0 B10R1.61 B(c1c(cccn1)C)(O)O AB06942 [0,0,0,0,0,0|3,0,1]=4 1 B10R1.61 B(c1c(cccn1)O)(O)O AB48454 [0,0,0,0,0,0|2,0,1]=3 2 B10R1.61 B(c1ccccc1Br)(O)O AB08325 [0,0,0,0,0,0|2,0,1]=3 3 B10R1.61 B(c1ccccc1C)(O)O AB03348 [0,0,0,0,0,0|2,0,1]=3 4 B10R1.61 B(c1ccccc1Cl)(O)O AB06914 [0,0,0,0,0,0|2,0,1]=3 5 B10R1.61 B(c1ccccc1F)(O)O AB06918 [0,0,0,0,0,0|2,0,1]=3 6 B10R1.61 B(c1ccccc1N)(O)O AB08088 [0,0,0,0,0,0|2,0,1]=3 7 B10R1.61 B(c1ccccc1O)(O)O AB08053 [0,0,0,0,0,0|1,0,1]=2 8 B10R1.61 B(c1cccnc1Br)(O)O AB17846 [0,0,0,0,0,0|3,0,1]=4 9 B10R1.61 B(c1cccnc1C)(O)O AB25945 [0,0,0,0,0,0|3,0,1]=4 10 B10R1.61 B(c1cccnc1Cl)(O)O PB10233 [0,0,0,0,0,0|3,0,1]=4 11 B10R1.61 B(c1cccnc1F)(O)O AB14130 [0,0,0,0,0,0|3,0,1]=4 12 B10R1.61 B(c1cccnc1F)(O)O AB17194 [0,0,0,0,0,0|3,0,1]=4 13 B10R1.61 B(c1cccnc1O)(O)O AB59785 [0,0,0,0,0,0|2,0,1]=3 14 B10R1.61 B(c1ccncc1Br)(O)O AB30060 [0,0,0,0,0,0|3,0,1]=4 15 B10R1.61 B(c1ccncc1C)(O)O PB33663 [0,0,0,0,0,0|3,0,1]=4 16 B10R1.61 B(c1ccncc1Cl)(O)O AB14722 [0,0,0,0,0,0|3,0,1]=4 17 B10R1.61 B(c1ccncc1F)(O)O AB15803 [0,0,0,0,0,0|3,0,1]=4 18 B10R1.61 B(c1ccncc1F)(O)O AB16034 [0,0,0,0,0,0|3,0,1]=4 19 B10R1.61 B(c1ccncc1N)(O)O AB67765 [0,0,0,0,0,0|3,0,1]=4 20 B10R1.61 B(c1ccncc1O)(O)O AB67807 [0,0,0,0,0,0|2,0,1]=3 21 B10R1.61 B(c1cnccc1C)(O)O AB15952 [0,0,0,0,0,0|3,0,1]=4 22 B10R1.61 B(c1cnccc1Cl)(O)O AB30062 [0,0,0,0,0,0|3,0,1]=4 23 B10R1.61 B(c1cnccc1F)(O)O AB32070 [0,0,0,0,0,0|3,0,1]=4 24 B10R1.61 B(c1cnccc1O)(O)O AB59789 [0,0,0,0,0,0|2,0,1]=3 25 B10R1.61 CC(=O)c1c(cccn1)Cl PB28312 [0,0,0,0,0,0|3,0,0]=3 26 B10R1.61 CC(=O)c1c(cccn1)F PB26212 [0,0,0,0,0,0|3,0,0]=3 27 B10R1.61 CC(=O)c1c(cccn1)N AB08681 [0,0,0,0,0,0|3,0,0]=3 28 B10R1.61 CC(=O)c1c(nccn1)Cl PB31492 [0,0,0,0,0,0|4,0,0]=4 29 B10R1.61 CC(=O)c1c(nccn1)N PB17764 [0,0,0,0,0,0|4,0,0]=4 30 B10R1.61 CC(=O)c1cccnc1Br AB18171 [0,0,0,0,0,0|3,0,0]=3 31 B10R1.61 CC(=O)c1cccnc1Cl PB32351 [0,0,0,0,0,0|3,0,0]=3 32 B10R1.61 CC(=O)c1cccnc1F AB41104 [0,0,0,0,0,0|3,0,0]=3 33 B10R1.61 CC(=O)c1cccnc1N AB11689 [0,0,0,0,0,0|3,0,0]=3 34 B10R1.61 CC(=O)c1ccncc1Br PB12099 [0,0,0,0,0,0|3,0,0]=3 35 B10R1.61 CC(=O)c1ccncc1F PB22036 [0,0,0,0,0,0|3,0,0]=3 36 B10R1.61 CC(=O)c1ccncc1N AB41121 [0,0,0,0,0,0|3,0,0]=3 37 B10R1.61 CC(=O)c1cnccc1Br AB64732 [0,0,0,0,0,0|3,0,0]=3 38 B10R1.61 CC(=O)c1cnccc1Cl AB64447 [0,0,0,0,0,0|3,0,0]=3 39 B10R1.61 CC(=O)c1cnccc1F AB41107 [0,0,0,0,0,0|3,0,0]=3 40 B10R1.61 CC(C)c1c(cccn1)O MB22687 [0,0,0,0,0,0|3,0,1]=4 41 B10R1.61 CC(C)c1ccncc1O MB22678 [0,0,0,0,0,0|3,0,1]=4 42 B10R1.61 CC(C)c1cnccc1O MB22684 [0,0,0,0,0,0|3,0,1]=4 43 B10R1.61 CN(C)c1c(cccn1)O MB24991 [0,0,0,0,0,0|4,0,0]=4 44 B10R1.61 CN(C)c1ccccc1O MB08302 [0,0,0,0,0,0|3,0,0]=3 45 B10R1.61 CN(C)c1ccncc1O MB24982 [0,0,0,0,0,0|4,0,0]=4 46 B10R1.61 CN(C)c1cnccc1O MB24989 [0,0,0,0,0,0|4,0,0]=4 47 B10R1.61 Cc1c(cccn1)C(=O)C AB03570 [0,0,0,0,0,0|3,0,0]=3 48 B10R1.61 Cc1c(cccn1)C(=O)O PB27380 [0,0,0,0,0,0|2,0,0]=2 49 B10R1.61 Cc1c(cccn1)[N+](=O)[O-] PB15768 [0,0,0,0,0,0|3,0,1]=4 50 B10R1.61 Cc1c(ccnn1)C(=O)O PB22593 [0,0,0,0,0,0|3,0,0]=3 51 B10R1.61 Cc1c(nccn1)C(=O)O PB12562 [0,0,0,0,0,0|3,0,0]=3 52 B10R1.61 Cc1ccccc1C(=N)N AB18273 [0,0,0,0,0,0|3,0,0]=3 53 B10R1.61 Cc1ccccc1C(=S)N AB16881 [0,0,0,0,0,0|2,1,0]=3 54 B10R1.61 Cc1cccnc1C(=O)O PB10121 [0,0,0,0,0,0|2,0,0]=2 55 B10R1.61 Cc1ccncc1C(=O)C AB45306 [0,0,0,0,0,0|3,0,0]=3 56 B10R1.61 Cc1ccncc1C(=O)O PB17119 [0,0,0,0,0,0|2,0,0]=2 57 B10R1.61 Cc1ccncc1[N+](=O)[O-] PB27407 [0,0,0,0,0,0|3,0,1]=4 58 B10R1.61 Cc1ccnnc1C(=O)O PB17664 [0,0,0,0,0,0|3,0,0]=3 59 B10R1.61 Cc1cnccc1C(=O)O PB12103 [0,0,0,0,0,0|2,0,0]=2 60 B10R1.61 Cc1cnccc1[N+](=O)[O-] PB15731 [0,0,0,0,0,0|3,0,1]=4 61 B10R1.61 Cc1cnncc1C(=O)O PB17923 [0,0,0,0,0,0|3,0,0]=3 62 B10R1.61 c1c(c(ncn1)C(=O)O)Br PB12688 [0,0,0,0,0,0|3,0,0]=3 63 B10R1.61 c1c(c(ncn1)Cl)C(=O)O AB51529 [0,0,0,0,0,0|3,0,0]=3 64 B10R1.61 c1c(c(ncn1)N)C(=O)O AB02045 [0,0,0,0,0,0|3,0,0]=3 65 B10R1.61 c1cc(c(nc1)Br)C(=O)O AB09561 [0,0,0,0,0,0|2,0,0]=2 66 B10R1.61 c1cc(c(nc1)Br)[N+](=O)[O-] PB12717 [0,0,0,0,0,0|3,0,1]=4 67 B10R1.61 c1cc(c(nc1)C(=O)N)N PB24920 [0,0,0,0,0,0|3,0,0]=3 68 B10R1.61 c1cc(c(nc1)C(=O)O)Cl PB30690 [0,0,0,0,0,0|2,0,0]=2 69 B10R1.61 c1cc(c(nc1)C(=O)O)F PB12310 [0,0,0,0,0,0|2,0,0]=2 70 B10R1.61 c1cc(c(nc1)C(=O)O)I AB10544 [0,0,0,0,0,0|2,0,0]=2 71 B10R1.61 c1cc(c(nc1)C(=O)O)N PB32134 [0,0,0,0,0,0|2,0,0]=2 72 B10R1.61 c1cc(c(nc1)Cl)C(=N)N MB05508 [0,0,0,0,0,0|4,0,0]=4 73 B10R1.61 c1cc(c(nc1)Cl)C(=O)O AB00651 [0,0,0,0,0,0|2,0,0]=2 74 B10R1.61 c1cc(c(nc1)Cl)[N+](=O)[O-] PB33644 [0,0,0,0,0,0|3,0,1]=4 75 B10R1.61 c1cc(c(nc1)F)C(=O)O AB01814 [0,0,0,0,0,0|2,0,0]=2 76 B10R1.61 c1cc(c(nc1)N)C(=O)O PB30535 [0,0,0,0,0,0|2,0,0]=2 77 B10R1.61 c1cc(c(nc1)N)[N+](=O)[O-] PB19852 [0,0,0,0,0,0|3,0,1]=4 78 B10R1.61 c1cc(c(nc1)O)C(=O)O AB01020 [0,0,0,0,0,0|1,0,0]=1 79 B10R1.61 c1cc(c(nc1)O)[N+](=O)[O-] PB30530 [0,0,0,0,0,0|2,0,1]=3 80 B10R1.61 c1cc(c(nc1)[N+](=O)[O-])O AB00667 [0,0,0,0,0,0|2,0,1]=3 81 B10R1.61 c1ccc(c(c1)C(=N)N)Br AB18326 [0,0,0,0,0,0|3,0,0]=3 82 B10R1.61 c1ccc(c(c1)C(=N)N)Cl AB05888 [0,0,0,0,0,0|3,0,0]=3 83 B10R1.61 c1ccc(c(c1)C(=N)N)F AB18318 [0,0,0,0,0,0|3,0,0]=3 84 B10R1.61 c1ccc(c(c1)C(=N)N)O AB55085 [0,0,0,0,0,0|2,0,0]=2 85 B10R1.61 c1ccc(c(c1)C(=O)O)Br AB00223 [0,0,0,0,0,0|1,0,0]=1 86 B10R1.61 c1ccc(c(c1)C(=S)N)Br AB21272 [0,0,0,0,0,0|2,1,0]=3 87 B10R1.61 c1ccc(c(c1)C(=S)N)Cl AB01839 [0,0,0,0,0,0|2,1,0]=3 88 B10R1.61 c1ccc(c(c1)C(=S)N)N AB07816 [0,0,0,0,0,0|2,1,0]=3 89 B10R1.61 c1cnc(c(n1)C(=O)Cl)Cl AB60404 [0,0,0,0,0,0|4,0,0]=4 90 B10R1.61 c1cnc(c(n1)C(=O)N)N AB14047 [0,0,0,0,0,0|4,0,0]=4 91 B10R1.61 c1cnc(c(n1)C(=O)N)O CB10307 [0,0,0,0,0,0|3,0,0]=3 92 B10R1.61 c1cnc(c(n1)C(=O)O)Cl PB23222 [0,0,0,0,0,0|3,0,0]=3 93 B10R1.61 c1cnc(c(n1)C(=O)O)N AB00606 [0,0,0,0,0,0|3,0,0]=3 94 B10R1.61 c1cnc(c(n1)C(=O)O)O PB18475 [0,0,0,0,0,0|2,0,0]=2 95 B10R1.61 c1cncc(c1Br)C(=O)O AB18009 [0,0,0,0,0,0|2,0,0]=2 96 B10R1.61 c1cncc(c1Br)[N+](=O)[O-] AB17641 [0,0,0,0,0,0|3,0,1]=4 97 B10R1.61 c1cncc(c1C(=O)N)O MB13532 [0,0,0,0,0,0|2,0,0]=2 98 B10R1.61 c1cncc(c1C(=O)O)Br PB10062 [0,0,0,0,0,0|2,0,0]=2 99 B10R1.61 c1cncc(c1C(=O)O)Cl AB13346 [0,0,0,0,0,0|2,0,0]=2 100 B10R1.61 c1cncc(c1C(=O)O)I AB09565 [0,0,0,0,0,0|2,0,0]=2 101 B10R1.61 c1cncc(c1C(=O)O)N PB17122 [0,0,0,0,0,0|2,0,0]=2 102 B10R1.61 c1cncc(c1C(=O)O)O PB29057 [0,0,0,0,0,0|1,0,0]=1 103 B10R1.61 c1cncc(c1Cl)C(=O)O AB03598 [0,0,0,0,0,0|2,0,0]=2 104 B10R1.61 c1cncc(c1Cl)[N+](=O)[O-] PB27580 [0,0,0,0,0,0|3,0,1]=4 105 B10R1.61 c1cncc(c1F)C(=O)O AB18036 [0,0,0,0,0,0|2,0,0]=2 106 B10R1.61 c1cncc(c1I)C(=O)O AB15003 [0,0,0,0,0,0|2,0,0]=2 107 B10R1.61 c1cncc(c1N)C(=O)N PB21456 [0,0,0,0,0,0|3,0,0]=3 108 B10R1.61 c1cncc(c1N)C(=O)O PB26016 [0,0,0,0,0,0|2,0,0]=2 109 B10R1.61 c1cncc(c1N)[N+](=O)[O-] PB15655 [0,0,0,0,0,0|3,0,1]=4 110 B10R1.61 c1cncc(c1O)C(=O)N MB06099 [0,0,0,0,0,0|2,0,0]=2 111 B10R1.61 c1cncc(c1O)C(=O)O AB01802 [0,0,0,0,0,0|1,0,0]=1 112 B10R1.61 c1cncc(c1O)[N+](=O)[O-] PB12105 [0,0,0,0,0,0|2,0,1]=3 113 B10R1.61 c1cncc(c1[N+](=O)[O-])Br AB13073 [0,0,0,0,0,0|3,0,1]=4 114 B10R1.61 c1cncc(c1[N+](=O)[O-])Cl AB06349 [0,0,0,0,0,0|3,0,1]=4 115 B10R1.61 c1cncc(c1[N+](=O)[O-])F AB17583 [0,0,0,0,0,0|3,0,1]=4 116 B10R1.61 c1cncc(c1[N+](=O)[O-])N AB18008 [0,0,0,0,0,0|3,0,1]=4 117 B10R1.61 c1cnnc(c1C(=O)O)O AB76276 [0,0,0,0,0,0|2,0,0]=2 118 B10R1.61 c1nc(c(nn1)C(=O)O)O AB72460 [0,0,0,0,0,0|3,0,0]=3 119 B9R1.6 B(c1cccnc1)(O)O AB17635 [1,0,0,0,0,0|2,0,1]=4 120 B9R1.6 B(c1cccnc1)(O)O PB14187 [1,0,0,0,0,0|2,0,1]=4 121 B9R1.6 B(c1ccncc1)(O)O AB23111 [1,0,0,0,0,0|2,0,1]=4 122 B9R1.6 B(c1ccncc1)(O)O PB29133 [1,0,0,0,0,0|2,0,1]=4 123 B9R1.6 C=C(c1ccccn1)Br AB31950 [1,0,0,0,0,0|3,0,0]=4 124 B9R1.6 CC(=O)c1ccccn1 AB00686 [1,0,0,0,0,0|2,0,0]=3 125 B9R1.6 CC(=O)c1cccnc1 AB00750 [1,0,0,0,0,0|2,0,0]=3 126 B9R1.6 CC(=O)c1cccnn1 PB16551 [1,0,0,0,0,0|3,0,0]=4 127 B9R1.6 CC(=O)c1ccncc1 AB00760 [1,0,0,0,0,0|2,0,0]=3 128 B9R1.6 CC(=O)c1ccncn1 PB17606 [1,0,0,0,0,0|3,0,0]=4 129 B9R1.6 CC(=O)c1ccnnc1 PB26895 [1,0,0,0,0,0|3,0,0]=4 130 B9R1.6 CC(=O)c1cnccn1 AB00602 [1,0,0,0,0,0|3,0,0]=4 131 B9R1.6 CC(=O)c1cncnc1 PB20327 [1,0,0,0,0,0|3,0,0]=4 132 B9R1.6 CC(=O)c1ncccn1 PB34295 [1,0,0,0,0,0|3,0,0]=4 133 B9R1.6 CC(c1ccccc1)Cl AB01249 [1,0,0,0,0,0|2,0,1]=4 134 B9R1.6 c1c(cncn1)C(=O)O PB23195 [1,0,0,0,0,0|2,0,0]=3 135 B9R1.6 c1c(ncnn1)C(=O)O AB72448 [1,0,0,0,0,0|3,0,0]=4 136 B9R1.6 c1cc(nnc1)C(=O)O PB21767 [1,0,0,0,0,0|2,0,0]=3 137 B9R1.6 c1ccc(cc1)C(=N)N AB01943 [1,0,0,0,0,0|2,0,0]=3 138 B9R1.6 c1ccnc(c1)C(=N)N MB00460 [1,0,0,0,0,0|3,0,0]=4 139 B9R1.6 c1ccnc(c1)C(=O)O AB00685 [1,0,0,0,0,0|1,0,0]=2 140 B9R1.6 c1ccnc(c1)C(=S)N AB03215 [1,0,0,0,0,0|2,1,0]=4 141 B9R1.6 c1cnc(cn1)C(=O)O PB27363 [1,0,0,0,0,0|2,0,0]=3 142 B9R1.6 c1cnc(nc1)C(=O)O PB18516 [1,0,0,0,0,0|2,0,0]=3 143 B9R1.6 c1cnccc1C(=N)N MB02852 [1,0,0,0,0,0|3,0,0]=4 144 B9R1.6 c1cnccc1C(=O)O AB00757 [1,0,0,0,0,0|1,0,0]=2 145 B9R1.6 c1cnccc1C(=S)N AB00764 [1,0,0,0,0,0|2,1,0]=4 146 B9R1.6 c1cncnc1C(=O)O PB29023 [1,0,0,0,0,0|2,0,0]=3 147 B9R1.6 c1cnnc(n1)C(=O)O AB48886 [1,0,0,0,0,0|3,0,0]=4 148 B9R1.6 c1cnncc1C(=O)O PB17054 [1,0,0,0,0,0|2,0,0]=3 149 B9R1.6 c1ncnc(n1)C(=O)O AB60791 [1,0,0,0,0,0|3,0,0]=4 150 B9R1.15 C#Cc1ccccc1Br AB10375 [1,0,0,0,0,0|2,0,1]=4 151 B9R1.15 C#Cc1cccnc1O AB69073 [1,0,0,0,0,0|2,0,1]=4 152 B9R1.15 CCc1c(cccn1)O MB01433 [1,0,0,0,0,0|2,0,1]=4 153 B9R1.15 CCc1ccncc1O MB12325 [1,0,0,0,0,0|2,0,1]=4 154 B9R1.15 CCc1cnccc1O MB24095 [1,0,0,0,0,0|2,0,1]=4 155 B9R1.15 CNc1ccncc1O MB27525 [1,0,0,0,0,0|3,0,0]=4 156 B9R1.15 CNc1cnccc1O MB29366 [1,0,0,0,0,0|3,0,0]=4 157 B9R1.15 COc1c(cccn1)O AB06074 [1,0,0,0,0,0|3,0,0]=4 158 B9R1.15 COc1cccnc1O AB43293 [1,0,0,0,0,0|3,0,0]=4 159 B9R1.15 COc1ccncc1O MB09117 [1,0,0,0,0,0|3,0,0]=4 160 B9R1.15 COc1cnccc1O MB25455 [1,0,0,0,0,0|3,0,0]=4 161 B9R1.15 CSc1c(cccn1)O MB01598 [1,0,0,0,0,0|3,0,0]=4 162 B9R1.15 CSc1ccncc1O MB25632 [1,0,0,0,0,0|3,0,0]=4 163 B9R1.15 CSc1cnccc1O MB31499 [1,0,0,0,0,0|3,0,0]=4 164 B9R1.15 Cc1c(cccn1)C=O PB27878 [1,0,0,0,0,0|2,0,0]=3 165 B9R1.15 Cc1c(cccn1)CO AB01512 [1,0,0,0,0,0|2,0,1]=4 166 B9R1.15 Cc1c(nccn1)C=O PB13166 [1,0,0,0,0,0|3,0,0]=4 167 B9R1.15 Cc1cccnc1C=O PB14292 [1,0,0,0,0,0|2,0,0]=3 168 B9R1.15 Cc1cccnc1CO AB12590 [1,0,0,0,0,0|2,0,1]=4 169 B9R1.15 Cc1ccncc1C=O PB23498 [1,0,0,0,0,0|2,0,0]=3 170 B9R1.15 Cc1ccncc1CO PB21746 [1,0,0,0,0,0|2,0,1]=4 171 B9R1.15 Cc1cnccc1C=O AB11481 [1,0,0,0,0,0|2,0,0]=3 172 B9R1.15 Cc1cnccc1CO PB32359 [1,0,0,0,0,0|2,0,1]=4 173 B9R1.15 c1c(c(ncn1)Cl)C=O AB65173 [1,0,0,0,0,0|3,0,0]=4 174 B9R1.15 c1c(c(ncn1)N)C=O AB55705 [1,0,0,0,0,0|3,0,0]=4 175 B9R1.15 c1cc(c(nc1)Br)C=O AB20862 [1,0,0,0,0,0|2,0,0]=3 176 B9R1.15 c1cc(c(nc1)Br)CO AB44846 [1,0,0,0,0,0|2,0,1]=4 177 B9R1.15 c1cc(c(nc1)C=O)Br AB42598 [1,0,0,0,0,0|2,0,0]=3 178 B9R1.15 c1cc(c(nc1)C=O)F PB22063 [1,0,0,0,0,0|2,0,0]=3 179 B9R1.15 c1cc(c(nc1)C=O)N AB42378 [1,0,0,0,0,0|2,0,0]=3 180 B9R1.15 c1cc(c(nc1)C=O)O PB12355 [1,0,0,0,0,0|1,0,0]=2 181 B9R1.15 c1cc(c(nc1)CN)O MB01728 [1,0,0,0,0,0|2,0,1]=4 182 B9R1.15 c1cc(c(nc1)CO)Cl AB63515 [1,0,0,0,0,0|2,0,1]=4 183 B9R1.15 c1cc(c(nc1)CO)F PB22208 [1,0,0,0,0,0|2,0,1]=4 184 B9R1.15 c1cc(c(nc1)CO)N AB31896 [1,0,0,0,0,0|2,0,1]=4 185 B9R1.15 c1cc(c(nc1)CO)O MB00702 [1,0,0,0,0,0|1,0,1]=3 186 B9R1.15 c1cc(c(nc1)Cl)C=O PB27532 [1,0,0,0,0,0|2,0,0]=3 187 B9R1.15 c1cc(c(nc1)Cl)CO PB27555 [1,0,0,0,0,0|2,0,1]=4 188 B9R1.15 c1cc(c(nc1)F)C=O AB13640 [1,0,0,0,0,0|2,0,0]=3 189 B9R1.15 c1cc(c(nc1)N)C=O AB09963 [1,0,0,0,0,0|2,0,0]=3 190 B9R1.15 c1cc(c(nc1)N)CO PB32383 [1,0,0,0,0,0|2,0,1]=4 191 B9R1.15 c1cc(c(nc1)O)C#N PB21004 [1,0,0,0,0,0|2,0,1]=4 192 B9R1.15 c1cc(c(nc1)O)C=O AB55041 [1,0,0,0,0,0|1,0,0]=2 193 B9R1.15 c1cc(c(nc1)O)CO AB52938 [1,0,0,0,0,0|1,0,1]=3 194 B9R1.15 c1ccc(c(c1)C=O)I PB15618 [1,0,0,0,0,0|1,0,0]=2 195 B9R1.15 c1ccc(c(c1)CI)O MB07048 [1,0,0,0,0,0|1,0,1]=3 196 B9R1.15 c1ccc(c(c1)CN)O MB01565 [1,0,0,0,0,0|1,0,1]=3 197 B9R1.15 c1cnc(c(n1)C=O)Cl AB32644 [1,0,0,0,0,0|3,0,0]=4 198 B9R1.15 c1cnc(c(n1)C=O)N PB10822 [1,0,0,0,0,0|3,0,0]=4 199 B9R1.15 c1cncc(c1Br)C=O AB25683 [1,0,0,0,0,0|2,0,0]=3 200 B9R1.15 c1cncc(c1Br)C=O AB53933 [1,0,0,0,0,0|2,0,0]=3 201 B9R1.15 c1cncc(c1C#N)O MB12322 [1,0,0,0,0,0|2,0,1]=4 202 B9R1.15 c1cncc(c1C=O)Br PB17335 [1,0,0,0,0,0|2,0,0]=3 203 B9R1.15 c1cncc(c1C=O)Cl AB23043 [1,0,0,0,0,0|2,0,0]=3 204 B9R1.15 c1cncc(c1C=O)F PB32422 [1,0,0,0,0,0|2,0,0]=3 205 B9R1.15 c1cncc(c1C=O)N PB20170 [1,0,0,0,0,0|2,0,0]=3 206 B9R1.15 c1cncc(c1C=O)O AB08714 [1,0,0,0,0,0|1,0,0]=2 207 B9R1.15 c1cncc(c1CN)O MB09249 [1,0,0,0,0,0|2,0,1]=4 208 B9R1.15 c1cncc(c1CO)Br PB19192 [1,0,0,0,0,0|2,0,1]=4 209 B9R1.15 c1cncc(c1CO)F PB29849 [1,0,0,0,0,0|2,0,1]=4 210 B9R1.15 c1cncc(c1CO)N AB25787 [1,0,0,0,0,0|2,0,1]=4 211 B9R1.15 c1cncc(c1Cl)C=O AB17590 [1,0,0,0,0,0|2,0,0]=3 212 B9R1.15 c1cncc(c1F)C=O AB32109 [1,0,0,0,0,0|2,0,0]=3 213 B9R1.15 c1cncc(c1N)C=O AB12471 [1,0,0,0,0,0|2,0,0]=3 214 B9R1.15 c1cncc(c1N)C=O PB27639 [1,0,0,0,0,0|2,0,0]=3 215 B9R1.15 c1cncc(c1N)CO PB14435 [1,0,0,0,0,0|2,0,1]=4 216 B9R1.15 c1cncc(c1O)C#N MB01597 [1,0,0,0,0,0|2,0,1]=4 217 B9R1.15 c1cncc(c1O)C=O AB59870 [1,0,0,0,0,0|1,0,0]=2 218 B9R1.15 c1cncc(c1O)CN MB35531 [1,0,0,0,0,0|2,0,1]=4 219 B11R1.53 B(c1c(cccn1)OC)(O)O AB31194 [0,1,0,0,0,0|2,0,1]=4 220 B11R1.53 B(c1ccccc1C#C)(O)O AB59599 [0,1,0,0,0,0|2,0,1]=4 221 B11R1.53 B(c1ccccc1C#N)(O)O AB09482 [0,1,0,0,0,0|2,0,1]=4 222 B11R1.53 B(c1ccccc1C=C)(O)O AB08106 [0,1,0,0,0,0|2,0,1]=4 223 B11R1.53 B(c1ccccc1C=O)(O)O AB03992 [0,1,0,0,0,0|1,0,2]=4 224 B11R1.53 B(c1ccccc1CBr)(O)O AB08764 [0,1,0,0,0,0|2,0,1]=4 225 B11R1.53 B(c1ccccc1CC)(O)O AB10774 [0,1,0,0,0,0|2,0,1]=4 226 B11R1.53 B(c1ccccc1OC)(O)O AB05344 [0,1,0,0,0,0|1,0,1]=3 227 B11R1.53 B(c1ccccc1SC)(O)O AB08660 [0,1,0,0,0,0|1,1,1]=4 228 B11R1.53 B(c1cccnc1OC)(O)O AB14155 [0,1,0,0,0,0|2,0,1]=4 229 B11R1.53 B(c1cccnc1OC)(O)O AB40865 [0,1,0,0,0,0|2,0,1]=4 230 B11R1.53 B(c1ccncc1OC)(O)O AB30105 [0,1,0,0,0,0|2,0,1]=4 231 B11R1.53 B(c1ccncc1OC)(O)O AB42657 [0,1,0,0,0,0|2,0,1]=4 232 B11R1.53 B(c1cnccc1OC)(O)O AB08335 [0,1,0,0,0,0|2,0,1]=4 233 B11R1.53 B(c1cnccc1OC)(O)O AB17840 [0,1,0,0,0,0|2,0,1]=4 234 B11R1.53 B(c1cnccc1OC)(O)O AB30564 [0,1,0,0,0,0|2,0,1]=4 235 B11R1.53 C#Cc1ccccc1[N+](=O)[O-] AB08305 [0,1,0,0,0,0|2,0,1]=4 236 B11R1.53 CC(=O)c1cccnc1OC AB64711 [0,1,0,0,0,0|2,0,0]=3 237 B11R1.53 CC(=O)c1cnccc1OC AB67883 [0,1,0,0,0,0|2,0,0]=3 