0 B10R1.61 B(c1ccccc1Br)(O)O L18581 [0,0,0,0,0,0|2,0,1]=3 1 B10R1.61 B(c1ccccc1C)(O)O B23154 [0,0,0,0,0,0|2,0,1]=3 2 B10R1.61 B(c1ccccc1Cl)(O)O B23324 [0,0,0,0,0,0|2,0,1]=3 3 B10R1.61 B(c1ccccc1F)(O)O B23103 [0,0,0,0,0,0|2,0,1]=3 4 B10R1.61 B(c1ccccc1N)(O)O L18069 [0,0,0,0,0,0|2,0,1]=3 5 B10R1.61 B(c1ccccc1O)(O)O L19400 [0,0,0,0,0,0|1,0,1]=2 6 B10R1.61 B(c1cccnc1Br)(O)O H27523 [0,0,0,0,0,0|3,0,1]=4 7 B10R1.61 B(c1cccnc1Cl)(O)O L20303 [0,0,0,0,0,0|3,0,1]=4 8 B10R1.61 B(c1cccnc1F)(O)O L20108 [0,0,0,0,0,0|3,0,1]=4 9 B10R1.61 B(c1ccncc1Cl)(O)O H52864 [0,0,0,0,0,0|3,0,1]=4 10 B10R1.61 B(c1ccncc1F)(O)O H53109 [0,0,0,0,0,0|3,0,1]=4 11 B10R1.61 B(c1cnccc1Cl)(O)O H52697 [0,0,0,0,0,0|3,0,1]=4 12 B10R1.61 CC(=O)c1ccccc1Br A11982 [0,0,0,0,0,0|2,0,0]=2 13 B10R1.61 CC(=O)c1ccccc1Cl A15232 [0,0,0,0,0,0|2,0,0]=2 14 B10R1.61 CC(=O)c1ccccc1F A15128 [0,0,0,0,0,0|2,0,0]=2 15 B10R1.61 CC(=O)c1ccccc1I B25345 [0,0,0,0,0,0|2,0,0]=2 16 B10R1.61 CC(=O)c1ccccc1N A10895 [0,0,0,0,0,0|2,0,0]=2 17 B10R1.61 CC(=O)c1ccccc1O A12550 [0,0,0,0,0,0|1,0,0]=1 18 B10R1.61 CC(C)c1ccccc1Br L00941 [0,0,0,0,0,0|3,0,1]=4 19 B10R1.61 CC(C)c1ccccc1I L01533 [0,0,0,0,0,0|3,0,1]=4 20 B10R1.61 CC(C)c1ccccc1N A14671 [0,0,0,0,0,0|3,0,1]=4 21 B10R1.61 CC(C)c1ccccc1O A12027 [0,0,0,0,0,0|2,0,1]=3 22 B10R1.61 CC(c1ccccc1Cl)O B24800 [0,0,0,0,0,0|2,0,1]=3 23 B10R1.61 CC(c1ccccc1F)O H31900 [0,0,0,0,0,0|2,0,1]=3 24 B10R1.61 CN(C)c1ccccc1Br B25564 [0,0,0,0,0,0|4,0,0]=4 25 B10R1.61 C[C@@H](c1ccccc1Cl)O H60935 [0,0,0,0,0,0|2,0,1]=3 26 B10R1.61 C[C@H](c1ccccc1Br)O H56003 [0,0,0,0,0,0|2,0,1]=3 27 B10R1.61 C[C@H](c1ccccc1Cl)O H60061 [0,0,0,0,0,0|2,0,1]=3 28 B10R1.61 Cc1c(nccn1)C(=O)C A15054 [0,0,0,0,0,0|4,0,0]=4 29 B10R1.61 Cc1ccccc1C(=C)C H26073 [0,0,0,0,0,0|3,0,0]=3 30 B10R1.61 Cc1ccccc1C(=O)C A11695 [0,0,0,0,0,0|2,0,0]=2 31 B10R1.61 Cc1ccccc1C(=O)Cl A10775 [0,0,0,0,0,0|2,0,0]=2 32 B10R1.61 Cc1ccccc1C(=O)O A13856 [0,0,0,0,0,0|1,0,0]=1 33 B10R1.61 Cc1ccccc1C(=S)N H51790 [0,0,0,0,0,0|2,1,0]=3 34 B10R1.61 Cc1ccccc1C(C)O L08065 [0,0,0,0,0,0|2,0,1]=3 35 B10R1.61 Cc1ccccc1[N+](=O)[O-] A13446 [0,0,0,0,0,0|2,0,1]=3 36 B10R1.61 Cc1cccnc1C(=S)N H51794 [0,0,0,0,0,0|3,1,0]=4 37 B10R1.61 Cc1ccncc1C(=O)C H33380 [0,0,0,0,0,0|3,0,0]=3 38 B10R1.61 Cc1ccncc1C(=O)O B22367 [0,0,0,0,0,0|2,0,0]=2 39 B10R1.61 Cc1ccncc1[N+](=O)[O-] H29144 [0,0,0,0,0,0|3,0,1]=4 40 B10R1.61 Cc1ccncc1[N+](=O)[O-] L07398 [0,0,0,0,0,0|3,0,1]=4 41 B10R1.61 c1cc(c(nc1)Br)C(=O)O H30239 [0,0,0,0,0,0|2,0,0]=2 42 B10R1.61 c1cc(c(nc1)Br)[N+](=O)[O-] L20019 [0,0,0,0,0,0|3,0,1]=4 43 B10R1.61 c1cc(c(nc1)C(=O)O)Br H64258 [0,0,0,0,0,0|2,0,0]=2 44 B10R1.61 c1cc(c(nc1)C(=O)O)Cl H26024 [0,0,0,0,0,0|2,0,0]=2 45 B10R1.61 c1cc(c(nc1)C(=O)O)F H61458 [0,0,0,0,0,0|2,0,0]=2 46 B10R1.61 c1cc(c(nc1)C(=O)O)N H64861 [0,0,0,0,0,0|2,0,0]=2 47 B10R1.61 c1cc(c(nc1)C(=O)O)O L07489 [0,0,0,0,0,0|1,0,0]=1 48 B10R1.61 c1cc(c(nc1)Cl)C(=O)Cl A11048 [0,0,0,0,0,0|3,0,0]=3 49 B10R1.61 c1cc(c(nc1)Cl)C(=O)N A12090 [0,0,0,0,0,0|3,0,0]=3 50 B10R1.61 c1cc(c(nc1)Cl)C(=O)O A17082 [0,0,0,0,0,0|2,0,0]=2 51 B10R1.61 c1cc(c(nc1)Cl)C(=S)N H52252 [0,0,0,0,0,0|3,1,0]=4 52 B10R1.61 c1cc(c(nc1)Cl)[N+](=O)[O-] A12161 [0,0,0,0,0,0|3,0,1]=4 53 B10R1.61 c1cc(c(nc1)F)C(=O)O L19442 [0,0,0,0,0,0|2,0,0]=2 54 B10R1.61 c1cc(c(nc1)F)[N+](=O)[O-] H61260 [0,0,0,0,0,0|3,0,1]=4 55 B10R1.61 c1cc(c(nc1)N)C(=O)N H66202 [0,0,0,0,0,0|3,0,0]=3 56 B10R1.61 c1cc(c(nc1)N)C(=O)O A11195 [0,0,0,0,0,0|2,0,0]=2 57 B10R1.61 c1cc(c(nc1)N)[N+](=O)[O-] A14368 [0,0,0,0,0,0|3,0,1]=4 58 B10R1.61 c1cc(c(nc1)O)C(=O)O A15986 [0,0,0,0,0,0|1,0,0]=1 59 B10R1.61 c1cc(c(nc1)O)[N+](=O)[O-] A17768 [0,0,0,0,0,0|2,0,1]=3 60 B10R1.61 c1cc(c(nc1)S)C(=O)O A14683 [0,0,0,0,0,0|1,1,0]=2 61 B10R1.61 c1cc(c(nc1)[N+](=O)[O-])Br L19523 [0,0,0,0,0,0|3,0,1]=4 62 B10R1.61 c1cc(c(nc1)[N+](=O)[O-])Cl L19863 [0,0,0,0,0,0|3,0,1]=4 63 B10R1.61 c1cc(c(nc1)[N+](=O)[O-])F H33813 [0,0,0,0,0,0|3,0,1]=4 64 B10R1.61 c1cc(c(nc1)[N+](=O)[O-])N L19619 [0,0,0,0,0,0|3,0,1]=4 65 B10R1.61 c1cc(c(nc1)[N+](=O)[O-])O A14887 [0,0,0,0,0,0|2,0,1]=3 66 B10R1.61 c1ccc(c(c1)C(=O)Cl)Br A14520 [0,0,0,0,0,0|2,0,0]=2 67 B10R1.61 c1ccc(c(c1)C(=O)Cl)Cl A14785 [0,0,0,0,0,0|2,0,0]=2 68 B10R1.61 c1ccc(c(c1)C(=O)Cl)F A16096 [0,0,0,0,0,0|2,0,0]=2 69 B10R1.61 c1ccc(c(c1)C(=O)Cl)I A13558 [0,0,0,0,0,0|2,0,0]=2 70 B10R1.61 c1ccc(c(c1)C(=O)N)Br A18331 [0,0,0,0,0,0|2,0,0]=2 71 B10R1.61 c1ccc(c(c1)C(=O)N)Cl A15706 [0,0,0,0,0,0|2,0,0]=2 72 B10R1.61 c1ccc(c(c1)C(=O)N)F L07870 [0,0,0,0,0,0|2,0,0]=2 73 B10R1.61 c1ccc(c(c1)C(=O)N)N A14756 [0,0,0,0,0,0|2,0,0]=2 74 B10R1.61 c1ccc(c(c1)C(=O)N)O A10797 [0,0,0,0,0,0|1,0,0]=1 75 B10R1.61 c1ccc(c(c1)C(=O)O)Br A13608 [0,0,0,0,0,0|1,0,0]=1 76 B10R1.61 c1ccc(c(c1)C(=O)O)Cl A10832 [0,0,0,0,0,0|1,0,0]=1 77 B10R1.61 c1ccc(c(c1)C(=O)O)F A11015 [0,0,0,0,0,0|1,0,0]=1 78 B10R1.61 c1ccc(c(c1)C(=O)O)I A10563 [0,0,0,0,0,0|1,0,0]=1 79 B10R1.61 c1ccc(c(c1)C(=O)O)N A12715 [0,0,0,0,0,0|1,0,0]=1 80 B10R1.61 c1ccc(c(c1)C(=O)O)O 30782 [0,0,0,0,0,0|0,0,0]=0 81 B10R1.61 c1ccc(c(c1)C(=O)O)O A12253 [0,0,0,0,0,0|0,0,0]=0 82 B10R1.61 c1ccc(c(c1)C(=O)O)S A13401 [0,0,0,0,0,0|0,1,0]=1 83 B10R1.61 c1ccc(c(c1)C(=O)[O-])O 18585 [0,0,0,0,0,0|0,0,1]=1 84 B10R1.61 c1ccc(c(c1)C(=O)[O-])O 39356 [0,0,0,0,0,0|0,0,1]=1 85 B10R1.61 c1ccc(c(c1)C(=O)[O-])O 39379 [0,0,0,0,0,0|0,0,1]=1 86 B10R1.61 c1ccc(c(c1)C(=O)[O-])O A17056 [0,0,0,0,0,0|0,0,1]=1 87 B10R1.61 c1ccc(c(c1)C(=S)N)Br H55238 [0,0,0,0,0,0|2,1,0]=3 88 B10R1.61 c1ccc(c(c1)C(=S)N)Cl L11180 [0,0,0,0,0,0|2,1,0]=3 89 B10R1.61 c1ccc(c(c1)C(=S)N)N H51809 [0,0,0,0,0,0|2,1,0]=3 90 B10R1.61 c1ccc(c(c1)C(Cl)Cl)F L03984 [0,0,0,0,0,0|3,0,1]=4 91 B10R1.61 c1ccc(c(c1)C(F)F)F H33688 [0,0,0,0,0,0|3,0,1]=4 92 B10R1.61 c1ccc(c(c1)N)[N+](=O)[O-] A11055 [0,0,0,0,0,0|2,0,1]=3 93 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])Br A11686 [0,0,0,0,0,0|2,0,1]=3 94 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])Cl A15403 [0,0,0,0,0,0|2,0,1]=3 95 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])F A13852 [0,0,0,0,0,0|2,0,1]=3 96 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])I A12100 [0,0,0,0,0,0|2,0,1]=3 97 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])O A12333 [0,0,0,0,0,0|1,0,1]=2 98 B10R1.61 c1cnc(c(n1)C(=O)N)N H63553 [0,0,0,0,0,0|4,0,0]=4 99 B10R1.61 c1cnc(c(n1)C(=O)N)O H28250 [0,0,0,0,0,0|3,0,0]=3 100 B10R1.61 c1cnc(c(n1)C(=O)O)N B23707 [0,0,0,0,0,0|3,0,0]=3 101 B10R1.61 c1cncc(c1Br)C(=O)O H66322 [0,0,0,0,0,0|2,0,0]=2 102 B10R1.61 c1cncc(c1C(=O)O)Br H31047 [0,0,0,0,0,0|2,0,0]=2 103 B10R1.61 c1cncc(c1C(=O)O)Cl H63669 [0,0,0,0,0,0|2,0,0]=2 104 B10R1.61 c1cncc(c1C(=O)O)F L20042 [0,0,0,0,0,0|2,0,0]=2 105 B10R1.61 c1cncc(c1C(=O)O)N H28714 [0,0,0,0,0,0|2,0,0]=2 106 B10R1.61 c1cncc(c1C(=O)O)O H63465 [0,0,0,0,0,0|1,0,0]=1 107 B10R1.61 c1cncc(c1Cl)C(=O)O L20029 [0,0,0,0,0,0|2,0,0]=2 108 B10R1.61 c1cncc(c1Cl)[N+](=O)[O-] L19364 [0,0,0,0,0,0|3,0,1]=4 109 B10R1.61 c1cncc(c1Cl)[N+](=O)[O-] L19728 [0,0,0,0,0,0|3,0,1]=4 110 B10R1.61 c1cncc(c1N)C(=O)O H50032 [0,0,0,0,0,0|2,0,0]=2 111 B10R1.61 c1cncc(c1N)[N+](=O)[O-] L19725 [0,0,0,0,0,0|3,0,1]=4 112 B10R1.61 c1cncc(c1O)C(=O)O H32282 [0,0,0,0,0,0|1,0,0]=1 113 B10R1.61 c1cncc(c1O)[N+](=O)[O-] B20963 [0,0,0,0,0,0|2,0,1]=3 114 B9R1.6 B(c1ccccc1)(Cl)Cl 32583 [1,0,0,0,0,0|3,0,0]=4 115 B9R1.6 B(c1ccccc1)(O)O A14257 [1,0,0,0,0,0|1,0,1]=3 116 B9R1.6 B(c1ccccc1)(O)O L19459 [1,0,0,0,0,0|1,0,1]=3 117 B9R1.6 B(c1ccccn1)(O)O H53314 [1,0,0,0,0,0|2,0,1]=4 118 B9R1.6 B(c1cccnc1)(O)O L15040 [1,0,0,0,0,0|2,0,1]=4 119 B9R1.6 B(c1ccncc1)(O)O H52648 [1,0,0,0,0,0|2,0,1]=4 120 B9R1.6 B(c1ccncc1)(O)O L15179 [1,0,0,0,0,0|2,0,1]=4 121 B9R1.6 CC(=C)c1ccccc1 L03609 [1,0,0,0,0,0|2,0,0]=3 122 B9R1.6 CC(=O)c1ccccc1 A12727 [1,0,0,0,0,0|1,0,0]=2 123 B9R1.6 CC(=O)c1ccccn1 A12688 [1,0,0,0,0,0|2,0,0]=3 124 B9R1.6 CC(=O)c1cccnc1 A14246 [1,0,0,0,0,0|2,0,0]=3 125 B9R1.6 CC(=O)c1ccncc1 A12015 [1,0,0,0,0,0|2,0,0]=3 126 B9R1.6 CC(=O)c1ccnnc1 H66461 [1,0,0,0,0,0|3,0,0]=4 127 B9R1.6 CC(=O)c1cnccn1 A15917 [1,0,0,0,0,0|3,0,0]=4 128 B9R1.6 CC(C)c1ccccc1 A11864 [1,0,0,0,0,0|2,0,1]=4 129 B9R1.6 CC(c1ccccc1)Br A16839 [1,0,0,0,0,0|2,0,1]=4 130 B9R1.6 CC(c1ccccc1)N A15711 [1,0,0,0,0,0|2,0,1]=4 131 B9R1.6 CC(c1ccccc1)O A13837 [1,0,0,0,0,0|1,0,1]=3 132 B9R1.6 CC(c1ccccc1)S H26345 [1,0,0,0,0,0|1,1,1]=4 133 B9R1.6 CC(c1ccccc1)[Zn+] H58185 [1,0,0,0,0,0|2,0,1]=4 134 B9R1.6 CC(c1ccncc1)O H58711 [1,0,0,0,0,0|2,0,1]=4 135 B9R1.6 CN(C)c1ccccc1 A11916 [1,0,0,0,0,0|3,0,0]=4 136 B9R1.6 CN(c1ccccc1)N B22440 [1,0,0,0,0,0|3,0,0]=4 137 B9R1.6 CP(C)c1ccccc1 A17975 [1,0,0,0,0,0|3,0,0]=4 138 B9R1.6 CS(=O)c1ccccc1 A15009 [1,0,0,0,0,0|2,0,0]=3 139 B9R1.6 C[C@@H](c1ccccc1)N A12632 [1,0,0,0,0,0|2,0,1]=4 140 B9R1.6 C[C@@H](c1ccccc1)N L19118 [1,0,0,0,0,0|2,0,1]=4 141 B9R1.6 C[C@@H](c1ccccc1)O B21188 [1,0,0,0,0,0|1,0,1]=3 142 B9R1.6 C[C@H](c1ccccc1)N A10967 [1,0,0,0,0,0|2,0,1]=4 143 B9R1.6 C[C@H](c1ccccc1)N L19117 [1,0,0,0,0,0|2,0,1]=4 144 B9R1.6 C[C@H](c1ccccc1)O L19296 [1,0,0,0,0,0|1,0,1]=3 145 B9R1.6 C[C@H](c1ccncc1)O H51033 [1,0,0,0,0,0|2,0,1]=4 146 B9R1.6 C[SiH](C)c1ccccc1 L04558 [1,0,0,0,0,0|2,1,0]=4 147 B9R1.6 [2H]C(=O)c1ccccc1 H51103 [1,0,0,0,0,0|1,0,0]=2 148 B9R1.6 c1c(cncn1)C(=O)O H61406 [1,0,0,0,0,0|2,0,0]=3 149 B9R1.6 c1cc(cnc1)C(=N)N B20406 [1,0,0,0,0,0|3,0,0]=4 150 B9R1.6 c1cc(cnc1)C(=O)Cl A15317 [1,0,0,0,0,0|2,0,0]=3 151 B9R1.6 c1cc(cnc1)C(=O)N A15970 [1,0,0,0,0,0|2,0,0]=3 152 B9R1.6 c1cc(cnc1)C(=O)O A12683 [1,0,0,0,0,0|1,0,0]=2 153 B9R1.6 c1cc(cnc1)C(=O)[O-] B22224 [1,0,0,0,0,0|1,0,1]=3 154 B9R1.6 c1cc(cnc1)C(=S)N A11144 [1,0,0,0,0,0|2,1,0]=4 155 B9R1.6 c1cc(cnc1)[N+](=O)[O-] L19627 [1,0,0,0,0,0|2,0,1]=4 156 B9R1.6 c1cc(nnc1)C(=O)O H34341 [1,0,0,0,0,0|2,0,0]=3 157 B9R1.6 c1ccc(cc1)C(=N)N A16002 [1,0,0,0,0,0|2,0,0]=3 158 B9R1.6 c1ccc(cc1)C(=O)Cl A14107 [1,0,0,0,0,0|1,0,0]=2 159 B9R1.6 c1ccc(cc1)C(=O)Cl L19460 [1,0,0,0,0,0|1,0,0]=2 160 B9R1.6 c1ccc(cc1)C(=O)F L11464 [1,0,0,0,0,0|1,0,0]=2 161 B9R1.6 c1ccc(cc1)C(=O)N A10501 [1,0,0,0,0,0|1,0,0]=2 162 B9R1.6 c1ccc(cc1)C(=O)O 36230 [1,0,0,0,0,0|0,0,0]=1 163 B9R1.6 c1ccc(cc1)C(=O)O A14062 [1,0,0,0,0,0|0,0,0]=1 164 B9R1.6 c1ccc(cc1)C(=O)O H25864 [1,0,0,0,0,0|0,0,0]=1 165 B9R1.6 c1ccc(cc1)C(=O)O L19473 [1,0,0,0,0,0|0,0,0]=1 166 B9R1.6 c1ccc(cc1)C(=O)[O-] 11896 [1,0,0,0,0,0|0,0,1]=2 167 B9R1.6 c1ccc(cc1)C(=O)[O-] 30753 [1,0,0,0,0,0|0,0,1]=2 168 B9R1.6 c1ccc(cc1)C(=O)[O-] 87380 [1,0,0,0,0,0|0,0,1]=2 169 B9R1.6 c1ccc(cc1)C(=O)[O-] A11610 [1,0,0,0,0,0|0,0,1]=2 170 B9R1.6 c1ccc(cc1)C(=O)[O-] A12358 [1,0,0,0,0,0|0,0,1]=2 171 B9R1.6 c1ccc(cc1)C(=O)[O-] A15946 [1,0,0,0,0,0|0,0,1]=2 172 B9R1.6 c1ccc(cc1)C(=O)[O-] A16571 [1,0,0,0,0,0|0,0,1]=2 173 B9R1.6 c1ccc(cc1)C(=S)N A12973 [1,0,0,0,0,0|1,1,0]=3 174 B9R1.6 c1ccc(cc1)C(=S)O B24458 [1,0,0,0,0,0|0,1,0]=2 175 B9R1.6 c1ccc(cc1)C(=S)[O-] H61741 [1,0,0,0,0,0|0,1,1]=3 176 B9R1.6 c1ccc(cc1)P(=O)O A17453 [1,0,0,0,0,0|1,0,0]=2 177 B9R1.6 c1ccc(cc1)P(Cl)Cl A10284 [1,0,0,0,0,0|3,0,0]=4 178 B9R1.6 c1ccc(cc1)S(=O)[O-] A12118 [1,0,0,0,0,0|1,0,1]=3 179 B9R1.6 c1ccc(cc1)S(=O)[O-] A16614 [1,0,0,0,0,0|1,0,1]=3 180 B9R1.6 c1ccc(cc1)S(=O)[O-] B25576 [1,0,0,0,0,0|1,0,1]=3 181 B9R1.6 c1ccc(cc1)[N+](=O)[O-] A10585 [1,0,0,0,0,0|1,0,1]=3 182 B9R1.6 c1ccc(cc1)[SiH](Cl)Cl L04371 [1,0,0,0,0,0|2,1,0]=4 183 B9R1.6 c1ccnc(c1)C(=N)N A10942 [1,0,0,0,0,0|3,0,0]=4 184 B9R1.6 c1ccnc(c1)C(=O)N A15410 [1,0,0,0,0,0|2,0,0]=3 185 B9R1.6 c1ccnc(c1)C(=O)O A14749 [1,0,0,0,0,0|1,0,0]=2 186 B9R1.6 c1ccnc(c1)C(=S)N H51710 [1,0,0,0,0,0|2,1,0]=4 187 B9R1.6 c1ccnc(c1)[N+](=O)[O-] H33657 [1,0,0,0,0,0|2,0,1]=4 188 B9R1.6 c1cnc(cn1)C(=O)Cl H50418 [1,0,0,0,0,0|3,0,0]=4 189 B9R1.6 c1cnc(cn1)C(=O)O A13363 [1,0,0,0,0,0|2,0,0]=3 190 B9R1.6 c1cnc(nc1)C(=O)O H54745 [1,0,0,0,0,0|2,0,0]=3 191 B9R1.6 c1cnccc1C(=N)N A11050 [1,0,0,0,0,0|3,0,0]=4 192 B9R1.6 c1cnccc1C(=O)Cl A10863 [1,0,0,0,0,0|2,0,0]=3 193 B9R1.6 c1cnccc1C(=O)N A18190 [1,0,0,0,0,0|2,0,0]=3 194 B9R1.6 c1cnccc1C(=O)O A18109 [1,0,0,0,0,0|1,0,0]=2 195 B9R1.6 c1cnccc1C(=S)N B25265 [1,0,0,0,0,0|2,1,0]=4 196 B9R1.6 c1cncnc1C(=O)O H60022 [1,0,0,0,0,0|2,0,0]=3 197 B9R1.6 c1cnncc1C(=O)O H27246 [1,0,0,0,0,0|2,0,0]=3 198 B9R1.15 C#Cc1ccccc1Cl H53441 [1,0,0,0,0,0|2,0,1]=4 199 B9R1.15 C#Cc1ccccc1F H60596 [1,0,0,0,0,0|2,0,1]=4 200 B9R1.15 C=Cc1ccccc1Br B24181 [1,0,0,0,0,0|2,0,0]=3 201 B9R1.15 C=Cc1ccccc1Cl B21551 [1,0,0,0,0,0|2,0,0]=3 202 B9R1.15 C=Cc1ccccc1F A17425 [1,0,0,0,0,0|2,0,0]=3 203 B9R1.15 CCc1ccccc1Br B23449 [1,0,0,0,0,0|2,0,1]=4 204 B9R1.15 CCc1ccccc1C L02028 [1,0,0,0,0,0|2,0,1]=4 205 B9R1.15 CCc1ccccc1I A14509 [1,0,0,0,0,0|2,0,1]=4 206 B9R1.15 CCc1ccccc1N A14984 [1,0,0,0,0,0|2,0,1]=4 207 B9R1.15 CCc1ccccc1O L01637 [1,0,0,0,0,0|1,0,1]=3 208 B9R1.15 CCc1ccccc1S L11498 [1,0,0,0,0,0|1,1,1]=4 209 B9R1.15 CCc1ccccc1[Zn+] H58221 [1,0,0,0,0,0|2,0,1]=4 210 B9R1.15 CNc1ccccc1Br H55166 [1,0,0,0,0,0|3,0,0]=4 211 B9R1.15 CNc1ccccc1Cl A14343 [1,0,0,0,0,0|3,0,0]=4 212 B9R1.15 COc1ccccc1Br A11692 [1,0,0,0,0,0|3,0,0]=4 213 B9R1.15 COc1ccccc1Cl L06952 [1,0,0,0,0,0|3,0,0]=4 214 B9R1.15 COc1ccccc1F A12380 [1,0,0,0,0,0|3,0,0]=4 215 B9R1.15 COc1ccccc1I A10150 [1,0,0,0,0,0|3,0,0]=4 216 B9R1.15 COc1ccccc1N A10288 [1,0,0,0,0,0|3,0,0]=4 217 B9R1.15 COc1ccccc1O A16319 [1,0,0,0,0,0|2,0,0]=3 218 B9R1.15 COc1ccccc1S L09689 [1,0,0,0,0,0|2,1,0]=4 219 B9R1.15 COc1ccccc1[Mg+] H54579 [1,0,0,0,0,0|3,0,0]=4 220 B9R1.15 COc1ccccc1[Zn+] H58341 [1,0,0,0,0,0|3,0,0]=4 221 B9R1.15 CSc1ccccc1Br A13632 [1,0,0,0,0,0|3,0,0]=4 222 B9R1.15 CSc1ccccc1I A14051 [1,0,0,0,0,0|3,0,0]=4 223 B9R1.15 CSc1ccccc1N A12762 [1,0,0,0,0,0|3,0,0]=4 224 B9R1.15 CSc1ccccc1O L10128 [1,0,0,0,0,0|2,0,0]=3 225 B9R1.15 Cc1ccccc1C#N B22231 [1,0,0,0,0,0|2,0,1]=4 226 B9R1.15 Cc1ccccc1C=C A12676 [1,0,0,0,0,0|2,0,0]=3 227 B9R1.15 Cc1ccccc1C=O A10172 [1,0,0,0,0,0|1,0,0]=2 228 B9R1.15 Cc1ccccc1CBr B21717 [1,0,0,0,0,0|2,0,1]=4 229 B9R1.15 Cc1ccccc1CCl A13448 [1,0,0,0,0,0|2,0,1]=4 230 B9R1.15 Cc1ccccc1CN L05243 [1,0,0,0,0,0|2,0,1]=4 231 B9R1.15 Cc1ccccc1CO A12696 [1,0,0,0,0,0|1,0,1]=3 232 B9R1.15 Cc1ccccc1CS A15816 [1,0,0,0,0,0|1,1,1]=4 233 B9R1.15 Cc1ccccc1C[Mg+] H54170 [1,0,0,0,0,0|2,0,1]=4 234 B9R1.15 Cc1ccccc1NN A15767 [1,0,0,0,0,0|3,0,0]=4 235 B9R1.15 Cc1ccccc1OC A13897 [1,0,0,0,0,0|3,0,0]=4 236 B9R1.15 Cc1cccnc1C=O H56168 [1,0,0,0,0,0|2,0,0]=3 237 B9R1.15 c1c(c(ncn1)N)C=O H35706 [1,0,0,0,0,0|3,0,0]=4 238 B9R1.15 c1cc(c(nc1)Br)CO H52318 [1,0,0,0,0,0|2,0,1]=4 239 B9R1.15 c1cc(c(nc1)C=O)F H61902 [1,0,0,0,0,0|2,0,0]=3 240 B9R1.15 c1cc(c(nc1)CBr)O L19525 [1,0,0,0,0,0|2,0,1]=4 