0 B10R1.61 B(c1ccccc1Br)(O)O L18581 [0,0,0,0,0,0|3,0,1]=4 1 B10R1.61 B(c1ccccc1C)(O)O B23154 [0,0,0,0,0,0|3,0,1]=4 2 B10R1.61 B(c1ccccc1Cl)(O)O B23324 [0,0,0,0,0,0|3,0,1]=4 3 B10R1.61 B(c1ccccc1F)(O)O B23103 [0,0,0,0,0,0|3,0,1]=4 4 B10R1.61 B(c1ccccc1N)(O)O L18069 [0,0,0,0,0,0|3,0,1]=4 5 B10R1.61 B(c1ccccc1O)(O)O L19400 [0,0,0,0,0,0|2,0,1]=3 6 B10R1.61 CC(=O)c1ccccc1Br A11982 [0,0,0,0,0,0|2,0,0]=2 7 B10R1.61 CC(=O)c1ccccc1Cl A15232 [0,0,0,0,0,0|2,0,0]=2 8 B10R1.61 CC(=O)c1ccccc1F A15128 [0,0,0,0,0,0|2,0,0]=2 9 B10R1.61 CC(=O)c1ccccc1I B25345 [0,0,0,0,0,0|2,0,0]=2 10 B10R1.61 CC(=O)c1ccccc1N A10895 [0,0,0,0,0,0|2,0,0]=2 11 B10R1.61 CC(=O)c1ccccc1O A12550 [0,0,0,0,0,0|1,0,0]=1 12 B10R1.61 CC(C)c1ccccc1Br L00941 [0,0,0,0,0,0|3,0,1]=4 13 B10R1.61 CC(C)c1ccccc1I L01533 [0,0,0,0,0,0|3,0,1]=4 14 B10R1.61 CC(C)c1ccccc1N A14671 [0,0,0,0,0,0|3,0,1]=4 15 B10R1.61 CC(C)c1ccccc1O A12027 [0,0,0,0,0,0|2,0,1]=3 16 B10R1.61 CC(c1ccccc1Cl)O B24800 [0,0,0,0,0,0|2,0,2]=4 17 B10R1.61 CC(c1ccccc1F)O H31900 [0,0,0,0,0,0|2,0,2]=4 18 B10R1.61 CN(C)c1ccccc1Br B25564 [0,0,0,0,0,0|4,0,0]=4 19 B10R1.61 C[C@@H](c1ccccc1Cl)O H60935 [0,0,0,0,0,0|2,0,2]=4 20 B10R1.61 C[C@H](c1ccccc1Br)O H56003 [0,0,0,0,0,0|2,0,2]=4 21 B10R1.61 C[C@H](c1ccccc1Cl)O H60061 [0,0,0,0,0,0|2,0,2]=4 22 B10R1.61 Cc1c(nccn1)C(=O)C A15054 [0,0,0,0,0,0|4,0,0]=4 23 B10R1.61 Cc1ccccc1C(=C)C H26073 [0,0,0,0,0,0|3,0,0]=3 24 B10R1.61 Cc1ccccc1C(=O)C A11695 [0,0,0,0,0,0|2,0,0]=2 25 B10R1.61 Cc1ccccc1C(=O)Cl A10775 [0,0,0,0,0,0|2,0,0]=2 26 B10R1.61 Cc1ccccc1C(=O)O A13856 [0,0,0,0,0,0|2,0,0]=2 27 B10R1.61 Cc1ccccc1C(=S)N H51790 [0,0,0,0,0,0|1,1,0]=2 28 B10R1.61 Cc1ccccc1C(C)O L08065 [0,0,0,0,0,0|2,0,2]=4 29 B10R1.61 Cc1ccccc1[N+](=O)[O-] A13446 [0,0,0,0,0,0|3,0,0]=3 30 B10R1.61 Cc1cccnc1C(=S)N H51794 [0,0,0,0,0,0|2,1,0]=3 31 B10R1.61 Cc1ccncc1C(=O)C H33380 [0,0,0,0,0,0|3,0,0]=3 32 B10R1.61 Cc1ccncc1C(=O)O B22367 [0,0,0,0,0,0|3,0,0]=3 33 B10R1.61 Cc1ccncc1[N+](=O)[O-] H29144 [0,0,0,0,0,0|4,0,0]=4 34 B10R1.61 Cc1ccncc1[N+](=O)[O-] L07398 [0,0,0,0,0,0|4,0,0]=4 35 B10R1.61 c1cc(c(nc1)Br)C(=O)O H30239 [0,0,0,0,0,0|3,0,0]=3 36 B10R1.61 c1cc(c(nc1)Br)[N+](=O)[O-] L20019 [0,0,0,0,0,0|4,0,0]=4 37 B10R1.61 c1cc(c(nc1)C(=O)O)Br H64258 [0,0,0,0,0,0|3,0,0]=3 38 B10R1.61 c1cc(c(nc1)C(=O)O)Cl H26024 [0,0,0,0,0,0|3,0,0]=3 39 B10R1.61 c1cc(c(nc1)C(=O)O)F H61458 [0,0,0,0,0,0|3,0,0]=3 40 B10R1.61 c1cc(c(nc1)C(=O)O)N H64861 [0,0,0,0,0,0|3,0,0]=3 41 B10R1.61 c1cc(c(nc1)C(=O)O)O L07489 [0,0,0,0,0,0|2,0,0]=2 42 B10R1.61 c1cc(c(nc1)Cl)C(=O)Cl A11048 [0,0,0,0,0,0|3,0,0]=3 43 B10R1.61 c1cc(c(nc1)Cl)C(=O)N A12090 [0,0,0,0,0,0|2,0,0]=2 44 B10R1.61 c1cc(c(nc1)Cl)C(=O)O A17082 [0,0,0,0,0,0|3,0,0]=3 45 B10R1.61 c1cc(c(nc1)Cl)C(=S)N H52252 [0,0,0,0,0,0|2,1,0]=3 46 B10R1.61 c1cc(c(nc1)Cl)[N+](=O)[O-] A12161 [0,0,0,0,0,0|4,0,0]=4 47 B10R1.61 c1cc(c(nc1)F)C(=O)O L19442 [0,0,0,0,0,0|3,0,0]=3 48 B10R1.61 c1cc(c(nc1)F)[N+](=O)[O-] H61260 [0,0,0,0,0,0|4,0,0]=4 49 B10R1.61 c1cc(c(nc1)N)C(=O)N H66202 [0,0,0,0,0,0|2,0,0]=2 50 B10R1.61 c1cc(c(nc1)N)C(=O)O A11195 [0,0,0,0,0,0|3,0,0]=3 51 B10R1.61 c1cc(c(nc1)N)[N+](=O)[O-] A14368 [0,0,0,0,0,0|4,0,0]=4 52 B10R1.61 c1cc(c(nc1)O)C(=O)O A15986 [0,0,0,0,0,0|2,0,0]=2 53 B10R1.61 c1cc(c(nc1)O)[N+](=O)[O-] A17768 [0,0,0,0,0,0|3,0,0]=3 54 B10R1.61 c1cc(c(nc1)S)C(=O)O A14683 [0,0,0,0,0,0|2,1,0]=3 55 B10R1.61 c1cc(c(nc1)[N+](=O)[O-])Br L19523 [0,0,0,0,0,0|4,0,0]=4 56 B10R1.61 c1cc(c(nc1)[N+](=O)[O-])Cl L19863 [0,0,0,0,0,0|4,0,0]=4 57 B10R1.61 c1cc(c(nc1)[N+](=O)[O-])F H33813 [0,0,0,0,0,0|4,0,0]=4 58 B10R1.61 c1cc(c(nc1)[N+](=O)[O-])N L19619 [0,0,0,0,0,0|4,0,0]=4 59 B10R1.61 c1cc(c(nc1)[N+](=O)[O-])O A14887 [0,0,0,0,0,0|3,0,0]=3 60 B10R1.61 c1ccc(c(c1)C(=O)Cl)Br A14520 [0,0,0,0,0,0|2,0,0]=2 61 B10R1.61 c1ccc(c(c1)C(=O)Cl)Cl A14785 [0,0,0,0,0,0|2,0,0]=2 62 B10R1.61 c1ccc(c(c1)C(=O)Cl)F A16096 [0,0,0,0,0,0|2,0,0]=2 63 B10R1.61 c1ccc(c(c1)C(=O)Cl)I A13558 [0,0,0,0,0,0|2,0,0]=2 64 B10R1.61 c1ccc(c(c1)C(=O)N)Br A18331 [0,0,0,0,0,0|1,0,0]=1 65 B10R1.61 c1ccc(c(c1)C(=O)N)Cl A15706 [0,0,0,0,0,0|1,0,0]=1 66 B10R1.61 c1ccc(c(c1)C(=O)N)F L07870 [0,0,0,0,0,0|1,0,0]=1 67 B10R1.61 c1ccc(c(c1)C(=O)N)N A14756 [0,0,0,0,0,0|1,0,0]=1 68 B10R1.61 c1ccc(c(c1)C(=O)N)O A10797 [0,0,0,0,0,0|0,0,0]=0 69 B10R1.61 c1ccc(c(c1)C(=O)O)Br A13608 [0,0,0,0,0,0|2,0,0]=2 70 B10R1.61 c1ccc(c(c1)C(=O)O)Cl A10832 [0,0,0,0,0,0|2,0,0]=2 71 B10R1.61 c1ccc(c(c1)C(=O)O)F A11015 [0,0,0,0,0,0|2,0,0]=2 72 B10R1.61 c1ccc(c(c1)C(=O)O)I A10563 [0,0,0,0,0,0|2,0,0]=2 73 B10R1.61 c1ccc(c(c1)C(=O)O)N A12715 [0,0,0,0,0,0|2,0,0]=2 74 B10R1.61 c1ccc(c(c1)C(=O)O)O 30782 [0,0,0,0,0,0|1,0,0]=1 75 B10R1.61 c1ccc(c(c1)C(=O)O)O A12253 [0,0,0,0,0,0|1,0,0]=1 76 B10R1.61 c1ccc(c(c1)C(=O)O)S A13401 [0,0,0,0,0,0|1,1,0]=2 77 B10R1.61 c1ccc(c(c1)C(=O)[O-])O 18585 [0,0,0,0,0,0|1,0,0]=1 78 B10R1.61 c1ccc(c(c1)C(=O)[O-])O 39356 [0,0,0,0,0,0|1,0,0]=1 79 B10R1.61 c1ccc(c(c1)C(=O)[O-])O 39379 [0,0,0,0,0,0|1,0,0]=1 80 B10R1.61 c1ccc(c(c1)C(=O)[O-])O A17056 [0,0,0,0,0,0|1,0,0]=1 81 B10R1.61 c1ccc(c(c1)C(=S)N)Br H55238 [0,0,0,0,0,0|1,1,0]=2 82 B10R1.61 c1ccc(c(c1)C(=S)N)Cl L11180 [0,0,0,0,0,0|1,1,0]=2 83 B10R1.61 c1ccc(c(c1)C(=S)N)N H51809 [0,0,0,0,0,0|1,1,0]=2 84 B10R1.61 c1ccc(c(c1)C(Cl)Cl)F L03984 [0,0,0,0,0,0|3,0,1]=4 85 B10R1.61 c1ccc(c(c1)C(F)F)F H33688 [0,0,0,0,0,0|3,0,1]=4 86 B10R1.61 c1ccc(c(c1)N)[N+](=O)[O-] A11055 [0,0,0,0,0,0|3,0,0]=3 87 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])Br A11686 [0,0,0,0,0,0|3,0,0]=3 88 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])Cl A15403 [0,0,0,0,0,0|3,0,0]=3 89 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])F A13852 [0,0,0,0,0,0|3,0,0]=3 90 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])I A12100 [0,0,0,0,0,0|3,0,0]=3 91 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])O A12333 [0,0,0,0,0,0|2,0,0]=2 92 B10R1.61 c1cnc(c(n1)C(=O)N)N H63553 [0,0,0,0,0,0|3,0,0]=3 93 B10R1.61 c1cnc(c(n1)C(=O)N)O H28250 [0,0,0,0,0,0|2,0,0]=2 94 B10R1.61 c1cnc(c(n1)C(=O)O)N B23707 [0,0,0,0,0,0|4,0,0]=4 95 B10R1.61 c1cncc(c1Br)C(=O)O H66322 [0,0,0,0,0,0|3,0,0]=3 96 B10R1.61 c1cncc(c1C(=O)O)Br H31047 [0,0,0,0,0,0|3,0,0]=3 97 B10R1.61 c1cncc(c1C(=O)O)Cl H63669 [0,0,0,0,0,0|3,0,0]=3 98 B10R1.61 c1cncc(c1C(=O)O)F L20042 [0,0,0,0,0,0|3,0,0]=3 99 B10R1.61 c1cncc(c1C(=O)O)N H28714 [0,0,0,0,0,0|3,0,0]=3 100 B10R1.61 c1cncc(c1C(=O)O)O H63465 [0,0,0,0,0,0|2,0,0]=2 101 B10R1.61 c1cncc(c1Cl)C(=O)O L20029 [0,0,0,0,0,0|3,0,0]=3 102 B10R1.61 c1cncc(c1Cl)[N+](=O)[O-] L19364 [0,0,0,0,0,0|4,0,0]=4 103 B10R1.61 c1cncc(c1Cl)[N+](=O)[O-] L19728 [0,0,0,0,0,0|4,0,0]=4 104 B10R1.61 c1cncc(c1N)C(=O)O H50032 [0,0,0,0,0,0|3,0,0]=3 105 B10R1.61 c1cncc(c1N)[N+](=O)[O-] L19725 [0,0,0,0,0,0|4,0,0]=4 106 B10R1.61 c1cncc(c1O)C(=O)O H32282 [0,0,0,0,0,0|2,0,0]=2 107 B10R1.61 c1cncc(c1O)[N+](=O)[O-] B20963 [0,0,0,0,0,0|3,0,0]=3 108 B9R1.6 B(c1ccccc1)(Cl)Cl 32583 [1,0,0,0,0,0|3,0,0]=4 109 B9R1.6 B(c1ccccc1)(O)O A14257 [1,0,0,0,0,0|2,0,1]=4 110 B9R1.6 B(c1ccccc1)(O)O L19459 [1,0,0,0,0,0|2,0,1]=4 111 B9R1.6 CC(=C)c1ccccc1 L03609 [1,0,0,0,0,0|2,0,0]=3 112 B9R1.6 CC(=O)c1ccccc1 A12727 [1,0,0,0,0,0|1,0,0]=2 113 B9R1.6 CC(=O)c1ccccn1 A12688 [1,0,0,0,0,0|2,0,0]=3 114 B9R1.6 CC(=O)c1cccnc1 A14246 [1,0,0,0,0,0|2,0,0]=3 115 B9R1.6 CC(=O)c1ccncc1 A12015 [1,0,0,0,0,0|2,0,0]=3 116 B9R1.6 CC(=O)c1ccnnc1 H66461 [1,0,0,0,0,0|3,0,0]=4 117 B9R1.6 CC(=O)c1cnccn1 A15917 [1,0,0,0,0,0|3,0,0]=4 118 B9R1.6 CC(C)c1ccccc1 A11864 [1,0,0,0,0,0|2,0,1]=4 119 B9R1.6 CC(c1ccccc1)Br A16839 [1,0,0,0,0,0|2,0,1]=4 120 B9R1.6 CC(c1ccccc1)N A15711 [1,0,0,0,0,0|1,0,1]=3 121 B9R1.6 CC(c1ccccc1)O A13837 [1,0,0,0,0,0|1,0,2]=4 122 B9R1.6 CC(c1ccccc1)S H26345 [1,0,0,0,0,0|1,1,1]=4 123 B9R1.6 CC(c1ccccc1)[Zn+] H58185 [1,0,0,0,0,0|2,0,1]=4 124 B9R1.6 CC(c1ccccn1)N H26046 [1,0,0,0,0,0|2,0,1]=4 125 B9R1.6 CC(c1cccnc1)N H26047 [1,0,0,0,0,0|2,0,1]=4 126 B9R1.6 CC(c1ccncc1)N H50303 [1,0,0,0,0,0|2,0,1]=4 127 B9R1.6 CN(C)c1ccccc1 A11916 [1,0,0,0,0,0|3,0,0]=4 128 B9R1.6 CN(c1ccccc1)N B22440 [1,0,0,0,0,0|2,0,0]=3 129 B9R1.6 CP(C)c1ccccc1 A17975 [1,0,0,0,0,0|3,0,0]=4 130 B9R1.6 CS(=O)c1ccccc1 A15009 [1,0,0,0,0,0|2,0,0]=3 131 B9R1.6 C[C@@H](c1ccccc1)N A12632 [1,0,0,0,0,0|1,0,1]=3 132 B9R1.6 C[C@@H](c1ccccc1)N L19118 [1,0,0,0,0,0|1,0,1]=3 133 B9R1.6 C[C@@H](c1ccccc1)O B21188 [1,0,0,0,0,0|1,0,2]=4 134 B9R1.6 C[C@H](c1ccccc1)N A10967 [1,0,0,0,0,0|1,0,1]=3 135 B9R1.6 C[C@H](c1ccccc1)N L19117 [1,0,0,0,0,0|1,0,1]=3 136 B9R1.6 C[C@H](c1ccccc1)O L19296 [1,0,0,0,0,0|1,0,2]=4 137 B9R1.6 C[SiH](C)c1ccccc1 L04558 [1,0,0,0,0,0|2,1,0]=4 138 B9R1.6 [2H]C(=O)c1ccccc1 H51103 [1,0,0,0,0,0|1,0,0]=2 139 B9R1.6 c1c(cncn1)C(=O)O H61406 [1,0,0,0,0,0|3,0,0]=4 140 B9R1.6 c1cc(cnc1)C(=N)N B20406 [1,0,0,0,0,0|2,0,0]=3 141 B9R1.6 c1cc(cnc1)C(=O)Cl A15317 [1,0,0,0,0,0|2,0,0]=3 142 B9R1.6 c1cc(cnc1)C(=O)N A15970 [1,0,0,0,0,0|1,0,0]=2 143 B9R1.6 c1cc(cnc1)C(=O)O A12683 [1,0,0,0,0,0|2,0,0]=3 144 B9R1.6 c1cc(cnc1)C(=O)[O-] B22224 [1,0,0,0,0,0|2,0,0]=3 145 B9R1.6 c1cc(cnc1)C(=S)N A11144 [1,0,0,0,0,0|1,1,0]=3 146 B9R1.6 c1cc(cnc1)[N+](=O)[O-] L19627 [1,0,0,0,0,0|3,0,0]=4 147 B9R1.6 c1cc(nnc1)C(=O)O H34341 [1,0,0,0,0,0|3,0,0]=4 148 B9R1.6 c1ccc(cc1)C(=N)N A16002 [1,0,0,0,0,0|1,0,0]=2 149 B9R1.6 c1ccc(cc1)C(=O)Cl A14107 [1,0,0,0,0,0|1,0,0]=2 150 B9R1.6 c1ccc(cc1)C(=O)Cl L19460 [1,0,0,0,0,0|1,0,0]=2 151 B9R1.6 c1ccc(cc1)C(=O)F L11464 [1,0,0,0,0,0|1,0,0]=2 152 B9R1.6 c1ccc(cc1)C(=O)N A10501 [1,0,0,0,0,0|0,0,0]=1 153 B9R1.6 c1ccc(cc1)C(=O)O 36230 [1,0,0,0,0,0|1,0,0]=2 154 B9R1.6 c1ccc(cc1)C(=O)O A14062 [1,0,0,0,0,0|1,0,0]=2 155 B9R1.6 c1ccc(cc1)C(=O)O H25864 [1,0,0,0,0,0|1,0,0]=2 156 B9R1.6 c1ccc(cc1)C(=O)O L19473 [1,0,0,0,0,0|1,0,0]=2 157 B9R1.6 c1ccc(cc1)C(=O)[O-] 11896 [1,0,0,0,0,0|1,0,0]=2 158 B9R1.6 c1ccc(cc1)C(=O)[O-] 30753 [1,0,0,0,0,0|1,0,0]=2 159 B9R1.6 c1ccc(cc1)C(=O)[O-] 87380 [1,0,0,0,0,0|1,0,0]=2 160 B9R1.6 c1ccc(cc1)C(=O)[O-] A11610 [1,0,0,0,0,0|1,0,0]=2 161 B9R1.6 c1ccc(cc1)C(=O)[O-] A12358 [1,0,0,0,0,0|1,0,0]=2 162 B9R1.6 c1ccc(cc1)C(=O)[O-] A15946 [1,0,0,0,0,0|1,0,0]=2 163 B9R1.6 c1ccc(cc1)C(=O)[O-] A16571 [1,0,0,0,0,0|1,0,0]=2 164 B9R1.6 c1ccc(cc1)C(=S)N A12973 [1,0,0,0,0,0|0,1,0]=2 165 B9R1.6 c1ccc(cc1)C(=S)O B24458 [1,0,0,0,0,0|1,0,1]=3 166 B9R1.6 c1ccc(cc1)C(=S)[O-] H61741 [1,0,0,0,0,0|1,0,1]=3 167 B9R1.6 c1ccc(cc1)P(=O)O A17453 [1,0,0,0,0,0|2,0,0]=3 168 B9R1.6 c1ccc(cc1)P(Cl)Cl A10284 [1,0,0,0,0,0|3,0,0]=4 169 B9R1.6 c1ccc(cc1)S(=O)[O-] A12118 [1,0,0,0,0,0|2,0,0]=3 170 B9R1.6 c1ccc(cc1)S(=O)[O-] A16614 [1,0,0,0,0,0|2,0,0]=3 171 B9R1.6 c1ccc(cc1)S(=O)[O-] B25576 [1,0,0,0,0,0|2,0,0]=3 172 B9R1.6 c1ccc(cc1)[N+](=O)[O-] A10585 [1,0,0,0,0,0|2,0,0]=3 173 B9R1.6 c1ccc(cc1)[SiH](Cl)Cl L04371 [1,0,0,0,0,0|2,1,0]=4 174 B9R1.6 c1ccnc(c1)C(=N)N A10942 [1,0,0,0,0,0|2,0,0]=3 175 B9R1.6 c1ccnc(c1)C(=O)N A15410 [1,0,0,0,0,0|1,0,0]=2 176 B9R1.6 c1ccnc(c1)C(=O)O A14749 [1,0,0,0,0,0|2,0,0]=3 177 B9R1.6 c1ccnc(c1)C(=S)N H51710 [1,0,0,0,0,0|1,1,0]=3 178 B9R1.6 c1ccnc(c1)[N+](=O)[O-] H33657 [1,0,0,0,0,0|3,0,0]=4 179 B9R1.6 c1cnc(cn1)C(=O)Cl H50418 [1,0,0,0,0,0|3,0,0]=4 180 B9R1.6 c1cnc(cn1)C(=O)O A13363 [1,0,0,0,0,0|3,0,0]=4 181 B9R1.6 c1cnc(cn1)C(=S)N H26750 [1,0,0,0,0,0|2,1,0]=4 182 B9R1.6 c1cnc(nc1)C(=O)O H54745 [1,0,0,0,0,0|3,0,0]=4 183 B9R1.6 c1cnc(nc1)C(=S)N H54783 [1,0,0,0,0,0|2,1,0]=4 184 B9R1.6 c1cnccc1C(=N)N A11050 [1,0,0,0,0,0|2,0,0]=3 185 B9R1.6 c1cnccc1C(=O)Cl A10863 [1,0,0,0,0,0|2,0,0]=3 186 B9R1.6 c1cnccc1C(=O)N A18190 [1,0,0,0,0,0|1,0,0]=2 187 B9R1.6 c1cnccc1C(=O)O A18109 [1,0,0,0,0,0|2,0,0]=3 188 B9R1.6 c1cnccc1C(=S)N B25265 [1,0,0,0,0,0|1,1,0]=3 189 B9R1.6 c1cncnc1C(=O)O H60022 [1,0,0,0,0,0|3,0,0]=4 190 B9R1.6 c1cnncc1C(=O)O H27246 [1,0,0,0,0,0|3,0,0]=4 191 B9R1.15 C#Cc1ccccc1Cl H53441 [1,0,0,0,0,0|2,0,1]=4 192 B9R1.15 C#Cc1ccccc1F H60596 [1,0,0,0,0,0|2,0,1]=4 193 B9R1.15 C=Cc1ccccc1Br B24181 [1,0,0,0,0,0|2,0,0]=3 194 B9R1.15 C=Cc1ccccc1Cl B21551 [1,0,0,0,0,0|2,0,0]=3 195 B9R1.15 C=Cc1ccccc1F A17425 [1,0,0,0,0,0|2,0,0]=3 196 B9R1.15 CCc1ccccc1Br B23449 [1,0,0,0,0,0|2,0,1]=4 197 B9R1.15 CCc1ccccc1C L02028 [1,0,0,0,0,0|2,0,1]=4 198 B9R1.15 CCc1ccccc1I A14509 [1,0,0,0,0,0|2,0,1]=4 199 B9R1.15 CCc1ccccc1N A14984 [1,0,0,0,0,0|2,0,1]=4 200 B9R1.15 CCc1ccccc1O L01637 [1,0,0,0,0,0|1,0,1]=3 201 B9R1.15 CCc1ccccc1S L11498 [1,0,0,0,0,0|1,1,1]=4 202 B9R1.15 CCc1ccccc1[Zn+] H58221 [1,0,0,0,0,0|2,0,1]=4 203 B9R1.15 CNc1ccccc1Br H55166 [1,0,0,0,0,0|3,0,0]=4 204 B9R1.15 CNc1ccccc1Cl A14343 [1,0,0,0,0,0|3,0,0]=4 205 B9R1.15 COc1ccccc1Br A11692 [1,0,0,0,0,0|3,0,0]=4 206 B9R1.15 COc1ccccc1Cl L06952 [1,0,0,0,0,0|3,0,0]=4 207 B9R1.15 COc1ccccc1F A12380 [1,0,0,0,0,0|3,0,0]=4 208 B9R1.15 COc1ccccc1I A10150 [1,0,0,0,0,0|3,0,0]=4 209 B9R1.15 COc1ccccc1N A10288 [1,0,0,0,0,0|3,0,0]=4 210 B9R1.15 COc1ccccc1O A16319 [1,0,0,0,0,0|2,0,0]=3 211 B9R1.15 COc1ccccc1S L09689 [1,0,0,0,0,0|2,1,0]=4 212 B9R1.15 COc1ccccc1[Mg+] H54579 [1,0,0,0,0,0|3,0,0]=4 213 B9R1.15 COc1ccccc1[Zn+] H58341 [1,0,0,0,0,0|3,0,0]=4 214 B9R1.15 CSc1ccccc1Br A13632 [1,0,0,0,0,0|3,0,0]=4 215 B9R1.15 CSc1ccccc1I A14051 [1,0,0,0,0,0|3,0,0]=4 216 B9R1.15 CSc1ccccc1N A12762 [1,0,0,0,0,0|3,0,0]=4 217 B9R1.15 CSc1ccccc1O L10128 [1,0,0,0,0,0|2,0,0]=3 218 B9R1.15 Cc1ccccc1C#N B22231 [1,0,0,0,0,0|1,0,2]=4 219 B9R1.15 Cc1ccccc1C=C A12676 [1,0,0,0,0,0|2,0,0]=3 220 B9R1.15 Cc1ccccc1C=O A10172 [1,0,0,0,0,0|1,0,0]=2 221 B9R1.15 Cc1ccccc1CBr B21717 [1,0,0,0,0,0|2,0,1]=4 222 B9R1.15 Cc1ccccc1CCl A13448 [1,0,0,0,0,0|2,0,1]=4 223 B9R1.15 Cc1ccccc1CN L05243 [1,0,0,0,0,0|1,0,1]=3 224 B9R1.15 Cc1ccccc1CO A12696 [1,0,0,0,0,0|1,0,2]=4 225 B9R1.15 Cc1ccccc1CS A15816 [1,0,0,0,0,0|1,1,1]=4 226 B9R1.15 Cc1ccccc1C[Mg+] H54170 [1,0,0,0,0,0|2,0,1]=4 227 B9R1.15 Cc1ccccc1NN A15767 [1,0,0,0,0,0|2,0,0]=3 228 B9R1.15 Cc1ccccc1OC A13897 [1,0,0,0,0,0|3,0,0]=4 229 B9R1.15 Cc1cccnc1C=O H56168 [1,0,0,0,0,0|2,0,0]=3 230 