc(cn1)N TS65872 [2,0,0,0,0,0|2,0,0]=4 918 B8R1.3 Cc1ccc(cn1)O TS71569 [2,0,0,0,0,0|2,0,0]=4 919 B8R1.3 Cc1ccc(nc1)Br TS55127 [2,0,0,0,0,0|2,0,0]=4 920 B8R1.3 Cc1ccc(nc1)C TS47280 [2,0,0,0,0,0|1,0,0]=3 921 B8R1.3 Cc1ccc(nc1)Cl TS00914 [2,0,0,0,0,0|2,0,0]=4 922 B8R1.3 Cc1ccc(nc1)F TS01010 [2,0,0,0,0,0|2,0,0]=4 923 B8R1.3 Cc1ccc(nc1)N TS07049 [2,0,0,0,0,0|2,0,0]=4 924 B8R1.3 Cc1ccc(nc1)N TS47444 [2,0,0,0,0,0|2,0,0]=4 925 B8R1.3 Cc1ccc(nc1)O TS01053 [2,0,0,0,0,0|2,0,0]=4 926 B8R1.3 Cc1ccc(nc1)S TS05105 [2,0,0,0,0,0|2,0,0]=4 927 B8R1.3 Cc1ccc(nn1)C TS94711 [2,0,0,0,0,0|2,0,0]=4 928 B8R1.3 Cc1ccn(=O)cc1 TS09774 [2,0,0,0,0,0|2,0,0]=4 929 B8R1.3 Cc1cnc(cn1)C TS47279 [2,0,0,0,0,0|2,0,0]=4 930 B8R1.3 c1cc(ccc1Br)Br TS07885 [2,0,0,0,0,0|2,0,0]=4 931 B8R1.3 c1cc(ccc1Br)I TS00413 [2,0,0,0,0,0|2,0,0]=4 932 B8R1.3 c1cc(ccc1Cl)Br TS09601 [2,0,0,0,0,0|2,0,0]=4 933 B8R1.3 c1cc(ccc1Cl)Cl TS40485 [2,0,0,0,0,0|2,0,0]=4 934 B8R1.3 c1cc(ccc1Cl)I TS64993 [2,0,0,0,0,0|2,0,0]=4 935 B8R1.3 c1cc(ccc1Cl)[Zn+] TS59235 [2,0,0,0,0,0|2,0,0]=4 936 B8R1.3 c1cc(ccc1F)Br TS09602 [2,0,0,0,0,0|2,0,0]=4 937 B8R1.3 c1cc(ccc1F)Cl TS09203 [2,0,0,0,0,0|2,0,0]=4 938 B8R1.3 c1cc(ccc1F)F TS59891 [2,0,0,0,0,0|2,0,0]=4 939 B8R1.3 c1cc(ccc1F)I TS39508 [2,0,0,0,0,0|2,0,0]=4 940 B8R1.3 c1cc(ccc1F)S TS05333 [2,0,0,0,0,0|2,0,0]=4 941 B8R1.3 c1cc(ccc1F)S TS12288 [2,0,0,0,0,0|2,0,0]=4 942 B8R1.3 c1cc(ccc1I)I TS46809 [2,0,0,0,0,0|2,0,0]=4 943 B8R1.3 c1cc(ccc1N)Br TS70992 [2,0,0,0,0,0|2,0,0]=4 944 B8R1.3 c1cc(ccc1N)Cl TS42659 [2,0,0,0,0,0|2,0,0]=4 945 B8R1.3 c1cc(ccc1N)Cl TS71059 [2,0,0,0,0,0|2,0,0]=4 946 B8R1.3 c1cc(ccc1N)F TS71137 [2,0,0,0,0,0|2,0,0]=4 947 B8R1.3 c1cc(ccc1N)I TS71193 [2,0,0,0,0,0|2,0,0]=4 948 B8R1.3 c1cc(ccc1N)N TS38978 [2,0,0,0,0,0|2,0,0]=4 949 B8R1.3 c1cc(ccc1N)O TS07145 [2,0,0,0,0,0|2,0,0]=4 950 B8R1.3 c1cc(ccc1N)O TS59709 [2,0,0,0,0,0|2,0,0]=4 951 B8R1.3 c1cc(ccc1N)S TS39734 [2,0,0,0,0,0|2,0,0]=4 952 B8R1.3 c1cc(ccc1O)Cl TS36377 [2,0,0,0,0,0|2,0,0]=4 953 B8R1.3 c1cc(ccc1O)Cl TS40947 [2,0,0,0,0,0|2,0,0]=4 954 B8R1.3 c1cc(ccc1O)F TS33165 [2,0,0,0,0,0|2,0,0]=4 955 B8R1.3 c1cc(ccc1O)I TS59518 [2,0,0,0,0,0|2,0,0]=4 956 B8R1.3 c1cc(ccc1O)O TS01676 [2,0,0,0,0,0|2,0,0]=4 957 B8R1.3 c1cc(ccc1O)O TS02292 [2,0,0,0,0,0|2,0,0]=4 958 B8R1.3 c1cc(ccc1O)O TS24537 [2,0,0,0,0,0|2,0,0]=4 959 B8R1.3 c1cc(ccc1O)S TS36138 [2,0,0,0,0,0|2,0,0]=4 960 B8R1.3 c1cc(ccc1S)Br TS39741 [2,0,0,0,0,0|2,0,0]=4 961 B8R1.3 c1cc(ccc1S)Cl TS07052 [2,0,0,0,0,0|2,0,0]=4 962 B8R1.3 c1cc(ccc1[Zn+])Br TS64616 [2,0,0,0,0,0|2,0,0]=4 963 B10R0.60 CCC(=CC=CC(C)(C)O)C TS10503 [0,1,1,0,0,0|0,0,2]=4 964 B10R1.1 C=CCc1ccc(cc1)O TS36845 [1,1,0,0,0,0|1,0,1]=4 965 B10R1.1 CCCc1ccc(cc1)Br TS54164 [1,1,0,0,0,0|1,0,0]=3 966 B10R1.1 CCCc1ccc(cc1)C TS05929 [1,1,0,0,0,0|0,0,0]=2 967 B10R1.1 CCCc1ccc(cc1)Cl TS41466 [1,1,0,0,0,0|1,0,0]=3 968 B10R1.1 CCCc1ccc(cc1)F TS07665 [1,1,0,0,0,0|1,0,0]=3 969 B10R1.1 CCCc1ccc(cc1)I TS27402 [1,1,0,0,0,0|1,0,0]=3 970 B10R1.1 CCCc1ccc(cc1)N TS36955 [1,1,0,0,0,0|1,0,0]=3 971 B10R1.1 CCCc1ccc(cc1)O TS06088 [1,1,0,0,0,0|1,0,0]=3 972 B10R1.1 CCNc1ccc(cc1)C TS36952 [1,1,0,0,0,0|0,0,0]=2 973 B10R1.1 CCNc1ccc(cc1)Cl TS10637 [1,1,0,0,0,0|1,0,0]=3 974 B10R1.1 CCOc1ccc(cc1)Br TS38042 [1,1,0,0,0,0|1,0,0]=3 975 B10R1.1 CCOc1ccc(cc1)C TS06082 [1,1,0,0,0,0|0,0,0]=2 976 B10R1.1 CCOc1ccc(cc1)Cl TS41721 [1,1,0,0,0,0|1,0,0]=3 977 B10R1.1 CCOc1ccc(cc1)F TS37363 [1,1,0,0,0,0|1,0,0]=3 978 B10R1.1 CCOc1ccc(cc1)I TS59517 [1,1,0,0,0,0|1,0,0]=3 979 B10R1.1 CCOc1ccc(cc1)N TS33162 [1,1,0,0,0,0|1,0,0]=3 980 B10R1.1 CCOc1ccc(cc1)N TS45702 [1,1,0,0,0,0|1,0,0]=3 981 B10R1.1 CCOc1ccc(cc1)O TS06257 [1,1,0,0,0,0|1,0,0]=3 982 B10R1.1 CCOc1ccc(cn1)Br TS71417 [1,1,0,0,0,0|2,0,0]=4 983 B10R1.1 CCOc1ccc(cn1)N TS37183 [1,1,0,0,0,0|2,0,0]=4 984 B10R1.1 CCOc1ccc(nc1)Br TS19313 [1,1,0,0,0,0|2,0,0]=4 985 B10R1.1 CCOc1ccc(nc1)Cl TS10915 [1,1,0,0,0,0|2,0,0]=4 986 B10R1.1 CCOc1ccn(=O)cc1 TS06374 [1,1,0,0,0,0|2,0,0]=4 987 B10R1.1 CCOc1cnc(cn1)C TS06278 [1,1,0,0,0,0|2,0,0]=4 988 B10R1.1 CCSc1ccc(cc1)Br TS49222 [1,1,0,0,0,0|1,0,0]=3 989 B10R1.1 CCSc1ccc(cc1)Cl TS13282 [1,1,0,0,0,0|1,0,0]=3 990 B10R1.1 CNCc1ccc(cc1)Cl TS08033 [1,1,0,0,0,0|1,0,0]=3 991 B10R1.1 COCc1ccc(cc1)F TS37375 [1,1,0,0,0,0|1,0,0]=3 992 B10R1.1 CSCc1ccc(cc1)Cl TS13281 [1,1,0,0,0,0|1,0,0]=3 993 B10R1.1 Cc1ccc(cc1)C=NO TS36931 [1,1,0,0,0,0|1,0,1]=4 994 B10R1.1 Cc1ccc(cc1)CC#N TS03175 [1,1,0,0,0,0|0,0,1]=3 995 B10R1.1 Cc1ccc(cc1)CC=C TS05765 [1,1,0,0,0,0|0,0,1]=3 996 B10R1.1 Cc1ccc(cc1)CC=O TS59814 [1,1,0,0,0,0|0,0,1]=3 997 B10R1.1 Cc1ccc(cc1)CCBr TS18768 [1,1,0,0,0,0|0,0,0]=2 998 B10R1.1 Cc1ccc(cc1)CCN TS36945 [1,1,0,0,0,0|0,0,0]=2 999 B10R1.1 Cc1ccc(cc1)CCO TS06073 [1,1,0,0,0,0|0,0,0]=2 1000 B10R1.1 Cc1ccc(cc1)CNC TS01603 [1,1,0,0,0,0|0,0,0]=2 1001 B10R1.1 Cc1ccc(cc1)N=C=O TS01656 [1,1,0,0,0,0|1,0,1]=4 1002 B10R1.1 Cc1ccc(cc1)N=C=S TS07589 [1,1,0,0,0,0|1,0,1]=4 1003 B10R1.1 Cc1ccc(cc1)NC=O TS36928 [1,1,0,0,0,0|1,0,1]=4 1004 B10R1.1 Cc1ccc(cc1)SCCl TS13278 [1,1,0,0,0,0|1,0,0]=3 1005 B10R1.1 Cc1ccc(cn1)CCO TS06184 [1,1,0,0,0,0|1,0,0]=3 1006 B10R1.1 [C-]#[N+]Cc1ccc(cc1)Br TS18167 [1,1,0,0,0,0|1,0,1]=4 1007 B10R1.1 [C-]#[N+]Cc1ccc(cc1)Cl TS41066 [1,1,0,0,0,0|1,0,1]=4 1008 B10R1.1 c1cc(ccc1CC#N)Br TS71003 [1,1,0,0,0,0|1,0,1]=4 1009 B10R1.1 c1cc(ccc1CC#N)Cl TS39554 [1,1,0,0,0,0|1,0,1]=4 1010 B10R1.1 c1cc(ccc1CC#N)F TS09126 [1,1,0,0,0,0|1,0,1]=4 1011 B10R1.1 c1cc(ccc1CC#N)I TS09719 [1,1,0,0,0,0|1,0,1]=4 1012 B10R1.1 c1cc(ccc1CC#N)N TS05748 [1,1,0,0,0,0|1,0,1]=4 1013 B10R1.1 c1cc(ccc1CC#N)N TS12627 [1,1,0,0,0,0|1,0,1]=4 1014 B10R1.1 c1cc(ccc1CC#N)O TS59576 [1,1,0,0,0,0|1,0,1]=4 1015 B10R1.1 c1cc(ccc1CC=O)Br TS59562 [1,1,0,0,0,0|1,0,1]=4 1016 B10R1.1 c1cc(ccc1CC=O)Cl TS08034 [1,1,0,0,0,0|1,0,1]=4 1017 B10R1.1 c1cc(ccc1CC=O)F TS47060 [1,1,0,0,0,0|1,0,1]=4 1018 B10R1.1 c1cc(ccc1CC=O)N TS36921 [1,1,0,0,0,0|1,0,1]=4 1019 B10R1.1 c1cc(ccc1CC=O)O TS36982 [1,1,0,0,0,0|1,0,1]=4 1020 B10R1.1 c1cc(ccc1CCBr)Br TS71001 [1,1,0,0,0,0|1,0,0]=3 1021 B10R1.1 c1cc(ccc1CCBr)Cl TS08144 [1,1,0,0,0,0|1,0,0]=3 1022 B10R1.1 c1cc(ccc1CCBr)F TS38380 [1,1,0,0,0,0|1,0,0]=3 1023 B10R1.1 c1cc(ccc1CCBr)O TS38051 [1,1,0,0,0,0|1,0,0]=3 1024 B10R1.1 c1cc(ccc1CCCl)F TS11092 [1,1,0,0,0,0|1,0,0]=3 1025 B10R1.1 c1cc(ccc1CCN)Br TS34272 [1,1,0,0,0,0|1,0,0]=3 1026 B10R1.1 c1cc(ccc1CCN)Br TS71000 [1,1,0,0,0,0|1,0,0]=3 1027 B10R1.1 c1cc(ccc1CCN)Cl TS10636 [1,1,0,0,0,0|1,0,0]=3 1028 B10R1.1 c1cc(ccc1CCN)Cl TS51403 [1,1,0,0,0,0|1,0,0]=3 1029 B10R1.1 c1cc(ccc1CCN)F TS03097 [1,1,0,0,0,0|1,0,0]=3 1030 B10R1.1 c1cc(ccc1CCN)F TS13760 [1,1,0,0,0,0|1,0,0]=3 1031 B10R1.1 c1cc(ccc1CCN)I TS27555 [1,1,0,0,0,0|1,0,0]=3 1032 B10R1.1 c1cc(ccc1CCN)N TS09521 [1,1,0,0,0,0|1,0,0]=3 1033 B10R1.1 c1cc(ccc1CCN)N TS37024 [1,1,0,0,0,0|1,0,0]=3 1034 B10R1.1 c1cc(ccc1CCN)O TS01822 [1,1,0,0,0,0|1,0,0]=3 1035 B10R1.1 c1cc(ccc1CCN)O TS39727 [1,1,0,0,0,0|1,0,0]=3 1036 B10R1.1 c1cc(ccc1CCO)Br TS16460 [1,1,0,0,0,0|1,0,0]=3 1037 B10R1.1 c1cc(ccc1CCO)Cl TS10797 [1,1,0,0,0,0|1,0,0]=3 1038 B10R1.1 c1cc(ccc1CCO)F TS39509 [1,1,0,0,0,0|1,0,0]=3 1039 B10R1.1 c1cc(ccc1CCO)N TS39616 [1,1,0,0,0,0|1,0,0]=3 1040 B10R1.1 c1cc(ccc1CCO)O TS47066 [1,1,0,0,0,0|1,0,0]=3 1041 B10R1.1 c1cc(ccc1CNN)Br TS91149 [1,1,0,0,0,0|2,0,0]=4 1042 B10R1.1 c1cc(ccc1CNN)Cl TS90344 [1,1,0,0,0,0|2,0,0]=4 1043 B10R1.1 c1cc(ccc1CNN)F TS88239 [1,1,0,0,0,0|2,0,0]=4 