241 B9R1.15 c1cc(c(nc1)Cl)C=O H53399 [1,0,0,0,0,0|2,0,0]=3 242 B9R1.15 c1cc(c(nc1)Cl)CO H63341 [1,0,0,0,0,0|2,0,1]=4 243 B9R1.15 c1cc(c(nc1)N)C=O L19620 [1,0,0,0,0,0|2,0,0]=3 244 B9R1.15 c1cc(c(nc1)N)CO H50010 [1,0,0,0,0,0|2,0,1]=4 245 B9R1.15 c1ccc(c(c1)C#N)Br A10679 [1,0,0,0,0,0|2,0,1]=4 246 B9R1.15 c1ccc(c(c1)C#N)Cl B20451 [1,0,0,0,0,0|2,0,1]=4 247 B9R1.15 c1ccc(c(c1)C#N)F A14375 [1,0,0,0,0,0|2,0,1]=4 248 B9R1.15 c1ccc(c(c1)C#N)N A12286 [1,0,0,0,0,0|2,0,1]=4 249 B9R1.15 c1ccc(c(c1)C#N)O A13606 [1,0,0,0,0,0|1,0,1]=3 250 B9R1.15 c1ccc(c(c1)C#N)[Zn+] H58272 [1,0,0,0,0,0|2,0,1]=4 251 B9R1.15 c1ccc(c(c1)C=O)Br A15065 [1,0,0,0,0,0|1,0,0]=2 252 B9R1.15 c1ccc(c(c1)C=O)Cl A13488 [1,0,0,0,0,0|1,0,0]=2 253 B9R1.15 c1ccc(c(c1)C=O)F A13800 [1,0,0,0,0,0|1,0,0]=2 254 B9R1.15 c1ccc(c(c1)C=O)I L17446 [1,0,0,0,0,0|1,0,0]=2 255 B9R1.15 c1ccc(c(c1)C=O)O A13833 [1,0,0,0,0,0|0,0,0]=1 256 B9R1.15 c1ccc(c(c1)CBr)Br A11285 [1,0,0,0,0,0|2,0,1]=4 257 B9R1.15 c1ccc(c(c1)CBr)Cl A12129 [1,0,0,0,0,0|2,0,1]=4 258 B9R1.15 c1ccc(c(c1)CBr)F A12692 [1,0,0,0,0,0|2,0,1]=4 259 B9R1.15 c1ccc(c(c1)CBr)I B21715 [1,0,0,0,0,0|2,0,1]=4 260 B9R1.15 c1ccc(c(c1)CCl)Br L11953 [1,0,0,0,0,0|2,0,1]=4 261 B9R1.15 c1ccc(c(c1)CCl)Cl A11900 [1,0,0,0,0,0|2,0,1]=4 262 B9R1.15 c1ccc(c(c1)CCl)F A11566 [1,0,0,0,0,0|2,0,1]=4 263 B9R1.15 c1ccc(c(c1)CN)Br A12412 [1,0,0,0,0,0|2,0,1]=4 264 B9R1.15 c1ccc(c(c1)CN)Br A18151 [1,0,0,0,0,0|2,0,1]=4 265 B9R1.15 c1ccc(c(c1)CN)Cl A15594 [1,0,0,0,0,0|2,0,1]=4 266 B9R1.15 c1ccc(c(c1)CN)F A15623 [1,0,0,0,0,0|2,0,1]=4 267 B9R1.15 c1ccc(c(c1)CO)Br A15700 [1,0,0,0,0,0|1,0,1]=3 268 B9R1.15 c1ccc(c(c1)CO)Cl A13657 [1,0,0,0,0,0|1,0,1]=3 269 B9R1.15 c1ccc(c(c1)CO)F A14791 [1,0,0,0,0,0|1,0,1]=3 270 B9R1.15 c1ccc(c(c1)CO)I L15126 [1,0,0,0,0,0|1,0,1]=3 271 B9R1.15 c1ccc(c(c1)CO)N A13180 [1,0,0,0,0,0|1,0,1]=3 272 B9R1.15 c1ccc(c(c1)CO)O A14410 [1,0,0,0,0,0|0,0,1]=2 273 B9R1.15 c1ccc(c(c1)CO)S L11536 [1,0,0,0,0,0|0,1,1]=3 274 B9R1.15 c1ccc(c(c1)CS)Br H26247 [1,0,0,0,0,0|1,1,1]=4 275 B9R1.15 c1ccc(c(c1)CS)Cl A15826 [1,0,0,0,0,0|1,1,1]=4 276 B9R1.15 c1ccc(c(c1)C[Mg+])Br H60066 [1,0,0,0,0,0|2,0,1]=4 277 B9R1.15 c1ccc(c(c1)C[Mg+])Cl H54820 [1,0,0,0,0,0|2,0,1]=4 278 B9R1.15 c1ccc(c(c1)C[Mg+])F H54881 [1,0,0,0,0,0|2,0,1]=4 279 B9R1.15 c1ccc(c(c1)C[Zn+])Br H58678 [1,0,0,0,0,0|2,0,1]=4 280 B9R1.15 c1ccc(c(c1)C[Zn+])F H58614 [1,0,0,0,0,0|2,0,1]=4 281 B9R1.15 c1ccc(c(c1)NN)Br B23966 [1,0,0,0,0,0|3,0,0]=4 282 B9R1.15 c1ccc(c(c1)NN)Cl A14136 [1,0,0,0,0,0|3,0,0]=4 283 B9R1.15 c1ccc(c(c1)NN)F A13716 [1,0,0,0,0,0|3,0,0]=4 284 B9R1.15 c1cncc(c1C=O)Cl H55852 [1,0,0,0,0,0|2,0,0]=3 285 B9R1.15 c1cncc(c1C=O)N H50024 [1,0,0,0,0,0|2,0,0]=3 286 B9R1.15 c1cncc(c1Cl)CO H66522 [1,0,0,0,0,0|2,0,1]=4 287 B9R1.15 c1cncc(c1N)C=O H50028 [1,0,0,0,0,0|2,0,0]=3 288 B9R1.15 c1cncc(c1N)CO H50033 [1,0,0,0,0,0|2,0,1]=4 289 B11R1.53 B(c1ccccc1C#N)(O)O H52609 [0,1,0,0,0,0|2,0,1]=4 290 B11R1.53 B(c1ccccc1C=C)(O)O L19828 [0,1,0,0,0,0|2,0,1]=4 291 B11R1.53 B(c1ccccc1C=O)(O)O B25434 [0,1,0,0,0,0|1,0,2]=4 292 B11R1.53 B(c1ccccc1CBr)(O)O H52467 [0,1,0,0,0,0|2,0,1]=4 293 B11R1.53 B(c1ccccc1CC)(O)O L17719 [0,1,0,0,0,0|2,0,1]=4 294 B11R1.53 B(c1ccccc1CO)(O)O H52442 [0,1,0,0,0,0|1,0,1]=3 295 B11R1.53 B(c1ccccc1OC)(O)O B21071 [0,1,0,0,0,0|1,0,1]=3 296 B11R1.53 B(c1ccccc1SC)(O)O L17456 [0,1,0,0,0,0|1,1,1]=4 297 B11R1.53 B(c1cccnc1OC)(O)O L20094 [0,1,0,0,0,0|2,0,1]=4 298 B11R1.53 C=Cc1ccccc1C(=O)O H31723 [0,1,0,0,0,0|1,0,0]=2 299 B11R1.53 CC(=O)c1ccccc1OC A11929 [0,1,0,0,0,0|1,0,0]=2 300 B11R1.53 CC(C)c1ccccc1OC H53383 [0,1,0,0,0,0|2,0,1]=4 301 B11R1.53 CNc1ccccc1C(=O)O B20531 [0,1,0,0,0,0|1,0,0]=2 302 B11R1.53 CNc1ccccc1[N+](=O)[O-] A19538 [0,1,0,0,0,0|2,0,1]=4 303 B11R1.53 COc1c(cccn1)C(=O)O A13193 [0,1,0,0,0,0|1,0,0]=2 304 B11R1.53 COc1c(cccn1)[N+](=O)[O-] A18306 [0,1,0,0,0,0|2,0,1]=4 305 B11R1.53 COc1ccccc1C(=O)Cl B22784 [0,1,0,0,0,0|1,0,0]=2 306 B11R1.53 COc1ccccc1C(=O)N A12520 [0,1,0,0,0,0|1,0,0]=2 307 B11R1.53 COc1ccccc1C(=O)O A13513 [0,1,0,0,0,0|0,0,0]=1 308 B11R1.53 COc1ccccc1C(=S)N H32737 [0,1,0,0,0,0|1,1,0]=3 309 B11R1.53 COc1ccccc1[N+](=O)[O-] A19518 [0,1,0,0,0,0|1,0,1]=3 310 B11R1.53 COc1cccnc1[N+](=O)[O-] H33676 [0,1,0,0,0,0|2,0,1]=4 311 B11R1.53 COc1ccncc1[N+](=O)[O-] A15110 [0,1,0,0,0,0|2,0,1]=4 312 B11R1.53 COc1ccncc1[N+](=O)[O-] A18162 [0,1,0,0,0,0|2,0,1]=4 313 B11R1.53 CSc1c(cccn1)C(=O)Cl A17916 [0,1,0,0,0,0|2,1,0]=4 314 B11R1.53 CSc1c(cccn1)C(=O)O L09920 [0,1,0,0,0,0|1,1,0]=3 315 B11R1.53 CSc1ccccc1C(=O)O A10379 [0,1,0,0,0,0|0,1,0]=2 316 B11R1.53 C[C@@H](c1ccccc1OC)N H26948 [0,1,0,0,0,0|2,0,1]=4 317 B11R1.53 C[C@H](c1ccccc1OC)N H27669 [0,1,0,0,0,0|2,0,1]=4 318 B11R1.53 c1ccc(c(c1)C#N)C(=O)N B21596 [0,1,0,0,0,0|2,0,0]=3 319 B11R1.53 c1ccc(c(c1)C#N)C(=O)O H50237 [0,1,0,0,0,0|1,0,0]=2 320 B11R1.53 c1ccc(c(c1)C#N)[N+](=O)[O-] A10941 [0,1,0,0,0,0|2,0,1]=4 321 B11R1.53 c1ccc(c(c1)C(=O)O)I=O L15606 [0,1,0,0,0,0|0,0,1]=2 322 B11R1.53 c1ccc(c(c1)C(=O)O)NN L11015 [0,1,0,0,0,0|1,0,0]=2 323 B11R1.53 c1ccc(c(c1)C=O)C(=O)O A11201 [0,1,0,0,0,0|0,0,1]=2 324 B11R1.53 c1ccc(c(c1)C=O)[N+](=O)[O-] A11501 [0,1,0,0,0,0|1,0,2]=4 325 B11R1.53 c1ccc(c(c1)CBr)C(=O)O H28927 [0,1,0,0,0,0|1,0,0]=2 326 B11R1.53 c1ccc(c(c1)CBr)[N+](=O)[O-] A13127 [0,1,0,0,0,0|2,0,1]=4 327 B11R1.53 c1ccc(c(c1)CCl)[N+](=O)[O-] L13599 [0,1,0,0,0,0|2,0,1]=4 328 B11R1.53 c1ccc(c(c1)CN)[N+](=O)[O-] A18900 [0,1,0,0,0,0|2,0,1]=4 329 B11R1.53 c1ccc(c(c1)CO)[N+](=O)[O-] A15496 [0,1,0,0,0,0|1,0,1]=3 330 B11R1.53 c1ccc(c(c1)[N+](=O)[O-])SCl B23627 [0,1,0,0,0,0|1,1,1]=4 331 B11R1.87 CC(C)(C)c1ccccc1O L07294 [0,1,0,0,0,0|2,0,1]=4 332 B11R1.87 Cc1ccccc1S(=O)(=O)Cl L18983 [0,1,0,0,0,0|2,0,1]=4 333 B11R1.87 Cc1ccccc1S(=O)(=O)N B20544 [0,1,0,0,0,0|2,0,1]=4 334 B11R1.87 c1ccc(c(c1)C(F)(F)F)O A14231 [0,1,0,0,0,0|2,0,1]=4 335 B11R1.87 c1ccc(c(c1)F)S(=O)(=O)Cl A14181 [0,1,0,0,0,0|2,0,1]=4 336 B11R1.87 c1ccc(c(c1)F)S(=O)(=O)N H61743 [0,1,0,0,0,0|2,0,1]=4 337 B11R1.87 c1ccc(c(c1)N)S(=O)(=O)N B21912 [0,1,0,0,0,0|2,0,1]=4 338 B11R1.87 c1ccc(c(c1)N)S(=O)(=O)O H31763 [0,1,0,0,0,0|2,0,0]=3 339 B11R1.87 c1ccc(c(c1)S(=O)(=O)Cl)Br A13645 [0,1,0,0,0,0|2,0,1]=4 340 B11R1.87 c1ccc(c(c1)S(=O)(=O)Cl)Cl A14054 [0,1,0,0,0,0|2,0,1]=4 341 B11R1.87 c1ccc(c(c1)S(=O)(=O)N)Br L17578 [0,1,0,0,0,0|2,0,1]=4 342 B11R1.87 c1ccc(c(c1)S(=O)(=O)N)Cl L09082 [0,1,0,0,0,0|2,0,1]=4 343 B11R1.87 c1cncc(c1N)S(=O)(=O)O H25955 [0,1,0,0,0,0|3,0,0]=4 344 B11R1.87 c1cncc(c1O)S(=O)(=O)O L20046 [0,1,0,0,0,0|2,0,0]=3 345 B11R1.156 B(c1c(cccc1Br)F)(O)O H53071 [0,1,0,0,0,0|2,0,1]=4 346 B11R1.156 B(c1c(cccc1C)C)(O)O B24613 [0,1,0,0,0,0|2,0,1]=4 347 B11R1.156 B(c1c(cccc1Cl)Cl)(O)O L19816 [0,1,0,0,0,0|2,0,1]=4 348 B11R1.156 B(c1c(cccc1Cl)F)(O)O H53079 [0,1,0,0,0,0|2,0,1]=4 349 B11R1.156 B(c1c(cccc1F)F)(O)O B22805 [0,1,0,0,0,0|2,0,1]=4 350 B11R1.156 CC(=O)c1c(cccc1Br)F H62361 [0,1,0,0,0,0|2,0,0]=3 351 B11R1.156 CC(=O)c1c(cccc1Cl)Cl L06348 [0,1,0,0,0,0|2,0,0]=3 352 B11R1.156 CC(=O)c1c(cccc1Cl)F B24067 [0,1,0,0,0,0|2,0,0]=3 353 B11R1.156 CC(=O)c1c(cccc1F)F A10220 [0,1,0,0,0,0|2,0,0]=3 354 B11R1.156 CC(=O)c1c(cccc1F)O H26130 [0,1,0,0,0,0|1,0,0]=2 355 B11R1.156 CC(=O)c1c(cccc1O)O A14627 [0,1,0,0,0,0|1,0,0]=2 356 B11R1.156 CC(c1c(cccc1Cl)Cl)O L12350 [0,1,0,0,0,0|2,0,1]=4 357 B11R1.156 CC(c1c(cccc1F)F)O H32771 [0,1,0,0,0,0|2,0,1]=4 358 B11R1.156 Cc1cccc(c1C(=O)N)Cl L18853 [0,1,0,0,0,0|2,0,0]=3 359 B11R1.156 Cc1cccc(c1C(=O)O)Br L20149 [0,1,0,0,0,0|1,0,0]=2 360 B11R1.156 Cc1cccc(c1C(=O)O)C A15014 [0,1,0,0,0,0|1,0,0]=2 361 B11R1.156 Cc1cccc(c1C(=O)O)Cl L18348 [0,1,0,0,0,0|1,0,0]=2 362 B11R1.156 Cc1cccc(c1C(=O)O)N A15187 [0,1,0,0,0,0|1,0,0]=2 363 B11R1.156 Cc1cccc(c1[N+](=O)[O-])C L05546 [0,1,0,0,0,0|2,0,1]=4 364 B11R1.156 Cc1cccc(c1[N+](=O)[O-])F H63574 [0,1,0,0,0,0|2,0,1]=4 365 B11R1.156 Cc1ccnc(c1[N+](=O)[O-])O H61586 [0,1,0,0,0,0|2,0,1]=4 366 B11R1.156 c1cc(c(c(c1)Br)C(=O)O)Cl H32269 [0,1,0,0,0,0|1,0,0]=2 367 B11R1.156 c1cc(c(c(c1)Br)C(=O)O)F H61251 [0,1,0,0,0,0|1,0,0]=2 368 B11R1.156 c1cc(c(c(c1)Br)C(=O)O)N H32106 [0,1,0,0,0,0|1,0,0]=2 369 B11R1.156 c1cc(c(c(c1)Br)[N+](=O)[O-])N H61169 [0,1,0,0,0,0|2,0,1]=4 370 B11R1.156 c1cc(c(c(c1)Cl)C(=O)Cl)Cl A14839 [0,1,0,0,0,0|2,0,0]=3 371 B11R1.156 c1cc(c(c(c1)Cl)C(=O)Cl)F B23762 [0,1,0,0,0,0|2,0,0]=3 372 B11R1.156 c1cc(c(c(c1)Cl)C(=O)N)Cl A10865 [0,1,0,0,0,0|2,0,0]=3 373 B11R1.156 c1cc(c(c(c1)Cl)C(=O)N)F B21294 [0,1,0,0,0,0|2,0,0]=3 374 B11R1.156 c1cc(c(c(c1)Cl)C(=O)O)Cl A10542 [0,1,0,0,0,0|1,0,0]=2 375 B11R1.156 c1cc(c(c(c1)Cl)C(=O)O)F A11250 [0,1,0,0,0,0|1,0,0]=2 376 B11R1.156 c1cc(c(c(c1)Cl)C(=O)O)N A10890 [0,1,0,0,0,0|1,0,0]=2 377 B11R1.156 c1cc(c(c(c1)Cl)C(=S)N)Cl H26636 [0,1,0,0,0,0|2,1,0]=4 378 B11R1.156 c1cc(c(c(c1)F)C(=O)Cl)F A11286 [0,1,0,0,0,0|2,0,0]=3 379 B11R1.156 c1cc(c(c(c1)F)C(=O)N)F A11685 [0,1,0,0,0,0|2,0,0]=3 380 B11R1.156 c1cc(c(c(c1)F)C(=O)O)F A14558 [0,1,0,0,0,0|1,0,0]=2 381 B11R1.156 c1cc(c(c(c1)F)C(=O)O)N A10919 [0,1,0,0,0,0|1,0,0]=2 382 B11R1.156 c1cc(c(c(c1)F)C(=O)O)O L10907 [0,1,0,0,0,0|0,0,0]=1 383 B11R1.156 c1cc(c(c(c1)F)[N+](=O)[O-])F H55694 [0,1,0,0,0,0|2,0,1]=4 384 B11R1.156 c1cc(c(c(c1)F)[N+](=O)[O-])N H61843 [0,1,0,0,0,0|2,0,1]=4 385 B11R1.156 c1cc(c(c(c1)F)[N+](=O)[O-])O H61670 [0,1,0,0,0,0|1,0,1]=3 386 B11R1.156 c1cc(c(c(c1)I)C(=O)O)F L07924 [0,1,0,0,0,0|1,0,0]=2 387 B11R1.156 c1cc(c(c(c1)O)C(=O)N)O L08424 [0,1,0,0,0,0|1,0,0]=2 388 B11R1.156 c1cc(c(c(c1)O)C(=O)O)O A14485 [0,1,0,0,0,0|0,0,0]=1 389 B11R1.156 c1cc(c(c(c1)O)[N+](=O)[O-])O A12970 [0,1,0,0,0,0|1,0,1]=3 390 B11R1.156 c1cnc(c(c1Cl)C(=O)O)Cl H58239 [0,1,0,0,0,0|2,0,0]=3 391 B11R1.156 c1cnc(c(c1I)C(=O)O)Cl H50049 [0,1,0,0,0,0|2,0,0]=3 392 B11R1.156 c1cnc(c(c1O)[N+](=O)[O-])O L14933 [0,1,0,0,0,0|2,0,1]=4 393 B11R1.156 c1nc(c(c(n1)Cl)C(=O)O)Cl H63976 [0,1,0,0,0,0|3,0,0]=4 394 B11R1.159 B(c1cccc(c1C)C)(O)O B23942 [0,1,0,0,0,0|2,0,1]=4 395 B11R1.159 B(c1cccc(c1C)Cl)(O)O H30893 [0,1,0,0,0,0|2,0,1]=4 396 B11R1.159 B(c1cccc(c1C)F)(O)O H52752 [0,1,0,0,0,0|2,0,1]=4 397 B11R1.159 B(c1cccc(c1Cl)Cl)(O)O B22781 [0,1,0,0,0,0|2,0,1]=4 398 B11R1.159 B(c1cccc(c1Cl)F)(O)O H52591 [0,1,0,0,0,0|2,0,1]=4 399 B11R1.159 B(c1cccc(c1F)Br)(O)O H64775 [0,1,0,0,0,0|2,0,1]=4 400 B11R1.159 B(c1cccc(c1F)Cl)(O)O H52665 [0,1,0,0,0,0|2,0,1]=4 401 B11R1.159 B(c1cccc(c1F)F)(O)O L18012 [0,1,0,0,0,0|2,0,1]=4 402 B11R1.159 CC(=O)c1cccc(c1Cl)Cl A12667 [0,1,0,0,0,0|2,0,0]=3 403 B11R1.159 CC(=O)c1cccc(c1F)Br H62708 [0,1,0,0,0,0|2,0,0]=3 404 B11R1.159 CC(=O)c1cccc(c1F)Cl H26474 [0,1,0,0,0,0|2,0,0]=3 405 B11R1.159 CC(=O)c1cccc(c1F)F A16786 [0,1,0,0,0,0|2,0,0]=3 406 B11R1.159 CC(=O)c1cccc(c1O)F H32854 [0,1,0,0,0,0|1,0,0]=2 407 B11R1.159 CC(c1cccc(c1F)Br)O H64736 [0,1,0,0,0,0|2,0,1]=4 408 B11R1.159 Cc1c(cccc1Br)C(=O)O H55436 [0,1,0,0,0,0|1,0,0]=2 409 B11R1.159 Cc1c(cccc1Br)[N+](=O)[O-] B21658 [0,1,0,0,0,0|2,0,1]=4 410 B11R1.159 Cc1c(cccc1Cl)C(=O)O L15773 [0,1,0,0,0,0|1,0,0]=2 411 B11R1.159 Cc1c(cccc1Cl)[N+](=O)[O-] B23675 [0,1,0,0,0,0|2,0,1]=4 412 B11R1.159 Cc1c(cccc1F)C(=O)C H32221 [0,1,0,0,0,0|2,0,0]=3 413 B11R1.159 Cc1c(cccc1F)C(=O)O H31887 [0,1,0,0,0,0|1,0,0]=2 414 B11R1.159 Cc1c(cccc1F)[N+](=O)[O-] L20093 [0,1,0,0,0,0|2,0,1]=4 415 B11R1.159 Cc1c(cccc1N)C(=O)O B24947 [0,1,0,0,0,0|1,0,0]=2 416 B11R1.159 Cc1c(cccc1O)C(=O)O L13743 [0,1,0,0,0,0|1,0,0]=2 417 B11R1.159 Cc1c(cccc1O)[N+](=O)[O-] A13002 [0,1,0,0,0,0|2,0,1]=4 418 B11R1.159 Cc1c(cccc1[N+](=O)[O-])N A10347 [0,1,0,0,0,0|2,0,1]=4 419 B11R1.159 Cc1cccc(c1Br)C(=O)O H32490 [0,1,0,0,0,0|1,0,0]=2 420 B11R1.159 Cc1cccc(c1C)C(=O)Cl H25873 [0,1,0,0,0,0|2,0,0]=3 421 B11R1.159 Cc1cccc(c1C)C(=O)N A13585 [0,1,0,0,0,0|2,0,0]=3 422 B11R1.159 Cc1cccc(c1C)C(=O)O A10383 [0,1,0,0,0,0|1,0,0]=2 423 B11R1.159 Cc1cccc(c1C)[N+](=O)[O-] B24917 [0,1,0,0,0,0|2,0,1]=4 424 B11R1.159 Cc1cccc(c1Cl)[N+](=O)[O-] H56130 [0,1,0,0,0,0|2,0,1]=4 425 B11R1.159 Cc1cccc(c1F)C(=O)O A12280 [0,1,0,0,0,0|1,0,0]=2 426 B11R1.159 Cc1cccc(c1F)[N+](=O)[O-] H63173 [0,1,0,0,0,0|2,0,1]=4 427 B11R1.159 Cc1cccc(c1I)C(=O)O L19876 [0,1,0,0,0,0|1,0,0]=2 428 B11R1.159 Cc1cccc(c1N)C(=O)O B24230 [0,1,0,0,0,0|1,0,0]=2 429 B11R1.159 Cc1cccc(c1N)[N+](=O)[O-] L01803 [0,1,0,0,0,0|2,0,1]=4 430 B11R1.159 Cc1cccc(c1O)C(=O)O L15825 [0,1,0,0,0,0|0,0,0]=1 431 B11R1.159 c1cc(c(c(c1)Br)F)C(=O)N H62619 [0,1,0,0,0,0|2,0,0]=3 432 B11R1.159 c1cc(c(c(c1)Br)F)C(=O)O H50235 [0,1,0,0,0,0|1,0,0]=2 433 B11R1.159 c1cc(c(c(c1)Br)N)C(=O)O H61925 [0,1,0,0,0,0|1,0,0]=2 434 B11R1.159 c1cc(c(c(c1)Br)O)[N+](=O)[O-] H27326 [0,1,0,0,0,0|1,0,1]=3 435 B11R1.159 c1cc(c(c(c1)Cl)Cl)C(=O)Cl L09506 [0,1,0,0,0,0|2,0,0]=3 436 B11R1.159 c1cc(c(c(c1)Cl)Cl)C(=O)N A17265 [0,1,0,0,0,0|2,0,0]=3 437 B11R1.159 c1cc(c(c(c1)Cl)Cl)C(=O)O A10522 [0,1,0,0,0,0|1,0,0]=2 438 B11R1.159 c1cc(c(c(c1)Cl)Cl)C(=S)N H26761 [0,1,0,0,0,0|2,1,0]=4 439 B11R1.159 c1cc(c(c(c1)Cl)Cl)[N+](=O)[O-] A15037 [0,1,0,0,0,0|2,0,1]=4 440 B11R1.159 c1cc(c(c(c1)Cl)F)C(=O)Cl B23849 [0,1,0,0,0,0|2,0,0]=3 441 B11R1.159 c1cc(c(c(c1)Cl)F)C(=O)N B24162 [0,1,0,0,0,0|2,0,0]=3 442 B11R1.159 c1cc(c(c(c1)Cl)F)C(=O)O B20603 [0,1,0,0,0,0|1,0,0]=2 443 B11R1.159 c1cc(c(c(c1)Cl)F)[N+](=O)[O-] H61989 [0,1,0,0,0,0|2,0,1]=4 444 B11R1.159 c1cc(c(c(c1)Cl)N)C(=O)O H66261 [0,1,0,0,0,0|1,0,0]=2 445 B11R1.159 c1cc(c(c(c1)Cl)O)[N+](=O)[O-] A17172 [0,1,0,0,0,0|1,0,1]=3 446 B11R1.159 c1cc(c(c(c1)F)Br)C(=O)O H26242 [0,1,0,0,0,0|1,0,0]=2 447 B11R1.159 c1cc(c(c(c1)F)Cl)C(=O)O H31761 [0,1,0,0,0,0|1,0,0]=2 448 B11R1.159 c1cc(c(c(c1)F)F)C(=O)Cl B20333 [0,1,0,0,0,0|2,0,0]=3 449 B11R1.159 c1cc(c(c(c1)F)F)C(=O)N B20542 [0,1,0,0,0,0|2,0,0]=3 450 B11R1.159 c1cc(c(c(c1)F)F)C(=O)O A16717 [0,1,0,0,0,0|1,0,0]=2 451 B11R1.159 c1cc(c(c(c1)F)O)C(=O)O H26163 [0,1,0,0,0,0|0,0,0]=1 452 B11R1.159 c1cc(c(c(c1)F)O)[N+](=O)[O-] L08851 [0,1,0,0,0,0|1,0,1]=3 453 B11R1.159 c1cc(c(c(c1)N)O)C(=O)O B22478 [0,1,0,0,0,0|0,0,0]=1 454 B11R1.159 c1cc(c(c(c1)O)N)[N+](=O)[O-] H27472 [0,1,0,0,0,0|2,0,1]=4 455 B11R1.159 c1cc(c(c(c1)O)O)C(=O)O A10144 [0,1,0,0,0,0|0,0,0]=1 456 B11R1.159 c1cc(c(c(c1)[N+](=O)[O-])N)N B20201 [0,1,0,0,0,0|2,0,1]=4 457 B11R1.159 c1cnc(c(c1C(=O)O)Br)Br H31708 [0,1,0,0,0,0|2,0,0]=3 458 B11R1.159 c1cnc(c(c1C(=O)O)Cl)Cl H63733 [0,1,0,0,0,0|2,0,0]=3 459 B11R1.159 c1cnc(c(c1C(=O)O)F)Br H64290 [0,1,0,0,0,0|2,0,0]=3 460 B11R1.159 c1cnc(c(c1C(=O)O)F)Cl L20024 [0,1,0,0,0,0|2,0,0]=3 461 B11R1.159 c1cnc(c(c1C(=O)O)F)F H33463 [0,1,0,0,0,0|2,0,0]=3 462 B11R1.166 B(c1ccc(cc1C)C)(O)O B23076 [0,1,0,0,0,0|2,0,1]=4 463 B11R1.166 B(c1ccc(cc1C)Cl)(O)O B23688 [0,1,0,0,0,0|2,0,1]=4 464 B11R1.166 