238 B11R1.53 CCc1ccccc1C(=S)N AB26904 [0,1,0,0,0,0|2,1,0]=4 239 B11R1.53 COc1c(cccn1)C(=O)O PB18444 [0,1,0,0,0,0|1,0,0]=2 240 B11R1.53 COc1c(nccn1)C(=O)O AB60438 [0,1,0,0,0,0|2,0,0]=3 241 B11R1.53 COc1ccccc1C(=N)N AB27551 [0,1,0,0,0,0|2,0,0]=3 242 B11R1.53 COc1ccccc1C(=S)N AB21279 [0,1,0,0,0,0|1,1,0]=3 243 B11R1.53 COc1cccnc1C(=O)O MB04405 [0,1,0,0,0,0|1,0,0]=2 244 B11R1.53 COc1cccnc1[N+](=O)[O-] AB04964 [0,1,0,0,0,0|2,0,1]=4 245 B11R1.53 COc1ccncc1C(=O)O AB20474 [0,1,0,0,0,0|1,0,0]=2 246 B11R1.53 COc1cnccc1C(=O)O AB32050 [0,1,0,0,0,0|1,0,0]=2 247 B11R1.53 c1cc(c(nc1)C#N)C(=O)N AB31820 [0,1,0,0,0,0|3,0,0]=4 248 B11R1.53 c1cc(c(nc1)C#N)C(=O)O AB31804 [0,1,0,0,0,0|2,0,0]=3 249 B11R1.53 c1cc(c(nc1)C(=O)N)C#N AB31810 [0,1,0,0,0,0|3,0,0]=4 250 B11R1.53 c1cc(c(nc1)C(=O)O)C#N AB31808 [0,1,0,0,0,0|2,0,0]=3 251 B11R1.53 c1ccc(c(c1)CCl)C(=O)Cl CB10271 [0,1,0,0,0,0|2,0,0]=3 252 B11R1.53 c1cncc(c1C(=O)O)C#N AB67710 [0,1,0,0,0,0|2,0,0]=3 253 B11R1.87 C[Si](C)(C)c1ccccc1O AB54787 [0,1,0,0,0,0|2,1,0]=4 254 B11R1.87 [B-](c1ccccc1O)(F)(F)F AB42650 [0,1,0,0,0,0|3,0,0]=4 255 B11R1.87 c1cc(c(nc1)S(=O)(=O)N)O MB25486 [0,1,0,0,0,0|2,0,1]=4 256 B11R1.87 c1cc(c(nc1)S(=O)(=O)O)Br MB13751 [0,1,0,0,0,0|3,0,0]=4 257 B11R1.87 c1ccc(c(c1)O)S(=O)(=O)N MB25652 [0,1,0,0,0,0|1,0,1]=3 258 B11R1.87 c1ccc(c(c1)S(=O)(=O)Cl)Br AB02159 [0,1,0,0,0,0|2,0,1]=4 259 B11R1.87 c1ccc(c(c1)S(=O)(=O)N)Br AB04351 [0,1,0,0,0,0|2,0,1]=4 260 B11R1.87 c1cncc(c1N)S(=O)(=O)O AB18016 [0,1,0,0,0,0|3,0,0]=4 261 B11R1.87 c1cncc(c1O)S(=O)(=O)N MB07941 [0,1,0,0,0,0|2,0,1]=4 262 B11R1.87 c1cncc(c1S(=O)(=O)N)O MB32182 [0,1,0,0,0,0|2,0,1]=4 263 B11R1.87 c1cncc(c1S(=O)(=O)O)Br MB13737 [0,1,0,0,0,0|3,0,0]=4 264 B11R1.156 B(c1c(cccc1Br)F)(O)O AB22349 [0,1,0,0,0,0|2,0,1]=4 265 B11R1.156 B(c1c(cccc1C)C)(O)O AB07956 [0,1,0,0,0,0|2,0,1]=4 266 B11R1.156 B(c1c(cccc1Cl)Cl)(O)O AB02605 [0,1,0,0,0,0|2,0,1]=4 267 B11R1.156 B(c1c(cccc1Cl)F)(O)O AB17456 [0,1,0,0,0,0|2,0,1]=4 268 B11R1.156 B(c1c(cccc1F)F)(O)O AB07099 [0,1,0,0,0,0|2,0,1]=4 269 B11R1.156 B(c1c(cccc1I)F)(O)O AB29801 [0,1,0,0,0,0|2,0,1]=4 270 B11R1.156 CC(=O)c1c(ccnc1Br)N AB83821 [0,1,0,0,0,0|3,0,0]=4 271 B11R1.156 CC(=O)c1c(ccnc1Br)O AB84219 [0,1,0,0,0,0|2,0,0]=3 272 B11R1.156 CC(=O)c1c(ccnc1Cl)N AB83824 [0,1,0,0,0,0|3,0,0]=4 273 B11R1.156 CC(=O)c1c(ccnc1Cl)O AB84222 [0,1,0,0,0,0|2,0,0]=3 274 B11R1.156 CC(=O)c1c(ccnc1F)Cl AB83199 [0,1,0,0,0,0|3,0,0]=4 275 B11R1.156 CC(=O)c1c(ccnc1N)O AB84223 [0,1,0,0,0,0|2,0,0]=3 276 B11R1.156 CC(=O)c1c(ccnc1O)Br AB84232 [0,1,0,0,0,0|2,0,0]=3 277 B11R1.156 CC(=O)c1c(ccnc1O)Cl AB84233 [0,1,0,0,0,0|2,0,0]=3 278 B11R1.156 CC(=O)c1c(ccnc1O)N AB84237 [0,1,0,0,0,0|2,0,0]=3 279 B11R1.156 CC(=O)c1c(cncc1Br)N AB83766 [0,1,0,0,0,0|3,0,0]=4 280 B11R1.156 CC(=O)c1c(cncc1Br)O AB84134 [0,1,0,0,0,0|2,0,0]=3 281 B11R1.156 CC(=O)c1c(cncc1Cl)F AB75073 [0,1,0,0,0,0|3,0,0]=4 282 B11R1.156 CC(=O)c1c(cncc1Cl)N AB83767 [0,1,0,0,0,0|3,0,0]=4 283 B11R1.156 CC(=O)c1c(cncc1Cl)O AB84135 [0,1,0,0,0,0|2,0,0]=3 284 B11R1.156 CC(=O)c1c(cncc1N)N AB83770 [0,1,0,0,0,0|3,0,0]=4 285 B11R1.156 CC(=O)c1c(cncc1O)N AB84138 [0,1,0,0,0,0|2,0,0]=3 286 B11R1.156 CC(C)c1c(cccc1Br)O MB22335 [0,1,0,0,0,0|2,0,1]=4 287 B11R1.156 CC(C)c1c(cccc1Cl)O MB22338 [0,1,0,0,0,0|2,0,1]=4 288 B11R1.156 CC(C)c1c(cccc1F)O MB22319 [0,1,0,0,0,0|2,0,1]=4 289 B11R1.156 CC(C)c1c(cccc1I)O MB22320 [0,1,0,0,0,0|2,0,1]=4 290 B11R1.156 CC(C)c1c(cccc1O)N MB22301 [0,1,0,0,0,0|2,0,1]=4 291 B11R1.156 CN(C)c1c(cccc1Br)O MB24668 [0,1,0,0,0,0|3,0,0]=4 292 B11R1.156 CN(C)c1c(cccc1Cl)O MB24669 [0,1,0,0,0,0|3,0,0]=4 293 B11R1.156 CN(C)c1c(cccc1F)O MB24657 [0,1,0,0,0,0|3,0,0]=4 294 B11R1.156 CN(C)c1c(cccc1I)O MB24659 [0,1,0,0,0,0|3,0,0]=4 295 B11R1.156 CN(C)c1c(cccc1O)N MB24642 [0,1,0,0,0,0|3,0,0]=4 296 B11R1.156 Cc1c(c(ccn1)Br)C(=O)O AB66865 [0,1,0,0,0,0|2,0,0]=3 297 B11R1.156 Cc1c(c(ccn1)Cl)C(=O)C AB75127 [0,1,0,0,0,0|3,0,0]=4 298 B11R1.156 Cc1c(c(ccn1)Cl)C(=O)O AB49266 [0,1,0,0,0,0|2,0,0]=3 299 B11R1.156 Cc1c(c(ccn1)F)C(=O)C AB83017 [0,1,0,0,0,0|3,0,0]=4 300 B11R1.156 Cc1c(c(ccn1)F)C(=O)O AB66874 [0,1,0,0,0,0|2,0,0]=3 301 B11R1.156 Cc1c(c(ccn1)N)C(=O)C AB83826 [0,1,0,0,0,0|3,0,0]=4 302 B11R1.156 Cc1c(c(ccn1)O)C(=O)C AB84225 [0,1,0,0,0,0|2,0,0]=3 303 B11R1.156 Cc1c(c(ccn1)O)C(=O)O AB66885 [0,1,0,0,0,0|1,0,0]=2 304 B11R1.156 Cc1c(c(ncn1)C)C(=O)O AB42986 [0,1,0,0,0,0|3,0,0]=4 305 B11R1.156 Cc1cccc(c1C(=O)N)O MB23485 [0,1,0,0,0,0|1,0,0]=2 306 B11R1.156 Cc1cccc(c1C(=O)O)O MB01720 [0,1,0,0,0,0|0,0,0]=1 307 B11R1.156 Cc1cccc(c1C(C)C)O MB22300 [0,1,0,0,0,0|2,0,1]=4 308 B11R1.156 Cc1cccc(c1N(C)C)O MB00361 [0,1,0,0,0,0|3,0,0]=4 309 B11R1.156 Cc1cccc(c1[N+](=O)[O-])Br PB23310 [0,1,0,0,0,0|2,0,1]=4 310 B11R1.156 Cc1cccc(c1[N+](=O)[O-])F MB06236 [0,1,0,0,0,0|2,0,1]=4 311 B11R1.156 Cc1ccnc(c1C(=O)C)C AB76229 [0,1,0,0,0,0|3,0,0]=4 312 B11R1.156 Cc1ccnc(c1C(=O)C)Cl AB83342 [0,1,0,0,0,0|3,0,0]=4 313 B11R1.156 Cc1ccnc(c1C(=O)C)F AB41110 [0,1,0,0,0,0|3,0,0]=4 314 B11R1.156 Cc1ccnc(c1C(=O)C)O AB84238 [0,1,0,0,0,0|2,0,0]=3 315 B11R1.156 Cc1ccnc(c1C(=O)O)Br AB67819 [0,1,0,0,0,0|2,0,0]=3 316 B11R1.156 Cc1ccnc(c1C(=O)O)C AB13832 [0,1,0,0,0,0|2,0,0]=3 317 B11R1.156 Cc1ccnc(c1C(=O)O)C AB21009 [0,1,0,0,0,0|2,0,0]=3 318 B11R1.156 Cc1ccnc(c1C(=O)O)Cl AB64079 [0,1,0,0,0,0|2,0,0]=3 319 B11R1.156 Cc1ccnc(c1C(=O)O)F AB67822 [0,1,0,0,0,0|2,0,0]=3 320 B11R1.156 Cc1ccnc(c1C(=O)O)N AB15101 [0,1,0,0,0,0|2,0,0]=3 321 B11R1.156 Cc1ccnc(c1[N+](=O)[O-])O CB10074 [0,1,0,0,0,0|2,0,1]=4 322 B11R1.156 Cc1cncc(c1C(=O)C)C AB76702 [0,1,0,0,0,0|3,0,0]=4 323 B11R1.156 Cc1cncc(c1C(=O)C)Cl AB75144 [0,1,0,0,0,0|3,0,0]=4 324 B11R1.156 Cc1cncc(c1C(=O)C)F AB75182 [0,1,0,0,0,0|3,0,0]=4 325 B11R1.156 Cc1cncc(c1C(=O)C)N AB83771 [0,1,0,0,0,0|3,0,0]=4 326 B11R1.156 Cc1cncc(c1C(=O)C)O AB84140 [0,1,0,0,0,0|2,0,0]=3 327 B11R1.156 Cc1cncc(c1C(=O)O)C AB55862 [0,1,0,0,0,0|2,0,0]=3 328 B11R1.156 Cc1cncc(c1C(=O)O)Cl AB75141 [0,1,0,0,0,0|2,0,0]=3 329 B11R1.156 Cc1cncc(c1C(=O)O)F AB74901 [0,1,0,0,0,0|2,0,0]=3 330 B11R1.156 Cc1cncc(c1C(=O)O)N AB83392 [0,1,0,0,0,0|2,0,0]=3 331 B11R1.156 c1c(c(c(cn1)Br)C(=O)O)N AB75259 [0,1,0,0,0,0|2,0,0]=3 332 B11R1.156 c1c(c(c(cn1)Cl)C(=O)O)F AB66801 [0,1,0,0,0,0|2,0,0]=3 333 B11R1.156 c1c(c(c(cn1)Cl)C(=O)O)N AB75273 [0,1,0,0,0,0|2,0,0]=3 334 B11R1.156 c1c(c(c(cn1)F)C(=O)O)F AB21238 [0,1,0,0,0,0|2,0,0]=3 335 B11R1.156 c1c(c(c(cn1)N)C(=O)O)N AB83400 [0,1,0,0,0,0|2,0,0]=3 336 B11R1.156 c1cc(c(c(c1)Br)C(=O)O)Cl MB01394 [0,1,0,0,0,0|1,0,0]=2 337 B11R1.156 c1cc(c(c(c1)Br)C(=O)O)F PB24723 [0,1,0,0,0,0|1,0,0]=2 338 B11R1.156 c1cc(c(c(c1)Br)C(=O)O)O MB13463 [0,1,0,0,0,0|0,0,0]=1 339 B11R1.156 c1cc(c(c(c1)Br)[N+](=O)[O-])F MB04477 [0,1,0,0,0,0|2,0,1]=4 340 B11R1.156 c1cc(c(c(c1)Cl)C(=N)N)F AB18302 [0,1,0,0,0,0|3,0,0]=4 341 B11R1.156 c1cc(c(c(c1)Cl)C(=O)N)O MB31636 [0,1,0,0,0,0|1,0,0]=2 342 B11R1.156 c1cc(c(c(c1)Cl)C(=O)O)O MB08537 [0,1,0,0,0,0|0,0,0]=1 343 B11R1.156 c1cc(c(c(c1)F)C(=N)N)F AB18297 [0,1,0,0,0,0|3,0,0]=4 344 B11R1.156 c1cc(c(c(c1)F)C(=O)N)O MB25665 [0,1,0,0,0,0|1,0,0]=2 345 B11R1.156 c1cc(c(c(c1)F)[N+](=O)[O-])N MB04476 [0,1,0,0,0,0|2,0,1]=4 346 B11R1.156 c1cc(c(c(c1)I)C(=O)N)O MB38290 [0,1,0,0,0,0|1,0,0]=2 347 B11R1.156 c1cc(c(c(c1)O)C(=O)N)N MB25426 [0,1,0,0,0,0|1,0,0]=2 348 B11R1.156 c1cc(c(c(c1)O)C(=O)O)N MB25644 [0,1,0,0,0,0|0,0,0]=1 349 B11R1.156 c1cnc(c(c1Br)C(=O)O)Cl AB67961 [0,1,0,0,0,0|2,0,0]=3 350 B11R1.156 c1cnc(c(c1Br)C(=O)O)N AB83474 [0,1,0,0,0,0|2,0,0]=3 351 B11R1.156 c1cnc(c(c1Cl)C(=O)O)Cl PB21990 [0,1,0,0,0,0|2,0,0]=3 352 B11R1.156 c1cnc(c(c1Cl)C(=O)O)F AB70640 [0,1,0,0,0,0|2,0,0]=3 353 B11R1.156 c1cnc(c(c1Cl)C(=O)O)N AB76504 [0,1,0,0,0,0|2,0,0]=3 354 B11R1.156 c1cnc(c(c1F)C(=O)O)Br AB68046 [0,1,0,0,0,0|2,0,0]=3 355 B11R1.156 c1cnc(c(c1F)C(=O)O)Cl AB62791 [0,1,0,0,0,0|2,0,0]=3 356 B11R1.156 c1cnc(c(c1F)C(=O)O)F AB49328 [0,1,0,0,0,0|2,0,0]=3 357 B11R1.156 c1cnc(c(c1I)C(=O)O)Cl AB21846 [0,1,0,0,0,0|2,0,0]=3 358 B11R1.156 c1cnc(c(c1N)C(=O)O)Br AB68111 [0,1,0,0,0,0|2,0,0]=3 359 B11R1.156 c1cnc(c(c1N)C(=O)O)Cl PB30056 [0,1,0,0,0,0|2,0,0]=3 360 B11R1.156 c1cnc(c(c1N)C(=O)O)N AB83473 [0,1,0,0,0,0|2,0,0]=3 361 B11R1.156 c1cnc(c(c1O)[N+](=O)[O-])Cl AB42470 [0,1,0,0,0,0|2,0,1]=4 362 B11R1.159 B(c1cccc(c1C)C)(O)O AB10380 [0,1,0,0,0,0|2,0,1]=4 363 B11R1.159 B(c1cccc(c1C)Cl)(O)O AB20315 [0,1,0,0,0,0|2,0,1]=4 364 B11R1.159 B(c1cccc(c1C)F)(O)O AB32063 [0,1,0,0,0,0|2,0,1]=4 365 B11R1.159 B(c1cccc(c1Cl)C)(O)O AB29563 [0,1,0,0,0,0|2,0,1]=4 366 B11R1.159 B(c1cccc(c1Cl)Cl)(O)O AB08167 [0,1,0,0,0,0|2,0,1]=4 367 B11R1.159 B(c1cccc(c1Cl)F)(O)O AB30665 [0,1,0,0,0,0|2,0,1]=4 368 B11R1.159 B(c1cccc(c1F)Br)(O)O AB22326 [0,1,0,0,0,0|2,0,1]=4 369 B11R1.159 B(c1cccc(c1F)C)(O)O AB23826 [0,1,0,0,0,0|2,0,1]=4 370 B11R1.159 B(c1cccc(c1F)Cl)(O)O AB22315 [0,1,0,0,0,0|2,0,1]=4 371 B11R1.159 B(c1cccc(c1F)F)(O)O AB10313 [0,1,0,0,0,0|2,0,1]=4 372 B11R1.159 B(c1cccc(c1F)I)(O)O AB22344 [0,1,0,0,0,0|2,0,1]=4 373 B11R1.159 B(c1cccc(c1F)O)(O)O AB29567 [0,1,0,0,0,0|2,0,1]=4 374 B11R1.159 B(c1cccc(c1O)C)(O)O AB48273 [0,1,0,0,0,0|1,0,1]=3 375 B11R1.159 B(c1cccc(c1O)Cl)(O)O AB48275 [0,1,0,0,0,0|1,0,1]=3 376 B11R1.159 B(c1cccc(c1O)F)(O)O AB42638 [0,1,0,0,0,0|1,0,1]=3 377 B11R1.159 B(c1ccnc(c1O)Cl)(O)O AB71206 [0,1,0,0,0,0|2,0,1]=4 378 B11R1.159 B(c1cncc(c1O)Cl)(O)O AB84023 [0,1,0,0,0,0|2,0,1]=4 379 B11R1.159 CC(=O)c1c(c(ccn1)Br)N AB83862 [0,1,0,0,0,0|3,0,0]=4 380 B11R1.159 CC(=O)c1c(c(ccn1)Br)O AB84339 [0,1,0,0,0,0|2,0,0]=3 381 B11R1.159 CC(=O)c1c(c(ccn1)Cl)F AB83138 [0,1,0,0,0,0|3,0,0]=4 382 B11R1.159 CC(=O)c1c(c(ccn1)Cl)N AB83864 [0,1,0,0,0,0|3,0,0]=4 383 B11R1.159 CC(=O)c1c(c(ccn1)Cl)O AB75015 [0,1,0,0,0,0|2,0,0]=3 384 B11R1.159 CC(=O)c1c(c(ccn1)F)Cl AB83004 [0,1,0,0,0,0|3,0,0]=4 385 B11R1.159 CC(=O)c1c(c(ccn1)N)O AB84343 [0,1,0,0,0,0|2,0,0]=3 386 B11R1.159 CC(=O)c1c(c(ccn1)O)Cl AB75008 [0,1,0,0,0,0|3,0,0]=4 387 B11R1.159 CC(=O)c1cccc(c1F)Br PB23641 [0,1,0,0,0,0|2,0,0]=3 388 B11R1.159 CC(=O)c1cccc(c1F)O AB69664 [0,1,0,0,0,0|2,0,0]=3 389 B11R1.159 CC(=O)c1cccc(c1O)Br AB43855 [0,1,0,0,0,0|1,0,0]=2 390 B11R1.159 CC(=O)c1ccnc(c1Cl)Cl AB69726 [0,1,0,0,0,0|3,0,0]=4 391 B11R1.159 CC(=O)c1ccnc(c1Cl)F AB75067 [0,1,0,0,0,0|3,0,0]=4 392 B11R1.159 CC(=O)c1ccnc(c1Cl)N AB83933 [0,1,0,0,0,0|3,0,0]=4 393 B11R1.159 CC(=O)c1ccnc(c1Cl)O AB84065 [0,1,0,0,0,0|3,0,0]=4 394 B11R1.159 CC(=O)c1ccnc(c1F)Cl AB75070 [0,1,0,0,0,0|3,0,0]=4 395 B11R1.159 CC(=O)c1ccnc(c1N)Br AB83761 [0,1,0,0,0,0|3,0,0]=4 396 B11R1.159 CC(=O)c1ccnc(c1N)Cl AB14188 [0,1,0,0,0,0|3,0,0]=4 397 B11R1.159 CC(=O)c1ccnc(c1N)N AB83764 [0,1,0,0,0,0|3,0,0]=4 398 B11R1.159 CC(=O)c1ccnc(c1O)Br AB84119 [0,1,0,0,0,0|2,0,0]=3 399 B11R1.159 CC(=O)c1ccnc(c1O)Cl AB74852 [0,1,0,0,0,0|2,0,0]=3 400 B11R1.159 CC(=O)c1ccnc(c1O)N AB84121 [0,1,0,0,0,0|2,0,0]=3 401 B11R1.159 CC(=O)c1cncc(c1Cl)F AB83147 [0,1,0,0,0,0|3,0,0]=4 402 B11R1.159 CC(=O)c1cncc(c1Cl)N AB83878 [0,1,0,0,0,0|3,0,0]=4 403 B11R1.159 CC(=O)c1cncc(c1Cl)O AB83996 [0,1,0,0,0,0|3,0,0]=4 404 B11R1.159 CC(=O)c1cncc(c1F)Cl AB82971 [0,1,0,0,0,0|3,0,0]=4 405 B11R1.159 CC(=O)c1cncc(c1N)Br AB83798 [0,1,0,0,0,0|3,0,0]=4 406 B11R1.159 CC(=O)c1cncc(c1N)Cl AB83801 [0,1,0,0,0,0|3,0,0]=4 407 B11R1.159 CC(=O)c1cncc(c1N)N AB83806 [0,1,0,0,0,0|3,0,0]=4 408 B11R1.159 CC(=O)c1cncc(c1O)Br AB84178 [0,1,0,0,0,0|2,0,0]=3 409 B11R1.159 CC(=O)c1cncc(c1O)Cl AB84029 [0,1,0,0,0,0|2,0,0]=3 410 B11R1.159 CC(=O)c1cncc(c1O)N AB84182 [0,1,0,0,0,0|2,0,0]=3 411 B11R1.159 CC(C)c1cccc(c1O)Br MB22674 [0,1,0,0,0,0|2,0,1]=4 412 B11R1.159 CC(C)c1cccc(c1O)Cl MB22677 [0,1,0,0,0,0|2,0,1]=4 413 B11R1.159 CC(C)c1cccc(c1O)F MB22618 [0,1,0,0,0,0|2,0,1]=4 414 B11R1.159 CC(C)c1cccc(c1O)I MB22620 [0,1,0,0,0,0|2,0,1]=4 415 B11R1.159 CC(C)c1cccc(c1O)N MB06197 [0,1,0,0,0,0|2,0,1]=4 416 B11R1.159 CN(C)c1cccc(c1O)Br MB24976 [0,1,0,0,0,0|3,0,0]=4 417 B11R1.159 CN(C)c1cccc(c1O)Cl MB24979 [0,1,0,0,0,0|3,0,0]=4 418 B11R1.159 CN(C)c1cccc(c1O)F MB24926 [0,1,0,0,0,0|3,0,0]=4 419 B11R1.159 CN(C)c1cccc(c1O)I MB24928 [0,1,0,0,0,0|3,0,0]=4 420 B11R1.159 CN(C)c1cccc(c1O)N MB24934 [0,1,0,0,0,0|3,0,0]=4 421 B11R1.159 Cc1c(c(ccn1)C(=O)C)Br AB41128 [0,1,0,0,0,0|3,0,0]=4 422 B11R1.159 Cc1c(c(ccn1)C(=O)C)Cl AB83308 [0,1,0,0,0,0|3,0,0]=4 423 B11R1.159 Cc1c(c(ccn1)C(=O)C)N AB41124 [0,1,0,0,0,0|3,0,0]=4 424 B11R1.159 Cc1c(c(ccn1)C(=O)C)O AB75262 [0,1,0,0,0,0|2,0,0]=3 425 B11R1.159 Cc1c(c(ccn1)C(=O)O)Cl AB71251 [0,1,0,0,0,0|2,0,0]=3 426 B11R1.159 Cc1c(c(ccn1)C(=O)O)N AB70614 [0,1,0,0,0,0|2,0,0]=3 427 B11R1.159 Cc1c(cccc1O)C(=O)N MB23343 [0,1,0,0,0,0|2,0,0]=3 428 B11R1.159 Cc1c(ccnc1C(=O)C)Cl AB75838 [0,1,0,0,0,0|3,0,0]=4 429 B11R1.159 Cc1c(ccnc1C(=O)C)F AB82924 [0,1,0,0,0,0|3,0,0]=4 430 B11R1.159 Cc1c(ccnc1C(=O)O)Cl AB52815 [0,1,0,0,0,0|2,0,0]=3 431 B11R1.159 Cc1c(ccnc1C(=O)O)F AB74897 [0,1,0,0,0,0|2,0,0]=3 432 B11R1.159 Cc1c(ccnc1Cl)C(=O)C AB74659 [0,1,0,0,0,0|3,0,0]=4 433 B11R1.159 Cc1c(ccnc1Cl)C(=O)O AB71250 [0,1,0,0,0,0|2,0,0]=3 434 B11R1.159 Cc1c(ccnc1F)C(=O)C AB82852 [0,1,0,0,0,0|3,0,0]=4 435 B11R1.159 Cc1c(ccnc1F)C(=O)O AB71345 [0,1,0,0,0,0|2,0,0]=3 436 B11R1.159 Cc1c(cncc1Cl)C(=O)C AB83284 [0,1,0,0,0,0|3,0,0]=4 437 B11R1.159 Cc1c(cncc1Cl)C(=O)O AB41997 [0,1,0,0,0,0|2,0,0]=3 438 B11R1.159 Cc1c(nccc1C(=O)C)C AB55628 [0,1,0,0,0,0|3,0,0]=4 439 B11R1.159 Cc1c(nccc1C(=O)O)C AB63167 [0,1,0,0,0,0|2,0,0]=3 440 B11R1.159 Cc1cccc(c1F)[N+](=O)[O-] AB14386 [0,1,0,0,0,0|2,0,1]=4 441 B11R1.159 Cc1cccc(c1N)C(=O)O AB00891 [0,1,0,0,0,0|1,0,0]=2 442 B11R1.159 Cc1cccc(c1O)C(=O)N MB01077 [0,1,0,0,0,0|1,0,0]=2 443 B11R1.159 Cc1cccc(c1O)C(C)C MB01563 [0,1,0,0,0,0|2,0,1]=4 444 B11R1.159 Cc1cccc(c1O)N(C)C MB23472 [0,1,0,0,0,0|3,0,0]=4 445 B11R1.159 Cc1ccnc(c1C)C(=O)C AB50233 [0,1,0,0,0,0|3,0,0]=4 446 B11R1.159 Cc1ccnc(c1C)C(=O)O AB75404 [0,1,0,0,0,0|2,0,0]=3 447 B11R1.159 Cc1ccnc(c1Cl)C(=O)C AB83298 [0,1,0,0,0,0|3,0,0]=4 448 B11R1.159 Cc1ccnc(c1Cl)C(=O)O AB74922 [0,1,0,0,0,0|2,0,0]=3 449 B11R1.159 Cc1ccnc(c1N)C(=O)C AB83869 [0,1,0,0,0,0|3,0,0]=4 450 B11R1.159 Cc1ccnc(c1N)C(=O)O AB66557 [0,1,0,0,0,0|2,0,0]=3 451 B11R1.159 Cc1ccnc(c1O)C(=O)C AB84344 [0,1,0,0,0,0|2,0,0]=3 452 B11R1.159 Cc1cncc(c1C)C(=O)C AB75501 [0,1,0,0,0,0|3,0,0]=4 453 B11R1.159 Cc1cncc(c1C)C(=O)O AB66692 [0,1,0,0,0,0|2,0,0]=3 454 B11R1.159 Cc1cncc(c1Cl)C(=O)C AB83264 [0,1,0,0,0,0|3,0,0]=4 455 B11R1.159 Cc1cncc(c1Cl)C(=O)O AB74918 [0,1,0,0,0,0|2,0,0]=3 456 B11R1.159 Cc1cncc(c1F)C(=O)C AB75177 [0,1,0,0,0,0|3,0,0]=4 457 B11R1.159 