1044 B10R1.1 c1cc(ccc1CNN)F TS94903 [1,1,0,0,0,0|2,0,0]=4 1045 B10R1.1 c1cc(ccc1CO[NH3+])Cl TS39582 [1,1,0,0,0,0|2,0,0]=4 1046 B10R1.1 c1cc(ccc1CO[NH3+])F TS93852 [1,1,0,0,0,0|2,0,0]=4 1047 B10R1.1 c1cc(ncc1Br)CCN TS88073 [1,1,0,0,0,0|2,0,0]=4 1048 B10R1.1 c1cc(ncc1Br)CCO TS86702 [1,1,0,0,0,0|2,0,0]=4 1049 B10R1.3 C=Cc1ccc(cc1)CO TS36844 [1,1,0,0,0,0|0,0,2]=4 1050 B10R1.3 C=Cc1ccc(cc1)CO TS69333 [1,1,0,0,0,0|0,0,2]=4 1051 B10R1.3 CCc1ccc(cc1)C#C TS59670 [1,1,0,0,0,0|0,0,1]=3 1052 B10R1.3 CCc1ccc(cc1)C#N TS05665 [1,1,0,0,0,0|0,0,1]=3 1053 B10R1.3 CCc1ccc(cc1)C=C TS36711 [1,1,0,0,0,0|0,0,1]=3 1054 B10R1.3 CCc1ccc(cc1)C=O TS36835 [1,1,0,0,0,0|0,0,1]=3 1055 B10R1.3 CCc1ccc(cc1)CC TS05932 [1,1,0,0,0,0|0,0,0]=2 1056 B10R1.3 CCc1ccc(cc1)CCl TS07791 [1,1,0,0,0,0|0,0,0]=2 1057 B10R1.3 CCc1ccc(cc1)CN TS36956 [1,1,0,0,0,0|0,0,0]=2 1058 B10R1.3 CCc1ccc(cc1)CO TS06078 [1,1,0,0,0,0|0,0,0]=2 1059 B10R1.3 CCc1ccc(cc1)OC TS06096 [1,1,0,0,0,0|0,0,0]=2 1060 B10R1.3 CCc1ccc(nc1)C=C TS65158 [1,1,0,0,0,0|1,0,1]=4 1061 B10R1.3 CCc1cnc(cn1)CC TS37027 [1,1,0,0,0,0|2,0,0]=4 1062 B10R1.3 CNc1ccc(cc1)C#N TS07763 [1,1,0,0,0,0|1,0,1]=4 1063 B10R1.3 CNc1ccc(cc1)OC TS01939 [1,1,0,0,0,0|1,0,0]=3 1064 B10R1.3 COc1ccc(cc1)C#C TS03157 [1,1,0,0,0,0|0,0,2]=4 1065 B10R1.3 COc1ccc(cc1)C#N TS07812 [1,1,0,0,0,0|1,0,1]=4 1066 B10R1.3 COc1ccc(cc1)C=C TS36841 [1,1,0,0,0,0|0,0,2]=4 1067 B10R1.3 COc1ccc(cc1)C=O TS36981 [1,1,0,0,0,0|1,0,1]=4 1068 B10R1.3 COc1ccc(cc1)CBr TS03143 [1,1,0,0,0,0|1,0,0]=3 1069 B10R1.3 COc1ccc(cc1)CCl TS60060 [1,1,0,0,0,0|1,0,0]=3 1070 B10R1.3 COc1ccc(cc1)CN TS03142 [1,1,0,0,0,0|1,0,0]=3 1071 B10R1.3 COc1ccc(cc1)CS TS03144 [1,1,0,0,0,0|1,0,0]=3 1072 B10R1.3 COc1ccc(cc1)C[Zn+] TS50043 [1,1,0,0,0,0|1,0,0]=3 1073 B10R1.3 COc1ccc(cc1)NN TS45874 [1,1,0,0,0,0|2,0,0]=4 1074 B10R1.3 COc1ccc(cc1)OC TS07887 [1,1,0,0,0,0|1,0,0]=3 1075 B10R1.3 COc1ccc(cc1)SC TS41410 [1,1,0,0,0,0|1,0,0]=3 1076 B10R1.3 COc1ccc(cc1)[Mg]Br TS44050 [1,1,0,0,0,0|2,0,0]=4 1077 B10R1.3 COc1ccc(cc1)[N+]#N TS50040 [1,1,0,0,0,0|2,0,0]=4 1078 B10R1.3 COc1ccc(cc1)[N+]#[C-] TS36751 [1,1,0,0,0,0|1,0,1]=4 1079 B10R1.3 COc1ccc(cn1)CN TS91541 [1,1,0,0,0,0|2,0,0]=4 1080 B10R1.3 COc1ccc(cn1)CO TS87332 [1,1,0,0,0,0|2,0,0]=4 1081 B10R1.3 COc1ccc(nc1)CCl TS90886 [1,1,0,0,0,0|2,0,0]=4 1082 B10R1.3 COc1ccc(nc1)CO TS91157 [1,1,0,0,0,0|2,0,0]=4 1083 B10R1.3 COc1ccc(nc1)OC TS94185 [1,1,0,0,0,0|2,0,0]=4 1084 B10R1.3 CSc1ccc(cc1)C#N TS40765 [1,1,0,0,0,0|1,0,1]=4 1085 B10R1.3 CSc1ccc(cc1)C=O TS71245 [1,1,0,0,0,0|1,0,1]=4 1086 B10R1.3 CSc1ccc(cc1)CCl TS13280 [1,1,0,0,0,0|1,0,0]=3 1087 B10R1.3 CSc1ccc(cc1)CO TS41407 [1,1,0,0,0,0|1,0,0]=3 1088 B10R1.3 CSc1ccc(cc1)NN TS46693 [1,1,0,0,0,0|2,0,0]=4 1089 B10R1.3 CSc1ccc(cc1)[Mg]Br TS24404 [1,1,0,0,0,0|2,0,0]=4 1090 B10R1.3 CSc1ccc(cc1)[Mg]Cl TS15085 [1,1,0,0,0,0|2,0,0]=4 1091 B10R1.3 c1cc(ccc1CBr)C#N TS03060 [1,1,0,0,0,0|1,0,1]=4 1092 B10R1.3 c1cc(ccc1CBr)C=O TS08637 [1,1,0,0,0,0|1,0,1]=4 1093 B10R1.3 c1cc(ccc1CBr)CBr TS39926 [1,1,0,0,0,0|1,0,0]=3 1094 B10R1.3 c1cc(ccc1CCl)C#N TS33158 [1,1,0,0,0,0|1,0,1]=4 1095 B10R1.3 c1cc(ccc1CCl)CCl TS13622 [1,1,0,0,0,0|1,0,0]=3 1096 B10R1.3 c1cc(ccc1CN)C#N TS03059 [1,1,0,0,0,0|1,0,1]=4 1097 B10R1.3 c1cc(ccc1CN)C#N TS16889 [1,1,0,0,0,0|1,0,1]=4 1098 B10R1.3 c1cc(ccc1CN)CO TS03000 [1,1,0,0,0,0|1,0,0]=3 1099 B10R1.3 c1cc(ccc1CN)CO TS45704 [1,1,0,0,0,0|1,0,0]=3 1100 B10R1.3 c1cc(ccc1CO)C#N TS01797 [1,1,0,0,0,0|1,0,1]=4 1101 B10R1.3 c1cc(ccc1CO)CBr TS16757 [1,1,0,0,0,0|1,0,0]=3 1102 B10R1.3 c1cc(ccc1CO)CO TS06244 [1,1,0,0,0,0|1,0,0]=3 1103 B10R1.3 c1cc(ccc1CS)CS TS12899 [1,1,0,0,0,0|1,0,0]=3 1104 B10R1.3 c1cc(ccc1C[Zn+])C#N TS68531 [1,1,0,0,0,0|1,0,1]=4 1105 B10R1.25 CCc1c(cc(cn1)Br)N TS85926 [1,1,0,0,0,0|2,0,0]=4 1106 B10R1.25 CCc1c(nc(cn1)C)C TS37031 [1,1,0,0,0,0|2,0,0]=4 1107 B10R1.25 CCc1ccc([nH]c1=O)C TS37106 [1,1,0,0,0,0|1,0,0]=3 1108 B10R1.25 CCc1ccc(cc1C)C TS36871 [1,1,0,0,0,0|0,0,0]=2 1109 B10R1.25 CCc1ccc(cc1O)O TS06247 [1,1,0,0,0,0|1,0,0]=3 1110 B10R1.25 CCc1ccc(nc1N)C TS06103 [1,1,0,0,0,0|1,0,0]=3 1111 B10R1.25 CCc1cnc(cc1N)C TS03292 [1,1,0,0,0,0|1,0,0]=3 1112 B10R1.25 CCn1ccc(cc1=O)Br TS92560 [1,1,0,0,0,0|2,0,0]=4 1113 B10R1.25 CCn1ccc(cc1=O)N TS88737 [1,1,0,0,0,0|2,0,0]=4 1114 B10R1.25 CNc1ccc(cc1F)F TS40063 [1,1,0,0,0,0|2,0,0]=4 1115 B10R1.25 COc1ccc(cc1Br)Br TS73450 [1,1,0,0,0,0|2,0,0]=4 1116 B10R1.25 COc1ccc(cc1Br)Cl TS16842 [1,1,0,0,0,0|2,0,0]=4 1117 B10R1.25 COc1ccc(cc1Br)F TS55106 [1,1,0,0,0,0|2,0,0]=4 1118 B10R1.25 COc1ccc(cc1Cl)Br TS00004 [1,1,0,0,0,0|2,0,0]=4 1119 B10R1.25 COc1ccc(cc1Cl)Cl TS13955 [1,1,0,0,0,0|2,0,0]=4 1120 B10R1.25 COc1ccc(cc1Cl)F TS09271 [1,1,0,0,0,0|2,0,0]=4 1121 B10R1.25 COc1ccc(cc1Cl)N TS10908 [1,1,0,0,0,0|2,0,0]=4 1122 B10R1.25 COc1ccc(cc1F)Br TS60384 [1,1,0,0,0,0|2,0,0]=4 1123 B10R1.25 COc1ccc(cc1F)Cl TS39482 [1,1,0,0,0,0|2,0,0]=4 1124 B10R1.25 COc1ccc(cc1F)F TS09234 [1,1,0,0,0,0|2,0,0]=4 1125 B10R1.25 COc1ccc(cc1F)N TS02745 [1,1,0,0,0,0|2,0,0]=4 1126 B10R1.25 COc1ccc(cc1F)O TS02753 [1,1,0,0,0,0|2,0,0]=4 1127 B10R1.25 COc1ccc(cc1F)S TS10975 [1,1,0,0,0,0|2,0,0]=4 1128 B10R1.25 COc1ccc(cc1I)Cl TS39489 [1,1,0,0,0,0|2,0,0]=4 1129 B10R1.25 COc1ccc(cc1I)N TS39440 [1,1,0,0,0,0|2,0,0]=4 1130 B10R1.25 COc1ccc(cc1I)N TS54863 [1,1,0,0,0,0|2,0,0]=4 1131 B10R1.25 COc1ccc(cc1N)Br TS38194 [1,1,0,0,0,0|2,0,0]=4 1132 B10R1.25 COc1ccc(cc1N)Cl TS03051 [1,1,0,0,0,0|2,0,0]=4 1133 B10R1.25 COc1ccc(cc1N)Cl TS10909 [1,1,0,0,0,0|2,0,0]=4 1134 B10R1.25 COc1ccc(cc1N)Cl TS17765 [1,1,0,0,0,0|2,0,0]=4 1135 B10R1.25 COc1ccc(cc1N)F TS07833 [1,1,0,0,0,0|2,0,0]=4 1136 B10R1.25 COc1ccc(cc1N)I TS65363 [1,1,0,0,0,0|2,0,0]=4 1137 B10R1.25 COc1ccc(cc1N)N TS37199 [1,1,0,0,0,0|2,0,0]=4 1138 B10R1.25 COc1ccc(cc1N)N TS43949 [1,1,0,0,0,0|2,0,0]=4 1139 B10R1.25 COc1ccc(cc1N)N TS56780 [1,1,0,0,0,0|2,0,0]=4 1140 B10R1.25 COc1ccc(cc1O)Br TS85281 [1,1,0,0,0,0|2,0,0]=4 1141 B10R1.25 COc1ccc(cc1O)F TS07835 [1,1,0,0,0,0|2,0,0]=4 1142 B10R1.25 COc1ccc(cc1O)N TS37282 [1,1,0,0,0,0|2,0,0]=4 1143 B10R1.25 COc1ccc(cc1O)O TS06433 [1,1,0,0,0,0|2,0,0]=4 1144 B10R1.25 COc1ccc(cc1S)F TS10974 [1,1,0,0,0,0|2,0,0]=4 1145 B10R1.25 CSc1ccc(cc1Cl)N TS45707 [1,1,0,0,0,0|2,0,0]=4 1146 B10R1.25 Cc1cc(ccc1CN)Cl TS10634 [1,1,0,0,0,0|2,0,0]=4 1147 B10R1.25 Cc1cc(ccc1CN)F TS37292 [1,1,0,0,0,0|2,0,0]=4 1148 B10R1.25 Cc1cc(ccc1CO)F TS06460 [1,1,0,0,0,0|2,0,0]=4 1149 B10R1.25 Cc1cc(ccc1OC)Br TS38047 [1,1,0,0,0,0|2,0,0]=4 1150 B10R1.25 Cc1cc(ccc1OC)Cl TS10800 [1,1,0,0,0,0|2,0,0]=4 1151 B10R1.25 Cc1cc(ccc1OC)F TS06457 [1,1,0,0,0,0|2,0,0]=4 1152 B10R1.25 Cc1cc(ccc1OC)I TS62512 [1,1,0,0,0,0|2,0,0]=4 1153 B10R1.25 Cc1cc(ccc1OC)N TS71211 [1,1,0,0,0,0|2,0,0]=4 1154 B10R1.25 Cc1cc(ccc1SC)O TS41411 [1,1,0,0,0,0|2,0,0]=4 1155 B10R1.25 Cc1ccc(c(c1)Br)C#N TS60262 [1,1,0,0,0,0|1,0,1]=4 1156 B10R1.25 Cc1ccc(c(c1)Br)C=O TS08331 [1,1,0,0,0,0|1,0,1]=4 1157 B10R1.25 Cc1ccc(c(c1)Br)OC TS09331 [1,1,0,0,0,0|1,0,0]=3 1158 B10R1.25 Cc1ccc(c(c1)Br)[N+]#[C-] TS18164 [1,1,0,0,0,0|1,0,1]=4 1159 B10R1.25 Cc1ccc(c(c1)C)C#N TS05671 [1,1,0,0,0,0|1,0,1]=4 1160 B10R1.25 Cc1ccc(c(c1)C)C=C TS05767 [1,1,0,0,0,0|0,0,2]=4 1161 B10R1.25 Cc1ccc(c(c1)C)C=O TS36832 [1,1,0,0,0,0|1,0,1]=4 1162 B10R1.25 Cc1ccc(c(c1)C)CBr TS54162 [1,1,0,0,0,0|1,0,0]=3 1163 B10R1.25 Cc1ccc(c(c1)C)CCl TS41471 [1,1,0,0,0,0|1,0,0]=3 1164 B10R1.25 Cc1ccc(c(c1)C)CN TS06003 [1,1,0,0,0,0|1,0,0]=3 1165 