B(c1ccc(cc1C)F)(O)O B24117 [0,1,0,0,0,0|2,0,1]=4 465 B11R1.166 B(c1ccc(cc1C)O)(O)O H53068 [0,1,0,0,0,0|2,0,1]=4 466 B11R1.166 B(c1ccc(cc1Cl)C)(O)O H28604 [0,1,0,0,0,0|2,0,1]=4 467 B11R1.166 B(c1ccc(cc1Cl)Cl)(O)O L01563 [0,1,0,0,0,0|2,0,1]=4 468 B11R1.166 B(c1ccc(cc1Cl)F)(O)O H27591 [0,1,0,0,0,0|2,0,1]=4 469 B11R1.166 B(c1ccc(cc1F)Br)(O)O L17468 [0,1,0,0,0,0|2,0,1]=4 470 B11R1.166 B(c1ccc(cc1F)C)(O)O H53265 [0,1,0,0,0,0|2,0,1]=4 471 B11R1.166 B(c1ccc(cc1F)Cl)(O)O H28872 [0,1,0,0,0,0|2,0,1]=4 472 B11R1.166 B(c1ccc(cc1F)F)(O)O B23821 [0,1,0,0,0,0|2,0,1]=4 473 B11R1.166 B(c1ccc(cc1F)I)(O)O H64383 [0,1,0,0,0,0|2,0,1]=4 474 B11R1.166 B(c1ccc(cc1O)F)(O)O H53304 [0,1,0,0,0,0|1,0,1]=3 475 B11R1.166 CC(=O)c1ccc(cc1Br)Br H61181 [0,1,0,0,0,0|2,0,0]=3 476 B11R1.166 CC(=O)c1ccc(cc1Br)F L19320 [0,1,0,0,0,0|2,0,0]=3 477 B11R1.166 CC(=O)c1ccc(cc1Cl)Cl A14428 [0,1,0,0,0,0|2,0,0]=3 478 B11R1.166 CC(=O)c1ccc(cc1Cl)F L19880 [0,1,0,0,0,0|2,0,0]=3 479 B11R1.166 CC(=O)c1ccc(cc1F)Br H62127 [0,1,0,0,0,0|2,0,0]=3 480 B11R1.166 CC(=O)c1ccc(cc1F)F A13420 [0,1,0,0,0,0|2,0,0]=3 481 B11R1.166 CC(=O)c1ccc(cc1F)O A19884 [0,1,0,0,0,0|2,0,0]=3 482 B11R1.166 CC(=O)c1ccc(cc1O)Br H61137 [0,1,0,0,0,0|1,0,0]=2 483 B11R1.166 CC(=O)c1ccc(cc1O)Cl H27309 [0,1,0,0,0,0|1,0,0]=2 484 B11R1.166 CC(=O)c1ccc(cc1O)F A16030 [0,1,0,0,0,0|1,0,0]=2 485 B11R1.166 CC(=O)c1ccc(cc1O)O A12066 [0,1,0,0,0,0|1,0,0]=2 486 B11R1.166 CC(c1ccc(cc1Cl)F)O H31958 [0,1,0,0,0,0|2,0,1]=4 487 B11R1.166 Cc1cc(c(cn1)C(=O)O)O H66499 [0,1,0,0,0,0|1,0,0]=2 488 B11R1.166 Cc1cc(ccc1C(=O)C)F H26823 [0,1,0,0,0,0|2,0,0]=3 489 B11R1.166 Cc1cc(ccc1C(=O)O)Br L03071 [0,1,0,0,0,0|1,0,0]=2 490 B11R1.166 Cc1cc(ccc1C(=O)O)Cl H27262 [0,1,0,0,0,0|1,0,0]=2 491 B11R1.166 Cc1cc(ccc1C(=O)O)F H26801 [0,1,0,0,0,0|1,0,0]=2 492 B11R1.166 Cc1cc(ccc1C(=O)O)N H31657 [0,1,0,0,0,0|1,0,0]=2 493 B11R1.166 Cc1cc(ccc1C(=O)O)O H60810 [0,1,0,0,0,0|1,0,0]=2 494 B11R1.166 Cc1cc(ccc1C(=S)N)Br H55421 [0,1,0,0,0,0|2,1,0]=4 495 B11R1.166 Cc1cc(ccc1C(=S)N)F H33221 [0,1,0,0,0,0|2,1,0]=4 496 B11R1.166 Cc1cc(ccc1[N+](=O)[O-])Cl H53471 [0,1,0,0,0,0|2,0,1]=4 497 B11R1.166 Cc1cc(ccc1[N+](=O)[O-])F A13944 [0,1,0,0,0,0|2,0,1]=4 498 B11R1.166 Cc1cc(ccc1[N+](=O)[O-])N L13112 [0,1,0,0,0,0|2,0,1]=4 499 B11R1.166 Cc1cc(ccc1[N+](=O)[O-])O L03163 [0,1,0,0,0,0|2,0,1]=4 500 B11R1.166 Cc1cc(cnc1C(=O)O)Br H64220 [0,1,0,0,0,0|2,0,0]=3 501 B11R1.166 Cc1ccc(c(c1)Br)C(=O)O H60413 [0,1,0,0,0,0|1,0,0]=2 502 B11R1.166 Cc1ccc(c(c1)C)C(=O)C A12992 [0,1,0,0,0,0|2,0,0]=3 503 B11R1.166 Cc1ccc(c(c1)C)C(=O)Cl H50387 [0,1,0,0,0,0|2,0,0]=3 504 B11R1.166 Cc1ccc(c(c1)C)C(=O)O A10589 [0,1,0,0,0,0|1,0,0]=2 505 B11R1.166 Cc1ccc(c(c1)C)C(C)O H32141 [0,1,0,0,0,0|2,0,1]=4 506 B11R1.166 Cc1ccc(c(c1)C)[N+](=O)[O-] A16776 [0,1,0,0,0,0|2,0,1]=4 507 B11R1.166 Cc1ccc(c(c1)F)C(=O)C H26695 [0,1,0,0,0,0|2,0,0]=3 508 B11R1.166 Cc1ccc(c(c1)F)C(=O)Cl H31292 [0,1,0,0,0,0|2,0,0]=3 509 B11R1.166 Cc1ccc(c(c1)F)C(=O)O H26688 [0,1,0,0,0,0|1,0,0]=2 510 B11R1.166 Cc1ccc(c(c1)F)[N+](=O)[O-] A10840 [0,1,0,0,0,0|2,0,1]=4 511 B11R1.166 Cc1ccc(c(c1)N)[N+](=O)[O-] L07852 [0,1,0,0,0,0|2,0,1]=4 512 B11R1.166 Cc1ccc(c(c1)O)C(=O)O L03367 [0,1,0,0,0,0|0,0,0]=1 513 B11R1.166 Cc1ccc(c(c1)O)C(C)C A14563 [0,1,0,0,0,0|2,0,1]=4 514 B11R1.166 Cc1ccc(c(c1)O)[N+](=O)[O-] A11729 [0,1,0,0,0,0|1,0,1]=3 515 B11R1.166 Cc1ccc(c(n1)Cl)C(=O)Cl H25878 [0,1,0,0,0,0|3,0,0]=4 516 B11R1.166 Cc1ccc(c(n1)Cl)C(=O)O A13857 [0,1,0,0,0,0|2,0,0]=3 517 B11R1.166 Cc1ccc(c(n1)O)C(=O)O A11842 [0,1,0,0,0,0|1,0,0]=2 518 B11R1.166 Cc1ccc(c(n1)O)C(=S)N H52239 [0,1,0,0,0,0|2,1,0]=4 519 B11R1.166 c1c(c(cnc1Cl)C(=O)O)Cl H61381 [0,1,0,0,0,0|2,0,0]=3 520 B11R1.166 c1c(cnc(c1Cl)C(=O)N)Cl H66981 [0,1,0,0,0,0|3,0,0]=4 521 B11R1.166 c1c(cnc(c1F)C(=O)N)F L20323 [0,1,0,0,0,0|3,0,0]=4 522 B11R1.166 c1c(cnc(c1F)C(=O)O)Br H64466 [0,1,0,0,0,0|2,0,0]=3 523 B11R1.166 c1c(cnc(c1F)C(=O)O)F L20324 [0,1,0,0,0,0|2,0,0]=3 524 B11R1.166 c1cc(c(cc1Br)Br)C(=O)O H32008 [0,1,0,0,0,0|1,0,0]=2 525 B11R1.166 c1cc(c(cc1Br)Br)[N+](=O)[O-] H61738 [0,1,0,0,0,0|2,0,1]=4 526 B11R1.166 c1cc(c(cc1Br)Cl)C(=O)O A11527 [0,1,0,0,0,0|1,0,0]=2 527 B11R1.166 c1cc(c(cc1Br)F)C(=O)Cl L20142 [0,1,0,0,0,0|2,0,0]=3 528 B11R1.166 c1cc(c(cc1Br)F)C(=O)N H52336 [0,1,0,0,0,0|2,0,0]=3 529 B11R1.166 c1cc(c(cc1Br)F)C(=O)O B20118 [0,1,0,0,0,0|1,0,0]=2 530 B11R1.166 c1cc(c(cc1Br)F)[N+](=O)[O-] H61807 [0,1,0,0,0,0|2,0,1]=4 531 B11R1.166 c1cc(c(cc1Br)N)C(=O)O H55829 [0,1,0,0,0,0|1,0,0]=2 532 B11R1.166 c1cc(c(cc1Br)O)[N+](=O)[O-] H64966 [0,1,0,0,0,0|1,0,1]=3 533 B11R1.166 c1cc(c(cc1Cl)Br)C(=O)O H59777 [0,1,0,0,0,0|1,0,0]=2 534 B11R1.166 c1cc(c(cc1Cl)Cl)C(=O)Cl B20815 [0,1,0,0,0,0|2,0,0]=3 535 B11R1.166 c1cc(c(cc1Cl)Cl)C(=O)N A15915 [0,1,0,0,0,0|2,0,0]=3 536 B11R1.166 c1cc(c(cc1Cl)Cl)C(=O)O A12372 [0,1,0,0,0,0|1,0,0]=2 537 B11R1.166 c1cc(c(cc1Cl)Cl)C(=S)N H26654 [0,1,0,0,0,0|2,1,0]=4 538 B11R1.166 c1cc(c(cc1Cl)Cl)[N+](=O)[O-] B23749 [0,1,0,0,0,0|2,0,1]=4 539 B11R1.166 c1cc(c(cc1Cl)F)C(=O)O B25277 [0,1,0,0,0,0|1,0,0]=2 540 B11R1.166 c1cc(c(cc1Cl)N)C(=O)O A10201 [0,1,0,0,0,0|1,0,0]=2 541 B11R1.166 c1cc(c(cc1Cl)N)C(=S)N H52249 [0,1,0,0,0,0|2,1,0]=4 542 B11R1.166 c1cc(c(cc1Cl)N)[N+](=O)[O-] A11241 [0,1,0,0,0,0|2,0,1]=4 543 B11R1.166 c1cc(c(cc1Cl)O)C(=O)O B22520 [0,1,0,0,0,0|0,0,0]=1 544 B11R1.166 c1cc(c(cc1F)Br)C(=O)N H62497 [0,1,0,0,0,0|2,0,0]=3 545 B11R1.166 c1cc(c(cc1F)Br)C(=O)O L19321 [0,1,0,0,0,0|1,0,0]=2 546 B11R1.166 c1cc(c(cc1F)Br)[N+](=O)[O-] H61466 [0,1,0,0,0,0|2,0,1]=4 547 B11R1.166 c1cc(c(cc1F)Cl)C(=O)Cl B23439 [0,1,0,0,0,0|2,0,0]=3 548 B11R1.166 c1cc(c(cc1F)Cl)C(=O)O A14953 [0,1,0,0,0,0|1,0,0]=2 549 B11R1.166 c1cc(c(cc1F)Cl)C(=S)N H32001 [0,1,0,0,0,0|2,1,0]=4 550 B11R1.166 c1cc(c(cc1F)Cl)[N+](=O)[O-] H32906 [0,1,0,0,0,0|2,0,1]=4 551 B11R1.166 c1cc(c(cc1F)F)C(=O)Cl A17920 [0,1,0,0,0,0|2,0,0]=3 552 B11R1.166 c1cc(c(cc1F)F)C(=O)N A10375 [0,1,0,0,0,0|2,0,0]=3 553 B11R1.166 c1cc(c(cc1F)F)C(=O)O A13403 [0,1,0,0,0,0|1,0,0]=2 554 B11R1.166 c1cc(c(cc1F)F)C(=S)N H26758 [0,1,0,0,0,0|2,1,0]=4 555 B11R1.166 c1cc(c(cc1F)F)[N+](=O)[O-] A13249 [0,1,0,0,0,0|2,0,1]=4 556 B11R1.166 c1cc(c(cc1F)I)C(=O)O H55531 [0,1,0,0,0,0|1,0,0]=2 557 B11R1.166 c1cc(c(cc1F)N)C(=O)O B21907 [0,1,0,0,0,0|1,0,0]=2 558 B11R1.166 c1cc(c(cc1F)N)[N+](=O)[O-] H61806 [0,1,0,0,0,0|2,0,1]=4 559 B11R1.166 c1cc(c(cc1F)O)C(=O)O B24992 [0,1,0,0,0,0|0,0,0]=1 560 B11R1.166 c1cc(c(cc1F)O)[N+](=O)[O-] A12568 [0,1,0,0,0,0|1,0,1]=3 561 B11R1.166 c1cc(c(cc1N)Cl)C(=O)O A10116 [0,1,0,0,0,0|1,0,0]=2 562 B11R1.166 c1cc(c(cc1N)Cl)C(=S)N H52142 [0,1,0,0,0,0|2,1,0]=4 563 B11R1.166 c1cc(c(cc1N)Cl)[N+](=O)[O-] H32581 [0,1,0,0,0,0|2,0,1]=4 564 B11R1.166 c1cc(c(cc1N)F)C(=O)O H26146 [0,1,0,0,0,0|1,0,0]=2 565 B11R1.166 c1cc(c(cc1N)F)[N+](=O)[O-] H28895 [0,1,0,0,0,0|2,0,1]=4 566 B11R1.166 c1cc(c(cc1N)N)[N+](=O)[O-] L12166 [0,1,0,0,0,0|2,0,1]=4 567 B11R1.166 c1cc(c(cc1N)O)C(=O)O B23289 [0,1,0,0,0,0|0,0,0]=1 568 B11R1.166 c1cc(c(cc1O)F)[N+](=O)[O-] A14350 [0,1,0,0,0,0|2,0,1]=4 569 B11R1.166 c1cc(c(cc1O)O)C(=O)O A13545 [0,1,0,0,0,0|0,0,0]=1 570 B11R1.166 c1cc(nc(c1C(=O)O)Cl)Cl L20002 [0,1,0,0,0,0|2,0,0]=3 571 B11R1.166 c1cc(nc(c1C(=O)O)F)Cl H66484 [0,1,0,0,0,0|2,0,0]=3 572 B11R1.167 B(c1cc(ccc1C)C)(O)O B23740 [0,1,0,0,0,0|2,0,1]=4 573 B11R1.167 B(c1cc(ccc1C)Cl)(O)O H52994 [0,1,0,0,0,0|2,0,1]=4 574 B11R1.167 B(c1cc(ccc1C)F)(O)O L19819 [0,1,0,0,0,0|2,0,1]=4 575 B11R1.167 B(c1cc(ccc1Cl)C)(O)O H53166 [0,1,0,0,0,0|2,0,1]=4 576 B11R1.167 B(c1cc(ccc1Cl)Cl)(O)O B22984 [0,1,0,0,0,0|2,0,1]=4 577 B11R1.167 B(c1cc(ccc1Cl)F)(O)O H52906 [0,1,0,0,0,0|2,0,1]=4 578 B11R1.167 B(c1cc(ccc1Cl)O)(O)O H53330 [0,1,0,0,0,0|2,0,1]=4 579 B11R1.167 B(c1cc(ccc1F)Br)(O)O H52962 [0,1,0,0,0,0|2,0,1]=4 580 B11R1.167 B(c1cc(ccc1F)C)(O)O H52714 [0,1,0,0,0,0|2,0,1]=4 581 B11R1.167 B(c1cc(ccc1F)Cl)(O)O H53108 [0,1,0,0,0,0|2,0,1]=4 582 B11R1.167 B(c1cc(ccc1F)F)(O)O B24113 [0,1,0,0,0,0|2,0,1]=4 583 B11R1.167 B(c1cc(ccc1O)Br)(O)O H52937 [0,1,0,0,0,0|1,0,1]=3 584 B11R1.167 B(c1cc(ccc1O)Cl)(O)O H53075 [0,1,0,0,0,0|1,0,1]=3 585 B11R1.167 B(c1cc(ccc1O)F)(O)O H52716 [0,1,0,0,0,0|1,0,1]=3 586 B11R1.167 CC(=O)c1cc(ccc1Br)F H61261 [0,1,0,0,0,0|2,0,0]=3 587 B11R1.167 CC(=O)c1cc(ccc1Cl)Cl A13770 [0,1,0,0,0,0|2,0,0]=3 588 B11R1.167 CC(=O)c1cc(ccc1F)Br H61282 [0,1,0,0,0,0|2,0,0]=3 589 B11R1.167 CC(=O)c1cc(ccc1F)F A13911 [0,1,0,0,0,0|2,0,0]=3 590 B11R1.167 CC(=O)c1cc(ccc1I)F H66475 [0,1,0,0,0,0|2,0,0]=3 591 B11R1.167 CC(=O)c1cc(ccc1O)Br H61979 [0,1,0,0,0,0|1,0,0]=2 592 B11R1.167 CC(=O)c1cc(ccc1O)Cl A15448 [0,1,0,0,0,0|1,0,0]=2 593 B11R1.167 CC(=O)c1cc(ccc1O)F A15614 [0,1,0,0,0,0|1,0,0]=2 594 B11R1.167 CC(=O)c1cc(ccc1O)O A12185 [0,1,0,0,0,0|1,0,0]=2 595 B11R1.167 CC(c1cc(ccc1F)Cl)O H31600 [0,1,0,0,0,0|2,0,1]=4 596 B11R1.167 Cc1ccc(c(c1)C(=O)C)C A11432 [0,1,0,0,0,0|2,0,0]=3 597 B11R1.167 Cc1ccc(c(c1)C(=O)C)F H26575 [0,1,0,0,0,0|2,0,0]=3 598 B11R1.167 Cc1ccc(c(c1)C(=O)C)O A13136 [0,1,0,0,0,0|1,0,0]=2 599 B11R1.167 Cc1ccc(c(c1)C(=O)Cl)F H26093 [0,1,0,0,0,0|2,0,0]=3 600 B11R1.167 Cc1ccc(c(c1)C(=O)O)Br H32927 [0,1,0,0,0,0|1,0,0]=2 601 B11R1.167 Cc1ccc(c(c1)C(=O)O)C A15352 [0,1,0,0,0,0|1,0,0]=2 602 B11R1.167 Cc1ccc(c(c1)C(=O)O)Cl B25347 [0,1,0,0,0,0|1,0,0]=2 603 B11R1.167 Cc1ccc(c(c1)C(=O)O)F H26094 [0,1,0,0,0,0|1,0,0]=2 604 B11R1.167 Cc1ccc(c(c1)C(=O)O)N L01513 [0,1,0,0,0,0|1,0,0]=2 605 B11R1.167 Cc1ccc(c(c1)C(=O)O)O B20040 [0,1,0,0,0,0|0,0,0]=1 606 B11R1.167 Cc1ccc(c(c1)C(C)O)C H32827 [0,1,0,0,0,0|2,0,1]=4 607 B11R1.167 Cc1ccc(c(c1)[N+](=O)[O-])Br A10718 [0,1,0,0,0,0|2,0,1]=4 608 B11R1.167 Cc1ccc(c(c1)[N+](=O)[O-])Cl A11383 [0,1,0,0,0,0|2,0,1]=4 609 B11R1.167 Cc1ccc(c(c1)[N+](=O)[O-])F H63317 [0,1,0,0,0,0|2,0,1]=4 610 B11R1.167 Cc1ccc(c(c1)[N+](=O)[O-])N A13666 [0,1,0,0,0,0|2,0,1]=4 611 B11R1.167 Cc1ccc(c(c1)[N+](=O)[O-])O A12009 [0,1,0,0,0,0|1,0,1]=3 612 B11R1.167 Cc1ccc(c(n1)[N+](=O)[O-])O L07074 [0,1,0,0,0,0|2,0,1]=4 613 B11R1.167 Cc1ccc(cc1C(=O)C)F H26819 [0,1,0,0,0,0|2,0,0]=3 614 B11R1.167 Cc1ccc(cc1C(=O)Cl)F L13750 [0,1,0,0,0,0|2,0,0]=3 615 B11R1.167 Cc1ccc(cc1C(=O)O)Br H60516 [0,1,0,0,0,0|1,0,0]=2 616 B11R1.167 Cc1ccc(cc1C(=O)O)Cl H60649 [0,1,0,0,0,0|1,0,0]=2 617 B11R1.167 Cc1ccc(cc1C(=O)O)F A10476 [0,1,0,0,0,0|1,0,0]=2 618 B11R1.167 Cc1ccc(cc1C(=O)O)N H60078 [0,1,0,0,0,0|1,0,0]=2 619 B11R1.167 Cc1ccc(cc1C(=O)O)O H60774 [0,1,0,0,0,0|1,0,0]=2 620 B11R1.167 Cc1ccc(cc1C(=S)N)F H33362 [0,1,0,0,0,0|2,1,0]=4 621 B11R1.167 Cc1ccc(cc1[N+](=O)[O-])Br A12951 [0,1,0,0,0,0|2,0,1]=4 622 B11R1.167 Cc1ccc(cc1[N+](=O)[O-])Cl B23382 [0,1,0,0,0,0|2,0,1]=4 623 B11R1.167 Cc1ccc(cc1[N+](=O)[O-])F B24677 [0,1,0,0,0,0|2,0,1]=4 624 B11R1.167 Cc1ccc(cc1[N+](=O)[O-])I A18607 [0,1,0,0,0,0|2,0,1]=4 625 B11R1.167 Cc1ccc(cc1[N+](=O)[O-])N A12538 [0,1,0,0,0,0|2,0,1]=4 626 B11R1.167 Cc1ccc(cc1[N+](=O)[O-])O 44285 [0,1,0,0,0,0|2,0,1]=4 627 B11R1.167 c1c(c(cnc1Cl)Cl)C(=O)O H58277 [0,1,0,0,0,0|2,0,0]=3 628 B11R1.167 c1c(c(nnc1Cl)Cl)C(=O)O L10418 [0,1,0,0,0,0|3,0,0]=4 629 B11R1.167 c1c(cnc(c1C(=O)O)Cl)Br H61154 [0,1,0,0,0,0|2,0,0]=3 630 B11R1.167 c1c(cnc(c1C(=O)O)Cl)Cl H64998 [0,1,0,0,0,0|2,0,0]=3 631 B11R1.167 c1c(cnc(c1C(=O)O)O)Cl B20706 [0,1,0,0,0,0|1,0,0]=2 632 B11R1.167 c1c(cnc(c1[N+](=O)[O-])O)Br L19850 [0,1,0,0,0,0|2,0,1]=4 633 B11R1.167 c1c(cnc(c1[N+](=O)[O-])O)Cl L19860 [0,1,0,0,0,0|2,0,1]=4 634 B11R1.167 c1c(cnc(c1[N+](=O)[O-])O)F H64441 [0,1,0,0,0,0|2,0,1]=4 635 B11R1.167 c1c(nc(c(n1)N)C(=O)O)Br H66908 [0,1,0,0,0,0|3,0,0]=4 636 B11R1.167 c1c[n+](cc(c1O)[N+](=O)[O-])[O-] L20045 [0,1,0,0,0,0|2,0,1]=4 637 B11R1.167 c1cc(c(cc1Br)C(=O)N)F H62457 [0,1,0,0,0,0|2,0,0]=3 638 B11R1.167 c1cc(c(cc1Br)C(=O)O)Br A15077 [0,1,0,0,0,0|1,0,0]=2 639 B11R1.167 c1cc(c(cc1Br)C(=O)O)Cl A12218 [0,1,0,0,0,0|1,0,0]=2 640 B11R1.167 c1cc(c(cc1Br)C(=O)O)F H60595 [0,1,0,0,0,0|1,0,0]=2 641 B11R1.167 c1cc(c(cc1Br)C(=O)O)I H64643 [0,1,0,0,0,0|1,0,0]=2 642 B11R1.167 c1cc(c(cc1Br)C(=O)O)N A11915 [0,1,0,0,0,0|1,0,0]=2 643 B11R1.167 c1cc(c(cc1Br)C(=O)O)O B20338 [0,1,0,0,0,0|0,0,0]=1 644 B11R1.167 c1cc(c(cc1Br)[N+](=O)[O-])Br A10472 [0,1,0,0,0,0|2,0,1]=4 645 B11R1.167 c1cc(c(cc1Br)[N+](=O)[O-])F B22523 [0,1,0,0,0,0|2,0,1]=4 646 B11R1.167 c1cc(c(cc1Br)[N+](=O)[O-])N B25468 [0,1,0,0,0,0|2,0,1]=4 647 B11R1.167 c1cc(c(cc1Br)[N+](=O)[O-])O H26529 [0,1,0,0,0,0|1,0,1]=3 648 B11R1.167 c1cc(c(cc1Cl)C(=O)Cl)F B23273 [0,1,0,0,0,0|2,0,0]=3 649 B11R1.167 c1cc(c(cc1Cl)C(=O)N)Cl B25097 [0,1,0,0,0,0|2,0,0]=3 650 B11R1.167 c1cc(c(cc1Cl)C(=O)N)F B24623 [0,1,0,0,0,0|2,0,0]=3 651 B11R1.167 c1cc(c(cc1Cl)C(=O)N)N A11153 [0,1,0,0,0,0|2,0,0]=3 652 B11R1.167 c1cc(c(cc1Cl)C(=O)N)O L17897 [0,1,0,0,0,0|1,0,0]=2 653 B11R1.167 c1cc(c(cc1Cl)C(=O)O)Br A10103 [0,1,0,0,0,0|1,0,0]=2 654 B11R1.167 c1cc(c(cc1Cl)C(=O)O)Cl A16108 [0,1,0,0,0,0|1,0,0]=2 655 B11R1.167 c1cc(c(cc1Cl)C(=O)O)F B23776 [0,1,0,0,0,0|1,0,0]=2 656 B11R1.167 c1cc(c(cc1Cl)C(=O)O)N A14329 [0,1,0,0,0,0|1,0,0]=2 657 B11R1.167 c1cc(c(cc1Cl)C(=O)O)O B23984 [0,1,0,0,0,0|0,0,0]=1 658 B11R1.167 c1cc(c(cc1Cl)C(=S)N)Cl H32323 [0,1,0,0,0,0|2,1,0]=4 659 B11R1.167 c1cc(c(cc1Cl)[N+](=O)[O-])Br A12635 [0,1,0,0,0,0|2,0,1]=4 660 B11R1.167 c1cc(c(cc1Cl)[N+](=O)[O-])Cl A11896 [0,1,0,0,0,0|2,0,1]=4 661 B11R1.167 c1cc(c(cc1Cl)[N+](=O)[O-])N A18143 [0,1,0,0,0,0|2,0,1]=4 662 B11R1.167 c1cc(c(cc1Cl)[N+](=O)[O-])O A18150 [0,1,0,0,0,0|1,0,1]=3 663 B11R1.167 c1cc(c(cc1F)C(=O)Cl)Cl B24369 [0,1,0,0,0,0|2,0,0]=3 664 B11R1.167 c1cc(c(cc1F)C(=O)Cl)F A10651 [0,1,0,0,0,0|2,0,0]=3 665 B11R1.167 c1cc(c(cc1F)C(=O)N)Br H62366 [0,1,0,0,0,0|2,0,0]=3 666 B11R1.167 c1cc(c(cc1F)C(=O)N)Cl B23093 [0,1,0,0,0,0|2,0,0]=3 667 B11R1.167 c1cc(c(cc1F)C(=O)N)F B20971 [0,1,0,0,0,0|2,0,0]=3 668 B11R1.167 c1cc(c(cc1F)C(=O)N)N H66873 [0,1,0,0,0,0|2,0,0]=3 669 B11R1.167 c1cc(c(cc1F)C(=O)O)Br B25394 [0,1,0,0,0,0|1,0,0]=2 670 B11R1.167 c1cc(c(cc1F)C(=O)O)Cl H26462 [0,1,0,0,0,0|1,0,0]=2 671 B11R1.167 c1cc(c(cc1F)C(=O)O)F A10503 [0,1,0,0,0,0|1,0,0]=2 672 B11R1.167 c1cc(c(cc1F)C(=O)O)I H60937 [0,1,0,0,0,0|1,0,0]=2 673 B11R1.167 c1cc(c(cc1F)C(=O)O)N B21458 [0,1,0,0,0,0|1,0,0]=2 674 B11R1.167 c1cc(c(cc1F)C(=O)O)O B21751 [0,1,0,0,0,0|0,0,0]=1 675 B11R1.167 c1cc(c(cc1F)C(=S)N)F H32225 [0,1,0,0,0,0|2,1,0]=4 676 B11R1.167 c1cc(c(cc1F)[N+](=O)[O-])Br L15503 [0,1,0,0,0,0|2,0,1]=4 677 B11R1.167 c1cc(c(cc1F)[N+](=O)[O-])Cl A11400 [0,1,0,0,0,0|2,0,1]=4 678 B11R1.167 c1cc(c(cc1F)[N+](=O)[O-])F A11807 [0,1,0,0,0,0|2,0,1]=4 679 B11R1.167 c1cc(c(cc1F)[N+](=O)[O-])I A18962 [0,1,0,0,0,0|2,0,1]=4 680 B11R1.167 c1cc(c(cc1F)[N+](=O)[O-])N A10685 [0,1,0,0,0,0|2,0,1]=4 