Cc1cncc(c1F)C(=O)O AB74900 [0,1,0,0,0,0|2,0,0]=3 458 B11R1.159 Cc1cncc(c1N)C(=O)C AB83808 [0,1,0,0,0,0|3,0,0]=4 459 B11R1.159 Cc1cncc(c1N)C(=O)O AB75852 [0,1,0,0,0,0|2,0,0]=3 460 B11R1.159 Cc1cncc(c1O)C(=O)C AB84183 [0,1,0,0,0,0|2,0,0]=3 461 B11R1.159 Cn1cccc(c1=O)C(=O)O PB12189 [0,1,0,0,0,0|1,0,1]=3 462 B11R1.159 c1c(c(c(cn1)Br)N)C(=O)O AB53577 [0,1,0,0,0,0|2,0,0]=3 463 B11R1.159 c1c(c(c(cn1)Br)O)[N+](=O)[O-] AB48391 [0,1,0,0,0,0|2,0,1]=4 464 B11R1.159 c1c(c(c(cn1)Cl)F)C(=O)O AB74903 [0,1,0,0,0,0|2,0,0]=3 465 B11R1.159 c1c(c(c(cn1)Cl)N)C(=O)O AB53579 [0,1,0,0,0,0|2,0,0]=3 466 B11R1.159 c1c(c(c(cn1)Cl)O)C(=O)O AB74884 [0,1,0,0,0,0|1,0,0]=2 467 B11R1.159 c1c(c(c(cn1)F)Cl)C(=O)O AB74905 [0,1,0,0,0,0|2,0,0]=3 468 B11R1.159 c1c(c(c(cn1)N)Cl)C(=O)O AB83881 [0,1,0,0,0,0|2,0,0]=3 469 B11R1.159 c1c(c(c(cn1)N)N)C(=O)O AB83440 [0,1,0,0,0,0|2,0,0]=3 470 B11R1.159 c1c(c(c(cn1)O)Cl)C(=O)O AB74891 [0,1,0,0,0,0|2,0,0]=3 471 B11R1.159 c1cc(c(c(c1)Br)F)C(=O)O PB18506 [0,1,0,0,0,0|1,0,0]=2 472 B11R1.159 c1cc(c(c(c1)Br)N)C(=O)O AB15588 [0,1,0,0,0,0|1,0,0]=2 473 B11R1.159 c1cc(c(c(c1)Br)O)C(=O)N MB00430 [0,1,0,0,0,0|1,0,0]=2 474 B11R1.159 c1cc(c(c(c1)Cl)Cl)C(=N)N AB18396 [0,1,0,0,0,0|3,0,0]=4 475 B11R1.159 c1cc(c(c(c1)Cl)F)C(=O)O AB01929 [0,1,0,0,0,0|1,0,0]=2 476 B11R1.159 c1cc(c(c(c1)Cl)I)C(=O)O AB30453 [0,1,0,0,0,0|1,0,0]=2 477 B11R1.159 c1cc(c(c(c1)Cl)N)C(=O)O AB03731 [0,1,0,0,0,0|1,0,0]=2 478 B11R1.159 c1cc(c(c(c1)Cl)N)[N+](=O)[O-] AB04408 [0,1,0,0,0,0|2,0,1]=4 479 B11R1.159 c1cc(c(c(c1)Cl)O)C(=O)N MB08413 [0,1,0,0,0,0|1,0,0]=2 480 B11R1.159 c1cc(c(c(c1)F)F)C(=N)N AB18344 [0,1,0,0,0,0|3,0,0]=4 481 B11R1.159 c1cc(c(c(c1)F)N)C(=O)O AB09241 [0,1,0,0,0,0|1,0,0]=2 482 B11R1.159 c1cc(c(c(c1)F)O)C(=O)N MB25617 [0,1,0,0,0,0|1,0,0]=2 483 B11R1.159 c1cc(c(c(c1)F)O)C(=O)O AB04085 [0,1,0,0,0,0|0,0,0]=1 484 B11R1.159 c1cc(c(c(c1)I)O)C(=O)N MB33272 [0,1,0,0,0,0|1,0,0]=2 485 B11R1.159 c1cc(c(c(c1)I)O)C(=O)O MB25549 [0,1,0,0,0,0|0,0,0]=1 486 B11R1.159 c1cc(c(c(c1)N)O)C(=O)N MB25600 [0,1,0,0,0,0|1,0,0]=2 487 B11R1.159 c1cc(c(c(c1)N)O)C(=O)O AB01026 [0,1,0,0,0,0|0,0,0]=1 488 B11R1.159 c1cc(c(c(c1)O)Br)C(=O)O MB08513 [0,1,0,0,0,0|1,0,0]=2 489 B11R1.159 c1cc(c(c(c1)O)Br)[N+](=O)[O-] MB06573 [0,1,0,0,0,0|2,0,1]=4 490 B11R1.159 c1cc(c(c(c1)O)Cl)C(=O)N MB27431 [0,1,0,0,0,0|2,0,0]=3 491 B11R1.159 c1cc(c(c(c1)O)Cl)C(=O)O AB50521 [0,1,0,0,0,0|1,0,0]=2 492 B11R1.159 c1cc(c(c(c1)O)Cl)[N+](=O)[O-] MB09030 [0,1,0,0,0,0|2,0,1]=4 493 B11R1.159 c1cc(c(c(c1)O)F)C(=O)N MB25557 [0,1,0,0,0,0|2,0,0]=3 494 B11R1.159 c1cc(c(c(c1)O)F)C(=O)O AB10200 [0,1,0,0,0,0|1,0,0]=2 495 B11R1.159 c1cc(c(c(c1)O)I)C(=O)O MB26583 [0,1,0,0,0,0|1,0,0]=2 496 B11R1.159 c1cc(c(c(c1)O)N)C(=O)N MB36976 [0,1,0,0,0,0|2,0,0]=3 497 B11R1.159 c1cc(c(c(c1)[N+](=O)[O-])O)N AB12699 [0,1,0,0,0,0|1,0,1]=3 498 B11R1.159 c1cnc(c(c1Br)N)C(=O)O AB83572 [0,1,0,0,0,0|2,0,0]=3 499 B11R1.159 c1cnc(c(c1C(=O)N)N)Cl AB14191 [0,1,0,0,0,0|3,0,0]=4 500 B11R1.159 c1cnc(c(c1C(=O)O)Cl)Cl CB10568 [0,1,0,0,0,0|2,0,0]=3 501 B11R1.159 c1cnc(c(c1C(=O)O)Cl)F AB49339 [0,1,0,0,0,0|2,0,0]=3 502 B11R1.159 c1cnc(c(c1C(=O)O)Cl)N AB83934 [0,1,0,0,0,0|2,0,0]=3 503 B11R1.159 c1cnc(c(c1C(=O)O)Cl)O AB66802 [0,1,0,0,0,0|2,0,0]=3 504 B11R1.159 c1cnc(c(c1C(=O)O)F)Cl AB17057 [0,1,0,0,0,0|2,0,0]=3 505 B11R1.159 c1cnc(c(c1C(=O)O)F)F PB18941 [0,1,0,0,0,0|2,0,0]=3 506 B11R1.159 c1cnc(c(c1C(=O)O)I)Br AB31097 [0,1,0,0,0,0|2,0,0]=3 507 B11R1.159 c1cnc(c(c1C(=O)O)N)Br AB71716 [0,1,0,0,0,0|2,0,0]=3 508 B11R1.159 c1cnc(c(c1C(=O)O)N)Cl AB70618 [0,1,0,0,0,0|2,0,0]=3 509 B11R1.159 c1cnc(c(c1C(=O)O)N)N AB63396 [0,1,0,0,0,0|2,0,0]=3 510 B11R1.159 c1cnc(c(c1C(=O)O)O)Br AB69694 [0,1,0,0,0,0|1,0,0]=2 511 B11R1.159 c1cnc(c(c1C(=O)O)O)Cl AB14198 [0,1,0,0,0,0|1,0,0]=2 512 B11R1.159 c1cnc(c(c1Cl)Cl)C(=O)O AB10183 [0,1,0,0,0,0|2,0,0]=3 513 B11R1.159 c1cnc(c(c1Cl)F)C(=O)O AB70765 [0,1,0,0,0,0|2,0,0]=3 514 B11R1.159 c1cnc(c(c1Cl)N)C(=O)O AB83574 [0,1,0,0,0,0|2,0,0]=3 515 B11R1.159 c1cnc(c(c1Cl)O)C(=O)O AB76139 [0,1,0,0,0,0|1,0,0]=2 516 B11R1.159 c1cnc(c(c1F)Cl)C(=O)O AB74915 [0,1,0,0,0,0|2,0,0]=3 517 B11R1.159 c1cnc(c(c1O)Cl)C(=O)O AB74889 [0,1,0,0,0,0|2,0,0]=3 518 B11R1.166 B(c1ccc(cc1C)Br)(O)O AB71470 [0,1,0,0,0,0|2,0,1]=4 519 B11R1.166 B(c1ccc(cc1C)C)(O)O AB12317 [0,1,0,0,0,0|2,0,1]=4 520 B11R1.166 B(c1ccc(cc1C)Cl)(O)O AB12322 [0,1,0,0,0,0|2,0,1]=4 521 B11R1.166 B(c1ccc(cc1C)F)(O)O AB10764 [0,1,0,0,0,0|2,0,1]=4 522 B11R1.166 B(c1ccc(cc1C)O)(O)O AB16000 [0,1,0,0,0,0|2,0,1]=4 523 B11R1.166 B(c1ccc(cc1Cl)C)(O)O AB14287 [0,1,0,0,0,0|2,0,1]=4 524 B11R1.166 B(c1ccc(cc1Cl)Cl)(O)O AB01132 [0,1,0,0,0,0|2,0,1]=4 525 B11R1.166 B(c1ccc(cc1Cl)F)(O)O AB12605 [0,1,0,0,0,0|2,0,1]=4 526 B11R1.166 B(c1ccc(cc1Cl)O)(O)O AB12627 [0,1,0,0,0,0|2,0,1]=4 527 B11R1.166 B(c1ccc(cc1F)Br)(O)O AB08626 [0,1,0,0,0,0|2,0,1]=4 528 B11R1.166 B(c1ccc(cc1F)C)(O)O PB26163 [0,1,0,0,0,0|2,0,1]=4 529 B11R1.166 B(c1ccc(cc1F)Cl)(O)O AB12601 [0,1,0,0,0,0|2,0,1]=4 530 B11R1.166 B(c1ccc(cc1F)F)(O)O AB08813 [0,1,0,0,0,0|2,0,1]=4 531 B11R1.166 B(c1ccc(cc1F)I)(O)O AB10768 [0,1,0,0,0,0|2,0,1]=4 532 B11R1.166 B(c1ccc(cc1F)N)(O)O AB59538 [0,1,0,0,0,0|2,0,1]=4 533 B11R1.166 B(c1ccc(cc1N)Br)(O)O AB27555 [0,1,0,0,0,0|2,0,1]=4 534 B11R1.166 B(c1ccc(cc1O)C)(O)O PB11677 [0,1,0,0,0,0|1,0,1]=3 535 B11R1.166 B(c1ccc(cc1O)F)(O)O AB20352 [0,1,0,0,0,0|1,0,1]=3 536 B11R1.166 CC(=O)c1c(cc(cn1)Br)Br AB43404 [0,1,0,0,0,0|3,0,0]=4 537 B11R1.166 CC(=O)c1c(cc(cn1)Br)N AB77139 [0,1,0,0,0,0|3,0,0]=4 538 B11R1.166 CC(=O)c1c(cc(cn1)Br)O AB84315 [0,1,0,0,0,0|2,0,0]=3 539 B11R1.166 CC(=O)c1c(cc(cn1)Cl)F AB75038 [0,1,0,0,0,0|3,0,0]=4 540 B11R1.166 CC(=O)c1c(cc(cn1)Cl)N AB73056 [0,1,0,0,0,0|3,0,0]=4 541 B11R1.166 CC(=O)c1c(cc(cn1)Cl)O AB75011 [0,1,0,0,0,0|2,0,0]=3 542 B11R1.166 CC(=O)c1c(cc(cn1)F)Cl AB74653 [0,1,0,0,0,0|3,0,0]=4 543 B11R1.166 CC(=O)c1c(cc(cn1)F)N AB77154 [0,1,0,0,0,0|3,0,0]=4 544 B11R1.166 CC(=O)c1c(cc(cn1)N)N AB83853 [0,1,0,0,0,0|3,0,0]=4 545 B11R1.166 CC(=O)c1c(cc(cn1)N)O AB84318 [0,1,0,0,0,0|2,0,0]=3 546 B11R1.166 CC(=O)c1ccc(cc1F)Br MB02747 [0,1,0,0,0,0|2,0,0]=3 547 B11R1.166 CC(=O)c1ccc(cc1F)N MB05492 [0,1,0,0,0,0|2,0,0]=3 548 B11R1.166 CC(=O)c1ccc(cc1O)Br AB15427 [0,1,0,0,0,0|1,0,0]=2 549 B11R1.166 CC(=O)c1ccc(nc1Cl)Cl AB64664 [0,1,0,0,0,0|3,0,0]=4 550 B11R1.166 CC(=O)c1ccc(nc1F)Br AB72629 [0,1,0,0,0,0|3,0,0]=4 551 B11R1.166 CC(=O)c1ccc(nc1F)Cl AB72627 [0,1,0,0,0,0|3,0,0]=4 552 B11R1.166 CC(=O)c1ccc(nc1N)Br AB83837 [0,1,0,0,0,0|3,0,0]=4 553 B11R1.166 CC(=O)c1ccc(nc1N)Cl AB75425 [0,1,0,0,0,0|3,0,0]=4 554 B11R1.166 CC(=O)c1ccc(nc1N)N AB83840 [0,1,0,0,0,0|3,0,0]=4 555 B11R1.166 CC(=O)c1ccc(nc1O)Br AB84273 [0,1,0,0,0,0|2,0,0]=3 556 B11R1.166 CC(=O)c1ccc(nc1O)Cl AB72633 [0,1,0,0,0,0|2,0,0]=3 557 B11R1.166 CC(=O)c1ccc(nc1O)N AB84276 [0,1,0,0,0,0|2,0,0]=3 558 B11R1.166 CC(=O)c1cnc(cc1Cl)Cl AB13863 [0,1,0,0,0,0|3,0,0]=4 559 B11R1.166 CC(=O)c1cnc(cc1Cl)F AB71566 [0,1,0,0,0,0|3,0,0]=4 560 B11R1.166 CC(=O)c1cnc(cc1N)Br AB63704 [0,1,0,0,0,0|3,0,0]=4 561 B11R1.166 CC(=O)c1cnc(cc1N)Cl AB83812 [0,1,0,0,0,0|3,0,0]=4 562 B11R1.166 CC(=O)c1cnc(cc1O)Br AB72643 [0,1,0,0,0,0|2,0,0]=3 563 B11R1.166 CC(=O)c1cnc(cc1O)Cl AB84198 [0,1,0,0,0,0|2,0,0]=3 564 B11R1.166 CC(=O)c1cnc(cc1O)N AB84199 [0,1,0,0,0,0|2,0,0]=3 565 B11R1.166 CC(=O)c1cnc(nc1O)Cl AB76992 [0,1,0,0,0,0|3,0,0]=4 566 B11R1.166 CC(C)c1ccc(cc1O)Br MB22598 [0,1,0,0,0,0|2,0,1]=4 567 B11R1.166 CC(C)c1ccc(cc1O)Cl MB22600 [0,1,0,0,0,0|2,0,1]=4 568 B11R1.166 CC(C)c1ccc(cc1O)F MB22513 [0,1,0,0,0,0|2,0,1]=4 569 B11R1.166 CC(C)c1ccc(cc1O)I MB22516 [0,1,0,0,0,0|2,0,1]=4 570 B11R1.166 CC(C)c1ccc(cc1O)N MB22522 [0,1,0,0,0,0|2,0,1]=4 571 B11R1.166 CN(C)c1ccc(cc1O)Br MB24904 [0,1,0,0,0,0|3,0,0]=4 572 B11R1.166 CN(C)c1ccc(cc1O)Cl MB24909 [0,1,0,0,0,0|3,0,0]=4 573 B11R1.166 CN(C)c1ccc(cc1O)F MB24817 [0,1,0,0,0,0|3,0,0]=4 574 B11R1.166 CN(C)c1ccc(cc1O)I MB24820 [0,1,0,0,0,0|3,0,0]=4 575 B11R1.166 CN(C)c1ccc(cc1O)N MB24828 [0,1,0,0,0,0|3,0,0]=4 576 B11R1.166 Cc1c(ccc(n1)Br)C(=O)O AB66864 [0,1,0,0,0,0|2,0,0]=3 577 B11R1.166 Cc1c(ccc(n1)Cl)C(=O)C AB11952 [0,1,0,0,0,0|3,0,0]=4 578 B11R1.166 Cc1c(ccc(n1)Cl)C(=O)O AB53710 [0,1,0,0,0,0|2,0,0]=3 579 B11R1.166 Cc1c(ccc(n1)F)C(=O)O AB21743 [0,1,0,0,0,0|2,0,0]=3 580 B11R1.166 Cc1c(ccc(n1)N)C(=O)O AB49780 [0,1,0,0,0,0|2,0,0]=3 581 B11R1.166 Cc1c(ccc(n1)O)C(=O)O AB54497 [0,1,0,0,0,0|2,0,0]=3 582 B11R1.166 Cc1c(cnc(n1)C)C(=O)O AB41920 [0,1,0,0,0,0|3,0,0]=4 583 B11R1.166 Cc1c(cnc(n1)Cl)C(=O)O AB53772 [0,1,0,0,0,0|3,0,0]=4 584 B11R1.166 Cc1c(ncc(n1)Br)C(=O)O AB85708 [0,1,0,0,0,0|3,0,0]=4 585 B11R1.166 Cc1c(ncc(n1)Cl)C(=O)O AB85679 [0,1,0,0,0,0|3,0,0]=4 586 B11R1.166 Cc1cc(c(cn1)C(=O)C)Cl AB64940 [0,1,0,0,0,0|3,0,0]=4 587 B11R1.166 Cc1cc(c(cn1)C(=O)C)F AB83044 [0,1,0,0,0,0|3,0,0]=4 588 B11R1.166 Cc1cc(c(cn1)C(=O)C)N AB50225 [0,1,0,0,0,0|3,0,0]=4 589 B11R1.166 Cc1cc(c(cn1)C(=O)C)O AB75251 [0,1,0,0,0,0|2,0,0]=3 590 B11R1.166 Cc1cc(c(cn1)C(=O)O)Br AB66861 [0,1,0,0,0,0|2,0,0]=3 591 B11R1.166 Cc1cc(c(cn1)C(=O)O)Cl PB14950 [0,1,0,0,0,0|2,0,0]=3 592 B11R1.166 Cc1cc(c(cn1)C(=O)O)F AB66872 [0,1,0,0,0,0|2,0,0]=3 593 B11R1.166 Cc1cc(c(cn1)C(=O)O)N PB15110 [0,1,0,0,0,0|2,0,0]=3 594 B11R1.166 Cc1cc(c(cn1)C(=O)O)O AB17044 [0,1,0,0,0,0|1,0,0]=2 595 B11R1.166 Cc1cc(c(nc1)C(=O)C)C AB50219 [0,1,0,0,0,0|3,0,0]=4 596 B11R1.166 Cc1cc(c(nc1)C(=O)C)Cl AB75090 [0,1,0,0,0,0|3,0,0]=4 597 B11R1.166 Cc1cc(c(nc1)C(=O)C)F AB75164 [0,1,0,0,0,0|3,0,0]=4 598 B11R1.166 Cc1cc(c(nc1)C(=O)C)N AB77150 [0,1,0,0,0,0|3,0,0]=4 599 B11R1.166 Cc1cc(c(nc1)C(=O)C)O AB75244 [0,1,0,0,0,0|2,0,0]=3 600 B11R1.166 Cc1cc(c(nc1)C(=O)O)C AB53520 [0,1,0,0,0,0|2,0,0]=3 601 B11R1.166 Cc1cc(c(nc1)C(=O)O)Cl AB74925 [0,1,0,0,0,0|2,0,0]=3 602 B11R1.166 Cc1cc(c(nc1)C(=O)O)F PB30310 [0,1,0,0,0,0|2,0,0]=3 603 B11R1.166 Cc1cc(c(nc1)C(=O)O)N AB66555 [0,1,0,0,0,0|2,0,0]=3 604 B11R1.166 Cc1cc(ccc1C(=N)N)Br AB18383 [0,1,0,0,0,0|3,0,0]=4 605 B11R1.166 Cc1cc(ccc1C(=O)N)O MB23401 [0,1,0,0,0,0|2,0,0]=3 606 B11R1.166 Cc1cc(ccc1[N+](=O)[O-])Br MB00735 [0,1,0,0,0,0|2,0,1]=4 607 B11R1.166 Cc1cc(cnc1C(=O)C)Cl AB75124 [0,1,0,0,0,0|3,0,0]=4 608 B11R1.166 Cc1cc(cnc1C(=O)C)F AB74622 [0,1,0,0,0,0|3,0,0]=4 609 B11R1.166 Cc1cc(cnc1C(=O)O)Br AB41227 [0,1,0,0,0,0|2,0,0]=3 610 B11R1.166 Cc1cc(cnc1C(=O)O)Cl AB41233 [0,1,0,0,0,0|2,0,0]=3 611 B11R1.166 Cc1cc(cnc1C(=O)O)F AB74795 [0,1,0,0,0,0|2,0,0]=3 612 B11R1.166 Cc1cc(cnc1C(=O)O)N AB41220 [0,1,0,0,0,0|2,0,0]=3 613 B11R1.166 Cc1cc(ncc1C(=O)C)C AB50221 [0,1,0,0,0,0|3,0,0]=4 614 B11R1.166 Cc1cc(ncc1C(=O)C)Cl AB83349 [0,1,0,0,0,0|3,0,0]=4 615 B11R1.166 Cc1cc(ncc1C(=O)C)F AB83065 [0,1,0,0,0,0|3,0,0]=4 616 B11R1.166 Cc1cc(ncc1C(=O)O)Br AB67818 [0,1,0,0,0,0|2,0,0]=3 617 B11R1.166 Cc1cc(ncc1C(=O)O)C AB05232 [0,1,0,0,0,0|2,0,0]=3 618 B11R1.166 Cc1cc(ncc1C(=O)O)Cl AB65755 [0,1,0,0,0,0|2,0,0]=3 619 B11R1.166 Cc1cc(ncc1C(=O)O)F AB49982 [0,1,0,0,0,0|2,0,0]=3 620 B11R1.166 Cc1cc(ncc1C(=O)O)N AB53293 [0,1,0,0,0,0|2,0,0]=3 621 B11R1.166 Cc1cc(ncc1C(=O)O)O AB65757 [0,1,0,0,0,0|2,0,0]=3 622 B11R1.166 Cc1ccc(c(c1)C)C(=N)N AB18393 [0,1,0,0,0,0|3,0,0]=4 623 B11R1.166 Cc1ccc(c(c1)Cl)C(=N)N AB18279 [0,1,0,0,0,0|3,0,0]=4 624 B11R1.166 Cc1ccc(c(c1)O)C(=O)N MB02488 [0,1,0,0,0,0|1,0,0]=2 625 B11R1.166 Cc1ccc(c(c1)O)C(C)C MB00129 [0,1,0,0,0,0|2,0,1]=4 626 B11R1.166 Cc1ccc(c(c1)O)N(C)C MB23428 [0,1,0,0,0,0|3,0,0]=4 627 B11R1.166 Cc1ccc(c(n1)Br)C(=O)O AB68156 [0,1,0,0,0,0|2,0,0]=3 628 B11R1.166 Cc1ccc(c(n1)C)C(=O)O AB27627 [0,1,0,0,0,0|2,0,0]=3 629 B11R1.166 Cc1ccc(c(n1)Cl)C(=O)C AB64666 [0,1,0,0,0,0|3,0,0]=4 630 B11R1.166 Cc1ccc(c(n1)Cl)C(=O)O PB24611 [0,1,0,0,0,0|2,0,0]=3 631 B11R1.166 Cc1ccc(c(n1)N)C(=O)C AB83843 [0,1,0,0,0,0|3,0,0]=4 632 B11R1.166 Cc1ccc(c(n1)N)C(=O)O PB33689 [0,1,0,0,0,0|2,0,0]=3 633 B11R1.166 Cc1ccc(c(n1)O)C(=O)C AB84278 [0,1,0,0,0,0|2,0,0]=3 634 B11R1.166 Cc1ccc(c(n1)O)[N+](=O)[O-] AB12817 [0,1,0,0,0,0|2,0,1]=4 635 B11R1.166 Cc1cnc(c(n1)C)C(=O)O AB71826 [0,1,0,0,0,0|3,0,0]=4 636 B11R1.166 Cc1cnc(c(n1)O)C(=O)O AB48562 [0,1,0,0,0,0|2,0,0]=3 637 B11R1.166 Cc1nc(c(nn1)C(=O)O)O AB48555 [0,1,0,0,0,0|3,0,0]=4 638 B11R1.166 Cc1ncc(c(n1)Cl)C(=O)O AB56016 [0,1,0,0,0,0|3,0,0]=4 639 B11R1.166 Cc1ncc(c(n1)N)C(=O)O AB04459 [0,1,0,0,0,0|3,0,0]=4 640 B11R1.166 Cc1ncc(c(n1)O)C(=O)O AB48543 [0,1,0,0,0,0|2,0,0]=3 641 B11R1.166 c1c(c(cnc1Br)C(=O)O)Cl AB67976 [0,1,0,0,0,0|2,0,0]=3 642 B11R1.166 c1c(c(cnc1Br)C(=O)O)F AB68043 [0,1,0,0,0,0|2,0,0]=3 643 B11R1.166 c1c(c(cnc1Br)C(=O)O)N AB67268 [0,1,0,0,0,0|2,0,0]=3 644 B11R1.166 c1c(c(cnc1Br)C(=O)O)O AB72394 [0,1,0,0,0,0|1,0,0]=2 645 B11R1.166 c1c(c(cnc1Cl)C(=O)O)Cl AB05151 [0,1,0,0,0,0|2,0,0]=3 646 B11R1.166 c1c(c(cnc1Cl)C(=O)O)F AB68037 [0,1,0,0,0,0|2,0,0]=3 647 B11R1.166 c1c(c(cnc1Cl)C(=O)O)N PB12156 [0,1,0,0,0,0|2,0,0]=3 648 B11R1.166 c1c(c(cnc1Cl)C(=O)O)O AB69324 [0,1,0,0,0,0|1,0,0]=2 649 B11R1.166 c1c(c(cnc1F)C(=O)O)Cl AB74908 [0,1,0,0,0,0|2,0,0]=3 650 B11R1.166 c1c(c(cnc1F)C(=O)O)F AB49331 [0,1,0,0,0,0|2,0,0]=3 651 B11R1.166 c1c(c(cnc1F)C(=O)O)N PB19556 [0,1,0,0,0,0|2,0,0]=3 652 B11R1.166 c1c(c(cnc1N)C(=O)O)Cl AB67979 [0,1,0,0,0,0|2,0,0]=3 653 B11R1.166 c1c(c(cnc1N)C(=O)O)N AB71881 [0,1,0,0,0,0|2,0,0]=3 654 B11R1.166 c1c(c(cnc1O)C(=O)O)Cl AB67983 [0,1,0,0,0,0|2,0,0]=3 655 B11R1.166 c1c(c(nc(n1)Cl)Cl)C(=O)O AB55826 [0,1,0,0,0,0|3,0,0]=4 656 B11R1.166 c1c(cnc(c1Br)C(=O)O)Br AB25162 [0,1,0,0,0,0|2,0,0]=3 657 B11R1.166 c1c(cnc(c1Cl)C(=O)O)Cl AB13812 [0,1,0,0,0,0|2,0,0]=3 658 B11R1.166 c1c(cnc(c1Cl)C(=O)O)F AB66800 [0,1,0,0,0,0|2,0,0]=3 659 B11R1.166 c1c(cnc(c1Cl)C(=O)O)N AB73535 [0,1,0,0,0,0|2,0,0]=3 660 B11R1.166 c1c(cnc(c1F)C(=O)N)Br AB65704 [0,1,0,0,0,0|3,0,0]=4 661 B11R1.166 c1c(cnc(c1F)C(=O)O)Br PB15891 [0,1,0,0,0,0|2,0,0]=3 662 B11R1.166 c1c(cnc(c1F)C(=O)O)Cl AB66361 [0,1,0,0,0,0|2,0,0]=3 663 B11R1.166 c1c(cnc(c1F)C(=O)O)N AB73541 [0,1,0,0,0,0|2,0,0]=3 664 B11R1.166 c1c(cnc(c1N)C(=O)N)Br PB28226 [0,1,0,0,0,0|3,0,0]=4 665 B11R1.166 c1c(cnc(c1N)C(=O)O)Br PB25268 [0,1,0,0,0,0|2,0,0]=3 666 B11R1.166 c1c(cnc(c1N)C(=O)O)Cl PB13238 [0,1,0,0,0,0|2,0,0]=3 667 B11R1.166 c1c(cnc(c1N)C(=O)O)Cl PB25748 [0,1,0,0,0,0|2,0,0]=3 668 B11R1.166 c1c(cnc(c1N)C(=O)O)N AB83569 [0,1,0,0,0,0|2,0,0]=3 669 B11R1.166 c1c(nc(c(n1)C(=O)O)Cl)Cl PB29742 [0,1,0,0,0,0|3,0,0]=4 670 B11R1.166 c1c(nc(c(n1)C(=O)O)N)Cl AB73168 [0,1,0,0,0,0|3,0,0]=4 671 B11R1.166 c1cc(c(cc1Br)Br)C(=O)O AB05197 [0,1,0,0,0,0|1,0,0]=2 672 B11R1.166 c1cc(c(cc1Br)F)C(=N)N AB18335 [0,1,0,0,0,0|3,0,0]=4 