B9R1.15 c1c(c(ncn1)N)C=O H35706 [1,0,0,0,0,0|3,0,0]=4 231 B9R1.15 c1cc(c(nc1)C=O)F H61902 [1,0,0,0,0,0|2,0,0]=3 232 B9R1.15 c1cc(c(nc1)CBr)O L19525 [1,0,0,0,0,0|2,0,1]=4 233 B9R1.15 c1cc(c(nc1)Cl)C=O H53399 [1,0,0,0,0,0|2,0,0]=3 234 B9R1.15 c1cc(c(nc1)N)C=O L19620 [1,0,0,0,0,0|2,0,0]=3 235 B9R1.15 c1ccc(c(c1)C#N)Br A10679 [1,0,0,0,0,0|1,0,2]=4 236 B9R1.15 c1ccc(c(c1)C#N)Cl B20451 [1,0,0,0,0,0|1,0,2]=4 237 B9R1.15 c1ccc(c(c1)C#N)F A14375 [1,0,0,0,0,0|1,0,2]=4 238 B9R1.15 c1ccc(c(c1)C#N)N A12286 [1,0,0,0,0,0|1,0,2]=4 239 B9R1.15 c1ccc(c(c1)C#N)O A13606 [1,0,0,0,0,0|0,0,2]=3 240 B9R1.15 c1ccc(c(c1)C#N)[Zn+] H58272 [1,0,0,0,0,0|1,0,2]=4 241 B9R1.15 c1ccc(c(c1)C=O)Br A15065 [1,0,0,0,0,0|1,0,0]=2 242 B9R1.15 c1ccc(c(c1)C=O)Cl A13488 [1,0,0,0,0,0|1,0,0]=2 243 B9R1.15 c1ccc(c(c1)C=O)F A13800 [1,0,0,0,0,0|1,0,0]=2 244 B9R1.15 c1ccc(c(c1)C=O)I L17446 [1,0,0,0,0,0|1,0,0]=2 245 B9R1.15 c1ccc(c(c1)C=O)O A13833 [1,0,0,0,0,0|0,0,0]=1 246 B9R1.15 c1ccc(c(c1)CBr)Br A11285 [1,0,0,0,0,0|2,0,1]=4 247 B9R1.15 c1ccc(c(c1)CBr)Cl A12129 [1,0,0,0,0,0|2,0,1]=4 248 B9R1.15 c1ccc(c(c1)CBr)F A12692 [1,0,0,0,0,0|2,0,1]=4 249 B9R1.15 c1ccc(c(c1)CBr)I B21715 [1,0,0,0,0,0|2,0,1]=4 250 B9R1.15 c1ccc(c(c1)CCl)Br L11953 [1,0,0,0,0,0|2,0,1]=4 251 B9R1.15 c1ccc(c(c1)CCl)Cl A11900 [1,0,0,0,0,0|2,0,1]=4 252 B9R1.15 c1ccc(c(c1)CCl)F A11566 [1,0,0,0,0,0|2,0,1]=4 253 B9R1.15 c1ccc(c(c1)CN)Br A12412 [1,0,0,0,0,0|1,0,1]=3 254 B9R1.15 c1ccc(c(c1)CN)Br A18151 [1,0,0,0,0,0|1,0,1]=3 255 B9R1.15 c1ccc(c(c1)CN)Cl A15594 [1,0,0,0,0,0|1,0,1]=3 256 B9R1.15 c1ccc(c(c1)CN)F A15623 [1,0,0,0,0,0|1,0,1]=3 257 B9R1.15 c1ccc(c(c1)CO)Br A15700 [1,0,0,0,0,0|1,0,2]=4 258 B9R1.15 c1ccc(c(c1)CO)Cl A13657 [1,0,0,0,0,0|1,0,2]=4 259 B9R1.15 c1ccc(c(c1)CO)F A14791 [1,0,0,0,0,0|1,0,2]=4 260 B9R1.15 c1ccc(c(c1)CO)I L15126 [1,0,0,0,0,0|1,0,2]=4 261 B9R1.15 c1ccc(c(c1)CO)N A13180 [1,0,0,0,0,0|1,0,2]=4 262 B9R1.15 c1ccc(c(c1)CO)O A14410 [1,0,0,0,0,0|0,0,2]=3 263 B9R1.15 c1ccc(c(c1)CO)S L11536 [1,0,0,0,0,0|0,1,2]=4 264 B9R1.15 c1ccc(c(c1)CS)Br H26247 [1,0,0,0,0,0|1,1,1]=4 265 B9R1.15 c1ccc(c(c1)CS)Cl A15826 [1,0,0,0,0,0|1,1,1]=4 266 B9R1.15 c1ccc(c(c1)C[Mg+])Br H60066 [1,0,0,0,0,0|2,0,1]=4 267 B9R1.15 c1ccc(c(c1)C[Mg+])Cl H54820 [1,0,0,0,0,0|2,0,1]=4 268 B9R1.15 c1ccc(c(c1)C[Mg+])F H54881 [1,0,0,0,0,0|2,0,1]=4 269 B9R1.15 c1ccc(c(c1)C[Zn+])Br H58678 [1,0,0,0,0,0|2,0,1]=4 270 B9R1.15 c1ccc(c(c1)C[Zn+])F H58614 [1,0,0,0,0,0|2,0,1]=4 271 B9R1.15 c1ccc(c(c1)NN)Br B23966 [1,0,0,0,0,0|2,0,0]=3 272 B9R1.15 c1ccc(c(c1)NN)Cl A14136 [1,0,0,0,0,0|2,0,0]=3 273 B9R1.15 c1ccc(c(c1)NN)F A13716 [1,0,0,0,0,0|2,0,0]=3 274 B9R1.15 c1cncc(c1C=O)Cl H55852 [1,0,0,0,0,0|2,0,0]=3 275 B9R1.15 c1cncc(c1C=O)N H50024 [1,0,0,0,0,0|2,0,0]=3 276 B9R1.15 c1cncc(c1N)C=O H50028 [1,0,0,0,0,0|2,0,0]=3 277 B11R1.53 B(c1ccccc1CO)(O)O H52442 [0,1,0,0,0,0|2,0,1]=4 278 B11R1.53 B(c1ccccc1OC)(O)O B21071 [0,1,0,0,0,0|2,0,1]=4 279 B11R1.53 C=Cc1ccccc1C(=O)O H31723 [0,1,0,0,0,0|2,0,0]=3 280 B11R1.53 CC(=O)c1ccccc1OC A11929 [0,1,0,0,0,0|1,0,0]=2 281 B11R1.53 CC(C)c1ccccc1OC H53383 [0,1,0,0,0,0|2,0,1]=4 282 B11R1.53 CNc1ccccc1C(=O)O B20531 [0,1,0,0,0,0|2,0,0]=3 283 B11R1.53 CNc1ccccc1[N+](=O)[O-] A19538 [0,1,0,0,0,0|3,0,0]=4 284 B11R1.53 COc1c(cccn1)C(=O)O A13193 [0,1,0,0,0,0|2,0,0]=3 285 B11R1.53 COc1c(cccn1)[N+](=O)[O-] A18306 [0,1,0,0,0,0|3,0,0]=4 286 B11R1.53 COc1ccccc1C(=O)Cl B22784 [0,1,0,0,0,0|1,0,0]=2 287 B11R1.53 COc1ccccc1C(=O)N A12520 [0,1,0,0,0,0|0,0,0]=1 288 B11R1.53 COc1ccccc1C(=O)O A13513 [0,1,0,0,0,0|1,0,0]=2 289 B11R1.53 COc1ccccc1C(=S)N H32737 [0,1,0,0,0,0|0,1,0]=2 290 B11R1.53 COc1ccccc1[N+](=O)[O-] A19518 [0,1,0,0,0,0|2,0,0]=3 291 B11R1.53 COc1cccnc1[N+](=O)[O-] H33676 [0,1,0,0,0,0|3,0,0]=4 292 B11R1.53 COc1ccncc1[N+](=O)[O-] A15110 [0,1,0,0,0,0|3,0,0]=4 293 B11R1.53 COc1ccncc1[N+](=O)[O-] A18162 [0,1,0,0,0,0|3,0,0]=4 294 B11R1.53 CSc1c(cccn1)C(=O)Cl A17916 [0,1,0,0,0,0|2,1,0]=4 295 B11R1.53 CSc1c(cccn1)C(=O)O L09920 [0,1,0,0,0,0|2,1,0]=4 296 B11R1.53 CSc1ccccc1C(=O)O A10379 [0,1,0,0,0,0|1,1,0]=3 297 B11R1.53 C[C@@H](c1ccccc1OC)N H26948 [0,1,0,0,0,0|1,0,1]=3 298 B11R1.53 C[C@H](c1ccccc1OC)N H27669 [0,1,0,0,0,0|1,0,1]=3 299 B11R1.53 c1ccc(c(c1)C#N)C(=O)N B21596 [0,1,0,0,0,0|1,0,0]=2 300 B11R1.53 c1ccc(c(c1)C#N)C(=O)O H50237 [0,1,0,0,0,0|2,0,0]=3 301 B11R1.53 c1ccc(c(c1)C#N)[N+](=O)[O-] A10941 [0,1,0,0,0,0|3,0,0]=4 302 B11R1.53 c1ccc(c(c1)C(=O)O)I=O L15606 [0,1,0,0,0,0|1,0,1]=3 303 B11R1.53 c1ccc(c(c1)C(=O)O)NN L11015 [0,1,0,0,0,0|2,0,0]=3 304 B11R1.53 c1ccc(c(c1)C=O)C(=O)O A11201 [0,1,0,0,0,0|1,0,1]=3 305 B11R1.53 c1ccc(c(c1)C=O)[N+](=O)[O-] A11501 [0,1,0,0,0,0|2,0,1]=4 306 B11R1.53 c1ccc(c(c1)CBr)C(=O)O H28927 [0,1,0,0,0,0|2,0,0]=3 307 B11R1.53 c1ccc(c(c1)CBr)[N+](=O)[O-] A13127 [0,1,0,0,0,0|3,0,0]=4 308 B11R1.53 c1ccc(c(c1)CCl)[N+](=O)[O-] L13599 [0,1,0,0,0,0|3,0,0]=4 309 B11R1.53 c1ccc(c(c1)CN)[N+](=O)[O-] A18900 [0,1,0,0,0,0|3,0,0]=4 310 B11R1.53 c1ccc(c(c1)CO)[N+](=O)[O-] A15496 [0,1,0,0,0,0|2,0,0]=3 311 B11R1.53 c1ccc(c(c1)[N+](=O)[O-])SCl B23627 [0,1,0,0,0,0|2,1,0]=4 312 B11R1.87 CC(C)(C)c1ccccc1O L07294 [0,1,0,0,0,0|2,0,1]=4 313 B11R1.87 CC(C)(c1ccccc1N)N H35906 [0,1,0,0,0,0|2,0,1]=4 314 B11R1.87 Cc1ccccc1S(=O)(=O)Cl L18983 [0,1,0,0,0,0|3,0,0]=4 315 B11R1.87 Cc1ccccc1S(=O)(=O)N B20544 [0,1,0,0,0,0|2,0,0]=3 316 B11R1.87 c1ccc(c(c1)C(F)(F)F)O A14231 [0,1,0,0,0,0|2,0,1]=4 317 B11R1.87 c1ccc(c(c1)F)S(=O)(=O)Cl A14181 [0,1,0,0,0,0|3,0,0]=4 318 B11R1.87 c1ccc(c(c1)F)S(=O)(=O)N H61743 [0,1,0,0,0,0|2,0,0]=3 319 B11R1.87 c1ccc(c(c1)N)S(=O)(=O)N B21912 [0,1,0,0,0,0|2,0,0]=3 320 B11R1.87 c1ccc(c(c1)N)S(=O)(=O)O H31763 [0,1,0,0,0,0|3,0,0]=4 321 B11R1.87 c1ccc(c(c1)S(=O)(=O)Cl)Br A13645 [0,1,0,0,0,0|3,0,0]=4 322 B11R1.87 c1ccc(c(c1)S(=O)(=O)Cl)Cl A14054 [0,1,0,0,0,0|3,0,0]=4 323 B11R1.87 c1ccc(c(c1)S(=O)(=O)N)Br L17578 [0,1,0,0,0,0|2,0,0]=3 324 B11R1.87 c1ccc(c(c1)S(=O)(=O)N)Cl L09082 [0,1,0,0,0,0|2,0,0]=3 325 B11R1.87 c1cncc(c1Cl)S(=O)(=O)N L19493 [0,1,0,0,0,0|3,0,0]=4 326 B11R1.87 c1cncc(c1O)S(=O)(=O)O L20046 [0,1,0,0,0,0|3,0,0]=4 327 B11R1.156 CC(=O)c1c(cccc1Br)F H62361 [0,1,0,0,0,0|2,0,0]=3 328 B11R1.156 CC(=O)c1c(cccc1Cl)Cl L06348 [0,1,0,0,0,0|2,0,0]=3 329 B11R1.156 CC(=O)c1c(cccc1Cl)F B24067 [0,1,0,0,0,0|2,0,0]=3 330 B11R1.156 CC(=O)c1c(cccc1F)F A10220 [0,1,0,0,0,0|2,0,0]=3 331 B11R1.156 CC(=O)c1c(cccc1F)O H26130 [0,1,0,0,0,0|1,0,0]=2 332 B11R1.156 CC(=O)c1c(cccc1O)O A14627 [0,1,0,0,0,0|1,0,0]=2 333 B11R1.156 Cc1cccc(c1C(=O)N)Cl L18853 [0,1,0,0,0,0|1,0,0]=2 334 B11R1.156 Cc1cccc(c1C(=O)O)Br L20149 [0,1,0,0,0,0|2,0,0]=3 335 B11R1.156 Cc1cccc(c1C(=O)O)C A15014 [0,1,0,0,0,0|2,0,0]=3 336 B11R1.156 Cc1cccc(c1C(=O)O)Cl L18348 [0,1,0,0,0,0|2,0,0]=3 337 B11R1.156 Cc1cccc(c1C(=O)O)N A15187 [0,1,0,0,0,0|2,0,0]=3 338 B11R1.156 Cc1cccc(c1[N+](=O)[O-])C L05546 [0,1,0,0,0,0|3,0,0]=4 339 B11R1.156 Cc1cccc(c1[N+](=O)[O-])F H63574 [0,1,0,0,0,0|3,0,0]=4 340 B11R1.156 Cc1ccnc(c1[N+](=O)[O-])O H61586 [0,1,0,0,0,0|3,0,0]=4 341 B11R1.156 c1cc(c(c(c1)Br)C(=O)O)Cl H32269 [0,1,0,0,0,0|2,0,0]=3 342 B11R1.156 c1cc(c(c(c1)Br)C(=O)O)F H61251 [0,1,0,0,0,0|2,0,0]=3 343 B11R1.156 c1cc(c(c(c1)Br)C(=O)O)N H32106 [0,1,0,0,0,0|2,0,0]=3 344 B11R1.156 c1cc(c(c(c1)Br)[N+](=O)[O-])N H61169 [0,1,0,0,0,0|3,0,0]=4 345 B11R1.156 c1cc(c(c(c1)Cl)C(=O)Cl)Cl A14839 [0,1,0,0,0,0|2,0,0]=3 346 B11R1.156 c1cc(c(c(c1)Cl)C(=O)Cl)F B23762 [0,1,0,0,0,0|2,0,0]=3 347 B11R1.156 c1cc(c(c(c1)Cl)C(=O)N)Cl A10865 [0,1,0,0,0,0|1,0,0]=2 348 B11R1.156 c1cc(c(c(c1)Cl)C(=O)N)F B21294 [0,1,0,0,0,0|1,0,0]=2 349 B11R1.156 c1cc(c(c(c1)Cl)C(=O)O)Cl A10542 [0,1,0,0,0,0|2,0,0]=3 350 B11R1.156 c1cc(c(c(c1)Cl)C(=O)O)F A11250 [0,1,0,0,0,0|2,0,0]=3 351 B11R1.156 c1cc(c(c(c1)Cl)C(=O)O)N A10890 [0,1,0,0,0,0|2,0,0]=3 352 B11R1.156 c1cc(c(c(c1)Cl)C(=S)N)Cl H26636 [0,1,0,0,0,0|1,1,0]=3 353 B11R1.156 c1cc(c(c(c1)F)C(=O)Cl)F A11286 [0,1,0,0,0,0|2,0,0]=3 354 B11R1.156 c1cc(c(c(c1)F)C(=O)N)F A11685 [0,1,0,0,0,0|1,0,0]=2 355 B11R1.156 c1cc(c(c(c1)F)C(=O)O)F A14558 [0,1,0,0,0,0|2,0,0]=3 356 B11R1.156 c1cc(c(c(c1)F)C(=O)O)N A10919 [0,1,0,0,0,0|2,0,0]=3 357 B11R1.156 c1cc(c(c(c1)F)C(=O)O)O L10907 [0,1,0,0,0,0|1,0,0]=2 358 B11R1.156 c1cc(c(c(c1)F)[N+](=O)[O-])F H55694 [0,1,0,0,0,0|3,0,0]=4 359 B11R1.156 c1cc(c(c(c1)F)[N+](=O)[O-])N H61843 [0,1,0,0,0,0|3,0,0]=4 360 B11R1.156 c1cc(c(c(c1)F)[N+](=O)[O-])O H61670 [0,1,0,0,0,0|2,0,0]=3 361 B11R1.156 c1cc(c(c(c1)I)C(=O)O)F L07924 [0,1,0,0,0,0|2,0,0]=3 362 B11R1.156 c1cc(c(c(c1)O)C(=O)N)O L08424 [0,1,0,0,0,0|0,0,0]=1 363 B11R1.156 c1cc(c(c(c1)O)C(=O)O)O A14485 [0,1,0,0,0,0|1,0,0]=2 364 B11R1.156 c1cc(c(c(c1)O)[N+](=O)[O-])O A12970 [0,1,0,0,0,0|2,0,0]=3 365 B11R1.156 c1cnc(c(c1Cl)C(=O)O)Cl H58239 [0,1,0,0,0,0|3,0,0]=4 366 B11R1.156 c1cnc(c(c1I)C(=O)O)Cl H50049 [0,1,0,0,0,0|3,0,0]=4 367 B11R1.156 c1cnc(c(c1O)[N+](=O)[O-])O L14933 [0,1,0,0,0,0|3,0,0]=4 368 B11R1.159 CC(=O)c1cccc(c1Cl)Cl A12667 [0,1,0,0,0,0|2,0,0]=3 369 B11R1.159 CC(=O)c1cccc(c1F)Br H62708 [0,1,0,0,0,0|2,0,0]=3 370 B11R1.159 CC(=O)c1cccc(c1F)Cl H26474 [0,1,0,0,0,0|2,0,0]=3 371 B11R1.159 CC(=O)c1cccc(c1F)F A16786 [0,1,0,0,0,0|2,0,0]=3 372 B11R1.159 CC(=O)c1cccc(c1O)F H32854 [0,1,0,0,0,0|1,0,0]=2 373 B11R1.159 Cc1c(cccc1Br)C(=O)O H55436 [0,1,0,0,0,0|2,0,0]=3 374 B11R1.159 Cc1c(cccc1Br)[N+](=O)[O-] B21658 [0,1,0,0,0,0|3,0,0]=4 375 B11R1.159 Cc1c(cccc1Cl)C(=O)O L15773 [0,1,0,0,0,0|2,0,0]=3 376 B11R1.159 Cc1c(cccc1Cl)[N+](=O)[O-] B23675 [0,1,0,0,0,0|3,0,0]=4 377 B11R1.159 Cc1c(cccc1F)C(=O)C H32221 [0,1,0,0,0,0|2,0,0]=3 378 B11R1.159 Cc1c(cccc1F)C(=O)O H31887 [0,1,0,0,0,0|2,0,0]=3 379 B11R1.159 Cc1c(cccc1F)[N+](=O)[O-] L20093 [0,1,0,0,0,0|3,0,0]=4 380 B11R1.159 Cc1c(cccc1N)C(=O)O B24947 [0,1,0,0,0,0|2,0,0]=3 381 B11R1.159 Cc1c(cccc1O)C(=O)O L13743 [0,1,0,0,0,0|2,0,0]=3 382 B11R1.159 Cc1c(cccc1O)[N+](=O)[O-] A13002 [0,1,0,0,0,0|3,0,0]=4 383 B11R1.159 Cc1c(cccc1[N+](=O)[O-])N A10347 [0,1,0,0,0,0|3,0,0]=4 384 B11R1.159 Cc1cccc(c1Br)C(=O)O H32490 [0,1,0,0,0,0|2,0,0]=3 385 B11R1.159 Cc1cccc(c1C)C(=O)Cl H25873 [0,1,0,0,0,0|2,0,0]=3 386 B11R1.159 Cc1cccc(c1C)C(=O)N A13585 [0,1,0,0,0,0|1,0,0]=2 387 B11R1.159 Cc1cccc(c1C)C(=O)O A10383 [0,1,0,0,0,0|2,0,0]=3 388 B11R1.159 Cc1cccc(c1C)[N+](=O)[O-] B24917 [0,1,0,0,0,0|3,0,0]=4 389 B11R1.159 Cc1cccc(c1Cl)[N+](=O)[O-] H56130 [0,1,0,0,0,0|3,0,0]=4 390 B11R1.159 Cc1cccc(c1F)C(=O)O A12280 [0,1,0,0,0,0|2,0,0]=3 391 B11R1.159 Cc1cccc(c1F)[N+](=O)[O-] H63173 [0,1,0,0,0,0|3,0,0]=4 392 B11R1.159 Cc1cccc(c1I)C(=O)O L19876 [0,1,0,0,0,0|2,0,0]=3 393 B11R1.159 Cc1cccc(c1N)C(=O)O B24230 [0,1,0,0,0,0|2,0,0]=3 394 B11R1.159 Cc1cccc(c1N)[N+](=O)[O-] L01803 [0,1,0,0,0,0|3,0,0]=4 395 B11R1.159 Cc1cccc(c1O)C(=O)O L15825 [0,1,0,0,0,0|1,0,0]=2 396 B11R1.159 c1cc(c(c(c1)Br)F)C(=O)N H62619 [0,1,0,0,0,0|1,0,0]=2 397 B11R1.159 c1cc(c(c(c1)Br)F)C(=O)O H50235 [0,1,0,0,0,0|2,0,0]=3 398 B11R1.159 c1cc(c(c(c1)Br)N)C(=O)O H61925 [0,1,0,0,0,0|2,0,0]=3 399 B11R1.159 c1cc(c(c(c1)Br)O)[N+](=O)[O-] H27326 [0,1,0,0,0,0|2,0,0]=3 400 B11R1.159 c1cc(c(c(c1)Cl)Cl)C(=O)Cl L09506 [0,1,0,0,0,0|2,0,0]=3 401 B11R1.159 c1cc(c(c(c1)Cl)Cl)C(=O)N A17265 [0,1,0,0,0,0|1,0,0]=2 402 B11R1.159 c1cc(c(c(c1)Cl)Cl)C(=O)O A10522 [0,1,0,0,0,0|2,0,0]=3 403 B11R1.159 c1cc(c(c(c1)Cl)Cl)C(=S)N H26761 [0,1,0,0,0,0|1,1,0]=3 404 B11R1.159 c1cc(c(c(c1)Cl)Cl)[N+](=O)[O-] A15037 [0,1,0,0,0,0|3,0,0]=4 405 B11R1.159 c1cc(c(c(c1)Cl)F)C(=O)Cl B23849 [0,1,0,0,0,0|2,0,0]=3 406 B11R1.159 c1cc(c(c(c1)Cl)F)C(=O)N B24162 [0,1,0,0,0,0|1,0,0]=2 407 B11R1.159 c1cc(c(c(c1)Cl)F)C(=O)O B20603 [0,1,0,0,0,0|2,0,0]=3 408 B11R1.159 c1cc(c(c(c1)Cl)F)[N+](=O)[O-] H61989 [0,1,0,0,0,0|3,0,0]=4 409 B11R1.159 c1cc(c(c(c1)Cl)N)C(=O)O H66261 [0,1,0,0,0,0|2,0,0]=3 410 B11R1.159 c1cc(c(c(c1)Cl)O)[N+](=O)[O-] A17172 [0,1,0,0,0,0|2,0,0]=3 411 B11R1.159 c1cc(c(c(c1)F)Br)C(=O)O H26242 [0,1,0,0,0,0|2,0,0]=3 412 B11R1.159 c1cc(c(c(c1)F)Cl)C(=O)O H31761 [0,1,0,0,0,0|2,0,0]=3 413 B11R1.159 c1cc(c(c(c1)F)F)C(=O)Cl B20333 [0,1,0,0,0,0|2,0,0]=3 414 B11R1.159 c1cc(c(c(c1)F)F)C(=O)N B20542 [0,1,0,0,0,0|1,0,0]=2 415 B11R1.159 c1cc(c(c(c1)F)F)C(=O)O A16717 [0,1,0,0,0,0|2,0,0]=3 416 B11R1.159 c1cc(c(c(c1)F)O)C(=O)O H26163 [0,1,0,0,0,0|1,0,0]=2 417 B11R1.159 c1cc(c(c(c1)F)O)[N+](=O)[O-] L08851 [0,1,0,0,0,0|2,0,0]=3 418 B11R1.159 c1cc(c(c(c1)N)O)C(=O)O B22478 [0,1,0,0,0,0|1,0,0]=2 419 B11R1.159 c1cc(c(c(c1)O)N)[N+](=O)[O-] H27472 [0,1,0,0,0,0|3,0,0]=4 420 B11R1.159 c1cc(c(c(c1)O)O)C(=O)O A10144 [0,1,0,0,0,0|1,0,0]=2 421 B11R1.159 c1cc(c(c(c1)[N+](=O)[O-])N)N B20201 [0,1,0,0,0,0|3,0,0]=4 422 B11R1.159 c1cnc(c(c1C(=O)O)Br)Br H31708 [0,1,0,0,0,0|3,0,0]=4 423 B11R1.159 c1cnc(c(c1C(=O)O)Cl)Cl H63733 [0,1,0,0,0,0|3,0,0]=4 424 B11R1.159 c1cnc(c(c1C(=O)O)F)Br H64290 [0,1,0,0,0,0|3,0,0]=4 425 B11R1.159 c1cnc(c(c1C(=O)O)F)Cl L20024 [0,1,0,0,0,0|3,0,0]=4 426 B11R1.159 c1cnc(c(c1C(=O)O)F)F H33463 [0,1,0,0,0,0|3,0,0]=4 427 B11R1.166 B(c1ccc(cc1O)F)(O)O H53304 [0,1,0,0,0,0|2,0,1]=4 428 B11R1.166 CC(=O)c1ccc(cc1Br)Br H61181 [0,1,0,0,0,0|2,0,0]=3 429 B11R1.166 CC(=O)c1ccc(cc1Br)F L19320 [0,1,0,0,0,0|2,0,0]=3 430 B11R1.166 CC(=O)c1ccc(cc1Cl)Cl A14428 [0,1,0,0,0,0|2,0,0]=3 431 B11R1.166 CC(=O)c1ccc(cc1Cl)F L19880 [0,1,0,0,0,0|2,0,0]=3 432 B11R1.166 CC(=O)c1ccc(cc1F)Br H62127 [0,1,0,0,0,0|2,0,0]=3 433 B11R1.166 CC(=O)c1ccc(cc1F)F A13420 [0,1,0,0,0,0|2,0,0]=3 434 B11R1.166 CC(=O)c1ccc(cc1F)O A19884 [0,1,0,0,0,0|2,0,0]=3 435 B11R1.166 CC(=O)c1ccc(cc1O)Br H61137 [0,1,0,0,0,0|1,0,0]=2 436 B11R1.166 CC(=O)c1ccc(cc1O)Cl H27309 [0,1,0,0,0,0|1,0,0]=2 437 B11R1.166 CC(=O)c1ccc(cc1O)F A16030 [0,1,0,0,0,0|1,0,0]=2 438 B11R1.166 CC(=O)c1ccc(cc1O)O A12066 [0,1,0,0,0,0|1,0,0]=2 439 B11R1.166 Cc1cc(c(cn1)C(=O)O)O H66499 [0,1,0,0,0,0|2,0,0]=3 440 B11R1.166 Cc1cc(ccc1C(=O)C)F H26823 [0,1,0,0,0,0|2,0,0]=3 441 B11R1.166 Cc1cc(ccc1C(=O)O)Br L03071 [0,1,0,0,0,0|2,0,0]=3 442 B11R1.166 Cc1cc(ccc1C(=O)O)Cl H27262 [0,1,0,0,0,0|2,0,0]=3 