681 B11R1.167 c1cc(c(cc1F)[N+](=O)[O-])O A15847 [0,1,0,0,0,0|1,0,1]=3 682 B11R1.167 c1cc(c(cc1I)C(=O)Cl)F H26177 [0,1,0,0,0,0|2,0,0]=3 683 B11R1.167 c1cc(c(cc1I)C(=O)O)Br L19247 [0,1,0,0,0,0|1,0,0]=2 684 B11R1.167 c1cc(c(cc1I)C(=O)O)Cl L20161 [0,1,0,0,0,0|1,0,0]=2 685 B11R1.167 c1cc(c(cc1I)C(=O)O)F H26175 [0,1,0,0,0,0|1,0,0]=2 686 B11R1.167 c1cc(c(cc1I)C(=O)O)N A19838 [0,1,0,0,0,0|1,0,0]=2 687 B11R1.167 c1cc(c(cc1I)C(=O)O)O B21291 [0,1,0,0,0,0|0,0,0]=1 688 B11R1.167 c1cc(c(cc1N)C(=O)O)Br H60382 [0,1,0,0,0,0|1,0,0]=2 689 B11R1.167 c1cc(c(cc1N)C(=O)O)Cl L14501 [0,1,0,0,0,0|1,0,0]=2 690 B11R1.167 c1cc(c(cc1N)C(=O)O)F H26162 [0,1,0,0,0,0|1,0,0]=2 691 B11R1.167 c1cc(c(cc1N)C(=O)O)O B23970 [0,1,0,0,0,0|0,0,0]=1 692 B11R1.167 c1cc(c(cc1N)[N+](=O)[O-])F A15371 [0,1,0,0,0,0|2,0,1]=4 693 B11R1.167 c1cc(c(cc1N)[N+](=O)[O-])N B23477 [0,1,0,0,0,0|2,0,1]=4 694 B11R1.167 c1cc(c(cc1N)[N+](=O)[O-])O H27694 [0,1,0,0,0,0|1,0,1]=3 695 B11R1.167 c1cc(c(cc1O)C(=O)O)Cl H26112 [0,1,0,0,0,0|1,0,0]=2 696 B11R1.167 c1cc(c(cc1O)C(=O)O)F H26150 [0,1,0,0,0,0|1,0,0]=2 697 B11R1.167 c1cc(c(cc1O)C(=O)O)N L08256 [0,1,0,0,0,0|1,0,0]=2 698 B11R1.167 c1cc(c(cc1O)C(=O)O)O A11459 [0,1,0,0,0,0|0,0,0]=1 699 B11R1.167 c1cc(c(cc1O)[N+](=O)[O-])Cl L10108 [0,1,0,0,0,0|2,0,1]=4 700 B11R1.167 c1cc(c(cc1O)[N+](=O)[O-])N L09487 [0,1,0,0,0,0|2,0,1]=4 701 B11R1.167 c1cc(nc(c1Cl)C(=O)O)Cl H27146 [0,1,0,0,0,0|2,0,0]=3 702 B11R1.222 CCC(=O)c1ccccc1F L12423 [0,1,0,0,0,0|2,0,0]=3 703 B11R1.222 CCC(=O)c1ccccc1O B25442 [0,1,0,0,0,0|1,0,0]=2 704 B11R1.222 CCC(C)c1ccccc1O A18461 [0,1,0,0,0,0|2,0,1]=4 705 B11R1.222 CCC(c1ccccc1F)O H31929 [0,1,0,0,0,0|2,0,1]=4 706 B11R1.222 CNC(=O)c1ccccc1Br H50583 [0,1,0,0,0,0|2,0,0]=3 707 B11R1.222 CNC(=O)c1ccccc1Cl H56910 [0,1,0,0,0,0|2,0,0]=3 708 B11R1.222 CNC(=O)c1ccccc1F H56104 [0,1,0,0,0,0|2,0,0]=3 709 B11R1.222 CNC(=O)c1cccnc1Cl H57963 [0,1,0,0,0,0|3,0,0]=4 710 B11R1.222 COC(=O)c1c(nccn1)Br H63515 [0,1,0,0,0,0|3,0,0]=4 711 B11R1.222 COC(=O)c1c(nccn1)Cl H64508 [0,1,0,0,0,0|3,0,0]=4 712 B11R1.222 COC(=O)c1c(nccn1)N H29172 [0,1,0,0,0,0|3,0,0]=4 713 B11R1.222 COC(=O)c1ccccc1Br A12435 [0,1,0,0,0,0|1,0,0]=2 714 B11R1.222 COC(=O)c1ccccc1Cl A11237 [0,1,0,0,0,0|1,0,0]=2 715 B11R1.222 COC(=O)c1ccccc1F A16133 [0,1,0,0,0,0|1,0,0]=2 716 B11R1.222 COC(=O)c1ccccc1I A13204 [0,1,0,0,0,0|1,0,0]=2 717 B11R1.222 COC(=O)c1ccccc1N A15681 [0,1,0,0,0,0|1,0,0]=2 718 B11R1.222 COC(=O)c1ccccc1O A10578 [0,1,0,0,0,0|0,0,0]=1 719 B11R1.222 COC(=O)c1ccccc1S H28400 [0,1,0,0,0,0|0,1,0]=2 720 B11R1.222 COC(=O)c1cccnc1Cl H64798 [0,1,0,0,0,0|2,0,0]=3 721 B11R1.222 COC(=O)c1cccnc1N H50013 [0,1,0,0,0,0|2,0,0]=3 722 B11R1.222 COC(=O)c1cccnc1O H33334 [0,1,0,0,0,0|1,0,0]=2 723 B11R1.222 COC(=O)c1cccoc1=O H25932 [0,1,0,0,0,0|1,0,1]=3 724 B11R1.222 COC(=O)c1ccncc1N H34007 [0,1,0,0,0,0|2,0,0]=3 725 B11R1.222 COC(=O)c1cnccc1N B25324 [0,1,0,0,0,0|2,0,0]=3 726 B11R1.222 Cc1c(cccn1)C(=O)OC L09074 [0,1,0,0,0,0|2,0,0]=3 727 B11R1.222 Cc1ccccc1C(=O)CBr H64651 [0,1,0,0,0,0|2,0,0]=3 728 B11R1.222 Cc1ccccc1C(=O)NN L00668 [0,1,0,0,0,0|2,0,0]=3 729 B11R1.222 Cc1ccccc1C(=O)OC A15695 [0,1,0,0,0,0|1,0,0]=2 730 B11R1.222 Cc1ccccc1\C(=N\O)\N H51719 [0,1,0,0,0,0|2,0,0]=3 731 B11R1.222 Cc1cccnc1\C(=N\O)\N H51808 [0,1,0,0,0,0|3,0,0]=4 732 B11R1.222 c1cc(c(nc1)Cl)\C(=N\O)\N H65400 [0,1,0,0,0,0|3,0,0]=4 733 B11R1.222 c1ccc(c(c1)C(=O)CBr)Cl H27303 [0,1,0,0,0,0|2,0,0]=3 734 B11R1.222 c1ccc(c(c1)C(=O)CBr)F H34179 [0,1,0,0,0,0|2,0,0]=3 735 B11R1.222 c1ccc(c(c1)C(=O)CBr)O B25722 [0,1,0,0,0,0|1,0,0]=2 736 B11R1.222 c1ccc(c(c1)C(=O)NN)Br L00937 [0,1,0,0,0,0|2,0,0]=3 737 B11R1.222 c1ccc(c(c1)C(=O)NN)Cl A11361 [0,1,0,0,0,0|2,0,0]=3 738 B11R1.222 c1ccc(c(c1)C(=O)NN)F B24921 [0,1,0,0,0,0|2,0,0]=3 739 B11R1.222 c1ccc(c(c1)C(=O)NN)N A10805 [0,1,0,0,0,0|2,0,0]=3 740 B11R1.222 c1ccc(c(c1)C(=O)NN)O A14218 [0,1,0,0,0,0|1,0,0]=2 741 B11R1.222 c1ccc(c(c1)C(=O)NO)O A11528 [0,1,0,0,0,0|0,0,0]=1 742 B11R1.222 c1ccc(c(c1)C(CN)O)F H50770 [0,1,0,0,0,0|2,0,1]=4 743 B11R1.222 c1ccc(c(c1)[C@@H](CO)O)Cl H56431 [0,1,0,0,0,0|1,0,2]=4 744 B11R1.222 c1ccc(c(c1)\C(=N\O)\N)N H51782 [0,1,0,0,0,0|2,0,0]=3 745 B11R1.222 c1ccc(c(c1)\C(=N\O)\N)O H54898 [0,1,0,0,0,0|1,0,0]=2 746 B9R0.33 C=CCC(C(=O)O)C(=O)O A17443 [0,0,1,0,0,0|1,0,2]=4 747 B11R2.1 B1(c2ccccc2CO1)O L15192 [0,0,0,1,0,0|2,0,1]=4 748 B11R2.1 Cc1c[nH]c2c1cccc2 L03890 [0,0,0,1,0,0|3,0,0]=4 749 B11R2.1 Cc1csc2c1cccc2 A15772 [0,0,0,1,0,0|2,1,0]=4 750 B11R2.1 c1cc2c(c(co2)Br)nc1 H33652 [0,0,0,1,0,0|3,0,0]=4 751 B11R2.1 c1ccc2c(c1)C(=O)CO2 A10202 [0,0,0,1,0,0|1,0,0]=2 752 B11R2.1 c1ccc2c(c1)C(=O)N=N2 L05860 [0,0,0,1,0,0|2,0,0]=3 753 B11R2.1 c1ccc2c(c1)CCC2=O A11056 [0,0,0,1,0,0|2,0,0]=3 754 B11R2.1 c1ccc2c(c1)CCC2O B24536 [0,0,0,1,0,0|2,0,1]=4 755 B11R2.1 c1ccc2c(c1)COC2=O A15516 [0,0,0,1,0,0|1,0,0]=2 756 B11R2.1 c1ccc2c(c1)c(=O)[nH]o2 H50899 [0,0,0,1,0,0|1,0,0]=2 757 B11R2.1 c1ccc2c(c1)c(=O)[nH]s2 H60492 [0,0,0,1,0,0|1,1,0]=3 758 B11R2.1 c1ccc2c(c1)c(c[nH]2)I H66490 [0,0,0,1,0,0|3,0,0]=4 759 B11R2.1 c1ccc2c(c1)c(cs2)Br H32948 [0,0,0,1,0,0|2,1,0]=4 760 B11R2.1 c1ccc2c(c1)c(n[nH]2)Br H37775 [0,0,0,1,0,0|3,0,0]=4 761 B11R2.1 c1ccc2c(c1)c(n[nH]2)N H33435 [0,0,0,1,0,0|3,0,0]=4 762 B11R2.1 c1ccc2c(c1)c(ns2)Cl L17791 [0,0,0,1,0,0|2,1,0]=4 763 B11R2.1 c1ccc2c(c1)no[n+]2[O-] L10144 [0,0,0,1,0,0|2,0,1]=4 764 B11R2.1 c1ccn2c(c1)n[nH]c2=O L18705 [0,0,0,1,0,0|3,0,0]=4 765 B9R1.41 CC(=O)c1c(ccs1)Br L20113 [0,0,0,0,1,0|3,0,0]=4 766 B9R1.41 CC(=O)c1c(ccs1)Cl L20114 [0,0,0,0,1,0|3,0,0]=4 767 B9R1.41 CC(=O)c1c(ccs1)N L10563 [0,0,0,0,1,0|3,0,0]=4 768 B9R1.41 CC(=O)c1cccn1C A15353 [0,0,0,0,1,0|3,0,0]=4 769 B9R1.41 Cc1c(cco1)C(=O)Cl H27206 [0,0,0,0,1,0|3,0,0]=4 770 B9R1.41 Cc1c(cco1)C(=O)O B24928 [0,0,0,0,1,0|2,0,0]=3 771 B9R1.41 Cc1c(cno1)C(=O)O L14628 [0,0,0,0,1,0|3,0,0]=4 772 B9R1.41 Cc1c(con1)C(=O)O L16307 [0,0,0,0,1,0|3,0,0]=4 773 B9R1.41 Cc1c(scn1)C(=O)O H32662 [0,0,0,0,1,0|3,0,0]=4 774 B9R1.41 Cc1ccoc1C(=O)O L01763 [0,0,0,0,1,0|2,0,0]=3 775 B9R1.41 Cc1ccsc1C(=O)C L04086 [0,0,0,0,1,0|3,0,0]=4 776 B9R1.41 Cc1ccsc1C(=O)Cl L17989 [0,0,0,0,1,0|3,0,0]=4 777 B9R1.41 Cc1ccsc1C(=O)N L18092 [0,0,0,0,1,0|3,0,0]=4 778 B9R1.41 Cc1ccsc1C(=O)O A19194 [0,0,0,0,1,0|2,0,0]=3 779 B9R1.41 Cn1c(ccn1)C(=O)O H32874 [0,0,0,0,1,0|3,0,0]=4 780 B9R1.41 Cn1cccc1C(=O)Cl L18431 [0,0,0,0,1,0|3,0,0]=4 781 B9R1.41 Cn1cccc1C(=O)O L05906 [0,0,0,0,1,0|2,0,0]=3 782 B9R1.41 Cn1ccnc1C(=O)O H51859 [0,0,0,0,1,0|3,0,0]=4 783 B9R1.41 Cn1cncc1C(=O)O H51106 [0,0,0,0,1,0|3,0,0]=4 784 B9R1.41 c1c(c(n[nH]1)N)C(=O)O B23751 [0,0,0,0,1,0|3,0,0]=4 785 B9R1.41 c1csc(c1Br)C(=O)N L16138 [0,0,0,0,1,0|3,0,0]=4 786 B9R1.41 c1csc(c1Br)C(=O)O A11935 [0,0,0,0,1,0|2,0,0]=3 787 B9R1.41 c1csc(c1Cl)C(=O)O L13560 [0,0,0,0,1,0|2,0,0]=3 788 B9R1.41 c1csc(c1N)C(=O)N L12371 [0,0,0,0,1,0|3,0,0]=4 789 B11R1.86 CC(=O)Cc1ccccc1Cl L09846 [0,0,0,0,0,1|2,0,0]=3 790 B11R1.86 CC(=O)Cc1ccccc1F H61535 [0,0,0,0,0,1|2,0,0]=3 791 B11R1.86 CC(=O)Nc1ccccc1Br L20132 [0,0,0,0,0,1|2,0,0]=3 792 B11R1.86 CC(=O)Nc1ccccc1Cl A14711 [0,0,0,0,0,1|2,0,0]=3 793 B11R1.86 CC(=O)Nc1ccccc1F A16927 [0,0,0,0,0,1|2,0,0]=3 794 B11R1.86 CC(=O)Nc1ccccc1N H27343 [0,0,0,0,0,1|2,0,0]=3 795 B11R1.86 CC(=O)Nc1ccccc1O B21264 [0,0,0,0,0,1|1,0,0]=2 796 B11R1.86 CC(C)Oc1ccccc1O L07360 [0,0,0,0,0,1|2,0,1]=4 797 B11R1.86 Cc1ccccc1CC(=O)Cl H37418 [0,0,0,0,0,1|2,0,0]=3 798 B11R1.86 Cc1ccccc1CC(=O)O A15783 [0,0,0,0,0,1|1,0,0]=2 799 B11R1.86 Cc1ccccc1CC(=S)N H33111 [0,0,0,0,0,1|2,1,0]=4 800 B11R1.86 Cc1ccccc1NC(=O)C A13235 [0,0,0,0,0,1|2,0,0]=3 801 B11R1.86 Cc1ccccc1NC(=O)N B23086 [0,0,0,0,0,1|2,0,0]=3 802 B11R1.86 Cc1ccccc1NC(=S)N B22350 [0,0,0,0,0,1|2,1,0]=4 803 B11R1.86 c1ccc(c(c1)CC(=O)O)Br A16900 [0,0,0,0,0,1|1,0,0]=2 804 B11R1.86 c1ccc(c(c1)CC(=O)O)Cl A15834 [0,0,0,0,0,1|1,0,0]=2 805 B11R1.86 c1ccc(c(c1)CC(=O)O)F A10596 [0,0,0,0,0,1|1,0,0]=2 806 B11R1.86 c1ccc(c(c1)CC(=O)O)I L15116 [0,0,0,0,0,1|1,0,0]=2 807 B11R1.86 c1ccc(c(c1)CC(=O)O)O A13924 [0,0,0,0,0,1|0,0,0]=1 808 B11R1.86 c1ccc(c(c1)CC(=S)N)Cl H26685 [0,0,0,0,0,1|2,1,0]=4 809 B11R1.86 c1ccc(c(c1)NC(=O)N)F L01247 [0,0,0,0,0,1|2,0,0]=3 810 B11R1.86 c1ccc(c(c1)NC(=S)N)Br L10098 [0,0,0,0,0,1|2,1,0]=4 811 B11R1.86 c1ccc(c(c1)NC(=S)N)Cl L05711 [0,0,0,0,0,1|2,1,0]=4 812 B11R1.86 c1ccc(c(c1)NC(=S)N)F B20883 [0,0,0,0,0,1|2,1,0]=4 813 B11R1.86 c1ccc(c(c1)NC(=S)N)O L10519 [0,0,0,0,0,1|1,1,0]=3 814 B8R1.2 C#Cc1ccccc1 A12139 [2,0,0,0,0,0|1,0,1]=4 815 B8R1.2 C=Cc1ccccc1 16199 [2,0,0,0,0,0|1,0,0]=3 816 B8R1.2 C=Cc1ccccc1 A18481 [2,0,0,0,0,0|1,0,0]=3 817 B8R1.2 C=Cc1ccccn1 A14056 [2,0,0,0,0,0|2,0,0]=4 818 B8R1.2 C=Cc1ccncc1 H36621 [2,0,0,0,0,0|2,0,0]=4 819 B8R1.2 C=Cc1ccncc1 L13316 [2,0,0,0,0,0|2,0,0]=4 820 B8R1.2 CCc1ccccc1 L05908 [2,0,0,0,0,0|1,0,1]=4 821 B8R1.2 CNc1ccccc1 L13873 [2,0,0,0,0,0|2,0,0]=4 822 B8R1.2 COc1ccccc1 A12997 [2,0,0,0,0,0|2,0,0]=4 823 B8R1.2 CSc1ccccc1 A14846 [2,0,0,0,0,0|2,0,0]=4 824 B8R1.2 C[NH2+]c1ccccc1 A17781 [2,0,0,0,0,0|2,0,0]=4 825 B8R1.2 [2H]Oc1ccccc1 H51100 [2,0,0,0,0,0|2,0,0]=4 826 B8R1.2 [C-]#Cc1ccccc1 17538 [2,0,0,0,0,0|1,0,1]=4 827 B8R1.2 c1c(cncn1)C=O H54448 [2,0,0,0,0,0|2,0,0]=4 828 B8R1.2 c1cc(cnc1)C=O A14607 [2,0,0,0,0,0|1,0,0]=3 829 B8R1.2 c1cc(cnc1)CO A10381 [2,0,0,0,0,0|1,0,1]=4 830 B8R1.2 c1ccc(cc1)C#N 10004 [2,0,0,0,0,0|1,0,1]=4 831 B8R1.2 c1ccc(cc1)C#N 10006 [2,0,0,0,0,0|1,0,1]=4 832 B8R1.2 c1ccc(cc1)C#N A11173 [2,0,0,0,0,0|1,0,1]=4 833 B8R1.2 c1ccc(cc1)C=O 30749 [2,0,0,0,0,0|0,0,0]=2 834 B8R1.2 c1ccc(cc1)C=O A10348 [2,0,0,0,0,0|0,0,0]=2 835 B8R1.2 c1ccc(cc1)C=O L19475 [2,0,0,0,0,0|0,0,0]=2 836 B8R1.2 c1ccc(cc1)CBr A13535 [2,0,0,0,0,0|1,0,1]=4 837 B8R1.2 c1ccc(cc1)CCl A12481 [2,0,0,0,0,0|1,0,1]=4 838 B8R1.2 c1ccc(cc1)CN A10997 [2,0,0,0,0,0|1,0,1]=4 839 B8R1.2 c1ccc(cc1)CN L04102 [2,0,0,0,0,0|1,0,1]=4 840 B8R1.2 c1ccc(cc1)CN L19471 [2,0,0,0,0,0|1,0,1]=4 841 B8R1.2 c1ccc(cc1)CO 41218 [2,0,0,0,0,0|0,0,1]=3 842 B8R1.2 c1ccc(cc1)CO L03292 [2,0,0,0,0,0|0,0,1]=3 843 B8R1.2 c1ccc(cc1)CO L19592 [2,0,0,0,0,0|0,0,1]=3 844 B8R1.2 c1ccc(cc1)CS 44466 [2,0,0,0,0,0|0,1,1]=4 845 B8R1.2 c1ccc(cc1)CS B20081 [2,0,0,0,0,0|0,1,1]=4 846 B8R1.2 c1ccc(cc1)C[Mg+] 87299 [2,0,0,0,0,0|1,0,1]=4 847 B8R1.2 c1ccc(cc1)C[Mg+] H51154 [2,0,0,0,0,0|1,0,1]=4 848 B8R1.2 c1ccc(cc1)C[Zn+] H58014 [2,0,0,0,0,0|1,0,1]=4 849 B8R1.2 c1ccc(cc1)I=O B24531 [2,0,0,0,0,0|1,0,0]=3 850 B8R1.2 c1ccc(cc1)NN A11246 [2,0,0,0,0,0|2,0,0]=4 851 B8R1.2 c1ccc(cc1)NN A14645 [2,0,0,0,0,0|2,0,0]=4 852 B8R1.2 c1ccc(cc1)[As]=O A14674 [2,0,0,0,0,0|1,0,0]=3 853 B8R1.2 c1ccc(cc1)[Se]Br A11906 [2,0,0,0,0,0|2,0,0]=4 854 B8R1.2 c1ccc(cc1)[Se]Cl A12751 [2,0,0,0,0,0|2,0,0]=4 855 B8R1.2 c1ccnc(c1)C=O A11391 [2,0,0,0,0,0|1,0,0]=3 856 B8R1.2 c1ccnc(c1)CO A15005 [2,0,0,0,0,0|1,0,1]=4 857 B8R1.2 c1cnccc1C=O A10656 [2,0,0,0,0,0|1,0,0]=3 858 B8R1.2 c1cnccc1CO A14698 [2,0,0,0,0,0|1,0,1]=4 859 B8R1.5 Cc1c(cccn1)O B24944 [2,0,0,0,0,0|1,0,1]=4 860 B8R1.5 Cc1ccc[nH]c1=O A12700 [2,0,0,0,0,0|2,0,0]=4 861 B8R1.5 Cc1ccccc1Br A12315 [2,0,0,0,0,0|1,0,1]=4 862 B8R1.5 Cc1ccccc1C 22902 [2,0,0,0,0,0|1,0,1]=4 863 B8R1.5 Cc1ccccc1C 32471 [2,0,0,0,0,0|1,0,1]=4 864 B8R1.5 Cc1ccccc1C A11358 [2,0,0,0,0,0|1,0,1]=4 865 B8R1.5 Cc1ccccc1Cl B23596 [2,0,0,0,0,0|1,0,1]=4 866 B8R1.5 Cc1ccccc1F A16912 [2,0,0,0,0,0|1,0,1]=4 867 B8R1.5 Cc1ccccc1I B22697 [2,0,0,0,0,0|1,0,1]=4 868 B8R1.5 Cc1ccccc1N A13602 [2,0,0,0,0,0|1,0,1]=4 869 B8R1.5 Cc1ccccc1O A12307 [2,0,0,0,0,0|0,0,1]=3 870 B8R1.5 Cc1ccccc1S B22460 [2,0,0,0,0,0|0,1,1]=4 871 B8R1.5 Cc1ccccc1[O-] 89454 [2,0,0,0,0,0|0,0,2]=4 872 B8R1.5 Cc1ccccc1[Zn+] H58749 [2,0,0,0,0,0|1,0,1]=4 873 B8R1.5 Cc1cnccc1O H32265 [2,0,0,0,0,0|1,0,1]=4 874 B8R1.5 Cn1ccccc1=O B24244 [2,0,0,0,0,0|2,0,0]=4 875 B8R1.5 c1cc(c(nc1)Br)O A12687 [2,0,0,0,0,0|2,0,0]=4 876 B8R1.5 c1cc(c(nc1)Cl)O A11376 [2,0,0,0,0,0|2,0,0]=4 877 B8R1.5 c1cc(c(nc1)F)O H32862 [2,0,0,0,0,0|2,0,0]=4 878 B8R1.5 c1cc(c(nc1)I)O L08667 [2,0,0,0,0,0|2,0,0]=4 879 B8R1.5 c1cc(c(nc1)N)O A10665 [2,0,0,0,0,0|2,0,0]=4 880 B8R1.5 c1cc(c(nc1)O)Br L20014 [2,0,0,0,0,0|2,0,0]=4 881 B8R1.5 c1cc(c(nc1)O)Cl L20027 [2,0,0,0,0,0|2,0,0]=4 882 B8R1.5 c1cc(c(nc1)O)F H31705 [2,0,0,0,0,0|2,0,0]=4 883 B8R1.5 c1cc(c(nc1)O)N H64480 [2,0,0,0,0,0|2,0,0]=4 884 B8R1.5 c1cc(c(nc1)O)O L07104 [2,0,0,0,0,0|1,0,0]=3 885 B8R1.5 c1cc[n+](c(c1)O)[O-] H54207 [2,0,0,0,0,0|1,0,1]=4 886 B8R1.5 c1ccc(c(c1)Br)Br A14765 [2,0,0,0,0,0|2,0,0]=4 887 B8R1.5 c1ccc(c(c1)Br)I A17020 [2,0,0,0,0,0|2,0,0]=4 888 B8R1.5 c1ccc(c(c1)Cl)Br A11782 [2,0,0,0,0,0|2,0,0]=4 889 B8R1.5 c1ccc(c(c1)Cl)Cl 19385 [2,0,0,0,0,0|2,0,0]=4 890 B8R1.5 c1ccc(c(c1)Cl)Cl 32154 [2,0,0,0,0,0|2,0,0]=4 891 B8R1.5 c1ccc(c(c1)Cl)Cl A13881 [2,0,0,0,0,0|2,0,0]=4 892 B8R1.5 c1ccc(c(c1)Cl)I A18255 [2,0,0,0,0,0|2,0,0]=4 893 B8R1.5 c1ccc(c(c1)Cl)[Zn+] H58383 [2,0,0,0,0,0|2,0,0]=4 894 B8R1.5 c1ccc(c(c1)F)Br A10635 [2,0,0,0,0,0|2,0,0]=4 895 B8R1.5 c1ccc(c(c1)F)Cl B21209 [2,0,0,0,0,0|2,0,0]=4 896 B8R1.5 c1ccc(c(c1)F)F A10377 [2,0,0,0,0,0|2,0,0]=4 897 B8R1.5 c1ccc(c(c1)F)I A12411 [2,0,0,0,0,0|2,0,0]=4 898 B8R1.5 c1ccc(c(c1)F)S B24995 [2,0,0,0,0,0|1,1,0]=4 899 B8R1.5 c1ccc(c(c1)F)[Zn+] H58066 [2,0,0,0,0,0|2,0,0]=4 900 B8R1.5 c1ccc(c(c1)I)I B24425 [2,0,0,0,0,0|2,0,0]=4 901 B8R1.5 c1ccc(c(c1)N)Br A11788 [2,0,0,0,0,0|2,0,0]=4 902 B8R1.5 c1ccc(c(c1)N)Cl A15758 [2,0,0,0,0,0|2,0,0]=4 903 B8R1.5 c1ccc(c(c1)N)Cl L13483 [2,0,0,0,0,0|2,0,0]=4 904 B8R1.5 c1ccc(c(c1)N)F A12612 [2,0,0,0,0,0|2,0,0]=4 905 B8R1.5 c1ccc(c(c1)N)I A13059 [2,0,0,0,0,0|2,0,0]=4 906 B8R1.5 c1ccc(c(c1)N)N A11946 [2,0,0,0,0,0|2,0,0]=4 907 B8R1.5 c1ccc(c(c1)N)N J60354 [2,0,0,0,0,0|2,0,0]=4 908 B8R1.5 c1ccc(c(c1)N)O A13735 [2,0,0,0,0,0|1,0,0]=3 909 B8R1.5 c1ccc(c(c1)N)S A18952 [2,0,0,0,0,0|1,1,0]=4 910 B8R1.5 c1ccc(c(c1)O)Br A14112 [2,0,0,0,0,0|1,0,0]=3 911 B8R1.5 c1ccc(c(c1)O)Cl A10311 [2,0,0,0,0,0|1,0,0]=3 912 B8R1.5 c1ccc(c(c1)O)F A14979 [2,0,0,0,0,0|1,0,0]=3 913 B8R1.5 c1ccc(c(c1)O)I A13599 [2,0,0,0,0,0|1,0,0]=3 914 B8R1.5 c1ccc(c(c1)O)O A10164 [2,0,0,0,0,0|0,0,0]=2 915 B8R1.5 c1ccc(c(c1)O)S L12519 [2,0,0,0,0,0|0,1,0]=3 916 B8R1.5 c1ccc(c(c1)S)Br B25537 [2,0,0,0,0,0|1,1,0]=4 917 B8R1.5 c1ccc(c(c1)S)Cl A12014 [2,0,0,0,0,0|1,1,0]=4 918 B8R1.5 c1ccc(c(c1)S)S L11253 [2,0,0,0,0,0|0,2,0]=4 919 B8R1.5 c1cncc(c1N)O H35280 [2,0,0,0,0,0|2,0,0]=4 920 B8R1.5 c1cncc(c1O)Br H33754 [2,0,0,0,0,0|2,0,0]=4 921 B8R1.5 c1cncc(c1O)Cl H64783 [2,0,0,0,0,0|2,0,0]=4 922 B8R1.5 c1cncc(c1O)N H27205 [2,0,0,0,0,0|2,0,0]=4 923 B10R1.13 B(c1ccc(cc1)Br)(O)O L01565 [1,1,0,0,0,0|1,0,1]=4 924 B10R1.13 B(c1ccc(cc1)C)(O)O A13347 [1,1,0,0,0,0|1,0,1]=4 