673 B11R1.166 c1cc(c(cc1Br)F)C(=O)O AB03858 [0,1,0,0,0,0|1,0,0]=2 674 B11R1.166 c1cc(c(cc1Br)F)[N+](=O)[O-] AB10547 [0,1,0,0,0,0|2,0,1]=4 675 B11R1.166 c1cc(c(cc1Br)N)C(=O)N AB65645 [0,1,0,0,0,0|2,0,0]=3 676 B11R1.166 c1cc(c(cc1Br)N)C(=O)O MB02895 [0,1,0,0,0,0|1,0,0]=2 677 B11R1.166 c1cc(c(cc1Br)N)[N+](=O)[O-] MB07034 [0,1,0,0,0,0|2,0,1]=4 678 B11R1.166 c1cc(c(cc1Br)O)C(=O)N MB04760 [0,1,0,0,0,0|1,0,0]=2 679 B11R1.166 c1cc(c(cc1Br)O)[N+](=O)[O-] MB02640 [0,1,0,0,0,0|1,0,1]=3 680 B11R1.166 c1cc(c(cc1Cl)Cl)C(=N)N AB18390 [0,1,0,0,0,0|3,0,0]=4 681 B11R1.166 c1cc(c(cc1Cl)F)C(=N)N AB18342 [0,1,0,0,0,0|3,0,0]=4 682 B11R1.166 c1cc(c(cc1Cl)O)C(=O)N MB09408 [0,1,0,0,0,0|1,0,0]=2 683 B11R1.166 c1cc(c(cc1F)Br)C(=O)O AB02279 [0,1,0,0,0,0|1,0,0]=2 684 B11R1.166 c1cc(c(cc1F)Cl)C(=N)N AB18354 [0,1,0,0,0,0|3,0,0]=4 685 B11R1.166 c1cc(c(cc1F)F)C(=N)N AB18346 [0,1,0,0,0,0|3,0,0]=4 686 B11R1.166 c1cc(c(cc1F)F)C(=O)O AB01069 [0,1,0,0,0,0|1,0,0]=2 687 B11R1.166 c1cc(c(cc1F)O)C(=O)N MB25529 [0,1,0,0,0,0|1,0,0]=2 688 B11R1.166 c1cc(c(cc1F)O)[N+](=O)[O-] AB00840 [0,1,0,0,0,0|1,0,1]=3 689 B11R1.166 c1cc(c(cc1I)O)C(=O)N MB37556 [0,1,0,0,0,0|1,0,0]=2 690 B11R1.166 c1cc(c(cc1N)O)C(=O)N MB25620 [0,1,0,0,0,0|1,0,0]=2 691 B11R1.166 c1cc(c(cc1O)Br)C(=O)O MB28859 [0,1,0,0,0,0|1,0,0]=2 692 B11R1.166 c1cc(c(cc1O)Br)[N+](=O)[O-] MB08147 [0,1,0,0,0,0|2,0,1]=4 693 B11R1.166 c1cc(c(cc1O)Cl)C(=O)N MB04155 [0,1,0,0,0,0|2,0,0]=3 694 B11R1.166 c1cc(c(cc1O)Cl)[N+](=O)[O-] MB01255 [0,1,0,0,0,0|2,0,1]=4 695 B11R1.166 c1cc(c(cc1O)F)C(=O)N MB08417 [0,1,0,0,0,0|2,0,0]=3 696 B11R1.166 c1cc(c(cc1O)F)[N+](=O)[O-] AB01868 [0,1,0,0,0,0|2,0,1]=4 697 B11R1.166 c1cc(c(cc1O)I)C(=O)N MB32997 [0,1,0,0,0,0|2,0,0]=3 698 B11R1.166 c1cc(c(cc1O)I)C(=O)O MB31618 [0,1,0,0,0,0|1,0,0]=2 699 B11R1.166 c1cc(c(cc1O)N)C(=O)N MB00909 [0,1,0,0,0,0|2,0,0]=3 700 B11R1.166 c1cc(c(cc1O)N)C(=O)O MB00542 [0,1,0,0,0,0|1,0,0]=2 701 B11R1.166 c1cc(nc(c1C(=O)N)N)Cl AB65210 [0,1,0,0,0,0|3,0,0]=4 702 B11R1.166 c1cc(nc(c1C(=O)O)Br)Br PB17862 [0,1,0,0,0,0|2,0,0]=3 703 B11R1.166 c1cc(nc(c1C(=O)O)Br)Cl AB66786 [0,1,0,0,0,0|2,0,0]=3 704 B11R1.166 c1cc(nc(c1C(=O)O)Cl)Br AB64863 [0,1,0,0,0,0|2,0,0]=3 705 B11R1.166 c1cc(nc(c1C(=O)O)Cl)Cl PB10074 [0,1,0,0,0,0|2,0,0]=3 706 B11R1.166 c1cc(nc(c1C(=O)O)Cl)N AB53397 [0,1,0,0,0,0|2,0,0]=3 707 B11R1.166 c1cc(nc(c1C(=O)O)F)F AB43522 [0,1,0,0,0,0|2,0,0]=3 708 B11R1.166 c1cc(nc(c1C(=O)O)F)N AB76881 [0,1,0,0,0,0|2,0,0]=3 709 B11R1.166 c1cc(nc(c1C(=O)O)N)Br AB69713 [0,1,0,0,0,0|2,0,0]=3 710 B11R1.166 c1cc(nc(c1C(=O)O)N)Cl PB26608 [0,1,0,0,0,0|2,0,0]=3 711 B11R1.166 c1cc(nc(c1C(=O)O)N)N AB67450 [0,1,0,0,0,0|2,0,0]=3 712 B11R1.167 B(c1cc(ccc1C)C)(O)O AB10384 [0,1,0,0,0,0|2,0,1]=4 713 B11R1.167 B(c1cc(ccc1C)F)(O)O AB13434 [0,1,0,0,0,0|2,0,1]=4 714 B11R1.167 B(c1cc(ccc1Cl)C)(O)O AB26401 [0,1,0,0,0,0|2,0,1]=4 715 B11R1.167 B(c1cc(ccc1Cl)Cl)(O)O AB10326 [0,1,0,0,0,0|2,0,1]=4 716 B11R1.167 B(c1cc(ccc1Cl)F)(O)O AB25503 [0,1,0,0,0,0|2,0,1]=4 717 B11R1.167 B(c1cc(ccc1Cl)O)(O)O AB48247 [0,1,0,0,0,0|2,0,1]=4 718 B11R1.167 B(c1cc(ccc1F)Br)(O)O AB22346 [0,1,0,0,0,0|2,0,1]=4 719 B11R1.167 B(c1cc(ccc1F)C)(O)O AB15421 [0,1,0,0,0,0|2,0,1]=4 720 B11R1.167 B(c1cc(ccc1F)Cl)(O)O AB22317 [0,1,0,0,0,0|2,0,1]=4 721 B11R1.167 B(c1cc(ccc1F)F)(O)O AB10314 [0,1,0,0,0,0|2,0,1]=4 722 B11R1.167 B(c1cc(ccc1F)I)(O)O AB22343 [0,1,0,0,0,0|2,0,1]=4 723 B11R1.167 B(c1cc(ccc1F)N)(O)O AB14125 [0,1,0,0,0,0|2,0,1]=4 724 B11R1.167 B(c1cc(ccc1N)F)(O)O AB13713 [0,1,0,0,0,0|2,0,1]=4 725 B11R1.167 B(c1cc(ccc1O)Br)(O)O AB03340 [0,1,0,0,0,0|1,0,1]=3 726 B11R1.167 B(c1cc(ccc1O)Cl)(O)O AB26500 [0,1,0,0,0,0|1,0,1]=3 727 B11R1.167 B(c1cc(ncc1O)Cl)(O)O AB71207 [0,1,0,0,0,0|2,0,1]=4 728 B11R1.167 CC(=O)c1c(ccc(n1)Br)N AB77136 [0,1,0,0,0,0|3,0,0]=4 729 B11R1.167 CC(=O)c1c(ccc(n1)Br)O AB84298 [0,1,0,0,0,0|2,0,0]=3 730 B11R1.167 CC(=O)c1c(ccc(n1)Cl)F AB74842 [0,1,0,0,0,0|3,0,0]=4 731 B11R1.167 CC(=O)c1c(ccc(n1)Cl)N AB74616 [0,1,0,0,0,0|3,0,0]=4 732 B11R1.167 CC(=O)c1c(ccc(n1)Cl)O AB74862 [0,1,0,0,0,0|2,0,0]=3 733 B11R1.167 CC(=O)c1c(ccc(n1)F)N AB77157 [0,1,0,0,0,0|3,0,0]=4 734 B11R1.167 CC(=O)c1c(ccc(n1)N)O AB76567 [0,1,0,0,0,0|2,0,0]=3 735 B11R1.167 CC(=O)c1cc(ccc1Cl)N AB08220 [0,1,0,0,0,0|2,0,0]=3 736 B11R1.167 CC(=O)c1cc(ccc1F)Br AB64047 [0,1,0,0,0,0|2,0,0]=3 737 B11R1.167 CC(=O)c1cc(ccc1N)Br MB07776 [0,1,0,0,0,0|2,0,0]=3 738 B11R1.167 CC(=O)c1cc(ccc1O)Br AB04623 [0,1,0,0,0,0|1,0,0]=2 739 B11R1.167 CC(=O)c1cc(cnc1Cl)Br PB27914 [0,1,0,0,0,0|3,0,0]=4 740 B11R1.167 CC(=O)c1cc(cnc1Cl)F AB70474 [0,1,0,0,0,0|3,0,0]=4 741 B11R1.167 CC(=O)c1cc(cnc1F)Br AB65212 [0,1,0,0,0,0|3,0,0]=4 742 B11R1.167 CC(=O)c1cc(cnc1F)Cl AB71956 [0,1,0,0,0,0|3,0,0]=4 743 B11R1.167 CC(=O)c1cc(cnc1N)Br AB69719 [0,1,0,0,0,0|3,0,0]=4 744 B11R1.167 CC(=O)c1cc(cnc1N)Cl AB69717 [0,1,0,0,0,0|3,0,0]=4 745 B11R1.167 CC(=O)c1cc(cnc1N)N AB83829 [0,1,0,0,0,0|3,0,0]=4 746 B11R1.167 CC(=O)c1cc(cnc1O)Br AB70678 [0,1,0,0,0,0|2,0,0]=3 747 B11R1.167 CC(=O)c1cc(cnc1O)Cl AB72636 [0,1,0,0,0,0|2,0,0]=3 748 B11R1.167 CC(=O)c1cc(cnc1O)N AB84258 [0,1,0,0,0,0|2,0,0]=3 749 B11R1.167 CC(=O)c1cc(ncc1F)Cl AB72293 [0,1,0,0,0,0|3,0,0]=4 750 B11R1.167 CC(=O)c1cc(ncc1N)Br AB83784 [0,1,0,0,0,0|3,0,0]=4 751 B11R1.167 CC(=O)c1cc(ncc1N)Cl AB76450 [0,1,0,0,0,0|3,0,0]=4 752 B11R1.167 CC(=O)c1cc(ncc1N)N AB83787 [0,1,0,0,0,0|3,0,0]=4 753 B11R1.167 CC(=O)c1cc(ncc1O)Br AB69693 [0,1,0,0,0,0|2,0,0]=3 754 B11R1.167 CC(=O)c1cc(ncc1O)Cl AB69292 [0,1,0,0,0,0|2,0,0]=3 755 B11R1.167 CC(=O)c1cc(ncc1O)N AB84159 [0,1,0,0,0,0|2,0,0]=3 756 B11R1.167 CC(C)c1cc(ccc1O)Br MB00402 [0,1,0,0,0,0|2,0,1]=4 757 B11R1.167 CC(C)c1cc(ccc1O)Cl MB22459 [0,1,0,0,0,0|2,0,1]=4 758 B11R1.167 CC(C)c1cc(ccc1O)F MB22379 [0,1,0,0,0,0|2,0,1]=4 759 B11R1.167 CC(C)c1cc(ccc1O)I MB22381 [0,1,0,0,0,0|2,0,1]=4 760 B11R1.167 CC(C)c1cc(ccc1O)N MB22385 [0,1,0,0,0,0|2,0,1]=4 761 B11R1.167 CN(C)c1cc(ccc1O)Br MB24765 [0,1,0,0,0,0|3,0,0]=4 762 B11R1.167 CN(C)c1cc(ccc1O)Cl MB24769 [0,1,0,0,0,0|3,0,0]=4 763 B11R1.167 CN(C)c1cc(ccc1O)F MB24705 [0,1,0,0,0,0|3,0,0]=4 764 B11R1.167 CN(C)c1cc(ccc1O)I MB24708 [0,1,0,0,0,0|3,0,0]=4 765 B11R1.167 CN(C)c1cc(ccc1O)N MB24713 [0,1,0,0,0,0|3,0,0]=4 766 B11R1.167 Cc1c(cc(cn1)Br)C(=O)O AB64295 [0,1,0,0,0,0|2,0,0]=3 767 B11R1.167 Cc1cc(c(cn1)Br)C(=O)O AB68165 [0,1,0,0,0,0|2,0,0]=3 768 B11R1.167 Cc1cc(c(cn1)C)C(=O)C AB82531 [0,1,0,0,0,0|3,0,0]=4 769 B11R1.167 Cc1cc(c(cn1)C)C(=O)O AB65165 [0,1,0,0,0,0|2,0,0]=3 770 B11R1.167 Cc1cc(c(cn1)Cl)C(=O)O AB68149 [0,1,0,0,0,0|2,0,0]=3 771 B11R1.167 Cc1cc(c(cn1)N)C(=O)C AB83789 [0,1,0,0,0,0|3,0,0]=4 772 B11R1.167 Cc1cc(c(cn1)N)C(=O)O PB22731 [0,1,0,0,0,0|2,0,0]=3 773 B11R1.167 Cc1cc(c(cn1)O)C(=O)C AB75257 [0,1,0,0,0,0|2,0,0]=3 774 B11R1.167 Cc1cc(c(nc1)Br)C(=O)C AB85212 [0,1,0,0,0,0|3,0,0]=4 775 B11R1.167 Cc1cc(c(nc1)Br)C(=O)O AB71098 [0,1,0,0,0,0|2,0,0]=3 776 B11R1.167 Cc1cc(c(nc1)C)C(=O)C AB82541 [0,1,0,0,0,0|3,0,0]=4 777 B11R1.167 Cc1cc(c(nc1)C)C(=O)O AB74606 [0,1,0,0,0,0|2,0,0]=3 778 B11R1.167 Cc1cc(c(nc1)Cl)C(=O)C AB70468 [0,1,0,0,0,0|3,0,0]=4 779 B11R1.167 Cc1cc(c(nc1)Cl)C(=O)O AB41816 [0,1,0,0,0,0|2,0,0]=3 780 B11R1.167 Cc1cc(c(nc1)F)C(=O)C AB64670 [0,1,0,0,0,0|3,0,0]=4 781 B11R1.167 Cc1cc(c(nc1)F)C(=O)O AB64831 [0,1,0,0,0,0|2,0,0]=3 782 B11R1.167 Cc1cc(c(nc1)N)C(=O)C AB75421 [0,1,0,0,0,0|3,0,0]=4 783 B11R1.167 Cc1cc(c(nc1)N)C(=O)O AB41822 [0,1,0,0,0,0|2,0,0]=3 784 B11R1.167 Cc1cc(c(nc1)O)C(=O)C AB84260 [0,1,0,0,0,0|2,0,0]=3 785 B11R1.167 Cc1cc(c(nc1)O)C(=O)O CB11521 [0,1,0,0,0,0|1,0,0]=2 786 B11R1.167 Cc1cc(c(nc1)O)[N+](=O)[O-] AB10657 [0,1,0,0,0,0|2,0,1]=4 787 B11R1.167 Cc1ccc(c(c1)C(=O)N)O MB00262 [0,1,0,0,0,0|1,0,0]=2 788 B11R1.167 Cc1ccc(c(c1)C(C)C)O MB00760 [0,1,0,0,0,0|2,0,1]=4 789 B11R1.167 Cc1ccc(c(c1)N(C)C)O MB23437 [0,1,0,0,0,0|3,0,0]=4 790 B11R1.167 Cc1ccc(c(c1)[N+](=O)[O-])F AB00831 [0,1,0,0,0,0|2,0,1]=4 791 B11R1.167 Cc1ccc(c(c1)[N+](=O)[O-])N AB00900 [0,1,0,0,0,0|2,0,1]=4 792 B11R1.167 Cc1ccc(c(n1)C(=O)C)N AB42557 [0,1,0,0,0,0|3,0,0]=4 793 B11R1.167 Cc1ccc(c(n1)C(=O)C)O AB75241 [0,1,0,0,0,0|2,0,0]=3 794 B11R1.167 Cc1ccc(c(n1)C(=O)O)Br AB41940 [0,1,0,0,0,0|2,0,0]=3 795 B11R1.167 Cc1ccc(c(n1)C(=O)O)Cl AB68147 [0,1,0,0,0,0|2,0,0]=3 796 B11R1.167 Cc1ccc(c(n1)C(=O)O)N AB66552 [0,1,0,0,0,0|2,0,0]=3 797 B11R1.167 Cc1ccc(cc1C(=N)N)F AB18355 [0,1,0,0,0,0|3,0,0]=4 798 B11R1.167 Cc1ccc(cc1C(=O)N)O MB23455 [0,1,0,0,0,0|2,0,0]=3 799 B11R1.167 Cc1ccc(cc1C(=O)O)O CB11294 [0,1,0,0,0,0|1,0,0]=2 800 B11R1.167 Cc1ccc(cc1[N+](=O)[O-])Br AB01864 [0,1,0,0,0,0|2,0,1]=4 801 B11R1.167 Cc1ccc(nc1C(=O)C)C AB74573 [0,1,0,0,0,0|3,0,0]=4 802 B11R1.167 Cc1ccc(nc1C(=O)C)Cl AB83230 [0,1,0,0,0,0|3,0,0]=4 803 B11R1.167 Cc1ccc(nc1C(=O)C)F AB82886 [0,1,0,0,0,0|3,0,0]=4 804 B11R1.167 Cc1ccc(nc1C(=O)O)C AB65474 [0,1,0,0,0,0|2,0,0]=3 805 B11R1.167 Cc1ccc(nc1C(=O)O)Cl AB70776 [0,1,0,0,0,0|2,0,0]=3 806 B11R1.167 Cc1ccc(nc1C(=O)O)F AB70778 [0,1,0,0,0,0|2,0,0]=3 807 B11R1.167 Cc1cnc(cc1C(=O)C)Cl AB75136 [0,1,0,0,0,0|3,0,0]=4 808 B11R1.167 Cc1cnc(cc1C(=O)C)F AB82867 [0,1,0,0,0,0|3,0,0]=4 809 B11R1.167 Cc1cnc(cc1C(=O)O)Cl AB67501 [0,1,0,0,0,0|2,0,0]=3 810 B11R1.167 Cc1cnc(cc1C(=O)O)F AB71348 [0,1,0,0,0,0|2,0,0]=3 811 B11R1.167 Cc1cnc(cc1C(=O)O)N AB63101 [0,1,0,0,0,0|2,0,0]=3 812 B11R1.167 Cc1ncc(c(n1)C(=O)O)Br PB33896 [0,1,0,0,0,0|3,0,0]=4 813 B11R1.167 c1c(c(cnc1Br)Br)C(=O)O AB48781 [0,1,0,0,0,0|2,0,0]=3 814 B11R1.167 c1c(c(cnc1Br)Cl)C(=O)O AB66669 [0,1,0,0,0,0|2,0,0]=3 815 B11R1.167 c1c(c(cnc1Br)F)C(=O)O AB50074 [0,1,0,0,0,0|2,0,0]=3 816 B11R1.167 c1c(c(cnc1Br)N)C(=O)O PB11266 [0,1,0,0,0,0|2,0,0]=3 817 B11R1.167 c1c(c(cnc1Br)O)C(=O)O AB69281 [0,1,0,0,0,0|1,0,0]=2 818 B11R1.167 c1c(c(cnc1Cl)Cl)C(=O)O AB06268 [0,1,0,0,0,0|2,0,0]=3 819 B11R1.167 c1c(c(cnc1Cl)F)C(=O)O AB20948 [0,1,0,0,0,0|2,0,0]=3 820 B11R1.167 c1c(c(cnc1Cl)N)C(=O)O PB23467 [0,1,0,0,0,0|2,0,0]=3 821 B11R1.167 c1c(c(cnc1Cl)O)C(=O)O AB67788 [0,1,0,0,0,0|1,0,0]=2 822 B11R1.167 c1c(c(cnc1F)N)C(=O)O PB14345 [0,1,0,0,0,0|2,0,0]=3 823 B11R1.167 c1c(c(cnc1N)Br)C(=O)O AB53925 [0,1,0,0,0,0|2,0,0]=3 824 B11R1.167 c1c(c(cnc1N)Cl)C(=O)O AB72346 [0,1,0,0,0,0|2,0,0]=3 825 B11R1.167 c1c(c(cnc1N)F)C(=O)O AB72349 [0,1,0,0,0,0|2,0,0]=3 826 B11R1.167 c1c(c(cnc1N)N)C(=O)O AB83416 [0,1,0,0,0,0|2,0,0]=3 827 B11R1.167 c1c(c(nnc1Cl)Cl)C(=O)O PB10028 [0,1,0,0,0,0|3,0,0]=4 828 B11R1.167 c1c(c(nnc1Cl)O)C(=O)O AB66294 [0,1,0,0,0,0|2,0,0]=3 829 B11R1.167 c1c(cnc(c1C(=O)O)Br)Br PB10346 [0,1,0,0,0,0|2,0,0]=3 830 B11R1.167 c1c(cnc(c1C(=O)O)Br)F AB64987 [0,1,0,0,0,0|2,0,0]=3 831 B11R1.167 c1c(cnc(c1C(=O)O)Cl)Br PB24830 [0,1,0,0,0,0|2,0,0]=3 832 B11R1.167 c1c(cnc(c1C(=O)O)Cl)Cl AB10181 [0,1,0,0,0,0|2,0,0]=3 833 B11R1.167 c1c(cnc(c1C(=O)O)Cl)F PB34056 [0,1,0,0,0,0|2,0,0]=3 834 B11R1.167 c1c(cnc(c1C(=O)O)Cl)N PB10371 [0,1,0,0,0,0|2,0,0]=3 835 B11R1.167 c1c(cnc(c1C(=O)O)F)Br PB12417 [0,1,0,0,0,0|2,0,0]=3 836 B11R1.167 c1c(cnc(c1C(=O)O)F)Cl AB17585 [0,1,0,0,0,0|2,0,0]=3 837 B11R1.167 c1c(cnc(c1C(=O)O)N)Br PB12952 [0,1,0,0,0,0|2,0,0]=3 838 B11R1.167 c1c(cnc(c1C(=O)O)N)Cl AB53538 [0,1,0,0,0,0|2,0,0]=3 839 B11R1.167 c1c(cnc(c1C(=O)O)N)F AB70295 [0,1,0,0,0,0|2,0,0]=3 840 B11R1.167 c1c(cnc(c1C(=O)O)N)N AB76147 [0,1,0,0,0,0|2,0,0]=3 841 B11R1.167 c1c(cnc(c1C(=O)O)O)Br PB32486 [0,1,0,0,0,0|1,0,0]=2 842 B11R1.167 c1c(cnc(c1C(=O)O)O)Cl AB04751 [0,1,0,0,0,0|1,0,0]=2 843 B11R1.167 c1c(cnc(c1C(=O)O)O)F AB20976 [0,1,0,0,0,0|1,0,0]=2 844 B11R1.167 c1c(cnc(c1[N+](=O)[O-])O)Cl AB03464 [0,1,0,0,0,0|2,0,1]=4 845 B11R1.167 c1c(cnc(c1[N+](=O)[O-])O)I PB17637 [0,1,0,0,0,0|2,0,1]=4 846 B11R1.167 c1c(nc(c(n1)Cl)C(=O)O)Br AB73166 [0,1,0,0,0,0|3,0,0]=4 847 B11R1.167 c1c(nc(c(n1)Cl)C(=O)O)Cl AB70505 [0,1,0,0,0,0|3,0,0]=4 848 B11R1.167 c1c(nc(c(n1)N)C(=O)O)Br AB44798 [0,1,0,0,0,0|3,0,0]=4 849 B11R1.167 c1c(nc(c(n1)N)C(=O)O)Cl AB60427 [0,1,0,0,0,0|3,0,0]=4 850 B11R1.167 c1c(nc(c(n1)O)C(=O)N)F PB25591 [0,1,0,0,0,0|3,0,0]=4 851 B11R1.167 c1c(nc(c(n1)O)C(=O)O)Br AB72520 [0,1,0,0,0,0|2,0,0]=3 852 B11R1.167 c1cc(c(cc1Br)C(=N)N)F AB18339 [0,1,0,0,0,0|3,0,0]=4 853 B11R1.167 c1cc(c(cc1Br)C(=O)N)N MB03086 [0,1,0,0,0,0|2,0,0]=3 854 B11R1.167 c1cc(c(cc1Br)C(=O)O)F AB03871 [0,1,0,0,0,0|1,0,0]=2 855 B11R1.167 c1cc(c(cc1Cl)C(=N)N)F AB21302 [0,1,0,0,0,0|3,0,0]=4 856 B11R1.167 c1cc(c(cc1Cl)C(=O)O)F AB06694 [0,1,0,0,0,0|1,0,0]=2 857 B11R1.167 c1cc(c(cc1Cl)[N+](=O)[O-])F MB00527 [0,1,0,0,0,0|2,0,1]=4 858 B11R1.167 c1cc(c(cc1F)C(=N)N)F AB18322 [0,1,0,0,0,0|3,0,0]=4 859 B11R1.167 c1cc(c(cc1F)C(=O)N)O MB12068 [0,1,0,0,0,0|1,0,0]=2 860 B11R1.167 c1cc(c(cc1F)C(=O)O)Br AB03824 [0,1,0,0,0,0|1,0,0]=2 861 B11R1.167 c1cc(c(cc1F)C(=O)O)Cl AB04161 [0,1,0,0,0,0|1,0,0]=2 862 B11R1.167 c1cc(c(cc1I)C(=O)N)O MB04152 [0,1,0,0,0,0|1,0,0]=2 863 B11R1.167 c1cc(c(cc1I)C(=O)O)Br CB10208 [0,1,0,0,0,0|1,0,0]=2 864 B11R1.167 c1cc(c(cc1N)C(=O)N)O MB13625 [0,1,0,0,0,0|1,0,0]=2 865 B11R1.167 c1cc(c(cc1N)C(=O)O)Cl CB10057 [0,1,0,0,0,0|1,0,0]=2 866 B11R1.167 c1cc(c(cc1O)C(=O)N)Br MB29532 [0,1,0,0,0,0|2,0,0]=3 867 B11R1.167 c1cc(c(cc1O)C(=O)N)Cl MB35104 [0,1,0,0,0,0|2,0,0]=3 868 B11R1.167 c1cc(c(cc1O)C(=O)N)F MB36923 [0,1,0,0,0,0|2,0,0]=3 869 B11R1.167 c1cc(c(cc1O)C(=O)N)I MB32389 [0,1,0,0,0,0|2,0,0]=3 870 B11R1.167 c1cc(c(cc1O)C(=O)N)N MB13629 [0,1,0,0,0,0|2,0,0]=3 871 B11R1.167 c1cc(c(cc1O)C(=O)O)Br MB04161 [0,1,0,0,0,0|1,0,0]=2 872 B11R1.167 c1cc(c(cc1O)C(=O)O)Cl CB10774 [0,1,0,0,0,0|1,0,0]=2 873 B11R1.167 c1cc(c(cc1O)C(=O)O)I MB01071 [0,1,0,0,0,0|1,0,0]=2 874 B11R1.167 c1cc(nc(c1Br)C(=O)O)Br AB64851 [0,1,0,0,0,0|2,0,0]=3 875 B11R1.167 c1cc(nc(c1Br)C(=O)O)Cl AB49770 [0,1,0,0,0,0|2,0,0]=3 876 B11R1.167 c1cc(nc(c1Cl)C(=O)O)Br AB66789 [0,1,0,0,0,0|2,0,0]=3 877 B11R1.167 c1cc(nc(c1Cl)C(=O)O)Cl AB03013 [0,1,0,0,0,0|2,0,0]=3 878 B11R1.167 c1cc(nc(c1F)C(=O)O)Cl AB20963 [0,1,0,0,0,0|2,0,0]=3 879 B11R1.167 c1cc(nc(c1N)C(=O)N)Cl PB16164 [0,1,0,0,0,0|3,0,0]=4 880 B11R1.167 c1cc(nc(c1N)C(=O)O)Br AB70529 [0,1,0,0,0,0|2,0,0]=3 881 B11R1.167 c1cc(nc(c1N)C(=O)O)Cl PB28002 [0,1,0,0,0,0|2,0,0]=3 882 B11R1.167 c1cc(nc(c1N)C(=O)O)N AB83550 [0,1,0,0,0,0|2,0,0]=3 883 B11R1.167 c1cc(nc(c1O)[N+](=O)[O-])Br AB50069 [0,1,0,0,0,0|2,0,1]=4 884 B11R1.222 CCC(=O)c1ccccc1F MB00205 [0,1,0,0,0,0|2,0,0]=3 885 B11R1.222 CNC(=O)c1c(cccn1)O MB12020 [0,1,0,0,0,0|2,0,0]=3 886 B11R1.222 CNC(=O)c1ccccc1O MB00422 [0,1,0,0,0,0|1,0,0]=2 887 B11R1.222 CNC(=O)c1ccncc1O MB25570 [0,1,0,0,0,0|2,0,0]=3 888 B11R1.222 CNC(=O)c1cnccc1O MB38207 [0,1,0,0,0,0|2,0,0]=3 889 B11R1.222 COC(=N)c1ccccc1Cl AB60968 [0,1,0,0,0,0|2,0,0]=3 890 B11R1.222 COC(=N)c1ccccc1F AB60966 [0,1,0,0,0,0|2,0,0]=3 891 B11R1.222 COC(=N)c1ccccc1O AB60984 [0,1,0,0,0,0|1,0,0]=2 892 B11R1.222 COC(=O)c1c(cccn1)Br PB13499 [0,1,0,0,0,0|2,0,0]=3 893 B11R1.222 COC(=O)c1c(cccn1)N AB48413 [0,1,0,0,0,0|2,0,0]=3 894 B11R1.222 COC(=O)c1c(nccn1)Br PB16076 [0,1,0,0,0,0|3,0,0]=4 895 B11R1.222 COC(=O)c1c(nccn1)Cl PB15729 [0,1,0,0,0,0|3,0,0]=4 896 B11R1.222 COC(=O)c1c(nccn1)O AB13230 [0,1,0,0,0,0|2,0,0]=3 897 B11R1.222 COC(=O)c1cccnc1Br AB31400 [0,1,0,0,0,0|2,0,0]=3 898 B11R1.222 COC(=O)c1cccnc1Cl PB12739 [0,1,0,0,0,0|2,0,0]=3 899 B11R1.222 COC(=O)c1cccnc1O AB44640 [0,1,0,0,0,0|1,0,0]=2 900 B11R1.222 COC(=O)c1ccncc1Br PB14358 [0,1,0,0,0,0|2,0,0]=3 901 B11R1.222 COC(=O)c1ccncc1I PB10250 [0,1,0,0,0,0|2,0,0]=3 902 B11R1.222 COC(=O)c1ccncc1N PB21166 [0,1,0,0,0,0|2,0,0]=3 903 B11R1.222 COC(=O)c1cnccc1Cl AB56385 [0,1,0,0,0,0|2,0,0]=3 904 B11R1.222 COC(=O)c1cnccc1F AB70564 [0,1,0,0,0,0|2,0,0]=3 905 B11R1.222 COC(=O)c1cnccc1N PB32232 [0,1,0,0,0,0|2,0,0]=3 906 B11R1.222 COC(=O)c1cncnc1N AB70459 [0,1,0,0,0,0|3,0,0]=4 907 B11R1.222 C\C(=N/N)\c1ccccc1O AB84931 [0,1,0,0,0,0|2,0,0]=3 908 B11R1.222 Cc1c(nccn1)C(=O)OC AB48626 [0,1,0,0,0,0|3,0,0]=4 909 B11R1.222 Cc1ccccc1C(=O)OC AB00946 [0,1,0,0,0,0|1,0,0]=2 910 B11R1.222 Cc1cccnc1C(=O)OC AB16147 [0,1,0,0,0,0|2,0,0]=3 911 B11R1.222 Cc1cnccc1C(=O)OC PB29263 [0,1,0,0,0,0|2,0,0]=3 912 B11R1.222 Cc1cnncc1C(=O)OC PB35502 [0,1,0,0,0,0|3,0,0]=4 913 B11R1.222 c1cc(c(nc1)Cl)C(=O)CBr AB69728 [0,1,0,0,0,0|3,0,0]=4 914 B11R1.222 c1ccc(c(c1)C(=O)C#N)Cl MB02595 [0,1,0,0,0,0|2,0,0]=3 915 B11R1.222 c1ccc(c(c1)C(=O)C=O)Cl AB55316 [0,1,0,0,0,0|1,0,1]=3 916 B11R1.222 c1ccc(c(c1)C(=O)C=O)F AB49795 [0,1,0,0,0,0|1,0,1]=3 917 B11R1.222 c1ccc(c(c1)\C(=N\O)\Cl)Cl AB10513 [0,1,0,0,0,0|2,0,0]=3 918 B11R2.1 B1(c2ccccc2CO1)O AB08148 [0,0,0,1,0,0|2,0,1]=4 919 B11R2.1 C1=CC2C(=NC=C2O)C=C1 AB12538 [0,0,0,1,0,0|2,0,1]=4 920 B11R2.1 c1cc2c(c(no2)N)nc1 PB21304 [0,0,0,1,0,0|3,0,0]=4 921 B11R2.1 c1cc2c(nc1)C(=O)OC2 AB66596 [0,0,0,1,0,0|2,0,0]=3 922 B11R2.1 c1cc2c(nc1)CCC2=O PB12461 [0,0,0,1,0,0|3,0,0]=4 923 B11R2.1 c1cc2c(nc1)OCC2=O AB70107 [0,0,0,1,0,0|2,0,0]=3 924 B11R2.1 c1ccc2c(c1)C(=O)CO2 AB02144 [0,0,0,1,0,0|1,0,0]=2 925 B11R2.1 c1ccc2c(c1)C(=O)N=N2 MB00163 [0,0,0,1,0,0|2,0,0]=3 926 B11R2.1 c1ccc2c(c1)C(CO2)N AB27757 [0,0,0,1,0,0|2,0,1]=4 927 B11R2.1 c1ccc2c(c1)CNC2=O AB13096 [0,0,0,1,0,0|2,0,0]=3 928 B11R2.1 c1ccc2c(c1)c(co2)Br MB01644 [0,0,0,1,0,0|2,0,0]=3 929 B11R2.1 c1ccc2c(c1)c(no2)Cl MB02698 [0,0,0,1,0,0|2,0,0]=3 930 B11R2.1 c1cncc2c1C(=O)NC2 AB66595 [0,0,0,1,0,0|3,0,0]=4 931 B11R2.1 c1cncc2c1CNC2=O PB33122 [0,0,0,1,0,0|3,0,0]=4 932 B11R2.55 c1ccc(c(c1)C2CO2)Cl MB07493 [0,0,0,1,0,0|2,0,1]=4 933 B9R1.41 C1C=C(C(=N1)C(=O)O)N AB14781 [0,0,0,0,1,0|2,0,1]=4 934 B9R1.41 CC(=O)c1c(ccs1)Br AB07140 [0,0,0,0,1,0|3,0,0]=4 935 B9R1.41 CC(=O)c1c(ccs1)N AB02201 [0,0,0,0,1,0|3,0,0]=4 936 B9R1.41 CC(=O)c1ccsc1Cl AB72529 [0,0,0,0,1,0|3,0,0]=4 937 B9R1.41 CC(=O)c1ccsc1N AB71423 [0,0,0,0,1,0|3,0,0]=4 938 B9R1.41 Cc1c(ccs1)C(=O)O AB10003 [0,0,0,0,1,0|2,0,0]=3 939 B9R1.41 Cc1c(ncs1)C(=O)O AB27941 [0,0,0,0,1,0|3,0,0]=4 940 B9R1.41 Cc1c(ocn1)C(=O)O MB01897 [0,0,0,0,1,0|3,0,0]=4 941 B9R1.41 Cc1ccoc1C(=O)O AB01137 [0,0,0,0,1,0|2,0,0]=3 942 B9R1.41 Cc1ccsc1C(=O)O AB00421 [0,0,0,0,1,0|2,0,0]=3 943 B9R1.41 Cn1c(ccn1)C(=O)O PB26026 [0,0,0,0,1,0|3,0,0]=4 944 B9R1.41 Cn1cccc1C(=O)O CB10008 [0,0,0,0,1,0|2,0,0]=3 945 B9R1.41 Cn1ccnc1C(=O)O PB21787 [0,0,0,0,1,0|3,0,0]=4 946 B9R1.41 Cn1cncc1C(=O)O PB24704 [0,0,0,0,1,0|3,0,0]=4 947 B9R1.41 c1[nH]c(c(n1)C(=O)O)N AB54857 [0,0,0,0,1,0|3,0,0]=4 948 B9R1.41 c1c(c(cs1)Br)C(=O)O PB14213 [0,0,0,0,1,0|2,0,0]=3 949 B9R1.41 c1cc(n(c1)N)C(=O)N PB26616 [0,0,0,0,1,0|3,0,0]=4 950 B9R1.41 c1coc(c1Br)C(=O)O AB03324 [0,0,0,0,1,0|2,0,0]=3 951 B9R1.41 c1coc(c1I)C(=O)O AB85068 [0,0,0,0,1,0|2,0,0]=3 952 B9R1.41 c1csc(c1Br)C(=O)O PB25929 [0,0,0,0,1,0|2,0,0]=3 953 B9R1.41 c1csc(c1Cl)C(=O)O PB10064 [0,0,0,0,1,0|2,0,0]=3 954 B9R1.41 c1csc(c1N)C(=O)N AB02202 [0,0,0,0,1,0|3,0,0]=4 955 B9R1.41 c1csc(c1N)C(=O)O AB14784 [0,0,0,0,1,0|2,0,0]=3 956 B11R1.86 CC(=O)Nc1ccccc1O AB00212 [0,0,0,0,0,1|1,0,0]=2 957 B11R1.86 CC(=O)Nc1cccnc1Br MB03384 [0,0,0,0,0,1|3,0,0]=4 958 B11R1.86 CC(=O)Nc1cnccc1N MB08841 [0,0,0,0,0,1|3,0,0]=4 959 B11R1.86 c1cc(c(nc1)CC(=O)O)Br PB17731 [0,0,0,0,0,1|2,0,0]=3 960 B11R1.86 c1cc(c(nc1)CC(=O)O)F AB55219 [0,0,0,0,0,1|2,0,0]=3 961 B11R1.86 c1cc(c(nc1)Cl)CC(=O)O PB10699 [0,0,0,0,0,1|2,0,0]=3 962 B11R1.86 c1ccc(c(c1)CC(=N)N)Cl AB60879 [0,0,0,0,0,1|3,0,0]=4 963 B11R1.86 c1ccc(c(c1)CC(=O)Cl)F AB16515 [0,0,0,0,0,1|2,0,0]=3 964 B11R1.86 c1ccc(c(c1)CC(=O)N)N AB26281 [0,0,0,0,0,1|2,0,0]=3 965 B11R1.86 c1ccc(c(c1)CC(=O)O)N AB15776 [0,0,0,0,0,1|1,0,0]=2 966 B11R1.86 c1ccc(c(c1)NC(=O)N)Br CB10141 [0,0,0,0,0,1|2,0,0]=3 967 B11R1.86 c1cnc(c(n1)CC(=O)O)Cl PB36328 [0,0,0,0,0,1|3,0,0]=4 968 B8R1.2 c1c(cncn1)C=O PB32342 [2,0,0,0,0,0|2,0,0]=4 969 B8R1.2 c1cc(cnc1)C=O AB00744 [2,0,0,0,0,0|1,0,0]=3 970 B8R1.2 c1cc(nnc1)C=O PB20119 [2,0,0,0,0,0|2,0,0]=4 971 B8R1.2 c1ccnc(c1)C=O AB00680 [2,0,0,0,0,0|1,0,0]=3 972 B8R1.2 c1cnc(cn1)C=O PB19982 [2,0,0,0,0,0|2,0,0]=4 973 B8R1.2 c1cnc(nc1)C=O PB34235 [2,0,0,0,0,0|2,0,0]=4 974 B8R1.2 c1cnccc1C=O AB00754 [2,0,0,0,0,0|1,0,0]=3 975 B8R1.2 c1cncnc1C=O AB16150 [2,0,0,0,0,0|2,0,0]=4 976 B8R1.2 c1cnncc1C=O PB17346 [2,0,0,0,0,0|2,0,0]=4 977 B8R1.5 Cc1c(cccn1)O PB18442 [2,0,0,0,0,0|1,0,1]=4 978 B8R1.5 Cc1cccnc1O AB03538 [2,0,0,0,0,0|1,0,1]=4 979 B8R1.5 Cc1ccncc1O PB23391 [2,0,0,0,0,0|1,0,1]=4 980 B8R1.5 c1cc(c(nc1)Br)O PB28951 [2,0,0,0,0,0|2,0,0]=4 981 B8R1.5 c1cc(c(nc1)Cl)O PB21615 [2,0,0,0,0,0|2,0,0]=4 982 B8R1.5 c1cc(c(nc1)I)O MB00322 [2,0,0,0,0,0|2,0,0]=4 983 B8R1.5 c1cc(c(nc1)N)O AB00700 [2,0,0,0,0,0|2,0,0]=4 984 B8R1.5 c1cc(c(nc1)N)O AB17906 [2,0,0,0,0,0|2,0,0]=4 985 B8R1.5 c1cc(c(nc1)O)Br PB12284 [2,0,0,0,0,0|2,0,0]=4 986 B8R1.5 c1cc(c(nc1)O)F AB13427 [2,0,0,0,0,0|2,0,0]=4 987 B8R1.5 c1cc(c(nc1)O)I AB53303 [2,0,0,0,0,0|2,0,0]=4 988 B8R1.5 c1cc(c(nc1)O)N PB30752 [2,0,0,0,0,0|2,0,0]=4 989 B8R1.5 c1cncc(c1Br)O AB13187 [2,0,0,0,0,0|2,0,0]=4 990 B8R1.5 c1cncc(c1Cl)O AB12281 [2,0,0,0,0,0|2,0,0]=4 991 B8R1.5 c1cncc(c1F)O AB64515 [2,0,0,0,0,0|2,0,0]=4 992 B8R1.5 c1cncc(c1I)O MB06807 [2,0,0,0,0,0|2,0,0]=4 993 B8R1.5 c1cncc(c1O)Br AB09574 [2,0,0,0,0,0|2,0,0]=4 994 B8R1.5 c1cncc(c1O)F AB18011 [2,0,0,0,0,0|2,0,0]=4 995 B10R1.13 B(c1ccc(cc1)Br)(O)O AB00202 [1,1,0,0,0,0|1,0,1]=4 996 B10R1.13 B(c1ccc(cc1)C)(O)O AB01767 [1,1,0,0,0,0|1,0,1]=4 997 B10R1.13 B(c1ccc(cc1)Cl)(O)O AB01763 [1,1,0,0,0,0|1,0,1]=4 998 B10R1.13 B(c1ccc(cc1)F)(O)O AB01761 [1,1,0,0,0,0|1,0,1]=4 999 B10R1.13 B(c1ccc(cc1)I)(O)O AB08832 [1,1,0,0,0,0|1,0,1]=4 1000 B10R1.13 B(c1ccc(cc1)N)(O)O AB08102 [1,1,0,0,0,0|1,0,1]=4 1001 B10R1.13 B(c1ccc(cc1)O)(O)O AB08076 [1,1,0,0,0,0|1,0,1]=4 1002 B10R1.13 B(c1ccc(cc1)S)(O)O AB13276 [1,1,0,0,0,0|1,0,1]=4 1003 B10R1.13 CC(=C)c1ccc(cc1)O CB10241 [1,1,0,0,0,0|2,0,0]=4 1004 B10R1.13 CC(=O)c1ccc(cn1)Br AB21518 [1,1,0,0,0,0|2,0,0]=4 1005 B10R1.13 CC(=O)c1ccc(cn1)Cl AB41101 [1,1,0,0,0,0|2,0,0]=4 1006 B10R1.13 CC(=O)c1ccc(cn1)F AB62503 [1,1,0,0,0,0|2,0,0]=4 1007 B10R1.13 CC(=O)c1ccc(cn1)N AB60315 [1,1,0,0,0,0|2,0,0]=4 1008 B10R1.13 CC(=O)c1ccc(cn1)O AB60308 [1,1,0,0,0,0|2,0,0]=4 1009 B10R1.13 CC(=O)c1ccc(nc1)Br AB21520 [1,1,0,0,0,0|2,0,0]=4 1010 B10R1.13 CC(=O)c1ccc(nc1)Cl AB14033 [1,1,0,0,0,0|2,0,0]=4 1011 B10R1.13 CC(=O)c1ccc(nc1)F AB41115 [1,1,0,0,0,0|2,0,0]=4 1012 B10R1.13 CC(=O)c1ccc(nc1)N AB49552 [1,1,0,0,0,0|2,0,0]=4 1013 B10R1.13 CC(=O)c1ccc(nc1)O AB60297 [1,1,0,0,0,0|2,0,0]=4 1014 B10R1.13 Cc1ccc(cc1)C(=N)N AB01792 [1,1,0,0,0,0|2,0,0]=4 1015 B10R1.13 Cc1ccc(cc1)C(=S)N AB04365 [1,1,0,0,0,0|1,1,0]=4 1016 B10R1.13 Cc1ccc(cn1)C(=O)C AB03568 [1,1,0,0,0,0|2,0,0]=4 1017 B10R1.13 Cc1ccc(cn1)C(=O)Cl AB44670 [1,1,0,0,0,0|2,0,0]=4 1018 B10R1.13 Cc1ccc(cn1)C(=O)O AB00723 [1,1,0,0,0,0|1,0,0]=3 1019 B10R1.13 Cc1ccc(nc1)C(=O)C AB25779 [1,1,0,0,0,0|2,0,0]=4 1020 B10R1.13 Cc1ccc(nc1)C(=O)O AB09798 [1,1,0,0,0,0|1,0,0]=3 1021 B10R1.13 Cc1ccc(nn1)C(=O)O AB52759 [1,1,0,0,0,0|2,0,0]=4 1022 B10R1.13 Cc1cnc(cn1)C(=O)O PB12995 [1,1,0,0,0,0|2,0,0]=4 1023 B10R1.13 Cc1cnc(nc1)C(=O)O PB29748 [1,1,0,0,0,0|2,0,0]=4 1024 B10R1.13 Cc1ncc(cn1)C(=O)O PB27884 [1,1,0,0,0,0|2,0,0]=4 1025 B10R1.13 c1c(cnc(n1)C(=O)O)Br PB33902 [1,1,0,0,0,0|2,0,0]=4 1026 B10R1.13 c1c(cnc(n1)C(=O)O)Cl PB13081 [1,1,0,0,0,0|2,0,0]=4 1027 B10R1.13 c1c(cnc(n1)C(=O)O)F PB31127 [1,1,0,0,0,0|2,0,0]=4 1028 B10R1.13 c1c(cnc(n1)C(=O)O)N PB34128 [1,1,0,0,0,0|2,0,0]=4 1029 B10R1.13 c1c(cnc(n1)Cl)C(=O)O PB24941 [1,1,0,0,0,0|2,0,0]=4 1030 B10R1.13 c1c(cnc(n1)N)C(=O)O AB22915 [1,1,0,0,0,0|2,0,0]=4 1031 B10R1.13 c1c(cnc(n1)O)C(=O)O PB14569 [1,1,0,0,0,0|2,0,0]=4 1032 B10R1.13 c1c(ncc(n1)Br)C(=O)O AB54768 [1,1,0,0,0,0|2,0,0]=4 1033 B10R1.13 c1c(ncc(n1)Cl)C(=O)O PB34349 [1,1,0,0,0,0|2,0,0]=4 1034 B10R1.13 c1c(ncc(n1)N)C(=O)O PB32499 [1,1,0,0,0,0|2,0,0]=4 1035 B10R1.13 c1c(ncc(n1)O)C(=O)O PB32161 [1,1,0,0,0,0|2,0,0]=4 1036 B10R1.13 c1cc(ccc1C(=N)N)Br AB06234 [1,1,0,0,0,0|2,0,0]=4 1037 B10R1.13 c1cc(ccc1C(=N)N)Cl AB03527 [1,1,0,0,0,0|2,0,0]=4 1038 B10R1.13 c1cc(ccc1C(=N)N)F AB18284 [1,1,0,0,0,0|2,0,0]=4 1039 B10R1.13 c1cc(ccc1C(=N)N)I AB18403 [1,1,0,0,0,0|2,0,0]=4 1040 B10R1.13 c1cc(ccc1C(=N)N)N AB01119 [1,1,0,0,0,0|2,0,0]=4 1041 B10R1.13 c1cc(ccc1C(=N)N)O AB03766 [1,1,0,0,0,0|2,0,0]=4 1042 B10R1.13 c1cc(ccc1C(=S)N)Br AB18142 [1,1,0,0,0,0|1,1,0]=4 1043 B10R1.13 c1cc(ccc1C(=S)N)Cl AB01841 [1,1,0,0,0,0|1,1,0]=4 1044 B10R1.13 c1cc(ccc1C(=S)N)F AB08498 [1,1,0,0,0,0|1,1,0]=4 1045 B10R1.13 c1cc(ccc1C(=S)N)N AB01833 [1,1,0,0,0,0|1,1,0]=4 1046 B10R1.13 c1cc(ccc1C(=S)N)O AB21285 [1,1,0,0,0,0|1,1,0]=4 1047 B10R1.13 c1cc(ncc1Br)C(=O)O PB32197 [1,1,0,0,0,0|1,0,0]=3 1048 B10R1.13 c1cc(ncc1Br)C(=O)[O-] AB42654 [1,1,0,0,0,0|1,0,1]=4 1049 B10R1.13 c1cc(ncc1C(=O)Cl)F AB42627 [1,1,0,0,0,0|2,0,0]=4 1050 B10R1.13 c1cc(ncc1C(=O)N)Br MB01098 [1,1,0,0,0,0|2,0,0]=4 1051 B10R1.13 c1cc(ncc1C(=O)O)Br PB18554 [1,1,0,0,0,0|1,0,0]=3 1052 B10R1.13 c1cc(ncc1C(=O)O)Cl AB00659 [1,1,0,0,0,0|1,0,0]=3 1053 B10R1.13 c1cc(ncc1C(=O)O)F AB09999 [1,1,0,0,0,0|1,0,0]=3 1054 B10R1.13 c1cc(ncc1C(=O)O)N AB17940 [1,1,0,0,0,0|1,0,0]=3 1055 B10R1.13 c1cc(ncc1C(=O)O)N PB21621 [1,1,0,0,0,0|1,0,0]=3 1056 B10R1.13 c1cc(ncc1C(=O)O)O PB17040 [1,1,0,0,0,0|1,0,0]=3 1057 B10R1.13 c1cc(ncc1Cl)C(=O)O AB17962 [1,1,0,0,0,0|1,0,0]=3 1058 B10R1.13 c1cc(ncc1F)C(=O)O AB17969 [1,1,0,0,0,0|1,0,0]=3 1059 B10R1.13 c1cc(ncc1N)C(=O)O AB12645 [1,1,0,0,0,0|1,0,0]=3 1060 B10R1.13 c1cc(ncc1O)C(=O)N MB11444 [1,1,0,0,0,0|2,0,0]=4 1061 B10R1.13 c1cc(ncc1O)C(=O)O PB26027 [1,1,0,0,0,0|1,0,0]=3 1062 B10R1.13 c1cc(nnc1C(=O)O)Cl PB27458 [1,1,0,0,0,0|2,0,0]=4 1063 B10R1.13 c1cc(nnc1C(=O)O)N PB30836 [1,1,0,0,0,0|2,0,0]=4 1064 B10R1.13 c1cc(nnc1C(=O)O)O PB20339 [1,1,0,0,0,0|2,0,0]=4 1065 B10R1.15 CCC(=O)c1ccccn1 AB01373 [1,1,0,0,0,0|2,0,0]=4 1066 B10R1.15 COC(=O)c1cccnn1 PB28168 [1,1,0,0,0,0|2,0,0]=4 1067 B10R1.15 COC(=O)c1ccncn1 PB15680 [1,1,0,0,0,0|2,0,0]=4 1068 B10R1.15 COC(=O)c1ccnnc1 PB31452 [1,1,0,0,0,0|2,0,0]=4 1069 B10R1.15 COC(=O)c1cncnc1 PB15822 [1,1,0,0,0,0|2,0,0]=4 1070 B10R1.15 COC(=O)c1ncccn1 PB20045 [1,1,0,0,0,0|2,0,0]=4 1071 B10R1.15 c1cc(cnc1)C(=O)C=O AB62325 [1,1,0,0,0,0|1,0,1]=4 1072 B10R1.15 c1cc(cnc1)C(=O)CBr AB02174 [1,1,0,0,0,0|2,0,0]=4 1073 B10R1.15 c1cc(cnc1)C(=O)CBr AB44461 [1,1,0,0,0,0|2,0,0]=4 1074 B10R1.15 c1cc(cnc1)C(=O)CCl MB06839 [1,1,0,0,0,0|2,0,0]=4 1075 B10R1.15 c1ccc(cc1)C(=O)C=O AB00817 [1,1,0,0,0,0|0,0,1]=3 1076 B10R1.15 c1ccc(cc1)C(=O)C=O AB03966 [1,1,0,0,0,0|0,0,1]=3 1077 B10R1.15 c1ccc(cc1)C(=O)NN AB00887 [1,1,0,0,0,0|1,0,0]=3 1078 B10R1.15 c1ccnc(c1)C(=O)C=O AB62330 [1,1,0,0,0,0|1,0,1]=4 1079 B10R1.15 c1ccnc(c1)C(=O)CBr AB23665 [1,1,0,0,0,0|2,0,0]=4 1080 B10R1.15 c1cnccc1C(=O)C=O AB62328 [1,1,0,0,0,0|1,0,1]=4 1081 B10R1.15 c1cnccc1C(=O)CBr AB12154 [1,1,0,0,0,0|2,0,0]=4 1082 B10R1.113 B(c1cccc(c1)Br)(O)O AB05452 [1,1,0,0,0,0|1,0,1]=4 1083 B10R1.113 B(c1cccc(c1)C)(O)O AB01795 [1,1,0,0,0,0|1,0,1]=4 1084 B10R1.113 B(c1cccc(c1)Cl)(O)O AB04228 [1,1,0,0,0,0|1,0,1]=4 1085 B10R1.113 B(c1cccc(c1)F)(O)O AB05340 [1,1,0,0,0,0|1,0,1]=4 1086 B10R1.113 B(c1cccc(c1)I)(O)O AB08836 [1,1,0,0,0,0|1,0,1]=4 1087 B10R1.113 B(c1cccc(c1)N)(O)O AB00895 [1,1,0,0,0,0|1,0,1]=4 1088 B10R1.113 B(c1cccc(c1)N)(O)O AB01122 [1,1,0,0,0,0|1,0,1]=4 1089 B10R1.113 B(c1cccc(c1)O)(O)O AB08061 [1,1,0,0,0,0|1,0,1]=4 1090 B10R1.113 B(c1cccc(c1)S)(O)O AB13509 [1,1,0,0,0,0|1,0,1]=4 1091 B10R1.113 CC(=O)c1cc(ccn1)Br AB67963 [1,1,0,0,0,0|2,0,0]=4 1092 B10R1.113 CC(=O)c1cc(ccn1)Cl AB60198 [1,1,0,0,0,0|2,0,0]=4 1093 B10R1.113 CC(=O)c1cc(ccn1)F AB68049 [1,1,0,0,0,0|2,0,0]=4 1094 B10R1.113 CC(=O)c1cc(ccn1)O AB69730 [1,1,0,0,0,0|2,0,0]=4 1095 B10R1.113 CC(=O)c1cc(cnc1)Br PB20794 [1,1,0,0,0,0|2,0,0]=4 1096 B10R1.113 CC(=O)c1cc(cnc1)F AB41114 [1,1,0,0,0,0|2,0,0]=4 1097 B10R1.113 CC(=O)c1cc(cnc1)N AB30920 [1,1,0,0,0,0|2,0,0]=4 1098 B10R1.113 CC(=O)c1cccc(n1)Br AB05570 [1,1,0,0,0,0|2,0,0]=4 1099 B10R1.113 CC(=O)c1cccc(n1)Cl AB41100 [1,1,0,0,0,0|2,0,0]=4 1100 B10R1.113 CC(=O)c1cccc(n1)F AB50226 [1,1,0,0,0,0|2,0,0]=4 1101 B10R1.113 CC(=O)c1cccc(n1)N AB67452 [1,1,0,0,0,0|2,0,0]=4 1102 B10R1.113 CC(=O)c1ccnc(c1)Br AB31302 [1,1,0,0,0,0|2,0,0]=4 1103 B10R1.113 CC(=O)c1ccnc(c1)Cl PB18811 [1,1,0,0,0,0|2,0,0]=4 1104 B10R1.113 CC(=O)c1ccnc(c1)F AB50237 [1,1,0,0,0,0|2,0,0]=4 1105 B10R1.113 CC(=O)c1ccnc(c1)N AB67454 [1,1,0,0,0,0|2,0,0]=4 1106 B10R1.113 Cc1cc(ccn1)C(=O)C AB41122 [1,1,0,0,0,0|2,0,0]=4 1107 B10R1.113 Cc1cc(ccn1)C(=O)Cl AB60195 [1,1,0,0,0,0|2,0,0]=4 1108 B10R1.113 Cc1cc(ccn1)C(=O)O AB06393 [1,1,0,0,0,0|1,0,0]=3 1109 B10R1.113 Cc1cc(cnc1)C(=O)O PB12710 [1,1,0,0,0,0|1,0,0]=3 1110 B10R1.113 Cc1cc(ncn1)C(=O)O PB20450 [1,1,0,0,0,0|2,0,0]=4 1111 B10R1.113 Cc1cccc(c1)C(=N)N AB11452 [1,1,0,0,0,0|2,0,0]=4 1112 B10R1.113 Cc1cccc(c1)C(=S)N AB08506 [1,1,0,0,0,0|1,1,0]=4 1113 B10R1.113 Cc1cccc(n1)C(=O)C AB25782 [1,1,0,0,0,0|2,0,0]=4 1114 B10R1.113 Cc1cccc(n1)C(=O)O AB01368 [1,1,0,0,0,0|1,0,0]=3 1115 B10R1.113 Cc1ccnc(c1)C(=O)C AB10395 [1,1,0,0,0,0|2,0,0]=4 1116 B10R1.113 Cc1ccnc(c1)C(=O)O AB15851 [1,1,0,0,0,0|1,0,0]=3 1117 B10R1.113 Cc1ccnc(n1)C(=O)O PB31505 [1,1,0,0,0,0|2,0,0]=4 1118 B10R1.113 Cc1cncc(n1)C(=O)O AB48615 [1,1,0,0,0,0|2,0,0]=4 