443 B11R1.166 Cc1cc(ccc1C(=O)O)F H26801 [0,1,0,0,0,0|2,0,0]=3 444 B11R1.166 Cc1cc(ccc1C(=O)O)N H31657 [0,1,0,0,0,0|2,0,0]=3 445 B11R1.166 Cc1cc(ccc1C(=O)O)O H60810 [0,1,0,0,0,0|2,0,0]=3 446 B11R1.166 Cc1cc(ccc1C(=S)N)Br H55421 [0,1,0,0,0,0|1,1,0]=3 447 B11R1.166 Cc1cc(ccc1C(=S)N)F H33221 [0,1,0,0,0,0|1,1,0]=3 448 B11R1.166 Cc1cc(ccc1[N+](=O)[O-])Cl H53471 [0,1,0,0,0,0|3,0,0]=4 449 B11R1.166 Cc1cc(ccc1[N+](=O)[O-])F A13944 [0,1,0,0,0,0|3,0,0]=4 450 B11R1.166 Cc1cc(ccc1[N+](=O)[O-])N L13112 [0,1,0,0,0,0|3,0,0]=4 451 B11R1.166 Cc1cc(ccc1[N+](=O)[O-])O L03163 [0,1,0,0,0,0|3,0,0]=4 452 B11R1.166 Cc1cc(cnc1C(=O)O)Br H64220 [0,1,0,0,0,0|3,0,0]=4 453 B11R1.166 Cc1ccc(c(c1)Br)C(=O)O H60413 [0,1,0,0,0,0|2,0,0]=3 454 B11R1.166 Cc1ccc(c(c1)C)C(=O)C A12992 [0,1,0,0,0,0|2,0,0]=3 455 B11R1.166 Cc1ccc(c(c1)C)C(=O)Cl H50387 [0,1,0,0,0,0|2,0,0]=3 456 B11R1.166 Cc1ccc(c(c1)C)C(=O)O A10589 [0,1,0,0,0,0|2,0,0]=3 457 B11R1.166 Cc1ccc(c(c1)C)[N+](=O)[O-] A16776 [0,1,0,0,0,0|3,0,0]=4 458 B11R1.166 Cc1ccc(c(c1)F)C(=O)C H26695 [0,1,0,0,0,0|2,0,0]=3 459 B11R1.166 Cc1ccc(c(c1)F)C(=O)Cl H31292 [0,1,0,0,0,0|2,0,0]=3 460 B11R1.166 Cc1ccc(c(c1)F)C(=O)O H26688 [0,1,0,0,0,0|2,0,0]=3 461 B11R1.166 Cc1ccc(c(c1)F)[N+](=O)[O-] A10840 [0,1,0,0,0,0|3,0,0]=4 462 B11R1.166 Cc1ccc(c(c1)N)[N+](=O)[O-] L07852 [0,1,0,0,0,0|3,0,0]=4 463 B11R1.166 Cc1ccc(c(c1)O)C(=O)O L03367 [0,1,0,0,0,0|1,0,0]=2 464 B11R1.166 Cc1ccc(c(c1)O)C(C)C A14563 [0,1,0,0,0,0|2,0,1]=4 465 B11R1.166 Cc1ccc(c(c1)O)[N+](=O)[O-] A11729 [0,1,0,0,0,0|2,0,0]=3 466 B11R1.166 Cc1ccc(c(n1)Cl)C(=O)Cl H25878 [0,1,0,0,0,0|3,0,0]=4 467 B11R1.166 Cc1ccc(c(n1)Cl)C(=O)O A13857 [0,1,0,0,0,0|3,0,0]=4 468 B11R1.166 Cc1ccc(c(n1)O)C(=O)O A11842 [0,1,0,0,0,0|2,0,0]=3 469 B11R1.166 Cc1ccc(c(n1)O)C(=S)N H52239 [0,1,0,0,0,0|1,1,0]=3 470 B11R1.166 c1c(c(cnc1Cl)C(=O)O)Cl H61381 [0,1,0,0,0,0|3,0,0]=4 471 B11R1.166 c1c(cnc(c1Cl)C(=O)N)Cl H66981 [0,1,0,0,0,0|2,0,0]=3 472 B11R1.166 c1c(cnc(c1F)C(=O)N)F L20323 [0,1,0,0,0,0|2,0,0]=3 473 B11R1.166 c1c(cnc(c1F)C(=O)O)Br H64466 [0,1,0,0,0,0|3,0,0]=4 474 B11R1.166 c1c(cnc(c1F)C(=O)O)F L20324 [0,1,0,0,0,0|3,0,0]=4 475 B11R1.166 c1cc(c(cc1Br)Br)C(=O)O H32008 [0,1,0,0,0,0|2,0,0]=3 476 B11R1.166 c1cc(c(cc1Br)Br)[N+](=O)[O-] H61738 [0,1,0,0,0,0|3,0,0]=4 477 B11R1.166 c1cc(c(cc1Br)Cl)C(=O)O A11527 [0,1,0,0,0,0|2,0,0]=3 478 B11R1.166 c1cc(c(cc1Br)F)C(=O)Cl L20142 [0,1,0,0,0,0|2,0,0]=3 479 B11R1.166 c1cc(c(cc1Br)F)C(=O)N H52336 [0,1,0,0,0,0|1,0,0]=2 480 B11R1.166 c1cc(c(cc1Br)F)C(=O)O B20118 [0,1,0,0,0,0|2,0,0]=3 481 B11R1.166 c1cc(c(cc1Br)F)[N+](=O)[O-] H61807 [0,1,0,0,0,0|3,0,0]=4 482 B11R1.166 c1cc(c(cc1Br)N)C(=O)O H55829 [0,1,0,0,0,0|2,0,0]=3 483 B11R1.166 c1cc(c(cc1Br)O)[N+](=O)[O-] H64966 [0,1,0,0,0,0|2,0,0]=3 484 B11R1.166 c1cc(c(cc1Cl)Br)C(=O)O H59777 [0,1,0,0,0,0|2,0,0]=3 485 B11R1.166 c1cc(c(cc1Cl)Cl)C(=O)Cl B20815 [0,1,0,0,0,0|2,0,0]=3 486 B11R1.166 c1cc(c(cc1Cl)Cl)C(=O)N A15915 [0,1,0,0,0,0|1,0,0]=2 487 B11R1.166 c1cc(c(cc1Cl)Cl)C(=O)O A12372 [0,1,0,0,0,0|2,0,0]=3 488 B11R1.166 c1cc(c(cc1Cl)Cl)C(=S)N H26654 [0,1,0,0,0,0|1,1,0]=3 489 B11R1.166 c1cc(c(cc1Cl)Cl)[N+](=O)[O-] B23749 [0,1,0,0,0,0|3,0,0]=4 490 B11R1.166 c1cc(c(cc1Cl)F)C(=O)O B25277 [0,1,0,0,0,0|2,0,0]=3 491 B11R1.166 c1cc(c(cc1Cl)N)C(=O)O A10201 [0,1,0,0,0,0|2,0,0]=3 492 B11R1.166 c1cc(c(cc1Cl)N)C(=S)N H52249 [0,1,0,0,0,0|1,1,0]=3 493 B11R1.166 c1cc(c(cc1Cl)N)[N+](=O)[O-] A11241 [0,1,0,0,0,0|3,0,0]=4 494 B11R1.166 c1cc(c(cc1Cl)O)C(=O)O B22520 [0,1,0,0,0,0|1,0,0]=2 495 B11R1.166 c1cc(c(cc1F)Br)C(=O)N H62497 [0,1,0,0,0,0|1,0,0]=2 496 B11R1.166 c1cc(c(cc1F)Br)C(=O)O L19321 [0,1,0,0,0,0|2,0,0]=3 497 B11R1.166 c1cc(c(cc1F)Br)[N+](=O)[O-] H61466 [0,1,0,0,0,0|3,0,0]=4 498 B11R1.166 c1cc(c(cc1F)Cl)C(=O)Cl B23439 [0,1,0,0,0,0|2,0,0]=3 499 B11R1.166 c1cc(c(cc1F)Cl)C(=O)O A14953 [0,1,0,0,0,0|2,0,0]=3 500 B11R1.166 c1cc(c(cc1F)Cl)C(=S)N H32001 [0,1,0,0,0,0|1,1,0]=3 501 B11R1.166 c1cc(c(cc1F)Cl)[N+](=O)[O-] H32906 [0,1,0,0,0,0|3,0,0]=4 502 B11R1.166 c1cc(c(cc1F)F)C(=O)Cl A17920 [0,1,0,0,0,0|2,0,0]=3 503 B11R1.166 c1cc(c(cc1F)F)C(=O)N A10375 [0,1,0,0,0,0|1,0,0]=2 504 B11R1.166 c1cc(c(cc1F)F)C(=O)O A13403 [0,1,0,0,0,0|2,0,0]=3 505 B11R1.166 c1cc(c(cc1F)F)C(=S)N H26758 [0,1,0,0,0,0|1,1,0]=3 506 B11R1.166 c1cc(c(cc1F)F)[N+](=O)[O-] A13249 [0,1,0,0,0,0|3,0,0]=4 507 B11R1.166 c1cc(c(cc1F)I)C(=O)O H55531 [0,1,0,0,0,0|2,0,0]=3 508 B11R1.166 c1cc(c(cc1F)N)C(=O)O B21907 [0,1,0,0,0,0|2,0,0]=3 509 B11R1.166 c1cc(c(cc1F)N)[N+](=O)[O-] H61806 [0,1,0,0,0,0|3,0,0]=4 510 B11R1.166 c1cc(c(cc1F)O)C(=O)O B24992 [0,1,0,0,0,0|1,0,0]=2 511 B11R1.166 c1cc(c(cc1F)O)[N+](=O)[O-] A12568 [0,1,0,0,0,0|2,0,0]=3 512 B11R1.166 c1cc(c(cc1N)Cl)C(=O)O A10116 [0,1,0,0,0,0|2,0,0]=3 513 B11R1.166 c1cc(c(cc1N)Cl)C(=S)N H52142 [0,1,0,0,0,0|1,1,0]=3 514 B11R1.166 c1cc(c(cc1N)Cl)[N+](=O)[O-] H32581 [0,1,0,0,0,0|3,0,0]=4 515 B11R1.166 c1cc(c(cc1N)F)C(=O)O H26146 [0,1,0,0,0,0|2,0,0]=3 516 B11R1.166 c1cc(c(cc1N)F)[N+](=O)[O-] H28895 [0,1,0,0,0,0|3,0,0]=4 517 B11R1.166 c1cc(c(cc1N)N)[N+](=O)[O-] L12166 [0,1,0,0,0,0|3,0,0]=4 518 B11R1.166 c1cc(c(cc1N)O)C(=O)O B23289 [0,1,0,0,0,0|1,0,0]=2 519 B11R1.166 c1cc(c(cc1O)F)[N+](=O)[O-] A14350 [0,1,0,0,0,0|3,0,0]=4 520 B11R1.166 c1cc(c(cc1O)O)C(=O)O A13545 [0,1,0,0,0,0|1,0,0]=2 521 B11R1.166 c1cc(nc(c1C(=O)O)Cl)Cl L20002 [0,1,0,0,0,0|3,0,0]=4 522 B11R1.166 c1cc(nc(c1C(=O)O)F)Cl H66484 [0,1,0,0,0,0|3,0,0]=4 523 B11R1.167 B(c1cc(ccc1O)Br)(O)O H52937 [0,1,0,0,0,0|2,0,1]=4 524 B11R1.167 B(c1cc(ccc1O)Cl)(O)O H53075 [0,1,0,0,0,0|2,0,1]=4 525 B11R1.167 B(c1cc(ccc1O)F)(O)O H52716 [0,1,0,0,0,0|2,0,1]=4 526 B11R1.167 CC(=O)c1cc(ccc1Br)F H61261 [0,1,0,0,0,0|2,0,0]=3 527 B11R1.167 CC(=O)c1cc(ccc1Cl)Cl A13770 [0,1,0,0,0,0|2,0,0]=3 528 B11R1.167 CC(=O)c1cc(ccc1F)Br H61282 [0,1,0,0,0,0|2,0,0]=3 529 B11R1.167 CC(=O)c1cc(ccc1F)F A13911 [0,1,0,0,0,0|2,0,0]=3 530 B11R1.167 CC(=O)c1cc(ccc1I)F H66475 [0,1,0,0,0,0|2,0,0]=3 531 B11R1.167 CC(=O)c1cc(ccc1O)Br H61979 [0,1,0,0,0,0|1,0,0]=2 532 B11R1.167 CC(=O)c1cc(ccc1O)Cl A15448 [0,1,0,0,0,0|1,0,0]=2 533 B11R1.167 CC(=O)c1cc(ccc1O)F A15614 [0,1,0,0,0,0|1,0,0]=2 534 B11R1.167 CC(=O)c1cc(ccc1O)O A12185 [0,1,0,0,0,0|1,0,0]=2 535 B11R1.167 Cc1ccc(c(c1)C(=O)C)C A11432 [0,1,0,0,0,0|2,0,0]=3 536 B11R1.167 Cc1ccc(c(c1)C(=O)C)F H26575 [0,1,0,0,0,0|2,0,0]=3 537 B11R1.167 Cc1ccc(c(c1)C(=O)C)O A13136 [0,1,0,0,0,0|1,0,0]=2 538 B11R1.167 Cc1ccc(c(c1)C(=O)Cl)F H26093 [0,1,0,0,0,0|2,0,0]=3 539 B11R1.167 Cc1ccc(c(c1)C(=O)O)Br H32927 [0,1,0,0,0,0|2,0,0]=3 540 B11R1.167 Cc1ccc(c(c1)C(=O)O)C A15352 [0,1,0,0,0,0|2,0,0]=3 541 B11R1.167 Cc1ccc(c(c1)C(=O)O)Cl B25347 [0,1,0,0,0,0|2,0,0]=3 542 B11R1.167 Cc1ccc(c(c1)C(=O)O)F H26094 [0,1,0,0,0,0|2,0,0]=3 543 B11R1.167 Cc1ccc(c(c1)C(=O)O)N L01513 [0,1,0,0,0,0|2,0,0]=3 544 B11R1.167 Cc1ccc(c(c1)C(=O)O)O B20040 [0,1,0,0,0,0|1,0,0]=2 545 B11R1.167 Cc1ccc(c(c1)[N+](=O)[O-])Br A10718 [0,1,0,0,0,0|3,0,0]=4 546 B11R1.167 Cc1ccc(c(c1)[N+](=O)[O-])Cl A11383 [0,1,0,0,0,0|3,0,0]=4 547 B11R1.167 Cc1ccc(c(c1)[N+](=O)[O-])F H63317 [0,1,0,0,0,0|3,0,0]=4 548 B11R1.167 Cc1ccc(c(c1)[N+](=O)[O-])N A13666 [0,1,0,0,0,0|3,0,0]=4 549 B11R1.167 Cc1ccc(c(c1)[N+](=O)[O-])O A12009 [0,1,0,0,0,0|2,0,0]=3 550 B11R1.167 Cc1ccc(c(n1)[N+](=O)[O-])O L07074 [0,1,0,0,0,0|3,0,0]=4 551 B11R1.167 Cc1ccc(cc1C(=O)C)F H26819 [0,1,0,0,0,0|2,0,0]=3 552 B11R1.167 Cc1ccc(cc1C(=O)Cl)F L13750 [0,1,0,0,0,0|2,0,0]=3 553 B11R1.167 Cc1ccc(cc1C(=O)O)Br H60516 [0,1,0,0,0,0|2,0,0]=3 554 B11R1.167 Cc1ccc(cc1C(=O)O)Cl H60649 [0,1,0,0,0,0|2,0,0]=3 555 B11R1.167 Cc1ccc(cc1C(=O)O)F A10476 [0,1,0,0,0,0|2,0,0]=3 556 B11R1.167 Cc1ccc(cc1C(=O)O)N H60078 [0,1,0,0,0,0|2,0,0]=3 557 B11R1.167 Cc1ccc(cc1C(=O)O)O H60774 [0,1,0,0,0,0|2,0,0]=3 558 B11R1.167 Cc1ccc(cc1C(=S)N)F H33362 [0,1,0,0,0,0|1,1,0]=3 559 B11R1.167 Cc1ccc(cc1[N+](=O)[O-])Br A12951 [0,1,0,0,0,0|3,0,0]=4 560 B11R1.167 Cc1ccc(cc1[N+](=O)[O-])Cl B23382 [0,1,0,0,0,0|3,0,0]=4 561 B11R1.167 Cc1ccc(cc1[N+](=O)[O-])F B24677 [0,1,0,0,0,0|3,0,0]=4 562 B11R1.167 Cc1ccc(cc1[N+](=O)[O-])I A18607 [0,1,0,0,0,0|3,0,0]=4 563 B11R1.167 Cc1ccc(cc1[N+](=O)[O-])N A12538 [0,1,0,0,0,0|3,0,0]=4 564 B11R1.167 Cc1ccc(cc1[N+](=O)[O-])O 44285 [0,1,0,0,0,0|3,0,0]=4 565 B11R1.167 c1c(c(cnc1Cl)Cl)C(=O)O H58277 [0,1,0,0,0,0|3,0,0]=4 566 B11R1.167 c1c(cnc(c1C(=O)O)Cl)Br H61154 [0,1,0,0,0,0|3,0,0]=4 567 B11R1.167 c1c(cnc(c1C(=O)O)Cl)Cl H64998 [0,1,0,0,0,0|3,0,0]=4 568 B11R1.167 c1c(cnc(c1C(=O)O)O)Cl B20706 [0,1,0,0,0,0|2,0,0]=3 569 B11R1.167 c1c(cnc(c1[N+](=O)[O-])O)Br L19850 [0,1,0,0,0,0|3,0,0]=4 570 B11R1.167 c1c(cnc(c1[N+](=O)[O-])O)Cl L19860 [0,1,0,0,0,0|3,0,0]=4 571 B11R1.167 c1c(cnc(c1[N+](=O)[O-])O)F H64441 [0,1,0,0,0,0|3,0,0]=4 572 B11R1.167 c1c(nc(c(n1)Br)C(=O)N)Br H63856 [0,1,0,0,0,0|3,0,0]=4 573 B11R1.167 c1c(nc(c(n1)N)C(=O)N)Br H63202 [0,1,0,0,0,0|3,0,0]=4 574 B11R1.167 c1c[n+](cc(c1O)[N+](=O)[O-])[O-] L20045 [0,1,0,0,0,0|3,0,0]=4 575 B11R1.167 c1cc(c(cc1Br)C(=O)N)F H62457 [0,1,0,0,0,0|1,0,0]=2 576 B11R1.167 c1cc(c(cc1Br)C(=O)O)Br A15077 [0,1,0,0,0,0|2,0,0]=3 577 B11R1.167 c1cc(c(cc1Br)C(=O)O)Cl A12218 [0,1,0,0,0,0|2,0,0]=3 578 B11R1.167 c1cc(c(cc1Br)C(=O)O)F H60595 [0,1,0,0,0,0|2,0,0]=3 579 B11R1.167 c1cc(c(cc1Br)C(=O)O)I H64643 [0,1,0,0,0,0|2,0,0]=3 580 B11R1.167 c1cc(c(cc1Br)C(=O)O)N A11915 [0,1,0,0,0,0|2,0,0]=3 581 B11R1.167 c1cc(c(cc1Br)C(=O)O)O B20338 [0,1,0,0,0,0|1,0,0]=2 582 B11R1.167 c1cc(c(cc1Br)[N+](=O)[O-])Br A10472 [0,1,0,0,0,0|3,0,0]=4 583 B11R1.167 c1cc(c(cc1Br)[N+](=O)[O-])F B22523 [0,1,0,0,0,0|3,0,0]=4 584 B11R1.167 c1cc(c(cc1Br)[N+](=O)[O-])N B25468 [0,1,0,0,0,0|3,0,0]=4 585 B11R1.167 c1cc(c(cc1Br)[N+](=O)[O-])O H26529 [0,1,0,0,0,0|2,0,0]=3 586 B11R1.167 c1cc(c(cc1Cl)C(=O)Cl)F B23273 [0,1,0,0,0,0|2,0,0]=3 587 B11R1.167 c1cc(c(cc1Cl)C(=O)N)Cl B25097 [0,1,0,0,0,0|1,0,0]=2 588 B11R1.167 c1cc(c(cc1Cl)C(=O)N)F B24623 [0,1,0,0,0,0|1,0,0]=2 589 B11R1.167 c1cc(c(cc1Cl)C(=O)N)N A11153 [0,1,0,0,0,0|1,0,0]=2 590 B11R1.167 c1cc(c(cc1Cl)C(=O)N)O L17897 [0,1,0,0,0,0|0,0,0]=1 591 B11R1.167 c1cc(c(cc1Cl)C(=O)O)Br A10103 [0,1,0,0,0,0|2,0,0]=3 592 B11R1.167 c1cc(c(cc1Cl)C(=O)O)Cl A16108 [0,1,0,0,0,0|2,0,0]=3 593 B11R1.167 c1cc(c(cc1Cl)C(=O)O)F B23776 [0,1,0,0,0,0|2,0,0]=3 594 B11R1.167 c1cc(c(cc1Cl)C(=O)O)N A14329 [0,1,0,0,0,0|2,0,0]=3 595 B11R1.167 c1cc(c(cc1Cl)C(=O)O)O B23984 [0,1,0,0,0,0|1,0,0]=2 596 B11R1.167 c1cc(c(cc1Cl)C(=S)N)Cl H32323 [0,1,0,0,0,0|1,1,0]=3 597 B11R1.167 c1cc(c(cc1Cl)[N+](=O)[O-])Br A12635 [0,1,0,0,0,0|3,0,0]=4 598 B11R1.167 c1cc(c(cc1Cl)[N+](=O)[O-])Cl A11896 [0,1,0,0,0,0|3,0,0]=4 599 B11R1.167 c1cc(c(cc1Cl)[N+](=O)[O-])N A18143 [0,1,0,0,0,0|3,0,0]=4 600 B11R1.167 c1cc(c(cc1Cl)[N+](=O)[O-])O A18150 [0,1,0,0,0,0|2,0,0]=3 601 B11R1.167 c1cc(c(cc1F)C(=O)Cl)Cl B24369 [0,1,0,0,0,0|2,0,0]=3 602 B11R1.167 c1cc(c(cc1F)C(=O)Cl)F A10651 [0,1,0,0,0,0|2,0,0]=3 603 B11R1.167 c1cc(c(cc1F)C(=O)N)Br H62366 [0,1,0,0,0,0|1,0,0]=2 604 B11R1.167 c1cc(c(cc1F)C(=O)N)Cl B23093 [0,1,0,0,0,0|1,0,0]=2 605 B11R1.167 c1cc(c(cc1F)C(=O)N)F B20971 [0,1,0,0,0,0|1,0,0]=2 606 B11R1.167 c1cc(c(cc1F)C(=O)N)N H66873 [0,1,0,0,0,0|1,0,0]=2 607 B11R1.167 c1cc(c(cc1F)C(=O)O)Br B25394 [0,1,0,0,0,0|2,0,0]=3 608 B11R1.167 c1cc(c(cc1F)C(=O)O)Cl H26462 [0,1,0,0,0,0|2,0,0]=3 609 B11R1.167 c1cc(c(cc1F)C(=O)O)F A10503 [0,1,0,0,0,0|2,0,0]=3 610 B11R1.167 c1cc(c(cc1F)C(=O)O)I H60937 [0,1,0,0,0,0|2,0,0]=3 611 B11R1.167 c1cc(c(cc1F)C(=O)O)N B21458 [0,1,0,0,0,0|2,0,0]=3 612 B11R1.167 c1cc(c(cc1F)C(=O)O)O B21751 [0,1,0,0,0,0|1,0,0]=2 613 B11R1.167 c1cc(c(cc1F)C(=S)N)F H32225 [0,1,0,0,0,0|1,1,0]=3 614 B11R1.167 c1cc(c(cc1F)[N+](=O)[O-])Br L15503 [0,1,0,0,0,0|3,0,0]=4 615 B11R1.167 c1cc(c(cc1F)[N+](=O)[O-])Cl A11400 [0,1,0,0,0,0|3,0,0]=4 616 B11R1.167 c1cc(c(cc1F)[N+](=O)[O-])F A11807 [0,1,0,0,0,0|3,0,0]=4 617 B11R1.167 c1cc(c(cc1F)[N+](=O)[O-])I A18962 [0,1,0,0,0,0|3,0,0]=4 618 B11R1.167 c1cc(c(cc1F)[N+](=O)[O-])N A10685 [0,1,0,0,0,0|3,0,0]=4 619 B11R1.167 c1cc(c(cc1F)[N+](=O)[O-])O A15847 [0,1,0,0,0,0|2,0,0]=3 620 B11R1.167 c1cc(c(cc1I)C(=O)Cl)F H26177 [0,1,0,0,0,0|2,0,0]=3 621 B11R1.167 c1cc(c(cc1I)C(=O)O)Br L19247 [0,1,0,0,0,0|2,0,0]=3 622 B11R1.167 c1cc(c(cc1I)C(=O)O)Cl L20161 [0,1,0,0,0,0|2,0,0]=3 623 B11R1.167 c1cc(c(cc1I)C(=O)O)F H26175 [0,1,0,0,0,0|2,0,0]=3 624 B11R1.167 c1cc(c(cc1I)C(=O)O)N A19838 [0,1,0,0,0,0|2,0,0]=3 625 B11R1.167 c1cc(c(cc1I)C(=O)O)O B21291 [0,1,0,0,0,0|1,0,0]=2 626 B11R1.167 c1cc(c(cc1N)C(=O)O)Br H60382 [0,1,0,0,0,0|2,0,0]=3 627 B11R1.167 c1cc(c(cc1N)C(=O)O)Cl L14501 [0,1,0,0,0,0|2,0,0]=3 628 B11R1.167 c1cc(c(cc1N)C(=O)O)F H26162 [0,1,0,0,0,0|2,0,0]=3 629 B11R1.167 c1cc(c(cc1N)C(=O)O)O B23970 [0,1,0,0,0,0|1,0,0]=2 630 B11R1.167 c1cc(c(cc1N)[N+](=O)[O-])F A15371 [0,1,0,0,0,0|3,0,0]=4 631 B11R1.167 c1cc(c(cc1N)[N+](=O)[O-])N B23477 [0,1,0,0,0,0|3,0,0]=4 632 B11R1.167 c1cc(c(cc1N)[N+](=O)[O-])O H27694 [0,1,0,0,0,0|2,0,0]=3 633 B11R1.167 c1cc(c(cc1O)C(=O)O)Cl H26112 [0,1,0,0,0,0|2,0,0]=3 634 B11R1.167 c1cc(c(cc1O)C(=O)O)F H26150 [0,1,0,0,0,0|2,0,0]=3 635 B11R1.167 c1cc(c(cc1O)C(=O)O)N L08256 [0,1,0,0,0,0|2,0,0]=3 636 B11R1.167 c1cc(c(cc1O)C(=O)O)O A11459 [0,1,0,0,0,0|1,0,0]=2 637 B11R1.167 c1cc(c(cc1O)[N+](=O)[O-])Cl L10108 [0,1,0,0,0,0|3,0,0]=4 638 B11R1.167 c1cc(c(cc1O)[N+](=O)[O-])N L09487 [0,1,0,0,0,0|3,0,0]=4 639 B11R1.167 c1cc(nc(c1Cl)C(=O)O)Cl H27146 [0,1,0,0,0,0|3,0,0]=4 640 B11R1.222 CCC(=O)c1ccccc1F L12423 [0,1,0,0,0,0|2,0,0]=3 641 B11R1.222 CCC(=O)c1ccccc1O B25442 [0,1,0,0,0,0|1,0,0]=2 642 B11R1.222 CCC(C)c1ccccc1O A18461 [0,1,0,0,0,0|2,0,1]=4 643 B11R1.222 CNC(=O)c1ccccc1Br H50583 [0,1,0,0,0,0|1,0,0]=2 644 B11R1.222 CNC(=O)c1ccccc1Cl H56910 [0,1,0,0,0,0|1,0,0]=2 645 B11R1.222 CNC(=O)c1ccccc1F H56104 [0,1,0,0,0,0|1,0,0]=2 646 B11R1.222 CNC(=O)c1cccnc1Cl H57963 [0,1,0,0,0,0|2,0,0]=3 647 B11R1.222 COC(=O)c1ccccc1Br A12435 [0,1,0,0,0,0|2,0,0]=3 648 B11R1.222 COC(=O)c1ccccc1Cl A11237 [0,1,0,0,0,0|2,0,0]=3 