925 B10R1.13 B(c1ccc(cc1)Cl)(O)O A15657 [1,1,0,0,0,0|1,0,1]=4 926 B10R1.13 B(c1ccc(cc1)F)(O)O A15991 [1,1,0,0,0,0|1,0,1]=4 927 B10R1.13 B(c1ccc(cc1)I)(O)O H51119 [1,1,0,0,0,0|1,0,1]=4 928 B10R1.13 B(c1ccc(cc1)N)(O)O H27479 [1,1,0,0,0,0|1,0,1]=4 929 B10R1.13 B(c1ccc(cc1)O)(O)O L15594 [1,1,0,0,0,0|1,0,1]=4 930 B10R1.13 CC(=C)c1ccc(cc1)Cl A14913 [1,1,0,0,0,0|2,0,0]=4 931 B10R1.13 CC(=C)c1ccc(cc1)F A14147 [1,1,0,0,0,0|2,0,0]=4 932 B10R1.13 CC(=O)c1ccc(cc1)Br A12222 [1,1,0,0,0,0|1,0,0]=3 933 B10R1.13 CC(=O)c1ccc(cc1)Cl A12115 [1,1,0,0,0,0|1,0,0]=3 934 B10R1.13 CC(=O)c1ccc(cc1)F A13950 [1,1,0,0,0,0|1,0,0]=3 935 B10R1.13 CC(=O)c1ccc(cc1)I A16794 [1,1,0,0,0,0|1,0,0]=3 936 B10R1.13 CC(=O)c1ccc(cc1)N A13213 [1,1,0,0,0,0|1,0,0]=3 937 B10R1.13 CC(=O)c1ccc(cc1)O A11974 [1,1,0,0,0,0|1,0,0]=3 938 B10R1.13 CC(=O)c1ccc(nc1)Br H33204 [1,1,0,0,0,0|2,0,0]=4 939 B10R1.13 CC(c1ccc(cc1)Br)O B23561 [1,1,0,0,0,0|1,0,1]=4 940 B10R1.13 CC(c1ccc(cc1)Cl)O L05038 [1,1,0,0,0,0|1,0,1]=4 941 B10R1.13 CC(c1ccc(cc1)F)O B22097 [1,1,0,0,0,0|1,0,1]=4 942 B10R1.13 CC(c1ccc(cc1)N)O L03341 [1,1,0,0,0,0|1,0,1]=4 943 B10R1.13 Cc1ccc(cc1)C(=C)C H31739 [1,1,0,0,0,0|2,0,0]=4 944 B10R1.13 Cc1ccc(cc1)C(=O)C A14469 [1,1,0,0,0,0|1,0,0]=3 945 B10R1.13 Cc1ccc(cc1)C(=O)Cl A15581 [1,1,0,0,0,0|1,0,0]=3 946 B10R1.13 Cc1ccc(cc1)C(=O)N A11559 [1,1,0,0,0,0|1,0,0]=3 947 B10R1.13 Cc1ccc(cc1)C(=O)O A11506 [1,1,0,0,0,0|0,0,0]=2 948 B10R1.13 Cc1ccc(cc1)C(=S)N B20320 [1,1,0,0,0,0|1,1,0]=4 949 B10R1.13 Cc1ccc(cc1)C(C)O B20832 [1,1,0,0,0,0|1,0,1]=4 950 B10R1.13 Cc1ccc(cc1)S(=O)[O-] A11430 [1,1,0,0,0,0|1,0,1]=4 951 B10R1.13 Cc1ccc(cc1)[N+](=O)[O-] A14398 [1,1,0,0,0,0|1,0,1]=4 952 B10R1.13 Cc1ccc(cn1)C(=O)C H27014 [1,1,0,0,0,0|2,0,0]=4 953 B10R1.13 Cc1ccc(cn1)C(=O)N A16039 [1,1,0,0,0,0|2,0,0]=4 954 B10R1.13 Cc1ccc(cn1)C(=O)O L08877 [1,1,0,0,0,0|1,0,0]=3 955 B10R1.13 Cc1cnc(cn1)C(=O)O A14011 [1,1,0,0,0,0|2,0,0]=4 956 B10R1.13 Cc1ncc(cn1)C(=O)O H64375 [1,1,0,0,0,0|2,0,0]=4 957 B10R1.13 c1c(cnc(n1)C(=O)O)Br H64041 [1,1,0,0,0,0|2,0,0]=4 958 B10R1.13 c1c(ncc(n1)Br)C(=O)O H66382 [1,1,0,0,0,0|2,0,0]=4 959 B10R1.13 c1c(ncc(n1)Cl)C(=O)O H32596 [1,1,0,0,0,0|2,0,0]=4 960 B10R1.13 c1c(ncc(n1)N)C(=O)O H66207 [1,1,0,0,0,0|2,0,0]=4 961 B10R1.13 c1c[n+](ccc1C(=O)O)[O-] L02425 [1,1,0,0,0,0|1,0,0]=3 962 B10R1.13 c1cc(=O)occ1C(=O)O B25521 [1,1,0,0,0,0|1,0,0]=3 963 B10R1.13 c1cc(ccc1C(=N)N)Br H37831 [1,1,0,0,0,0|2,0,0]=4 964 B10R1.13 c1cc(ccc1C(=N)N)Cl A11571 [1,1,0,0,0,0|2,0,0]=4 965 B10R1.13 c1cc(ccc1C(=N)N)F H61570 [1,1,0,0,0,0|2,0,0]=4 966 B10R1.13 c1cc(ccc1C(=N)N)N L14089 [1,1,0,0,0,0|2,0,0]=4 967 B10R1.13 c1cc(ccc1C(=N)N)O H31566 [1,1,0,0,0,0|2,0,0]=4 968 B10R1.13 c1cc(ccc1C(=O)Cl)Br L03794 [1,1,0,0,0,0|1,0,0]=3 969 B10R1.13 c1cc(ccc1C(=O)Cl)Cl A16325 [1,1,0,0,0,0|1,0,0]=3 970 B10R1.13 c1cc(ccc1C(=O)Cl)F A12946 [1,1,0,0,0,0|1,0,0]=3 971 B10R1.13 c1cc(ccc1C(=O)Cl)I B25388 [1,1,0,0,0,0|1,0,0]=3 972 B10R1.13 c1cc(ccc1C(=O)N)Br B24348 [1,1,0,0,0,0|1,0,0]=3 973 B10R1.13 c1cc(ccc1C(=O)N)Cl A13809 [1,1,0,0,0,0|1,0,0]=3 974 B10R1.13 c1cc(ccc1C(=O)N)F L06831 [1,1,0,0,0,0|1,0,0]=3 975 B10R1.13 c1cc(ccc1C(=O)N)N A12594 [1,1,0,0,0,0|1,0,0]=3 976 B10R1.13 c1cc(ccc1C(=O)N)O B24222 [1,1,0,0,0,0|1,0,0]=3 977 B10R1.13 c1cc(ccc1C(=O)O)Br A12518 [1,1,0,0,0,0|0,0,0]=2 978 B10R1.13 c1cc(ccc1C(=O)O)Cl A15135 [1,1,0,0,0,0|0,0,0]=2 979 B10R1.13 c1cc(ccc1C(=O)O)F A14129 [1,1,0,0,0,0|0,0,0]=2 980 B10R1.13 c1cc(ccc1C(=O)O)I A10730 [1,1,0,0,0,0|0,0,0]=2 981 B10R1.13 c1cc(ccc1C(=O)O)N A12673 [1,1,0,0,0,0|0,0,0]=2 982 B10R1.13 c1cc(ccc1C(=O)O)O A13700 [1,1,0,0,0,0|0,0,0]=2 983 B10R1.13 c1cc(ccc1C(=O)[O-])O H56590 [1,1,0,0,0,0|0,0,1]=3 984 B10R1.13 c1cc(ccc1C(=S)N)Br H55956 [1,1,0,0,0,0|1,1,0]=4 985 B10R1.13 c1cc(ccc1C(=S)N)Cl A12021 [1,1,0,0,0,0|1,1,0]=4 986 B10R1.13 c1cc(ccc1C(=S)N)F H32093 [1,1,0,0,0,0|1,1,0]=4 987 B10R1.13 c1cc(ccc1C(=S)N)N H51849 [1,1,0,0,0,0|1,1,0]=4 988 B10R1.13 c1cc(ccc1C(=S)N)O H32780 [1,1,0,0,0,0|1,1,0]=4 989 B10R1.13 c1cc(ccc1Cl)[Se](=O)O B21186 [1,1,0,0,0,0|1,0,0]=3 990 B10R1.13 c1cc(ccc1N)[N+](=O)[O-] A10369 [1,1,0,0,0,0|1,0,1]=4 991 B10R1.13 c1cc(ccc1S(=O)[O-])Br B20281 [1,1,0,0,0,0|1,0,1]=4 992 B10R1.13 c1cc(ccc1S(=O)[O-])Cl A12583 [1,1,0,0,0,0|1,0,1]=4 993 B10R1.13 c1cc(ccc1[N+](=O)[O-])Br A17705 [1,1,0,0,0,0|1,0,1]=4 994 B10R1.13 c1cc(ccc1[N+](=O)[O-])Cl A15396 [1,1,0,0,0,0|1,0,1]=4 995 B10R1.13 c1cc(ccc1[N+](=O)[O-])F A11057 [1,1,0,0,0,0|1,0,1]=4 996 B10R1.13 c1cc(ccc1[N+](=O)[O-])I B23950 [1,1,0,0,0,0|1,0,1]=4 997 B10R1.13 c1cc(ccc1[N+](=O)[O-])O A14376 [1,1,0,0,0,0|1,0,1]=4 998 B10R1.13 c1cc(ccc1[N+](=O)[O-])S H59240 [1,1,0,0,0,0|1,0,1]=4 999 B10R1.13 c1cc(ncc1Br)C(=O)Cl H61760 [1,1,0,0,0,0|2,0,0]=4 1000 B10R1.13 c1cc(ncc1Br)C(=O)O B25675 [1,1,0,0,0,0|1,0,0]=3 1001 B10R1.13 c1cc(ncc1C(=O)Cl)Cl A12354 [1,1,0,0,0,0|2,0,0]=4 1002 B10R1.13 c1cc(ncc1C(=O)N)Cl B21922 [1,1,0,0,0,0|2,0,0]=4 1003 B10R1.13 c1cc(ncc1C(=O)N)N L06692 [1,1,0,0,0,0|2,0,0]=4 1004 B10R1.13 c1cc(ncc1C(=O)O)Br H27926 [1,1,0,0,0,0|1,0,0]=3 1005 B10R1.13 c1cc(ncc1C(=O)O)Cl A15620 [1,1,0,0,0,0|1,0,0]=3 1006 B10R1.13 c1cc(ncc1C(=O)O)F H55147 [1,1,0,0,0,0|1,0,0]=3 1007 B10R1.13 c1cc(ncc1C(=O)O)N A11223 [1,1,0,0,0,0|1,0,0]=3 1008 B10R1.13 c1cc(ncc1C(=O)O)O A15802 [1,1,0,0,0,0|1,0,0]=3 1009 B10R1.13 c1cc(ncc1Cl)C(=O)O H30923 [1,1,0,0,0,0|1,0,0]=3 1010 B10R1.13 c1cc(ncc1F)C(=O)O H32086 [1,1,0,0,0,0|1,0,0]=3 1011 B10R1.13 c1cc(ncc1N)C(=O)O H27589 [1,1,0,0,0,0|1,0,0]=3 1012 B10R1.13 c1cc(ncc1O)C(=O)O H64265 [1,1,0,0,0,0|1,0,0]=3 1013 B10R1.15 C#CC(c1ccccc1)O L09549 [1,1,0,0,0,0|1,0,1]=4 1014 B10R1.15 CC(C=O)c1ccccc1 B22436 [1,1,0,0,0,0|1,0,1]=4 1015 B10R1.15 CC(CO)c1ccccc1 B23473 [1,1,0,0,0,0|1,0,1]=4 1016 B10R1.15 CCC(=O)c1ccccc1 A15140 [1,1,0,0,0,0|1,0,0]=3 1017 B10R1.15 CCC(=O)c1cccnc1 L09711 [1,1,0,0,0,0|2,0,0]=4 1018 B10R1.15 CCC(=O)c1ccncc1 L11552 [1,1,0,0,0,0|2,0,0]=4 1019 B10R1.15 CCC(c1ccccc1)O A10830 [1,1,0,0,0,0|1,0,1]=4 1020 B10R1.15 CC[C@@H](c1ccccc1)O L06608 [1,1,0,0,0,0|1,0,1]=4 1021 B10R1.15 CC[C@H](c1ccccc1)O L05681 [1,1,0,0,0,0|1,0,1]=4 1022 B10R1.15 CN(C=O)c1ccccc1 A11829 [1,1,0,0,0,0|2,0,0]=4 1023 B10R1.15 CNC(=O)c1ccccc1 A18057 [1,1,0,0,0,0|1,0,0]=3 1024 B10R1.15 COC(=O)c1ccccc1 44368 [1,1,0,0,0,0|0,0,0]=2 1025 B10R1.15 COC(=O)c1ccccc1 A12404 [1,1,0,0,0,0|0,0,0]=2 1026 B10R1.15 COC(=O)c1ccccn1 H54530 [1,1,0,0,0,0|1,0,0]=3 1027 B10R1.15 COC(=O)c1cccnc1 B23908 [1,1,0,0,0,0|1,0,0]=3 1028 B10R1.15 COC(=O)c1ccncc1 B23263 [1,1,0,0,0,0|1,0,0]=3 1029 B10R1.15 COC(=O)c1ccnnc1 H27449 [1,1,0,0,0,0|2,0,0]=4 1030 B10R1.15 COC(=O)c1cnccn1 A12028 [1,1,0,0,0,0|2,0,0]=4 1031 B10R1.15 C[C@@H](CO)c1ccccc1 L13999 [1,1,0,0,0,0|1,0,1]=4 1032 B10R1.15 C[C@H](CO)c1ccccc1 L13988 [1,1,0,0,0,0|1,0,1]=4 1033 B10R1.15 C\C(=N/O)\c1ccccc1 A11804 [1,1,0,0,0,0|1,0,0]=3 1034 B10R1.15 C\C(=N/O)\c1ccccn1 H52232 [1,1,0,0,0,0|2,0,0]=4 1035 B10R1.15 C\C(=N/O)\c1cccnc1 H52154 [1,1,0,0,0,0|2,0,0]=4 1036 B10R1.15 C\C(=N/O)\c1ccncc1 H52207 [1,1,0,0,0,0|2,0,0]=4 1037 B10R1.15 c1cc(cnc1)C(=O)NN L02059 [1,1,0,0,0,0|2,0,0]=4 1038 B10R1.15 c1cc(cnc1)C(=O)[NH2+][O-] H61292 [1,1,0,0,0,0|1,0,1]=4 1039 B10R1.15 c1cc(cnc1)\C(=N\O)\N H51749 [1,1,0,0,0,0|2,0,0]=4 1040 B10R1.15 c1ccc(cc1)C(=O)C=O A10677 [1,1,0,0,0,0|0,0,1]=3 1041 B10R1.15 c1ccc(cc1)C(=O)CBr A15576 [1,1,0,0,0,0|1,0,0]=3 1042 B10R1.15 c1ccc(cc1)C(=O)CCl A10749 [1,1,0,0,0,0|1,0,0]=3 1043 B10R1.15 c1ccc(cc1)C(=O)CN H29117 [1,1,0,0,0,0|1,0,0]=3 1044 B10R1.15 c1ccc(cc1)C(=O)CO 42013 [1,1,0,0,0,0|0,0,0]=2 1045 B10R1.15 c1ccc(cc1)C(=O)NN A12268 [1,1,0,0,0,0|1,0,0]=3 1046 B10R1.15 c1ccc(cc1)C(=O)NO A10509 [1,1,0,0,0,0|0,0,0]=2 1047 B10R1.15 c1ccc(cc1)C(C#N)O L08698 [1,1,0,0,0,0|1,0,1]=4 1048 B10R1.15 c1ccc(cc1)C(CCl)O L14538 [1,1,0,0,0,0|1,0,1]=4 1049 B10R1.15 c1ccc(cc1)C(CN)O H63932 [1,1,0,0,0,0|1,0,1]=4 1050 B10R1.15 c1ccc(cc1)C(CO)O L04551 [1,1,0,0,0,0|0,0,2]=4 1051 B10R1.15 c1ccc(cc1)N(N=O)[O-] A16551 [1,1,0,0,0,0|1,0,1]=4 1052 B10R1.15 c1ccc(cc1)[C@@H](CN)O L19404 [1,1,0,0,0,0|1,0,1]=4 1053 B10R1.15 c1ccc(cc1)[C@@H](CO)N L13265 [1,1,0,0,0,0|1,0,1]=4 1054 B10R1.15 c1ccc(cc1)[C@@H](CO)O L09836 [1,1,0,0,0,0|0,0,2]=4 1055 B10R1.15 c1ccc(cc1)[C@H](C#N)O H56658 [1,1,0,0,0,0|1,0,1]=4 1056 B10R1.15 c1ccc(cc1)[C@H](CN)O L19403 [1,1,0,0,0,0|1,0,1]=4 1057 B10R1.15 c1ccc(cc1)[C@H](CO)N A19030 [1,1,0,0,0,0|1,0,1]=4 1058 B10R1.15 c1ccc(cc1)[C@H](CO)O L10494 [1,1,0,0,0,0|0,0,2]=4 1059 B10R1.15 c1ccc(cc1)\C(=N\O)\N H26068 [1,1,0,0,0,0|1,0,0]=3 1060 B10R1.15 c1ccnc(c1)\C(=N\O)\N H51705 [1,1,0,0,0,0|2,0,0]=4 1061 B10R1.15 c1cnccc1C(=O)CBr H32285 [1,1,0,0,0,0|2,0,0]=4 1062 B10R1.15 c1cnccc1C(=O)NN A10583 [1,1,0,0,0,0|2,0,0]=4 1063 B10R1.15 c1cnccc1\C(=N\O)\N H51722 [1,1,0,0,0,0|2,0,0]=4 1064 B10R1.28 CC(C)(c1ccccc1)O A15580 [1,1,0,0,0,0|1,0,1]=4 1065 B10R1.28 CP(=O)(c1ccccc1)Cl A18349 [1,1,0,0,0,0|2,0,0]=4 1066 B10R1.28 CP(=O)(c1ccccc1)O A19774 [1,1,0,0,0,0|1,0,0]=3 1067 B10R1.28 CS(=O)(=O)c1ccccc1 A11727 [1,1,0,0,0,0|1,0,1]=4 1068 B10R1.28 C[S@@](=N)(=O)c1ccccc1 L08562 [1,1,0,0,0,0|2,0,0]=4 1069 B10R1.28 C[S@](=N)(=O)c1ccccc1 L08618 [1,1,0,0,0,0|2,0,0]=4 1070 B10R1.28 C[Si](C)(c1ccccc1)O H27377 [1,1,0,0,0,0|1,1,0]=4 1071 B10R1.28 c1cc(cnc1)S(=O)(=O)O A13101 [1,1,0,0,0,0|2,0,0]=4 1072 B10R1.28 c1ccc(cc1)P(=O)(Cl)Cl A13777 [1,1,0,0,0,0|2,0,0]=4 1073 B10R1.28 c1ccc(cc1)P(=O)(O)O B22939 [1,1,0,0,0,0|1,0,0]=3 1074 B10R1.28 c1ccc(cc1)S(=O)(=O)Cl A10849 [1,1,0,0,0,0|1,0,1]=4 1075 B10R1.28 c1ccc(cc1)S(=O)(=O)Cl L19465 [1,1,0,0,0,0|1,0,1]=4 1076 B10R1.28 c1ccc(cc1)S(=O)(=O)F L04689 [1,1,0,0,0,0|1,0,1]=4 1077 B10R1.28 c1ccc(cc1)S(=O)(=O)N A10891 [1,1,0,0,0,0|1,0,1]=4 1078 B10R1.28 c1ccc(cc1)S(=O)(=O)O A16148 [1,1,0,0,0,0|1,0,0]=3 1079 B10R1.28 c1ccc(cc1)S(=O)(=O)O L19077 [1,1,0,0,0,0|1,0,0]=3 1080 B10R1.28 c1ccc(cc1)S(=O)(=O)[O-] L12072 [1,1,0,0,0,0|1,0,1]=4 1081 B10R1.28 c1ccc(cc1)[As](=O)(O)O A10625 [1,1,0,0,0,0|1,0,0]=3 1082 B10R1.113 B(c1cccc(c1)Br)(O)O L16354 [1,1,0,0,0,0|1,0,1]=4 1083 B10R1.113 B(c1cccc(c1)C)(O)O B23025 [1,1,0,0,0,0|1,0,1]=4 1084 B10R1.113 B(c1cccc(c1)Cl)(O)O B24444 [1,1,0,0,0,0|1,0,1]=4 1085 B10R1.113 B(c1cccc(c1)F)(O)O B21247 [1,1,0,0,0,0|1,0,1]=4 1086 B10R1.113 B(c1cccc(c1)I)(O)O H51112 [1,1,0,0,0,0|1,0,1]=4 1087 B10R1.113 B(c1cccc(c1)N)(O)O A17240 [1,1,0,0,0,0|1,0,1]=4 1088 B10R1.113 B(c1cccc(c1)N)(O)O A18189 [1,1,0,0,0,0|1,0,1]=4 1089 B10R1.113 B(c1cccc(c1)N)(O)O H52595 [1,1,0,0,0,0|1,0,1]=4 1090 B10R1.113 B(c1cccc(c1)N)(O)O H52909 [1,1,0,0,0,0|1,0,1]=4 1091 B10R1.113 B(c1cccc(c1)O)(O)O L19061 [1,1,0,0,0,0|1,0,1]=4 1092 B10R1.113 CC(=O)c1cc(ccn1)Br H66562 [1,1,0,0,0,0|2,0,0]=4 1093 B10R1.113 CC(=O)c1cc(cnc1)Br L19362 [1,1,0,0,0,0|2,0,0]=4 1094 B10R1.113 CC(=O)c1cccc(c1)Br A12454 [1,1,0,0,0,0|1,0,0]=3 1095 B10R1.113 CC(=O)c1cccc(c1)Cl A15592 [1,1,0,0,0,0|1,0,0]=3 1096 B10R1.113 CC(=O)c1cccc(c1)F A11733 [1,1,0,0,0,0|1,0,0]=3 1097 B10R1.113 CC(=O)c1cccc(c1)N A12503 [1,1,0,0,0,0|1,0,0]=3 1098 B10R1.113 CC(=O)c1cccc(c1)O A12547 [1,1,0,0,0,0|1,0,0]=3 1099 B10R1.113 CC(=O)c1cccc(n1)Br H55981 [1,1,0,0,0,0|2,0,0]=4 1100 B10R1.113 CC(=O)c1ccnc(c1)Cl H33619 [1,1,0,0,0,0|2,0,0]=4 1101 B10R1.113 CC(c1cccc(c1)Cl)O L04783 [1,1,0,0,0,0|1,0,1]=4 1102 B10R1.113 CC(c1cccc(c1)F)O B23144 [1,1,0,0,0,0|1,0,1]=4 1103 B10R1.113 CC(c1cccc(c1)N)O L06513 [1,1,0,0,0,0|1,0,1]=4 1104 B10R1.113 Cc1cc(ccn1)C(=O)O H57969 [1,1,0,0,0,0|1,0,0]=3 1105 B10R1.113 Cc1cc(cnc1)C(=O)N L18970 [1,1,0,0,0,0|2,0,0]=4 1106 B10R1.113 Cc1cc(cnc1)C(=O)O L16370 [1,1,0,0,0,0|1,0,0]=3 1107 B10R1.113 Cc1cccc(c1)C(=C)C H50760 [1,1,0,0,0,0|2,0,0]=4 1108 B10R1.113 Cc1cccc(c1)C(=O)C L00440 [1,1,0,0,0,0|1,0,0]=3 1109 B10R1.113 Cc1cccc(c1)C(=O)Cl B23914 [1,1,0,0,0,0|1,0,0]=3 1110 B10R1.113 Cc1cccc(c1)C(=O)N B24442 [1,1,0,0,0,0|1,0,0]=3 1111 B10R1.113 Cc1cccc(c1)C(=O)O A13785 [1,1,0,0,0,0|0,0,0]=2 1112 B10R1.113 Cc1cccc(c1)C(=S)N H26468 [1,1,0,0,0,0|1,1,0]=4 1113 B10R1.113 Cc1cccc(c1)C(C)O H32784 [1,1,0,0,0,0|1,0,1]=4 1114 B10R1.113 Cc1cccc(n1)C(=O)C H65997 [1,1,0,0,0,0|2,0,0]=4 1115 B10R1.113 Cc1cccc(n1)C(=O)O H26302 [1,1,0,0,0,0|1,0,0]=3 1116 B10R1.113 c1c(cncc1Br)C(=O)Cl L15510 [1,1,0,0,0,0|2,0,0]=4 1117 B10R1.113 c1c(cncc1Br)C(=O)N A17840 [1,1,0,0,0,0|2,0,0]=4 1118 B10R1.113 c1c(cncc1Br)C(=O)O A13589 [1,1,0,0,0,0|1,0,0]=3 1119 B10R1.113 c1c(cncc1Cl)C(=O)O H26804 [1,1,0,0,0,0|1,0,0]=3 1120 B10R1.113 c1c(cncc1F)C(=O)O H61162 [1,1,0,0,0,0|1,0,0]=3 1121 B10R1.113 c1c(cncc1N)C(=O)O H60192 [1,1,0,0,0,0|1,0,0]=3 1122 B10R1.113 c1c(cncc1O)C(=O)O H30725 [1,1,0,0,0,0|1,0,0]=3 1123 B10R1.113 c1c(nc(cn1)Cl)C(=O)O H66404 [1,1,0,0,0,0|2,0,0]=4 1124 B10R1.113 c1cc(cc(c1)Br)C(=O)Cl A15256 [1,1,0,0,0,0|1,0,0]=3 1125 B10R1.113 c1cc(cc(c1)Br)C(=O)N H64672 [1,1,0,0,0,0|1,0,0]=3 1126 B10R1.113 c1cc(cc(c1)Br)C(=O)O A12606 [1,1,0,0,0,0|0,0,0]=2 1127 B10R1.113 c1cc(cc(c1)Cl)C(=O)Cl A13509 [1,1,0,0,0,0|1,0,0]=3 1128 B10R1.113 c1cc(cc(c1)Cl)C(=O)N A11389 [1,1,0,0,0,0|1,0,0]=3 1129 B10R1.113 c1cc(cc(c1)Cl)C(=O)O A10876 [1,1,0,0,0,0|0,0,0]=2 1130 B10R1.113 c1cc(cc(c1)Cl)C(=S)N H26423 [1,1,0,0,0,0|1,1,0]=4 1131 B10R1.113 c1cc(cc(c1)Cl)[N+](=O)[O-] B23423 [1,1,0,0,0,0|1,0,1]=4 1132 B10R1.113 c1cc(cc(c1)F)C(=O)Cl L09152 [1,1,0,0,0,0|1,0,0]=3 1133 B10R1.113 c1cc(cc(c1)F)C(=O)N L06701 [1,1,0,0,0,0|1,0,0]=3 1134 B10R1.113 c1cc(cc(c1)F)C(=O)O A16511 [1,1,0,0,0,0|0,0,0]=2 1135 B10R1.113 c1cc(cc(c1)F)[N+](=O)[O-] B25553 [1,1,0,0,0,0|1,0,1]=4 1136 B10R1.113 c1cc(cc(c1)I)C(=O)Cl L17451 [1,1,0,0,0,0|1,0,0]=3 1137 B10R1.113 c1cc(cc(c1)I)C(=O)O A11515 [1,1,0,0,0,0|0,0,0]=2 1138 B10R1.113 c1cc(cc(c1)I)[N+](=O)[O-] B21605 [1,1,0,0,0,0|1,0,1]=4 1139 B10R1.113 c1cc(cc(c1)N)C(=O)N A10793 [1,1,0,0,0,0|1,0,0]=3 1140 B10R1.113 c1cc(cc(c1)N)C(=O)O A19540 [1,1,0,0,0,0|0,0,0]=2 1141 B10R1.113 c1cc(cc(c1)N)C(=O)O L08407 [1,1,0,0,0,0|0,0,0]=2 1142 B10R1.113 c1cc(cc(c1)N)C(=S)N H51806 [1,1,0,0,0,0|1,1,0]=4 1143 B10R1.113 c1cc(cc(c1)O)C(=O)O A13628 [1,1,0,0,0,0|0,0,0]=2 1144 B10R1.113 c1cc(cc(c1)O)C(=S)N H52236 [1,1,0,0,0,0|1,1,0]=4 1145 B10R1.113 c1cc(cc(c1)O)[N+](=O)[O-] A15312 [1,1,0,0,0,0|1,0,1]=4 1146 B10R1.113 c1cc(cc(c1)[N+](=O)[O-])N A10629 [1,1,0,0,0,0|1,0,1]=4 1147 B10R1.113 c1cc(nc(c1)Br)C(=O)N H31811 [1,1,0,0,0,0|2,0,0]=4 1148 B10R1.113 c1cc(nc(c1)Br)C(=O)O H30553 [1,1,0,0,0,0|1,0,0]=3 1149 B10R1.113 c1cc(nc(c1)Cl)C(=O)N H33547 [1,1,0,0,0,0|2,0,0]=4 1150 B10R1.113 c1cc(nc(c1)Cl)C(=O)O L19448 [1,1,0,0,0,0|1,0,0]=3 1151 B10R1.113 c1cc(nc(c1)F)C(=O)N H32911 [1,1,0,0,0,0|2,0,0]=4 1152 B10R1.113 c1cc(nc(c1)F)C(=O)O H26106 [1,1,0,0,0,0|1,0,0]=3 