B10R1.25 Cc1ccc(c(c1)C)CO TS37015 [1,1,0,0,0,0|1,0,0]=3 1166 B10R1.25 Cc1ccc(c(c1)C)NN TS00644 [1,1,0,0,0,0|2,0,0]=4 1167 B10R1.25 Cc1ccc(c(c1)C)OC TS06090 [1,1,0,0,0,0|1,0,0]=3 1168 B10R1.25 Cc1ccc(c(c1)Cl)C#N TS55233 [1,1,0,0,0,0|1,0,1]=4 1169 B10R1.25 Cc1ccc(c(c1)Cl)NN TS08829 [1,1,0,0,0,0|2,0,0]=4 1170 B10R1.25 Cc1ccc(c(c1)Cl)OC TS41726 [1,1,0,0,0,0|1,0,0]=3 1171 B10R1.25 Cc1ccc(c(c1)F)C#N TS55342 [1,1,0,0,0,0|1,0,1]=4 1172 B10R1.25 Cc1ccc(c(c1)F)C=O TS01780 [1,1,0,0,0,0|1,0,1]=4 1173 B10R1.25 Cc1ccc(c(c1)F)NN TS13943 [1,1,0,0,0,0|2,0,0]=4 1174 B10R1.25 Cc1ccc(c(c1)F)OC TS06451 [1,1,0,0,0,0|1,0,0]=3 1175 B10R1.25 Cc1ccc(c(c1)I)OC TS39442 [1,1,0,0,0,0|1,0,0]=3 1176 B10R1.25 Cc1ccc(c(c1)N)C#N TS65364 [1,1,0,0,0,0|1,0,1]=4 1177 B10R1.25 Cc1ccc(c(c1)N)OC TS06191 [1,1,0,0,0,0|1,0,0]=3 1178 B10R1.25 Cc1ccc(c(c1)O)C#N TS01044 [1,1,0,0,0,0|1,0,1]=4 1179 B10R1.25 Cc1ccc(c(c1)O)C=O TS01043 [1,1,0,0,0,0|1,0,1]=4 1180 B10R1.25 Cc1ccc(c(c1)O)OC TS06265 [1,1,0,0,0,0|1,0,0]=3 1181 B10R1.25 Cc1ccc(c(n1)Br)OC TS19318 [1,1,0,0,0,0|2,0,0]=4 1182 B10R1.25 Cc1ccc(c(n1)C)CO TS06194 [1,1,0,0,0,0|2,0,0]=4 1183 B10R1.25 c1cc(c(cc1Br)F)CCl TS50366 [1,1,0,0,0,0|2,0,0]=4 1184 B10R1.25 c1cc(c(cc1Br)F)CN TS00009 [1,1,0,0,0,0|2,0,0]=4 1185 B10R1.25 c1cc(c(cc1Br)F)CN TS26597 [1,1,0,0,0,0|2,0,0]=4 1186 B10R1.25 c1cc(c(cc1Br)F)CO TS60386 [1,1,0,0,0,0|2,0,0]=4 1187 B10R1.25 c1cc(c(cc1Br)F)CS TS49908 [1,1,0,0,0,0|2,0,0]=4 1188 B10R1.25 c1cc(c(cc1Br)O)CO TS60424 [1,1,0,0,0,0|2,0,0]=4 1189 B10R1.25 c1cc(c(cc1Cl)Cl)CCl TS52075 [1,1,0,0,0,0|2,0,0]=4 1190 B10R1.25 c1cc(c(cc1Cl)Cl)CN TS46039 [1,1,0,0,0,0|2,0,0]=4 1191 B10R1.25 c1cc(c(cc1Cl)Cl)CO TS13963 [1,1,0,0,0,0|2,0,0]=4 1192 B10R1.25 c1cc(c(cc1Cl)Cl)CS TS51591 [1,1,0,0,0,0|2,0,0]=4 1193 B10R1.25 c1cc(c(cc1Cl)F)CBr TS39484 [1,1,0,0,0,0|2,0,0]=4 1194 B10R1.25 c1cc(c(cc1Cl)F)CCl TS47666 [1,1,0,0,0,0|2,0,0]=4 1195 B10R1.25 c1cc(c(cc1Cl)F)CN TS18170 [1,1,0,0,0,0|2,0,0]=4 1196 B10R1.25 c1cc(c(cc1Cl)F)CN TS39485 [1,1,0,0,0,0|2,0,0]=4 1197 B10R1.25 c1cc(c(cc1Cl)F)CO TS42237 [1,1,0,0,0,0|2,0,0]=4 1198 B10R1.25 c1cc(c(cc1F)Br)CBr TS08318 [1,1,0,0,0,0|2,0,0]=4 1199 B10R1.25 c1cc(c(cc1F)Br)CN TS26596 [1,1,0,0,0,0|2,0,0]=4 1200 B10R1.25 c1cc(c(cc1F)Br)CO TS19894 [1,1,0,0,0,0|2,0,0]=4 1201 B10R1.25 c1cc(c(cc1F)Cl)CBr TS09272 [1,1,0,0,0,0|2,0,0]=4 1202 B10R1.25 c1cc(c(cc1F)Cl)CCl TS47667 [1,1,0,0,0,0|2,0,0]=4 1203 B10R1.25 c1cc(c(cc1F)Cl)CN TS09273 [1,1,0,0,0,0|2,0,0]=4 1204 B10R1.25 c1cc(c(cc1F)Cl)CO TS42235 [1,1,0,0,0,0|2,0,0]=4 1205 B10R1.25 c1cc(c(cc1F)F)CCl TS09236 [1,1,0,0,0,0|2,0,0]=4 1206 B10R1.25 c1cc(c(cc1F)F)CN TS00632 [1,1,0,0,0,0|2,0,0]=4 1207 B10R1.25 c1cc(c(cc1F)F)CO TS09235 [1,1,0,0,0,0|2,0,0]=4 1208 B10R1.25 c1cc(c(cc1F)I)CBr TS76743 [1,1,0,0,0,0|2,0,0]=4 1209 B10R1.25 c1cc(c(cc1F)N)CBr TS19670 [1,1,0,0,0,0|2,0,0]=4 1210 B10R1.25 c1cc(c(cc1F)N)CCl TS11188 [1,1,0,0,0,0|2,0,0]=4 1211 B10R1.25 c1cc(c(cc1O)O)CO TS37344 [1,1,0,0,0,0|2,0,0]=4 1212 B10R1.176 CCc1ccc(c(c1)C)C TS05926 [1,1,0,0,0,0|0,0,0]=2 1213 B10R1.176 CCc1ccc(c(c1)O)Cl TS41725 [1,1,0,0,0,0|1,0,0]=3 1214 B10R1.176 CCc1ccc(c(c1)O)N TS45705 [1,1,0,0,0,0|1,0,0]=3 1215 B10R1.176 CCc1ccc(c(c1)O)O TS06251 [1,1,0,0,0,0|1,0,0]=3 1216 B10R1.176 CCc1cnc(c(n1)C)C TS37046 [1,1,0,0,0,0|2,0,0]=4 1217 B10R1.176 COc1ccc(c(c1)Br)Br TS65444 [1,1,0,0,0,0|2,0,0]=4 1218 B10R1.176 COc1ccc(c(c1)Br)Cl TS09326 [1,1,0,0,0,0|2,0,0]=4 1219 B10R1.176 COc1ccc(c(c1)Br)N TS19316 [1,1,0,0,0,0|2,0,0]=4 1220 B10R1.176 COc1ccc(c(c1)Cl)Br TS09571 [1,1,0,0,0,0|2,0,0]=4 1221 B10R1.176 COc1ccc(c(c1)Cl)Cl TS13958 [1,1,0,0,0,0|2,0,0]=4 1222 B10R1.176 COc1ccc(c(c1)Cl)F TS42230 [1,1,0,0,0,0|2,0,0]=4 1223 B10R1.176 COc1ccc(c(c1)Cl)O TS55224 [1,1,0,0,0,0|2,0,0]=4 1224 B10R1.176 COc1ccc(c(c1)F)Br TS32865 [1,1,0,0,0,0|2,0,0]=4 1225 B10R1.176 COc1ccc(c(c1)F)Cl TS07778 [1,1,0,0,0,0|2,0,0]=4 1226 B10R1.176 COc1ccc(c(c1)F)F TS60319 [1,1,0,0,0,0|2,0,0]=4 1227 B10R1.176 COc1ccc(c(c1)F)N TS55333 [1,1,0,0,0,0|2,0,0]=4 1228 B10R1.176 COc1ccc(c(c1)F)O TS55337 [1,1,0,0,0,0|2,0,0]=4 1229 B10R1.176 COc1ccc(c(c1)I)Br TS61047 [1,1,0,0,0,0|2,0,0]=4 1230 B10R1.176 COc1ccc(c(c1)I)N TS60298 [1,1,0,0,0,0|2,0,0]=4 1231 B10R1.176 COc1ccc(c(c1)N)Br TS08349 [1,1,0,0,0,0|2,0,0]=4 1232 B10R1.176 COc1ccc(c(c1)N)Cl TS08442 [1,1,0,0,0,0|2,0,0]=4 1233 B10R1.176 COc1ccc(c(c1)N)Cl TS55252 [1,1,0,0,0,0|2,0,0]=4 1234 B10R1.176 COc1ccc(c(c1)N)F TS09302 [1,1,0,0,0,0|2,0,0]=4 1235 B10R1.176 COc1ccc(c(c1)N)N TS94383 [1,1,0,0,0,0|2,0,0]=4 1236 B10R1.176 COc1ccc(c(c1)N)O TS08806 [1,1,0,0,0,0|2,0,0]=4 1237 B10R1.176 COc1ccc(c(c1)O)Br TS08352 [1,1,0,0,0,0|2,0,0]=4 1238 B10R1.176 COc1ccc(c(c1)O)Cl TS11086 [1,1,0,0,0,0|2,0,0]=4 1239 B10R1.176 COc1ccc(c(c1)O)N TS13758 [1,1,0,0,0,0|2,0,0]=4 1240 B10R1.176 CSc1ccc(c(c1)Cl)Cl TS51593 [1,1,0,0,0,0|2,0,0]=4 1241 B10R1.176 Cc1cc(ccc1Br)OC TS09585 [1,1,0,0,0,0|2,0,0]=4 1242 B10R1.176 Cc1cc(ccc1Cl)OC TS41716 [1,1,0,0,0,0|2,0,0]=4 1243 B10R1.176 Cc1cc(ccc1F)CBr TS38382 [1,1,0,0,0,0|2,0,0]=4 1244 B10R1.176 Cc1cc(ccc1F)CN TS39504 [1,1,0,0,0,0|2,0,0]=4 1245 B10R1.176 Cc1cc(ccc1F)CO TS37371 [1,1,0,0,0,0|2,0,0]=4 1246 B10R1.176 Cc1cc(ccc1F)OC TS60402 [1,1,0,0,0,0|2,0,0]=4 1247 B10R1.176 Cc1cc(ccc1N)OC TS71202 [1,1,0,0,0,0|2,0,0]=4 1248 B10R1.176 Cc1ccc(cc1Br)C#N TS09457 [1,1,0,0,0,0|1,0,1]=4 1249 B10R1.176 Cc1ccc(cc1C)C#N TS65764 [1,1,0,0,0,0|1,0,1]=4 1250 B10R1.176 Cc1ccc(cc1C)C=O TS05906 [1,1,0,0,0,0|1,0,1]=4 1251 B10R1.176 Cc1ccc(cc1C)CCl TS41472 [1,1,0,0,0,0|1,0,0]=3 1252 B10R1.176 Cc1ccc(cc1C)CN TS65456 [1,1,0,0,0,0|1,0,0]=3 1253 B10R1.176 Cc1ccc(cc1C)CO TS65455 [1,1,0,0,0,0|1,0,0]=3 1254 B10R1.176 Cc1ccc(cc1C)NN TS13274 [1,1,0,0,0,0|2,0,0]=4 1255 B10R1.176 Cc1ccc(cc1C)OC TS06079 [1,1,0,0,0,0|1,0,0]=3 1256 B10R1.176 Cc1ccc(cc1Cl)C#N TS02025 [1,1,0,0,0,0|1,0,1]=4 1257 B10R1.176 Cc1ccc(cc1Cl)C=O TS41459 [1,1,0,0,0,0|1,0,1]=4 1258 B10R1.176 Cc1ccc(cc1Cl)CCl TS13624 [1,1,0,0,0,0|1,0,0]=3 1259 B10R1.176 Cc1ccc(cc1Cl)CN TS07745 [1,1,0,0,0,0|1,0,0]=3 1260 B10R1.176 Cc1ccc(cc1Cl)CO TS41715 [1,1,0,0,0,0|1,0,0]=3 1261 B10R1.176 Cc1ccc(cc1Cl)NN TS02033 [1,1,0,0,0,0|2,0,0]=4 1262 B10R1.176 Cc1ccc(cc1Cl)OC TS65983 [1,1,0,0,0,0|1,0,0]=3 1263 B10R1.176 Cc1ccc(cc1F)C#N TS02757 [1,1,0,0,0,0|1,0,1]=4 1264 B10R1.176 Cc1ccc(cc1F)CBr TS38381 [1,1,0,0,0,0|1,0,0]=3 1265 B10R1.176 Cc1ccc(cc1F)CCl TS11091 [1,1,0,0,0,0|1,0,0]=3 1266 B10R1.176 Cc1ccc(cc1F)CN TS65517 [1,1,0,0,0,0|1,0,0]=3 1267 B10R1.176 Cc1ccc(cc1F)CO TS06453 [1,1,0,0,0,0|1,0,0]=3 1268 B10R1.176 Cc1ccc(cc1F)NN TS65519 [1,1,0,0,0,0|2,0,0]=4 1269 B10R1.176 Cc1ccc(cc1F)OC TS65516 [1,1,0,0,0,0|1,0,0]=3 1270 B10R1.176 Cc1ccc(cc1N)C#N TS65469 [1,1,0,0,0,0|1,0,1]=4 1271 B10R1.176 Cc1ccc(cc1N)OC TS39535 [1,1,0,0,0,0|1,0,0]=3 1272 B10R1.176 Cc1ccc(cc1O)C=O TS36990 [1,1,0,0,0,0|1,0,1]=4 1273 B10R1.176 Cn1ccc(cc1=O)CN TS86809 [1,1,0,0,0,0|2,0,0]=4 1274 B10R1.176 Cn1ccc(cc1=O)CO TS87554 [1,1,0,0,0,0|2,0,0]=4 1275 B10R1.176 c1cc(c(cc1CBr)Br)F TS09327 [1,1,0,0,0,0|2,0,0]=4 1276 B10R1.176 c1cc(c(cc1CBr)Cl)Cl TS02539 [1,1,0,0,0,0|2,0,0]=4 1277 B10R1.176 c1cc(c(cc1CBr)Cl)F TS02685 [1,1,0,0,0,0|2,0,0]=4 1278 B10R1.176 c1cc(c(cc1CBr)F)Br TS29436 [1,1,0,0,0,0|2,0,0]=4 1279 B10R1.176 c1cc(c(cc1CBr)F)Cl TS09634 [1,1,0,0,0,0|2,0,0]=4 1280 B10R1.176 c1cc(c(cc1CBr)F)F TS65754 [1,1,0,0,0,0|2,0,0]=4 1281 B10R1.176 c1cc(c(cc1CCl)Cl)F TS65497 [1,1,0,0,0,0|2,0,0]=4 