649 B11R1.222 COC(=O)c1ccccc1F A16133 [0,1,0,0,0,0|2,0,0]=3 650 B11R1.222 COC(=O)c1ccccc1I A13204 [0,1,0,0,0,0|2,0,0]=3 651 B11R1.222 COC(=O)c1ccccc1N A15681 [0,1,0,0,0,0|2,0,0]=3 652 B11R1.222 COC(=O)c1ccccc1O A10578 [0,1,0,0,0,0|1,0,0]=2 653 B11R1.222 COC(=O)c1ccccc1S H28400 [0,1,0,0,0,0|1,1,0]=3 654 B11R1.222 COC(=O)c1cccnc1Cl H64798 [0,1,0,0,0,0|3,0,0]=4 655 B11R1.222 COC(=O)c1cccnc1N H50013 [0,1,0,0,0,0|3,0,0]=4 656 B11R1.222 COC(=O)c1cccnc1O H33334 [0,1,0,0,0,0|2,0,0]=3 657 B11R1.222 COC(=O)c1cccoc1=O H25932 [0,1,0,0,0,0|2,0,1]=4 658 B11R1.222 COC(=O)c1ccncc1N H34007 [0,1,0,0,0,0|3,0,0]=4 659 B11R1.222 COC(=O)c1cnccc1N B25324 [0,1,0,0,0,0|3,0,0]=4 660 B11R1.222 Cc1c(cccn1)C(=O)OC L09074 [0,1,0,0,0,0|3,0,0]=4 661 B11R1.222 Cc1ccccc1C(=O)CBr H64651 [0,1,0,0,0,0|2,0,0]=3 662 B11R1.222 Cc1ccccc1C(=O)NN L00668 [0,1,0,0,0,0|1,0,0]=2 663 B11R1.222 Cc1ccccc1C(=O)OC A15695 [0,1,0,0,0,0|2,0,0]=3 664 B11R1.222 Cc1ccccc1\C(=N\O)\N H51719 [0,1,0,0,0,0|1,0,1]=3 665 B11R1.222 Cc1cccnc1\C(=N\O)\N H51808 [0,1,0,0,0,0|2,0,1]=4 666 B11R1.222 c1cc(c(nc1)Cl)\C(=N\O)\N H65400 [0,1,0,0,0,0|2,0,1]=4 667 B11R1.222 c1ccc(c(c1)C(=O)CBr)Cl H27303 [0,1,0,0,0,0|2,0,0]=3 668 B11R1.222 c1ccc(c(c1)C(=O)CBr)F H34179 [0,1,0,0,0,0|2,0,0]=3 669 B11R1.222 c1ccc(c(c1)C(=O)CBr)O B25722 [0,1,0,0,0,0|1,0,0]=2 670 B11R1.222 c1ccc(c(c1)C(=O)NN)Br L00937 [0,1,0,0,0,0|1,0,0]=2 671 B11R1.222 c1ccc(c(c1)C(=O)NN)Cl A11361 [0,1,0,0,0,0|1,0,0]=2 672 B11R1.222 c1ccc(c(c1)C(=O)NN)F B24921 [0,1,0,0,0,0|1,0,0]=2 673 B11R1.222 c1ccc(c(c1)C(=O)NN)N A10805 [0,1,0,0,0,0|1,0,0]=2 674 B11R1.222 c1ccc(c(c1)C(=O)NN)O A14218 [0,1,0,0,0,0|0,0,0]=1 675 B11R1.222 c1ccc(c(c1)C(=O)NO)O A11528 [0,1,0,0,0,0|0,0,0]=1 676 B11R1.222 c1ccc(c(c1)C(CN)O)F H50770 [0,1,0,0,0,0|1,0,2]=4 677 B11R1.222 c1ccc(c(c1)\C(=N\O)\N)N H51782 [0,1,0,0,0,0|1,0,1]=3 678 B11R1.222 c1ccc(c(c1)\C(=N\O)\N)O H54898 [0,1,0,0,0,0|0,0,1]=2 679 B11R2.1 Cc1c[nH]c2c1cccc2 L03890 [0,0,0,1,0,0|3,0,0]=4 680 B11R2.1 Cc1csc2c1cccc2 A15772 [0,0,0,1,0,0|2,1,0]=4 681 B11R2.1 c1cc2c(c(co2)Br)nc1 H33652 [0,0,0,1,0,0|3,0,0]=4 682 B11R2.1 c1ccc2c(c1)C(=O)CO2 A10202 [0,0,0,1,0,0|1,0,0]=2 683 B11R2.1 c1ccc2c(c1)C(=O)N=N2 L05860 [0,0,0,1,0,0|1,0,1]=3 684 B11R2.1 c1ccc2c(c1)CCC2=O A11056 [0,0,0,1,0,0|2,0,0]=3 685 B11R2.1 c1ccc2c(c1)CCC2N A16585 [0,0,0,1,0,0|2,0,1]=4 686 B11R2.1 c1ccc2c(c1)CC[C@@H]2N L19303 [0,0,0,1,0,0|2,0,1]=4 687 B11R2.1 c1ccc2c(c1)CC[C@H]2N L19302 [0,0,0,1,0,0|2,0,1]=4 688 B11R2.1 c1ccc2c(c1)COC2=O A15516 [0,0,0,1,0,0|2,0,0]=3 689 B11R2.1 c1ccc2c(c1)c(=O)[nH]o2 H50899 [0,0,0,1,0,0|0,0,0]=1 690 B11R2.1 c1ccc2c(c1)c(=O)[nH]s2 H60492 [0,0,0,1,0,0|0,1,0]=2 691 B11R2.1 c1ccc2c(c1)c(c[nH]2)I H66490 [0,0,0,1,0,0|3,0,0]=4 692 B11R2.1 c1ccc2c(c1)c(cs2)Br H32948 [0,0,0,1,0,0|2,1,0]=4 693 B11R2.1 c1ccc2c(c1)c(n[nH]2)Br H37775 [0,0,0,1,0,0|2,0,1]=4 694 B11R2.1 c1ccc2c(c1)c(n[nH]2)N H33435 [0,0,0,1,0,0|2,0,0]=3 695 B11R2.1 c1ccc2c(c1)c(ns2)Cl L17791 [0,0,0,1,0,0|1,1,1]=4 696 B11R2.1 c1ccn2c(c1)n[nH]c2=O L18705 [0,0,0,1,0,0|2,0,0]=3 697 B11R2.1 c1ccn2c(c1)ncc2N H58726 [0,0,0,1,0,0|3,0,0]=4 698 B11R2.1 c1ccn2c(c1)nnc2N H58980 [0,0,0,1,0,0|3,0,0]=4 699 B9R1.41 CC(=O)c1c(ccs1)Br L20113 [0,0,0,0,1,0|3,0,0]=4 700 B9R1.41 CC(=O)c1c(ccs1)Cl L20114 [0,0,0,0,1,0|3,0,0]=4 701 B9R1.41 CC(=O)c1c(ccs1)N L10563 [0,0,0,0,1,0|3,0,0]=4 702 B9R1.41 CC(=O)c1cccn1C A15353 [0,0,0,0,1,0|3,0,0]=4 703 B9R1.41 Cc1c(cco1)C(=O)Cl H27206 [0,0,0,0,1,0|3,0,0]=4 704 B9R1.41 Cc1c(cco1)C(=O)O B24928 [0,0,0,0,1,0|3,0,0]=4 705 B9R1.41 Cc1ccoc1C(=O)O L01763 [0,0,0,0,1,0|3,0,0]=4 706 B9R1.41 Cc1ccsc1C(=O)C L04086 [0,0,0,0,1,0|3,0,0]=4 707 B9R1.41 Cc1ccsc1C(=O)Cl L17989 [0,0,0,0,1,0|3,0,0]=4 708 B9R1.41 Cc1ccsc1C(=O)N L18092 [0,0,0,0,1,0|2,0,0]=3 709 B9R1.41 Cc1ccsc1C(=O)O A19194 [0,0,0,0,1,0|3,0,0]=4 710 B9R1.41 Cn1cccc1C(=O)Cl L18431 [0,0,0,0,1,0|3,0,0]=4 711 B9R1.41 Cn1cccc1C(=O)O L05906 [0,0,0,0,1,0|3,0,0]=4 712 B9R1.41 c1[nH]c(c(n1)N)C(=O)N B24012 [0,0,0,0,1,0|3,0,0]=4 713 B9R1.41 c1[nH]c(c(n1)N)C(=O)N H66184 [0,0,0,0,1,0|3,0,0]=4 714 B9R1.41 c1c(c(n[nH]1)N)C(=O)N L06521 [0,0,0,0,1,0|3,0,0]=4 715 B9R1.41 c1csc(c1Br)C(=O)N L16138 [0,0,0,0,1,0|2,0,0]=3 716 B9R1.41 c1csc(c1Br)C(=O)O A11935 [0,0,0,0,1,0|3,0,0]=4 717 B9R1.41 c1csc(c1Cl)C(=O)O L13560 [0,0,0,0,1,0|3,0,0]=4 718 B9R1.41 c1csc(c1N)C(=O)N L12371 [0,0,0,0,1,0|2,0,0]=3 719 B11R1.86 CC(=O)Cc1ccccc1Cl L09846 [0,0,0,0,0,1|2,0,0]=3 720 B11R1.86 CC(=O)Cc1ccccc1F H61535 [0,0,0,0,0,1|2,0,0]=3 721 B11R1.86 CC(=O)Nc1ccccc1Br L20132 [0,0,0,0,0,1|2,0,0]=3 722 B11R1.86 CC(=O)Nc1ccccc1Cl A14711 [0,0,0,0,0,1|2,0,0]=3 723 B11R1.86 CC(=O)Nc1ccccc1F A16927 [0,0,0,0,0,1|2,0,0]=3 724 B11R1.86 CC(=O)Nc1ccccc1N H27343 [0,0,0,0,0,1|2,0,0]=3 725 B11R1.86 CC(=O)Nc1ccccc1O B21264 [0,0,0,0,0,1|1,0,0]=2 726 B11R1.86 CC(C)Oc1ccccc1O L07360 [0,0,0,0,0,1|2,0,1]=4 727 B11R1.86 CC(Cc1ccccc1F)N H50999 [0,0,0,0,0,1|2,0,1]=4 728 B11R1.86 Cc1ccccc1CC(=O)Cl H37418 [0,0,0,0,0,1|2,0,0]=3 729 B11R1.86 Cc1ccccc1CC(=O)O A15783 [0,0,0,0,0,1|2,0,0]=3 730 B11R1.86 Cc1ccccc1CC(=S)N H33111 [0,0,0,0,0,1|1,1,0]=3 731 B11R1.86 Cc1ccccc1NC(=O)C A13235 [0,0,0,0,0,1|2,0,0]=3 732 B11R1.86 Cc1ccccc1NC(=O)N B23086 [0,0,0,0,0,1|1,0,0]=2 733 B11R1.86 Cc1ccccc1NC(=S)N B22350 [0,0,0,0,0,1|1,1,0]=3 734 B11R1.86 Cc1cccnc1NC(=S)N H33346 [0,0,0,0,0,1|2,1,0]=4 735 B11R1.86 c1cc(c(nc1)NC(=S)N)Br H33465 [0,0,0,0,0,1|2,1,0]=4 736 B11R1.86 c1ccc(c(c1)CC(=O)O)Br A16900 [0,0,0,0,0,1|2,0,0]=3 737 B11R1.86 c1ccc(c(c1)CC(=O)O)Cl A15834 [0,0,0,0,0,1|2,0,0]=3 738 B11R1.86 c1ccc(c(c1)CC(=O)O)F A10596 [0,0,0,0,0,1|2,0,0]=3 739 B11R1.86 c1ccc(c(c1)CC(=O)O)I L15116 [0,0,0,0,0,1|2,0,0]=3 740 B11R1.86 c1ccc(c(c1)CC(=O)O)O A13924 [0,0,0,0,0,1|1,0,0]=2 741 B11R1.86 c1ccc(c(c1)CC(=S)N)Cl H26685 [0,0,0,0,0,1|1,1,0]=3 742 B11R1.86 c1ccc(c(c1)NC(=O)N)F L01247 [0,0,0,0,0,1|1,0,0]=2 743 B11R1.86 c1ccc(c(c1)NC(=S)N)Br L10098 [0,0,0,0,0,1|1,1,0]=3 744 B11R1.86 c1ccc(c(c1)NC(=S)N)Cl L05711 [0,0,0,0,0,1|1,1,0]=3 745 B11R1.86 c1ccc(c(c1)NC(=S)N)F B20883 [0,0,0,0,0,1|1,1,0]=3 746 B11R1.86 c1ccc(c(c1)NC(=S)N)O L10519 [0,0,0,0,0,1|0,1,0]=2 747 B8R1.2 C#Cc1ccccc1 A12139 [2,0,0,0,0,0|1,0,1]=4 748 B8R1.2 C=Cc1ccccc1 16199 [2,0,0,0,0,0|1,0,0]=3 749 B8R1.2 C=Cc1ccccc1 A18481 [2,0,0,0,0,0|1,0,0]=3 750 B8R1.2 C=Cc1ccccn1 A14056 [2,0,0,0,0,0|2,0,0]=4 751 B8R1.2 C=Cc1ccncc1 H36621 [2,0,0,0,0,0|2,0,0]=4 752 B8R1.2 C=Cc1ccncc1 L13316 [2,0,0,0,0,0|2,0,0]=4 753 B8R1.2 CCc1ccccc1 L05908 [2,0,0,0,0,0|1,0,1]=4 754 B8R1.2 CNc1ccccc1 L13873 [2,0,0,0,0,0|2,0,0]=4 755 B8R1.2 COc1ccccc1 A12997 [2,0,0,0,0,0|2,0,0]=4 756 B8R1.2 CSc1ccccc1 A14846 [2,0,0,0,0,0|2,0,0]=4 757 B8R1.2 C[NH2+]c1ccccc1 A17781 [2,0,0,0,0,0|2,0,0]=4 758 B8R1.2 [2H]Oc1ccccc1 H51100 [2,0,0,0,0,0|2,0,0]=4 759 B8R1.2 [C-]#Cc1ccccc1 17538 [2,0,0,0,0,0|1,0,1]=4 760 B8R1.2 c1c(cncn1)C=O H54448 [2,0,0,0,0,0|2,0,0]=4 761 B8R1.2 c1cc(cnc1)C=O A14607 [2,0,0,0,0,0|1,0,0]=3 762 B8R1.2 c1cc(cnc1)CN B23634 [2,0,0,0,0,0|1,0,1]=4 763 B8R1.2 c1ccc(cc1)C#N 10004 [2,0,0,0,0,0|0,0,2]=4 764 B8R1.2 c1ccc(cc1)C#N 10006 [2,0,0,0,0,0|0,0,2]=4 765 B8R1.2 c1ccc(cc1)C#N A11173 [2,0,0,0,0,0|0,0,2]=4 766 B8R1.2 c1ccc(cc1)C=O 30749 [2,0,0,0,0,0|0,0,0]=2 767 B8R1.2 c1ccc(cc1)C=O A10348 [2,0,0,0,0,0|0,0,0]=2 768 B8R1.2 c1ccc(cc1)C=O L19475 [2,0,0,0,0,0|0,0,0]=2 769 B8R1.2 c1ccc(cc1)CBr A13535 [2,0,0,0,0,0|1,0,1]=4 770 B8R1.2 c1ccc(cc1)CCl A12481 [2,0,0,0,0,0|1,0,1]=4 771 B8R1.2 c1ccc(cc1)CN A10997 [2,0,0,0,0,0|0,0,1]=3 772 B8R1.2 c1ccc(cc1)CN L04102 [2,0,0,0,0,0|0,0,1]=3 773 B8R1.2 c1ccc(cc1)CN L19471 [2,0,0,0,0,0|0,0,1]=3 774 B8R1.2 c1ccc(cc1)CO 41218 [2,0,0,0,0,0|0,0,2]=4 775 B8R1.2 c1ccc(cc1)CO L03292 [2,0,0,0,0,0|0,0,2]=4 776 B8R1.2 c1ccc(cc1)CO L19592 [2,0,0,0,0,0|0,0,2]=4 777 B8R1.2 c1ccc(cc1)CS 44466 [2,0,0,0,0,0|0,1,1]=4 778 B8R1.2 c1ccc(cc1)CS B20081 [2,0,0,0,0,0|0,1,1]=4 779 B8R1.2 c1ccc(cc1)C[Mg+] 87299 [2,0,0,0,0,0|1,0,1]=4 780 B8R1.2 c1ccc(cc1)C[Mg+] H51154 [2,0,0,0,0,0|1,0,1]=4 781 B8R1.2 c1ccc(cc1)C[Zn+] H58014 [2,0,0,0,0,0|1,0,1]=4 782 B8R1.2 c1ccc(cc1)I=O B24531 [2,0,0,0,0,0|1,0,0]=3 783 B8R1.2 c1ccc(cc1)NN A11246 [2,0,0,0,0,0|1,0,0]=3 784 B8R1.2 c1ccc(cc1)NN A14645 [2,0,0,0,0,0|1,0,0]=3 785 B8R1.2 c1ccc(cc1)[As]=O A14674 [2,0,0,0,0,0|1,0,0]=3 786 B8R1.2 c1ccc(cc1)[Se]Br A11906 [2,0,0,0,0,0|2,0,0]=4 787 B8R1.2 c1ccc(cc1)[Se]Cl A12751 [2,0,0,0,0,0|2,0,0]=4 788 B8R1.2 c1ccnc(c1)C=O A11391 [2,0,0,0,0,0|1,0,0]=3 789 B8R1.2 c1ccnc(c1)CN B23208 [2,0,0,0,0,0|1,0,1]=4 790 B8R1.2 c1cnccc1C=O A10656 [2,0,0,0,0,0|1,0,0]=3 791 B8R1.2 c1cnccc1CN L06345 [2,0,0,0,0,0|1,0,1]=4 792 B8R1.5 Cc1c(cccn1)N H27540 [2,0,0,0,0,0|2,0,0]=4 793 B8R1.5 Cc1c(cccn1)O B24944 [2,0,0,0,0,0|1,0,1]=4 794 B8R1.5 Cc1ccc[nH]c1=O A12700 [2,0,0,0,0,0|2,0,0]=4 795 B8R1.5 Cc1ccccc1Br A12315 [2,0,0,0,0,0|1,0,1]=4 796 B8R1.5 Cc1ccccc1C 22902 [2,0,0,0,0,0|1,0,1]=4 797 B8R1.5 Cc1ccccc1C 32471 [2,0,0,0,0,0|1,0,1]=4 798 B8R1.5 Cc1ccccc1C A11358 [2,0,0,0,0,0|1,0,1]=4 799 B8R1.5 Cc1ccccc1Cl B23596 [2,0,0,0,0,0|1,0,1]=4 800 B8R1.5 Cc1ccccc1F A16912 [2,0,0,0,0,0|1,0,1]=4 801 B8R1.5 Cc1ccccc1I B22697 [2,0,0,0,0,0|1,0,1]=4 802 B8R1.5 Cc1ccccc1N A13602 [2,0,0,0,0,0|1,0,0]=3 803 B8R1.5 Cc1ccccc1O A12307 [2,0,0,0,0,0|0,0,1]=3 804 B8R1.5 Cc1ccccc1S B22460 [2,0,0,0,0,0|0,1,1]=4 805 B8R1.5 Cc1ccccc1[O-] 89454 [2,0,0,0,0,0|0,0,2]=4 806 B8R1.5 Cc1ccccc1[Zn+] H58749 [2,0,0,0,0,0|1,0,1]=4 807 B8R1.5 Cc1cccnc1N A10224 [2,0,0,0,0,0|2,0,0]=4 808 B8R1.5 Cc1ccncc1N L19730 [2,0,0,0,0,0|2,0,0]=4 809 B8R1.5 Cc1cnccc1O H32265 [2,0,0,0,0,0|1,0,1]=4 810 B8R1.5 Cn1ccccc1=O B24244 [2,0,0,0,0,0|2,0,0]=4 811 B8R1.5 c1cc(c(nc1)Br)N L19839 [2,0,0,0,0,0|2,0,0]=4 812 B8R1.5 c1cc(c(nc1)Br)O A12687 [2,0,0,0,0,0|2,0,0]=4 813 B8R1.5 c1cc(c(nc1)Cl)N A15830 [2,0,0,0,0,0|2,0,0]=4 814 B8R1.5 c1cc(c(nc1)Cl)O A11376 [2,0,0,0,0,0|2,0,0]=4 815 B8R1.5 c1cc(c(nc1)F)O H32862 [2,0,0,0,0,0|2,0,0]=4 816 B8R1.5 c1cc(c(nc1)I)O L08667 [2,0,0,0,0,0|2,0,0]=4 817 B8R1.5 c1cc(c(nc1)N)Br L20006 [2,0,0,0,0,0|2,0,0]=4 818 B8R1.5 c1cc(c(nc1)N)Cl H30166 [2,0,0,0,0,0|2,0,0]=4 819 B8R1.5 c1cc(c(nc1)N)F H31970 [2,0,0,0,0,0|2,0,0]=4 820 B8R1.5 c1cc(c(nc1)N)I H50001 [2,0,0,0,0,0|2,0,0]=4 821 B8R1.5 c1cc(c(nc1)N)N A14618 [2,0,0,0,0,0|2,0,0]=4 822 B8R1.5 c1cc(c(nc1)N)O A10665 [2,0,0,0,0,0|1,0,0]=3 823 B8R1.5 c1cc(c(nc1)O)Br L20014 [2,0,0,0,0,0|2,0,0]=4 824 B8R1.5 c1cc(c(nc1)O)Cl L20027 [2,0,0,0,0,0|2,0,0]=4 825 B8R1.5 c1cc(c(nc1)O)F H31705 [2,0,0,0,0,0|2,0,0]=4 826 B8R1.5 c1cc(c(nc1)O)N H64480 [2,0,0,0,0,0|1,0,0]=3 827 B8R1.5 c1cc(c(nc1)O)O L07104 [2,0,0,0,0,0|1,0,1]=4 828 B8R1.5 c1cc[n+](c(c1)O)[O-] H54207 [2,0,0,0,0,0|1,0,1]=4 829 B8R1.5 c1ccc(c(c1)Br)Br A14765 [2,0,0,0,0,0|2,0,0]=4 830 B8R1.5 c1ccc(c(c1)Br)I A17020 [2,0,0,0,0,0|2,0,0]=4 831 B8R1.5 c1ccc(c(c1)Cl)Br A11782 [2,0,0,0,0,0|2,0,0]=4 832 B8R1.5 c1ccc(c(c1)Cl)Cl 19385 [2,0,0,0,0,0|2,0,0]=4 833 B8R1.5 c1ccc(c(c1)Cl)Cl 32154 [2,0,0,0,0,0|2,0,0]=4 834 B8R1.5 c1ccc(c(c1)Cl)Cl A13881 [2,0,0,0,0,0|2,0,0]=4 835 B8R1.5 c1ccc(c(c1)Cl)I A18255 [2,0,0,0,0,0|2,0,0]=4 836 B8R1.5 c1ccc(c(c1)Cl)[Zn+] H58383 [2,0,0,0,0,0|2,0,0]=4 837 B8R1.5 c1ccc(c(c1)F)Br A10635 [2,0,0,0,0,0|2,0,0]=4 838 B8R1.5 c1ccc(c(c1)F)Cl B21209 [2,0,0,0,0,0|2,0,0]=4 839 B8R1.5 c1ccc(c(c1)F)F A10377 [2,0,0,0,0,0|2,0,0]=4 840 B8R1.5 c1ccc(c(c1)F)I A12411 [2,0,0,0,0,0|2,0,0]=4 841 B8R1.5 c1ccc(c(c1)F)S B24995 [2,0,0,0,0,0|1,1,0]=4 842 B8R1.5 c1ccc(c(c1)F)[Zn+] H58066 [2,0,0,0,0,0|2,0,0]=4 843 B8R1.5 c1ccc(c(c1)I)I B24425 [2,0,0,0,0,0|2,0,0]=4 844 B8R1.5 c1ccc(c(c1)N)Br A11788 [2,0,0,0,0,0|1,0,0]=3 845 B8R1.5 c1ccc(c(c1)N)Cl A15758 [2,0,0,0,0,0|1,0,0]=3 846 B8R1.5 c1ccc(c(c1)N)Cl L13483 [2,0,0,0,0,0|1,0,0]=3 847 B8R1.5 c1ccc(c(c1)N)F A12612 [2,0,0,0,0,0|1,0,0]=3 848 B8R1.5 c1ccc(c(c1)N)I A13059 [2,0,0,0,0,0|1,0,0]=3 849 B8R1.5 c1ccc(c(c1)N)N A11946 [2,0,0,0,0,0|1,0,0]=3 850 B8R1.5 c1ccc(c(c1)N)N J60354 [2,0,0,0,0,0|1,0,0]=3 851 B8R1.5 c1ccc(c(c1)N)O A13735 [2,0,0,0,0,0|0,0,0]=2 852 B8R1.5 c1ccc(c(c1)N)S A18952 [2,0,0,0,0,0|0,1,0]=3 853 B8R1.5 c1ccc(c(c1)O)Br A14112 [2,0,0,0,0,0|1,0,0]=3 854 B8R1.5 c1ccc(c(c1)O)Cl A10311 [2,0,0,0,0,0|1,0,0]=3 855 B8R1.5 c1ccc(c(c1)O)F A14979 [2,0,0,0,0,0|1,0,0]=3 856 B8R1.5 c1ccc(c(c1)O)I A13599 [2,0,0,0,0,0|1,0,0]=3 857 B8R1.5 c1ccc(c(c1)O)O A10164 [2,0,0,0,0,0|0,0,1]=3 858 B8R1.5 c1ccc(c(c1)O)S L12519 [2,0,0,0,0,0|0,1,0]=3 859 B8R1.5 c1ccc(c(c1)S)Br B25537 [2,0,0,0,0,0|1,1,0]=4 860 B8R1.5 c1ccc(c(c1)S)Cl A12014 [2,0,0,0,0,0|1,1,0]=4 861 B8R1.5 c1ccc(c(c1)S)S L11253 [2,0,0,0,0,0|0,2,0]=4 862 B8R1.5 c1cncc(c1Cl)N L19726 [2,0,0,0,0,0|2,0,0]=4 863 B8R1.5 c1cncc(c1I)N H50023 [2,0,0,0,0,0|2,0,0]=4 864 B8R1.5 c1cncc(c1N)Br L19521 [2,0,0,0,0,0|2,0,0]=4 865 B8R1.5 c1cncc(c1N)Cl H31093 [2,0,0,0,0,0|2,0,0]=4 866 B8R1.5 c1cncc(c1N)F H32949 [2,0,0,0,0,0|2,0,0]=4 867 B8R1.5 c1cncc(c1N)I H50027 [2,0,0,0,0,0|2,0,0]=4 868 B8R1.5 c1cncc(c1N)N A12465 [2,0,0,0,0,0|2,0,0]=4 869 B8R1.5 c1cncc(c1N)O H35280 [2,0,0,0,0,0|1,0,0]=3 870 B8R1.5 c1cncc(c1O)Br H33754 [2,0,0,0,0,0|2,0,0]=4 871 B8R1.5 c1cncc(c1O)Cl H64783 [2,0,0,0,0,0|2,0,0]=4 872 B8R1.5 c1cncc(c1O)N H27205 [2,0,0,0,0,0|1,0,0]=3 873 B10R1.13 CC(=C)c1ccc(cc1)Cl A14913 [1,1,0,0,0,0|2,0,0]=4 874 B10R1.13 CC(=C)c1ccc(cc1)F A14147 [1,1,0,0,0,0|2,0,0]=4 875 B10R1.13 CC(=O)c1ccc(cc1)Br A12222 [1,1,0,0,0,0|1,0,0]=3 876 B10R1.13 CC(=O)c1ccc(cc1)Cl A12115 [1,1,0,0,0,0|1,0,0]=3 877 B10R1.13 CC(=O)c1ccc(cc1)F A13950 [1,1,0,0,0,0|1,0,0]=3 878 B10R1.13 CC(=O)c1ccc(cc1)I A16794 [1,1,0,0,0,0|1,0,0]=3 879 B10R1.13 CC(=O)c1ccc(cc1)N A13213 [1,1,0,0,0,0|1,0,0]=3 880 B10R1.13 CC(=O)c1ccc(cc1)O A11974 [1,1,0,0,0,0|1,0,0]=3 881 B10R1.13 CC(=O)c1ccc(nc1)Br H33204 [1,1,0,0,0,0|2,0,0]=4 882 B10R1.13 CC(c1ccc(cc1)Br)N L11848 [1,1,0,0,0,0|1,0,1]=4 883 B10R1.13 CC(c1ccc(cc1)F)N L04575 [1,1,0,0,0,0|1,0,1]=4 884 B10R1.13 CC(c1ccc(cc1)O)N H63700 [1,1,0,0,0,0|1,0,1]=4 885 B10R1.13 C[C@@H](c1ccc(cc1)Br)N L20080 [1,1,0,0,0,0|1,0,1]=4 