1153 B10R1.113 c1cc(nc(c1)N)C(=O)O H31861 [1,1,0,0,0,0|1,0,0]=3 1154 B10R1.113 c1cnc(cc1Br)C(=O)O H64244 [1,1,0,0,0,0|1,0,0]=3 1155 B10R1.113 c1cnc(cc1C(=O)N)Br L19854 [1,1,0,0,0,0|2,0,0]=4 1156 B10R1.113 c1cnc(cc1C(=O)N)Cl H25769 [1,1,0,0,0,0|2,0,0]=4 1157 B10R1.113 c1cnc(cc1C(=O)N)I H31468 [1,1,0,0,0,0|2,0,0]=4 1158 B10R1.113 c1cnc(cc1C(=O)N)N L19843 [1,1,0,0,0,0|2,0,0]=4 1159 B10R1.113 c1cnc(cc1C(=O)O)Br L19855 [1,1,0,0,0,0|1,0,0]=3 1160 B10R1.113 c1cnc(cc1C(=O)O)Cl L19449 [1,1,0,0,0,0|1,0,0]=3 1161 B10R1.113 c1cnc(cc1C(=O)O)F 44755 [1,1,0,0,0,0|1,0,0]=3 1162 B10R1.113 c1cnc(cc1C(=O)O)I H31002 [1,1,0,0,0,0|1,0,0]=3 1163 B10R1.113 c1cnc(cc1C(=O)O)N L19845 [1,1,0,0,0,0|1,0,0]=3 1164 B10R1.113 c1cnc(cc1C(=O)O)O H64241 [1,1,0,0,0,0|1,0,0]=3 1165 B10R1.113 c1cnc(cc1Cl)C(=O)N H65265 [1,1,0,0,0,0|2,0,0]=4 1166 B10R1.113 c1cnc(cc1Cl)C(=O)O H32301 [1,1,0,0,0,0|1,0,0]=3 1167 B10R1.113 c1cnc(cc1O)C(=O)O H34262 [1,1,0,0,0,0|1,0,0]=3 1168 B10R1.2 CCc1cccc(c1O)C B25213 [1,1,0,0,0,0|1,0,1]=4 1169 B10R1.2 COc1cccc(c1O)Br B25535 [1,1,0,0,0,0|2,0,0]=4 1170 B10R1.2 COc1cccc(c1O)F H26471 [1,1,0,0,0,0|2,0,0]=4 1171 B10R1.2 COc1cccc(c1O)O B20006 [1,1,0,0,0,0|2,0,0]=4 1172 B10R1.2 Cc1c(cccc1F)C=O H64268 [1,1,0,0,0,0|1,0,0]=3 1173 B10R1.2 Cc1cccc(c1C)C=O H64425 [1,1,0,0,0,0|1,0,0]=3 1174 B10R1.2 c1cc(c(c(c1)Br)F)C=O H64650 [1,1,0,0,0,0|1,0,0]=3 1175 B10R1.2 c1cc(c(c(c1)Br)F)CO H64371 [1,1,0,0,0,0|1,0,1]=4 1176 B10R1.2 c1cc(c(c(c1)Br)O)C#N H66401 [1,1,0,0,0,0|1,0,1]=4 1177 B10R1.2 c1cc(c(c(c1)Cl)Cl)C=O A10118 [1,1,0,0,0,0|1,0,0]=3 1178 B10R1.2 c1cc(c(c(c1)Cl)F)C=O B22975 [1,1,0,0,0,0|1,0,0]=3 1179 B10R1.2 c1cc(c(c(c1)F)Br)C=O H64400 [1,1,0,0,0,0|1,0,0]=3 1180 B10R1.2 c1cc(c(c(c1)F)Cl)C=O H34238 [1,1,0,0,0,0|1,0,0]=3 1181 B10R1.2 c1cc(c(c(c1)F)F)C=O B20093 [1,1,0,0,0,0|1,0,0]=3 1182 B10R1.2 c1cc(c(c(c1)F)F)CO B20980 [1,1,0,0,0,0|1,0,1]=4 1183 B10R1.2 c1cc(c(c(c1)F)O)C=O L19324 [1,1,0,0,0,0|0,0,0]=2 1184 B10R1.2 c1cc(c(c(c1)O)O)C=O A13490 [1,1,0,0,0,0|0,0,0]=2 1185 B10R1.2 c1cnc(c(c1C=O)F)Cl H61866 [1,1,0,0,0,0|2,0,0]=4 1186 B10R1.2 c1cnc(c(c1C=O)O)Br H55187 [1,1,0,0,0,0|1,0,0]=3 1187 B10R1.4 C=CCc1ccccc1O A10755 [1,1,0,0,0,0|1,0,0]=3 1188 B10R1.4 CCCc1ccccc1O A11088 [1,1,0,0,0,0|1,0,1]=4 1189 B10R1.4 CCOc1ccccc1O B24755 [1,1,0,0,0,0|1,0,1]=4 1190 B10R1.4 Cc1ccccc1N=C=O L12247 [1,1,0,0,0,0|1,0,1]=4 1191 B10R1.4 Cc1ccccc1NC=O B25134 [1,1,0,0,0,0|1,0,0]=3 1192 B10R1.4 c1ccc(c(c1)CCO)F L19998 [1,1,0,0,0,0|1,0,1]=4 1193 B10R1.4 c1ccc(c(c1)N=C=O)Br L12521 [1,1,0,0,0,0|1,0,1]=4 1194 B10R1.4 c1ccc(c(c1)N=C=O)Cl B21489 [1,1,0,0,0,0|1,0,1]=4 1195 B10R1.4 c1ccc(c(c1)N=C=O)F A17466 [1,1,0,0,0,0|1,0,1]=4 1196 B10R1.4 c1ccc(c(c1)\C=N\N)O B22878 [1,1,0,0,0,0|1,0,0]=3 1197 B10R1.4 c1ccc(c(c1)\C=N\O)Br B23023 [1,1,0,0,0,0|1,0,0]=3 1198 B10R1.4 c1ccc(c(c1)\C=N\O)O A11080 [1,1,0,0,0,0|0,0,0]=2 1199 B10R1.20 C=Cc1ccccc1C=C 42804 [1,1,0,0,0,0|2,0,0]=4 1200 B10R1.20 C=Cc1ccccc1C=C 42805 [1,1,0,0,0,0|2,0,0]=4 1201 B10R1.20 COc1c(cccn1)C=O H50087 [1,1,0,0,0,0|1,0,0]=3 1202 B10R1.20 COc1ccccc1C#N L01293 [1,1,0,0,0,0|1,0,1]=4 1203 B10R1.20 COc1ccccc1C=O A10770 [1,1,0,0,0,0|0,0,0]=2 1204 B10R1.20 COc1ccccc1CN L02273 [1,1,0,0,0,0|1,0,1]=4 1205 B10R1.20 COc1ccccc1CO A14016 [1,1,0,0,0,0|0,0,1]=3 1206 B10R1.20 COc1ccccc1C[Mg+] H54177 [1,1,0,0,0,0|1,0,1]=4 1207 B10R1.20 COc1ccccc1OC A11985 [1,1,0,0,0,0|2,0,0]=4 1208 B10R1.20 c1ccc(c(c1)C=O)C#N H29027 [1,1,0,0,0,0|1,0,0]=3 1209 B10R1.20 c1ccc(c(c1)C=O)C=O A13299 [1,1,0,0,0,0|0,0,1]=3 1210 B10R1.20 c1ccc(c(c1)CO)CO B23008 [1,1,0,0,0,0|0,0,1]=3 1211 B10R1.25 CCc1ccc(cc1O)O B21575 [1,1,0,0,0,0|1,0,1]=4 1212 B10R1.25 COc1ccc(cc1O)N L10234 [1,1,0,0,0,0|2,0,0]=4 1213 B10R1.25 Cc1cc(ccc1C=O)Br H61314 [1,1,0,0,0,0|1,0,0]=3 1214 B10R1.25 Cc1cc(ccc1C=O)F H26266 [1,1,0,0,0,0|1,0,0]=3 1215 B10R1.25 Cc1cc(ccc1CO)Cl H27554 [1,1,0,0,0,0|1,0,1]=4 1216 B10R1.25 Cc1cc(ccc1CO)F H32364 [1,1,0,0,0,0|1,0,1]=4 1217 B10R1.25 Cc1ccc(c(c1)Br)C=O H27558 [1,1,0,0,0,0|1,0,0]=3 1218 B10R1.25 Cc1ccc(c(c1)C)C=C A14286 [1,1,0,0,0,0|2,0,0]=4 1219 B10R1.25 Cc1ccc(c(c1)C)C=O A14655 [1,1,0,0,0,0|1,0,0]=3 1220 B10R1.25 Cc1ccc(c(c1)C)CO L02899 [1,1,0,0,0,0|1,0,1]=4 1221 B10R1.25 Cc1ccc(c(c1)F)C=O H26626 [1,1,0,0,0,0|1,0,0]=3 1222 B10R1.25 Cc1ccc(c(c1)O)C=O H33909 [1,1,0,0,0,0|0,0,0]=2 1223 B10R1.25 Cc1ccc(c(c1)O)OC L09044 [1,1,0,0,0,0|2,0,0]=4 1224 B10R1.25 c1cc(c(cc1Br)Br)CO H64741 [1,1,0,0,0,0|1,0,1]=4 1225 B10R1.25 c1cc(c(cc1Br)Cl)C=O H27418 [1,1,0,0,0,0|1,0,0]=3 1226 B10R1.25 c1cc(c(cc1Br)F)C=O A16112 [1,1,0,0,0,0|1,0,0]=3 1227 B10R1.25 c1cc(c(cc1Br)F)CO L18679 [1,1,0,0,0,0|1,0,1]=4 1228 B10R1.25 c1cc(c(cc1Br)O)C=O H54850 [1,1,0,0,0,0|0,0,0]=2 1229 B10R1.25 c1cc(c(cc1Cl)Cl)C=O A12525 [1,1,0,0,0,0|1,0,0]=3 1230 B10R1.25 c1cc(c(cc1Cl)Cl)CO A13338 [1,1,0,0,0,0|1,0,1]=4 1231 B10R1.25 c1cc(c(cc1Cl)F)C=O A16110 [1,1,0,0,0,0|1,0,0]=3 1232 B10R1.25 c1cc(c(cc1F)Br)CO H61850 [1,1,0,0,0,0|1,0,1]=4 1233 B10R1.25 c1cc(c(cc1F)Cl)C=O A15345 [1,1,0,0,0,0|1,0,0]=3 1234 B10R1.25 c1cc(c(cc1F)F)C=O A17052 [1,1,0,0,0,0|1,0,0]=3 1235 B10R1.25 c1cc(c(cc1F)F)CO A19945 [1,1,0,0,0,0|1,0,1]=4 1236 B10R1.25 c1cc(c(cc1F)O)C=O H26149 [1,1,0,0,0,0|0,0,0]=2 1237 B10R1.25 c1cc(c(cc1O)Cl)C=O H55771 [1,1,0,0,0,0|1,0,0]=3 1238 B10R1.25 c1cc(c(cc1O)F)C=O H26218 [1,1,0,0,0,0|1,0,0]=3 1239 B10R1.25 c1cc(c(cc1O)O)C=O A12868 [1,1,0,0,0,0|0,0,0]=2 1240 B10R1.25 c1cc(nc(c1C=O)F)F H64422 [1,1,0,0,0,0|2,0,0]=4 1241 B10R1.30 COc1cc(ccc1O)Br L08801 [1,1,0,0,0,0|2,0,0]=4 1242 B10R1.30 COc1cc(ccc1O)Cl A14806 [1,1,0,0,0,0|2,0,0]=4 1243 B10R1.30 COc1cc(ccc1O)F B22211 [1,1,0,0,0,0|2,0,0]=4 1244 B10R1.30 COc1cc(ccc1O)O A12847 [1,1,0,0,0,0|2,0,0]=4 1245 B10R1.30 Cc1cc(c(nc1)N)C=O H66175 [1,1,0,0,0,0|2,0,0]=4 1246 B10R1.30 Cc1ccc(c(c1)C=C)C B21476 [1,1,0,0,0,0|2,0,0]=4 1247 B10R1.30 Cc1ccc(c(c1)C=O)C L01924 [1,1,0,0,0,0|1,0,0]=3 1248 B10R1.30 Cc1ccc(c(c1)C=O)F H26661 [1,1,0,0,0,0|1,0,0]=3 1249 B10R1.30 Cc1ccc(c(c1)CO)C L01624 [1,1,0,0,0,0|1,0,1]=4 1250 B10R1.30 Cc1ccc(c(c1)OC)O A13603 [1,1,0,0,0,0|2,0,0]=4 1251 B10R1.30 Cc1ccc(cc1C=O)F H26799 [1,1,0,0,0,0|1,0,0]=3 1252 B10R1.30 Cc1ccc(cc1CO)F H32648 [1,1,0,0,0,0|1,0,1]=4 1253 B10R1.30 c1c(cnc(c1C=O)F)Br H61123 [1,1,0,0,0,0|2,0,0]=4 1254 B10R1.30 c1c(cnc(c1C=O)N)I H50006 [1,1,0,0,0,0|2,0,0]=4 1255 B10R1.30 c1cc(c(cc1Br)C#N)O H55333 [1,1,0,0,0,0|1,0,1]=4 1256 B10R1.30 c1cc(c(cc1Br)C=O)Br H31689 [1,1,0,0,0,0|1,0,0]=3 1257 B10R1.30 c1cc(c(cc1Br)C=O)Cl H64438 [1,1,0,0,0,0|1,0,0]=3 1258 B10R1.30 c1cc(c(cc1Br)C=O)F A14219 [1,1,0,0,0,0|1,0,0]=3 1259 B10R1.30 c1cc(c(cc1Br)C=O)N H33491 [1,1,0,0,0,0|1,0,0]=3 1260 B10R1.30 c1cc(c(cc1Br)C=O)O A11917 [1,1,0,0,0,0|0,0,0]=2 1261 B10R1.30 c1cc(c(cc1Br)CO)O A12344 [1,1,0,0,0,0|0,0,1]=3 1262 B10R1.30 c1cc(c(cc1Cl)C=O)Br H64330 [1,1,0,0,0,0|1,0,0]=3 1263 B10R1.30 c1cc(c(cc1Cl)C=O)Cl A13525 [1,1,0,0,0,0|1,0,0]=3 1264 B10R1.30 c1cc(c(cc1Cl)C=O)F H26187 [1,1,0,0,0,0|1,0,0]=3 1265 B10R1.30 c1cc(c(cc1Cl)C=O)N L17515 [1,1,0,0,0,0|1,0,0]=3 1266 B10R1.30 c1cc(c(cc1Cl)C=O)O A14069 [1,1,0,0,0,0|0,0,0]=2 1267 B10R1.30 c1cc(c(cc1Cl)CO)Cl L07734 [1,1,0,0,0,0|1,0,1]=4 1268 B10R1.30 c1cc(c(cc1Cl)CO)N H30531 [1,1,0,0,0,0|1,0,1]=4 1269 B10R1.30 c1cc(c(cc1Cl)CO)O H32533 [1,1,0,0,0,0|0,0,1]=3 1270 B10R1.30 c1cc(c(cc1F)C=O)Br B25071 [1,1,0,0,0,0|1,0,0]=3 1271 B10R1.30 c1cc(c(cc1F)C=O)F L08504 [1,1,0,0,0,0|1,0,0]=3 1272 B10R1.30 c1cc(c(cc1F)C=O)O 43844 [1,1,0,0,0,0|0,0,0]=2 1273 B10R1.30 c1cc(c(cc1F)C=O)O B25724 [1,1,0,0,0,0|0,0,0]=2 1274 B10R1.30 c1cc(c(cc1F)CO)Br H61596 [1,1,0,0,0,0|1,0,1]=4 1275 B10R1.30 c1cc(c(cc1F)CO)Cl B24431 [1,1,0,0,0,0|1,0,1]=4 1276 B10R1.30 c1cc(c(cc1F)CO)F A19932 [1,1,0,0,0,0|1,0,1]=4 1277 B10R1.30 c1cc(c(cc1I)C=O)F H32033 [1,1,0,0,0,0|1,0,0]=3 1278 B10R1.30 c1cc(c(cc1O)C=O)Br H64884 [1,1,0,0,0,0|1,0,0]=3 1279 B10R1.30 c1cc(c(cc1O)C=O)O A15565 [1,1,0,0,0,0|0,0,0]=2 1280 B10R1.245 C=Cc1c(cccc1Cl)Cl L07860 [1,1,0,0,0,0|2,0,0]=4 1281 B10R1.245 Cc1cccc(c1C=O)C H64503 [1,1,0,0,0,0|1,0,0]=3 1282 B10R1.245 Cc1cccc(c1C=O)Cl H26023 [1,1,0,0,0,0|1,0,0]=3 1283 B10R1.245 Cc1cccc(c1C=O)F H55228 [1,1,0,0,0,0|1,0,0]=3 1284 B10R1.245 Cc1cccc(c1CO)C H61409 [1,1,0,0,0,0|1,0,1]=4 1285 B10R1.245 c1cc(c(c(c1)Br)C=O)Cl H64605 [1,1,0,0,0,0|1,0,0]=3 1286 B10R1.245 c1cc(c(c(c1)Br)C=O)F H64689 [1,1,0,0,0,0|1,0,0]=3 1287 B10R1.245 c1cc(c(c(c1)Br)CO)F H64649 [1,1,0,0,0,0|1,0,1]=4 1288 B10R1.245 c1cc(c(c(c1)Cl)C=O)Cl A13295 [1,1,0,0,0,0|1,0,0]=3 1289 B10R1.245 c1cc(c(c(c1)Cl)C=O)F A10513 [1,1,0,0,0,0|1,0,0]=3 1290 B10R1.245 c1cc(c(c(c1)Cl)CO)Cl A12196 [1,1,0,0,0,0|1,0,1]=4 1291 B10R1.245 c1cc(c(c(c1)Cl)CO)F A11978 [1,1,0,0,0,0|1,0,1]=4 1292 B10R1.245 c1cc(c(c(c1)Cl)N=O)Cl B22830 [1,1,0,0,0,0|2,0,0]=4 1293 B10R1.245 c1cc(c(c(c1)F)C#N)O L19893 [1,1,0,0,0,0|1,0,1]=4 1294 B10R1.245 c1cc(c(c(c1)F)C=O)F A18099 [1,1,0,0,0,0|1,0,0]=3 1295 B10R1.245 c1cc(c(c(c1)F)C=O)O L19900 [1,1,0,0,0,0|0,0,0]=2 1296 B10R1.245 c1cc(c(c(c1)F)CO)F A18336 [1,1,0,0,0,0|1,0,1]=4 1297 B10R1.245 c1cnc(c(c1Cl)C=O)Cl H34053 [1,1,0,0,0,0|2,0,0]=4 1298 B10R1.245 c1cnc(c(c1I)C=O)Cl H50048 [1,1,0,0,0,0|2,0,0]=4 1299 B10R1.59 Cc1cc(c([nH]1)C)C(=O)O B20635 [0,1,0,0,1,0|2,0,0]=4 1300 B10R1.59 c1c(c(sc1Cl)Cl)C(=O)O L19101 [0,1,0,0,1,0|2,0,0]=4 1301 B10R1.149 COC(=O)c1c(ccs1)Br H63813 [0,1,0,0,1,0|2,0,0]=4 1302 B10R1.149 COC(=O)c1c(ccs1)Cl B20224 [0,1,0,0,1,0|2,0,0]=4 1303 B10R1.149 COC(=O)c1c(ccs1)N A12802 [0,1,0,0,1,0|2,0,0]=4 1304 B10R1.149 COC(=O)c1c(ccs1)O B22129 [0,1,0,0,1,0|1,0,0]=3 1305 B10R1.149 COC(=O)c1ccsc1N H55482 [0,1,0,0,1,0|2,0,0]=4 1306 B10R1.149 COC(=O)c1cscc1N 43384 [0,1,0,0,1,0|2,0,0]=4 1307 B10R1.149 Cc1c(cco1)C(=O)OC A11979 [0,1,0,0,1,0|2,0,0]=4 1308 B10R1.149 Cc1ccoc1C(=O)OC A10541 [0,1,0,0,1,0|2,0,0]=4 1309 B10R1.149 Cc1ccsc1C(=O)OC L18093 [0,1,0,0,1,0|2,0,0]=4 1310 B10R1.149 Cn1cccc1C(=O)OC A13095 [0,1,0,0,1,0|2,0,0]=4 1311 B12R1.75 CC(=O)Cc1ccccc1OC B24495 [0,1,0,0,0,1|1,0,0]=3 1312 B12R1.75 CC(=O)Oc1ccccc1OC B20242 [0,1,0,0,0,1|1,0,0]=3 1313 B12R1.75 COc1ccccc1CC(=O)O A15211 [0,1,0,0,0,1|0,0,0]=2 1314 B12R1.75 COc1ccccc1CC(=S)N H31541 [0,1,0,0,0,1|1,1,0]=4 1315 B12R1.75 COc1ccccc1NC(=S)N L11840 [0,1,0,0,0,1|1,1,0]=4 1316 B12R1.124 CC(=O)N(C)c1ccccc1Cl B25282 [0,1,0,0,0,1|2,0,0]=4 1317 B12R1.124 c1ccc(c(c1)C(C(=O)O)Br)Cl B25518 [0,1,0,0,0,1|1,0,0]=3 1318 B12R1.124 c1ccc(c(c1)C(C(=O)O)O)Cl B21525 [0,1,0,0,0,1|1,0,0]=3 1319 B12R1.124 c1ccc(c(c1)C(C(=O)O)O)F B25689 [0,1,0,0,0,1|1,0,0]=3 1320 B12R1.124 c1ccc(c(c1)[C@@H](C(=O)O)O)Cl H61152 [0,1,0,0,0,1|1,0,0]=3 1321 B12R1.124 c1ccc(c(c1)[C@H](C(=O)O)O)Cl L19586 [0,1,0,0,0,1|1,0,0]=3 1322 B12R1.127 Cc1ccc(c(c1)CC(=O)O)C L02022 [0,1,0,0,0,1|1,0,0]=3 1323 B12R1.127 Cc1ccc(c(c1)CC(=O)O)F H26482 [0,1,0,0,0,1|1,0,0]=3 1324 B12R1.127 Cc1ccc(c(c1)NC(=O)C)O B20630 [0,1,0,0,0,1|1,0,0]=3 1325 B12R1.127 Cc1ccc(cc1CC(=O)O)F H26390 [0,1,0,0,0,1|1,0,0]=3 1326 B12R1.127 c1cc(c(cc1Cl)CC(=O)O)F H26443 [0,1,0,0,0,1|1,0,0]=3 1327 B12R1.127 c1cc(c(cc1F)CC(=O)O)Br H62005 [0,1,0,0,0,1|1,0,0]=3 1328 B12R1.127 c1cc(c(cc1F)CC(=O)O)Cl H26803 [0,1,0,0,0,1|1,0,0]=3 1329 B12R1.127 c1cc(c(cc1F)CC(=O)O)F B21595 [0,1,0,0,0,1|1,0,0]=3 1330 B12R1.127 c1cc(c(cc1O)CC(=O)O)O H60742 [0,1,0,0,0,1|0,0,0]=2 1331 B12R1.151 Cc1ccccc1CP(=O)(O)O L13066 [0,1,0,0,0,1|2,0,0]=4 1332 B12R1.224 Cc1c(cccc1Cl)NC(=O)C B22562 [0,1,0,0,0,1|2,0,0]=4 1333 B12R1.224 Cc1c(cccc1F)CC(=O)O H26303 [0,1,0,0,0,1|1,0,0]=3 1334 B12R1.224 Cc1cccc(c1C)CC(=O)O H63947 [0,1,0,0,0,1|1,0,0]=3 1335 B12R1.224 c1cc(c(c(c1)Cl)Cl)CC(=O)O H32763 [0,1,0,0,0,1|1,0,0]=3 1336 B12R1.224 c1cc(c(c(c1)Cl)F)CC(=O)O H26465 [0,1,0,0,0,1|1,0,0]=3 1337 B12R1.224 c1cc(c(c(c1)F)F)CC(=O)O A16728 [0,1,0,0,0,1|1,0,0]=3 1338 B12R1.233 CC(=O)Nc1ccc(cc1Br)F B25133 [0,1,0,0,0,1|2,0,0]=4 1339 B12R1.233 CC(=O)Nc1ccc(cc1Cl)Br A18652 [0,1,0,0,0,1|2,0,0]=4 1340 B12R1.233 CC(=O)Nc1ccc(cc1Cl)Cl B21795 [0,1,0,0,0,1|2,0,0]=4 1341 B12R1.233 CC(=O)Nc1ccc(cc1Cl)F B21762 [0,1,0,0,0,1|2,0,0]=4 1342 B12R1.233 CC(=O)Nc1ccc(cc1Cl)N B25602 [0,1,0,0,0,1|2,0,0]=4 1343 B12R1.233 CC(=O)Nc1ccc(cc1F)Br A15723 [0,1,0,0,0,1|2,0,0]=4 1344 B12R1.233 CC(=O)Nc1ccc(cc1F)Cl A16940 [0,1,0,0,0,1|2,0,0]=4 1345 B12R1.233 CC(=O)Nc1ccc(cc1F)F A10490 [0,1,0,0,0,1|2,0,0]=4 1346 B12R1.233 Cc1cc(ccc1CC(=O)O)F H26365 [0,1,0,0,0,1|1,0,0]=3 1347 B12R1.233 Cc1cc(ccc1NC(=O)C)Br A18980 [0,1,0,0,0,1|2,0,0]=4 1348 B12R1.233 Cc1cc(ccc1NC(=O)C)Cl B22371 [0,1,0,0,0,1|2,0,0]=4 1349 B12R1.233 Cc1ccc(c(c1)Br)NC(=O)C B22213 [0,1,0,0,0,1|2,0,0]=4 1350 B12R1.233 Cc1ccc(c(c1)C)CC(=O)O H50284 [0,1,0,0,0,1|1,0,0]=3 1351 B12R1.233 Cc1ccc(c(c1)C)NC(=O)C H55605 [0,1,0,0,0,1|2,0,0]=4 1352 B12R1.233 Cc1ccc(c(c1)C)NC(=O)N B25668 [0,1,0,0,0,1|2,0,0]=4 1353 B12R1.233 Cc1ccc(c(c1)F)CC(=O)O H26647 [0,1,0,0,0,1|1,0,0]=3 1354 B12R1.233 Cc1ccc(c(c1)O)NC(=O)C H66423 [0,1,0,0,0,1|1,0,0]=3 1355 B12R1.233 c1cc(c(cc1Br)F)CC(=O)O H61176 [0,1,0,0,0,1|1,0,0]=3 1356 B12R1.233 c1cc(c(cc1Cl)Cl)CC(=O)O A11791 [0,1,0,0,0,1|1,0,0]=3 1357 B12R1.233 c1cc(c(cc1Cl)F)CC(=O)O H26512 [0,1,0,0,0,1|1,0,0]=3 1358 B12R1.233 c1cc(c(cc1F)Cl)CC(=O)O B22872 [0,1,0,0,0,1|1,0,0]=3 1359 B12R1.233 c1cc(c(cc1F)F)CC(=O)O B20431 [0,1,0,0,0,1|1,0,0]=3 1360 B12R1.371 Cc1ccccc1CC(=O)OC L09877 [0,1,0,0,0,1|1,0,0]=3 1361 B12R1.1009 CC(=O)Nc1c(cccc1Cl)Cl A15195 [0,1,0,0,0,1|2,0,0]=4 1362 B12R1.1009 Cc1cccc(c1NC(=O)C)C B25687 [0,1,0,0,0,1|2,0,0]=4 1363 B12R1.1009 c1cc(c(c(c1)Cl)CC(=O)O)Cl B21354 [0,1,0,0,0,1|1,0,0]=3 1364 B12R1.1009 c1cc(c(c(c1)Cl)CC(=O)O)F A10460 [0,1,0,0,0,1|1,0,0]=3 1365 B12R1.1009 c1cc(c(c(c1)F)CC(=O)O)F A18063 [0,1,0,0,0,1|1,0,0]=3 1366 B12R1.46 B(c1cc(ccc1OC)Br)(O)O H52497 [0,2,0,0,0,0|1,0,1]=4 1367 B12R1.46 B(c1cc(ccc1OC)C)(O)O H53059 [0,2,0,0,0,0|1,0,1]=4 1368 B12R1.46 B(c1cc(ccc1OC)Cl)(O)O H27127 [0,2,0,0,0,0|1,0,1]=4 1369 B12R1.46 B(c1cc(ccc1OC)F)(O)O H32748 [0,2,0,0,0,0|1,0,1]=4 1370 B12R1.46 CC(=O)c1cc(ccc1OC)F H26108 [0,2,0,0,0,0|1,0,0]=3 1371 B12R1.46 CC(c1cc(ccc1OC)F)O H32022 [0,2,0,0,0,0|1,0,1]=4 1372 B12R1.46 COc1c(cc(cn1)Br)C(=O)O H50065 [0,2,0,0,0,0|1,0,0]=3 1373 B12R1.46 COc1c(cc(cn1)F)C(=O)O H64267 [0,2,0,0,0,0|1,0,0]=3 1374 B12R1.46 COc1ccc(cc1C(=O)N)F H31588 [0,2,0,0,0,0|1,0,0]=3 1375 B12R1.46 COc1ccc(cc1C(=O)O)Cl B24974 [0,2,0,0,0,0|0,0,0]=2 1376 B12R1.46 COc1ccc(cc1C(=O)O)F H32389 [0,2,0,0,0,0|0,0,0]=2 1377 B12R1.46 COc1ccc(cc1[N+](=O)[O-])Br H64877 [0,2,0,0,0,0|1,0,1]=4 1378 B12R1.46 COc1ccc(cc1[N+](=O)[O-])Cl B24610 [0,2,0,0,0,0|1,0,1]=4 1379 B12R1.46 COc1ccc(cc1[N+](=O)[O-])F H61110 [0,2,0,0,0,0|1,0,1]=4 1380 B12R1.46 