1282 B10R1.176 c1cc(c(cc1CCl)F)Cl TS07779 [1,1,0,0,0,0|2,0,0]=4 1283 B10R1.176 c1cc(c(cc1CCl)F)F TS65755 [1,1,0,0,0,0|2,0,0]=4 1284 B10R1.176 c1cc(c(cc1CN)Br)O TS19315 [1,1,0,0,0,0|2,0,0]=4 1285 B10R1.176 c1cc(c(cc1CN)Cl)Cl TS46040 [1,1,0,0,0,0|2,0,0]=4 1286 B10R1.176 c1cc(c(cc1CN)Cl)F TS02691 [1,1,0,0,0,0|2,0,0]=4 1287 B10R1.176 c1cc(c(cc1CN)F)Cl TS11187 [1,1,0,0,0,0|2,0,0]=4 1288 B10R1.176 c1cc(c(cc1CN)F)F TS65451 [1,1,0,0,0,0|2,0,0]=4 1289 B10R1.176 c1cc(c(cc1CN)O)O TS06377 [1,1,0,0,0,0|2,0,0]=4 1290 B10R1.176 c1cc(c(cc1CN)O)O TS22688 [1,1,0,0,0,0|2,0,0]=4 1291 B10R1.176 c1cc(c(cc1CO)Br)O TS38375 [1,1,0,0,0,0|2,0,0]=4 1292 B10R1.176 c1cc(c(cc1CO)Cl)Cl TS13956 [1,1,0,0,0,0|2,0,0]=4 1293 B10R1.176 c1cc(c(cc1CO)Cl)F TS65496 [1,1,0,0,0,0|2,0,0]=4 1294 B10R1.176 c1cc(c(cc1CO)F)Br TS19893 [1,1,0,0,0,0|2,0,0]=4 1295 B10R1.176 c1cc(c(cc1CO)F)Cl TS42234 [1,1,0,0,0,0|2,0,0]=4 1296 B10R1.176 c1cc(c(cc1CO)F)F TS65450 [1,1,0,0,0,0|2,0,0]=4 1297 B10R1.176 c1cc(c(cc1CO)O)I TS39307 [1,1,0,0,0,0|2,0,0]=4 1298 B10R1.176 c1cc(c(cc1CO)O)O TS37342 [1,1,0,0,0,0|2,0,0]=4 1299 B10R1.176 c1cc(c(cc1CS)Cl)Cl TS51592 [1,1,0,0,0,0|2,0,0]=4 1300 B10R1.176 c1cc(c(cc1C[Zn+])F)F TS33417 [1,1,0,0,0,0|2,0,0]=4 1301 B10R1.15 C#CC(c1ccccc1)O TS36663 [1,1,0,0,0,0|1,0,1]=4 1302 B10R1.15 C=CC(c1ccccc1)Cl TS41223 [1,1,0,0,0,0|1,0,1]=4 1303 B10R1.15 C=CC(c1ccccc1)O TS36829 [1,1,0,0,0,0|1,0,1]=4 1304 B10R1.15 C=C[C@@H](c1ccccc1)O TS36848 [1,1,0,0,0,0|1,0,1]=4 1305 B10R1.15 C=C[C@H](c1ccccc1)O TS36828 [1,1,0,0,0,0|1,0,1]=4 1306 B10R1.15 CC(=NN)c1ccccc1 TS05912 [1,1,0,0,0,0|1,0,1]=4 1307 B10R1.15 CC(=NO)c1ccccc1 TS36930 [1,1,0,0,0,0|1,0,1]=4 1308 B10R1.15 CC(CBr)c1ccccc1 TS54166 [1,1,0,0,0,0|0,0,0]=2 1309 B10R1.15 CC(CN)c1ccccc1 TS36949 [1,1,0,0,0,0|0,0,0]=2 1310 B10R1.15 CC(CO)c1ccccc1 TS06093 [1,1,0,0,0,0|0,0,0]=2 1311 B10R1.15 CC(c1ccccc1)[N+]#[C-] TS05667 [1,1,0,0,0,0|0,0,1]=3 1312 B10R1.15 CC=C(C)c1ccccc1 TS36697 [1,1,0,0,0,0|0,0,1]=3 1313 B10R1.15 CCC(=C)c1ccccc1 TS36703 [1,1,0,0,0,0|0,0,2]=4 1314 B10R1.15 CCC(=O)c1ccccc1 TS00059 [1,1,0,0,0,0|1,0,1]=4 1315 B10R1.15 CCC(C)c1ccccc1 TS36864 [1,1,0,0,0,0|0,0,0]=2 1316 B10R1.15 CCC(C)c1cnccn1 TS37025 [1,1,0,0,0,0|2,0,0]=4 1317 B10R1.15 CCC(c1ccccc1)N TS36947 [1,1,0,0,0,0|1,0,0]=3 1318 B10R1.15 CCC(c1ccccc1)O TS37007 [1,1,0,0,0,0|1,0,0]=3 1319 B10R1.15 CCC(c1ccncc1)N TS06101 [1,1,0,0,0,0|2,0,0]=4 1320 B10R1.15 CCN(C)c1ccccc1 TS36948 [1,1,0,0,0,0|1,0,0]=3 1321 B10R1.15 CCN(c1ccccc1)N TS06110 [1,1,0,0,0,0|2,0,0]=4 1322 B10R1.15 CC[C@H](c1ccccc1)N TS46586 [1,1,0,0,0,0|1,0,0]=3 1323 B10R1.15 CC[C@H](c1ccccc1)O TS00311 [1,1,0,0,0,0|1,0,0]=3 1324 B10R1.15 CN(C=O)c1ccccc1 TS36925 [1,1,0,0,0,0|1,0,1]=4 1325 B10R1.15 CN(c1ccccc1)N=O TS06063 [1,1,0,0,0,0|2,0,0]=4 1326 B10R1.15 CNC(=O)c1ccccc1 TS01597 [1,1,0,0,0,0|1,0,1]=4 1327 B10R1.15 COC(=N)c1ccccc1 TS45386 [1,1,0,0,0,0|1,0,1]=4 1328 B10R1.15 COC(=O)c1ccccc1 TS00163 [1,1,0,0,0,0|1,0,1]=4 1329 B10R1.15 COS(=O)c1ccccc1 TS10693 [1,1,0,0,0,0|2,0,0]=4 1330 B10R1.15 C[C@@H](CN)c1ccccc1 TS08913 [1,1,0,0,0,0|0,0,0]=2 1331 B10R1.15 C[C@@H](CO)c1ccccc1 TS37012 [1,1,0,0,0,0|0,0,0]=2 1332 B10R1.15 C[C@@H](c1ccccc1)NC TS36939 [1,1,0,0,0,0|0,0,0]=2 1333 B10R1.15 C[C@@H](c1ccccc1)NO TS37112 [1,1,0,0,0,0|1,0,0]=3 1334 B10R1.15 C[C@H](CN)c1ccccc1 TS08921 [1,1,0,0,0,0|0,0,0]=2 1335 B10R1.15 C[C@H](CO)c1ccccc1 TS37011 [1,1,0,0,0,0|0,0,0]=2 1336 B10R1.15 C[C@H](C[NH-])c1ccccc1 TS40751 [1,1,0,0,0,0|0,0,0]=2 1337 B10R1.15 C[C@H](c1ccccc1)NC TS39981 [1,1,0,0,0,0|0,0,0]=2 1338 B10R1.15 C[C@H](c1ccccc1)NO TS06188 [1,1,0,0,0,0|1,0,0]=3 1339 B10R1.15 C[C@H](c1ccccc1)[N+]#[C-] TS05668 [1,1,0,0,0,0|0,0,1]=3 1340 B10R1.15 c1cc(cnc1)C(CN)O TS37204 [1,1,0,0,0,0|2,0,0]=4 1341 B10R1.15 c1cc(cnc1)[C@H](CCl)O TS10916 [1,1,0,0,0,0|2,0,0]=4 1342 B10R1.15 c1ccc(cc1)C(=O)CBr TS55148 [1,1,0,0,0,0|1,0,1]=4 1343 B10R1.15 c1ccc(cc1)C(=O)CCl TS10529 [1,1,0,0,0,0|1,0,1]=4 1344 B10R1.15 c1ccc(cc1)C(=O)CN TS47462 [1,1,0,0,0,0|1,0,1]=4 1345 B10R1.15 c1ccc(cc1)C(=O)CO TS55394 [1,1,0,0,0,0|1,0,1]=4 1346 B10R1.15 c1ccc(cc1)C(C#N)Br TS18169 [1,1,0,0,0,0|1,0,1]=4 1347 B10R1.15 c1ccc(cc1)C(C#N)N TS22755 [1,1,0,0,0,0|1,0,1]=4 1348 B10R1.15 c1ccc(cc1)C(CBr)Br TS29982 [1,1,0,0,0,0|1,0,0]=3 1349 B10R1.15 c1ccc(cc1)C(CBr)O TS08926 [1,1,0,0,0,0|1,0,0]=3 1350 B10R1.15 c1ccc(cc1)C(CN)Cl TS41559 [1,1,0,0,0,0|1,0,0]=3 1351 B10R1.15 c1ccc(cc1)C(CN)N TS37030 [1,1,0,0,0,0|1,0,0]=3 1352 B10R1.15 c1ccc(cc1)C(CN)O TS45701 [1,1,0,0,0,0|1,0,0]=3 1353 B10R1.15 c1ccc(cc1)C(CN)O TS93680 [1,1,0,0,0,0|1,0,0]=3 1354 B10R1.15 c1ccc(cc1)C(CO)N TS37105 [1,1,0,0,0,0|1,0,0]=3 1355 B10R1.15 c1ccc(cc1)C(CO)O TS06242 [1,1,0,0,0,0|1,0,0]=3 1356 B10R1.15 c1ccc(cc1)S(=O)CCl TS45878 [1,1,0,0,0,0|2,0,0]=4 1357 B10R1.15 c1ccc(cc1)[C@@H](CCl)O TS10799 [1,1,0,0,0,0|1,0,0]=3 1358 B10R1.15 c1ccc(cc1)[C@@H](CN)O TS64977 [1,1,0,0,0,0|1,0,0]=3 1359 B10R1.15 c1ccc(cc1)[C@@H](CO)N TS06187 [1,1,0,0,0,0|1,0,0]=3 1360 B10R1.15 c1ccc(cc1)[C@@H](CO)O TS08646 [1,1,0,0,0,0|1,0,0]=3 1361 B10R1.15 c1ccc(cc1)[C@H](C#N)O TS36753 [1,1,0,0,0,0|1,0,1]=4 1362 B10R1.15 c1ccc(cc1)[C@H](CCl)O TS41718 [1,1,0,0,0,0|1,0,0]=3 1363 B10R1.15 c1ccc(cc1)[C@H](CN)O TS08918 [1,1,0,0,0,0|1,0,0]=3 1364 B10R1.15 c1ccc(cc1)[C@H](CO)N TS00302 [1,1,0,0,0,0|1,0,0]=3 1365 B10R1.15 c1ccc(cc1)[C@H](CO)O TS59488 [1,1,0,0,0,0|1,0,0]=3 1366 B10R1.15 c1cnccc1C(CN)O TS43948 [1,1,0,0,0,0|2,0,0]=4 1367 B10R1.28 CC(C)(C)c1ccccc1 TS36860 [1,1,0,0,0,0|0,0,0]=2 1368 B10R1.28 CC(C)(C)c1ccccn1 TS06013 [1,1,0,0,0,0|1,0,0]=3 1369 B10R1.28 CC(C)(C)c1ccncc1 TS02251 [1,1,0,0,0,0|1,0,0]=3 1370 B10R1.28 CC(C)(C)c1cnccn1 TS37029 [1,1,0,0,0,0|2,0,0]=4 1371 B10R1.28 CC(C)(c1ccccc1)Cl TS55727 [1,1,0,0,0,0|0,0,0]=2 1372 B10R1.28 CC(C)(c1ccccc1)N TS01396 [1,1,0,0,0,0|0,0,0]=2 1373 B10R1.28 CC(C)(c1ccccc1)O TS37014 [1,1,0,0,0,0|0,0,0]=2 1374 B10R1.28 CC(C)(c1ccccc1)S TS41195 [1,1,0,0,0,0|0,0,0]=2 1375 B10R1.28 CC(C)(c1ccccn1)O TS37126 [1,1,0,0,0,0|1,0,0]=3 1376 B10R1.28 CC(C)(c1cccnc1)N TS06108 [1,1,0,0,0,0|1,0,0]=3 1377 B10R1.28 CC(C)(c1ccncc1)O TS37127 [1,1,0,0,0,0|1,0,0]=3 1378 B10R1.28 CP(=O)(c1ccccc1)O TS10652 [1,1,0,0,0,0|2,0,0]=4 1379 B10R1.28 CS(=N)(=O)c1ccccc1 TS10592 [1,1,0,0,0,0|2,0,0]=4 1380 B10R1.28 CS(=N)(=O)c1ccccc1 TS10595 [1,1,0,0,0,0|2,0,0]=4 1381 B10R1.28 CS(=O)(=O)c1ccccc1 TS10691 [1,1,0,0,0,0|2,0,0]=4 1382 B10R1.28 C[Ge](C)(C)c1ccccc1 TS17979 [1,1,0,0,0,0|0,1,0]=3 1383 B10R1.28 C[Ge](C)(c1ccccc1)Cl TS44679 [1,1,0,0,0,0|0,1,0]=3 1384 B10R1.28 C[N+](C)(C)c1ccccc1 TS13087 [1,1,0,0,0,0|1,0,0]=3 1385 B10R1.28 C[N+](C)(C)c1ccccc1 TS21988 [1,1,0,0,0,0|1,0,0]=3 1386 B10R1.28 C[N+](C)(C)c1ccccc1 TS27630 [1,1,0,0,0,0|1,0,0]=3 1387 B10R1.28 C[N+](C)(C)c1ccccc1 TS41300 [1,1,0,0,0,0|1,0,0]=3 1388 B10R1.28 C[Si](C)(C)c1ccccc1 TS40935 [1,1,0,0,0,0|0,1,0]=3 1389 B10R1.28 C[Si](C)(C)c1ccccn1 TS39243 [1,1,0,0,0,0|1,1,0]=4 1390 B10R1.28 C[Si](C)(c1ccccc1)Cl TS12944 [1,1,0,0,0,0|0,1,0]=3 1391 B10R1.28 C[Si](C)(c1ccccc1)F TS41455 [1,1,0,0,0,0|0,1,0]=3 1392 B10R1.28 C[Sn](C)(C)c1ccccc1 TS57483 [1,1,0,0,0,0|1,0,0]=3 1393 B10R1.28 C[Sn](C)(C)c1ccccn1 TS57632 [1,1,0,0,0,0|2,0,0]=4 1394 B10R1.28 C[Sn](C)(C)c1ccncc1 TS57631 [1,1,0,0,0,0|2,0,0]=4 1395 B10R1.28 c1ccc(cc1)C(Cl)(Cl)Cl TS52078 [1,1,0,0,0,0|2,0,0]=4 1396 B10R1.28 c1ccc(cc1)C(F)(F)F TS40366 [1,1,0,0,0,0|2,0,0]=4 1397 B10R1.61 CC(=C)c1ccccc1N TS36780 [1,1,0,0,0,0|0,0,2]=4 1398 B10R1.61 CC(=O)c1ccccc1Br TS54149 [1,1,0,0,0,0|1,0,1]=4 1399 B10R1.61 CC(=O)c1ccccc1Cl TS39571 [1,1,0,0,0,0|1,0,1]=4 1400 B10R1.61 CC(=O)c1ccccc1F TS37171 [1,1,0,0,0,0|1,0,1]=4 1401 B10R1.61 CC(=O)c1ccccc1I TS62238 [1,1,0,0,0,0|1,0,1]=4 1402 B10R1.61 CC(=O)c1ccccc1O TS01063 [1,1,0,0,0,0|1,0,1]=4 1403 B10R1.61 CC(C)c1ccccc1Br TS46918 [1,1,0,0,0,0|0,0,0]=2 1404 B10R1.61 CC(C)c1ccccc1F TS06286 [1,1,0,0,0,0|0,0,0]=2 1405 B10R1.61 CC(C)c1ccccc1I TS27403 [1,1,0,0,0,0|0,0,0]=2 1406 B10R1.61 CC(C)c1ccccc1N TS06016 [1,1,0,0,0,0|0,0,0]=2 1407 B10R1.61 CC(C)c1ccccc1O TS06094 [1,1,0,0,0,0|0,0,0]=2 1408 B10R1.61 CC(C)c1ccccc1S TS41199 [1,1,0,0,0,0|0,0,0]=2 1409 B10R1.61 CC(C)c1ccccc1[Zn+] TS60954 [1,1,0,0,0,0|0,0,0]=2 1410 B10R1.61 CC(c1c(cccn1)F)O TS06577 [1,1,0,0,0,0|2,0,0]=4 1411 B10R1.61 CC(c1ccccc1Br)O TS38045 [1,1,0,0,0,0|1,0,0]=3 1412 B10R1.61 CC(c1ccccc1Cl)N TS10635 [1,1,0,0,0,0|1,0,0]=3 1413 B10R1.61 CC(c1ccccc1Cl)O TS41730 [1,1,0,0,0,0|1,0,0]=3 1414 B10R1.61 CC(c1ccccc1F)N TS37297 [1,1,0,0,0,0|1,0,0]=3 1415 B10R1.61 CC(c1ccccc1F)O TS08150 [1,1,0,0,0,0|1,0,0]=3 1416 B10R1.61 CC(c1cccnc1Br)N TS19152 [1,1,0,0,0,0|2,0,0]=4 1417 B10R1.61 CC(c1cccnc1N)O TS37203 [1,1,0,0,0,0|2,0,0]=4 1418 B10R1.61 CN(C)c1ccccc1Br TS37850 [1,1,0,0,0,0|1,0,0]=3 1419 B10R1.61 CN(C)c1ccccc1Cl TS10629 [1,1,0,0,0,0|1,0,0]=3 1420 B10R1.61 CN(C)c1ccccc1F TS37299 [1,1,0,0,0,0|1,0,0]=3 1421 B10R1.61 CN(C)c1ccncc1Br TS19155 [1,1,0,0,0,0|2,0,0]=4 1422 B10R1.61 CS(=O)c1ccccc1O TS41630 [1,1,0,0,0,0|2,0,0]=4 1423 B10R1.61 C[C@@H](c1ccccc1Br)O TS38041 [1,1,0,0,0,0|1,0,0]=3 1424 B10R1.61 C[C@@H](c1ccccc1Cl)O TS41717 [1,1,0,0,0,0|1,0,0]=3 1425 B10R1.61 C[C@@H](c1ccccc1F)N TS08101 [1,1,0,0,0,0|1,0,0]=3 1426 B10R1.61 C[C@@H](c1ccccc1F)O TS06459 [1,1,0,0,0,0|1,0,0]=3 1427 B10R1.61 C[C@H](c1ccccc1Cl)N TS51402 [1,1,0,0,0,0|1,0,0]=3 1428 B10R1.61 C[C@H](c1ccccc1Cl)O TS10795 [1,1,0,0,0,0|1,0,0]=3 1429 B10R1.61 C[C@H](c1ccccc1F)N TS08914 [1,1,0,0,0,0|1,0,0]=3 1430 B10R1.61 C[C@H](c1ccccc1F)O TS37366 [1,1,0,0,0,0|1,0,0]=3 1431 B10R1.61 Cc1ccccc1C(=C)C TS05768 [1,1,0,0,0,0|0,0,2]=4 1432 B10R1.61 Cc1ccccc1C(=O)C TS36852 [1,1,0,0,0,0|1,0,1]=4 1433 B10R1.61 Cc1ccccc1C(C)N TS36951 [1,1,0,0,0,0|1,0,0]=3 1434 B10R1.61 Cc1ccccc1C(C)O TS37021 [1,1,0,0,0,0|1,0,0]=3 1435 B10R1.61 Cc1ccccc1N(C)C TS06004 [1,1,0,0,0,0|1,0,0]=3 1436 B10R1.61 Cc1ccccc1[C@@H](C)N TS45398 [1,1,0,0,0,0|1,0,0]=3 1437 B10R1.61 Cc1ccccc1[C@H](C)N TS45395 [1,1,0,0,0,0|1,0,0]=3 1438 B10R1.61 c1ccc(c(c1)C(Cl)Cl)F TS47662 [1,1,0,0,0,0|2,0,0]=4 1439 B10R1.61 c1ccc(c(c1)C(F)F)Br TS59895 [1,1,0,0,0,0|2,0,0]=4 1440 B10R1.113 CC(=O)c1cccc(c1)Br TS09476 [1,1,0,0,0,0|1,0,1]=4 1441 B10R1.113 CC(=O)c1cccc(c1)Cl TS41457 [1,1,0,0,0,0|1,0,1]=4 1442 B10R1.113 CC(=O)c1cccc(c1)F TS39433 [1,1,0,0,0,0|1,0,1]=4 1443 B10R1.113 CC(=O)c1cccc(c1)I TS02811 [1,1,0,0,0,0|1,0,1]=4 1444 B10R1.113 CC(=O)c1cccc(c1)N TS36932 [1,1,0,0,0,0|1,0,1]=4 1445 B10R1.113 CC(=O)c1cccc(c1)O TS70618 [1,1,0,0,0,0|1,0,1]=4 1446 B10R1.113 CC(C)c1cccc(c1)Br TS54165 [1,1,0,0,0,0|0,0,0]=2 1447 B10R1.113 CC(C)c1cccc(c1)N TS36962 [1,1,0,0,0,0|0,0,0]=2 1448 B10R1.113 CC(C)c1cccc(c1)O TS06076 [1,1,0,0,0,0|0,0,0]=2 1449 B10R1.113 CC(C)c1cccc(n1)Cl TS55266 [1,1,0,0,0,0|1,0,0]=3 1450 B10R1.113 CC(C)c1cccc(n1)N TS01246 [1,1,0,0,0,0|1,0,0]=3 1451 B10R1.113 CC(c1cccc(c1)Br)N TS37847 [1,1,0,0,0,0|1,0,0]=3 1452 B10R1.113 CC(c1cccc(c1)Br)O TS38052 [1,1,0,0,0,0|1,0,0]=3 1453 B10R1.113 CC(c1cccc(c1)Cl)O TS41713 [1,1,0,0,0,0|1,0,0]=3 1454 B10R1.113 CC(c1cccc(c1)F)N TS37298 [1,1,0,0,0,0|1,0,0]=3 1455 B10R1.113 CC(c1cccc(c1)F)O TS37373 [1,1,0,0,0,0|1,0,0]=3 1456 B10R1.113 CC(c1cccc(c1)N)N TS37034 [1,1,0,0,0,0|1,0,0]=3 1457 B10R1.113 CC(c1cccc(c1)N)O TS37125 [1,1,0,0,0,0|1,0,0]=3 1458 B10R1.113 CN(C)c1cccc(c1)Br TS37848 [1,1,0,0,0,0|1,0,0]=3 1459 B10R1.113 CN(C)c1cccc(c1)Cl TS10632 [1,1,0,0,0,0|1,0,0]=3 1460 B10R1.113 CN(C)c1cccc(c1)N TS20698 [1,1,0,0,0,0|1,0,0]=3 1461 B10R1.113 CN(C)c1cccc(c1)O TS06190 [1,1,0,0,0,0|1,0,0]=3 1462 B10R1.113 CN(C)c1cccc(c1)S TS10347 [1,1,0,0,0,0|1,0,0]=3 1463 B10R1.113 C[C@@H](c1cccc(c1)Br)O TS38053 [1,1,0,0,0,0|1,0,0]=3 1464 B10R1.113 C[C@@H](c1cccc(c1)Cl)N TS08102 [1,1,0,0,0,0|1,0,0]=3 1465 B10R1.113 C[C@@H](c1cccc(c1)F)N TS08103 [1,1,0,0,0,0|1,0,0]=3 1466 B10R1.113 C[C@@H](c1cccc(c1)F)N TS13761 [1,1,0,0,0,0|1,0,0]=3 1467 B10R1.113 C[C@H](c1cccc(c1)Br)O TS38040 [1,1,0,0,0,0|1,0,0]=3 1468 B10R1.113 C[C@H](c1cccc(c1)Cl)N TS46592 [1,1,0,0,0,0|1,0,0]=3 1469 B10R1.113 C[C@H](c1cccc(c1)F)N TS46593 [1,1,0,0,0,0|1,0,0]=3 1470 B10R1.113 C[C@H](c1cccc(c1)N)N TS06099 [1,1,0,0,0,0|1,0,0]=3 1471 B10R1.113 Cc1cccc(c1)C(=O)C TS01793 [1,1,0,0,0,0|1,0,1]=4 1472 B10R1.113 Cc1cccc(c1)C(C)O TS37016 [1,1,0,0,0,0|1,0,0]=3 1473 B10R1.113 Cc1cccc(c1)N(C)C TS36944 [1,1,0,0,0,0|1,0,0]=3 1474 B10R1.113 Cc1cccc(c1)N(C)N TS37033 [1,1,0,0,0,0|2,0,0]=4 1475 B10R1.113 Cc1cccc(c1)[C@@H](C)N TS45396 [1,1,0,0,0,0|1,0,0]=3 1476 B10R1.113 Cc1cccc(c1)[C@H](C)N TS45397 [1,1,0,0,0,0|1,0,0]=3 1477 B10R1.113 Cc1cccc(n1)C(C)N TS06109 [1,1,0,0,0,0|2,0,0]=4 1478 B10R1.113 Cc1ccnc(c1)C(C)N TS37022 [1,1,0,0,0,0|2,0,0]=4 1479 B10R1.113 c1cc(cc(c1)Br)C(F)F TS59897 [1,1,0,0,0,0|2,0,0]=4 1480 B10R1.113 c1cc(cc(c1)Cl)C(Br)Br TS34768 [1,1,0,0,0,0|2,0,0]=4 1481 B10R1.113 c1cc(cc(c1)Cl)C(Cl)Cl TS52076 [1,1,0,0,0,0|2,0,0]=4 1482 B10R1.113 c1cc(cc(c1)F)C(Br)Br TS30471 [1,1,0,0,0,0|2,0,0]=4 1483 B10R1.113 c1cc(cc(c1)F)C(Cl)Cl TS47665 [1,1,0,0,0,0|2,0,0]=4 1484 B10R1.31 CC(C)c1cc(on1)CN TS46200 [0,1,0,0,1,0|2,0,0]=4 1485 B10R1.31 CC(C)c1nc(co1)CCl TS11192 [0,1,0,0,1,0|2,0,0]=4 1486 B10R1.31 CC(C)c1nc(co1)CN TS46201 [0,1,0,0,1,0|2,0,0]=4 1487 B10R1.31 CC(C)c1nc(cs1)CCl TS46023 [0,1,0,0,1,0|2,0,0]=4 1488 B10R1.55 Cc1cc[n+](o1)C(C)(C)C TS26422 [0,1,0,0,1,0|2,0,0]=4 1489 B10R1.55 Cc1ccc(s1)[Si](C)(C)C TS45215 [0,1,0,0,1,0|1,1,0]=4 1490 B10R1.55 Cc1nc(cs1)C(C)(C)C TS41537 [0,1,0,0,1,0|2,0,0]=4 1491 B10R1.58 Cc1c(sc(n1)C(C)C)C TS41540 [0,1,0,0,1,0|2,0,0]=4 1492 B10R1.59 Cc1cc(n(n1)C(C)C)N TS06387 [0,1,0,0,1,0|2,0,0]=4 1493 B12R1.4 CC(=O)Cc1ccc(cc1)OC TS03156 [0,1,0,0,0,1|1,0,1]=4 1494 B12R1.4 CC(=O)Nc1ccc(cc1)CCl TS48490 [0,1,0,0,0,1|1,0,1]=4 1495 B12R1.4 CC(=O)Nc1ccc(cc1)CN TS02940 [0,1,0,0,0,1|1,0,1]=4 1496 B12R1.4 CC(=O)Nc1ccc(cc1)CO TS42884 [0,1,0,0,0,1|1,0,1]=4 1497 B12R1.4 CC(=O)Nc1ccc(cc1)OC TS42885 [0,1,0,0,0,1|1,0,1]=4 1498 B12R1.4 CC(=O)Nc1ccc(cc1)SC TS48120 [0,1,0,0,0,1|1,0,1]=4 1499 B12R1.4 CC(=O)Oc1ccc(cc1)CCl TS48657 [0,1,0,0,0,1|1,0,1]=4 1500 B12R1.4 CC(C)Cc1ccc(cc1)C=O TS09724 [0,1,0,0,0,1|0,0,1]=3 1501 B12R1.4 CC(C)Nc1ccc(cc1)OC TS12073 [0,1,0,0,0,1|0,0,0]=2 1502 B12R1.4 CC(C)Oc1ccc(cc1)C=O TS09726 [0,1,0,0,0,1|0,0,1]=3 1503 B12R1.4 CC(C)Oc1ccc(cc1)NN TS19493 [0,1,0,0,0,1|1,0,0]=3 1504 B12R1.4 CC(C)Oc1ccc(cn1)C#N TS11554 [0,1,0,0,0,1|1,0,1]=4 1505 B12R1.4 CC(C)Oc1ccc(cn1)C=O TS39351 [0,1,0,0,0,1|1,0,1]=4 1506 B12R1.4 CC(C)Oc1ccc(cn1)CO TS43237 [0,1,0,0,0,1|1,0,0]=3 1507 B12R1.4 CC(Cc1ccc(cc1)OC)N TS42953 [0,1,0,0,0,1|1,0,0]=3 1508 B12R1.4 CCc1ccc(cc1)CC(=O)C TS11597 [0,1,0,0,0,1|1,0,1]=4 1509 B12R1.4 CCc1ccc(cc1)OC(=O)C TS11867 [0,1,0,0,0,1|1,0,1]=4 1510 B12R1.4 C[C@H](Cc1ccc(cc1)OC)N TS12061 [0,1,0,0,0,1|1,0,0]=3 1511 B12R1.4 c1cc(ccc1CBr)OC(F)F TS56894 [0,1,0,0,0,1|2,0,0]=4 1512 B12R1.4 c1cc(ccc1CN)OC(F)F TS45594 [0,1,0,0,0,1|2,0,0]=4 1513 B12R1.4 