886 B10R1.13 C[C@@H](c1ccc(cc1)Cl)N H66715 [1,1,0,0,0,0|1,0,1]=4 887 B10R1.13 C[C@@H](c1ccc(cc1)Cl)N L19052 [1,1,0,0,0,0|1,0,1]=4 888 B10R1.13 C[C@@H](c1ccc(cc1)F)N L19121 [1,1,0,0,0,0|1,0,1]=4 889 B10R1.13 C[C@@H](c1ccc(cc1)O)N H63269 [1,1,0,0,0,0|1,0,1]=4 890 B10R1.13 C[C@H](c1ccc(cc1)Br)N L20079 [1,1,0,0,0,0|1,0,1]=4 891 B10R1.13 C[C@H](c1ccc(cc1)Cl)N L19119 [1,1,0,0,0,0|1,0,1]=4 892 B10R1.13 C[C@H](c1ccc(cc1)F)N L19120 [1,1,0,0,0,0|1,0,1]=4 893 B10R1.13 C[C@H](c1ccc(cc1)O)N H63001 [1,1,0,0,0,0|1,0,1]=4 894 B10R1.13 Cc1ccc(cc1)C(=C)C H31739 [1,1,0,0,0,0|2,0,0]=4 895 B10R1.13 Cc1ccc(cc1)C(=O)C A14469 [1,1,0,0,0,0|1,0,0]=3 896 B10R1.13 Cc1ccc(cc1)C(=O)Cl A15581 [1,1,0,0,0,0|1,0,0]=3 897 B10R1.13 Cc1ccc(cc1)C(=O)N A11559 [1,1,0,0,0,0|0,0,0]=2 898 B10R1.13 Cc1ccc(cc1)C(=O)O A11506 [1,1,0,0,0,0|1,0,0]=3 899 B10R1.13 Cc1ccc(cc1)C(=S)N B20320 [1,1,0,0,0,0|0,1,0]=3 900 B10R1.13 Cc1ccc(cc1)S(=O)[O-] A11430 [1,1,0,0,0,0|2,0,0]=4 901 B10R1.13 Cc1ccc(cc1)[C@@H](C)N L16328 [1,1,0,0,0,0|1,0,1]=4 902 B10R1.13 Cc1ccc(cc1)[C@H](C)N L16329 [1,1,0,0,0,0|1,0,1]=4 903 B10R1.13 Cc1ccc(cc1)[N+](=O)[O-] A14398 [1,1,0,0,0,0|2,0,0]=4 904 B10R1.13 Cc1ccc(cn1)C(=O)C H27014 [1,1,0,0,0,0|2,0,0]=4 905 B10R1.13 Cc1ccc(cn1)C(=O)N A16039 [1,1,0,0,0,0|1,0,0]=3 906 B10R1.13 Cc1ccc(cn1)C(=O)O L08877 [1,1,0,0,0,0|2,0,0]=4 907 B10R1.13 c1c[n+](ccc1C(=O)O)[O-] L02425 [1,1,0,0,0,0|2,0,0]=4 908 B10R1.13 c1cc(=O)occ1C(=O)O B25521 [1,1,0,0,0,0|2,0,0]=4 909 B10R1.13 c1cc(ccc1C(=N)N)Br H37831 [1,1,0,0,0,0|1,0,0]=3 910 B10R1.13 c1cc(ccc1C(=N)N)Cl A11571 [1,1,0,0,0,0|1,0,0]=3 911 B10R1.13 c1cc(ccc1C(=N)N)F H61570 [1,1,0,0,0,0|1,0,0]=3 912 B10R1.13 c1cc(ccc1C(=N)N)N L14089 [1,1,0,0,0,0|1,0,0]=3 913 B10R1.13 c1cc(ccc1C(=N)N)O H31566 [1,1,0,0,0,0|1,0,0]=3 914 B10R1.13 c1cc(ccc1C(=O)Cl)Br L03794 [1,1,0,0,0,0|1,0,0]=3 915 B10R1.13 c1cc(ccc1C(=O)Cl)Cl A16325 [1,1,0,0,0,0|1,0,0]=3 916 B10R1.13 c1cc(ccc1C(=O)Cl)F A12946 [1,1,0,0,0,0|1,0,0]=3 917 B10R1.13 c1cc(ccc1C(=O)Cl)I B25388 [1,1,0,0,0,0|1,0,0]=3 918 B10R1.13 c1cc(ccc1C(=O)N)Br B24348 [1,1,0,0,0,0|0,0,0]=2 919 B10R1.13 c1cc(ccc1C(=O)N)Cl A13809 [1,1,0,0,0,0|0,0,0]=2 920 B10R1.13 c1cc(ccc1C(=O)N)F L06831 [1,1,0,0,0,0|0,0,0]=2 921 B10R1.13 c1cc(ccc1C(=O)N)N A12594 [1,1,0,0,0,0|0,0,0]=2 922 B10R1.13 c1cc(ccc1C(=O)N)O B24222 [1,1,0,0,0,0|0,0,0]=2 923 B10R1.13 c1cc(ccc1C(=O)O)Br A12518 [1,1,0,0,0,0|1,0,0]=3 924 B10R1.13 c1cc(ccc1C(=O)O)Cl A15135 [1,1,0,0,0,0|1,0,0]=3 925 B10R1.13 c1cc(ccc1C(=O)O)F A14129 [1,1,0,0,0,0|1,0,0]=3 926 B10R1.13 c1cc(ccc1C(=O)O)I A10730 [1,1,0,0,0,0|1,0,0]=3 927 B10R1.13 c1cc(ccc1C(=O)O)N A12673 [1,1,0,0,0,0|1,0,0]=3 928 B10R1.13 c1cc(ccc1C(=O)O)O A13700 [1,1,0,0,0,0|1,0,0]=3 929 B10R1.13 c1cc(ccc1C(=O)[O-])O H56590 [1,1,0,0,0,0|1,0,0]=3 930 B10R1.13 c1cc(ccc1C(=S)N)Br H55956 [1,1,0,0,0,0|0,1,0]=3 931 B10R1.13 c1cc(ccc1C(=S)N)Cl A12021 [1,1,0,0,0,0|0,1,0]=3 932 B10R1.13 c1cc(ccc1C(=S)N)F H32093 [1,1,0,0,0,0|0,1,0]=3 933 B10R1.13 c1cc(ccc1C(=S)N)N H51849 [1,1,0,0,0,0|0,1,0]=3 934 B10R1.13 c1cc(ccc1C(=S)N)O H32780 [1,1,0,0,0,0|0,1,0]=3 935 B10R1.13 c1cc(ccc1Cl)[Se](=O)O B21186 [1,1,0,0,0,0|2,0,0]=4 936 B10R1.13 c1cc(ccc1N)[N+](=O)[O-] A10369 [1,1,0,0,0,0|2,0,0]=4 937 B10R1.13 c1cc(ccc1S(=O)[O-])Br B20281 [1,1,0,0,0,0|2,0,0]=4 938 B10R1.13 c1cc(ccc1S(=O)[O-])Cl A12583 [1,1,0,0,0,0|2,0,0]=4 939 B10R1.13 c1cc(ccc1[N+](=O)[O-])Br A17705 [1,1,0,0,0,0|2,0,0]=4 940 B10R1.13 c1cc(ccc1[N+](=O)[O-])Cl A15396 [1,1,0,0,0,0|2,0,0]=4 941 B10R1.13 c1cc(ccc1[N+](=O)[O-])F A11057 [1,1,0,0,0,0|2,0,0]=4 942 B10R1.13 c1cc(ccc1[N+](=O)[O-])I B23950 [1,1,0,0,0,0|2,0,0]=4 943 B10R1.13 c1cc(ccc1[N+](=O)[O-])O A14376 [1,1,0,0,0,0|2,0,0]=4 944 B10R1.13 c1cc(ccc1[N+](=O)[O-])S H59240 [1,1,0,0,0,0|2,0,0]=4 945 B10R1.13 c1cc(ncc1Br)C(=O)Cl H61760 [1,1,0,0,0,0|2,0,0]=4 946 B10R1.13 c1cc(ncc1Br)C(=O)O B25675 [1,1,0,0,0,0|2,0,0]=4 947 B10R1.13 c1cc(ncc1C(=O)Cl)Cl A12354 [1,1,0,0,0,0|2,0,0]=4 948 B10R1.13 c1cc(ncc1C(=O)N)Cl B21922 [1,1,0,0,0,0|1,0,0]=3 949 B10R1.13 c1cc(ncc1C(=O)N)N L06692 [1,1,0,0,0,0|1,0,0]=3 950 B10R1.13 c1cc(ncc1C(=O)O)Br H27926 [1,1,0,0,0,0|2,0,0]=4 951 B10R1.13 c1cc(ncc1C(=O)O)Cl A15620 [1,1,0,0,0,0|2,0,0]=4 952 B10R1.13 c1cc(ncc1C(=O)O)F H55147 [1,1,0,0,0,0|2,0,0]=4 953 B10R1.13 c1cc(ncc1C(=O)O)N A11223 [1,1,0,0,0,0|2,0,0]=4 954 B10R1.13 c1cc(ncc1C(=O)O)O A15802 [1,1,0,0,0,0|2,0,0]=4 955 B10R1.13 c1cc(ncc1C(=S)N)N H51775 [1,1,0,0,0,0|1,1,0]=4 956 B10R1.13 c1cc(ncc1Cl)C(=O)O H30923 [1,1,0,0,0,0|2,0,0]=4 957 B10R1.13 c1cc(ncc1F)C(=O)O H32086 [1,1,0,0,0,0|2,0,0]=4 958 B10R1.13 c1cc(ncc1N)C(=O)O H27589 [1,1,0,0,0,0|2,0,0]=4 959 B10R1.13 c1cc(ncc1N)C(=S)N H54721 [1,1,0,0,0,0|1,1,0]=4 960 B10R1.13 c1cc(ncc1O)C(=O)O H64265 [1,1,0,0,0,0|2,0,0]=4 961 B10R1.15 CC(C=O)c1ccccc1 B22436 [1,1,0,0,0,0|1,0,1]=4 962 B10R1.15 CC(CN)c1ccccc1 H36338 [1,1,0,0,0,0|1,0,1]=4 963 B10R1.15 CCC(=O)c1ccccc1 A15140 [1,1,0,0,0,0|1,0,0]=3 964 B10R1.15 CCC(=O)c1cccnc1 L09711 [1,1,0,0,0,0|2,0,0]=4 965 B10R1.15 CCC(=O)c1ccncc1 L11552 [1,1,0,0,0,0|2,0,0]=4 966 B10R1.15 CC[C@@H](c1ccccc1)N L16320 [1,1,0,0,0,0|1,0,1]=4 967 B10R1.15 CC[C@H](c1ccccc1)N L16319 [1,1,0,0,0,0|1,0,1]=4 968 B10R1.15 CN(C=O)c1ccccc1 A11829 [1,1,0,0,0,0|2,0,0]=4 969 B10R1.15 CNC(=O)c1ccccc1 A18057 [1,1,0,0,0,0|0,0,0]=2 970 B10R1.15 COC(=O)c1ccccc1 44368 [1,1,0,0,0,0|1,0,0]=3 971 B10R1.15 COC(=O)c1ccccc1 A12404 [1,1,0,0,0,0|1,0,0]=3 972 B10R1.15 COC(=O)c1ccccn1 H54530 [1,1,0,0,0,0|2,0,0]=4 973 B10R1.15 COC(=O)c1cccnc1 B23908 [1,1,0,0,0,0|2,0,0]=4 974 B10R1.15 COC(=O)c1ccncc1 B23263 [1,1,0,0,0,0|2,0,0]=4 975 B10R1.15 C\C(=N/O)\c1ccccc1 A11804 [1,1,0,0,0,0|1,0,1]=4 976 B10R1.15 c1cc(cnc1)C(=O)NN L02059 [1,1,0,0,0,0|1,0,0]=3 977 B10R1.15 c1cc(cnc1)C(=O)[NH2+][O-] H61292 [1,1,0,0,0,0|1,0,1]=4 978 B10R1.15 c1cc(cnc1)\C(=N\O)\N H51749 [1,1,0,0,0,0|1,0,1]=4 979 B10R1.15 c1ccc(cc1)C(=O)C=O A10677 [1,1,0,0,0,0|1,0,0]=3 980 B10R1.15 c1ccc(cc1)C(=O)CBr A15576 [1,1,0,0,0,0|1,0,0]=3 981 B10R1.15 c1ccc(cc1)C(=O)CCl A10749 [1,1,0,0,0,0|1,0,0]=3 982 B10R1.15 c1ccc(cc1)C(=O)CN H29117 [1,1,0,0,0,0|0,0,0]=2 983 B10R1.15 c1ccc(cc1)C(=O)CO 42013 [1,1,0,0,0,0|1,0,0]=3 984 B10R1.15 c1ccc(cc1)C(=O)NN A12268 [1,1,0,0,0,0|0,0,0]=2 985 B10R1.15 c1ccc(cc1)C(=O)NO A10509 [1,1,0,0,0,0|0,0,0]=2 986 B10R1.15 c1ccc(cc1)C(CN)O H63932 [1,1,0,0,0,0|0,0,2]=4 987 B10R1.15 c1ccc(cc1)N(N=O)[O-] A16551 [1,1,0,0,0,0|2,0,0]=4 988 B10R1.15 c1ccc(cc1)[C@@H](C#N)N L06355 [1,1,0,0,0,0|1,0,1]=4 989 B10R1.15 c1ccc(cc1)[C@@H](CN)O L19404 [1,1,0,0,0,0|0,0,2]=4 990 B10R1.15 c1ccc(cc1)[C@@H](CO)N L13265 [1,1,0,0,0,0|0,0,2]=4 991 B10R1.15 c1ccc(cc1)[C@H](CN)O L19403 [1,1,0,0,0,0|0,0,2]=4 992 B10R1.15 c1ccc(cc1)[C@H](CO)N A19030 [1,1,0,0,0,0|0,0,2]=4 993 B10R1.15 c1ccc(cc1)\C(=N\O)\N H26068 [1,1,0,0,0,0|0,0,1]=3 994 B10R1.15 c1ccnc(c1)\C(=N\O)\N H51705 [1,1,0,0,0,0|1,0,1]=4 995 B10R1.15 c1cnccc1C(=O)CBr H32285 [1,1,0,0,0,0|2,0,0]=4 996 B10R1.15 c1cnccc1C(=O)NN A10583 [1,1,0,0,0,0|1,0,0]=3 997 B10R1.15 c1cnccc1\C(=N\O)\N H51722 [1,1,0,0,0,0|1,0,1]=4 998 B10R1.28 CC(C)(c1ccccc1)N H26845 [1,1,0,0,0,0|1,0,1]=4 999 B10R1.28 CP(=O)(c1ccccc1)Cl A18349 [1,1,0,0,0,0|2,0,0]=4 1000 B10R1.28 CP(=O)(c1ccccc1)O A19774 [1,1,0,0,0,0|2,0,0]=4 1001 B10R1.28 CS(=O)(=O)c1ccccc1 A11727 [1,1,0,0,0,0|2,0,0]=4 1002 B10R1.28 C[S@@](=N)(=O)c1ccccc1 L08562 [1,1,0,0,0,0|1,0,1]=4 1003 B10R1.28 C[S@](=N)(=O)c1ccccc1 L08618 [1,1,0,0,0,0|1,0,1]=4 1004 B10R1.28 c1ccc(cc1)P(=O)(Cl)Cl A13777 [1,1,0,0,0,0|2,0,0]=4 1005 B10R1.28 c1ccc(cc1)P(=O)(O)O B22939 [1,1,0,0,0,0|2,0,0]=4 1006 B10R1.28 c1ccc(cc1)S(=O)(=O)Cl A10849 [1,1,0,0,0,0|2,0,0]=4 1007 B10R1.28 c1ccc(cc1)S(=O)(=O)Cl L19465 [1,1,0,0,0,0|2,0,0]=4 1008 B10R1.28 c1ccc(cc1)S(=O)(=O)F L04689 [1,1,0,0,0,0|2,0,0]=4 1009 B10R1.28 c1ccc(cc1)S(=O)(=O)N A10891 [1,1,0,0,0,0|1,0,0]=3 1010 B10R1.28 c1ccc(cc1)S(=O)(=O)O A16148 [1,1,0,0,0,0|2,0,0]=4 1011 B10R1.28 c1ccc(cc1)S(=O)(=O)O L19077 [1,1,0,0,0,0|2,0,0]=4 1012 B10R1.28 c1ccc(cc1)S(=O)(=O)[O-] L12072 [1,1,0,0,0,0|2,0,0]=4 1013 B10R1.28 c1ccc(cc1)[As](=O)(O)O A10625 [1,1,0,0,0,0|2,0,0]=4 1014 B10R1.113 CC(=O)c1cc(ccn1)Br H66562 [1,1,0,0,0,0|2,0,0]=4 1015 B10R1.113 CC(=O)c1cc(cnc1)Br L19362 [1,1,0,0,0,0|2,0,0]=4 1016 B10R1.113 CC(=O)c1cccc(c1)Br A12454 [1,1,0,0,0,0|1,0,0]=3 1017 B10R1.113 CC(=O)c1cccc(c1)Cl A15592 [1,1,0,0,0,0|1,0,0]=3 1018 B10R1.113 CC(=O)c1cccc(c1)F A11733 [1,1,0,0,0,0|1,0,0]=3 1019 B10R1.113 CC(=O)c1cccc(c1)N A12503 [1,1,0,0,0,0|1,0,0]=3 1020 B10R1.113 CC(=O)c1cccc(c1)O A12547 [1,1,0,0,0,0|1,0,0]=3 1021 B10R1.113 CC(=O)c1cccc(n1)Br H55981 [1,1,0,0,0,0|2,0,0]=4 1022 B10R1.113 CC(=O)c1ccnc(c1)Cl H33619 [1,1,0,0,0,0|2,0,0]=4 1023 B10R1.113 C[C@@H](c1cccc(c1)Br)N H26998 [1,1,0,0,0,0|1,0,1]=4 1024 B10R1.113 C[C@@H](c1cccc(c1)Cl)N H27637 [1,1,0,0,0,0|1,0,1]=4 1025 B10R1.113 C[C@H](c1cccc(c1)Br)N H27636 [1,1,0,0,0,0|1,0,1]=4 1026 B10R1.113 C[C@H](c1cccc(c1)Cl)N H27461 [1,1,0,0,0,0|1,0,1]=4 1027 B10R1.113 Cc1cc(ccn1)C(=O)O H57969 [1,1,0,0,0,0|2,0,0]=4 1028 B10R1.113 Cc1cc(cnc1)C(=O)N L18970 [1,1,0,0,0,0|1,0,0]=3 1029 B10R1.113 Cc1cc(cnc1)C(=O)O L16370 [1,1,0,0,0,0|2,0,0]=4 1030 B10R1.113 Cc1cccc(c1)C(=C)C H50760 [1,1,0,0,0,0|2,0,0]=4 1031 B10R1.113 Cc1cccc(c1)C(=O)C L00440 [1,1,0,0,0,0|1,0,0]=3 1032 B10R1.113 Cc1cccc(c1)C(=O)Cl B23914 [1,1,0,0,0,0|1,0,0]=3 1033 B10R1.113 Cc1cccc(c1)C(=O)N B24442 [1,1,0,0,0,0|0,0,0]=2 1034 B10R1.113 Cc1cccc(c1)C(=O)O A13785 [1,1,0,0,0,0|1,0,0]=3 1035 B10R1.113 Cc1cccc(c1)C(=S)N H26468 [1,1,0,0,0,0|0,1,0]=3 1036 B10R1.113 Cc1cccc(n1)C(=O)C H65997 [1,1,0,0,0,0|2,0,0]=4 1037 B10R1.113 Cc1cccc(n1)C(=O)O H26302 [1,1,0,0,0,0|2,0,0]=4 1038 B10R1.113 c1c(cncc1Br)C(=O)Cl L15510 [1,1,0,0,0,0|2,0,0]=4 1039 B10R1.113 c1c(cncc1Br)C(=O)N A17840 [1,1,0,0,0,0|1,0,0]=3 1040 B10R1.113 c1c(cncc1Br)C(=O)O A13589 [1,1,0,0,0,0|2,0,0]=4 1041 B10R1.113 c1c(cncc1Cl)C(=O)O H26804 [1,1,0,0,0,0|2,0,0]=4 1042 B10R1.113 c1c(cncc1F)C(=O)O H61162 [1,1,0,0,0,0|2,0,0]=4 1043 B10R1.113 c1c(cncc1N)C(=O)O H60192 [1,1,0,0,0,0|2,0,0]=4 1044 B10R1.113 c1c(cncc1O)C(=O)O H30725 [1,1,0,0,0,0|2,0,0]=4 1045 B10R1.113 c1cc(cc(c1)Br)C(=O)Cl A15256 [1,1,0,0,0,0|1,0,0]=3 1046 B10R1.113 c1cc(cc(c1)Br)C(=O)N H64672 [1,1,0,0,0,0|0,0,0]=2 1047 B10R1.113 c1cc(cc(c1)Br)C(=O)O A12606 [1,1,0,0,0,0|1,0,0]=3 1048 B10R1.113 c1cc(cc(c1)Cl)C(=O)Cl A13509 [1,1,0,0,0,0|1,0,0]=3 1049 B10R1.113 c1cc(cc(c1)Cl)C(=O)N A11389 [1,1,0,0,0,0|0,0,0]=2 1050 B10R1.113 c1cc(cc(c1)Cl)C(=O)O A10876 [1,1,0,0,0,0|1,0,0]=3 1051 B10R1.113 c1cc(cc(c1)Cl)C(=S)N H26423 [1,1,0,0,0,0|0,1,0]=3 1052 B10R1.113 c1cc(cc(c1)Cl)[N+](=O)[O-] B23423 [1,1,0,0,0,0|2,0,0]=4 1053 B10R1.113 c1cc(cc(c1)F)C(=O)Cl L09152 [1,1,0,0,0,0|1,0,0]=3 1054 B10R1.113 c1cc(cc(c1)F)C(=O)N L06701 [1,1,0,0,0,0|0,0,0]=2 1055 B10R1.113 c1cc(cc(c1)F)C(=O)O A16511 [1,1,0,0,0,0|1,0,0]=3 1056 B10R1.113 c1cc(cc(c1)F)[N+](=O)[O-] B25553 [1,1,0,0,0,0|2,0,0]=4 1057 B10R1.113 c1cc(cc(c1)I)C(=O)Cl L17451 [1,1,0,0,0,0|1,0,0]=3 1058 B10R1.113 c1cc(cc(c1)I)C(=O)O A11515 [1,1,0,0,0,0|1,0,0]=3 1059 B10R1.113 c1cc(cc(c1)I)[N+](=O)[O-] B21605 [1,1,0,0,0,0|2,0,0]=4 1060 B10R1.113 c1cc(cc(c1)N)C(=O)N A10793 [1,1,0,0,0,0|0,0,0]=2 1061 B10R1.113 c1cc(cc(c1)N)C(=O)O A19540 [1,1,0,0,0,0|1,0,0]=3 1062 B10R1.113 c1cc(cc(c1)N)C(=O)O L08407 [1,1,0,0,0,0|1,0,0]=3 1063 B10R1.113 c1cc(cc(c1)N)C(=S)N H51806 [1,1,0,0,0,0|0,1,0]=3 1064 B10R1.113 c1cc(cc(c1)O)C(=O)O A13628 [1,1,0,0,0,0|1,0,0]=3 1065 B10R1.113 c1cc(cc(c1)O)C(=S)N H52236 [1,1,0,0,0,0|0,1,0]=3 1066 B10R1.113 c1cc(cc(c1)O)[N+](=O)[O-] A15312 [1,1,0,0,0,0|2,0,0]=4 1067 B10R1.113 c1cc(cc(c1)[N+](=O)[O-])N A10629 [1,1,0,0,0,0|2,0,0]=4 1068 B10R1.113 c1cc(nc(c1)Br)C(=O)N H31811 [1,1,0,0,0,0|1,0,0]=3 1069 B10R1.113 c1cc(nc(c1)Br)C(=O)O H30553 [1,1,0,0,0,0|2,0,0]=4 1070 B10R1.113 c1cc(nc(c1)Cl)C(=O)N H33547 [1,1,0,0,0,0|1,0,0]=3 1071 B10R1.113 c1cc(nc(c1)Cl)C(=O)O L19448 [1,1,0,0,0,0|2,0,0]=4 1072 B10R1.113 c1cc(nc(c1)F)C(=O)N H32911 [1,1,0,0,0,0|1,0,0]=3 1073 B10R1.113 c1cc(nc(c1)F)C(=O)O H26106 [1,1,0,0,0,0|2,0,0]=4 1074 B10R1.113 c1cc(nc(c1)N)C(=O)O H31861 [1,1,0,0,0,0|2,0,0]=4 1075 B10R1.113 c1cnc(cc1Br)C(=O)O H64244 [1,1,0,0,0,0|2,0,0]=4 1076 B10R1.113 c1cnc(cc1C(=O)N)Br L19854 [1,1,0,0,0,0|1,0,0]=3 1077 B10R1.113 c1cnc(cc1C(=O)N)Cl H25769 [1,1,0,0,0,0|1,0,0]=3 1078 B10R1.113 c1cnc(cc1C(=O)N)I H31468 [1,1,0,0,0,0|1,0,0]=3 1079 B10R1.113 c1cnc(cc1C(=O)N)N L19843 [1,1,0,0,0,0|1,0,0]=3 1080 B10R1.113 c1cnc(cc1C(=O)O)Br L19855 [1,1,0,0,0,0|2,0,0]=4 1081 B10R1.113 c1cnc(cc1C(=O)O)Cl L19449 [1,1,0,0,0,0|2,0,0]=4 1082 B10R1.113 c1cnc(cc1C(=O)O)F 44755 [1,1,0,0,0,0|2,0,0]=4 1083 B10R1.113 c1cnc(cc1C(=O)O)I H31002 [1,1,0,0,0,0|2,0,0]=4 1084 B10R1.113 c1cnc(cc1C(=O)O)N L19845 [1,1,0,0,0,0|2,0,0]=4 1085 B10R1.113 c1cnc(cc1C(=O)O)O H64241 [1,1,0,0,0,0|2,0,0]=4 1086 B10R1.113 c1cnc(cc1C(=S)N)Cl H52263 [1,1,0,0,0,0|1,1,0]=4 1087 B10R1.113 c1cnc(cc1Cl)C(=O)N H65265 [1,1,0,0,0,0|1,0,0]=3 1088 B10R1.113 c1cnc(cc1Cl)C(=O)O H32301 [1,1,0,0,0,0|2,0,0]=4 1089 B10R1.113 c1cnc(cc1O)C(=O)O H34262 [1,1,0,0,0,0|2,0,0]=4 1090 B10R1.2 CCc1cccc(c1O)C B25213 [1,1,0,0,0,0|1,0,1]=4 1091 B10R1.2 COc1cccc(c1O)Br B25535 [1,1,0,0,0,0|2,0,0]=4 1092 B10R1.2 COc1cccc(c1O)F H26471 [1,1,0,0,0,0|2,0,0]=4 1093 B10R1.2 COc1cccc(c1O)O B20006 [1,1,0,0,0,0|2,0,0]=4 1094 B10R1.2 Cc1c(cccc1F)C=O H64268 [1,1,0,0,0,0|1,0,0]=3 1095 B10R1.2 Cc1c(cccc1F)CN H26237 [1,1,0,0,0,0|1,0,1]=4 1096 B10R1.2 Cc1cccc(c1C)C=O H64425 [1,1,0,0,0,0|1,0,0]=3 1097 B10R1.2 Cc1cccc(c1C)NN A16526 [1,1,0,0,0,0|2,0,0]=4 1098 B10R1.2 c1cc(c(c(c1)Br)F)C=O H64650 [1,1,0,0,0,0|1,0,0]=3 1099 B10R1.2 c1cc(c(c(c1)Br)O)C#N H66401 [1,1,0,0,0,0|0,0,2]=4 1100 B10R1.2 c1cc(c(c(c1)Cl)Cl)C=O A10118 [1,1,0,0,0,0|1,0,0]=3 1101 B10R1.2 c1cc(c(c(c1)Cl)Cl)CN L11884 [1,1,0,0,0,0|1,0,1]=4 1102 B10R1.2 c1cc(c(c(c1)Cl)Cl)NN A10717 [1,1,0,0,0,0|2,0,0]=4 1103 B10R1.2 c1cc(c(c(c1)Cl)F)C=O B22975 [1,1,0,0,0,0|1,0,0]=3 1104 B10R1.2 c1cc(c(c(c1)Cl)F)CN L19227 [1,1,0,0,0,0|1,0,1]=4 1105 B10R1.2 c1cc(c(c(c1)F)Br)C=O H64400 [1,1,0,0,0,0|1,0,0]=3 1106 B10R1.2 c1cc(c(c(c1)F)Cl)C=O H34238 [1,1,0,0,0,0|1,0,0]=3 1107 B10R1.2 c1cc(c(c(c1)F)F)C=O B20093 [1,1,0,0,0,0|1,0,0]=3 1108 B10R1.2 c1cc(c(c(c1)F)F)CN B20420 [1,1,0,0,0,0|1,0,1]=4 1109 B10R1.2 c1cc(c(c(c1)F)O)C=O L19324 [1,1,0,0,0,0|0,0,0]=2 1110 B10R1.2 c1cc(c(c(c1)O)O)C=O A13490 [1,1,0,0,0,0|0,0,0]=2 1111 B10R1.2 c1cnc(c(c1C=O)F)Cl H61866 [1,1,0,0,0,0|2,0,0]=4 1112 B10R1.2 c1cnc(c(c1C=O)O)Br H55187 [1,1,0,0,0,0|1,0,0]=3 1113 B10R1.4 C=CCc1ccccc1O A10755 [1,1,0,0,0,0|1,0,0]=3 1114 B10R1.4 CCCc1ccccc1O A11088 [1,1,0,0,0,0|1,0,1]=4 1115 B10R1.4 CCOc1ccccc1O B24755 [1,1,0,0,0,0|1,0,1]=4 1116 B10R1.4 CNCc1ccccc1Br H63390 [1,1,0,0,0,0|1,0,1]=4 1117 B10R1.4 CNCc1ccccc1Cl H54680 [1,1,0,0,0,0|1,0,1]=4 1118 B10R1.4 CNCc1ccccc1F H54439 [1,1,0,0,0,0|1,0,1]=4 1119 B10R1.4 Cc1ccccc1CCN H28320 [1,1,0,0,0,0|1,0,1]=4 1120 B10R1.4 Cc1ccccc1CNC H63956 [1,1,0,0,0,0|1,0,1]=4 1121 B10R1.4 Cc1ccccc1N=C=O L12247 [1,1,0,0,0,0|1,0,1]=4 1122 B10R1.4 Cc1ccccc1NC=O B25134 [1,1,0,0,0,0|1,0,0]=3 1123 B10R1.4 c1ccc(c(c1)CCN)Br H60739 [1,1,0,0,0,0|1,0,1]=4 1124 B10R1.4 c1ccc(c(c1)N=C=O)Br L12521 [1,1,0,0,0,0|1,0,1]=4 1125 B10R1.4 c1ccc(c(c1)N=C=O)Cl B21489 [1,1,0,0,0,0|1,0,1]=4 1126 B10R1.4 c1ccc(c(c1)N=C=O)F A17466 [1,1,0,0,0,0|1,0,1]=4 1127 B10R1.4 c1ccc(c(c1)\C=N\N)O B22878 [1,1,0,0,0,0|0,0,0]=2 1128 B10R1.4 c1ccc(c(c1)\C=N\O)Br B23023 [1,1,0,0,0,0|1,0,1]=4 1129 B10R1.4 c1ccc(c(c1)\C=N\O)O A11080 [1,1,0,0,0,0|0,0,1]=3 1130 B10R1.20 C=Cc1ccccc1C=C 42804 [1,1,0,0,0,0|2,0,0]=4 1131 B10R1.20 C=Cc1ccccc1C=C 42805 [1,1,0,0,0,0|2,0,0]=4 1132 B10R1.20 CCc1ccccc1NN A16853 [1,1,0,0,0,0|2,0,0]=4 1133 B10R1.20 COc1c(cccn1)C=O H50087 [1,1,0,0,0,0|1,0,0]=3 1134 B10R1.20 COc1ccccc1C#N L01293 [1,1,0,0,0,0|0,0,2]=4 1135 B10R1.20 COc1ccccc1C=O A10770 [1,1,0,0,0,0|0,0,0]=2 1136 B10R1.20 COc1ccccc1CN L02273 [1,1,0,0,0,0|0,0,1]=3 1137 B10R1.20 COc1ccccc1CO A14016 [1,1,0,0,0,0|0,0,2]=4 1138 B10R1.20 COc1ccccc1C[Mg+] H54177 [1,1,0,0,0,0|1,0,1]=4 1139 B10R1.20 COc1ccccc1OC A11985 [1,1,0,0,0,0|2,0,0]=4 1140 B10R1.20 c1ccc(c(c1)C=O)C#N H29027 [1,1,0,0,0,0|1,0,0]=3 1141 B10R1.20 c1ccc(c(c1)C=O)C=O A13299 [1,1,0,0,0,0|0,0,1]=3 1142 B10R1.20 c1ccc(c(c1)CO)CO B23008 [1,1,0,0,0,0|0,0,2]=4 1143 B10R1.25 CCc1ccc(cc1O)O B21575 [1,1,0,0,0,0|1,0,1]=4 1144 B10R1.25 COc1ccc(cc1O)N L10234 [1,1,0,0,0,0|2,0,0]=4 1145 B10R1.25 Cc1cc(ccc1C=O)Br H61314 [1,1,0,0,0,0|1,0,0]=3 1146 B10R1.25 Cc1cc(ccc1C=O)F H26266 [1,1,0,0,0,0|1,0,0]=3 1147 B10R1.25 Cc1cc(ccc1CN)F H26624 [1,1,0,0,0,0|1,0,1]=4 1148 B10R1.25 Cc1ccc(c(c1)Br)C=O H27558 [1,1,0,0,0,0|1,0,0]=3 1149 B10R1.25 Cc1ccc(c(c1)C)C=C A14286 [1,1,0,0,0,0|2,0,0]=4 1150 B10R1.25 Cc1ccc(c(c1)C)C=O A14655 [1,1,0,0,0,0|1,0,0]=3 1151 B10R1.25 Cc1ccc(c(c1)C)NN B21009 [1,1,0,0,0,0|2,0,0]=4 1152 B10R1.25 Cc1ccc(c(c1)F)C=O H26626 [1,1,0,0,0,0|1,0,0]=3 1153 B10R1.25 Cc1ccc(c(c1)F)CN H26267 [1,1,0,0,0,0|1,0,1]=4 1154 B10R1.25 Cc1ccc(c(c1)O)C=O H33909 [1,1,0,0,0,0|0,0,0]=2 1155 B10R1.25 Cc1ccc(c(c1)O)OC L09044 [1,1,0,0,0,0|2,0,0]=4 1156 B10R1.25 c1cc(c(cc1Br)Cl)C=O H27418 [1,1,0,0,0,0|1,0,0]=3 1157 B10R1.25 c1cc(c(cc1Br)F)C=O A16112 [1,1,0,0,0,0|1,0,0]=3 1158 B10R1.25 c1cc(c(cc1Br)F)CN A15654 [1,1,0,0,0,0|1,0,1]=4 1159 B10R1.25 c1cc(c(cc1Br)O)C=O H54850 [1,1,0,0,0,0|0,0,0]=2 1160 B10R1.25 c1cc(c(cc1Cl)Cl)C=O A12525 [1,1,0,0,0,0|1,0,0]=3 1161 B10R1.25 c1cc(c(cc1Cl)Cl)CN A13207 [1,1,0,0,0,0|1,0,1]=4 1162 B10R1.25 c1cc(c(cc1Cl)Cl)NN A10943 [1,1,0,0,0,0|2,0,0]=4 1163 B10R1.25 c1cc(c(cc1Cl)F)C=O A16110 [1,1,0,0,0,0|1,0,0]=3 1164 B10R1.25 c1cc(c(cc1Cl)F)CN H26352 [1,1,0,0,0,0|1,0,1]=4 1165 B10R1.25 c1cc(c(cc1Cl)F)CN L13488 [1,1,0,0,0,0|1,0,1]=4 1166 B10R1.25 c1cc(c(cc1F)Br)CN H62200 [1,1,0,0,0,0|1,0,1]=4 1167 B10R1.25 c1cc(c(cc1F)Cl)C=O A15345 [1,1,0,0,0,0|1,0,0]=3 1168 B10R1.25 c1cc(c(cc1F)Cl)CN L12957 [1,1,0,0,0,0|1,0,1]=4 1169 B10R1.25 c1cc(c(cc1F)F)C=O A17052 [1,1,0,0,0,0|1,0,0]=3 1170 B10R1.25 c1cc(c(cc1F)F)CN B20985 [1,1,0,0,0,0|1,0,1]=4 1171 B10R1.25 c1cc(c(cc1F)F)NN A11625 [1,1,0,0,0,0|2,0,0]=4 1172 B10R1.25 c1cc(c(cc1F)O)C=O H26149 [1,1,0,0,0,0|0,0,0]=2 1173 B10R1.25 c1cc(c(cc1O)Cl)C=O H55771 [1,1,0,0,0,0|1,0,0]=3 1174 B10R1.25 c1cc(c(cc1O)F)C=O H26218 [1,1,0,0,0,0|1,0,0]=3 1175 B10R1.25 c1cc(c(cc1O)O)C=O A12868 [1,1,0,0,0,0|0,0,0]=2 1176 B10R1.25 c1cc(nc(c1C=O)F)F H64422 [1,1,0,0,0,0|2,0,0]=4 1177 B10R1.30 COc1cc(ccc1O)Br L08801 [1,1,0,0,0,0|2,0,0]=4 1178 B10R1.30 COc1cc(ccc1O)Cl A14806 [1,1,0,0,0,0|2,0,0]=4 1179 B10R1.30 COc1cc(ccc1O)F B22211 [1,1,0,0,0,0|2,0,0]=4 1180 B10R1.30 COc1cc(ccc1O)O A12847 [1,1,0,0,0,0|2,0,0]=4 1181 B10R1.30 Cc1cc(c(nc1)N)C=O H66175 [1,1,0,0,0,0|2,0,0]=4 1182 B10R1.30 Cc1ccc(c(c1)C=C)C B21476 [1,1,0,0,0,0|2,0,0]=4 1183 B10R1.30 Cc1ccc(c(c1)C=O)C L01924 [1,1,0,0,0,0|1,0,0]=3 1184 B10R1.30 Cc1ccc(c(c1)C=O)F H26661 [1,1,0,0,0,0|1,0,0]=3 1185 B10R1.30 Cc1ccc(c(c1)CN)F H26652 [1,1,0,0,0,0|1,0,1]=4 1186 B10R1.30 Cc1ccc(c(c1)NN)C L12496 [1,1,0,0,0,0|2,0,0]=4 1187 B10R1.30 Cc1ccc(c(c1)OC)O A13603 [1,1,0,0,0,0|2,0,0]=4 1188 B10R1.30 Cc1ccc(cc1C=O)F H26799 [1,1,0,0,0,0|1,0,0]=3 1189 B10R1.30 Cc1ccc(cc1CN)F H26613 [1,1,0,0,0,0|1,0,1]=4 1190 B10R1.30 Cc1ccc(cc1NN)F L09362 [1,1,0,0,0,0|2,0,0]=4 1191 B10R1.30 c1c(cnc(c1C=O)F)Br H61123 [1,1,0,0,0,0|2,0,0]=4 1192 B10R1.30 c1c(cnc(c1C=O)N)I H50006 [1,1,0,0,0,0|2,0,0]=4 1193 B10R1.30 c1cc(c(cc1Br)C#N)O H55333 [1,1,0,0,0,0|0,0,2]=4 1194 B10R1.30 c1cc(c(cc1Br)C=O)Br H31689 [1,1,0,0,0,0|1,0,0]=3 1195 B10R1.30 c1cc(c(cc1Br)C=O)Cl H64438 [1,1,0,0,0,0|1,0,0]=3 1196 B10R1.30 c1cc(c(cc1Br)C=O)F A14219 [1,1,0,0,0,0|1,0,0]=3 1197 B10R1.30 c1cc(c(cc1Br)C=O)N H33491 [1,1,0,0,0,0|1,0,0]=3 1198 B10R1.30 c1cc(c(cc1Br)C=O)O A11917 [1,1,0,0,0,0|0,0,0]=2 1199 B10R1.30 c1cc(c(cc1Br)CN)F B25176 [1,1,0,0,0,0|1,0,1]=4 1200 B10R1.30 c1cc(c(cc1Br)CO)O A12344 [1,1,0,0,0,0|0,0,2]=4 1201 B10R1.30 c1cc(c(cc1Cl)C=O)Br H64330 [1,1,0,0,0,0|1,0,0]=3 1202 B10R1.30 c1cc(c(cc1Cl)C=O)Cl A13525 [1,1,0,0,0,0|1,0,0]=3 1203 B10R1.30 c1cc(c(cc1Cl)C=O)F H26187 [1,1,0,0,0,0|1,0,0]=3 1204 B10R1.30 c1cc(c(cc1Cl)C=O)N L17515 [1,1,0,0,0,0|1,0,0]=3 1205 B10R1.30 c1cc(c(cc1Cl)C=O)O A14069 [1,1,0,0,0,0|0,0,0]=2 1206 B10R1.30 c1cc(c(cc1Cl)CN)Cl L11972 [1,1,0,0,0,0|1,0,1]=4 1207 B10R1.30 c1cc(c(cc1Cl)CN)F L19145 [1,1,0,0,0,0|1,0,1]=4 1208 B10R1.30 c1cc(c(cc1Cl)CO)O H32533 [1,1,0,0,0,0|0,0,2]=4 1209 B10R1.30 c1cc(c(cc1Cl)NN)Cl A15279 [1,1,0,0,0,0|2,0,0]=4 1210 B10R1.30 c1cc(c(cc1Cl)NN)Cl L06708 [1,1,0,0,0,0|2,0,0]=4 1211 B10R1.30 c1cc(c(cc1F)C=O)Br B25071 [1,1,0,0,0,0|1,0,0]=3 1212 B10R1.30 c1cc(c(cc1F)C=O)F L08504 [1,1,0,0,0,0|1,0,0]=3 1213 B10R1.30 c1cc(c(cc1F)C=O)O 43844 [1,1,0,0,0,0|0,0,0]=2 1214 B10R1.30 c1cc(c(cc1F)C=O)O B25724 [1,1,0,0,0,0|0,0,0]=2 1215 B10R1.30 c1cc(c(cc1F)CN)Cl H26810 [1,1,0,0,0,0|1,0,1]=4 1216 B10R1.30 c1cc(c(cc1F)CN)F A16530 [1,1,0,0,0,0|1,0,1]=4 1217 B10R1.30 c1cc(c(cc1F)NN)F B21259 [1,1,0,0,0,0|2,0,0]=4 1218 B10R1.30 c1cc(c(cc1F)NN)F L10359 [1,1,0,0,0,0|2,0,0]=4 1219 B10R1.30 c1cc(c(cc1I)C=O)F H32033 [1,1,0,0,0,0|1,0,0]=3 1220 B10R1.30 c1cc(c(cc1O)C=O)Br H64884 [1,1,0,0,0,0|1,0,0]=3 1221 B10R1.30 c1cc(c(cc1O)C=O)O A15565 [1,1,0,0,0,0|0,0,0]=2 1222 B10R1.245 C=Cc1c(cccc1Cl)Cl L07860 [1,1,0,0,0,0|2,0,0]=4 1223 B10R1.245 Cc1cccc(c1C=O)C H64503 [1,1,0,0,0,0|1,0,0]=3 1224 B10R1.245 Cc1cccc(c1C=O)Cl H26023 [1,1,0,0,0,0|1,0,0]=3 1225 B10R1.245 Cc1cccc(c1C=O)F H55228 [1,1,0,0,0,0|1,0,0]=3 1226 B10R1.245 Cc1cccc(c1CN)Cl L11249 [1,1,0,0,0,0|1,0,1]=4 1227 B10R1.245 c1cc(c(c(c1)Br)C=O)Cl H64605 [1,1,0,0,0,0|1,0,0]=3 1228 B10R1.245 c1cc(c(c(c1)Br)C=O)F H64689 [1,1,0,0,0,0|1,0,0]=3 1229 B10R1.245 c1cc(c(c(c1)Br)CN)F H62086 [1,1,0,0,0,0|1,0,1]=4 1230 B10R1.245 c1cc(c(c(c1)Cl)C=O)Cl A13295 [1,1,0,0,0,0|1,0,0]=3 1231 B10R1.245 c1cc(c(c(c1)Cl)C=O)F A10513 [1,1,0,0,0,0|1,0,0]=3 1232 B10R1.245 c1cc(c(c(c1)Cl)CN)Cl H29274 [1,1,0,0,0,0|1,0,1]=4 1233 B10R1.245 c1cc(c(c(c1)Cl)CN)F L19144 [1,1,0,0,0,0|1,0,1]=4 1234 B10R1.245 c1cc(c(c(c1)Cl)N=O)Cl B22830 [1,1,0,0,0,0|2,0,0]=4 1235 B10R1.245 c1cc(c(c(c1)Cl)NN)Cl A11968 [1,1,0,0,0,0|2,0,0]=4 1236 B10R1.245 c1cc(c(c(c1)F)C#N)O L19893 [1,1,0,0,0,0|0,0,2]=4 1237 B10R1.245 c1cc(c(c(c1)F)C=O)F A18099 [1,1,0,0,0,0|1,0,0]=3 1238 B10R1.245 c1cc(c(c(c1)F)C=O)O L19900 [1,1,0,0,0,0|0,0,0]=2 1239 B10R1.245 c1cc(c(c(c1)F)CN)F A17169 [1,1,0,0,0,0|1,0,1]=4 1240 B10R1.245 c1cnc(c(c1Cl)C=O)Cl H34053 [1,1,0,0,0,0|2,0,0]=4 1241 B10R1.245 c1cnc(c(c1I)C=O)Cl H50048 [1,1,0,0,0,0|2,0,0]=4 1242 B10R1.149 COC(=O)c1c(ccs1)O B22129 [0,1,0,0,1,0|2,0,0]=4 1243 B10R1.192 C1=CC(=O)N(C1=O)C(=O)N A13685 [0,1,0,0,1,0|1,0,1]=4 1244 B10R1.192 Cc1csc(c1C(=O)N)N B20043 [0,1,0,0,1,0|2,0,0]=4 1245 B12R1.75 CC(=O)Cc1ccccc1OC B24495 [0,1,0,0,0,1|1,0,0]=3 1246 B12R1.75 CC(=O)Oc1ccccc1OC B20242 [0,1,0,0,0,1|1,0,0]=3 1247 B12R1.75 COc1ccccc1CC(=O)O A15211 [0,1,0,0,0,1|1,0,0]=3 1248 B12R1.75 COc1ccccc1CC(=S)N H31541 [0,1,0,0,0,1|0,1,0]=3 1249 B12R1.75 COc1ccccc1NC(=S)N L11840 [0,1,0,0,0,1|0,1,0]=3 1250 B12R1.124 CC(=O)N(C)c1ccccc1Cl B25282 [0,1,0,0,0,1|2,0,0]=4 1251 B12R1.124 c1ccc(c(c1)C(C(=O)O)Br)Cl B25518 [0,1,0,0,0,1|2,0,0]=4 1252 B12R1.124 c1ccc(c(c1)C(C(=O)O)O)Cl B21525 [0,1,0,0,0,1|2,0,0]=4 1253 B12R1.124 c1ccc(c(c1)C(C(=O)O)O)F B25689 [0,1,0,0,0,1|2,0,0]=4 1254 B12R1.124 c1ccc(c(c1)[C@@H](C(=O)O)O)Cl H61152 [0,1,0,0,0,1|2,0,0]=4 1255 B12R1.124 c1ccc(c(c1)[C@H](C(=O)O)O)Cl L19586 [0,1,0,0,0,1|2,0,0]=4 1256 B12R1.127 Cc1ccc(c(c1)CC(=O)O)C L02022 [0,1,0,0,0,1|2,0,0]=4 1257 B12R1.127 Cc1ccc(c(c1)CC(=O)O)F H26482 [0,1,0,0,0,1|2,0,0]=4 1258 B12R1.127 Cc1ccc(c(c1)NC(=O)C)O B20630 [0,1,0,0,0,1|1,0,0]=3 1259 B12R1.127 Cc1ccc(cc1CC(=O)O)F H26390 [0,1,0,0,0,1|2,0,0]=4 1260 B12R1.127 Cc1ccc(cc1NC(=S)N)F B20423 [0,1,0,0,0,1|1,1,0]=4 1261 B12R1.127 c1cc(c(cc1Cl)CC(=O)O)F H26443 [0,1,0,0,0,1|2,0,0]=4 1262 B12R1.127 c1cc(c(cc1Cl)NC(=S)N)Cl L11984 [0,1,0,0,0,1|1,1,0]=4 1263 B12R1.127 c1cc(c(cc1F)CC(=O)O)Br H62005 [0,1,0,0,0,1|2,0,0]=4 1264 B12R1.127 c1cc(c(cc1F)CC(=O)O)Cl H26803 [0,1,0,0,0,1|2,0,0]=4 1265 B12R1.127 c1cc(c(cc1F)CC(=O)O)F B21595 [0,1,0,0,0,1|2,0,0]=4 1266 B12R1.127 c1cc(c(cc1F)NC(=S)N)F L12223 [0,1,0,0,0,1|1,1,0]=4 1267 B12R1.127 c1cc(c(cc1O)CC(=O)O)O H60742 [0,1,0,0,0,1|1,0,0]=3 1268 B12R1.224 Cc1c(cccc1Cl)NC(=O)C B22562 [0,1,0,0,0,1|2,0,0]=4 1269 B12R1.224 Cc1c(cccc1F)CC(=O)O H26303 [0,1,0,0,0,1|2,0,0]=4 1270 B12R1.224 Cc1cccc(c1C)CC(=O)O H63947 [0,1,0,0,0,1|2,0,0]=4 1271 B12R1.224 Cc1cccc(c1C)NC(=S)N L11323 [0,1,0,0,0,1|1,1,0]=4 1272 B12R1.224 c1cc(c(c(c1)Cl)Cl)CC(=O)O H32763 [0,1,0,0,0,1|2,0,0]=4 1273 B12R1.224 c1cc(c(c(c1)Cl)Cl)CC(=S)N H34058 [0,1,0,0,0,1|1,1,0]=4 1274 B12R1.224 c1cc(c(c(c1)Cl)F)CC(=O)O H26465 [0,1,0,0,0,1|2,0,0]=4 1275 B12R1.224 c1cc(c(c(c1)F)F)CC(=O)O A16728 [0,1,0,0,0,1|2,0,0]=4 1276 B12R1.233 CC(=O)Nc1ccc(cc1Br)F B25133 [0,1,0,0,0,1|2,0,0]=4 1277 B12R1.233 CC(=O)Nc1ccc(cc1Cl)Br A18652 [0,1,0,0,0,1|2,0,0]=4 1278 B12R1.233 CC(=O)Nc1ccc(cc1Cl)Cl B21795 [0,1,0,0,0,1|2,0,0]=4 1279 B12R1.233 CC(=O)Nc1ccc(cc1Cl)F B21762 [0,1,0,0,0,1|2,0,0]=4 1280 B12R1.233 CC(=O)Nc1ccc(cc1Cl)N B25602 [0,1,0,0,0,1|2,0,0]=4 1281 B12R1.233 CC(=O)Nc1ccc(cc1F)Br A15723 [0,1,0,0,0,1|2,0,0]=4 1282 B12R1.233 CC(=O)Nc1ccc(cc1F)Cl A16940 [0,1,0,0,0,1|2,0,0]=4 1283 B12R1.233 CC(=O)Nc1ccc(cc1F)F A10490 [0,1,0,0,0,1|2,0,0]=4 1284 B12R1.233 Cc1cc(ccc1CC(=O)O)F H26365 [0,1,0,0,0,1|2,0,0]=4 1285 B12R1.233 Cc1cc(ccc1NC(=O)C)Br A18980 [0,1,0,0,0,1|2,0,0]=4 1286 B12R1.233 Cc1cc(ccc1NC(=O)C)Cl B22371 [0,1,0,0,0,1|2,0,0]=4 1287 B12R1.233 Cc1cc(ccc1NC(=S)N)Br L09619 [0,1,0,0,0,1|1,1,0]=4 1288 B12R1.233 Cc1ccc(c(c1)Br)NC(=O)C B22213 [0,1,0,0,0,1|2,0,0]=4 1289 B12R1.233 Cc1ccc(c(c1)Br)NC(=S)N L11774 [0,1,0,0,0,1|1,1,0]=4 1290 B12R1.233 Cc1ccc(c(c1)C)CC(=O)O H50284 [0,1,0,0,0,1|2,0,0]=4 1291 B12R1.233 Cc1ccc(c(c1)C)NC(=O)C H55605 [0,1,0,0,0,1|2,0,0]=4 1292 B12R1.233 Cc1ccc(c(c1)C)NC(=O)N B25668 [0,1,0,0,0,1|1,0,0]=3 1293 B12R1.233 Cc1ccc(c(c1)C)NC(=S)N L12206 [0,1,0,0,0,1|1,1,0]=4 1294 B12R1.233 Cc1ccc(c(c1)F)CC(=O)O H26647 [0,1,0,0,0,1|2,0,0]=4 1295 B12R1.233 Cc1ccc(c(c1)O)NC(=O)C H66423 [0,1,0,0,0,1|1,0,0]=3 1296 B12R1.233 c1cc(c(cc1Br)F)CC(=O)O H61176 [0,1,0,0,0,1|2,0,0]=4 1297 B12R1.233 c1cc(c(cc1Cl)Cl)CC(=O)O A11791 [0,1,0,0,0,1|2,0,0]=4 1298 B12R1.233 c1cc(c(cc1Cl)Cl)CC(=S)N H26672 [0,1,0,0,0,1|1,1,0]=4 1299 B12R1.233 c1cc(c(cc1Cl)Cl)NC(=S)N L11314 [0,1,0,0,0,1|1,1,0]=4 1300 B12R1.233 c1cc(c(cc1Cl)F)CC(=O)O H26512 [0,1,0,0,0,1|2,0,0]=4 1301 B12R1.233 c1cc(c(cc1F)Cl)CC(=O)O B22872 [0,1,0,0,0,1|2,0,0]=4 1302 B12R1.233 c1cc(c(cc1F)F)CC(=O)O B20431 [0,1,0,0,0,1|2,0,0]=4 1303 B12R1.233 c1cc(c(cc1F)F)NC(=S)N A16945 [0,1,0,0,0,1|1,1,0]=4 1304 B12R1.371 Cc1ccccc1CC(=O)OC L09877 [0,1,0,0,0,1|2,0,0]=4 1305 B12R1.371 Cc1ccccc1NC(=S)NN L09382 [0,1,0,0,0,1|1,1,0]=4 1306 B12R1.371 c1ccc(c(c1)NC(=S)NN)Cl L12249 [0,1,0,0,0,1|1,1,0]=4 1307 B12R1.371 c1ccc(c(c1)NC(=S)NN)F L12920 [0,1,0,0,0,1|1,1,0]=4 1308 B12R1.1009 CC(=O)Nc1c(cccc1Cl)Cl A15195 [0,1,0,0,0,1|2,0,0]=4 1309 B12R1.1009 Cc1cccc(c1NC(=O)C)C B25687 [0,1,0,0,0,1|2,0,0]=4 1310 B12R1.1009 Cc1cccc(c1NC(=S)N)C L12998 [0,1,0,0,0,1|1,1,0]=4 1311 B12R1.1009 c1cc(c(c(c1)Cl)CC(=O)O)Cl B21354 [0,1,0,0,0,1|2,0,0]=4 1312 B12R1.1009 c1cc(c(c(c1)Cl)CC(=O)O)F A10460 [0,1,0,0,0,1|2,0,0]=4 1313 B12R1.1009 c1cc(c(c(c1)Cl)CC(=S)N)Cl H26746 [0,1,0,0,0,1|1,1,0]=4 1314 B12R1.1009 c1cc(c(c(c1)Cl)NC(=S)N)Cl A18117 [0,1,0,0,0,1|1,1,0]=4 1315 B12R1.1009 c1cc(c(c(c1)F)CC(=O)O)F A18063 [0,1,0,0,0,1|2,0,0]=4 1316 B12R1.46 CC(=O)c1cc(ccc1OC)F H26108 [0,2,0,0,0,0|1,0,0]=3 1317 B12R1.46 COc1c(cc(cn1)Br)C(=O)O H50065 [0,2,0,0,0,0|2,0,0]=4 1318 B12R1.46 COc1c(cc(cn1)F)C(=O)O H64267 [0,2,0,0,0,0|2,0,0]=4 1319 B12R1.46 COc1ccc(cc1C(=O)N)F H31588 [0,2,0,0,0,0|0,0,0]=2 1320 B12R1.46 