1119 B10R1.113 c1c(cncc1Cl)C(=O)O PB25983 [1,1,0,0,0,0|1,0,0]=3 1120 B10R1.113 c1c(cncc1F)C(=O)O PB23226 [1,1,0,0,0,0|1,0,0]=3 1121 B10R1.113 c1c(cncc1N)C(=O)O PB13029 [1,1,0,0,0,0|1,0,0]=3 1122 B10R1.113 c1c(cncc1O)C(=O)N MB01725 [1,1,0,0,0,0|2,0,0]=4 1123 B10R1.113 c1c(cncc1O)C(=O)O PB33816 [1,1,0,0,0,0|1,0,0]=3 1124 B10R1.113 c1c(cnnc1Cl)C(=O)O PB30096 [1,1,0,0,0,0|2,0,0]=4 1125 B10R1.113 c1c(nc(cn1)Br)C(=O)O AB69955 [1,1,0,0,0,0|2,0,0]=4 1126 B10R1.113 c1c(nc(cn1)Cl)C(=O)O PB21720 [1,1,0,0,0,0|2,0,0]=4 1127 B10R1.113 c1c(nc(cn1)N)C(=O)O AB60537 [1,1,0,0,0,0|2,0,0]=4 1128 B10R1.113 c1c(ncnc1Cl)C(=O)O AB48398 [1,1,0,0,0,0|2,0,0]=4 1129 B10R1.113 c1cc(cc(c1)Br)C(=N)N AB18330 [1,1,0,0,0,0|2,0,0]=4 1130 B10R1.113 c1cc(cc(c1)Br)C(=O)N MB00265 [1,1,0,0,0,0|1,0,0]=3 1131 B10R1.113 c1cc(cc(c1)Br)C(=S)N AB21268 [1,1,0,0,0,0|1,1,0]=4 1132 B10R1.113 c1cc(cc(c1)Cl)C(=S)N AB05898 [1,1,0,0,0,0|1,1,0]=4 1133 B10R1.113 c1cc(cc(c1)F)C(=N)N AB18313 [1,1,0,0,0,0|2,0,0]=4 1134 B10R1.113 c1cc(cc(c1)F)C(=S)N AB21276 [1,1,0,0,0,0|1,1,0]=4 1135 B10R1.113 c1cc(cc(c1)N)C(=N)N AB01115 [1,1,0,0,0,0|2,0,0]=4 1136 B10R1.113 c1cc(cc(c1)N)C(=S)N AB21283 [1,1,0,0,0,0|1,1,0]=4 1137 B10R1.113 c1cc(cc(c1)O)C(=N)N AB55570 [1,1,0,0,0,0|2,0,0]=4 1138 B10R1.113 c1cc(cc(c1)O)C(=O)N MB00281 [1,1,0,0,0,0|1,0,0]=3 1139 B10R1.113 c1cc(nc(c1)Br)C(=O)N MB00999 [1,1,0,0,0,0|2,0,0]=4 1140 B10R1.113 c1cc(nc(c1)Br)C(=O)O AB03328 [1,1,0,0,0,0|1,0,0]=3 1141 B10R1.113 c1cc(nc(c1)Cl)C(=O)O AB04138 [1,1,0,0,0,0|1,0,0]=3 1142 B10R1.113 c1cc(nc(c1)F)C(=O)O AB11487 [1,1,0,0,0,0|1,0,0]=3 1143 B10R1.113 c1cc(nc(c1)I)C(=O)N AB42518 [1,1,0,0,0,0|2,0,0]=4 1144 B10R1.113 c1cc(nc(c1)I)C(=O)O AB42497 [1,1,0,0,0,0|1,0,0]=3 1145 B10R1.113 c1cc(nc(c1)N)C(=O)O PB23179 [1,1,0,0,0,0|1,0,0]=3 1146 B10R1.113 c1cnc(cc1Br)C(=O)O PB21234 [1,1,0,0,0,0|1,0,0]=3 1147 B10R1.113 c1cnc(cc1C(=O)N)Br AB05162 [1,1,0,0,0,0|2,0,0]=4 1148 B10R1.113 c1cnc(cc1C(=O)N)Cl AB04952 [1,1,0,0,0,0|2,0,0]=4 1149 B10R1.113 c1cnc(cc1C(=O)N)N AB16207 [1,1,0,0,0,0|2,0,0]=4 1150 B10R1.113 c1cnc(cc1C(=O)O)Br AB09563 [1,1,0,0,0,0|1,0,0]=3 1151 B10R1.113 c1cnc(cc1C(=O)O)Cl PB12125 [1,1,0,0,0,0|1,0,0]=3 1152 B10R1.113 c1cnc(cc1C(=O)O)F AB11490 [1,1,0,0,0,0|1,0,0]=3 1153 B10R1.113 c1cnc(cc1C(=O)O)I AB29977 [1,1,0,0,0,0|1,0,0]=3 1154 B10R1.113 c1cnc(cc1C(=O)O)N PB19872 [1,1,0,0,0,0|1,0,0]=3 1155 B10R1.113 c1cnc(cc1C(=O)O)O PB29144 [1,1,0,0,0,0|1,0,0]=3 1156 B10R1.113 c1cnc(cc1Cl)C(=O)N AB08235 [1,1,0,0,0,0|2,0,0]=4 1157 B10R1.113 c1cnc(cc1Cl)C(=O)O AB04585 [1,1,0,0,0,0|1,0,0]=3 1158 B10R1.113 c1cnc(cc1F)C(=O)O AB40659 [1,1,0,0,0,0|1,0,0]=3 1159 B10R1.113 c1cnc(cc1I)C(=O)O AB28008 [1,1,0,0,0,0|1,0,0]=3 1160 B10R1.113 c1cnc(cc1I)C(=O)O PB20818 [1,1,0,0,0,0|1,0,0]=3 1161 B10R1.113 c1cnc(cc1N)C(=O)N AB43415 [1,1,0,0,0,0|2,0,0]=4 1162 B10R1.113 c1cnc(cc1N)C(=O)O PB23313 [1,1,0,0,0,0|1,0,0]=3 1163 B10R1.113 c1cnc(cc1O)C(=O)N MB05243 [1,1,0,0,0,0|2,0,0]=4 1164 B10R1.113 c1cnc(cc1O)C(=O)O AB06407 [1,1,0,0,0,0|1,0,0]=3 1165 B10R1.113 c1cnc(nc1C(=O)O)Cl AB28457 [1,1,0,0,0,0|2,0,0]=4 1166 B10R1.113 c1cnc(nc1C(=O)O)N AB42844 [1,1,0,0,0,0|2,0,0]=4 1167 B10R1.113 c1cnc(nc1Cl)C(=O)O AB55866 [1,1,0,0,0,0|2,0,0]=4 1168 B10R1.2 CCc1cccc(c1O)Br MB02008 [1,1,0,0,0,0|1,0,1]=4 1169 B10R1.2 CCc1cccc(c1O)Cl MB02005 [1,1,0,0,0,0|1,0,1]=4 1170 B10R1.2 CCc1cccc(c1O)F MB24014 [1,1,0,0,0,0|1,0,1]=4 1171 B10R1.2 CCc1cccc(c1O)I MB24016 [1,1,0,0,0,0|1,0,1]=4 1172 B10R1.2 CCc1cccc(c1O)N MB24022 [1,1,0,0,0,0|1,0,1]=4 1173 B10R1.2 CNc1cccc(c1O)Br MB26263 [1,1,0,0,0,0|2,0,0]=4 1174 B10R1.2 CNc1cccc(c1O)Cl MB33654 [1,1,0,0,0,0|2,0,0]=4 1175 B10R1.2 CNc1cccc(c1O)F MB28274 [1,1,0,0,0,0|2,0,0]=4 1176 B10R1.2 CNc1cccc(c1O)I MB32214 [1,1,0,0,0,0|2,0,0]=4 1177 B10R1.2 CNc1cccc(c1O)N MB33525 [1,1,0,0,0,0|2,0,0]=4 1178 B10R1.2 COc1cccc(c1O)Br PB18847 [1,1,0,0,0,0|2,0,0]=4 1179 B10R1.2 COc1cccc(c1O)Cl MB25402 [1,1,0,0,0,0|2,0,0]=4 1180 B10R1.2 COc1cccc(c1O)I MB09225 [1,1,0,0,0,0|2,0,0]=4 1181 B10R1.2 COc1cccc(c1O)N MB25613 [1,1,0,0,0,0|2,0,0]=4 1182 B10R1.2 CSc1cccc(c1O)Cl MB27718 [1,1,0,0,0,0|2,0,0]=4 1183 B10R1.2 CSc1cccc(c1O)F MB25614 [1,1,0,0,0,0|2,0,0]=4 1184 B10R1.2 CSc1cccc(c1O)I MB28360 [1,1,0,0,0,0|2,0,0]=4 1185 B10R1.2 CSc1cccc(c1O)N MB28757 [1,1,0,0,0,0|2,0,0]=4 1186 B10R1.2 Cc1c(c(ccn1)C=O)Cl AB71247 [1,1,0,0,0,0|2,0,0]=4 1187 B10R1.2 Cc1c(c(ccn1)C=O)N AB70908 [1,1,0,0,0,0|2,0,0]=4 1188 B10R1.2 Cc1c(c(ccn1)C=O)O AB24800 [1,1,0,0,0,0|1,0,0]=3 1189 B10R1.2 Cc1c(cccc1O)C=O MB08410 [1,1,0,0,0,0|1,0,0]=3 1190 B10R1.2 Cc1c(ccnc1C=O)Br AB40731 [1,1,0,0,0,0|2,0,0]=4 1191 B10R1.2 Cc1c(ccnc1C=O)Cl AB40720 [1,1,0,0,0,0|2,0,0]=4 1192 B10R1.2 Cc1c(ccnc1C=O)F AB82923 [1,1,0,0,0,0|2,0,0]=4 1193 B10R1.2 Cc1c(ccnc1Cl)C=O AB55074 [1,1,0,0,0,0|2,0,0]=4 1194 B10R1.2 Cc1c(ccnc1F)C=O AB71343 [1,1,0,0,0,0|2,0,0]=4 1195 B10R1.2 Cc1c(cncc1Cl)C=O AB75131 [1,1,0,0,0,0|2,0,0]=4 1196 B10R1.2 Cc1c(nccc1C=O)C AB62887 [1,1,0,0,0,0|2,0,0]=4 1197 B10R1.2 Cc1cccc(c1O)C#N MB07838 [1,1,0,0,0,0|1,0,1]=4 1198 B10R1.2 Cc1cccc(c1O)CN MB05058 [1,1,0,0,0,0|1,0,1]=4 1199 B10R1.2 Cc1cccc(c1O)NC MB31993 [1,1,0,0,0,0|2,0,0]=4 1200 B10R1.2 Cc1cccc(c1O)SC MB31066 [1,1,0,0,0,0|2,0,0]=4 1201 B10R1.2 Cc1ccnc(c1C)C=O AB66597 [1,1,0,0,0,0|2,0,0]=4 1202 B10R1.2 Cc1ccnc(c1Cl)C=O AB44896 [1,1,0,0,0,0|2,0,0]=4 1203 B10R1.2 Cc1ccnc(c1N)C=O AB83759 [1,1,0,0,0,0|2,0,0]=4 1204 B10R1.2 Cc1ccnc(c1O)C=O AB75246 [1,1,0,0,0,0|1,0,0]=3 1205 B10R1.2 Cc1cncc(c1C)C=O AB76785 [1,1,0,0,0,0|2,0,0]=4 1206 B10R1.2 Cc1cncc(c1Cl)C=O AB67499 [1,1,0,0,0,0|2,0,0]=4 1207 B10R1.2 Cc1cncc(c1F)C=O AB75176 [1,1,0,0,0,0|2,0,0]=4 1208 B10R1.2 Cc1cncc(c1N)C=O AB83665 [1,1,0,0,0,0|2,0,0]=4 1209 B10R1.2 Cc1cncc(c1O)C=O AB75247 [1,1,0,0,0,0|1,0,0]=3 1210 B10R1.2 c1c(c(c(cn1)Br)Cl)C=O AB67643 [1,1,0,0,0,0|2,0,0]=4 1211 B10R1.2 c1c(c(c(cn1)Br)N)C=O AB83649 [1,1,0,0,0,0|2,0,0]=4 1212 B10R1.2 c1c(c(c(cn1)Br)O)C=O AB84418 [1,1,0,0,0,0|1,0,0]=3 1213 B10R1.2 c1c(c(c(cn1)Cl)Cl)C=O AB67605 [1,1,0,0,0,0|2,0,0]=4 1214 B10R1.2 c1c(c(c(cn1)Cl)F)C=O AB82970 [1,1,0,0,0,0|2,0,0]=4 1215 B10R1.2 c1c(c(c(cn1)Cl)N)C=O AB83651 [1,1,0,0,0,0|2,0,0]=4 1216 B10R1.2 c1c(c(c(cn1)Cl)O)C=O AB84026 [1,1,0,0,0,0|1,0,0]=3 1217 B10R1.2 c1c(c(c(cn1)F)Cl)C=O AB67658 [1,1,0,0,0,0|2,0,0]=4 1218 B10R1.2 c1c(c(c(cn1)N)Cl)C=O AB67745 [1,1,0,0,0,0|2,0,0]=4 1219 B10R1.2 c1c(c(c(cn1)N)N)C=O AB83667 [1,1,0,0,0,0|2,0,0]=4 1220 B10R1.2 c1c(c(c(cn1)N)O)C=O AB84419 [1,1,0,0,0,0|1,0,0]=3 1221 B10R1.2 c1c(c(c(cn1)O)Cl)C=O AB67784 [1,1,0,0,0,0|2,0,0]=4 1222 B10R1.2 c1cc(c(c(c1)Br)O)C#N PB14860 [1,1,0,0,0,0|1,0,1]=4 1223 B10R1.2 c1cc(c(c(c1)Br)O)C=O AB01203 [1,1,0,0,0,0|0,0,0]=2 1224 B10R1.2 c1cc(c(c(c1)Br)O)CN MB05060 [1,1,0,0,0,0|1,0,1]=4 1225 B10R1.2 c1cc(c(c(c1)Cl)Br)C=O MB08895 [1,1,0,0,0,0|1,0,0]=3 1226 B10R1.2 c1cc(c(c(c1)Cl)F)C=O AB09379 [1,1,0,0,0,0|1,0,0]=3 1227 B10R1.2 c1cc(c(c(c1)Cl)O)C#N MB08412 [1,1,0,0,0,0|1,0,1]=4 1228 B10R1.2 c1cc(c(c(c1)Cl)O)C=O AB21383 [1,1,0,0,0,0|0,0,0]=2 1229 B10R1.2 c1cc(c(c(c1)Cl)O)CN MB34616 [1,1,0,0,0,0|1,0,1]=4 1230 B10R1.2 c1cc(c(c(c1)F)O)C#N MB11932 [1,1,0,0,0,0|1,0,1]=4 1231 B10R1.2 c1cc(c(c(c1)F)O)C=O AB00313 [1,1,0,0,0,0|0,0,0]=2 1232 B10R1.2 c1cc(c(c(c1)F)O)CN MB05070 [1,1,0,0,0,0|1,0,1]=4 1233 B10R1.2 c1cc(c(c(c1)I)O)C#N MB14863 [1,1,0,0,0,0|1,0,1]=4 1234 B10R1.2 c1cc(c(c(c1)I)O)C=O MB12368 [1,1,0,0,0,0|0,0,0]=2 1235 B10R1.2 c1cc(c(c(c1)I)O)CN MB29107 [1,1,0,0,0,0|1,0,1]=4 1236 B10R1.2 c1cc(c(c(c1)N)O)C#N MB02411 [1,1,0,0,0,0|1,0,1]=4 1237 B10R1.2 c1cc(c(c(c1)N)O)CN MB34782 [1,1,0,0,0,0|1,0,1]=4 1238 B10R1.2 c1cc(c(c(c1)O)Br)C=O AB03304 [1,1,0,0,0,0|1,0,0]=3 1239 B10R1.2 c1cc(c(c(c1)O)F)C=O AB63446 [1,1,0,0,0,0|1,0,0]=3 1240 B10R1.2 c1cc(c(c(c1)O)I)C=O MB07518 [1,1,0,0,0,0|1,0,0]=3 1241 B10R1.2 c1cc(c(c(c1)O)N)C=O MB38000 [1,1,0,0,0,0|1,0,0]=3 1242 B10R1.2 c1cnc(c(c1Br)N)C=O AB83752 [1,1,0,0,0,0|2,0,0]=4 1243 B10R1.2 c1cnc(c(c1Br)O)C=O AB84603 [1,1,0,0,0,0|1,0,0]=3 1244 B10R1.2 c1cnc(c(c1C=O)Cl)F AB66309 [1,1,0,0,0,0|2,0,0]=4 1245 B10R1.2 c1cnc(c(c1C=O)Cl)N AB83932 [1,1,0,0,0,0|2,0,0]=4 1246 B10R1.2 c1cnc(c(c1C=O)Cl)O AB70959 [1,1,0,0,0,0|2,0,0]=4 1247 B10R1.2 c1cnc(c(c1C=O)F)Cl AB20966 [1,1,0,0,0,0|2,0,0]=4 1248 B10R1.2 c1cnc(c(c1C=O)N)Br AB71718 [1,1,0,0,0,0|2,0,0]=4 1249 B10R1.2 c1cnc(c(c1C=O)N)Cl AB71714 [1,1,0,0,0,0|2,0,0]=4 1250 B10R1.2 c1cnc(c(c1C=O)N)N AB83595 [1,1,0,0,0,0|2,0,0]=4 1251 B10R1.2 c1cnc(c(c1C=O)O)Br AB69695 [1,1,0,0,0,0|1,0,0]=3 1252 B10R1.2 c1cnc(c(c1C=O)O)Cl AB69323 [1,1,0,0,0,0|1,0,0]=3 1253 B10R1.2 c1cnc(c(c1C=O)O)N AB84363 [1,1,0,0,0,0|1,0,0]=3 1254 B10R1.2 c1cnc(c(c1Cl)F)C=O AB70766 [1,1,0,0,0,0|2,0,0]=4 1255 B10R1.2 c1cnc(c(c1Cl)N)C=O AB83753 [1,1,0,0,0,0|2,0,0]=4 1256 B10R1.2 c1cnc(c(c1Cl)O)C=O AB75013 [1,1,0,0,0,0|1,0,0]=3 1257 B10R1.2 c1cnc(c(c1F)Cl)C=O AB83001 [1,1,0,0,0,0|2,0,0]=4 1258 B10R1.2 c1cnc(c(c1N)Cl)C=O AB83926 [1,1,0,0,0,0|2,0,0]=4 1259 B10R1.2 c1cnc(c(c1N)O)C=O AB84604 [1,1,0,0,0,0|1,0,0]=3 1260 B10R1.2 c1cnc(c(c1O)Cl)C=O AB75006 [1,1,0,0,0,0|2,0,0]=4 1261 B10R1.4 Cc1ccccc1CC=O AB11813 [1,1,0,0,0,0|1,0,0]=3 1262 B10R1.4 c1cc(c(nc1)Br)\C=N\O AB70377 [1,1,0,0,0,0|2,0,0]=4 1263 B10R1.4 c1cc(c(nc1)N)\C=N\O AB25853 [1,1,0,0,0,0|2,0,0]=4 1264 B10R1.4 c1ccc(c(c1)CCN)O MB00877 [1,1,0,0,0,0|1,0,1]=4 1265 B10R1.4 c1ccc(c(c1)\C=N\O)Cl AB01188 [1,1,0,0,0,0|1,0,0]=3 1266 B10R1.20 C#Cc1ccccc1C=O AB17472 [1,1,0,0,0,0|1,0,0]=3 1267 B10R1.20 C#Cc1ccncc1C=O AB69095 [1,1,0,0,0,0|2,0,0]=4 1268 B10R1.20 C#Cc1cnccc1C=O AB69064 [1,1,0,0,0,0|2,0,0]=4 1269 B10R1.20 COc1c(cccn1)C=O PB26137 [1,1,0,0,0,0|1,0,0]=3 1270 B10R1.20 COc1c(cccn1)CO PB20446 [1,1,0,0,0,0|1,0,1]=4 1271 B10R1.20 COc1c(nccn1)C=O AB55611 [1,1,0,0,0,0|2,0,0]=4 1272 B10R1.20 COc1ccccc1C#N AB00156 [1,1,0,0,0,0|1,0,1]=4 1273 B10R1.20 COc1ccccc1C=O AB00311 [1,1,0,0,0,0|0,0,0]=2 1274 B10R1.20 COc1cccnc1C=O AB22246 [1,1,0,0,0,0|1,0,0]=3 1275 B10R1.20 COc1cccnc1CO MB05449 [1,1,0,0,0,0|1,0,1]=4 1276 B10R1.20 COc1ccncc1C=O AB17569 [1,1,0,0,0,0|1,0,0]=3 1277 B10R1.20 COc1cnccc1C=O AB17541 [1,1,0,0,0,0|1,0,0]=3 1278 B10R1.20 CSc1c(cccn1)C=O MB07044 [1,1,0,0,0,0|1,1,0]=4 1279 B10R1.20 c1cc(c(nc1)C#N)C=O AB31409 [1,1,0,0,0,0|2,0,0]=4 1280 B10R1.20 c1cc(c(nc1)C=O)C#N AB54498 [1,1,0,0,0,0|2,0,0]=4 1281 B10R1.20 c1cc(c(nc1)CCl)C=O AB69680 [1,1,0,0,0,0|2,0,0]=4 1282 B10R1.20 c1cc(c(nc1)CN)C=O AB31410 [1,1,0,0,0,0|2,0,0]=4 1283 B10R1.20 c1cc(c(nc1)CO)CO AB10176 [1,1,0,0,0,0|1,0,1]=4 1284 B10R1.20 c1cncc(c1C#N)C=O AB74128 [1,1,0,0,0,0|2,0,0]=4 1285 B10R1.20 c1cncc(c1C=O)C#N AB67707 [1,1,0,0,0,0|2,0,0]=4 1286 B10R1.20 c1cncc(c1CCl)C=O AB69679 [1,1,0,0,0,0|2,0,0]=4 1287 B10R1.25 CCc1ccc(cc1O)Br MB23992 [1,1,0,0,0,0|1,0,1]=4 1288 B10R1.25 CCc1ccc(cc1O)Cl MB23993 [1,1,0,0,0,0|1,0,1]=4 1289 B10R1.25 CCc1ccc(cc1O)F MB23841 [1,1,0,0,0,0|1,0,1]=4 1290 B10R1.25 CCc1ccc(cc1O)I MB23846 [1,1,0,0,0,0|1,0,1]=4 1291 B10R1.25 CCc1ccc(cc1O)N MB23852 [1,1,0,0,0,0|1,0,1]=4 1292 B10R1.25 CNc1ccc(cc1O)Cl MB25839 [1,1,0,0,0,0|2,0,0]=4 1293 B10R1.25 CNc1ccc(cc1O)N MB33015 [1,1,0,0,0,0|2,0,0]=4 1294 B10R1.25 COc1ccc(cc1O)Cl MB09234 [1,1,0,0,0,0|2,0,0]=4 1295 B10R1.25 COc1ccc(cc1O)I MB38179 [1,1,0,0,0,0|2,0,0]=4 1296 B10R1.25 CSc1ccc(cc1O)Br MB35434 [1,1,0,0,0,0|2,0,0]=4 1297 B10R1.25 CSc1ccc(cc1O)F MB25440 [1,1,0,0,0,0|2,0,0]=4 1298 B10R1.25 CSc1ccc(cc1O)I MB29501 [1,1,0,0,0,0|2,0,0]=4 1299 B10R1.25 CSc1ccc(cc1O)N MB36502 [1,1,0,0,0,0|2,0,0]=4 1300 B10R1.25 Cc1c(ccc(n1)Br)C=O AB66856 [1,1,0,0,0,0|2,0,0]=4 1301 B10R1.25 Cc1c(ccc(n1)Cl)C=O AB32133 [1,1,0,0,0,0|2,0,0]=4 1302 B10R1.25 Cc1cc(c(cn1)C=O)Br AB66855 [1,1,0,0,0,0|2,0,0]=4 1303 B10R1.25 Cc1cc(c(cn1)C=O)Cl AB66849 [1,1,0,0,0,0|2,0,0]=4 1304 B10R1.25 Cc1cc(c(cn1)C=O)F AB75172 [1,1,0,0,0,0|2,0,0]=4 1305 B10R1.25 Cc1cc(c(cn1)C=O)N AB83689 [1,1,0,0,0,0|2,0,0]=4 1306 B10R1.25 Cc1cc(c(cn1)C=O)O AB75249 [1,1,0,0,0,0|1,0,0]=3 1307 B10R1.25 Cc1cc(c(nc1)C=O)C AB53525 [1,1,0,0,0,0|2,0,0]=4 1308 B10R1.25 Cc1cc(c(nc1)C=O)Cl AB75087 [1,1,0,0,0,0|2,0,0]=4 1309 B10R1.25 Cc1cc(c(nc1)C=O)F AB75163 [1,1,0,0,0,0|2,0,0]=4 1310 B10R1.25 Cc1cc(c(nc1)C=O)N AB83746 [1,1,0,0,0,0|2,0,0]=4 1311 B10R1.25 Cc1cc(c(nc1)C=O)O AB75242 [1,1,0,0,0,0|1,0,0]=3 1312 B10R1.25 Cc1cc(cnc1C=O)Br AB42359 [1,1,0,0,0,0|2,0,0]=4 1313 B10R1.25 Cc1cc(cnc1C=O)Cl AB75118 [1,1,0,0,0,0|2,0,0]=4 1314 B10R1.25 Cc1cc(cnc1C=O)F AB74798 [1,1,0,0,0,0|2,0,0]=4 1315 B10R1.25 Cc1cc(ncc1C=O)Br AB67814 [1,1,0,0,0,0|2,0,0]=4 1316 B10R1.25 Cc1cc(ncc1C=O)C AB74124 [1,1,0,0,0,0|2,0,0]=4 1317 B10R1.25 Cc1cc(ncc1C=O)Cl AB32140 [1,1,0,0,0,0|2,0,0]=4 1318 B10R1.25 Cc1cc(ncc1C=O)F AB75824 [1,1,0,0,0,0|2,0,0]=4 1319 B10R1.25 Cc1ccc(c(c1)N)C=O AB58436 [1,1,0,0,0,0|1,0,0]=3 1320 B10R1.25 Cc1ccc(c(c1)O)C#N AB11820 [1,1,0,0,0,0|1,0,1]=4 1321 B10R1.25 Cc1ccc(c(c1)O)CN MB15038 [1,1,0,0,0,0|1,0,1]=4 1322 B10R1.25 Cc1ccc(c(c1)O)NC MB33283 [1,1,0,0,0,0|2,0,0]=4 1323 B10R1.25 Cc1ccc(c(c1)O)SC MB02032 [1,1,0,0,0,0|2,0,0]=4 1324 B10R1.25 Cc1ccc(c(n1)Br)C=O AB55809 [1,1,0,0,0,0|2,0,0]=4 1325 B10R1.25 Cc1ccc(c(n1)C)C=O AB13970 [1,1,0,0,0,0|2,0,0]=4 1326 B10R1.25 Cc1ccc(c(n1)Cl)C=O AB32135 [1,1,0,0,0,0|2,0,0]=4 1327 B10R1.25 Cc1ccc(c(n1)N)C=O AB27631 [1,1,0,0,0,0|2,0,0]=4 1328 B10R1.25 Cc1ccc(c(n1)O)C=O AB42321 [1,1,0,0,0,0|1,0,0]=3 1329 B10R1.25 c1c(c(cnc1Br)C=O)Cl AB67260 [1,1,0,0,0,0|2,0,0]=4 1330 B10R1.25 c1c(c(cnc1Br)C=O)F AB68032 [1,1,0,0,0,0|2,0,0]=4 1331 B10R1.25 c1c(c(cnc1Br)C=O)N AB68108 [1,1,0,0,0,0|2,0,0]=4 1332 B10R1.25 c1c(c(cnc1Br)C=O)O AB72645 [1,1,0,0,0,0|1,0,0]=3 1333 B10R1.25 c1c(c(cnc1Cl)C=O)Br AB67955 [1,1,0,0,0,0|2,0,0]=4 1334 B10R1.25 c1c(c(cnc1Cl)C=O)Cl PB13495 [1,1,0,0,0,0|2,0,0]=4 1335 B10R1.25 c1c(c(cnc1Cl)C=O)F AB68027 [1,1,0,0,0,0|2,0,0]=4 1336 B10R1.25 c1c(c(cnc1Cl)C=O)N AB52769 [1,1,0,0,0,0|2,0,0]=4 1337 B10R1.25 c1c(c(cnc1Cl)C=O)O AB69327 [1,1,0,0,0,0|1,0,0]=3 1338 B10R1.25 c1c(c(cnc1F)C=O)Cl AB75063 [1,1,0,0,0,0|2,0,0]=4 1339 B10R1.25 c1c(c(cnc1N)C=O)Cl AB71947 [1,1,0,0,0,0|2,0,0]=4 1340 B10R1.25 c1c(c(cnc1N)C=O)N AB43397 [1,1,0,0,0,0|2,0,0]=4 1341 B10R1.25 c1c(c(cnc1N)C=O)O AB84438 [1,1,0,0,0,0|1,0,0]=3 1342 B10R1.25 c1c(c(cnc1O)C=O)O AB69704 [1,1,0,0,0,0|1,0,0]=3 1343 B10R1.25 c1c(cnc(c1Br)C=O)Br AB48580 [1,1,0,0,0,0|2,0,0]=4 1344 B10R1.25 c1c(cnc(c1Cl)C=O)F AB70954 [1,1,0,0,0,0|2,0,0]=4 1345 B10R1.25 c1c(cnc(c1F)C=O)Br PB11091 [1,1,0,0,0,0|2,0,0]=4 1346 B10R1.25 c1c(cnc(c1F)C=O)Cl AB70957 [1,1,0,0,0,0|2,0,0]=4 1347 B10R1.25 c1c(cnc(c1N)C=O)Br