c1cc(ccc1CO)OC(F)F TS45724 [0,1,0,0,0,1|2,0,0]=4 1514 B12R1.19 CC(C)Oc1ccc(c(c1)F)F TS13131 [0,1,0,0,0,1|1,0,0]=3 1515 B12R1.19 CC(C)Oc1ccc(c(c1)F)N TS38897 [0,1,0,0,0,1|1,0,0]=3 1516 B12R1.19 Cc1c(nc(cn1)CC(C)C)C TS11937 [0,1,0,0,0,1|2,0,0]=4 1517 B12R1.19 Cc1ccc(cc1C)NC(=O)C TS42600 [0,1,0,0,0,1|1,0,1]=4 1518 B12R1.19 Cc1ccc(cc1Cl)NC(=O)C TS48493 [0,1,0,0,0,1|1,0,1]=4 1519 B12R1.19 Cc1ccc(cc1N)NC(=O)C TS42769 [0,1,0,0,0,1|1,0,1]=4 1520 B12R1.20 CC(C(=O)c1ccc(cc1)Br)Br TS35454 [0,1,0,0,0,1|2,0,0]=4 1521 B12R1.20 CC(C(=O)c1ccc(cc1)Cl)Br TS09115 [0,1,0,0,0,1|2,0,0]=4 1522 B12R1.20 CC(C(=O)c1ccc(cc1)O)Br TS00838 [0,1,0,0,0,1|2,0,0]=4 1523 B12R1.20 CC(C(c1ccc(cc1)Cl)O)N TS65020 [0,1,0,0,0,1|2,0,0]=4 1524 B12R1.20 CC(C)C(=O)c1ccc(cc1)Cl TS48369 [0,1,0,0,0,1|1,0,0]=3 1525 B12R1.20 CC(C)C(=O)c1ccc(cc1)F TS08678 [0,1,0,0,0,1|1,0,0]=3 1526 B12R1.20 CN(C)C(=O)c1ccc(cc1)I TS33669 [0,1,0,0,0,1|2,0,0]=4 1527 B12R1.20 CN(C)C(=O)c1ccc(cc1)N TS03004 [0,1,0,0,0,1|2,0,0]=4 1528 B12R1.20 C[C@H]([C@H](c1ccc(cc1)O)O)N TS38510 [0,1,0,0,0,1|2,0,0]=4 1529 B12R1.49 CC(Cc1ccc(cc1)O)NC TS42944 [0,1,0,0,0,1|1,0,0]=3 1530 B12R1.49 CCC(=O)Sc1ccc(cc1)C TS14652 [0,1,0,0,0,1|1,0,1]=4 1531 B12R1.49 CCC(C)Oc1ccc(cc1)Cl TS48693 [0,1,0,0,0,1|1,0,0]=3 1532 B12R1.49 Cc1ccc(cc1)CC(=O)OC TS11880 [0,1,0,0,0,1|1,0,1]=4 1533 B12R1.49 Cc1ccc(cc1)NC(=O)CCl TS48483 [0,1,0,0,0,1|1,0,1]=4 1534 B12R1.49 Cc1ccc(cc1)SC(=O)CCl TS64957 [0,1,0,0,0,1|1,0,1]=4 1535 B12R1.49 c1cc(ccc1CC(CO)N)Cl TS15533 [0,1,0,0,0,1|2,0,0]=4 1536 B12R1.49 c1cc(ccc1C[C@@H](CO)N)Cl TS48808 [0,1,0,0,0,1|2,0,0]=4 1537 B12R1.49 c1cc(ccc1C[C@H](CO)N)Cl TS15530 [0,1,0,0,0,1|2,0,0]=4 1538 B12R1.49 c1cc(ccc1C[C@H](CO)N)O TS43238 [0,1,0,0,0,1|2,0,0]=4 1539 B12R1.106 CC(C)(C)Cc1ccc(cc1)O TS11922 [0,1,0,0,0,1|1,0,0]=3 1540 B12R1.106 CC(C)(C)Oc1ccc(cc1)Br TS24682 [0,1,0,0,0,1|1,0,0]=3 1541 B12R1.106 CC(C)(C)Oc1ccc(cc1)Cl TS48688 [0,1,0,0,0,1|1,0,0]=3 1542 B12R1.106 CC(C)(C)Sc1ccc(cc1)Br TS62135 [0,1,0,0,0,1|1,0,0]=3 1543 B12R1.106 CC(C)(Cc1ccc(cc1)Cl)O TS48689 [0,1,0,0,0,1|1,0,0]=3 1544 B12R1.106 CC(C)(Cc1ccc(cc1)F)N TS12409 [0,1,0,0,0,1|1,0,0]=3 1545 B12R1.106 CC(C)(Cc1ccc(cc1)F)O TS44882 [0,1,0,0,0,1|1,0,0]=3 1546 B12R1.106 C[Si](C)(C)Oc1ccc(cc1)Br TS27281 [0,1,0,0,0,1|1,1,0]=4 1547 B12R1.106 Cc1ccc(cc1)CC(C)(C)O TS40916 [0,1,0,0,0,1|0,0,0]=2 1548 B12R1.106 Cc1ccc(cc1)OC(F)(F)F TS32979 [0,1,0,0,0,1|2,0,0]=4 1549 B12R1.106 Cc1ccc(cc1)SC(F)(F)F TS51438 [0,1,0,0,0,1|2,0,0]=4 1550 B12R1.233 CC(C)Oc1c(cc(cn1)Br)I TS78569 [0,1,0,0,0,1|2,0,0]=4 1551 B12R1.233 CC(C)Oc1ccc(cc1Br)F TS25335 [0,1,0,0,0,1|1,0,0]=3 1552 B12R1.233 CC(C)Oc1ccc(cc1F)Br TS25336 [0,1,0,0,0,1|1,0,0]=3 1553 B12R1.233 Cc1ccc(c(c1)Br)NC(=O)C TS24456 [0,1,0,0,0,1|1,0,1]=4 1554 B12R1.233 Cc1ccc(c(c1)N)NC(=O)C TS11904 [0,1,0,0,0,1|1,0,1]=4 1555 B12R1.892 CC(C)c1ccc(c(=O)cc1)O TS42747 [0,1,0,0,0,1|1,0,0]=3 1556 B12R1.1021 CC(C)c1cccc(=O)c(c1)O TS39882 [0,1,0,0,0,1|1,0,0]=3 1557 B12R1.5 CCC(=O)c1ccc(cc1)OC TS11868 [0,2,0,0,0,0|1,0,1]=4 1558 B12R1.5 CCc1ccc(cc1)C(=O)CC TS42487 [0,2,0,0,0,0|1,0,1]=4 1559 B12R1.5 CCc1ccc(cc1)C(=O)OC TS11864 [0,2,0,0,0,0|1,0,1]=4 1560 B12R1.5 CCc1ccc(nc1)C(CO)O TS43250 [0,2,0,0,0,0|2,0,0]=4 1561 B12R1.5 CNc1ccc(cc1)C(=O)OC TS12013 [0,2,0,0,0,0|1,0,1]=4 1562 B12R1.5 COC(=O)c1ccc(cc1)CBr TS08583 [0,2,0,0,0,0|1,0,1]=4 1563 B12R1.5 COC(=O)c1ccc(cc1)CCl TS08584 [0,2,0,0,0,0|1,0,1]=4 1564 B12R1.5 COC(=O)c1ccc(cc1)CN TS38169 [0,2,0,0,0,0|1,0,1]=4 1565 B12R1.5 COC(=O)c1ccc(cc1)CO TS65237 [0,2,0,0,0,0|1,0,1]=4 1566 B12R1.5 COc1ccc(cc1)C(=O)CBr TS08327 [0,2,0,0,0,0|1,0,1]=4 1567 B12R1.5 COc1ccc(cc1)C(=O)CCl TS03154 [0,2,0,0,0,0|1,0,1]=4 1568 B12R1.5 COc1ccc(cc1)C(=O)CO TS12163 [0,2,0,0,0,0|1,0,1]=4 1569 B12R1.5 COc1ccc(cc1)C(=O)OC TS43036 [0,2,0,0,0,0|1,0,1]=4 1570 B12R1.5 COc1ccc(cc1)C(=S)SC TS18706 [0,2,0,0,0,0|1,0,1]=4 1571 B12R1.5 COc1ccc(cc1)C(CN)O TS38509 [0,2,0,0,0,0|1,0,0]=3 1572 B12R1.5 COc1ccc(cc1)[C@H](C#N)O TS42565 [0,2,0,0,0,0|1,0,1]=4 1573 B12R1.5 COc1ccc(cc1)[C@H](CCl)O TS49006 [0,2,0,0,0,0|1,0,0]=3 1574 B12R1.6 CC(C)(C)c1ccc(cc1)C#C TS41951 [0,2,0,0,0,0|0,0,1]=3 1575 B12R1.6 CC(C)(C)c1ccc(cc1)C#N TS42074 [0,2,0,0,0,0|0,0,1]=3 1576 B12R1.6 CC(C)(C)c1ccc(cc1)C=C TS42217 [0,2,0,0,0,0|0,0,1]=3 1577 B12R1.6 CC(C)(C)c1ccc(cc1)C=O TS33175 [0,2,0,0,0,0|0,0,1]=3 1578 B12R1.6 CC(C)(C)c1ccc(cc1)CBr TS03195 [0,2,0,0,0,0|0,0,0]=2 1579 B12R1.6 CC(C)(C)c1ccc(cc1)CCl TS39516 [0,2,0,0,0,0|0,0,0]=2 1580 B12R1.6 CC(C)(C)c1ccc(cc1)CN TS16917 [0,2,0,0,0,0|0,0,0]=2 1581 B12R1.6 CC(C)(C)c1ccc(cc1)CO TS32977 [0,2,0,0,0,0|0,0,0]=2 1582 B12R1.6 CC(C)(C)c1ccc(cc1)CS TS47975 [0,2,0,0,0,0|0,0,0]=2 1583 B12R1.6 CC(C)(C)c1ccc(cc1)NN TS19130 [0,2,0,0,0,0|1,0,0]=3 1584 B12R1.6 CC(C)(C)c1ccc(cc1)[Mg]Br TS26094 [0,2,0,0,0,0|1,0,0]=3 1585 B12R1.6 CC(C)(C1=CCC(=CC1)OC)O TS12557 [0,2,0,0,0,0|0,0,2]=4 1586 B12R1.6 CCc1ccc(cc1)C(C)(C)C TS11627 [0,2,0,0,0,0|0,0,0]=2 1587 B12R1.6 CNc1ccc(cc1)C(F)(F)F TS45919 [0,2,0,0,0,0|2,0,0]=4 1588 B12R1.6 COc1ccc(cc1)C(F)(F)F TS07768 [0,2,0,0,0,0|2,0,0]=4 1589 B12R1.6 COc1ccc(cc1)[Si](C)(C)C TS47976 [0,2,0,0,0,0|0,1,0]=3 1590 B12R1.6 CS(=O)(=O)c1ccc(cc1)CBr TS46747 [0,2,0,0,0,0|2,0,0]=4 1591 B12R1.6 CS(=O)(=O)c1ccc(cc1)CCl TS38723 [0,2,0,0,0,0|2,0,0]=4 1592 B12R1.6 CS(=O)(=O)c1ccc(cc1)CN TS59519 [0,2,0,0,0,0|2,0,0]=4 1593 B12R1.6 CS(=O)(=O)c1ccc(cc1)CO TS15629 [0,2,0,0,0,0|2,0,0]=4 1594 B12R1.6 CSc1ccc(cc1)C(F)(F)F TS51439 [0,2,0,0,0,0|2,0,0]=4 1595 B12R1.6 C[Si](C)(C)c1ccc(cc1)CS TS18339 [0,2,0,0,0,0|0,1,0]=3 1596 B12R1.6 c1cc(ccc1CBr)C(F)(F)F TS71298 [0,2,0,0,0,0|2,0,0]=4 1597 B12R1.6 c1cc(ccc1CCl)C(F)(F)F TS07771 [0,2,0,0,0,0|2,0,0]=4 1598 B12R1.6 c1cc(ccc1CN)C(F)(F)F TS70794 [0,2,0,0,0,0|2,0,0]=4 1599 B12R1.6 c1cc(ccc1CO)C(F)(F)F TS07770 [0,2,0,0,0,0|2,0,0]=4 1600 B12R1.6 c1cc(ccc1CS)C(F)(F)F TS51441 [0,2,0,0,0,0|2,0,0]=4 1601 B12R1.48 CC(=O)c1ccc(c(c1)Br)OC TS60195 [0,2,0,0,0,0|1,0,1]=4 1602 B12R1.48 CC(=O)c1ccc(c(c1)Cl)OC TS15382 [0,2,0,0,0,0|1,0,1]=4 1603 B12R1.48 CC(=O)c1ccc(c(c1)F)OC TS65512 [0,2,0,0,0,0|1,0,1]=4 1604 B12R1.48 CC(=O)c1ccc(c(c1)I)OC TS31071 [0,2,0,0,0,0|1,0,1]=4 1605 B12R1.48 CC(=O)c1ccc(c(c1)O)OC TS12200 [0,2,0,0,0,0|1,0,1]=4 1606 B12R1.48 CC(c1ccc(c(c1)F)OC)N TS45010 [0,2,0,0,0,0|1,0,0]=3 1607 B12R1.48 CN(C)c1ccc(c(c1)Cl)C=O TS48494 [0,2,0,0,0,0|1,0,1]=4 1608 B12R1.48 CN(C)c1ccc(c(c1)O)C=O TS42903 [0,2,0,0,0,0|1,0,1]=4 1609 B12R1.48 CN(C)c1ccc(c(c1)O)N=O TS38358 [0,2,0,0,0,0|2,0,0]=4 1610 B12R1.48 C[C@@H](c1ccc(c(c1)F)OC)N TS45009 [0,2,0,0,0,0|1,0,0]=3 1611 B12R1.48 Cc1cc(ccc1C=O)N(C)C TS42599 [0,2,0,0,0,0|1,0,1]=4 1612 B12R1.113 CC(=O)c1ccc(cc1)CCBr TS39570 [0,2,0,0,0,0|1,0,1]=4 1613 B12R1.113 CC(=O)c1ccc(cc1)CCCl TS15067 [0,2,0,0,0,0|1,0,1]=4 1614 B12R1.113 CC(=O)c1ccc(cc1)OCF TS44847 [0,2,0,0,0,0|1,0,1]=4 1615 B12R1.113 CC(C)c1ccc(cc1)CC#N TS42076 [0,2,0,0,0,0|0,0,0]=2 1616 B12R1.113 CC(C)c1ccc(cc1)CC=O TS11592 [0,2,0,0,0,0|0,0,0]=2 1617 B12R1.113 CC(C)c1ccc(cc1)N=C=O TS09733 [0,2,0,0,0,0|0,0,1]=3 1618 B12R1.113 CC(C)c1ccc(cc1)N=C=S TS14089 [0,2,0,0,0,0|0,0,1]=3 1619 B12R1.113 CCCc1ccc(cc1)C(=O)C TS11598 [0,2,0,0,0,0|1,0,1]=4 1620 B12R1.113 CCOc1ccc(cc1)C(=O)C TS42745 [0,2,0,0,0,0|1,0,1]=4 1621 B12R1.113 CCOc1ccc(cc1)C(=O)C TS92946 [0,2,0,0,0,0|1,0,1]=4 1622 B12R1.113 CCOc1ccc(cc1)[C@@H](C)N TS42940 [0,2,0,0,0,0|1,0,0]=3 1623 B12R1.113 CN(C)c1ccc(cc1)CCN TS11939 [0,2,0,0,0,0|1,0,0]=3 1624 B12R1.113 CN(C)c1ccc(cc1)N=C=O TS42460 [0,2,0,0,0,0|1,0,1]=4 1625 B12R1.113 CN(C)c1ccc(cc1)N=C=S TS14268 [0,2,0,0,0,0|1,0,1]=4 1626 B12R1.113 CN(C)c1ccc(cc1)SC#N TS14266 [0,2,0,0,0,0|1,0,1]=4 1627 B12R1.256 B(c1ccc(cc1)C(C)C)(O)O TS09732 [0,2,0,0,0,0|1,0,0]=3 1628 B12R1.256 CC(=C)c1ccc(cc1)C(=C)C TS41961 [0,2,0,0,0,0|0,0,2]=4 1629 B12R1.256 CC(=O)c1ccc(cc1)C(=O)C TS42446 [0,2,0,0,0,0|1,0,1]=4 1630 B12R1.256 CC(=O)c1ccc(cc1)N(C)C TS33161 [0,2,0,0,0,0|1,0,0]=3 1631 B12R1.256 CC(C)c1ccc(cc1)C(=O)C TS39755 [0,2,0,0,0,0|0,0,0]=2 1632 B12R1.256 CC(C)c1ccc(cc1)C(=O)O TS39756 [0,2,0,0,0,0|0,0,1]=3 1633 B12R1.256 CC(C)c1ccc(cc1)C(C)C TS11626 [0,2,0,0,0,0|0,0,0]=2 1634 B12R1.256 CC(C)c1ccc(cc1)[N+](=O)[O-] TS12015 [0,2,0,0,0,0|1,0,0]=3 1635 B12R1.256 CC(C)c1ccc(cn1)[N+](=O)[O-] TS86344 [0,2,0,0,0,0|2,0,0]=4 1636 B12R1.256 CC(c1ccc(cc1)C(=O)O)Br TS52782 [0,2,0,0,0,0|1,0,1]=4 1637 B12R1.256 CC(c1ccc(cc1)[N+](=O)[O-])O TS43217 [0,2,0,0,0,0|2,0,0]=4 1638 B12R1.256 CN(C)c1ccc(cc1)C(=N)N TS37815 [0,2,0,0,0,0|1,0,1]=4 1639 B12R1.256 CN(C)c1ccc(cc1)C(=O)Cl TS22700 [0,2,0,0,0,0|1,0,1]=4 1640 B12R1.256 CN(C)c1ccc(cc1)C(=O)Cl TS48491 [0,2,0,0,0,0|1,0,1]=4 1641 B12R1.256 CN(C)c1ccc(cc1)N(=O)=O TS12230 [0,2,0,0,0,0|2,0,0]=4 1642 B12R1.256 CN(C)c1ccc(cc1)N(C)C TS08610 [0,2,0,0,0,0|1,0,0]=3 1643 B12R1.256 CN(C)c1ccc(cc1)N(C)C TS11934 [0,2,0,0,0,0|1,0,0]=3 1644 B12R1.256 C[C@@H](c1ccc(cc1)C(C)C)N TS42631 [0,2,0,0,0,0|0,0,0]=2 1645 B12R1.256 C[C@@H](c1ccc(cc1)N(C)C)N TS11938 [0,2,0,0,0,0|1,0,0]=3 1646 B12R1.256 C[C@@H](c1ccc(cc1)[N+](=O)[O-])N TS94518 [0,2,0,0,0,0|2,0,0]=4 1647 B12R1.256 C[C@H](c1ccc(cc1)C(C)C)N TS11760 [0,2,0,0,0,0|0,0,0]=2 1648 B12R1.256 C[C@H](c1ccc(cc1)N(C)C)N TS11932 [0,2,0,0,0,0|1,0,0]=3 1649 B12R1.256 C[C@H](c1ccc(cc1)[N+](=O)[O-])N TS08915 [0,2,0,0,0,0|2,0,0]=4 1650 B12R1.256 C[C@H](c1ccc(cc1)[N+](=O)[O-])N TS22967 [0,2,0,0,0,0|2,0,0]=4 1651 B12R1.256 C[SiH](C)c1ccc(cc1)[SiH](C)C TS17953 [0,2,0,0,0,0|0,1,0]=3 1652 B12R1.256 c1cc(ccc1C(Br)Br)C(Br)Br TS81721 [0,2,0,0,0,0|2,0,0]=4 1653 B12R1.256 c1cc(ccc1C(F)F)C(F)F TS14136 [0,2,0,0,0,0|2,0,0]=4 1654 B12R1.452 CC(=O)c1ccc(cc1F)OC TS55332 [0,2,0,0,0,0|1,0,1]=4 1655 B12R1.452 CC(=O)c1ccc(cc1N)OC TS60260 [0,2,0,0,0,0|1,0,1]=4 1656 B12R1.452 CC(=O)c1ccc(cc1O)OC TS55390 [0,2,0,0,0,0|1,0,1]=4 1657 B12R1.452 CC(C)c1ccc(cc1F)OC TS86089 [0,2,0,0,0,0|0,0,0]=2 1658 B12R1.9 CC(C)(C#N)c1ccc(cc1)Br TS23776 [0,2,0,0,0,0|1,0,0]=3 1659 B12R1.9 CC(C)(C#N)c1ccc(cc1)N TS39615 [0,2,0,0,0,0|1,0,0]=3 1660 B12R1.9 CC(C)(CO)c1ccc(cc1)Cl TS48691 [0,2,0,0,0,0|1,0,0]=3 1661 B12R1.9 CCC(C)(C)c1ccc(cc1)N TS11751 [0,2,0,0,0,0|1,0,0]=3 1662 B12R1.9 CCC(C)(C)c1ccc(cc1)O TS42798 [0,2,0,0,0,0|1,0,0]=3 1663 B12R1.9 C[Si](C)(CCl)c1ccc(cc1)Cl TS49569 [0,2,0,0,0,0|1,1,0]=4 1664 B12R1.9 Cc1ccc(cc1)S(=O)(=O)CCl TS38716 [0,2,0,0,0,0|2,0,0]=4 1665 B12R1.9 Cc1ccc(cc1)S(=O)(=O)OC TS15626 [0,2,0,0,0,0|2,0,0]=4 1666 B12R1.9 Cc1ccc(cc1)S(=O)(=O)SC TS38318 [0,2,0,0,0,0|2,0,0]=4 1667 B12R1.9 c1cc(ccc1C(CBr)(F)F)Br TS74568 [0,2,0,0,0,0|2,0,0]=4 1668 B12R1.23 CC(C)(C)c1ccc(c(c1)Br)Br TS65272 [0,2,0,0,0,0|1,0,0]=3 1669 B12R1.23 CC(C)(C)c1ccc(c(c1)Br)N TS52603 [0,2,0,0,0,0|1,0,0]=3 1670 B12R1.23 CC(C)(C)c1ccc(c(c1)Br)O TS52803 [0,2,0,0,0,0|1,0,0]=3 1671 B12R1.23 CC(C)(C)c1ccc(c(c1)Cl)O TS48685 [0,2,0,0,0,0|1,0,0]=3 1672 B12R1.23 CC(C)(C)c1ccc(c(c1)I)N TS30994 [0,2,0,0,0,0|1,0,0]=3 1673 B12R1.23 CC(C)(C)c1ccc(c(c1)N)N TS11945 [0,2,0,0,0,0|1,0,0]=3 1674 B12R1.23 CC(C)(C)c1ccc(c(c1)N)O TS42955 [0,2,0,0,0,0|1,0,0]=3 1675 B12R1.23 CC(C)(C)c1ccc(c(c1)O)O TS43109 [0,2,0,0,0,0|1,0,0]=3 1676 B12R1.23 Cc1cc(ccc1O)C(C)(C)C TS42800 [0,2,0,0,0,0|1,0,0]=3 1677 B12R1.23 Cc1ccc(cc1Br)C(F)(F)F TS57184 [0,2,0,0,0,0|2,0,0]=4 1678 B12R1.23 Cc1ccc(cc1Cl)S(=O)(=O)C TS38719 [0,2,0,0,0,0|2,0,0]=4 1679 B12R1.23 Cc1ccc(cc1N)C(F)(F)F TS02209 [0,2,0,0,0,0|2,0,0]=4 1680 B12R1.23 Cc1ccc(cc1O)C(C)(C)C TS42788 [0,2,0,0,0,0|0,0,0]=2 1681 B12R1.126 Cc1ccc(c(c1)Cl)C(F)(F)F TS55234 [0,2,0,0,0,0|2,0,0]=4 1682 B12R1.126 Cc1ccc(c(c1)N)C(F)(F)F TS13636 [0,2,0,0,0,0|2,0,0]=4 1683 B12R1.126 Cc1ccc(c(c1)O)C(C)(C)C TS42793 [0,2,0,0,0,0|0,0,0]=2 1684 B12R1.56 CC(C)c1ccc(c(c1)C#N)N TS00763 [0,2,0,0,0,0|1,0,0]=3 1685 B12R1.56 CC(c1ccc(c(c1)OC)O)O TS44860 [0,2,0,0,0,0|2,0,0]=4 1686 B12R1.56 C[C@@H](c1ccc(c(c1)OC)F)N TS12686 [0,2,0,0,0,0|2,0,0]=4 1687 B12R1.232 CC1=CC(=O)C(=CC1=O)C(C)C TS11889 [0,2,0,0,0,0|0,0,0]=2 1688 B12R1.232 Cc1cc(c(cc1C)C(=O)C)C TS42483 [0,2,0,0,0,0|1,0,1]=4 1689 B12R1.232 Cc1cc(c(cc1C)O)C(=O)C TS11849 [0,2,0,0,0,0|1,0,1]=4 1690 B12R1.232 Cc1cc(c(cc1Cl)C(=O)C)O TS15377 [0,2,0,0,0,0|1,0,1]=4 1691 B12R1.232 Cc1cc(c(cc1Cl)C(C)C)O TS48690 [0,2,0,0,0,0|0,0,0]=2 1692 B12R1.232 Cc1cc(c(cc1N)C(C)C)O TS12068 [0,2,0,0,0,0|0,0,0]=2 1693 B12R1.232 Cc1cc(c(cc1N)C(C)C)O TS38182 [0,2,0,0,0,0|0,0,0]=2 1694 B12R1.232 Cc1cc(c(cc1O)C(C)C)Br TS24683 [0,2,0,0,0,0|0,0,0]=2 1695 B12R1.367 CCC(=O)c1ccc(c(c1)C)C TS11591 [0,2,0,0,0,0|1,0,1]=4 1696 B12R1.367 CCC(C)c1ccc(c(c1)O)N TS12077 [0,2,0,0,0,0|1,0,0]=3 1697 B12R1.367 Cc1ccc(cc1Br)C(=O)OC TS56265 [0,2,0,0,0,0|1,0,1]=4 1698 B12R1.367 Cc1ccc(cc1C)C(=O)OC TS11874 [0,2,0,0,0,0|1,0,1]=4 1699 B12R1.367 Cc1ccc(cc1Cl)C(=O)OC TS32935 [0,2,0,0,0,0|1,0,1]=4 1700 B12R1.367 Cc1ccc(cc1I)C(=O)OC TS31074 [0,2,0,0,0,0|1,0,1]=4 1701 B12R1.367 Cc1ccc(cc1N)C(=O)OC TS08571 [0,2,0,0,0,0|1,0,1]=4 1702 B12R1.367 Cc1ccc(cc1O)C(=O)OC TS70610 [0,2,0,0,0,0|1,0,1]=4 1703 B12R1.367 c1cc(c(cc1C(CCl)O)Cl)Cl TS24058 [0,2,0,0,0,0|2,0,0]=4 1704 B12R1.367 c1cc(c(cc1C(CN)O)O)O TS38882 [0,2,0,0,0,0|2,0,0]=4 1705 B12R1.367 c1cc(c(cc1C(CN)O)O)O TS45000 [0,2,0,0,0,0|2,0,0]=4 1706 B12R1.367 c1cc(c(cc1C(CO)Cl)Cl)Cl TS24059 [0,2,0,0,0,0|2,0,0]=4 1707 B12R1.367 c1cc(c(cc1[C@@H](CCl)O)Cl)Cl TS24056 [0,2,0,0,0,0|2,0,0]=4 1708 B12R1.367 c1cc(c(cc1[C@@H](CCl)O)F)F TS92962 [0,2,0,0,0,0|2,0,0]=4 1709 B12R1.367 c1cc(c(cc1[C@H](CN)O)O)O TS38881 [0,2,0,0,0,0|2,0,0]=4 1710 B12R1.893 Cc1ccc(c(c1F)F)C(=O)C TS45099 [0,2,0,0,0,0|1,0,1]=4 1711 B12R1.1005 CC(C)c1cc(c(c(c1)Br)N)Br TS58342 [0,2,0,0,0,0|1,0,0]=3 1712 B12R1.12 CCN(CC)c1ccc(cc1)Br TS52604 [0,2,0,0,0,0|2,0,0]=4 1713 B12R1.12 CCN(CC)c1ccc(cc1)C TS11754 [0,2,0,0,0,0|1,0,0]=3 1714 B12R1.12 CCN(CC)c1ccc(cc1)N TS11931 [0,2,0,0,0,0|2,0,0]=4 1715 B12R1.12 CCN(CC)c1ccc(cc1)N TS19129 [0,2,0,0,0,0|2,0,0]=4 1716 B12R1.12 CCN(CC)c1ccc(cc1)N TS26024 [0,2,0,0,0,0|2,0,0]=4 1717 B12R1.12 CCN(CC)c1ccc(cc1)N TS29804 [0,2,0,0,0,0|2,0,0]=4 1718 B12R1.12 COC(c1ccc(cc1)Br)OC TS25020 [0,2,0,0,0,0|1,0,0]=3 1719 B12R1.12 COC(c1ccc(cc1)Cl)OC TS15730 [0,2,0,0,0,0|1,0,0]=3 1720 B12R1.16 CC(c1ccc(cc1)F)N=C=S TS48098 [0,2,0,0,0,0|1,0,1]=4 1721 B12R1.16 CCOC(=N)c1ccc(cc1)C TS37814 [0,2,0,0,0,0|1,0,1]=4 1722 B12R1.16 CCOC(=O)c1ccc(cc1)C TS11853 [0,2,0,0,0,0|1,0,1]=4 1723 B12R1.16 CNCC(c1ccc(cc1)O)O TS38512 [0,2,0,0,0,0|2,0,0]=4 1724 B12R1.16 CNCC(c1ccc(cc1)O)O TS83006 [0,2,0,0,0,0|2,0,0]=4 1725 B12R1.16 CNC[C@@H](c1ccc(cc1)O)O TS43231 [0,2,0,0,0,0|2,0,0]=4 1726 B12R1.16 C[C@@H](c1ccc(cc1)Br)N=C=O TS24115 [0,2,0,0,0,0|1,0,1]=4 1727 B12R1.16 C[C@H](c1ccc(cc1)Br)N=C=O TS24108 [0,2,0,0,0,0|1,0,1]=4 1728 B12R1.16 Cc1ccc(cc1)C(=O)CC#N TS11129 [0,2,0,0,0,0|1,0,1]=4 1729 B12R1.16 Cc1ccc(cc1)C(=O)CCCl TS48365 [0,2,0,0,0,0|1,0,1]=4 1730 B12R1.16 Cc1ccc(cc1)C(CCO)N TS12059 [0,2,0,0,0,0|1,0,0]=3 1731 B12R1.16 Cc1ccc(cc1)N(C)CCO