COc1ccc(cc1[N+](=O)[O-])I B25666 [0,2,0,0,0,0|1,0,1]=4 1381 B12R1.57 B(c1ccc(cc1OC)Cl)(O)O H52529 [0,2,0,0,0,0|1,0,1]=4 1382 B12R1.57 B(c1ccc(cc1OC)F)(O)O H52976 [0,2,0,0,0,0|1,0,1]=4 1383 B12R1.57 CC(=O)c1ccc(cc1OC)F L09862 [0,2,0,0,0,0|1,0,0]=3 1384 B12R1.57 COc1cc(ccc1C(=O)O)Cl B21332 [0,2,0,0,0,0|0,0,0]=2 1385 B12R1.57 COc1cc(ccc1C(=O)O)F H26179 [0,2,0,0,0,0|0,0,0]=2 1386 B12R1.57 COc1cc(ccc1C(=O)O)N H27419 [0,2,0,0,0,0|0,0,0]=2 1387 B12R1.76 COc1ccccc1S(=O)(=O)Cl H34455 [0,2,0,0,0,0|1,0,1]=4 1388 B12R1.77 CNC(=O)c1ccccc1OC H56836 [0,2,0,0,0,0|1,0,0]=3 1389 B12R1.77 CNc1ccccc1C(=O)OC B20233 [0,2,0,0,0,0|1,0,0]=3 1390 B12R1.77 COC(=O)c1ccccc1SC A10905 [0,2,0,0,0,0|0,1,0]=3 1391 B12R1.77 COc1ccccc1C(=O)CBr L07696 [0,2,0,0,0,0|1,0,0]=3 1392 B12R1.77 COc1ccccc1C(=O)NN A13619 [0,2,0,0,0,0|1,0,0]=3 1393 B12R1.77 COc1ccccc1C(=O)OC A17703 [0,2,0,0,0,0|0,0,0]=2 1394 B12R1.87 CC(=O)c1cccc(c1OC)F H31909 [0,2,0,0,0,0|1,0,0]=3 1395 B12R1.87 COc1c(cccc1F)C(=O)Cl H32951 [0,2,0,0,0,0|1,0,0]=3 1396 B12R1.87 COc1c(cccc1F)C(=O)N H31949 [0,2,0,0,0,0|1,0,0]=3 1397 B12R1.87 COc1c(cccc1F)C(=O)O H26164 [0,2,0,0,0,0|0,0,0]=2 1398 B12R1.261 B(c1ccccc1C(=O)C)(O)O H27327 [0,2,0,0,0,0|1,0,0]=3 1399 B12R1.261 B(c1ccccc1C(=O)N)(O)O H52642 [0,2,0,0,0,0|1,0,0]=3 1400 B12R1.261 B(c1ccccc1C(=O)O)(O)O L16301 [0,2,0,0,0,0|0,0,0]=2 1401 B12R1.261 B(c1ccccc1S(=O)C)(O)O H53209 [0,2,0,0,0,0|2,0,0]=4 1402 B12R1.261 B(c1ccccc1[N+](=O)[O-])(O)O L17988 [0,2,0,0,0,0|1,0,1]=4 1403 B12R1.261 CC(=O)c1ccccc1C(=O)O A10216 [0,2,0,0,0,0|0,0,1]=3 1404 B12R1.261 CC(=O)c1ccccc1[N+](=O)[O-] A13208 [0,2,0,0,0,0|1,0,1]=4 1405 B12R1.261 CN(C)c1ccccc1C(=O)O A12967 [0,2,0,0,0,0|1,0,0]=3 1406 B12R1.261 CS(=O)c1ccccc1C(=O)O H27144 [0,2,0,0,0,0|0,0,1]=3 1407 B12R1.261 c1cc(c(nc1)C(=O)O)C(=O)O A11414 [0,2,0,0,0,0|1,0,0]=3 1408 B12R1.261 c1ccc(c(c1)C(=O)Cl)C(=O)Cl L08753 [0,2,0,0,0,0|1,0,1]=4 1409 B12R1.261 c1ccc(c(c1)C(=O)N)C(=O)N L08600 [0,2,0,0,0,0|1,0,1]=4 1410 B12R1.261 c1ccc(c(c1)C(=O)N)C(=O)O L12432 [0,2,0,0,0,0|0,0,1]=3 1411 B12R1.261 c1ccc(c(c1)C(=O)N)[N+](=O)[O-] A14084 [0,2,0,0,0,0|1,0,1]=4 1412 B12R1.261 c1ccc(c(c1)C(=O)O)C(=O)O 41770 [0,2,0,0,0,0|0,0,0]=2 1413 B12R1.261 c1ccc(c(c1)C(=O)O)C(=O)O A14450 [0,2,0,0,0,0|0,0,0]=2 1414 B12R1.261 c1ccc(c(c1)C(=O)O)C(=O)[O-] 41360 [0,2,0,0,0,0|0,0,1]=3 1415 B12R1.261 c1ccc(c(c1)C(=O)O)C(=O)[O-] A12895 [0,2,0,0,0,0|0,0,1]=3 1416 B12R1.261 c1ccc(c(c1)C(=O)O)[N+](=O)[O-] A10393 [0,2,0,0,0,0|0,0,1]=3 1417 B12R1.261 c1cnc(c(n1)C(=O)O)C(=O)O B22108 [0,2,0,0,0,0|2,0,0]=4 1418 B12R1.261 c1cncc(c1C(=O)O)C(=O)O A14580 [0,2,0,0,0,0|1,0,0]=3 1419 B12R1.261 c1cncc(c1C(=O)O)[N+](=O)[O-] H34293 [0,2,0,0,0,0|1,0,1]=4 1420 B12R1.283 B(c1ccccc1COC)(O)O H52858 [0,2,0,0,0,0|1,0,1]=4 1421 B12R1.283 B(c1ccccc1OCC)(O)O B23644 [0,2,0,0,0,0|1,0,1]=4 1422 B12R1.283 CCOc1c(cccn1)C(=O)O B20887 [0,2,0,0,0,0|1,0,0]=3 1423 B12R1.283 CCOc1ccccc1C(=O)C B20113 [0,2,0,0,0,0|1,0,0]=3 1424 B12R1.283 CCOc1ccccc1C(=O)Cl L17686 [0,2,0,0,0,0|1,0,0]=3 1425 B12R1.283 CCOc1ccccc1C(=O)N B25455 [0,2,0,0,0,0|1,0,0]=3 1426 B12R1.283 CCOc1ccccc1C(=O)O A14758 [0,2,0,0,0,0|0,0,0]=2 1427 B12R1.283 CCOc1ccccc1C(=S)N H33353 [0,2,0,0,0,0|1,1,0]=4 1428 B12R1.283 CCSc1c(cccn1)C(=O)O L07801 [0,2,0,0,0,0|1,1,0]=4 1429 B12R1.283 c1ccc(c(c1)\C=N\O)[N+](=O)[O-] A14565 [0,2,0,0,0,0|1,0,1]=4 1430 B12R1.437 B(c1c(cccc1F)OC)(O)O H26064 [0,2,0,0,0,0|1,0,1]=4 1431 B12R1.437 CC(=O)c1c(cccc1F)OC H26085 [0,2,0,0,0,0|1,0,0]=3 1432 B12R1.437 CC(=O)c1c(cccc1OC)O A18539 [0,2,0,0,0,0|1,0,0]=3 1433 B12R1.437 COc1cccc(c1C(=O)Cl)F H26137 [0,2,0,0,0,0|1,0,0]=3 1434 B12R1.437 COc1cccc(c1C(=O)N)F H32774 [0,2,0,0,0,0|1,0,0]=3 1435 B12R1.437 COc1cccc(c1C(=O)O)Br H31604 [0,2,0,0,0,0|0,0,0]=2 1436 B12R1.437 COc1cccc(c1C(=O)O)F H26060 [0,2,0,0,0,0|0,0,0]=2 1437 B12R1.437 COc1cccc(c1C(=O)O)N H34128 [0,2,0,0,0,0|0,0,0]=2 1438 B12R1.437 COc1cccc(c1C(=O)O)O H60397 [0,2,0,0,0,0|0,0,0]=2 1439 B12R1.437 Cc1cccc(c1[N+](=O)[O-])OC A18890 [0,2,0,0,0,0|1,0,1]=4 1440 B12R1.128 Cc1ccc(c(c1)S(=O)(=O)O)C A15007 [0,2,0,0,0,0|2,0,0]=4 1441 B12R1.128 Cc1ccc(c(c1)S(=O)(=O)O)N B24560 [0,2,0,0,0,0|2,0,0]=4 1442 B12R1.128 Cc1ccc(cc1S(=O)(=O)O)N A16599 [0,2,0,0,0,0|2,0,0]=4 1443 B12R1.128 c1cc(c(cc1Cl)S(=O)(=O)O)Cl B25650 [0,2,0,0,0,0|2,0,0]=4 1444 B12R1.128 c1cc(c(cc1Cl)S(=O)(=O)O)N B25738 [0,2,0,0,0,0|2,0,0]=4 1445 B12R1.128 c1cc(c(cc1N)S(=O)(=O)O)N H31999 [0,2,0,0,0,0|2,0,0]=4 1446 B12R1.128 c1cc(c(cc1O)S(=O)(=O)[O-])O L08406 [0,2,0,0,0,0|1,0,1]=4 1447 B12R1.195 COS(=O)(=O)c1ccccc1Br H60727 [0,2,0,0,0,0|2,0,0]=4 1448 B12R1.894 CC(=O)c1c(ccc(c1Cl)Cl)F H32663 [0,2,0,0,0,0|2,0,0]=4 1449 B12R1.894 CC(=O)c1c(ccc(c1Cl)F)Cl H26638 [0,2,0,0,0,0|2,0,0]=4 1450 B12R1.894 CC(=O)c1c(ccc(c1F)Cl)Cl H32149 [0,2,0,0,0,0|2,0,0]=4 1451 B12R1.894 CC(=O)c1c(ccc(c1F)Cl)F B24445 [0,2,0,0,0,0|2,0,0]=4 1452 B12R1.894 CC(=O)c1c(ccc(c1F)F)Cl H33516 [0,2,0,0,0,0|2,0,0]=4 1453 B12R1.894 CC(=O)c1c(ccc(c1F)F)F B20828 [0,2,0,0,0,0|2,0,0]=4 1454 B12R1.894 Cc1ccc(c(c1Cl)C(=O)C)F B24003 [0,2,0,0,0,0|2,0,0]=4 1455 B12R1.894 Cc1ccc(c(c1Cl)C(=O)Cl)F B24028 [0,2,0,0,0,0|2,0,0]=4 1456 B12R1.894 Cc1ccc(c(c1Cl)C(=O)N)F B23020 [0,2,0,0,0,0|2,0,0]=4 1457 B12R1.894 Cc1ccc(c(c1Cl)C(=O)O)F B23281 [0,2,0,0,0,0|1,0,0]=3 1458 B12R1.894 Cc1ccc(c(c1F)C(=O)C)Cl B23296 [0,2,0,0,0,0|2,0,0]=4 1459 B12R1.894 Cc1ccc(c(c1F)C(=O)C)F H26245 [0,2,0,0,0,0|2,0,0]=4 1460 B12R1.894 Cc1ccc(c(c1F)C(=O)Cl)Cl B23374 [0,2,0,0,0,0|2,0,0]=4 1461 B12R1.894 Cc1ccc(c(c1F)C(=O)Cl)F L18159 [0,2,0,0,0,0|2,0,0]=4 1462 B12R1.894 Cc1ccc(c(c1F)C(=O)N)Cl B23278 [0,2,0,0,0,0|2,0,0]=4 1463 B12R1.894 Cc1ccc(c(c1F)C(=O)O)Cl B23095 [0,2,0,0,0,0|1,0,0]=3 1464 B12R1.894 Cc1ccc(c(c1F)C(=O)O)F B23525 [0,2,0,0,0,0|1,0,0]=3 1465 B12R1.894 c1c(c(c(c(n1)Br)Cl)C(=O)O)Cl H63739 [0,2,0,0,0,0|2,0,0]=4 1466 B12R1.894 c1c(c(c(c(n1)Cl)Cl)C(=O)O)Cl H63588 [0,2,0,0,0,0|2,0,0]=4 1467 B12R1.894 c1c(c(c(c(n1)F)F)C(=O)O)F L20050 [0,2,0,0,0,0|2,0,0]=4 1468 B12R1.894 c1cc(c(c(c1Cl)C(=O)Cl)F)Cl H32887 [0,2,0,0,0,0|2,0,0]=4 1469 B12R1.894 c1cc(c(c(c1Cl)C(=O)N)F)Cl H32277 [0,2,0,0,0,0|2,0,0]=4 1470 B12R1.894 c1cc(c(c(c1Cl)C(=O)O)F)Cl H32666 [0,2,0,0,0,0|1,0,0]=3 1471 B12R1.894 c1cc(c(c(c1Cl)C(=O)O)N)Cl L12850 [0,2,0,0,0,0|1,0,0]=3 1472 B12R1.894 c1cc(c(c(c1F)C(=O)Cl)Cl)F L18169 [0,2,0,0,0,0|2,0,0]=4 1473 B12R1.894 c1cc(c(c(c1F)C(=O)Cl)F)Cl L18244 [0,2,0,0,0,0|2,0,0]=4 1474 B12R1.894 c1cc(c(c(c1F)C(=O)Cl)F)F B20321 [0,2,0,0,0,0|2,0,0]=4 1475 B12R1.894 c1cc(c(c(c1F)C(=O)N)Cl)F B24510 [0,2,0,0,0,0|2,0,0]=4 1476 B12R1.894 c1cc(c(c(c1F)C(=O)N)F)Cl B24065 [0,2,0,0,0,0|2,0,0]=4 1477 B12R1.894 c1cc(c(c(c1F)C(=O)N)F)F L13043 [0,2,0,0,0,0|2,0,0]=4 1478 B12R1.894 c1cc(c(c(c1F)C(=O)O)Cl)Cl H26286 [0,2,0,0,0,0|1,0,0]=3 1479 B12R1.894 c1cc(c(c(c1F)C(=O)O)Cl)F B24105 [0,2,0,0,0,0|1,0,0]=3 1480 B12R1.894 c1cc(c(c(c1F)C(=O)O)F)Cl B23893 [0,2,0,0,0,0|1,0,0]=3 1481 B12R1.894 c1cc(c(c(c1F)C(=O)O)F)F B20666 [0,2,0,0,0,0|1,0,0]=3 1482 B12R1.894 c1cc(c(c(c1F)C(=O)O)O)F H32209 [0,2,0,0,0,0|0,0,0]=2 1483 B12R1.894 c1cc(c(c(c1F)F)C(=O)Cl)Cl H33875 [0,2,0,0,0,0|2,0,0]=4 1484 B12R1.894 c1cc(c(c(c1F)F)C(=O)N)Cl H33016 [0,2,0,0,0,0|2,0,0]=4 1485 B12R1.894 c1cc(c(c(c1F)F)C(=O)O)Cl H33595 [0,2,0,0,0,0|1,0,0]=3 1486 B12R1.894 c1cc(c(c(c1N)F)C(=O)O)F H66645 [0,2,0,0,0,0|1,0,0]=3 1487 B12R1.894 c1cc(c(c(c1O)C(=O)O)F)F H31634 [0,2,0,0,0,0|0,0,0]=2 1488 B12R1.1000 CC(=O)c1c(cc(cc1F)Cl)F H32711 [0,2,0,0,0,0|2,0,0]=4 1489 B12R1.1000 CC(=O)c1c(cc(cc1F)F)F H26198 [0,2,0,0,0,0|2,0,0]=4 1490 B12R1.1000 CC(=O)c1c(cc(cc1O)O)O L04156 [0,2,0,0,0,0|1,0,0]=3 1491 B12R1.1000 Cc1cc(c(c(c1)C)C(=O)C)C A11549 [0,2,0,0,0,0|2,0,0]=4 1492 B12R1.1000 Cc1cc(c(c(c1)C)C(=O)Cl)C A14407 [0,2,0,0,0,0|2,0,0]=4 1493 B12R1.1000 Cc1cc(c(c(c1)C)C(=O)O)C A11831 [0,2,0,0,0,0|1,0,0]=3 1494 B12R1.1000 Cc1cc(cc(c1C(=O)O)O)O H27556 [0,2,0,0,0,0|0,0,0]=2 1495 B12R1.1000 Cc1cc(nc(c1C(=O)O)Cl)Cl H52347 [0,2,0,0,0,0|2,0,0]=4 1496 B12R1.1000 c1c(cc(c(c1Cl)C(=O)Cl)Cl)Cl L14159 [0,2,0,0,0,0|2,0,0]=4 1497 B12R1.1000 c1c(cc(c(c1Cl)C(=O)O)Cl)Cl L14191 [0,2,0,0,0,0|1,0,0]=3 1498 B12R1.1000 c1c(cc(c(c1F)C(=O)Cl)F)F B20323 [0,2,0,0,0,0|2,0,0]=4 1499 B12R1.1000 c1c(cc(c(c1F)C(=O)N)F)Br H52327 [0,2,0,0,0,0|2,0,0]=4 1500 B12R1.1000 c1c(cc(c(c1F)C(=O)O)F)Br H26090 [0,2,0,0,0,0|1,0,0]=3 1501 B12R1.1000 c1c(cc(c(c1F)C(=O)O)F)Cl H26556 [0,2,0,0,0,0|1,0,0]=3 1502 B12R1.1000 c1c(cc(c(c1F)C(=O)O)F)F A19758 [0,2,0,0,0,0|1,0,0]=3 1503 B12R1.1000 c1c(cc(c(c1F)C(=O)O)F)O H26134 [0,2,0,0,0,0|1,0,0]=3 1504 B12R1.1000 c1c(cc(c(c1O)C(=O)O)O)O B22768 [0,2,0,0,0,0|0,0,0]=2 1505 B12R1.1000 c1c(cc(c(c1O)[N+](=O)[O-])O)O A13694 [0,2,0,0,0,0|1,0,1]=4 1506 B12R1.3441 CCC(=O)c1c(cccc1F)F B20097 [0,2,0,0,0,0|2,0,0]=4 1507 B12R1.3441 COC(=O)c1c(cccc1F)F L08063 [0,2,0,0,0,0|1,0,0]=3 1508 B12R1.3441 COC(=O)c1c(ccnc1Cl)I H57319 [0,2,0,0,0,0|2,0,0]=4 1509 B12R1.24 CCC(=O)c1cccc(c1F)F B20032 [0,2,0,0,0,0|2,0,0]=4 1510 B12R1.24 COC(=O)c1cccc(c1F)Br H36865 [0,2,0,0,0,0|1,0,0]=3 1511 B12R1.24 COC(=O)c1cccc(c1O)N H33035 [0,2,0,0,0,0|0,0,0]=2 1512 B12R1.24 Cc1c(cccc1N)C(=O)OC H55579 [0,2,0,0,0,0|1,0,0]=3 1513 B12R1.24 Cc1cccc(c1Br)C(=O)OC H61831 [0,2,0,0,0,0|1,0,0]=3 1514 B12R1.24 Cc1cccc(c1N)C(=O)OC H61448 [0,2,0,0,0,0|1,0,0]=3 1515 B12R1.24 Cc1cccc(c1O)C(=O)NN L08980 [0,2,0,0,0,0|1,0,0]=3 1516 B12R1.24 Cc1cccc(c1O)C(=O)OC B21341 [0,2,0,0,0,0|0,0,0]=2 1517 B12R1.440 COc1c(c(ccn1)C(=O)O)N H66289 [0,2,0,0,0,0|2,0,0]=4 1518 B12R1.440 COc1cccc(c1O)C(=O)O L01658 [0,2,0,0,0,0|0,0,0]=2 1519 B12R1.440 Cc1c(cccc1OC)C(=O)O L18729 [0,2,0,0,0,0|1,0,0]=3 1520 B12R1.440 c1cc(c(c(c1)[N+](=O)[O-])O)C=O B23658 [0,2,0,0,0,0|1,0,1]=4 1521 B12R1.511 CC(=O)c1cc(cc(c1F)F)F H26828 [0,2,0,0,0,0|2,0,0]=4 1522 B12R1.511 CC(=O)c1cc(cc(c1O)Br)Br B22413 [0,2,0,0,0,0|1,0,0]=3 1523 B12R1.511 CC(=O)c1cc(cc(c1O)Cl)Cl L10006 [0,2,0,0,0,0|1,0,0]=3 1524 B12R1.511 CC(=O)c1cc(cc(c1O)F)F H32624 [0,2,0,0,0,0|1,0,0]=3 1525 B12R1.511 Cc1c(cc(cc1F)F)C(=O)N H33022 [0,2,0,0,0,0|2,0,0]=4 1526 B12R1.511 Cc1c(cc(cc1F)F)C(=O)O H31616 [0,2,0,0,0,0|1,0,0]=3 1527 B12R1.511 Cc1cc(c(c(c1)Br)N)C(=O)O A15443 [0,2,0,0,0,0|1,0,0]=3 1528 B12R1.511 Cc1cc(c(c(c1)C(=O)O)N)C L07003 [0,2,0,0,0,0|1,0,0]=3 1529 B12R1.511 Cc1cc(c(c(c1)[N+](=O)[O-])O)C B25205 [0,2,0,0,0,0|1,0,1]=4 1530 B12R1.511 Cc1cc(cc(c1Cl)C(=O)O)F H63165 [0,2,0,0,0,0|1,0,0]=3 1531 B12R1.511 c1c(c(c(nc1F)F)F)C(=O)O L20051 [0,2,0,0,0,0|2,0,0]=4 1532 B12R1.511 c1c(cc(c(c1C(=O)O)F)F)F H26376 [0,2,0,0,0,0|1,0,0]=3 1533 B12R1.511 c1c(cc(c(c1C(=O)O)F)F)O H32405 [0,2,0,0,0,0|1,0,0]=3 1534 B12R1.511 c1c(cc(c(c1C(=O)O)I)I)I L02679 [0,2,0,0,0,0|1,0,0]=3 1535 B12R1.511 c1c(cc(c(c1C(=O)O)N)Br)Br L07419 [0,2,0,0,0,0|1,0,0]=3 1536 B12R1.511 c1c(cc(c(c1C(=O)O)N)Br)F H66628 [0,2,0,0,0,0|1,0,0]=3 1537 B12R1.511 c1c(cc(c(c1C(=O)O)N)Cl)Cl A16969 [0,2,0,0,0,0|1,0,0]=3 1538 B12R1.511 c1c(cc(c(c1C(=O)O)N)I)I A15308 [0,2,0,0,0,0|1,0,0]=3 1539 B12R1.511 c1c(cc(c(c1C(=O)O)O)Br)Br B25642 [0,2,0,0,0,0|0,0,0]=2 1540 B12R1.511 c1c(cc(c(c1C(=O)O)O)Cl)Cl B23641 [0,2,0,0,0,0|0,0,0]=2 1541 B12R1.511 c1c(cc(c(c1C(=O)O)O)F)F H32940 [0,2,0,0,0,0|0,0,0]=2 1542 B12R1.511 c1c(cc(c(c1C(=O)O)O)I)I A19786 [0,2,0,0,0,0|0,0,0]=2 1543 B12R1.511 c1c(cc(c(c1C(=O)[O-])O)I)I A15784 [0,2,0,0,0,0|0,0,1]=3 1544 B12R1.511 c1c(cc(c(c1N)O)[N+](=O)[O-])Cl H66009 [0,2,0,0,0,0|1,0,1]=4 1545 B12R1.511 c1c(cc(c(c1[N+](=O)[O-])O)Cl)Cl H64524 [0,2,0,0,0,0|1,0,1]=4 1546 B12R1.511 c1c(cc(c(c1[N+](=O)[O-])O)F)Br H32153 [0,2,0,0,0,0|1,0,1]=4 1547 B12R1.893 CC(=O)c1ccc(c(c1Cl)Cl)Cl A13790 [0,2,0,0,0,0|2,0,0]=4 1548 B12R1.893 CC(=O)c1ccc(c(c1F)F)F H26541 [0,2,0,0,0,0|2,0,0]=4 1549 B12R1.893 CC(=O)c1ccc(c(c1O)O)O A14364 [0,2,0,0,0,0|1,0,0]=3 1550 B12R1.893 Cc1c(ccc(c1Cl)C(=O)O)F H51879 [0,2,0,0,0,0|1,0,0]=3 1551 B12R1.893 Cc1c(ccc(c1F)C(=O)Cl)F H31658 [0,2,0,0,0,0|2,0,0]=4 1552 B12R1.893 Cc1c(ccc(c1F)F)C(=O)O H32326 [0,2,0,0,0,0|1,0,0]=3 1553 B12R1.893 Cc1c(ccc(c1O)C(=O)C)O B20272 [0,2,0,0,0,0|1,0,0]=3 1554 B12R1.893 Cc1ccc(c(c1C)N)C(=O)O B25313 [0,2,0,0,0,0|1,0,0]=3 1555 B12R1.893 Cc1ccc(c(c1F)F)C(=O)C H26388 [0,2,0,0,0,0|2,0,0]=4 1556 B12R1.893 Cc1ccc(c(c1F)F)C(=O)Cl L18170 [0,2,0,0,0,0|2,0,0]=4 1557 B12R1.893 Cc1ccc(c(c1F)F)C(=O)N B24254 [0,2,0,0,0,0|2,0,0]=4 1558 B12R1.893 Cc1ccc(c(c1F)F)C(=O)O B22949 [0,2,0,0,0,0|1,0,0]=3 1559 B12R1.893 c1cc(c(c(c1C(=O)Cl)F)Cl)F L18183 [0,2,0,0,0,0|2,0,0]=4 1560 B12R1.893 c1cc(c(c(c1C(=O)Cl)F)F)F B23484 [0,2,0,0,0,0|2,0,0]=4 1561 B12R1.893 c1cc(c(c(c1C(=O)N)F)F)F L11304 [0,2,0,0,0,0|2,0,0]=4 1562 B12R1.893 c1cc(c(c(c1C(=O)O)F)Cl)F B24127 [0,2,0,0,0,0|1,0,0]=3 1563 B12R1.893 c1cc(c(c(c1C(=O)O)F)F)Cl H63623 [0,2,0,0,0,0|1,0,0]=3 1564 B12R1.893 c1cc(c(c(c1C(=O)O)F)F)F B20696 [0,2,0,0,0,0|1,0,0]=3 1565 B12R1.893 c1cc(c(c(c1C(=O)O)F)F)O H26087 [0,2,0,0,0,0|1,0,0]=3 1566 B12R1.893 c1cc(c(c(c1C(=O)O)O)F)F H26088 [0,2,0,0,0,0|0,0,0]=2 1567 B12R1.893 c1cc(c(c(c1C(=O)O)O)O)O B20371 [0,2,0,0,0,0|0,0,0]=2 1568 B12R1.893 c1cc(c(c(c1[N+](=O)[O-])O)F)F B22965 [0,2,0,0,0,0|1,0,1]=4 1569 B12R1.232 CC(=O)c1cc(c(cc1Cl)Cl)F B22153 [0,2,0,0,0,0|2,0,0]=4 1570 B12R1.232 CC(=O)c1cc(c(cc1Cl)F)F H31961 [0,2,0,0,0,0|2,0,0]=4 1571 B12R1.232 CC(=O)c1cc(c(cc1F)Br)F H59035 [0,2,0,0,0,0|2,0,0]=4 1572 B12R1.232 CC(=O)c1cc(c(cc1F)F)F H26205 [0,2,0,0,0,0|2,0,0]=4 1573 B12R1.232 Cc1cc(c(cc1Br)O)C(=O)C H29125 [0,2,0,0,0,0|1,0,0]=3 1574 B12R1.232 Cc1cc(c(cc1C(=O)O)F)F H26141 [0,2,0,0,0,0|1,0,0]=3 1575 B12R1.232 Cc1cc(c(cc1C)C(=O)C)C A10614 [0,2,0,0,0,0|2,0,0]=4 1576 B12R1.232 Cc1cc(c(cc1C)O)C(=O)C H50685 [0,2,0,0,0,0|1,0,0]=3 1577 B12R1.232 Cc1cc(c(cc1F)C(=O)O)F H63652 [0,2,0,0,0,0|1,0,0]=3 1578 B12R1.232 Cc1cc(c(cc1F)F)C(=O)O H31770 [0,2,0,0,0,0|1,0,0]=3 1579 B12R1.232 c1c(c(cc(c1Br)O)O)C(=O)O A18230 [0,2,0,0,0,0|0,0,0]=2 1580 B12R1.232 c1c(c(cc(c1F)Br)Cl)C(=O)O H63965 [0,2,0,0,0,0|1,0,0]=3 1581 B12R1.232 c1c(c(cc(c1F)Cl)Cl)C(=O)Cl B23514 [0,2,0,0,0,0|2,0,0]=4 1582 B12R1.232 c1c(c(cc(c1F)Cl)Cl)C(=O)N B24401 [0,2,0,0,0,0|2,0,0]=4 1583 B12R1.232 c1c(c(cc(c1F)Cl)Cl)C(=O)O B22064 [0,2,0,0,0,0|1,0,0]=3 1584 B12R1.232 c1c(c(cc(c1F)Cl)F)C(=O)O H55521 [0,2,0,0,0,0|1,0,0]=3 1585 B12R1.232 c1c(c(cc(c1F)F)Br)C(=O)O H60418 [0,2,0,0,0,0|1,0,0]=3 1586 B12R1.232 c1c(c(cc(c1F)F)Cl)C(=O)O B24174 [0,2,0,0,0,0|1,0,0]=3 1587 B12R1.232 c1c(c(cc(c1F)F)F)C(=O)Cl A18603 [0,2,0,0,0,0|2,0,0]=4 1588 B12R1.232 c1c(c(cc(c1F)F)F)C(=O)O A14193 [0,2,0,0,0,0|1,0,0]=3 1589 B12R1.232 c1c(c(cc(c1F)F)I)C(=O)O H61798 [0,2,0,0,0,0|1,0,0]=3 1590 B12R1.232 c1c(c(cc(c1F)F)N)C(=O)O L19950 [0,2,0,0,0,0|1,0,0]=3 