COc1ccc(cc1C(=O)O)Cl B24974 [0,2,0,0,0,0|1,0,0]=3 1321 B12R1.46 COc1ccc(cc1C(=O)O)F H32389 [0,2,0,0,0,0|1,0,0]=3 1322 B12R1.46 COc1ccc(cc1[N+](=O)[O-])Br H64877 [0,2,0,0,0,0|2,0,0]=4 1323 B12R1.46 COc1ccc(cc1[N+](=O)[O-])Cl B24610 [0,2,0,0,0,0|2,0,0]=4 1324 B12R1.46 COc1ccc(cc1[N+](=O)[O-])F H61110 [0,2,0,0,0,0|2,0,0]=4 1325 B12R1.46 COc1ccc(cc1[N+](=O)[O-])I B25666 [0,2,0,0,0,0|2,0,0]=4 1326 B12R1.57 CC(=O)c1ccc(cc1OC)F L09862 [0,2,0,0,0,0|1,0,0]=3 1327 B12R1.57 COc1cc(ccc1C(=O)O)Cl B21332 [0,2,0,0,0,0|1,0,0]=3 1328 B12R1.57 COc1cc(ccc1C(=O)O)F H26179 [0,2,0,0,0,0|1,0,0]=3 1329 B12R1.57 COc1cc(ccc1C(=O)O)N H27419 [0,2,0,0,0,0|1,0,0]=3 1330 B12R1.76 COc1ccccc1S(=O)(=O)Cl H34455 [0,2,0,0,0,0|2,0,0]=4 1331 B12R1.77 CNC(=O)c1ccccc1OC H56836 [0,2,0,0,0,0|0,0,0]=2 1332 B12R1.77 CNc1ccccc1C(=O)OC B20233 [0,2,0,0,0,0|2,0,0]=4 1333 B12R1.77 COC(=O)c1ccccc1SC A10905 [0,2,0,0,0,0|1,1,0]=4 1334 B12R1.77 COc1ccccc1C(=O)CBr L07696 [0,2,0,0,0,0|1,0,0]=3 1335 B12R1.77 COc1ccccc1C(=O)NN A13619 [0,2,0,0,0,0|0,0,0]=2 1336 B12R1.77 COc1ccccc1C(=O)OC A17703 [0,2,0,0,0,0|1,0,0]=3 1337 B12R1.87 CC(=O)c1cccc(c1OC)F H31909 [0,2,0,0,0,0|1,0,0]=3 1338 B12R1.87 COc1c(cccc1F)C(=O)Cl H32951 [0,2,0,0,0,0|1,0,0]=3 1339 B12R1.87 COc1c(cccc1F)C(=O)N H31949 [0,2,0,0,0,0|0,0,0]=2 1340 B12R1.87 COc1c(cccc1F)C(=O)O H26164 [0,2,0,0,0,0|1,0,0]=3 1341 B12R1.261 B(c1ccccc1C(=O)C)(O)O H27327 [0,2,0,0,0,0|1,0,0]=3 1342 B12R1.261 B(c1ccccc1C(=O)N)(O)O H52642 [0,2,0,0,0,0|0,0,0]=2 1343 B12R1.261 B(c1ccccc1C(=O)O)(O)O L16301 [0,2,0,0,0,0|1,0,0]=3 1344 B12R1.261 B(c1ccccc1S(=O)C)(O)O H53209 [0,2,0,0,0,0|2,0,0]=4 1345 B12R1.261 B(c1ccccc1[N+](=O)[O-])(O)O L17988 [0,2,0,0,0,0|2,0,0]=4 1346 B12R1.261 CC(=O)c1ccccc1C(=O)O A10216 [0,2,0,0,0,0|1,0,0]=3 1347 B12R1.261 CC(=O)c1ccccc1[N+](=O)[O-] A13208 [0,2,0,0,0,0|1,0,1]=4 1348 B12R1.261 CN(C)c1ccccc1C(=O)O A12967 [0,2,0,0,0,0|2,0,0]=4 1349 B12R1.261 CS(=O)c1ccccc1C(=O)O H27144 [0,2,0,0,0,0|1,0,1]=4 1350 B12R1.261 c1cc(c(nc1)C(=O)O)C(=O)O A11414 [0,2,0,0,0,0|2,0,0]=4 1351 B12R1.261 c1ccc(c(c1)C(=O)Cl)C(=O)Cl L08753 [0,2,0,0,0,0|1,0,1]=4 1352 B12R1.261 c1ccc(c(c1)C(=O)N)C(=O)N L08600 [0,2,0,0,0,0|0,0,1]=3 1353 B12R1.261 c1ccc(c(c1)C(=O)N)C(=O)O L12432 [0,2,0,0,0,0|0,0,0]=2 1354 B12R1.261 c1ccc(c(c1)C(=O)N)[N+](=O)[O-] A14084 [0,2,0,0,0,0|0,0,1]=3 1355 B12R1.261 c1ccc(c(c1)C(=O)O)C(=O)O 41770 [0,2,0,0,0,0|1,0,0]=3 1356 B12R1.261 c1ccc(c(c1)C(=O)O)C(=O)O A14450 [0,2,0,0,0,0|1,0,0]=3 1357 B12R1.261 c1ccc(c(c1)C(=O)O)C(=O)[O-] 41360 [0,2,0,0,0,0|1,0,0]=3 1358 B12R1.261 c1ccc(c(c1)C(=O)O)C(=O)[O-] A12895 [0,2,0,0,0,0|1,0,0]=3 1359 B12R1.261 c1ccc(c(c1)C(=O)O)[N+](=O)[O-] A10393 [0,2,0,0,0,0|1,0,1]=4 1360 B12R1.261 c1ccc(c(c1)C(=S)N)C(=S)N H51837 [0,2,0,0,0,0|0,2,0]=4 1361 B12R1.261 c1cncc(c1C(=O)O)C(=O)O A14580 [0,2,0,0,0,0|2,0,0]=4 1362 B12R1.283 CCOc1c(cccn1)C(=O)O B20887 [0,2,0,0,0,0|2,0,0]=4 1363 B12R1.283 CCOc1ccccc1C(=O)C B20113 [0,2,0,0,0,0|1,0,0]=3 1364 B12R1.283 CCOc1ccccc1C(=O)Cl L17686 [0,2,0,0,0,0|1,0,0]=3 1365 B12R1.283 CCOc1ccccc1C(=O)N B25455 [0,2,0,0,0,0|0,0,0]=2 1366 B12R1.283 CCOc1ccccc1C(=O)O A14758 [0,2,0,0,0,0|1,0,0]=3 1367 B12R1.283 CCOc1ccccc1C(=S)N H33353 [0,2,0,0,0,0|0,1,0]=3 1368 B12R1.283 c1ccc(c(c1)\C=N\O)[N+](=O)[O-] A14565 [0,2,0,0,0,0|2,0,0]=4 1369 B12R1.437 CC(=O)c1c(cccc1F)OC H26085 [0,2,0,0,0,0|1,0,0]=3 1370 B12R1.437 CC(=O)c1c(cccc1OC)O A18539 [0,2,0,0,0,0|1,0,0]=3 1371 B12R1.437 COc1cccc(c1C(=O)Cl)F H26137 [0,2,0,0,0,0|1,0,0]=3 1372 B12R1.437 COc1cccc(c1C(=O)N)F H32774 [0,2,0,0,0,0|0,0,0]=2 1373 B12R1.437 COc1cccc(c1C(=O)O)Br H31604 [0,2,0,0,0,0|1,0,0]=3 1374 B12R1.437 COc1cccc(c1C(=O)O)F H26060 [0,2,0,0,0,0|1,0,0]=3 1375 B12R1.437 COc1cccc(c1C(=O)O)N H34128 [0,2,0,0,0,0|1,0,0]=3 1376 B12R1.437 COc1cccc(c1C(=O)O)O H60397 [0,2,0,0,0,0|1,0,0]=3 1377 B12R1.437 Cc1cccc(c1[N+](=O)[O-])OC A18890 [0,2,0,0,0,0|2,0,0]=4 1378 B12R1.126 Cc1cc(ccc1S(=O)(=O)N)F H31768 [0,2,0,0,0,0|2,0,0]=4 1379 B12R1.126 c1cc(c(cc1Br)Cl)S(=O)(=O)N L19719 [0,2,0,0,0,0|2,0,0]=4 1380 B12R1.126 c1cc(c(cc1F)F)S(=O)(=O)N H55437 [0,2,0,0,0,0|2,0,0]=4 1381 B12R1.128 Cc1ccc(cc1S(=O)(=O)N)N H34056 [0,2,0,0,0,0|2,0,0]=4 1382 B12R1.128 c1cc(c(cc1Br)S(=O)(=O)N)Br H32584 [0,2,0,0,0,0|2,0,0]=4 1383 B12R1.128 c1cc(c(cc1Cl)S(=O)(=O)N)F H32144 [0,2,0,0,0,0|2,0,0]=4 1384 B12R1.128 c1cc(c(cc1Cl)S(=O)(=O)N)N B25726 [0,2,0,0,0,0|2,0,0]=4 1385 B12R1.128 c1cc(c(cc1F)S(=O)(=O)N)F H31556 [0,2,0,0,0,0|2,0,0]=4 1386 B12R1.128 c1cc(c(cc1O)S(=O)(=O)[O-])O L08406 [0,2,0,0,0,0|2,0,0]=4 1387 B12R1.195 CNS(=O)(=O)c1ccccc1Br H60233 [0,2,0,0,0,0|2,0,0]=4 1388 B12R1.228 c1cc(c(c(c1)Cl)Cl)S(=O)(=O)N H32489 [0,2,0,0,0,0|2,0,0]=4 1389 B12R1.228 c1cc(c(c(c1)Cl)F)S(=O)(=O)N H55350 [0,2,0,0,0,0|2,0,0]=4 1390 B12R1.1010 c1cc(c(c(c1)F)S(=O)(=O)N)F H27128 [0,2,0,0,0,0|2,0,0]=4 1391 B12R1.894 CC(=O)c1c(ccc(c1Cl)Cl)F H32663 [0,2,0,0,0,0|2,0,0]=4 1392 B12R1.894 CC(=O)c1c(ccc(c1Cl)F)Cl H26638 [0,2,0,0,0,0|2,0,0]=4 1393 B12R1.894 CC(=O)c1c(ccc(c1F)Cl)Cl H32149 [0,2,0,0,0,0|2,0,0]=4 1394 B12R1.894 CC(=O)c1c(ccc(c1F)Cl)F B24445 [0,2,0,0,0,0|2,0,0]=4 1395 B12R1.894 CC(=O)c1c(ccc(c1F)F)Cl H33516 [0,2,0,0,0,0|2,0,0]=4 1396 B12R1.894 CC(=O)c1c(ccc(c1F)F)F B20828 [0,2,0,0,0,0|2,0,0]=4 1397 B12R1.894 Cc1ccc(c(c1Cl)C(=O)C)F B24003 [0,2,0,0,0,0|2,0,0]=4 1398 B12R1.894 Cc1ccc(c(c1Cl)C(=O)Cl)F B24028 [0,2,0,0,0,0|2,0,0]=4 1399 B12R1.894 Cc1ccc(c(c1Cl)C(=O)N)F B23020 [0,2,0,0,0,0|1,0,0]=3 1400 B12R1.894 Cc1ccc(c(c1Cl)C(=O)O)F B23281 [0,2,0,0,0,0|2,0,0]=4 1401 B12R1.894 Cc1ccc(c(c1F)C(=O)C)Cl B23296 [0,2,0,0,0,0|2,0,0]=4 1402 B12R1.894 Cc1ccc(c(c1F)C(=O)C)F H26245 [0,2,0,0,0,0|2,0,0]=4 1403 B12R1.894 Cc1ccc(c(c1F)C(=O)Cl)Cl B23374 [0,2,0,0,0,0|2,0,0]=4 1404 B12R1.894 Cc1ccc(c(c1F)C(=O)Cl)F L18159 [0,2,0,0,0,0|2,0,0]=4 1405 B12R1.894 Cc1ccc(c(c1F)C(=O)N)Cl B23278 [0,2,0,0,0,0|1,0,0]=3 1406 B12R1.894 Cc1ccc(c(c1F)C(=O)O)Cl B23095 [0,2,0,0,0,0|2,0,0]=4 1407 B12R1.894 Cc1ccc(c(c1F)C(=O)O)F B23525 [0,2,0,0,0,0|2,0,0]=4 1408 B12R1.894 c1cc(c(c(c1Cl)C(=O)Cl)F)Cl H32887 [0,2,0,0,0,0|2,0,0]=4 1409 B12R1.894 c1cc(c(c(c1Cl)C(=O)N)F)Cl H32277 [0,2,0,0,0,0|1,0,0]=3 1410 B12R1.894 c1cc(c(c(c1Cl)C(=O)O)F)Cl H32666 [0,2,0,0,0,0|2,0,0]=4 1411 B12R1.894 c1cc(c(c(c1Cl)C(=O)O)N)Cl L12850 [0,2,0,0,0,0|2,0,0]=4 1412 B12R1.894 c1cc(c(c(c1F)C(=N)N)N)F H59788 [0,2,0,0,0,0|2,0,0]=4 1413 B12R1.894 c1cc(c(c(c1F)C(=O)Cl)Cl)F L18169 [0,2,0,0,0,0|2,0,0]=4 1414 B12R1.894 c1cc(c(c(c1F)C(=O)Cl)F)Cl L18244 [0,2,0,0,0,0|2,0,0]=4 1415 B12R1.894 c1cc(c(c(c1F)C(=O)Cl)F)F B20321 [0,2,0,0,0,0|2,0,0]=4 1416 B12R1.894 c1cc(c(c(c1F)C(=O)N)Cl)F B24510 [0,2,0,0,0,0|1,0,0]=3 1417 B12R1.894 c1cc(c(c(c1F)C(=O)N)F)Cl B24065 [0,2,0,0,0,0|1,0,0]=3 1418 B12R1.894 c1cc(c(c(c1F)C(=O)N)F)F L13043 [0,2,0,0,0,0|1,0,0]=3 1419 B12R1.894 c1cc(c(c(c1F)C(=O)O)Cl)Cl H26286 [0,2,0,0,0,0|2,0,0]=4 1420 B12R1.894 c1cc(c(c(c1F)C(=O)O)Cl)F B24105 [0,2,0,0,0,0|2,0,0]=4 1421 B12R1.894 c1cc(c(c(c1F)C(=O)O)F)Cl B23893 [0,2,0,0,0,0|2,0,0]=4 1422 B12R1.894 c1cc(c(c(c1F)C(=O)O)F)F B20666 [0,2,0,0,0,0|2,0,0]=4 1423 B12R1.894 c1cc(c(c(c1F)C(=O)O)O)F H32209 [0,2,0,0,0,0|1,0,0]=3 1424 B12R1.894 c1cc(c(c(c1F)F)C(=O)Cl)Cl H33875 [0,2,0,0,0,0|2,0,0]=4 1425 B12R1.894 c1cc(c(c(c1F)F)C(=O)N)Cl H33016 [0,2,0,0,0,0|1,0,0]=3 1426 B12R1.894 c1cc(c(c(c1F)F)C(=O)O)Cl H33595 [0,2,0,0,0,0|2,0,0]=4 1427 B12R1.894 c1cc(c(c(c1N)F)C(=O)O)F H66645 [0,2,0,0,0,0|2,0,0]=4 1428 B12R1.894 c1cc(c(c(c1O)C(=O)O)F)F H31634 [0,2,0,0,0,0|1,0,0]=3 1429 B12R1.1000 CC(=O)c1c(cc(cc1F)Cl)F H32711 [0,2,0,0,0,0|2,0,0]=4 1430 B12R1.1000 CC(=O)c1c(cc(cc1F)F)F H26198 [0,2,0,0,0,0|2,0,0]=4 1431 B12R1.1000 CC(=O)c1c(cc(cc1O)O)O L04156 [0,2,0,0,0,0|1,0,0]=3 1432 B12R1.1000 Cc1cc(c(c(c1)C)C(=O)C)C A11549 [0,2,0,0,0,0|2,0,0]=4 1433 B12R1.1000 Cc1cc(c(c(c1)C)C(=O)Cl)C A14407 [0,2,0,0,0,0|2,0,0]=4 1434 B12R1.1000 Cc1cc(c(c(c1)C)C(=O)O)C A11831 [0,2,0,0,0,0|2,0,0]=4 1435 B12R1.1000 Cc1cc(cc(c1C(=O)O)O)O H27556 [0,2,0,0,0,0|1,0,0]=3 1436 B12R1.1000 Cc1cc(nc(c1C(=S)N)O)C H52149 [0,2,0,0,0,0|1,1,0]=4 1437 B12R1.1000 c1c(cc(c(c1Cl)C(=O)Cl)Cl)Cl L14159 [0,2,0,0,0,0|2,0,0]=4 1438 B12R1.1000 c1c(cc(c(c1Cl)C(=O)O)Cl)Cl L14191 [0,2,0,0,0,0|2,0,0]=4 1439 B12R1.1000 c1c(cc(c(c1F)C(=O)Cl)F)F B20323 [0,2,0,0,0,0|2,0,0]=4 1440 B12R1.1000 c1c(cc(c(c1F)C(=O)N)F)Br H52327 [0,2,0,0,0,0|1,0,0]=3 1441 B12R1.1000 c1c(cc(c(c1F)C(=O)O)F)Br H26090 [0,2,0,0,0,0|2,0,0]=4 1442 B12R1.1000 c1c(cc(c(c1F)C(=O)O)F)Cl H26556 [0,2,0,0,0,0|2,0,0]=4 1443 B12R1.1000 c1c(cc(c(c1F)C(=O)O)F)F A19758 [0,2,0,0,0,0|2,0,0]=4 1444 B12R1.1000 c1c(cc(c(c1F)C(=O)O)F)O H26134 [0,2,0,0,0,0|2,0,0]=4 1445 B12R1.1000 c1c(cc(c(c1O)C(=O)O)O)O B22768 [0,2,0,0,0,0|1,0,0]=3 1446 B12R1.1000 c1c(cc(c(c1O)[N+](=O)[O-])O)O A13694 [0,2,0,0,0,0|2,0,0]=4 1447 B12R1.3441 CCC(=O)c1c(cccc1F)F B20097 [0,2,0,0,0,0|2,0,0]=4 1448 B12R1.3441 COC(=O)c1c(cccc1F)F L08063 [0,2,0,0,0,0|2,0,0]=4 1449 B12R1.24 CCC(=O)c1cccc(c1F)F B20032 [0,2,0,0,0,0|2,0,0]=4 1450 B12R1.24 COC(=O)c1cccc(c1F)Br H36865 [0,2,0,0,0,0|2,0,0]=4 1451 B12R1.24 COC(=O)c1cccc(c1O)N H33035 [0,2,0,0,0,0|1,0,0]=3 1452 B12R1.24 Cc1c(cccc1N)C(=O)OC H55579 [0,2,0,0,0,0|2,0,0]=4 1453 B12R1.24 Cc1cccc(c1Br)C(=O)OC H61831 [0,2,0,0,0,0|2,0,0]=4 1454 B12R1.24 Cc1cccc(c1N)C(=O)OC H61448 [0,2,0,0,0,0|2,0,0]=4 1455 B12R1.24 Cc1cccc(c1O)C(=O)NN L08980 [0,2,0,0,0,0|0,0,0]=2 1456 B12R1.24 Cc1cccc(c1O)C(=O)OC B21341 [0,2,0,0,0,0|1,0,0]=3 1457 B12R1.440 COc1cccc(c1O)C(=O)O L01658 [0,2,0,0,0,0|1,0,0]=3 1458 B12R1.440 Cc1c(cccc1OC)C(=O)O L18729 [0,2,0,0,0,0|2,0,0]=4 1459 B12R1.440 c1cc(c(c(c1)[N+](=O)[O-])O)C=O B23658 [0,2,0,0,0,0|2,0,0]=4 1460 B12R1.511 CC(=O)c1cc(cc(c1F)F)F H26828 [0,2,0,0,0,0|2,0,0]=4 1461 B12R1.511 CC(=O)c1cc(cc(c1O)Br)Br B22413 [0,2,0,0,0,0|1,0,0]=3 1462 B12R1.511 CC(=O)c1cc(cc(c1O)Cl)Cl L10006 [0,2,0,0,0,0|1,0,0]=3 1463 B12R1.511 CC(=O)c1cc(cc(c1O)F)F H32624 [0,2,0,0,0,0|1,0,0]=3 1464 B12R1.511 Cc1c(cc(cc1F)F)C(=O)N H33022 [0,2,0,0,0,0|1,0,0]=3 1465 B12R1.511 Cc1c(cc(cc1F)F)C(=O)O H31616 [0,2,0,0,0,0|2,0,0]=4 1466 B12R1.511 Cc1cc(c(c(c1)Br)N)C(=O)O A15443 [0,2,0,0,0,0|2,0,0]=4 1467 B12R1.511 Cc1cc(c(c(c1)C(=O)O)N)C L07003 [0,2,0,0,0,0|2,0,0]=4 1468 B12R1.511 Cc1cc(c(c(c1)[N+](=O)[O-])O)C B25205 [0,2,0,0,0,0|2,0,0]=4 1469 B12R1.511 Cc1cc(cc(c1Cl)C(=O)O)F H63165 [0,2,0,0,0,0|2,0,0]=4 1470 B12R1.511 c1c(cc(c(c1C(=O)O)F)F)F H26376 [0,2,0,0,0,0|2,0,0]=4 1471 B12R1.511 c1c(cc(c(c1C(=O)O)F)F)O H32405 [0,2,0,0,0,0|2,0,0]=4 1472 B12R1.511 c1c(cc(c(c1C(=O)O)I)I)I L02679 [0,2,0,0,0,0|2,0,0]=4 1473 B12R1.511 c1c(cc(c(c1C(=O)O)N)Br)Br L07419 [0,2,0,0,0,0|2,0,0]=4 1474 B12R1.511 c1c(cc(c(c1C(=O)O)N)Br)F H66628 [0,2,0,0,0,0|2,0,0]=4 1475 B12R1.511 c1c(cc(c(c1C(=O)O)N)Cl)Cl A16969 [0,2,0,0,0,0|2,0,0]=4 1476 B12R1.511 c1c(cc(c(c1C(=O)O)N)I)I A15308 [0,2,0,0,0,0|2,0,0]=4 1477 B12R1.511 c1c(cc(c(c1C(=O)O)O)Br)Br B25642 [0,2,0,0,0,0|1,0,0]=3 1478 B12R1.511 c1c(cc(c(c1C(=O)O)O)Cl)Cl B23641 [0,2,0,0,0,0|1,0,0]=3 1479 B12R1.511 c1c(cc(c(c1C(=O)O)O)F)F H32940 [0,2,0,0,0,0|1,0,0]=3 1480 B12R1.511 c1c(cc(c(c1C(=O)O)O)I)I A19786 [0,2,0,0,0,0|1,0,0]=3 1481 B12R1.511 c1c(cc(c(c1C(=O)[O-])O)I)I A15784 [0,2,0,0,0,0|1,0,0]=3 1482 B12R1.511 c1c(cc(c(c1N)O)[N+](=O)[O-])Cl H66009 [0,2,0,0,0,0|2,0,0]=4 1483 B12R1.511 c1c(cc(c(c1[N+](=O)[O-])O)Cl)Cl H64524 [0,2,0,0,0,0|2,0,0]=4 1484 B12R1.511 c1c(cc(c(c1[N+](=O)[O-])O)F)Br H32153 [0,2,0,0,0,0|2,0,0]=4 1485 B12R1.893 CC(=O)c1ccc(c(c1Cl)Cl)Cl A13790 [0,2,0,0,0,0|2,0,0]=4 1486 B12R1.893 CC(=O)c1ccc(c(c1F)F)F H26541 [0,2,0,0,0,0|2,0,0]=4 1487 B12R1.893 CC(=O)c1ccc(c(c1O)O)O A14364 [0,2,0,0,0,0|1,0,0]=3 1488 B12R1.893 Cc1c(ccc(c1Cl)C(=O)O)F H51879 [0,2,0,0,0,0|2,0,0]=4 1489 B12R1.893 Cc1c(ccc(c1F)C(=O)Cl)F H31658 [0,2,0,0,0,0|2,0,0]=4 1490 B12R1.893 Cc1c(ccc(c1F)F)C(=O)O H32326 [0,2,0,0,0,0|2,0,0]=4 1491 B12R1.893 Cc1c(ccc(c1O)C(=O)C)O B20272 [0,2,0,0,0,0|1,0,0]=3 1492 B12R1.893 Cc1ccc(c(c1C)N)C(=O)O B25313 [0,2,0,0,0,0|2,0,0]=4 1493 B12R1.893 Cc1ccc(c(c1F)F)C(=O)C H26388 [0,2,0,0,0,0|2,0,0]=4 1494 B12R1.893 Cc1ccc(c(c1F)F)C(=O)Cl L18170 [0,2,0,0,0,0|2,0,0]=4 1495 B12R1.893 Cc1ccc(c(c1F)F)C(=O)N B24254 [0,2,0,0,0,0|1,0,0]=3 1496 B12R1.893 Cc1ccc(c(c1F)F)C(=O)O B22949 [0,2,0,0,0,0|2,0,0]=4 1497 B12R1.893 c1cc(c(c(c1C(=O)Cl)F)Cl)F L18183 [0,2,0,0,0,0|2,0,0]=4 1498 B12R1.893 c1cc(c(c(c1C(=O)Cl)F)F)F B23484 [0,2,0,0,0,0|2,0,0]=4 1499 B12R1.893 c1cc(c(c(c1C(=O)N)F)F)F L11304 [0,2,0,0,0,0|1,0,0]=3 1500 B12R1.893 c1cc(c(c(c1C(=O)O)F)Cl)F B24127 [0,2,0,0,0,0|2,0,0]=4 1501 B12R1.893 c1cc(c(c(c1C(=O)O)F)F)Cl H63623 [0,2,0,0,0,0|2,0,0]=4 1502 B12R1.893 c1cc(c(c(c1C(=O)O)F)F)F B20696 [0,2,0,0,0,0|2,0,0]=4 1503 B12R1.893 c1cc(c(c(c1C(=O)O)F)F)O H26087 [0,2,0,0,0,0|2,0,0]=4 1504 B12R1.893 c1cc(c(c(c1C(=O)O)O)F)F H26088 [0,2,0,0,0,0|1,0,0]=3 1505 B12R1.893 c1cc(c(c(c1C(=O)O)O)O)O B20371 [0,2,0,0,0,0|1,0,0]=3 1506 B12R1.893 c1cc(c(c(c1[N+](=O)[O-])O)F)F B22965 [0,2,0,0,0,0|2,0,0]=4 1507 B12R1.232 CC(=O)c1cc(c(cc1Cl)Cl)F B22153 [0,2,0,0,0,0|2,0,0]=4 1508 B12R1.232 CC(=O)c1cc(c(cc1Cl)F)F H31961 [0,2,0,0,0,0|2,0,0]=4 1509 B12R1.232 CC(=O)c1cc(c(cc1F)Br)F H59035 [0,2,0,0,0,0|2,0,0]=4 1510 B12R1.232 CC(=O)c1cc(c(cc1F)F)F H26205 [0,2,0,0,0,0|2,0,0]=4 1511 B12R1.232 Cc1cc(c(cc1Br)O)C(=O)C H29125 [0,2,0,0,0,0|1,0,0]=3 1512 B12R1.232 Cc1cc(c(cc1C(=O)O)F)F H26141 [0,2,0,0,0,0|2,0,0]=4 1513 B12R1.232 Cc1cc(c(cc1C)C(=O)C)C A10614 [0,2,0,0,0,0|2,0,0]=4 1514 B12R1.232 Cc1cc(c(cc1C)O)C(=O)C H50685 [0,2,0,0,0,0|1,0,0]=3 1515 B12R1.232 Cc1cc(c(cc1F)C(=O)O)F H63652 [0,2,0,0,0,0|2,0,0]=4 1516 B12R1.232 Cc1cc(c(cc1F)F)C(=O)O H31770 [0,2,0,0,0,0|2,0,0]=4 1517 B12R1.232 c1c(c(cc(c1Br)O)O)C(=O)O A18230 [0,2,0,0,0,0|1,0,0]=3 1518 B12R1.232 c1c(c(cc(c1F)Br)Cl)C(=O)O H63965 [0,2,0,0,0,0|2,0,0]=4 1519 B12R1.232 c1c(c(cc(c1F)Cl)Cl)C(=O)Cl B23514 [0,2,0,0,0,0|2,0,0]=4 1520 B12R1.232 c1c(c(cc(c1F)Cl)Cl)C(=O)N B24401 [0,2,0,0,0,0|1,0,0]=3 1521 B12R1.232 