TS12071 [0,2,0,0,0,0|1,0,0]=3 1732 B12R1.16 Cc1ccc(cc1)[C@@H](CCO)N TS12072 [0,2,0,0,0,0|1,0,0]=3 1733 B12R1.16 c1cc(ccc1C(CCO)N)Br TS52948 [0,2,0,0,0,0|2,0,0]=4 1734 B12R1.16 c1cc(ccc1C(CCO)N)F TS59601 [0,2,0,0,0,0|2,0,0]=4 1735 B12R1.16 c1cc(ccc1[C@@H](CCO)N)F TS12687 [0,2,0,0,0,0|2,0,0]=4 1736 B12R1.16 c1cc(ccc1[C@H](CCI)O)F TS54302 [0,2,0,0,0,0|2,0,0]=4 1737 B12R1.1703 CCC(=O)c1ccc(cc1C)C TS11586 [0,2,0,0,0,0|1,0,1]=4 1738 B12R1.1703 Cc1ccc(c(c1)Br)C(=O)OC TS08554 [0,2,0,0,0,0|1,0,1]=4 1739 B12R1.1703 Cc1ccc(c(c1)C)C(=O)CBr TS52465 [0,2,0,0,0,0|1,0,1]=4 1740 B12R1.1703 Cc1ccc(c(c1)C)C(=O)OC TS42735 [0,2,0,0,0,0|1,0,1]=4 1741 B12R1.1703 Cc1ccc(c(c1)O)C(=O)OC TS16574 [0,2,0,0,0,0|1,0,1]=4 1742 B12R1.1703 c1cc(c(cc1Cl)Cl)[C@@H](CCl)O TS24057 [0,2,0,0,0,0|2,0,0]=4 1743 B12R1.57 Cc1ccc(c(c1)OC)C(C)C TS42786 [0,2,0,0,0,0|0,0,0]=2 1744 B12R1.1000 Cc1cc(c(c(c1)C)C(=O)C)C TS11596 [0,2,0,0,0,0|1,0,1]=4 1745 B12R1.1000 Cc1cc(c(c(c1)C)N(C)C)C TS11743 [0,2,0,0,0,0|1,0,0]=3 1746 B12R1.1000 Cc1cc(c(c(c1)O)C(=O)C)O TS02200 [0,2,0,0,0,0|1,0,1]=4 1747 B12R1.1000 Cc1cc(cc(c1N(C)C)C)Br TS52605 [0,2,0,0,0,0|2,0,0]=4 1748 B10R2.6 c1ccc(cc1)C2CC2 TS32348 [1,0,0,1,0,0|0,0,0]=2 1749 B10R2.6 c1ccc(cc1)C2CO2 TS04809 [1,0,0,1,0,0|1,0,0]=3 1750 B10R2.6 c1ccc(cc1)[C@@H]2CO2 TS59486 [1,0,0,1,0,0|1,0,0]=3 1751 B10R2.6 c1ccc(cc1)[C@H]2CO2 TS59491 [1,0,0,1,0,0|1,0,0]=3 1752 B10R2.6 c1cnc(nc1)C2CC2 TS89415 [1,0,0,1,0,0|2,0,0]=4 1753 B10R2.320 c1ccc2c(c1)CC2=O TS55758 [1,0,0,1,0,0|1,0,1]=4 1754 B10R2.320 c1ccc2c(c1)CC2Br TS48022 [1,0,0,1,0,0|1,0,0]=3 1755 B10R2.14 Cn1cc(nc1)C2CC2 TS92403 [0,0,0,1,1,0|2,0,0]=4 1756 B12R2.606 Cc1ccc2c(c1)cc([nH]2)C TS47275 [0,0,0,1,0,1|0,0,2]=4 1757 B12R2.606 Cc1ccc2c(c1)cc(s2)C TS11615 [0,0,0,1,0,1|0,0,2]=4 1758 B12R2.606 Cc1ccc2c(c1)nc([nH]2)C TS40430 [0,0,0,1,0,1|1,0,1]=4 1759 B12R2.606 Cc1ccc2c(c1)nc([se]2)C TS43742 [0,0,0,1,0,1|1,0,1]=4 1760 B12R2.606 Cc1ccc2c(c1)nc(o2)C TS40520 [0,0,0,1,0,1|1,0,1]=4 1761 B12R2.606 Cc1ccc2c(c1)sc(n2)C TS11740 [0,0,0,1,0,1|1,0,1]=4 1762 B12R2.606 Cc1ccc2cc(sc2c1)C TS77504 [0,0,0,1,0,1|1,0,1]=4 1763 B12R2.606 c1cc2c(cc1Br)CC(C2)N TS71463 [0,0,0,1,0,1|2,0,0]=4 1764 B12R2.606 c1cc2c(cc1Br)CC(C2)O TS59904 [0,0,0,1,0,1|2,0,0]=4 1765 B12R2.9 COc1ccc(cc1)[C@@H]2CO2 TS40847 [0,1,0,1,0,0|1,0,0]=3 1766 B12R2.9 c1cc(ccc1CBr)C2CC2 TS43953 [0,1,0,1,0,0|0,0,0]=2 1767 B12R2.290 Cc1ccc(cc1)C2(CC2)N TS40560 [0,1,0,1,0,0|0,0,0]=2 1768 B12R2.290 c1cc(ccc1C2(CC2)N)Br TS44121 [0,1,0,1,0,0|1,0,0]=3 1769 B12R2.290 c1cc(ccc1C2(CC2)N)F TS10057 [0,1,0,1,0,0|1,0,0]=3 1770 B12R2.291 c1cc(c(cc1C2CO2)Cl)Cl TS50851 [0,1,0,1,0,0|2,0,0]=4 1771 B12R2.612 C[C@@H]1c2ccc(cc2CN1)Br TS93564 [0,1,0,1,0,0|1,0,0]=3 1772 B12R2.612 Cc1ccc2c(c1)CCC2=O TS55480 [0,1,0,1,0,0|1,0,1]=4 1773 B12R2.612 Cc1ccc2c(c1)COC2=O TS07420 [0,1,0,1,0,0|1,0,1]=4 1774 B12R2.612 Cc1ccc2c(noc2c1)C TS07343 [0,1,0,1,0,0|1,0,1]=4 1775 B8R1.1 CCC1=CCC(=C1)C TS04143 [1,0,0,0,1,0|0,0,1]=3 1776 B8R1.1 CC[n+]1ccn(c1)C TS13318 [1,0,0,0,1,0|2,0,0]=4 1777 B8R1.1 CC[n+]1ccn(c1)C TS26127 [1,0,0,0,1,0|2,0,0]=4 1778 B8R1.1 CC[n+]1ccn(c1)C TS50146 [1,0,0,0,1,0|2,0,0]=4 1779 B8R1.1 CC[n+]1ccn(c1)C TS53944 [1,0,0,0,1,0|2,0,0]=4 1780 B8R1.1 CC[n+]1ccn(c1)C TS68355 [1,0,0,0,1,0|2,0,0]=4 1781 B8R1.1 CC[n+]1ccn(c1)C TS93305 [1,0,0,0,1,0|2,0,0]=4 1782 B8R1.1 CC[n+]1ccn(c1)C TS93371 [1,0,0,0,1,0|2,0,0]=4 1783 B8R1.1 CC[n+]1ccn(c1)C TS93984 [1,0,0,0,1,0|2,0,0]=4 1784 B8R1.1 CC[n+]1ccn(c1)C TS93985 [1,0,0,0,1,0|2,0,0]=4 1785 B8R1.1 CCc1[nH]cc(n1)C TS04212 [1,0,0,0,1,0|2,0,0]=4 1786 B8R1.1 CCc1[nH]cc(n1)C TS45131 [1,0,0,0,1,0|2,0,0]=4 1787 B8R1.1 CCc1ccc(s1)C TS36173 [1,0,0,0,1,0|1,0,0]=3 1788 B8R1.1 CCc1nc(cs1)C TS36248 [1,0,0,0,1,0|2,0,0]=4 1789 B8R1.1 Cc1cc(oc1)CN TS89029 [1,0,0,0,1,0|2,0,0]=4 1790 B8R1.1 Cc1cc(sc1)CN TS36247 [1,0,0,0,1,0|2,0,0]=4 1791 B8R1.1 Cc1cc(sc1)CO TS05369 [1,0,0,0,1,0|2,0,0]=4 1792 B8R1.1 Cc1ccc(o1)CBr TS13614 [1,0,0,0,1,0|2,0,0]=4 1793 B8R1.1 Cc1ccc(o1)CN TS31873 [1,0,0,0,1,0|2,0,0]=4 1794 B8R1.1 Cc1ccc(o1)CO TS39784 [1,0,0,0,1,0|2,0,0]=4 1795 B8R1.1 Cc1ccc(s1)CN TS36252 [1,0,0,0,1,0|2,0,0]=4 1796 B8R1.7 CC(C)C1=CC=CC1 TS04141 [1,0,0,0,1,0|0,0,1]=3 1797 B8R1.7 CC(C)C1C=CC=C1 TS31786 [1,0,0,0,1,0|0,0,1]=3 1798 B8R1.7 CC(C)c1[nH]ccn1 TS04207 [1,0,0,0,1,0|2,0,0]=4 1799 B8R1.7 CC(C)c1cc[nH]n1 TS04205 [1,0,0,0,1,0|2,0,0]=4 1800 B8R1.7 CC(C)n1cccn1 TS04211 [1,0,0,0,1,0|2,0,0]=4 1801 B8R1.7 CC(C)n1ccnc1 TS04209 [1,0,0,0,1,0|2,0,0]=4 1802 B8R1.7 CC(c1ccco1)N TS04253 [1,0,0,0,1,0|2,0,0]=4 1803 B8R1.7 CC(c1ccco1)O TS31898 [1,0,0,0,1,0|2,0,0]=4 1804 B8R1.7 CC(c1ccoc1)N TS31874 [1,0,0,0,1,0|2,0,0]=4 1805 B8R1.7 CN(C)c1cccs1 TS36249 [1,0,0,0,1,0|2,0,0]=4 1806 B8R1.7 C[C@@H](c1cccs1)O TS05368 [1,0,0,0,1,0|2,0,0]=4 1807 B8R1.7 C[C@H](c1ccco1)O TS31904 [1,0,0,0,1,0|2,0,0]=4 1808 B8R1.7 C[C@H](c1cccs1)O TS08060 [1,0,0,0,1,0|2,0,0]=4 1809 B10R1.18 CC(=C)Cc1ccccc1 TS36701 [1,0,0,0,0,1|0,0,2]=4 1810 B10R1.18 CC(=Cc1ccccc1)C TS36699 [1,0,0,0,0,1|0,0,1]=3 1811 B10R1.18 CC(=O)Cc1ccccc1 TS36838 [1,0,0,0,0,1|1,0,1]=4 1812 B10R1.18 CC(=O)Nc1ccccc1 TS36935 [1,0,0,0,0,1|1,0,1]=4 1813 B10R1.18 CC(=O)Sc1ccccc1 TS41167 [1,0,0,0,0,1|1,0,1]=4 1814 B10R1.18 CC(=S)Nc1ccccc1 TS10093 [1,0,0,0,0,1|1,0,1]=4 1815 B10R1.18 CC(C)Cc1ccccc1 TS74509 [1,0,0,0,0,1|0,0,0]=2 1816 B10R1.18 CC(C)Cc1ccccn1 TS36960 [1,0,0,0,0,1|1,0,0]=3 1817 B10R1.18 CC(C)Cc1cccnc1 TS06005 [1,0,0,0,0,1|1,0,0]=3 1818 B10R1.18 CC(C)Cc1ccncc1 TS06006 [1,0,0,0,0,1|1,0,0]=3 1819 B10R1.18 CC(C)Cc1cnccn1 TS06100 [1,0,0,0,0,1|2,0,0]=4 1820 B10R1.18 CC(C)Nc1ccccc1 TS56404 [1,0,0,0,0,1|0,0,0]=2 1821 B10R1.18 CC(C)Nc1cccnc1 TS64905 [1,0,0,0,0,1|1,0,0]=3 1822 B10R1.18 CC(C)Nc1ccncc1 TS64906 [1,0,0,0,0,1|1,0,0]=3 1823 B10R1.18 CC(C)Sc1ccccc1 TS41201 [1,0,0,0,0,1|0,0,0]=2 1824 B10R1.18 CC(Cc1ccccc1)Br TS55076 [1,0,0,0,0,1|1,0,0]=3 1825 B10R1.18 CC(Cc1ccccc1)N TS06010 [1,0,0,0,0,1|1,0,0]=3 1826 B10R1.18 CC(Cc1ccccc1)O TS47018 [1,0,0,0,0,1|1,0,0]=3 1827 B10R1.18 CC(Cc1ccccn1)N TS46983 [1,0,0,0,0,1|2,0,0]=4 1828 B10R1.18 CC(Cc1cccnc1)N TS00050 [1,0,0,0,0,1|2,0,0]=4 1829 B10R1.18 CN(C)Cc1ccccc1 TS06009 [1,0,0,0,0,1|1,0,0]=3 1830 B10R1.18 CN(C)Cc1ccccc1 TS45394 [1,0,0,0,0,1|1,0,0]=3 1831 B10R1.18 CS(=O)Cc1ccccc1 TS10469 [1,0,0,0,0,1|2,0,0]=4 1832 B10R1.18 C[C@@H](Cc1ccccc1)N TS36940 [1,0,0,0,0,1|1,0,0]=3 1833 B10R1.18 C[C@@H](Cc1ccccc1)N TS66757 [1,0,0,0,0,1|1,0,0]=3 1834 B10R1.18 C[SiH](C)Cc1ccccc1 TS40934 [1,0,0,0,0,1|0,1,0]=3 1835 B10R1.18 c1ccc(cc1)OC(F)F TS06920 [1,0,0,0,0,1|2,0,0]=4 1836 B10R1.18 c1ccc(cc1)[SiH2]C(Cl)Cl TS17240 [1,0,0,0,0,1|2,0,0]=4 1837 B12R1.21 CC(C)CCc1ccc(cc1)O TS42796 [0,0,0,0,0,2|1,0,0]=3 1838 B12R1.21 CC(C)NCc1ccc(cc1)F TS12408 [0,0,0,0,0,2|1,0,0]=3 1839 B12R1.21 CN(C)CCc1ccc(cc1)N TS11929 [0,0,0,0,0,2|2,0,0]=4 1840 B12R1.21 CN(C)CCc1ccc(cc1)O TS12065 [0,0,0,0,0,2|2,0,0]=4 1841 B12R1.21 CN(C)CCc1ccc(cc1)O TS38185 [0,0,0,0,0,2|2,0,0]=4 1842 B12R1.21 CN(C)CCc1ccc(cc1)O TS70070 [0,0,0,0,0,2|2,0,0]=4 1843 B12R1.21 C[C@@H](CCc1ccc(cc1)O)N TS42954 [0,0,0,0,0,2|2,0,0]=4 1844 B12R1.21 C[C@H](CCc1ccc(cc1)O)O TS93838 [0,0,0,0,0,2|2,0,0]=4 1845 B12R1.21 Cc1ccc(cc1)COC(=O)C TS11893 [0,0,0,0,0,2|1,0,1]=4 1846 B12R1.21 Cc1ccc(cc1)N=CN(C)C TS42500 [0,0,0,0,0,2|1,0,0]=3 1847 B12R1.21 Cc1ccc(cc1)N=NN(C)C TS42609 [0,0,0,0,0,2|1,0,0]=3 1848 B12R1.21 Cc1ccc(cc1)OCC(C)O TS12268 [0,0,0,0,0,2|1,0,0]=3