1591 B12R1.232 c1c(c(cc(c1I)F)F)C(=O)O H33673 [0,2,0,0,0,0|1,0,0]=3 1592 B12R1.232 c1c(c(cc(c1N)F)F)C(=O)O H31845 [0,2,0,0,0,0|1,0,0]=3 1593 B12R1.232 c1c(c(nc(c1F)Cl)Cl)C(=O)O L19454 [0,2,0,0,0,0|2,0,0]=4 1594 B12R1.452 CC(=O)c1ccc(cc1F)OC A16891 [0,2,0,0,0,0|2,0,0]=4 1595 B12R1.452 CC(=O)c1ccc(cc1O)OC B22173 [0,2,0,0,0,0|1,0,0]=3 1596 B12R1.452 COc1ccc(c(c1)Cl)C(=O)O H32014 [0,2,0,0,0,0|1,0,0]=3 1597 B12R1.452 COc1ccc(c(c1)F)C(=O)Cl H31644 [0,2,0,0,0,0|2,0,0]=4 1598 B12R1.452 COc1ccc(c(c1)F)C(=O)N H31636 [0,2,0,0,0,0|2,0,0]=4 1599 B12R1.452 COc1ccc(c(c1)F)C(=O)O H26426 [0,2,0,0,0,0|1,0,0]=3 1600 B12R1.452 COc1ccc(c(c1)N)C(=O)O H32319 [0,2,0,0,0,0|1,0,0]=3 1601 B12R1.452 COc1ccc(c(c1)O)C(=O)O H55345 [0,2,0,0,0,0|0,0,0]=2 1602 B12R1.452 COc1ccc(c(n1)Cl)C(=O)O H34001 [0,2,0,0,0,0|2,0,0]=4 1603 B12R1.452 Cc1cc(ccc1C(=O)O)OC H27096 [0,2,0,0,0,0|1,0,0]=3 1604 B12R1.452 c1cc(c(cc1C#N)F)C(=O)O L19722 [0,2,0,0,0,0|1,0,0]=3 1605 B12R1.1703 CCC(=O)c1ccc(cc1Cl)Cl A11252 [0,2,0,0,0,0|2,0,0]=4 1606 B12R1.1703 CCC(=O)c1ccc(cc1F)F A12032 [0,2,0,0,0,0|2,0,0]=4 1607 B12R1.1703 CCC(=O)c1ccc(cc1O)O B23414 [0,2,0,0,0,0|1,0,0]=3 1608 B12R1.1703 COC(=O)c1ccc(cc1Cl)Cl B20583 [0,2,0,0,0,0|1,0,0]=3 1609 B12R1.1703 COC(=O)c1ccc(cc1Cl)F A18342 [0,2,0,0,0,0|1,0,0]=3 1610 B12R1.1703 COC(=O)c1ccc(cc1F)F H32161 [0,2,0,0,0,0|1,0,0]=3 1611 B12R1.1703 COC(=O)c1ccc(cc1F)O H61675 [0,2,0,0,0,0|1,0,0]=3 1612 B12R1.1703 COC(=O)c1ccc(cc1N)Cl L11125 [0,2,0,0,0,0|1,0,0]=3 1613 B12R1.1703 COC(=O)c1ccc(cc1N)F H61749 [0,2,0,0,0,0|1,0,0]=3 1614 B12R1.1703 COC(=O)c1ccc(cc1O)F L17846 [0,2,0,0,0,0|0,0,0]=2 1615 B12R1.1703 COC(=O)c1ccc(cc1O)I B25438 [0,2,0,0,0,0|0,0,0]=2 1616 B12R1.1703 COC(=O)c1ccc(cc1O)N 45520 [0,2,0,0,0,0|0,0,0]=2 1617 B12R1.1703 COC(=O)c1ccc(cc1O)O B24757 [0,2,0,0,0,0|0,0,0]=2 1618 B12R1.1703 COC(=O)c1ccc(nc1Cl)Cl H51092 [0,2,0,0,0,0|2,0,0]=4 1619 B12R1.1703 COC(=O)c1cnc(cc1Cl)Cl H64077 [0,2,0,0,0,0|2,0,0]=4 1620 B12R1.1703 Cc1cc(ccc1C(=O)OC)F H63268 [0,2,0,0,0,0|1,0,0]=3 1621 B12R1.1703 Cc1cc(cnc1C(=O)OC)Br H64151 [0,2,0,0,0,0|2,0,0]=4 1622 B12R1.1703 Cc1ccc(c(c1)Br)C(=O)OC H63144 [0,2,0,0,0,0|1,0,0]=3 1623 B12R1.1703 Cc1ccc(c(c1)O)C(=O)OC H64793 [0,2,0,0,0,0|0,0,0]=2 1624 B12R1.1703 Cc1ccc(c(n1)O)\C(=N\O)\N H51796 [0,2,0,0,0,0|2,0,0]=4 1625 B12R1.1703 c1cc(c(cc1Cl)Cl)C(=O)CBr H59615 [0,2,0,0,0,0|2,0,0]=4 1626 B12R1.1703 c1cc(c(cc1Cl)Cl)C(=O)CCl A10835 [0,2,0,0,0,0|2,0,0]=4 1627 B12R1.1703 c1cc(c(cc1Cl)Cl)C(=O)NN A12803 [0,2,0,0,0,0|2,0,0]=4 1628 B12R1.1703 c1cc(c(cc1Cl)Cl)\C(=N\O)\N H50674 [0,2,0,0,0,0|2,0,0]=4 1629 B12R1.1703 c1cc(c(cc1F)F)C(=O)C=O L20266 [0,2,0,0,0,0|1,0,1]=4 1630 B12R1.1703 c1cc(c(cc1F)F)C(=O)CBr H56442 [0,2,0,0,0,0|2,0,0]=4 1631 B12R1.1703 c1cc(c(cc1F)F)C(=O)CCl B22487 [0,2,0,0,0,0|2,0,0]=4 1632 B12R1.1703 c1cc(c(cc1F)F)\C(=N\O)\N H50664 [0,2,0,0,0,0|2,0,0]=4 1633 B12R1.1703 c1cc(c(cc1O)O)C(=O)NN L09918 [0,2,0,0,0,0|1,0,0]=3 1634 B12R1.354 CCC(=O)c1cc(ccc1F)F B20801 [0,2,0,0,0,0|2,0,0]=4 1635 B12R1.354 CCC(=O)c1cc(ccc1O)O A12912 [0,2,0,0,0,0|1,0,0]=3 1636 B12R1.354 CNC(=O)c1cc(ccc1F)F H61923 [0,2,0,0,0,0|2,0,0]=4 1637 B12R1.354 COC(=O)c1cc(ccc1Br)Br A18982 [0,2,0,0,0,0|1,0,0]=3 1638 B12R1.354 COC(=O)c1cc(ccc1Br)Cl B25309 [0,2,0,0,0,0|1,0,0]=3 1639 B12R1.354 COC(=O)c1cc(ccc1Cl)Cl B22489 [0,2,0,0,0,0|1,0,0]=3 1640 B12R1.354 COC(=O)c1cc(ccc1N)Br A16666 [0,2,0,0,0,0|1,0,0]=3 1641 B12R1.354 COC(=O)c1cc(ccc1N)Cl L20187 [0,2,0,0,0,0|1,0,0]=3 1642 B12R1.354 COC(=O)c1cc(ccc1N)F L19778 [0,2,0,0,0,0|1,0,0]=3 1643 B12R1.354 COC(=O)c1cc(ccc1O)Br H64372 [0,2,0,0,0,0|0,0,0]=2 1644 B12R1.354 COC(=O)c1cc(ccc1O)Cl A19971 [0,2,0,0,0,0|0,0,0]=2 1645 B12R1.354 COC(=O)c1cc(ccc1O)I B22048 [0,2,0,0,0,0|0,0,0]=2 1646 B12R1.354 COC(=O)c1cc(ccc1O)O A10407 [0,2,0,0,0,0|0,0,0]=2 1647 B12R1.354 COC(=O)c1cc(ccc1[Zn+])Cl H58696 [0,2,0,0,0,0|1,0,0]=3 1648 B12R1.354 COC(=O)c1cc(cnc1Cl)Br H64791 [0,2,0,0,0,0|2,0,0]=4 1649 B12R1.354 Cc1ccc(c(c1)C(=O)OC)I H33853 [0,2,0,0,0,0|1,0,0]=3 1650 B12R1.354 Cc1ccc(cc1C(=O)OC)Br H61861 [0,2,0,0,0,0|1,0,0]=3 1651 B12R1.354 Cc1ccc(cc1C(=O)OC)N H61671 [0,2,0,0,0,0|1,0,0]=3 1652 B12R1.354 c1cc(c(cc1Cl)C(=O)NN)Cl A14778 [0,2,0,0,0,0|2,0,0]=4 1653 B12R1.453 B(c1cc(ccc1O)C#N)(O)O H61915 [0,2,0,0,0,0|1,0,1]=4 1654 B12R1.453 CC(=O)c1cc(ccc1O)OC A19216 [0,2,0,0,0,0|1,0,0]=3 1655 B12R1.453 COc1ccc(c(c1)C(=O)Cl)Br A19164 [0,2,0,0,0,0|2,0,0]=4 1656 B12R1.453 COc1ccc(c(c1)C(=O)N)Br H31250 [0,2,0,0,0,0|2,0,0]=4 1657 B12R1.453 COc1ccc(c(c1)C(=O)O)Br A12261 [0,2,0,0,0,0|1,0,0]=3 1658 B12R1.453 COc1ccc(c(c1)C(=O)O)Cl H26111 [0,2,0,0,0,0|1,0,0]=3 1659 B12R1.453 COc1ccc(c(c1)C(=O)O)F H52365 [0,2,0,0,0,0|1,0,0]=3 1660 B12R1.453 COc1ccc(c(c1)C(=O)O)N L10295 [0,2,0,0,0,0|1,0,0]=3 1661 B12R1.453 COc1ccc(c(c1)C(=O)O)O L16270 [0,2,0,0,0,0|0,0,0]=2 1662 B12R1.453 COc1ccc(c(c1)[N+](=O)[O-])O A13409 [0,2,0,0,0,0|1,0,1]=4 1663 B12R1.453 c1cc(c(cc1C#N)[N+](=O)[O-])O H55597 [0,2,0,0,0,0|1,0,1]=4 1664 B12R1.453 c1cc(c(cc1C=O)[N+](=O)[O-])O A17972 [0,2,0,0,0,0|1,0,1]=4 1665 B12R1.308 CCNC(=O)c1ccccc1Cl H59064 [0,2,0,0,0,0|2,0,0]=4 1666 B12R1.308 CCNC(=O)c1ccccc1F H59435 [0,2,0,0,0,0|2,0,0]=4 1667 B12R1.308 CCOC(=O)c1ccccc1Br A13166 [0,2,0,0,0,0|1,0,0]=3 1668 B12R1.308 CCOC(=O)c1ccccc1C L00598 [0,2,0,0,0,0|1,0,0]=3 1669 B12R1.308 CCOC(=O)c1ccccc1Cl A10141 [0,2,0,0,0,0|1,0,0]=3 1670 B12R1.308 CCOC(=O)c1ccccc1F A16564 [0,2,0,0,0,0|1,0,0]=3 1671 B12R1.308 CCOC(=O)c1ccccc1I L07650 [0,2,0,0,0,0|1,0,0]=3 1672 B12R1.308 CCOC(=O)c1ccccc1N A14378 [0,2,0,0,0,0|1,0,0]=3 1673 B12R1.308 CCOC(=O)c1ccccc1O A10101 [0,2,0,0,0,0|0,0,0]=2 1674 B12R1.308 CCOC(=O)c1ccccc1[Zn+] H58721 [0,2,0,0,0,0|1,0,0]=3 1675 B12R1.308 CCOC(=O)c1cccnc1Br H52335 [0,2,0,0,0,0|2,0,0]=4 1676 B12R1.308 CCOC(=O)c1cccnc1C L03256 [0,2,0,0,0,0|2,0,0]=4 1677 B12R1.308 CCOC(=O)c1cccnc1Cl B20359 [0,2,0,0,0,0|2,0,0]=4 1678 B12R1.308 CCOC(=O)c1cccnc1N H64957 [0,2,0,0,0,0|2,0,0]=4 1679 B12R1.308 CCOC(=O)c1ccncc1N H64188 [0,2,0,0,0,0|2,0,0]=4 1680 B12R1.308 c1ccc(c(c1)C(=O)CC#N)Cl A13611 [0,2,0,0,0,0|2,0,0]=4 1681 B10R1.18 c1ccc(cc1)CC(=O)O A14881 [0,0,1,1,0,0|1,0,1]=4 1682 B10R1.18 c1ccnc(c1)CC(=O)O L04870 [0,0,1,1,0,0|1,0,1]=4 1683 B10R1.66 CC(=O)\C=C\c1ccco1 A19456 [0,0,1,1,0,0|1,0,0]=3 1684 B10R1.66 CC(=O)\C=C\c1cccs1 B25191 [0,0,1,1,0,0|1,1,0]=4 1685 B10R1.66 c1cc(oc1)CCC(=O)O H27273 [0,0,1,1,0,0|0,0,2]=4 1686 B10R1.66 c1cc(oc1)\C=C\C(=O)O B21653 [0,0,1,1,0,0|0,0,0]=2 1687 B10R1.66 c1cc(oc1)\C=C\[N+](=O)[O-] L06995 [0,0,1,1,0,0|1,0,1]=4 1688 B10R1.66 c1cc(sc1)\C=C\C(=O)O A10342 [0,0,1,1,0,0|0,1,0]=3 1689 B10R1.66 c1cocc1\C=C\C(=O)O L13143 [0,0,1,1,0,0|2,0,0]=4 1690 B10R1.66 c1cscc1\C=C\C(=O)O B25017 [0,0,1,1,0,0|2,0,0]=4 1691 B10R1.8 c1c(cc(cc1O)O)C=O A15338 [0,0,1,1,0,0|2,0,0]=4 1692 B10R1.22 Cc1cc(c(c(=O)o1)C)O H26074 [0,0,1,1,0,0|0,0,2]=4 1693 B10R1.23 c1cc(sc1)C(=O)C(=O)O L05153 [0,0,1,1,0,0|1,1,0]=4 1694 B10R2.6 c1ccc(cc1)C2CO2 L07821 [1,0,0,1,0,0|1,0,1]=4 1695 B10R2.6 c1ccc(cc1)[C@@H]2CO2 B21245 [1,0,0,1,0,0|1,0,1]=4 1696 B10R2.7 B1Oc2ccccc2O1 H30234 [1,0,0,1,0,0|2,0,0]=4 1697 B10R2.7 B1Oc2ccccc2O1 L14998 [1,0,0,1,0,0|2,0,0]=4 1698 B10R2.7 c1cc2c(cco2)nc1 H32966 [1,0,0,1,0,0|2,0,0]=4 1699 B10R2.7 c1ccc2c(c1)CC=C2 A12192 [1,0,0,1,0,0|2,0,0]=4 1700 B10R2.7 c1ccc2c(c1)CC=C2 L12665 [1,0,0,1,0,0|2,0,0]=4 1701 B10R2.7 c1ccc2c(c1)CCO2 A11368 [1,0,0,1,0,0|1,0,1]=4 1702 B10R2.7 c1ccc2c(c1)COC2 45592 [1,0,0,1,0,0|1,0,1]=4 1703 B10R2.7 c1ccc2c(c1)COC2 A10217 [1,0,0,1,0,0|1,0,1]=4 1704 B10R2.7 c1ccc2c(c1)OCO2 A14192 [1,0,0,1,0,0|2,0,0]=4 1705 B10R2.7 c1ccc2c(c1)cc[nH]2 A14427 [1,0,0,1,0,0|2,0,0]=4 1706 B10R2.7 c1ccc2c(c1)cco2 A15225 [1,0,0,1,0,0|1,0,0]=3 1707 B10R2.7 c1ccc2c(c1)ccs2 A12328 [1,0,0,1,0,0|1,1,0]=4 1708 B10R2.7 c1ccc2c(c1)cn[nH]2 A11665 [1,0,0,1,0,0|2,0,0]=4 1709 B10R2.7 c1ccc2c(c1)cno2 B23400 [1,0,0,1,0,0|1,0,0]=3 1710 B10R2.7 c1ccc2c(c1)nco2 A17489 [1,0,0,1,0,0|2,0,0]=4 1711 B10R2.7 c1ccc2c(c1)non2 L11229 [1,0,0,1,0,0|2,0,0]=4 1712 B12R2.24 c1cc2c(nc1)NC(=O)CO2 L08473 [0,0,0,1,0,1|2,0,0]=4 1713 B12R2.24 c1ccc2c(c1)CCC(=O)C2 L01053 [0,0,0,1,0,1|2,0,0]=4 1714 B12R2.24 c1ccc2c(c1)CCC(=O)N2 H36638 [0,0,0,1,0,1|2,0,0]=4 1715 B12R2.24 c1ccc2c(c1)CCC(=O)O2 B21229 [0,0,0,1,0,1|2,0,0]=4 1716 B12R2.24 c1ccc2c(c1)CNC(=O)N2 L07763 [0,0,0,1,0,1|2,0,0]=4 1717 B12R2.24 c1ccc2c(c1)NC(=O)CO2 H27622 [0,0,0,1,0,1|1,0,0]=3 1718 B12R2.24 c1ccc2c(c1)NC(=O)CS2 A11091 [0,0,0,1,0,1|1,1,0]=4 1719 B12R2.24 c1ccc2c(c1)ccc(=O)o2 A15336 [0,0,0,1,0,1|2,0,0]=4 1720 B12R2.24 c1ccc2c(c1)ccc(n2)O B23064 [0,0,0,1,0,1|2,0,0]=4 1721 B12R2.24 c1ccc2cc(ccc2c1)O A14564 [0,0,0,1,0,1|2,0,0]=4 1722 B12R2.24 c1ccc2cnc(cc2c1)O L19428 [0,0,0,1,0,1|2,0,0]=4 1723 B12R2.202 Cc1cc2c([nH]1)cccc2O H54770 [0,0,0,1,0,1|2,0,0]=4 1724 B12R2.202 Cc1cccc2c1CC(=O)N2 H66430 [0,0,0,1,0,1|2,0,0]=4 1725 B12R2.202 c1cc2c(c(c1)F)NC(=O)C2 H61511 [0,0,0,1,0,1|2,0,0]=4 1726 B12R2.202 c1cc2c(c(c1)I)NC(=O)C2 H52337 [0,0,0,1,0,1|2,0,0]=4 1727 B12R2.1081 c1ccc2c(c1)C(=O)CCO2 A11242 [0,1,0,1,0,0|1,0,0]=3 1728 B12R2.1081 c1ccc2c(c1)C(CCO2)O A14940 [0,1,0,1,0,0|1,0,1]=4 1729 B12R2.1081 c1ccc2c(c1)CCCC2=O A13303 [0,1,0,1,0,0|2,0,0]=4 1730 B12R2.1081 c1ccc2c(c1)COCC2=O H61539 [0,1,0,1,0,0|1,0,0]=3 1731 B12R2.1081 c1ccc2c(c1)CSCC2=O L07948 [0,1,0,1,0,0|1,1,0]=4 1732 B12R2.1081 c1ccc2c(c1)c(=O)[nH]nn2 A19798 [0,1,0,1,0,0|2,0,0]=4 1733 B12R2.1081 c1ccc2c(c1)c(ccn2)O A15859 [0,1,0,1,0,0|2,0,0]=4 1734 B12R2.1081 c1ccc2c(c1)c(ncn2)O A17129 [0,1,0,1,0,0|2,0,0]=4 1735 B12R2.1081 c1ccc2c(c1)cccc2O A11862 [0,1,0,1,0,0|2,0,0]=4 1736 B12R2.1081 c1ccc2c(c1)ccnc2O H29124 [0,1,0,1,0,0|2,0,0]=4 1737 B12R2.2028 c1cc2c(nc1)C(=O)OC2=O B25118 [0,1,0,1,0,0|1,0,1]=4 1738 B12R2.2028 c1ccc2c(c1)C(=O)CC2=O A12206 [0,1,0,1,0,0|1,0,1]=4 1739 B12R2.2028 c1ccc2c(c1)C(=O)NC2=O A12584 [0,1,0,1,0,0|1,0,1]=4 1740 B12R2.2028 c1ccc2c(c1)C(=O)OC2=O 41771 [0,1,0,1,0,0|0,0,1]=3 1741 B12R2.2028 c1ccc2c(c1)C(=O)OC2=O A14955 [0,1,0,1,0,0|0,0,1]=3 1742 B12R2.2028 c1ccc2c(c1)C(=O)[N-]C2=O A11134 [0,1,0,1,0,0|1,0,1]=4 1743 B12R2.2028 c1cncc2c1C(=O)OC2=O A10771 [0,1,0,1,0,0|1,0,1]=4 1744 B12R2.203 c1cc2c(c(c1)O)C(=O)CC2 H66850 [0,1,0,1,0,0|1,0,0]=3 1745 B12R2.196 c1cc2c(c(c1)Br)CCC2=O H56937 [0,1,0,1,0,0|2,0,0]=4 1746 B12R2.196 c1cc2c(c(c1)F)CCC2=O H59356 [0,1,0,1,0,0|2,0,0]=4 1747 B12R2.196 c1cc2c(c(c1)O)CCC2=O H56184 [0,1,0,1,0,0|2,0,0]=4 1748 B12R2.612 Cc1ccc2c(c1)CCC2=O H66814 [0,1,0,1,0,0|2,0,0]=4 1749 B12R2.612 c1cc2c(cc1Br)CCC2=O B25707 [0,1,0,1,0,0|2,0,0]=4 1750 B12R2.612 c1cc2c(cc1Br)CNC2=O H52358 [0,1,0,1,0,0|2,0,0]=4 1751 B12R2.612 c1cc2c(cc1Br)COC2=O H33891 [0,1,0,1,0,0|1,0,0]=3 1752 B12R2.612 c1cc2c(cc1Cl)CCC2=O A18308 [0,1,0,1,0,0|2,0,0]=4 1753 B12R2.612 c1cc2c(cc1F)CCC2=O L10949 [0,1,0,1,0,0|2,0,0]=4 1754 B12R2.612 c1cc2c(cc1N)CCC2=O H66425 [0,1,0,1,0,0|2,0,0]=4 1755 B12R2.612 c1cc2c(cc1N)COC2=O H66457 [0,1,0,1,0,0|1,0,0]=3 1756 B12R2.612 c1cc2c(cc1O)OCC2=O L10951 [0,1,0,1,0,0|1,0,0]=3 1757 B12R2.132 Cc1ccc2c(c1)C(=O)CC2 L17559 [0,1,0,1,0,0|2,0,0]=4 1758 B12R2.132 c1cc2c(cc1Br)C(=O)CC2 H54003 [0,1,0,1,0,0|2,0,0]=4 1759 B12R2.132 c1cc2c(cc1F)C(=O)CC2 L17095 [0,1,0,1,0,0|2,0,0]=4 1760 B12R2.132 c1cc2c(cc1N)C(=O)OC2 A18896 [0,1,0,1,0,0|1,0,0]=3 1761 B12R2.1 c1ccc2c(c1)c(c[nH]2)C=O A15330 [0,1,0,1,0,0|2,0,0]=4 1762 B12R2.1 c1ccc2c(c1)c(c[nH]2)CO L15762 [0,1,0,1,0,0|2,0,0]=4 1763 B12R2.18 c1ccc2c(c1)C(=O)C(=O)N2 A12468 [0,1,0,1,0,0|1,0,1]=4 1764 B12R2.18 c1ccc2c(c1)CC(C2=O)Br L12453 [0,1,0,1,0,0|2,0,0]=4 1765 B8R1.7 CC(=C1C=CC=C1)C B21826 [1,0,0,0,1,0|2,0,0]=4 1766 B8R1.7 CC(=O)c1cc[nH]c1 A12073 [1,0,0,0,1,0|2,0,0]=4 1767 B8R1.7 CC(=O)c1ccc[nH]1 A14593 [1,0,0,0,1,0|2,0,0]=4 1768 B8R1.7 CC(=O)c1ccco1 A14938 [1,0,0,0,1,0|2,0,0]=4 1769 B8R1.7 CC(=O)c1cccs1 A13062 [1,0,0,0,1,0|2,0,0]=4 1770 B8R1.7 CC(=O)c1ccoc1 H34071 [1,0,0,0,1,0|2,0,0]=4 1771 B8R1.7 CC(=O)c1ccsc1 A11078 [1,0,0,0,1,0|2,0,0]=4 1772 B8R1.7 c1c(cn[nH]1)C(=O)O H25783 [1,0,0,0,1,0|2,0,0]=4 1773 B8R1.7 c1c(nc[nH]1)C(=O)O H56862 [1,0,0,0,1,0|2,0,0]=4 1774 B8R1.7 c1c(ocn1)C(=O)O H30179 [1,0,0,0,1,0|2,0,0]=4 1775 B8R1.7 c1c[nH]cc1C(=O)O H55383 [1,0,0,0,1,0|1,0,0]=3 1776 B8R1.7 c1c[nH]nc1C(=O)O B25732 [1,0,0,0,1,0|2,0,0]=4 1777 B8R1.7 c1cc([nH]c1)C(=O)O L13756 [1,0,0,0,1,0|1,0,0]=3 1778 B8R1.7 c1cc(oc1)C(=O)Cl L06960 [1,0,0,0,1,0|2,0,0]=4 1779 B8R1.7 c1cc(oc1)C(=O)N B25075 [1,0,0,0,1,0|2,0,0]=4 1780 B8R1.7 c1cc(oc1)C(=O)O A11454 [1,0,0,0,1,0|1,0,0]=3 1781 B8R1.7 c1cc(sc1)C(=O)Cl A14641 [1,0,0,0,1,0|2,0,0]=4 1782 B8R1.7 c1cc(sc1)C(=O)N A15219 [1,0,0,0,1,0|2,0,0]=4 1783 B8R1.7 c1cc(sc1)C(=O)O A12514 [1,0,0,0,1,0|1,0,0]=3 1784 B8R1.7 c1cc(sc1)C(=O)[O-] H64950 [1,0,0,0,1,0|1,0,1]=4 1785 B8R1.7 c1cnoc1C(=O)O A13739 [1,0,0,0,1,0|2,0,0]=4 1786 B8R1.7 c1cocc1C(=O)O L11629 [1,0,0,0,1,0|1,0,0]=3 1787 B8R1.7 c1conc1C(=O)O H58438 [1,0,0,0,1,0|2,0,0]=4 1788 B8R1.7 c1csc(n1)C(=O)O H63620 [1,0,0,0,1,0|2,0,0]=4 1789 B8R1.7 c1cscc1C(=O)Cl H61428 [1,0,0,0,1,0|2,0,0]=4 1790 B8R1.7 c1cscc1C(=O)O A15712 [1,0,0,0,1,0|1,0,0]=3 1791 B8R1.11 Cc1ccsc1C=O A13961 [1,0,0,0,1,0|2,0,0]=4 1792 B8R1.11 Cc1ccsc1C=O L14741 [1,0,0,0,1,0|2,0,0]=4 1793 B8R1.11 Cn1cccc1C=O A11163 [1,0,0,0,1,0|2,0,0]=4 1794 B8R1.11 c1csc(c1Br)C=O L19386 [1,0,0,0,1,0|2,0,0]=4 1795 B12R1.125 CC(=O)NCc1ccccc1Br H50599 [0,0,0,0,0,2|2,0,0]=4 1796 B12R1.125 Cc1ccccc1CCC(=O)O H34375 [0,0,0,0,0,2|1,0,0]=3 1797 B12R1.125 Cc1ccccc1OCC(=O)O A13076 [0,0,0,0,0,2|1,0,0]=3 1798 B12R1.125 Cc1ccccc1\C=C\C(=O)O A14644 [0,0,0,0,0,2|1,0,0]=3 1799 B12R1.125 c1cc(c(nc1)Cl)\C=C\C(=O)O H50051 [0,0,0,0,0,2|2,0,0]=4 1800 B12R1.125 c1cc(c(nc1)N)\C=C\C(=O)O H50021 [0,0,0,0,0,2|2,0,0]=4 1801 B12R1.125 c1ccc(c(c1)CCC(=O)O)Br H33933 [0,0,0,0,0,2|1,0,0]=3 1802 B12R1.125 c1ccc(c(c1)CCC(=O)O)Cl L15306 [0,0,0,0,0,2|1,0,0]=3 1803 B12R1.125 c1ccc(c(c1)CCC(=O)O)F H34110 [0,0,0,0,0,2|1,0,0]=3 1804 B12R1.125 c1ccc(c(c1)CCC(=O)O)O A14195 [0,0,0,0,0,2|0,0,0]=2 1805 B12R1.125 c1ccc(c(c1)O)OCC(=O)O L03897 [0,0,0,0,0,2|0,0,0]=2 1806 B12R1.125 c1ccc(c(c1)OCC(=O)N)Cl B25223 [0,0,0,0,0,2|2,0,0]=4 1807 B12R1.125 c1ccc(c(c1)OCC(=O)O)Cl L00926 [0,0,0,0,0,2|1,0,0]=3 1808 B12R1.125 c1ccc(c(c1)\C=C\C(=O)Cl)Cl L10521 [0,0,0,0,0,2|2,0,0]=4 1809 B12R1.125 c1ccc(c(c1)\C=C\C(=O)O)Br A11381 [0,0,0,0,0,2|1,0,0]=3 1810 B12R1.125 c1ccc(c(c1)\C=C\C(=O)O)Cl L01606 [0,0,0,0,0,2|1,0,0]=3 1811 B12R1.125 c1ccc(c(c1)\C=C\C(=O)O)F A15303 [0,0,0,0,0,2|1,0,0]=3 1812 B12R1.125 c1ccc(c(c1)\C=C\C(=O)O)O A11740 [0,0,0,0,0,2|0,0,0]=2 1813 B12R1.125 c1cncc(c1N)\C=C\C(=O)O H51665 [0,0,0,0,0,2|2,0,0]=4