c1c(c(cc(c1F)Cl)Cl)C(=O)O B22064 [0,2,0,0,0,0|2,0,0]=4 1522 B12R1.232 c1c(c(cc(c1F)Cl)F)C(=O)O H55521 [0,2,0,0,0,0|2,0,0]=4 1523 B12R1.232 c1c(c(cc(c1F)F)Br)C(=O)O H60418 [0,2,0,0,0,0|2,0,0]=4 1524 B12R1.232 c1c(c(cc(c1F)F)Cl)C(=O)O B24174 [0,2,0,0,0,0|2,0,0]=4 1525 B12R1.232 c1c(c(cc(c1F)F)F)C(=O)Cl A18603 [0,2,0,0,0,0|2,0,0]=4 1526 B12R1.232 c1c(c(cc(c1F)F)F)C(=O)O A14193 [0,2,0,0,0,0|2,0,0]=4 1527 B12R1.232 c1c(c(cc(c1F)F)I)C(=O)O H61798 [0,2,0,0,0,0|2,0,0]=4 1528 B12R1.232 c1c(c(cc(c1F)F)N)C(=O)O L19950 [0,2,0,0,0,0|2,0,0]=4 1529 B12R1.232 c1c(c(cc(c1I)F)F)C(=O)O H33673 [0,2,0,0,0,0|2,0,0]=4 1530 B12R1.232 c1c(c(cc(c1N)F)F)C(=O)O H31845 [0,2,0,0,0,0|2,0,0]=4 1531 B12R1.452 CC(=O)c1ccc(cc1F)OC A16891 [0,2,0,0,0,0|2,0,0]=4 1532 B12R1.452 CC(=O)c1ccc(cc1O)OC B22173 [0,2,0,0,0,0|1,0,0]=3 1533 B12R1.452 COc1ccc(c(c1)Cl)C(=O)O H32014 [0,2,0,0,0,0|2,0,0]=4 1534 B12R1.452 COc1ccc(c(c1)F)C(=O)Cl H31644 [0,2,0,0,0,0|2,0,0]=4 1535 B12R1.452 COc1ccc(c(c1)F)C(=O)N H31636 [0,2,0,0,0,0|1,0,0]=3 1536 B12R1.452 COc1ccc(c(c1)F)C(=O)O H26426 [0,2,0,0,0,0|2,0,0]=4 1537 B12R1.452 COc1ccc(c(c1)N)C(=O)O H32319 [0,2,0,0,0,0|2,0,0]=4 1538 B12R1.452 COc1ccc(c(c1)O)C(=O)O H55345 [0,2,0,0,0,0|1,0,0]=3 1539 B12R1.452 Cc1cc(ccc1C(=O)O)OC H27096 [0,2,0,0,0,0|2,0,0]=4 1540 B12R1.452 c1cc(c(cc1C#N)F)C(=O)O L19722 [0,2,0,0,0,0|2,0,0]=4 1541 B12R1.1703 CCC(=O)c1ccc(cc1Cl)Cl A11252 [0,2,0,0,0,0|2,0,0]=4 1542 B12R1.1703 CCC(=O)c1ccc(cc1F)F A12032 [0,2,0,0,0,0|2,0,0]=4 1543 B12R1.1703 CCC(=O)c1ccc(cc1O)O B23414 [0,2,0,0,0,0|1,0,0]=3 1544 B12R1.1703 COC(=O)c1ccc(cc1Cl)Cl B20583 [0,2,0,0,0,0|2,0,0]=4 1545 B12R1.1703 COC(=O)c1ccc(cc1Cl)F A18342 [0,2,0,0,0,0|2,0,0]=4 1546 B12R1.1703 COC(=O)c1ccc(cc1F)F H32161 [0,2,0,0,0,0|2,0,0]=4 1547 B12R1.1703 COC(=O)c1ccc(cc1F)O H61675 [0,2,0,0,0,0|2,0,0]=4 1548 B12R1.1703 COC(=O)c1ccc(cc1N)Cl L11125 [0,2,0,0,0,0|2,0,0]=4 1549 B12R1.1703 COC(=O)c1ccc(cc1N)F H61749 [0,2,0,0,0,0|2,0,0]=4 1550 B12R1.1703 COC(=O)c1ccc(cc1O)F L17846 [0,2,0,0,0,0|1,0,0]=3 1551 B12R1.1703 COC(=O)c1ccc(cc1O)I B25438 [0,2,0,0,0,0|1,0,0]=3 1552 B12R1.1703 COC(=O)c1ccc(cc1O)N 45520 [0,2,0,0,0,0|1,0,0]=3 1553 B12R1.1703 COC(=O)c1ccc(cc1O)O B24757 [0,2,0,0,0,0|1,0,0]=3 1554 B12R1.1703 Cc1cc(ccc1C(=O)OC)F H63268 [0,2,0,0,0,0|2,0,0]=4 1555 B12R1.1703 Cc1ccc(c(c1)Br)C(=O)OC H63144 [0,2,0,0,0,0|2,0,0]=4 1556 B12R1.1703 Cc1ccc(c(c1)O)C(=O)OC H64793 [0,2,0,0,0,0|1,0,0]=3 1557 B12R1.1703 Cc1ccc(c(n1)O)\C(=N\O)\N H51796 [0,2,0,0,0,0|1,0,1]=4 1558 B12R1.1703 c1cc(c(cc1Cl)Cl)C(=O)CBr H59615 [0,2,0,0,0,0|2,0,0]=4 1559 B12R1.1703 c1cc(c(cc1Cl)Cl)C(=O)CCl A10835 [0,2,0,0,0,0|2,0,0]=4 1560 B12R1.1703 c1cc(c(cc1Cl)Cl)C(=O)NN A12803 [0,2,0,0,0,0|1,0,0]=3 1561 B12R1.1703 c1cc(c(cc1Cl)Cl)\C(=N\O)\N H50674 [0,2,0,0,0,0|1,0,1]=4 1562 B12R1.1703 c1cc(c(cc1F)F)C(=O)C=O L20266 [0,2,0,0,0,0|2,0,0]=4 1563 B12R1.1703 c1cc(c(cc1F)F)C(=O)CBr H56442 [0,2,0,0,0,0|2,0,0]=4 1564 B12R1.1703 c1cc(c(cc1F)F)C(=O)CCl B22487 [0,2,0,0,0,0|2,0,0]=4 1565 B12R1.1703 c1cc(c(cc1F)F)\C(=N\O)\N H50664 [0,2,0,0,0,0|1,0,1]=4 1566 B12R1.1703 c1cc(c(cc1O)O)C(=O)NN L09918 [0,2,0,0,0,0|0,0,0]=2 1567 B12R1.354 CCC(=O)c1cc(ccc1F)F B20801 [0,2,0,0,0,0|2,0,0]=4 1568 B12R1.354 CCC(=O)c1cc(ccc1O)O A12912 [0,2,0,0,0,0|1,0,0]=3 1569 B12R1.354 CNC(=O)c1cc(ccc1F)F H61923 [0,2,0,0,0,0|1,0,0]=3 1570 B12R1.354 COC(=O)c1cc(ccc1Br)Br A18982 [0,2,0,0,0,0|2,0,0]=4 1571 B12R1.354 COC(=O)c1cc(ccc1Br)Cl B25309 [0,2,0,0,0,0|2,0,0]=4 1572 B12R1.354 COC(=O)c1cc(ccc1Cl)Cl B22489 [0,2,0,0,0,0|2,0,0]=4 1573 B12R1.354 COC(=O)c1cc(ccc1N)Br A16666 [0,2,0,0,0,0|2,0,0]=4 1574 B12R1.354 COC(=O)c1cc(ccc1N)Cl L20187 [0,2,0,0,0,0|2,0,0]=4 1575 B12R1.354 COC(=O)c1cc(ccc1N)F L19778 [0,2,0,0,0,0|2,0,0]=4 1576 B12R1.354 COC(=O)c1cc(ccc1O)Br H64372 [0,2,0,0,0,0|1,0,0]=3 1577 B12R1.354 COC(=O)c1cc(ccc1O)Cl A19971 [0,2,0,0,0,0|1,0,0]=3 1578 B12R1.354 COC(=O)c1cc(ccc1O)I B22048 [0,2,0,0,0,0|1,0,0]=3 1579 B12R1.354 COC(=O)c1cc(ccc1O)O A10407 [0,2,0,0,0,0|1,0,0]=3 1580 B12R1.354 COC(=O)c1cc(ccc1[Zn+])Cl H58696 [0,2,0,0,0,0|2,0,0]=4 1581 B12R1.354 Cc1ccc(c(c1)C(=O)OC)I H33853 [0,2,0,0,0,0|2,0,0]=4 1582 B12R1.354 Cc1ccc(cc1C(=O)OC)Br H61861 [0,2,0,0,0,0|2,0,0]=4 1583 B12R1.354 Cc1ccc(cc1C(=O)OC)N H61671 [0,2,0,0,0,0|2,0,0]=4 1584 B12R1.354 c1cc(c(cc1Cl)C(=O)NN)Cl A14778 [0,2,0,0,0,0|1,0,0]=3 1585 B12R1.453 CC(=O)c1cc(ccc1O)OC A19216 [0,2,0,0,0,0|1,0,0]=3 1586 B12R1.453 COc1ccc(c(c1)C(=O)Cl)Br A19164 [0,2,0,0,0,0|2,0,0]=4 1587 B12R1.453 COc1ccc(c(c1)C(=O)N)Br H31250 [0,2,0,0,0,0|1,0,0]=3 1588 B12R1.453 COc1ccc(c(c1)C(=O)O)Br A12261 [0,2,0,0,0,0|2,0,0]=4 1589 B12R1.453 COc1ccc(c(c1)C(=O)O)Cl H26111 [0,2,0,0,0,0|2,0,0]=4 1590 B12R1.453 COc1ccc(c(c1)C(=O)O)F H52365 [0,2,0,0,0,0|2,0,0]=4 1591 B12R1.453 COc1ccc(c(c1)C(=O)O)N L10295 [0,2,0,0,0,0|2,0,0]=4 1592 B12R1.453 COc1ccc(c(c1)C(=O)O)O L16270 [0,2,0,0,0,0|1,0,0]=3 1593 B12R1.453 COc1ccc(c(c1)[N+](=O)[O-])O A13409 [0,2,0,0,0,0|2,0,0]=4 1594 B12R1.453 c1cc(c(cc1C#N)[N+](=O)[O-])O H55597 [0,2,0,0,0,0|2,0,0]=4 1595 B12R1.453 c1cc(c(cc1C=O)[N+](=O)[O-])O A17972 [0,2,0,0,0,0|2,0,0]=4 1596 B12R1.308 CCNC(=O)c1ccccc1Cl H59064 [0,2,0,0,0,0|1,0,0]=3 1597 B12R1.308 CCNC(=O)c1ccccc1F H59435 [0,2,0,0,0,0|1,0,0]=3 1598 B12R1.308 CCNC(=O)c1cccnc1Cl H57514 [0,2,0,0,0,0|2,0,0]=4 1599 B12R1.308 CCOC(=O)c1ccccc1Br A13166 [0,2,0,0,0,0|2,0,0]=4 1600 B12R1.308 CCOC(=O)c1ccccc1C L00598 [0,2,0,0,0,0|2,0,0]=4 1601 B12R1.308 CCOC(=O)c1ccccc1Cl A10141 [0,2,0,0,0,0|2,0,0]=4 1602 B12R1.308 CCOC(=O)c1ccccc1F A16564 [0,2,0,0,0,0|2,0,0]=4 1603 B12R1.308 CCOC(=O)c1ccccc1I L07650 [0,2,0,0,0,0|2,0,0]=4 1604 B12R1.308 CCOC(=O)c1ccccc1N A14378 [0,2,0,0,0,0|2,0,0]=4 1605 B12R1.308 CCOC(=O)c1ccccc1O A10101 [0,2,0,0,0,0|1,0,0]=3 1606 B12R1.308 CCOC(=O)c1ccccc1[Zn+] H58721 [0,2,0,0,0,0|2,0,0]=4 1607 B12R1.308 c1ccc(c(c1)C(=O)CC#N)Cl A13611 [0,2,0,0,0,0|1,0,1]=4 1608 B10R1.18 c1ccc(cc1)CC(=O)N H60626 [0,0,1,1,0,0|1,0,1]=4 1609 B10R1.18 c1ccc(cc1)NC(=O)N L01306 [0,0,1,1,0,0|2,0,0]=4 1610 B10R1.18 c1ccc(cc1)OC(=O)N L00944 [0,0,1,1,0,0|2,0,0]=4 1611 B10R1.18 c1ccnc(c1)CC(=O)N B24939 [0,0,1,1,0,0|1,0,1]=4 1612 B10R1.66 CC(=O)\C=C\c1ccco1 A19456 [0,0,1,1,0,0|1,0,0]=3 1613 B10R1.66 CC(=O)\C=C\c1cccs1 B25191 [0,0,1,1,0,0|1,1,0]=4 1614 B10R1.66 c1cc(oc1)\C=C\C(=O)O B21653 [0,0,1,1,0,0|1,0,0]=3 1615 B10R1.66 c1cc(oc1)\C=C\[N+](=O)[O-] L06995 [0,0,1,1,0,0|2,0,0]=4 1616 B10R1.66 c1cc(sc1)\C=C\C(=O)O A10342 [0,0,1,1,0,0|1,1,0]=4 1617 B10R2.7 B1Oc2ccccc2O1 H30234 [1,0,0,1,0,0|2,0,0]=4 1618 B10R2.7 B1Oc2ccccc2O1 L14998 [1,0,0,1,0,0|2,0,0]=4 1619 B10R2.7 c1cc2c(cco2)nc1 H32966 [1,0,0,1,0,0|2,0,0]=4 1620 B10R2.7 c1ccc2c(c1)CC=C2 A12192 [1,0,0,1,0,0|2,0,0]=4 1621 B10R2.7 c1ccc2c(c1)CC=C2 L12665 [1,0,0,1,0,0|2,0,0]=4 1622 B10R2.7 c1ccc2c(c1)CCO2 A11368 [1,0,0,1,0,0|1,0,1]=4 1623 B10R2.7 c1ccc2c(c1)CNC2 H63012 [1,0,0,1,0,0|1,0,1]=4 1624 B10R2.7 c1ccc2c(c1)OCO2 A14192 [1,0,0,1,0,0|2,0,0]=4 1625 B10R2.7 c1ccc2c(c1)cc[nH]2 A14427 [1,0,0,1,0,0|2,0,0]=4 1626 B10R2.7 c1ccc2c(c1)cco2 A15225 [1,0,0,1,0,0|1,0,0]=3 1627 B10R2.7 c1ccc2c(c1)ccs2 A12328 [1,0,0,1,0,0|1,1,0]=4 1628 B10R2.7 c1ccc2c(c1)cn[nH]2 A11665 [1,0,0,1,0,0|1,0,1]=4 1629 B10R2.7 c1ccc2c(c1)cno2 B23400 [1,0,0,1,0,0|0,0,1]=3 1630 B10R2.7 c1ccc2c(c1)nco2 A17489 [1,0,0,1,0,0|2,0,0]=4 1631 B12R2.24 c1cc2c(nc1)NC(=O)CO2 L08473 [0,0,0,1,0,1|2,0,0]=4 1632 B12R2.24 c1ccc2c(c1)CCC(=O)C2 L01053 [0,0,0,1,0,1|2,0,0]=4 1633 B12R2.24 c1ccc2c(c1)CCC(=O)N2 H36638 [0,0,0,1,0,1|2,0,0]=4 1634 B12R2.24 c1ccc2c(c1)CCC(=O)O2 B21229 [0,0,0,1,0,1|2,0,0]=4 1635 B12R2.24 c1ccc2c(c1)CNC(=O)N2 L07763 [0,0,0,1,0,1|1,0,0]=3 1636 B12R2.24 c1ccc2c(c1)NC(=O)CO2 H27622 [0,0,0,1,0,1|1,0,0]=3 1637 B12R2.24 c1ccc2c(c1)NC(=O)CS2 A11091 [0,0,0,1,0,1|1,1,0]=4 1638 B12R2.24 c1ccc2c(c1)cc(cn2)N A16592 [0,0,0,1,0,1|2,0,0]=4 1639 B12R2.24 c1ccc2c(c1)ccc(=O)o2 A15336 [0,0,0,1,0,1|2,0,0]=4 1640 B12R2.202 Cc1cc2c([nH]1)cccc2O H54770 [0,0,0,1,0,1|1,0,0]=3 1641 B12R2.202 Cc1cccc2c1CC(=O)N2 H66430 [0,0,0,1,0,1|1,0,0]=3 1642 B12R2.202 Cc1cccc2c1nc(s2)N A10822 [0,0,0,1,0,1|1,1,0]=4 1643 B12R2.202 c1cc2c(c(c1)Cl)nc(s2)N A18160 [0,0,0,1,0,1|1,1,0]=4 1644 B12R2.202 c1cc2c(c(c1)Cl)nc(s2)N L05440 [0,0,0,1,0,1|1,1,0]=4 1645 B12R2.202 c1cc2c(c(c1)F)NC(=O)C2 H61511 [0,0,0,1,0,1|2,0,0]=4 1646 B12R2.202 c1cc2c(c(c1)I)NC(=O)C2 H52337 [0,0,0,1,0,1|2,0,0]=4 1647 B12R2.1081 c1ccc2c(c1)C(=O)CCO2 A11242 [0,1,0,1,0,0|1,0,0]=3 1648 B12R2.1081 c1ccc2c(c1)CCCC2=O A13303 [0,1,0,1,0,0|2,0,0]=4 1649 B12R2.1081 c1ccc2c(c1)COCC2=O H61539 [0,1,0,1,0,0|1,0,0]=3 1650 B12R2.1081 c1ccc2c(c1)CSCC2=O L07948 [0,1,0,1,0,0|1,1,0]=4 1651 B12R2.1081 c1ccc2c(c1)c(=O)[nH]nn2 A19798 [0,1,0,1,0,0|1,0,0]=3 1652 B12R2.1081 c1ccc2c(c1)c(ncn2)N H66948 [0,1,0,1,0,0|2,0,0]=4 1653 B12R2.1081 c1ccc2c(c1)cccc2N 44088 [0,1,0,1,0,0|2,0,0]=4 1654 B12R2.1081 c1ccc2c(c1)cccc2N H60409 [0,1,0,1,0,0|2,0,0]=4 1655 B12R2.2028 Cn1c2ccccc2c(n1)N H34285 [0,1,0,1,0,0|2,0,0]=4 1656 B12R2.2028 c1ccc2c(c1)C(=O)CC2=O A12206 [0,1,0,1,0,0|1,0,1]=4 1657 B12R2.2028 c1ccc2c(c1)C(=O)NC2=O A12584 [0,1,0,1,0,0|0,0,1]=3 1658 B12R2.2028 c1ccc2c(c1)C(=O)OC2=O 41771 [0,1,0,1,0,0|1,0,1]=4 1659 B12R2.2028 c1ccc2c(c1)C(=O)OC2=O A14955 [0,1,0,1,0,0|1,0,1]=4 1660 B12R2.2028 c1ccc2c(c1)C(=O)[N-]C2=O A11134 [0,1,0,1,0,0|0,0,2]=4 1661 B12R2.2028 c1cncc2c1C(=O)NC2=O H31758 [0,1,0,1,0,0|1,0,1]=4 1662 B12R2.203 Cc1c[nH]c2c1c(ccc2)Br H37430 [0,1,0,1,0,0|2,0,0]=4 1663 B12R2.203 c1cc2c(c(c1)Br)c(n[nH]2)N H33460 [0,1,0,1,0,0|2,0,0]=4 1664 B12R2.203 c1cc2c(c(c1)Cl)c(n[nH]2)I H36741 [0,1,0,1,0,0|2,0,0]=4 1665 B12R2.203 c1cc2c(c(c1)Cl)c(n[nH]2)N H34143 [0,1,0,1,0,0|2,0,0]=4 1666 B12R2.203 c1cc2c(c(c1)F)c(n[nH]2)N H64990 [0,1,0,1,0,0|2,0,0]=4 1667 B12R2.203 c1cc2c(c(c1)O)C(=O)CC2 H66850 [0,1,0,1,0,0|1,0,0]=3 1668 B12R2.196 c1cc2c(c(c1)Br)CCC2=O H56937 [0,1,0,1,0,0|2,0,0]=4 1669 B12R2.196 c1cc2c(c(c1)F)CCC2=O H59356 [0,1,0,1,0,0|2,0,0]=4 1670 B12R2.196 c1cc2c(c(c1)O)CCC2=O H56184 [0,1,0,1,0,0|2,0,0]=4 1671 B12R2.612 Cc1ccc2c(c1)CCC2=O H66814 [0,1,0,1,0,0|2,0,0]=4 1672 B12R2.612 c1cc2c(cc1Br)CCC2=O B25707 [0,1,0,1,0,0|2,0,0]=4 1673 B12R2.612 c1cc2c(cc1Br)CNC2=O H52358 [0,1,0,1,0,0|1,0,0]=3 1674 B12R2.612 c1cc2c(cc1Br)COC2=O H33891 [0,1,0,1,0,0|2,0,0]=4 1675 B12R2.612 c1cc2c(cc1Br)[nH]nc2N H34095 [0,1,0,1,0,0|2,0,0]=4 1676 B12R2.612 c1cc2c(cc1Cl)CCC2=O A18308 [0,1,0,1,0,0|2,0,0]=4 1677 B12R2.612 c1cc2c(cc1F)CCC2=O L10949 [0,1,0,1,0,0|2,0,0]=4 1678 B12R2.612 c1cc2c(cc1N)CCC2=O H66425 [0,1,0,1,0,0|2,0,0]=4 1679 B12R2.612 c1cc2c(cc1N)COC2=O H66457 [0,1,0,1,0,0|2,0,0]=4 1680 B12R2.612 c1cc2c(cc1O)OCC2=O L10951 [0,1,0,1,0,0|1,0,0]=3 1681 B12R2.132 Cc1ccc2c(c1)C(=O)CC2 L17559 [0,1,0,1,0,0|2,0,0]=4 1682 B12R2.132 c1cc2c(cc1Br)C(=O)CC2 H54003 [0,1,0,1,0,0|2,0,0]=4 1683 B12R2.132 c1cc2c(cc1Br)c(n[nH]2)N H33351 [0,1,0,1,0,0|2,0,0]=4 1684 B12R2.132 c1cc2c(cc1F)C(=O)CC2 L17095 [0,1,0,1,0,0|2,0,0]=4 1685 B12R2.132 c1cc2c(cc1I)c(n[nH]2)N H34227 [0,1,0,1,0,0|2,0,0]=4 1686 B12R2.132 c1cc2c(cc1N)C(=O)OC2 A18896 [0,1,0,1,0,0|2,0,0]=4 1687 B12R2.1 c1ccc2c(c1)c(c[nH]2)C=O A15330 [0,1,0,1,0,0|2,0,0]=4 1688 B12R2.18 c1ccc2c(c1)C(=O)C(=O)N2 A12468 [0,1,0,1,0,0|2,0,0]=4 1689 B12R2.18 c1ccc2c(c1)CC(C2=O)Br L12453 [0,1,0,1,0,0|2,0,0]=4 1690 B8R1.7 CC(=C1C=CC=C1)C B21826 [1,0,0,0,1,0|2,0,0]=4 1691 B8R1.7 CC(=O)c1cc[nH]c1 A12073 [1,0,0,0,1,0|2,0,0]=4 1692 B8R1.7 CC(=O)c1ccc[nH]1 A14593 [1,0,0,0,1,0|2,0,0]=4 1693 B8R1.7 CC(=O)c1ccco1 A14938 [1,0,0,0,1,0|2,0,0]=4 1694 B8R1.7 CC(=O)c1cccs1 A13062 [1,0,0,0,1,0|2,0,0]=4 1695 B8R1.7 CC(=O)c1ccoc1 H34071 [1,0,0,0,1,0|2,0,0]=4 1696 B8R1.7 CC(=O)c1ccsc1 A11078 [1,0,0,0,1,0|2,0,0]=4 1697 B8R1.7 c1c[nH]cc1C(=O)O H55383 [1,0,0,0,1,0|2,0,0]=4 1698 B8R1.7 c1cc([nH]c1)C(=O)O L13756 [1,0,0,0,1,0|2,0,0]=4 1699 B8R1.7 c1cc([nH]c1)C(=S)N H58042 [1,0,0,0,1,0|1,1,0]=4 1700 B8R1.7 c1cc(oc1)C(=O)Cl L06960 [1,0,0,0,1,0|2,0,0]=4 1701 B8R1.7 c1cc(oc1)C(=O)N B25075 [1,0,0,0,1,0|1,0,0]=3 1702 B8R1.7 c1cc(oc1)C(=O)O A11454 [1,0,0,0,1,0|2,0,0]=4 1703 B8R1.7 c1cc(oc1)C(=S)N H51831 [1,0,0,0,1,0|1,1,0]=4 1704 B8R1.7 c1cc(sc1)C(=O)Cl A14641 [1,0,0,0,1,0|2,0,0]=4 1705 B8R1.7 c1cc(sc1)C(=O)N A15219 [1,0,0,0,1,0|1,0,0]=3 1706 B8R1.7 c1cc(sc1)C(=O)O A12514 [1,0,0,0,1,0|2,0,0]=4 1707 B8R1.7 c1cc(sc1)C(=O)[O-] H64950 [1,0,0,0,1,0|2,0,0]=4 1708 B8R1.7 c1cc(sc1)C(=S)N B25225 [1,0,0,0,1,0|1,1,0]=4 1709 B8R1.7 c1cocc1C(=O)O L11629 [1,0,0,0,1,0|2,0,0]=4 1710 B8R1.7 c1cscc1C(=O)Cl H61428 [1,0,0,0,1,0|2,0,0]=4 1711 B8R1.7 c1cscc1C(=O)O A15712 [1,0,0,0,1,0|2,0,0]=4 1712 B8R1.7 c1cscc1C(=S)N H51830 [1,0,0,0,1,0|1,1,0]=4 1713 B8R1.11 Cc1ccsc1C=O A13961 [1,0,0,0,1,0|2,0,0]=4 1714 B8R1.11 Cc1ccsc1C=O L14741 [1,0,0,0,1,0|2,0,0]=4 1715 B8R1.11 Cn1cccc1C=O A11163 [1,0,0,0,1,0|2,0,0]=4 1716 B8R1.11 c1csc(c1Br)C=O L19386 [1,0,0,0,1,0|2,0,0]=4 1717 B12R1.125 CC(=O)NCc1ccccc1Br H50599 [0,0,0,0,0,2|2,0,0]=4 1718 B12R1.125 Cc1ccccc1CCC(=O)O H34375 [0,0,0,0,0,2|2,0,0]=4 1719 B12R1.125 Cc1ccccc1OCC(=O)O A13076 [0,0,0,0,0,2|2,0,0]=4 1720 B12R1.125 Cc1ccccc1\C=C\C(=O)O A14644 [0,0,0,0,0,2|2,0,0]=4 1721 B12R1.125 c1ccc(c(c1)CCC(=O)O)Br H33933 [0,0,0,0,0,2|2,0,0]=4 1722 B12R1.125 c1ccc(c(c1)CCC(=O)O)Cl L15306 [0,0,0,0,0,2|2,0,0]=4 1723 B12R1.125 c1ccc(c(c1)CCC(=O)O)F H34110 [0,0,0,0,0,2|2,0,0]=4 1724 B12R1.125 c1ccc(c(c1)CCC(=O)O)O A14195 [0,0,0,0,0,2|1,0,0]=3 1725 B12R1.125 c1ccc(c(c1)O)OCC(=O)O L03897 [0,0,0,0,0,2|1,0,0]=3 1726 B12R1.125 c1ccc(c(c1)OCC(=O)N)Cl B25223 [0,0,0,0,0,2|1,0,0]=3 1727 B12R1.125 c1ccc(c(c1)OCC(=O)O)Cl L00926 [0,0,0,0,0,2|2,0,0]=4 1728 B12R1.125 c1ccc(c(c1)\C=C\C(=O)Cl)Cl L10521 [0,0,0,0,0,2|2,0,0]=4 1729 B12R1.125 c1ccc(c(c1)\C=C\C(=O)O)Br A11381 [0,0,0,0,0,2|2,0,0]=4 1730 B12R1.125 c1ccc(c(c1)\C=C\C(=O)O)Cl L01606 [0,0,0,0,0,2|2,0,0]=4 1731 B12R1.125 c1ccc(c(c1)\C=C\C(=O)O)F A15303 [0,0,0,0,0,2|2,0,0]=4 1732 B12R1.125 c1ccc(c(c1)\C=C\C(=O)O)O A11740 [0,0,0,0,0,2|1,0,0]=3