AB83734 [1,1,0,0,0,0|2,0,0]=4 1348 B10R1.25 c1c(cnc(c1N)C=O)Cl AB83735 [1,1,0,0,0,0|2,0,0]=4 1349 B10R1.25 c1c(cnc(c1N)C=O)N AB83749 [1,1,0,0,0,0|2,0,0]=4 1350 B10R1.25 c1c(cnc(c1O)C=O)Br AB70969 [1,1,0,0,0,0|1,0,0]=3 1351 B10R1.25 c1c(cnc(c1O)C=O)Cl AB75009 [1,1,0,0,0,0|1,0,0]=3 1352 B10R1.25 c1c(cnc(c1O)C=O)N AB84581 [1,1,0,0,0,0|1,0,0]=3 1353 B10R1.25 c1cc(c(cc1Br)Br)C=O AB66752 [1,1,0,0,0,0|1,0,0]=3 1354 B10R1.25 c1cc(c(cc1Br)N)C=O AB45657 [1,1,0,0,0,0|1,0,0]=3 1355 B10R1.25 c1cc(c(cc1Br)N)CO AB42495 [1,1,0,0,0,0|1,0,1]=4 1356 B10R1.25 c1cc(c(cc1Br)O)C=O AB23661 [1,1,0,0,0,0|0,0,0]=2 1357 B10R1.25 c1cc(c(cc1Br)O)CN MB08429 [1,1,0,0,0,0|1,0,1]=4 1358 B10R1.25 c1cc(c(cc1Cl)Br)C=O MB06997 [1,1,0,0,0,0|1,0,0]=3 1359 B10R1.25 c1cc(c(cc1Cl)Br)CO MB06939 [1,1,0,0,0,0|1,0,1]=4 1360 B10R1.25 c1cc(c(cc1Cl)N)C=O AB58432 [1,1,0,0,0,0|1,0,0]=3 1361 B10R1.25 c1cc(c(cc1Cl)O)C#N MB01011 [1,1,0,0,0,0|1,0,1]=4 1362 B10R1.25 c1cc(c(cc1Cl)O)C=O AB23660 [1,1,0,0,0,0|0,0,0]=2 1363 B10R1.25 c1cc(c(cc1Cl)O)CN MB26819 [1,1,0,0,0,0|1,0,1]=4 1364 B10R1.25 c1cc(c(cc1F)Br)C=O AB06851 [1,1,0,0,0,0|1,0,0]=3 1365 B10R1.25 c1cc(c(cc1F)Br)CO AB06857 [1,1,0,0,0,0|1,0,1]=4 1366 B10R1.25 c1cc(c(cc1F)N)C=O AB55874 [1,1,0,0,0,0|1,0,0]=3 1367 B10R1.25 c1cc(c(cc1F)O)C#N MB13366 [1,1,0,0,0,0|1,0,1]=4 1368 B10R1.25 c1cc(c(cc1F)O)CN MB14866 [1,1,0,0,0,0|1,0,1]=4 1369 B10R1.25 c1cc(c(cc1I)O)C#N MB11881 [1,1,0,0,0,0|1,0,1]=4 1370 B10R1.25 c1cc(c(cc1I)O)C=O MB06220 [1,1,0,0,0,0|0,0,0]=2 1371 B10R1.25 c1cc(c(cc1I)O)CN MB10252 [1,1,0,0,0,0|1,0,1]=4 1372 B10R1.25 c1cc(c(cc1N)O)C#N AB53481 [1,1,0,0,0,0|1,0,1]=4 1373 B10R1.25 c1cc(c(cc1N)O)C=O MB09039 [1,1,0,0,0,0|0,0,0]=2 1374 B10R1.25 c1cc(c(cc1N)O)CN MB10253 [1,1,0,0,0,0|1,0,1]=4 1375 B10R1.25 c1cc(c(cc1O)Br)C=O MB25584 [1,1,0,0,0,0|1,0,0]=3 1376 B10R1.25 c1cc(c(cc1O)I)C=O MB25658 [1,1,0,0,0,0|1,0,0]=3 1377 B10R1.25 c1cc(c(cc1O)N)C=O MB38477 [1,1,0,0,0,0|1,0,0]=3 1378 B10R1.25 c1cc(nc(c1C=O)Br)Br PB20462 [1,1,0,0,0,0|2,0,0]=4 1379 B10R1.25 c1cc(nc(c1C=O)Br)Cl AB64562 [1,1,0,0,0,0|2,0,0]=4 1380 B10R1.25 c1cc(nc(c1C=O)Cl)Cl PB17413 [1,1,0,0,0,0|2,0,0]=4 1381 B10R1.25 c1cc(nc(c1C=O)F)Br AB70853 [1,1,0,0,0,0|2,0,0]=4 1382 B10R1.25 c1cc(nc(c1C=O)N)Br AB69709 [1,1,0,0,0,0|2,0,0]=4 1383 B10R1.25 c1cc(nc(c1C=O)N)Cl AB69707 [1,1,0,0,0,0|2,0,0]=4 1384 B10R1.25 c1cc(nc(c1C=O)N)N AB76145 [1,1,0,0,0,0|2,0,0]=4 1385 B10R1.25 c1cc(nc(c1C=O)O)Br AB84532 [1,1,0,0,0,0|1,0,0]=3 1386 B10R1.25 c1cc(nc(c1C=O)O)Cl AB84535 [1,1,0,0,0,0|1,0,0]=3 1387 B10R1.25 c1cc(nc(c1C=O)O)N AB84539 [1,1,0,0,0,0|1,0,0]=3 1388 B10R1.30 CCc1cc(ccc1O)Br MB00480 [1,1,0,0,0,0|1,0,1]=4 1389 B10R1.30 CCc1cc(ccc1O)C MB23622 [1,1,0,0,0,0|1,0,1]=4 1390 B10R1.30 CCc1cc(ccc1O)Cl MB00701 [1,1,0,0,0,0|1,0,1]=4 1391 B10R1.30 CCc1cc(ccc1O)I MB23657 [1,1,0,0,0,0|1,0,1]=4 1392 B10R1.30 CCc1cc(ccc1O)N MB23663 [1,1,0,0,0,0|1,0,1]=4 1393 B10R1.30 CNc1cc(ccc1O)Br MB32072 [1,1,0,0,0,0|2,0,0]=4 1394 B10R1.30 CNc1cc(ccc1O)F MB26737 [1,1,0,0,0,0|2,0,0]=4 1395 B10R1.30 CNc1cc(ccc1O)I MB35760 [1,1,0,0,0,0|2,0,0]=4 1396 B10R1.30 CNc1cc(ccc1O)N MB28647 [1,1,0,0,0,0|2,0,0]=4 1397 B10R1.30 COc1cc(ccc1O)Br PB30583 [1,1,0,0,0,0|2,0,0]=4 1398 B10R1.30 COc1cc(ccc1O)I MB05217 [1,1,0,0,0,0|2,0,0]=4 1399 B10R1.30 CSc1cc(ccc1O)Br MB28713 [1,1,0,0,0,0|2,0,0]=4 1400 B10R1.30 CSc1cc(ccc1O)Cl MB35043 [1,1,0,0,0,0|2,0,0]=4 1401 B10R1.30 CSc1cc(ccc1O)F MB35476 [1,1,0,0,0,0|2,0,0]=4 1402 B10R1.30 CSc1cc(ccc1O)N MB29519 [1,1,0,0,0,0|2,0,0]=4 1403 B10R1.30 Cc1c(cc(cn1)Cl)C=O AB62434 [1,1,0,0,0,0|2,0,0]=4 1404 B10R1.30 Cc1cc(c(cn1)Br)C=O AB68164 [1,1,0,0,0,0|2,0,0]=4 1405 B10R1.30 Cc1cc(c(cn1)C)C=O AB74126 [1,1,0,0,0,0|2,0,0]=4 1406 B10R1.30 Cc1cc(c(cn1)Cl)C=O AB68146 [1,1,0,0,0,0|2,0,0]=4 1407 B10R1.30 Cc1cc(c(cn1)N)C=O AB83642 [1,1,0,0,0,0|2,0,0]=4 1408 B10R1.30 Cc1cc(c(cn1)O)C=O AB76792 [1,1,0,0,0,0|1,0,0]=3 1409 B10R1.30 Cc1cc(c(nc1)Br)C=O AB71097 [1,1,0,0,0,0|2,0,0]=4 1410 B10R1.30 Cc1cc(c(nc1)C)C=O AB71657 [1,1,0,0,0,0|2,0,0]=4 1411 B10R1.30 Cc1cc(c(nc1)Cl)C=O AB41813 [1,1,0,0,0,0|2,0,0]=4 1412 B10R1.30 Cc1cc(c(nc1)F)C=O AB65261 [1,1,0,0,0,0|2,0,0]=4 1413 B10R1.30 Cc1cc(c(nc1)N)C=O AB51533 [1,1,0,0,0,0|2,0,0]=4 1414 B10R1.30 Cc1cc(c(nc1)O)C=O AB71365 [1,1,0,0,0,0|1,0,0]=3 1415 B10R1.30 Cc1ccc(c(c1)C#N)O MB36141 [1,1,0,0,0,0|1,0,1]=4 1416 B10R1.30 Cc1ccc(c(c1)C=O)N AB58438 [1,1,0,0,0,0|1,0,0]=3 1417 B10R1.30 Cc1ccc(c(c1)SC)O MB34646 [1,1,0,0,0,0|2,0,0]=4 1418 B10R1.30 Cc1ccc(c(n1)C=O)Br AB68163 [1,1,0,0,0,0|2,0,0]=4 1419 B10R1.30 Cc1ccc(c(n1)C=O)Cl AB68143 [1,1,0,0,0,0|2,0,0]=4 1420 B10R1.30 Cc1ccc(c(n1)C=O)N AB76244 [1,1,0,0,0,0|2,0,0]=4 1421 B10R1.30 Cc1ccc(c(n1)C=O)O AB62933 [1,1,0,0,0,0|1,0,0]=3 1422 B10R1.30 Cc1ccc(cc1C=O)Cl AB63586 [1,1,0,0,0,0|1,0,0]=3 1423 B10R1.30 Cc1ccc(cc1C=O)O MB23457 [1,1,0,0,0,0|1,0,0]=3 1424 B10R1.30 Cc1ccc(nc1C=O)C AB75403 [1,1,0,0,0,0|2,0,0]=4 1425 B10R1.30 Cc1ccc(nc1C=O)Cl AB75110 [1,1,0,0,0,0|2,0,0]=4 1426 B10R1.30 Cc1ccc(nc1C=O)F AB75170 [1,1,0,0,0,0|2,0,0]=4 1427 B10R1.30 Cc1cnc(cc1C=O)Cl AB67498 [1,1,0,0,0,0|2,0,0]=4 1428 B10R1.30 Cc1cnc(cc1C=O)F AB71344 [1,1,0,0,0,0|2,0,0]=4 1429 B10R1.30 c1c(c(cnc1Br)Br)C=O AB56403 [1,1,0,0,0,0|2,0,0]=4 1430 B10R1.30 c1c(c(cnc1Br)Cl)C=O AB54689 [1,1,0,0,0,0|2,0,0]=4 1431 B10R1.30 c1c(c(cnc1Br)F)C=O AB52575 [1,1,0,0,0,0|2,0,0]=4 1432 B10R1.30 c1c(c(cnc1Br)N)C=O AB76683 [1,1,0,0,0,0|2,0,0]=4 1433 B10R1.30 c1c(c(cnc1Br)O)C=O AB69284 [1,1,0,0,0,0|1,0,0]=3 1434 B10R1.30 c1c(c(cnc1Cl)Br)C=O PB13444 [1,1,0,0,0,0|2,0,0]=4 1435 B10R1.30 c1c(c(cnc1Cl)Cl)C=O AB24822 [1,1,0,0,0,0|2,0,0]=4 1436 B10R1.30 c1c(c(cnc1Cl)F)C=O AB20993 [1,1,0,0,0,0|2,0,0]=4 1437 B10R1.30 c1c(c(cnc1Cl)N)C=O AB64790 [1,1,0,0,0,0|2,0,0]=4 1438 B10R1.30 c1c(c(cnc1Cl)O)C=O AB67782 [1,1,0,0,0,0|1,0,0]=3 1439 B10R1.30 c1c(c(cnc1N)Br)C=O AB66638 [1,1,0,0,0,0|2,0,0]=4 1440 B10R1.30 c1c(c(cnc1N)Cl)C=O AB72352 [1,1,0,0,0,0|2,0,0]=4 1441 B10R1.30 c1c(c(cnc1N)F)C=O AB72351 [1,1,0,0,0,0|2,0,0]=4 1442 B10R1.30 c1c(c(cnc1N)N)C=O AB76707 [1,1,0,0,0,0|2,0,0]=4 1443 B10R1.30 c1c(c(cnc1N)O)C=O AB84402 [1,1,0,0,0,0|1,0,0]=3 1444 B10R1.30 c1c(cnc(c1C=O)Br)F AB70943 [1,1,0,0,0,0|2,0,0]=4 1445 B10R1.30 c1c(cnc(c1C=O)Cl)Br PB20287 [1,1,0,0,0,0|2,0,0]=4 1446 B10R1.30 c1c(cnc(c1C=O)Cl)F AB13605 [1,1,0,0,0,0|2,0,0]=4 1447 B10R1.30 c1c(cnc(c1C=O)F)Br PB29718 [1,1,0,0,0,0|2,0,0]=4 1448 B10R1.30 c1c(cnc(c1C=O)F)Cl AB20969 [1,1,0,0,0,0|2,0,0]=4 1449 B10R1.30 c1c(cnc(c1C=O)N)Br AB50973 [1,1,0,0,0,0|2,0,0]=4 1450 B10R1.30 c1c(cnc(c1C=O)N)Cl AB58421 [1,1,0,0,0,0|2,0,0]=4 1451 B10R1.30 c1c(cnc(c1C=O)N)F AB70294 [1,1,0,0,0,0|2,0,0]=4 1452 B10R1.30 c1c(cnc(c1C=O)O)Br AB70946 [1,1,0,0,0,0|1,0,0]=3 1453 B10R1.30 c1c(cnc(c1C=O)O)Cl AB70935 [1,1,0,0,0,0|1,0,0]=3 1454 B10R1.30 c1c(cnc(c1C=O)O)N AB84511 [1,1,0,0,0,0|1,0,0]=3 1455 B10R1.30 c1cc(c(cc1Br)C=O)Br MB01225 [1,1,0,0,0,0|1,0,0]=3 1456 B10R1.30 c1cc(c(cc1Br)C=O)N AB58429 [1,1,0,0,0,0|1,0,0]=3 1457 B10R1.30 c1cc(c(cc1Br)CN)O AB10938 [1,1,0,0,0,0|1,0,1]=4 1458 B10R1.30 c1cc(c(cc1Br)CO)Cl MB02484 [1,1,0,0,0,0|1,0,1]=4 1459 B10R1.30 c1cc(c(cc1Br)CO)N MB05459 [1,1,0,0,0,0|1,0,1]=4 1460 B10R1.30 c1cc(c(cc1Cl)C=O)O AB00314 [1,1,0,0,0,0|0,0,0]=2 1461 B10R1.30 c1cc(c(cc1Cl)CN)O AB23336 [1,1,0,0,0,0|1,0,1]=4 1462 B10R1.30 c1cc(c(cc1Cl)CO)N MB00550 [1,1,0,0,0,0|1,0,1]=4 1463 B10R1.30 c1cc(c(cc1F)C#N)O MB10100 [1,1,0,0,0,0|1,0,1]=4 1464 B10R1.30 c1cc(c(cc1F)C=O)Br AB03821 [1,1,0,0,0,0|1,0,0]=3 1465 B10R1.30 c1cc(c(cc1F)C=O)N AB58443 [1,1,0,0,0,0|1,0,0]=3 1466 B10R1.30 c1cc(c(cc1F)CN)O MB12059 [1,1,0,0,0,0|1,0,1]=4 1467 B10R1.30 c1cc(c(cc1F)CO)N MB05463 [1,1,0,0,0,0|1,0,1]=4 1468 B10R1.30 c1cc(c(cc1I)C#N)O MB02487 [1,1,0,0,0,0|1,0,1]=4 1469 B10R1.30 c1cc(c(cc1I)CN)O MB08421 [1,1,0,0,0,0|1,0,1]=4 1470 B10R1.30 c1cc(c(cc1N)C#N)O MB01949 [1,1,0,0,0,0|1,0,1]=4 1471 B10R1.30 c1cc(c(cc1N)C=O)O MB01352 [1,1,0,0,0,0|0,0,0]=2 1472 B10R1.30 c1cc(c(cc1N)CN)O MB10073 [1,1,0,0,0,0|1,0,1]=4 1473 B10R1.30 c1cc(c(cc1O)C=O)Br AB13035 [1,1,0,0,0,0|1,0,0]=3 1474 B10R1.30 c1cc(c(cc1O)C=O)Cl MB05036 [1,1,0,0,0,0|1,0,0]=3 1475 B10R1.30 c1cc(c(cc1O)C=O)F MB06891 [1,1,0,0,0,0|1,0,0]=3 1476 B10R1.30 c1cc(c(cc1O)C=O)N MB29975 [1,1,0,0,0,0|1,0,0]=3 1477 B10R1.30 c1cc(nc(c1Br)C=O)Cl AB68225 [1,1,0,0,0,0|2,0,0]=4 1478 B10R1.30 c1cc(nc(c1Cl)C=O)Br AB68236 [1,1,0,0,0,0|2,0,0]=4 1479 B10R1.30 c1cc(nc(c1Cl)C=O)Cl AB66502 [1,1,0,0,0,0|2,0,0]=4 1480 B10R1.30 c1cc(nc(c1F)C=O)Br PB23527 [1,1,0,0,0,0|2,0,0]=4 1481 B10R1.30 c1cc(nc(c1F)C=O)Cl AB20968 [1,1,0,0,0,0|2,0,0]=4 1482 B10R1.30 c1cc(nc(c1N)C=O)Br AB83719 [1,1,0,0,0,0|2,0,0]=4 1483 B10R1.30 c1cc(nc(c1N)C=O)Cl AB76329 [1,1,0,0,0,0|2,0,0]=4 1484 B10R1.30 c1cc(nc(c1N)C=O)N AB83733 [1,1,0,0,0,0|2,0,0]=4 1485 B10R1.30 c1cc(nc(c1O)C=O)Br AB84561 [1,1,0,0,0,0|1,0,0]=3 1486 B10R1.30 c1cc(nc(c1O)C=O)Cl AB74851 [1,1,0,0,0,0|1,0,0]=3 1487 B10R1.30 c1cc(nc(c1O)C=O)N AB84562 [1,1,0,0,0,0|1,0,0]=3 1488 B10R1.245 CCc1c(cccc1Br)O MB23614 [1,1,0,0,0,0|1,0,1]=4 1489 B10R1.245 CCc1c(cccc1Cl)O MB23615 [1,1,0,0,0,0|1,0,1]=4 1490 B10R1.245 CCc1c(cccc1F)O MB23585 [1,1,0,0,0,0|1,0,1]=4 1491 B10R1.245 CCc1c(cccc1I)O MB23587 [1,1,0,0,0,0|1,0,1]=4 1492 B10R1.245 CCc1c(cccc1O)C MB23554 [1,1,0,0,0,0|1,0,1]=4 1493 B10R1.245 CCc1c(cccc1O)N MB23558 [1,1,0,0,0,0|1,0,1]=4 1494 B10R1.245 CNc1c(cccc1Br)O MB31500 [1,1,0,0,0,0|2,0,0]=4 1495 B10R1.245 CNc1c(cccc1Cl)O MB33359 [1,1,0,0,0,0|2,0,0]=4 1496 B10R1.245 CNc1c(cccc1F)O MB29137 [1,1,0,0,0,0|2,0,0]=4 1497 B10R1.245 CNc1c(cccc1I)O MB30346 [1,1,0,0,0,0|2,0,0]=4 1498 B10R1.245 CNc1c(cccc1O)N MB01610 [1,1,0,0,0,0|2,0,0]=4 1499 B10R1.245 COc1c(cccc1Br)O MB09199 [1,1,0,0,0,0|2,0,0]=4 1500 B10R1.245 COc1c(cccc1Cl)O MB34190 [1,1,0,0,0,0|2,0,0]=4 1501 B10R1.245 COc1c(cccc1I)O MB33689 [1,1,0,0,0,0|2,0,0]=4 1502 B10R1.245 COc1c(cccc1O)N MB14425 [1,1,0,0,0,0|2,0,0]=4 1503 B10R1.245 CSc1c(cccc1Br)O MB32344 [1,1,0,0,0,0|2,0,0]=4 1504 B10R1.245 CSc1c(cccc1Cl)O MB25403 [1,1,0,0,0,0|2,0,0]=4 1505 B10R1.245 CSc1c(cccc1I)O MB36697 [1,1,0,0,0,0|2,0,0]=4 1506 B10R1.245 CSc1c(cccc1O)N MB26572 [1,1,0,0,0,0|2,0,0]=4 1507 B10R1.245 Cc1c(c(ccn1)Br)C=O AB66858 [1,1,0,0,0,0|2,0,0]=4 1508 B10R1.245 Cc1c(c(ccn1)Cl)C=O AB66851 [1,1,0,0,0,0|2,0,0]=4 1509 B10R1.245 Cc1c(c(ccn1)F)C=O AB68033 [1,1,0,0,0,0|2,0,0]=4 1510 B10R1.245 Cc1c(c(ccn1)N)C=O AB68110 [1,1,0,0,0,0|2,0,0]=4 1511 B10R1.245 Cc1c(c(ccn1)O)C=O AB84477 [1,1,0,0,0,0|1,0,0]=3 1512 B10R1.245 Cc1cccc(c1C#N)O MB02406 [1,1,0,0,0,0|1,0,1]=4 1513 B10R1.245 Cc1cccc(c1C=O)O MB14829 [1,1,0,0,0,0|0,0,0]=2 1514 B10R1.245 Cc1cccc(c1CN)O MB25667 [1,1,0,0,0,0|1,0,1]=4 1515 B10R1.245 Cc1cccc(c1CO)C AB03562 [1,1,0,0,0,0|1,0,1]=4 1516 B10R1.245 Cc1cccc(c1OC)O MB33579 [1,1,0,0,0,0|2,0,0]=4 1517 B10R1.245 Cc1cccc(c1SC)O MB08534 [1,1,0,0,0,0|2,0,0]=4 1518 B10R1.245 Cc1ccnc(c1C=O)C AB63129 [1,1,0,0,0,0|2,0,0]=4 1519 B10R1.245 Cc1ccnc(c1C=O)Cl AB44897 [1,1,0,0,0,0|2,0,0]=4 1520 B10R1.245 Cc1ccnc(c1C=O)F AB44902 [1,1,0,0,0,0|2,0,0]=4 1521 B10R1.245 Cc1ccnc(c1C=O)N AB70910 [1,1,0,0,0,0|2,0,0]=4 1522 B10R1.245 Cc1ccnc(c1C=O)O AB71364 [1,1,0,0,0,0|1,0,0]=3 1523 B10R1.245 Cc1cncc(c1C=O)C AB24811 [1,1,0,0,0,0|2,0,0]=4 1524 B10R1.245 Cc1cncc(c1C=O)Cl AB75138 [1,1,0,0,0,0|2,0,0]=4 1525 B10R1.245 Cc1cncc(c1C=O)F AB75180 [1,1,0,0,0,0|2,0,0]=4 1526 B10R1.245 Cc1cncc(c1C=O)N AB83619 [1,1,0,0,0,0|2,0,0]=4 1527 B10R1.245 Cc1cncc(c1C=O)O AB75255 [1,1,0,0,0,0|1,0,0]=3 1528 B10R1.245 c1c(c(c(cn1)Br)C=O)N AB83602 [1,1,0,0,0,0|2,0,0]=4 1529 B10R1.245 c1c(c(c(cn1)Br)C=O)O AB84381 [1,1,0,0,0,0|1,0,0]=3 1530 B10R1.245 c1c(c(c(cn1)Cl)C=O)Cl AB17460 [1,1,0,0,0,0|2,0,0]=4 1531 B10R1.245 c1c(c(c(cn1)Cl)C=O)F AB70955 [1,1,0,0,0,0|2,0,0]=4 1532 B10R1.245 c1c(c(c(cn1)Cl)C=O)N AB83603 [1,1,0,0,0,0|2,0,0]=4 1533 B10R1.245 c1c(c(c(cn1)Cl)C=O)O AB75024 [1,1,0,0,0,0|1,0,0]=3 1534 B10R1.245 c1c(c(c(cn1)F)C=O)F AB31964 [1,1,0,0,0,0|2,0,0]=4 1535 B10R1.245 c1c(c(c(cn1)N)C=O)N AB83622 [1,1,0,0,0,0|2,0,0]=4 1536 B10R1.245 c1c(c(c(cn1)O)C=O)N AB84386 [1,1,0,0,0,0|1,0,0]=3 1537 B10R1.245 c1cc(c(c(c1)Br)C#N)O MB12048 [1,1,0,0,0,0|1,0,1]=4 1538 B10R1.245 c1cc(c(c(c1)Br)C=O)Br CB11474 [1,1,0,0,0,0|1,0,0]=3 1539 B10R1.245 c1cc(c(c(c1)Br)C=O)Cl MB01095 [1,1,0,0,0,0|1,0,0]=3 1540 B10R1.245 c1cc(c(c(c1)Br)C=O)F AB14028 [1,1,0,0,0,0|1,0,0]=3 1541 B10R1.245 c1cc(c(c(c1)Br)C=O)N PB34549 [1,1,0,0,0,0|1,0,0]=3 1542 B10R1.245 c1cc(c(c(c1)Br)C=O)O AB43626 [1,1,0,0,0,0|0,0,0]=2 1543 B10R1.245 c1cc(c(c(c1)Br)CN)O MB12052 [1,1,0,0,0,0|1,0,1]=4 1544 B10R1.245 c1cc(c(c(c1)Br)CO)F AB50340 [1,1,0,0,0,0|1,0,1]=4 1545 B10R1.245 c1cc(c(c(c1)Cl)C#N)O PB19932 [1,1,0,0,0,0|1,0,1]=4 1546 B10R1.245 c1cc(c(c(c1)Cl)C=O)N AB58431 [1,1,0,0,0,0|1,0,0]=3 1547 B10R1.245 c1cc(c(c(c1)Cl)C=O)O MB01945 [1,1,0,0,0,0|0,0,0]=2 1548 B10R1.245 c1cc(c(c(c1)Cl)CN)O MB15041 [1,1,0,0,0,0|1,0,1]=4 1549 B10R1.245 c1cc(c(c(c1)F)C=O)O MB01694 [1,1,0,0,0,0|0,0,0]=2 1550 B10R1.245 c1cc(c(c(c1)F)CN)O MB03739 [1,1,0,0,0,0|1,0,1]=4 1551 B10R1.245 c1cc(c(c(c1)I)C#N)O MB37282 [1,1,0,0,0,0|1,0,1]=4 1552 B10R1.245 c1cc(c(c(c1)I)C=O)O MB14699 [1,1,0,0,0,0|0,0,0]=2 1553 B10R1.245 c1cc(c(c(c1)I)CN)O MB31821 [1,1,0,0,0,0|1,0,1]=4 1554 B10R1.245 c1cc(c(c(c1)O)C#N)N MB34868 [1,1,0,0,0,0|1,0,1]=4 1555 B10R1.245 c1cc(c(c(c1)O)C=O)N MB27161 [1,1,0,0,0,0|0,0,0]=2 1556 B10R1.245 c1cc(c(c(c1)O)CN)N MB31845 [1,1,0,0,0,0|1,0,1]=4 1557 B10R1.245 c1cnc(c(c1Br)C=O)Cl AB62918 [1,1,0,0,0,0|2,0,0]=4 1558 B10R1.245 c1cnc(c(c1Br)C=O)N AB83695 [1,1,0,0,0,0|2,0,0]=4 1559 B10R1.245 c1cnc(c(c1Br)C=O)O AB84479 [1,1,0,0,0,0|1,0,0]=3 1560 B10R1.245 c1cnc(c(c1Cl)C=O)Cl AB41952 [1,1,0,0,0,0|2,0,0]=4 1561 B10R1.245 c1cnc(c(c1Cl)C=O)F AB70637 [1,1,0,0,0,0|2,0,0]=4 1562 B10R1.245 c1cnc(c(c1Cl)C=O)N PB22850 [1,1,0,0,0,0|2,0,0]=4 1563 B10R1.245 c1cnc(c(c1Cl)C=O)O AB84482 [1,1,0,0,0,0|1,0,0]=3 1564 B10R1.245 c1cnc(c(c1F)C=O)Cl AB68028 [1,1,0,0,0,0|2,0,0]=4 1565 B10R1.245 c1cnc(c(c1I)C=O)Cl MB02652 [1,1,0,0,0,0|2,0,0]=4 1566 B10R1.245 c1cnc(c(c1N)C=O)Br AB83694 [1,1,0,0,0,0|2,0,0]=4 1567 B10R1.245 c1cnc(c(c1N)C=O)Cl AB52768 [1,1,0,0,0,0|2,0,0]=4 1568 B10R1.245 c1cnc(c(c1N)C=O)O AB84486 [1,1,0,0,0,0|1,0,0]=3 1569 B10R1.245 c1cnc(c(c1O)C=O)Br AB84458 [1,1,0,0,0,0|1,0,0]=3 1570 B10R1.245 c1cnc(c(c1O)C=O)Cl AB66422 [1,1,0,0,0,0|1,0,0]=3 1571 B10R1.245 c1cnc(c(c1O)C=O)N AB84460 [1,1,0,0,0,0|1,0,0]=3 1572 B10R1.39 c1csc(c1C#N)C(=O)O AB09996 [0,1,0,0,1,0|2,0,0]=4 1573 B10R1.59 Cc1cc(c(o1)C)C(=O)O AB03078 [0,1,0,0,1,0|2,0,0]=4 1574 B10R1.59 Cc1cc(c(s1)N)C(=O)O AB22303 [0,1,0,0,1,0|2,0,0]=4 1575 B10R1.59 Cc1cc(sc1C(=O)O)Br CB11471 [0,1,0,0,1,0|2,0,0]=4 1576 B10R1.59 Cn1cc(cc1C(=O)O)N AB42940 [0,1,0,0,1,0|2,0,0]=4 1577 B10R1.59 c1c(c(sc1Br)Cl)C(=O)O MB19768 [0,1,0,0,1,0|2,0,0]=4 1578 B10R1.59 c1c(c(sc1Cl)Cl)C(=O)O PB12074 [0,1,0,0,1,0|2,0,0]=4 1579 B10R1.59 c1c(cn(c1C(=O)O)N)Br MB14547 [0,1,0,0,1,0|2,0,0]=4 1580 B10R1.149 COC(=O)c1c(cco1)N PB25248 [0,1,0,0,1,0|2,0,0]=4 1581 B10R1.149 COC(=O)c1c(ccs1)Br PB25989 [0,1,0,0,1,0|2,0,0]=4 1582 B10R1.149 COC(=O)c1c(ccs1)Cl PB32116 [0,1,0,0,1,0|2,0,0]=4 1583 B10R1.149 COC(=O)c1c(ccs1)F CB11867 [0,1,0,0,1,0|2,0,0]=4 1584 B10R1.149 COC(=O)c1ccsc1N PB30611 [0,1,0,0,1,0|2,0,0]=4 1585 B10R1.149 Cn1cccc1C(=O)OC CB10178 [0,1,0,0,1,0|2,0,0]=4 1586 B10R1.194 c1c(c(c(s1)C(=O)O)N)Br AB65684 [0,1,0,0,1,0|2,0,0]=4 1587 B12R1.75 CC(=O)Nc1ccccc1C=O AB29065 [0,1,0,0,0,1|1,0,1]=4 1588 B12R1.124 Cc1ccccc1C(C(=O)O)N AB11985 [0,1,0,0,0,1|1,0,0]=3 1589 B12R1.124 Cc1ccccc1C(C(=O)O)N AB24607 [0,1,0,0,0,1|1,0,0]=3 1590 B12R1.124 Cc1ccccc1[C@@H](C(=O)O)N AB30505 [0,1,0,0,0,1|1,0,0]=3 1591 B12R1.124 Cc1ccccc1[C@H](C(=O)O)N AB32649 [0,1,0,0,0,1|1,0,0]=3 1592 B12R1.124 Cc1cccnc1C(C(=O)O)O AB31474 [0,1,0,0,0,1|2,0,0]=4 1593 B12R1.124 c1ccc(c(c1)C(=O)C(=O)O)Br CB10378 [0,1,0,0,0,1|1,0,0]=3 1594 B12R1.124 c1ccc(c(c1)C(=O)C(=O)O)Cl AB24958 [0,1,0,0,0,1|1,0,0]=3 1595 B12R1.124 c1ccc(c(c1)C(=O)C(=O)O)F AB28722 [0,1,0,0,0,1|1,0,0]=3 1596 B12R1.124 c1ccc(c(c1)C(C(=O)O)N)Br AB11975 [0,1,0,0,0,1|1,0,0]=3 1597 B12R1.124 c1ccc(c(c1)C(C(=O)O)N)Cl AB02080 [0,1,0,0,0,1|1,0,0]=3 1598 B12R1.124 c1ccc(c(c1)C(C(=O)O)N)Cl AB24559 [0,1,0,0,0,1|1,0,0]=3 1599 B12R1.124 c1ccc(c(c1)C(C(=O)O)N)F AB01936 [0,1,0,0,0,1|1,0,0]=3 1600 B12R1.124 c1ccc(c(c1)C(C(=O)O)N)O AB01138 [0,1,0,0,0,1|0,0,0]=2 1601 B12R1.124 c1ccc(c(c1)[C@@H](C(=O)O)N)Br AB32771 [0,1,0,0,0,1|1,0,0]=3 1602 B12R1.124 c1ccc(c(c1)[C@@H](C(=O)O)N)Cl AB14834 [0,1,0,0,0,1|1,0,0]=3 1603 B12R1.124 c1ccc(c(c1)[C@@H](C(=O)O)N)F AB30501 [0,1,0,0,0,1|1,0,0]=3 1604 B12R1.124 c1ccc(c(c1)[C@@H](C(=O)O)N)O AB32827 [0,1,0,0,0,1|0,0,0]=2 1605 B12R1.124 c1ccc(c(c1)[C@H](C(=O)O)N)Br AB32767 [0,1,0,0,0,1|1,0,0]=3 1606 B12R1.124 c1ccc(c(c1)[C@H](C(=O)O)N)F AB32730 [0,1,0,0,0,1|1,0,0]=3 1607 B12R1.124 c1ccc(c(c1)[C@H](C(=O)O)N)O AB32824 [0,1,0,0,0,1|0,0,0]=2 1608 B12R1.127 c1cc(nc(c1Cl)CC(=O)O)Cl AB71029 [0,1,0,0,0,1|2,0,0]=4 1609 B12R1.224 c1cnc(c(c1CC(=O)O)N)O AB63461 [0,1,0,0,0,1|2,0,0]=4 1610 B12R1.233 c1c(cnc(c1N)CC(=O)O)Br AB40972 [0,1,0,0,0,1|2,0,0]=4 1611 B12R1.233 c1c(cnc(c1N)CC(=O)O)Cl AB41048 [0,1,0,0,0,1|2,0,0]=4 1612 B12R1.371 COC(=N)Cc1ccccc1Cl AB60946 [0,1,0,0,0,1|2,0,0]=4 1613 B12R1.371 COC(=O)Cc1c(cccn1)Br PB23028 [0,1,0,0,0,1|2,0,0]=4 1614 B12R1.371 COC(=O)Cc1ccccc1Br AB42488 [0,1,0,0,0,1|1,0,0]=3 1615 B12R1.371 COC(=O)Cc1ccccc1N AB21308 [0,1,0,0,0,1|1,0,0]=3 1616 B12R1.371 COC(=O)Cc1cccnc1Cl AB76392 [0,1,0,0,0,1|2,0,0]=4 1617 B12R1.371 COC(=O)Cc1ccncc1N AB63978 [0,1,0,0,0,1|2,0,0]=4 1618 B12R1.1009 c1cc(c(c(c1)F)CC(=O)O)N AB31835 [0,1,0,0,0,1|1,0,0]=3 1619 B12R1.1009 c1cc(c(c(c1)F)CC(=O)O)O AB31842 [0,1,0,0,0,1|0,0,0]=2 1620 B12R1.46 B(c1cc(ccc1OC)Br)(O)O AB03344 [0,2,0,0,0,0|1,0,1]=4 1621 B12R1.46 B(c1cc(ccc1OC)C)(O)O AB11186 [0,2,0,0,0,0|1,0,1]=4 1622 B12R1.46 B(c1cc(ccc1OC)Cl)(O)O AB08779 [0,2,0,0,0,0|1,0,1]=4 1623 B12R1.46 B(c1cc(ccc1OC)F)(O)O AB10385 [0,2,0,0,0,0|1,0,1]=4 1624 B12R1.46 B(c1cc(ccc1OC)O)(O)O AB32085 [0,2,0,0,0,0|1,0,1]=4 1625 B12R1.46 CC(=O)c1cc(ncc1OC)Br AB76400 [0,2,0,0,0,0|2,0,0]=4 1626 B12R1.46 CCc1ccc(cc1C(=O)N)O MB23932 [0,2,0,0,0,0|2,0,0]=4 1627 B12R1.46 CCc1ccc(cc1C(=O)O)O MB23934 [0,2,0,0,0,0|1,0,0]=3 1628 B12R1.46 CNc1ccc(cc1C(=O)O)O MB38292 [0,2,0,0,0,0|1,0,0]=3 1629 B12R1.46 COc1c(cc(cn1)Br)C(=O)O PB10367 [0,2,0,0,0,0|1,0,0]=3 1630 B12R1.46 COc1c(cc(cn1)F)C(=O)O AB20974 [0,2,0,0,0,0|1,0,0]=3 1631 B12R1.46 COc1ccc(cc1C(=O)N)O MB29478 [0,2,0,0,0,0|1,0,0]=3 1632 B12R1.46 COc1ccc(cc1C(=O)O)N AB50010 [0,2,0,0,0,0|0,0,0]=2 1633 B12R1.46 COc1ccc(cc1C(=O)O)O MB08752 [0,2,0,0,0,0|0,0,0]=2 1634 B12R1.46 COc1cnc(cc1C(=O)O)Br AB74945 [0,2,0,0,0,0|1,0,0]=3 1635 B12R1.46 COc1cnc(cc1C(=O)O)Cl AB67550 [0,2,0,0,0,0|1,0,0]=3 1636 B12R1.46 CSc1ccc(cc1C(=O)N)O MB33145 [0,2,0,0,0,0|1,1,0]=4 1637 B12R1.46 CSc1ccc(cc1C(=O)O)O MB30450 [0,2,0,0,0,0|0,1,0]=3 1638 B12R1.46 Cc1cc(c(nc1)OC)C(=O)C AB70471 [0,2,0,0,0,0|2,0,0]=4 1639 B12R1.46 Cc1ncc(c(n1)C(=O)O)OC PB26930 [0,2,0,0,0,0|2,0,0]=4 1640 B12R1.46 c1cc(c(cc1O)C(=O)N)C#N MB25527 [0,2,0,0,0,0|2,0,0]=4 1641 B12R1.46 c1cc(c(cc1O)C(=O)N)C=O MB26394 [0,2,0,0,0,0|1,0,1]=4 1642 B12R1.46 c1cc(c(cc1O)C(=O)O)C#N MB34207 [0,2,0,0,0,0|1,0,0]=3 1643 B12R1.46 c1cc(c(cc1O)C(=O)O)C=O MB31349 [0,2,0,0,0,0|0,0,1]=3 1644 B12R1.46 c1cc(c(cc1O)C(=O)O)CN MB26977 [0,2,0,0,0,0|1,0,0]=3 1645 B12R1.57 B(c1ccc(cc1OC)Br)(O)O CB11580 [0,2,0,0,0,0|1,0,1]=4 1646 B12R1.57 B(c1ccc(cc1OC)Cl)(O)O AB12616 [0,2,0,0,0,0|1,0,1]=4 1647 B12R1.57 B(c1ccc(cc1OC)F)(O)O AB15998 [0,2,0,0,0,0|1,0,1]=4 1648 B12R1.57 CC(=O)c1ccc(nc1OC)Cl AB64676 [0,2,0,0,0,0|2,0,0]=4 1649 B12R1.57 CCc1cc(ccc1C(=O)N)O MB23744 [0,2,0,0,0,0|2,0,0]=4 1650 B12R1.57 CCc1cc(ccc1C(=O)O)O MB23747 [0,2,0,0,0,0|1,0,0]=3 1651 B12R1.57 CNc1cc(ccc1C(=O)N)O MB36251 [0,2,0,0,0,0|2,0,0]=4 1652 B12R1.57 CNc1cc(ccc1C(=O)O)O MB33236 [0,2,0,0,0,0|1,0,0]=3 1653 B12R1.57 COc1c(ccc(n1)Br)C(=O)O AB67021 [0,2,0,0,0,0|1,0,0]=3 1654 B12R1.57 COc1c(ccc(n1)Cl)C(=O)O AB64672 [0,2,0,0,0,0|1,0,0]=3 1655 B12R1.57 COc1c(ccc(n1)F)C(=O)O AB67028 [0,2,0,0,0,0|1,0,0]=3 1656 B12R1.57 COc1c(ccc(n1)N)C(=O)O AB43430 [0,2,0,0,0,0|1,0,0]=3 1657 B12R1.57 COc1c(ncc(n1)Cl)C(=O)O AB69259 [0,2,0,0,0,0|2,0,0]=4 1658 B12R1.57 COc1cc(ccc1C(=O)N)O MB26783 [0,2,0,0,0,0|1,0,0]=3 1659 B12R1.57 COc1cc(ccc1C(=O)O)O MB03687 [0,2,0,0,0,0|0,0,0]=2 1660 B12R1.57 COc1cc(ccc1[N+](=O)[O-])F AB02974 [0,2,0,0,0,0|1,0,1]=4 1661 B12R1.57 COc1cc(ncc1C(=O)O)Br AB67868 [0,2,0,0,0,0|1,0,0]=3 1662 B12R1.57 COc1cc(ncc1C(=O)O)Cl AB55875 [0,2,0,0,0,0|1,0,0]=3 1663 B12R1.57 COc1cc(ncc1C(=O)O)F AB67874 [0,2,0,0,0,0|1,0,0]=3 1664 B12R1.57 COc1cc(ncc1C(=O)O)N AB67877 [0,2,0,0,0,0|1,0,0]=3 1665 B12R1.57 CSc1cc(ccc1C(=O)N)O MB27987 [0,2,0,0,0,0|1,1,0]=4 1666 B12R1.57 CSc1cc(ccc1C(=O)O)O MB31488 [0,2,0,0,0,0|0,1,0]=3 1667 B12R1.57 Cc1ccc(c(c1)OC)[N+](=O)[O-] AB00874 [0,2,0,0,0,0|1,0,1]=4 1668 B12R1.57 c1cc(c(cc1O)C#N)C(=O)N MB34280 [0,2,0,0,0,0|2,0,0]=4 1669 B12R1.57 c1cc(c(cc1O)C#N)C(=O)O MB38049 [0,2,0,0,0,0|1,0,0]=3 1670 B12R1.57 c1cc(c(cc1O)C=O)C(=O)N MB35479 [0,2,0,0,0,0|1,0,1]=4 1671 B12R1.57 c1cc(c(cc1O)C=O)C(=O)O MB26938 [0,2,0,0,0,0|0,0,1]=3 1672 B12R1.57 c1cc(c(cc1O)CN)C(=O)N MB29099 [0,2,0,0,0,0|2,0,0]=4 1673 B12R1.57 c1cc(c(cc1O)CN)C(=O)O MB27880 [0,2,0,0,0,0|1,0,0]=3 1674 B12R1.77 CCC(=O)c1ccccc1C#C AB69159 [0,2,0,0,0,0|2,0,0]=4 1675 B12R1.77 CNc1c(cccn1)C(=O)OC AB66270 [0,2,0,0,0,0|2,0,0]=4 1676 B12R1.77 COC(=O)c1c(cccn1)C#C AB69078 [0,2,0,0,0,0|2,0,0]=4 1677 B12R1.77 COC(=O)c1c(cccn1)C#N AB03603 [0,2,0,0,0,0|2,0,0]=4 1678 B12R1.77 COC(=O)c1c(cccn1)CBr AB31487 [0,2,0,0,0,0|2,0,0]=4 1679 B12R1.77 COC(=O)c1c(cccn1)CCl AB70258 [0,2,0,0,0,0|2,0,0]=4 1680 B12R1.77 COC(=O)c1c(cccn1)CO AB76394 [0,2,0,0,0,0|1,0,0]=3 1681 B12R1.77 COC(=O)c1ccccc1C#C AB65625 [0,2,0,0,0,0|1,0,0]=3 1682 B12R1.77 COC(=O)c1ccccc1CBr AB14704 [0,2,0,0,0,0|1,0,0]=3 1683 B12R1.77 COC(=O)c1cccnc1CBr AB71758 [0,2,0,0,0,0|2,0,0]=4 1684 B12R1.77 COC(=O)c1cccnc1CCl MB08842 [0,2,0,0,0,0|2,0,0]=4 1685 B12R1.77 COC(=O)c1ccncc1C#C AB69063 [0,2,0,0,0,0|2,0,0]=4 1686 B12R1.77 COC(=O)c1ccncc1CBr AB64502 [0,2,0,0,0,0|2,0,0]=4 1687 B12R1.77 COc1c(cccn1)C(=O)OC PB12422 [0,2,0,0,0,0|1,0,0]=3 1688 B12R1.77 COc1ccccc1C(=N)OC AB60967 [0,2,0,0,0,0|1,0,0]=3 1689 B12R1.77 COc1ccccc1C(=O)C=O AB29979 [0,2,0,0,0,0|0,0,1]=3 1690 B12R1.87 B(c1cccc(c1OC)C)(O)O AB30192 [0,2,0,0,0,0|1,0,1]=4 1691 B12R1.87 B(c1cccc(c1OC)F)(O)O AB13708 [0,2,0,0,0,0|1,0,1]=4 1692 B12R1.87 CCc1c(cccc1O)C(=O)N MB23577 [0,2,0,0,0,0|2,0,0]=4 1693 B12R1.87 CCc1c(cccc1O)C(=O)O MB23579 [0,2,0,0,0,0|1,0,0]=3 1694 B12R1.87 CNc1c(cccc1O)C(=O)N MB30861 [0,2,0,0,0,0|2,0,0]=4 1695 B12R1.87 CNc1c(cccc1O)C(=O)O MB34985 [0,2,0,0,0,0|1,0,0]=3 1696 B12R1.87 COc1c(cccc1F)[N+](=O)[O-] MB03875 [0,2,0,0,0,0|1,0,1]=4 1697 B12R1.87 COc1c(cccc1O)C(=O)N MB38316 [0,2,0,0,0,0|1,0,0]=3 1698 B12R1.87 COc1c(cccc1O)C(=O)O MB03017 [0,2,0,0,0,0|0,0,0]=2 1699 B12R1.87 CSc1c(cccc1O)C(=O)N MB32347 [0,2,0,0,0,0|1,1,0]=4 1700 B12R1.87 CSc1c(cccc1O)C(=O)O MB30913 [0,2,0,0,0,0|0,1,0]=3 1701 B12R1.87 c1c(c(c(cn1)N)C=O)C(=O)O AB83613 [0,2,0,0,0,0|1,0,1]=4 1702 B12R1.87 c1c(c(c(cn1)O)C=O)C(=O)O AB84395 [0,2,0,0,0,0|1,0,1]=4 1703 B12R1.87 c1cc(c(c(c1)O)C#N)C(=O)N MB30584 [0,2,0,0,0,0|2,0,0]=4 1704 B12R1.87 c1cc(c(c(c1)O)C#N)C(=O)O MB28219 [0,2,0,0,0,0|1,0,0]=3 1705 B12R1.87 c1cc(c(c(c1)O)C=O)C(=O)N MB36372 [0,2,0,0,0,0|1,0,1]=4 1706 B12R1.87 c1cc(c(c(c1)O)C=O)C(=O)O MB34160 [0,2,0,0,0,0|0,0,1]=3 1707 B12R1.87 c1cc(c(c(c1)O)CN)C(=O)N MB26624 [0,2,0,0,0,0|2,0,0]=4 1708 B12R1.87 c1cc(c(c(c1)O)CN)C(=O)O MB36539 [0,2,0,0,0,0|1,0,0]=3 1709 B12R1.87 c1cnc(c(c1C(=O)O)C=O)O AB84494 [0,2,0,0,0,0|1,0,1]=4 1710 B12R1.87 c1cnc(c(c1O)C=O)C(=O)O AB84466 [0,2,0,0,0,0|1,0,1]=4 1711 B12R1.261 B(c1ccccc1C(=O)C)(O)O AB09053 [0,2,0,0,0,0|1,0,0]=3 1712 B12R1.261 B(c1ccccc1C(=O)N)(O)O AB11162 [0,2,0,0,0,0|1,0,0]=3 1713 B12R1.261 B(c1ccccc1C(=O)O)(O)O AB08634 [0,2,0,0,0,0|0,0,0]=2 1714 B12R1.261 B(c1ccccc1S(=O)C)(O)O AB13630 [0,2,0,0,0,0|2,0,0]=4 1715 B12R1.261 B(c1ccccc1[N+](=O)[O-])(O)O AB04234 [0,2,0,0,0,0|1,0,1]=4 1716 B12R1.261 B(c1ccncc1C(=O)O)(O)O AB57837 [0,2,0,0,0,0|1,0,0]=3 1717 B12R1.261 B(c1cnccc1C(=O)O)(O)O AB57836 [0,2,0,0,0,0|1,0,0]=3 1718 B12R1.261 c1cc(c(nc1)C(=O)O)[N+](=O)[O-] PB26199 [0,2,0,0,0,0|1,0,1]=4 1719 B12R1.261 c1cc(c(nc1)[N+](=O)[O-])C(=O)O PB30788 [0,2,0,0,0,0|1,0,1]=4 1720 B12R1.261 c1cncc(c1C(=O)O)C(=O)O CB10042 [0,2,0,0,0,0|1,0,0]=3 1721 B12R1.261 c1cncc(c1C(=O)O)[N+](=O)[O-] PB26123 [0,2,0,0,0,0|1,0,1]=4 1722 B12R1.261 c1cncc(c1[N+](=O)[O-])C(=O)O AB18031 [0,2,0,0,0,0|1,0,1]=4 1723 B12R1.283 B(c1ccccc1COC)(O)O AB14377 [0,2,0,0,0,0|1,0,1]=4 1724 B12R1.283 B(c1ccccc1OCC)(O)O AB06922 [0,2,0,0,0,0|1,0,1]=4 1725 B12R1.283 CCOc1c(cccn1)C(=O)O AB03594 [0,2,0,0,0,0|1,0,0]=3 1726 B12R1.437 B(c1c(cccc1Cl)OC)(O)O AB17444 [0,2,0,0,0,0|1,0,1]=4 1727 B12R1.437 B(c1c(cccc1F)OC)(O)O AB11233 [0,2,0,0,0,0|1,0,1]=4 1728 B12R1.437 CC(=O)c1c(ccnc1C=O)O AB84227 [0,2,0,0,0,0|2,0,0]=4 1729 B12R1.437 CC(=O)c1c(ccnc1CCl)O AB84230 [0,2,0,0,0,0|2,0,0]=4 1730 B12R1.437 CC(=O)c1c(ccnc1O)C=O AB84244 [0,2,0,0,0,0|2,0,0]=4 1731 B12R1.437 CC(=O)c1c(ccnc1O)CCl AB84253 [0,2,0,0,0,0|2,0,0]=4 1732 B12R1.437 CC(=O)c1c(ccnc1O)OC AB84236 [0,2,0,0,0,0|2,0,0]=4 1733 B12R1.437 CC(=O)c1c(ccnc1OC)N AB83825 [0,2,0,0,0,0|2,0,0]=4 1734 B12R1.437 CC(=O)c1c(ccnc1OC)O AB74866 [0,2,0,0,0,0|2,0,0]=4 1735 B12R1.437 CC(=O)c1c(cncc1O)C=O AB84144 [0,2,0,0,0,0|2,0,0]=4 1736 B12R1.437 CC(=O)c1c(cncc1O)CCl AB84151 [0,2,0,0,0,0|2,0,0]=4 1737 B12R1.437 CC(=O)c1c(cncc1OC)N AB83769 [0,2,0,0,0,0|2,0,0]=4 1738 B12R1.437 CC(=O)c1c(cncc1OC)O AB84137 [0,2,0,0,0,0|2,0,0]=4 1739 B12R1.437 CCc1cccc(c1C(=O)N)O MB24046 [0,2,0,0,0,0|1,0,0]=3 1740 B12R1.437 CCc1cccc(c1C(=O)O)O MB24048 [0,2,0,0,0,0|0,0,0]=2 1741 B12R1.437 CNc1cccc(c1C(=O)N)O MB33143 [0,2,0,0,0,0|1,0,0]=3 1742 B12R1.437 CNc1cccc(c1C(=O)O)O MB36380 [0,2,0,0,0,0|0,0,0]=2 1743 B12R1.437 COc1c(c(ccn1)Cl)C(=O)O AB67016 [0,2,0,0,0,0|1,0,0]=3 1744 B12R1.437 COc1c(c(ccn1)F)C(=O)O AB67029 [0,2,0,0,0,0|1,0,0]=3 1745 B12R1.437 COc1c(c(ccn1)N)C(=O)O AB67037 [0,2,0,0,0,0|1,0,0]=3 1746 B12R1.437 COc1c(c(ccn1)O)C(=O)O AB67049 [0,2,0,0,0,0|1,0,0]=3 1747 B12R1.437 COc1cccc(c1C(=O)N)O MB30424 [0,2,0,0,0,0|1,0,0]=3 1748 B12R1.437 COc1ccnc(c1C(=O)O)Br AB67870 [0,2,0,0,0,0|1,0,0]=3 1749 B12R1.437 COc1ccnc(c1C(=O)O)F CB11677 [0,2,0,0,0,0|1,0,0]=3 1750 B12R1.437 COc1ccnc(c1C(=O)O)N AB23275 [0,2,0,0,0,0|1,0,0]=3 1751 B12R1.437 COc1cncc(c1C(=O)O)N AB63055 [0,2,0,0,0,0|1,0,0]=3 1752 B12R1.437 CSc1cccc(c1C(=O)N)O MB28633 [0,2,0,0,0,0|1,0,0]=3 1753 B12R1.437 CSc1cccc(c1C(=O)O)O MB33517 [0,2,0,0,0,0|0,0,0]=2 1754 B12R1.437 Cc1cccc(c1C(=O)O)OC MB01234 [0,2,0,0,0,0|0,0,0]=2 1755 B12R1.437 c1c(c(c(cn1)N)C(=O)O)C=O AB83386 [0,2,0,0,0,0|1,0,1]=4 1756 B12R1.437 c1cc(c(c(c1)F)C(=O)O)C#N PB10410 [0,2,0,0,0,0|1,0,0]=3 1757 B12R1.437 c1cc(c(c(c1)O)C(=O)N)C#N MB35026 [0,2,0,0,0,0|1,0,0]=3 1758 B12R1.437 c1cc(c(c(c1)O)C(=O)N)C=O MB31079 [0,2,0,0,0,0|1,0,0]=3 1759 B12R1.437 c1cc(c(c(c1)O)C(=O)N)CN MB27961 [0,2,0,0,0,0|1,0,0]=3 1760 B12R1.437 c1cc(c(c(c1)O)C(=O)O)C#N MB33148 [0,2,0,0,0,0|0,0,0]=2 1761 B12R1.437 c1cc(c(c(c1)O)C(=O)O)C=O MB25604 [0,2,0,0,0,0|0,0,0]=2 1762 B12R1.437 c1cnc(c(c1C=O)C(=O)O)N AB83477 [0,2,0,0,0,0|1,0,1]=4 1763 B12R1.437 c1cnc(c(c1N)C(=O)O)C=O AB83460 [0,2,0,0,0,0|1,0,1]=4 1764 B12R1.126 Cc1ccc(c(c1)O)S(=O)(=O)N MB23408 [0,2,0,0,0,0|1,0,1]=4 1765 B12R1.126 c1cc(c(cc1Br)O)S(=O)(=O)N MB32192 [0,2,0,0,0,0|1,0,1]=4 1766 B12R1.126 c1cc(c(cc1F)O)S(=O)(=O)N MB37180 [0,2,0,0,0,0|1,0,1]=4 1767 B12R1.126 c1cc(c(cc1I)O)S(=O)(=O)N MB32990 [0,2,0,0,0,0|1,0,1]=4 1768 B12R1.126 c1cc(c(cc1N)O)S(=O)(=O)N MB36626 [0,2,0,0,0,0|1,0,1]=4 1769 B12R1.128 Cc1ccc(c(c1)S(=O)(=O)N)O MB06224 [0,2,0,0,0,0|1,0,1]=4 1770 B12R1.128 c1cc(c(cc1F)S(=O)(=O)N)O MB25651 [0,2,0,0,0,0|1,0,1]=4 1771 B12R1.128 c1cc(c(cc1I)S(=O)(=O)N)O MB33627 [0,2,0,0,0,0|1,0,1]=4 1772 B12R1.128 c1cc(c(cc1N)S(=O)(=O)N)O MB29734 [0,2,0,0,0,0|1,0,1]=4 1773 B12R1.228 Cc1cccc(c1O)S(=O)(=O)N MB23470 [0,2,0,0,0,0|1,0,1]=4 1774 B12R1.228 c1cc(c(c(c1)Br)O)S(=O)(=O)N MB30987 [0,2,0,0,0,0|1,0,1]=4 1775 B12R1.228 c1cc(c(c(c1)Cl)O)S(=O)(=O)N MB28679 [0,2,0,0,0,0|1,0,1]=4 1776 B12R1.228 c1cc(c(c(c1)I)O)S(=O)(=O)N MB36190 [0,2,0,0,0,0|1,0,1]=4 1777 B12R1.228 c1cc(c(c(c1)S(=O)(=O)N)O)F MB34942 [0,2,0,0,0,0|1,0,1]=4 1778 B12R1.228 c1cc(c(c(c1)S(=O)(=O)N)O)N MB25422 [0,2,0,0,0,0|1,0,1]=4 1779 B12R1.1010 Cc1cccc(c1S(=O)(=O)N)O MB23505 [0,2,0,0,0,0|1,0,1]=4 1780 B12R1.1010 c1cc(c(c(c1)Cl)S(=O)(=O)N)O MB36292 [0,2,0,0,0,0|1,0,1]=4 1781 B12R1.1010 c1cc(c(c(c1)F)S(=O)(=O)N)O MB34900 [0,2,0,0,0,0|1,0,1]=4 1782 B12R1.1010 c1cc(c(c(c1)I)S(=O)(=O)N)O MB38272 [0,2,0,0,0,0|1,0,1]=4 1783 B12R1.1010 c1cc(c(c(c1)O)S(=O)(=O)N)N MB31474 [0,2,0,0,0,0|1,0,1]=4 1784 B12R1.894 Cc1c(ccc(c1[N+](=O)[O-])O)Br PB11262 [0,2,0,0,0,0|1,0,1]=4 1785 B12R1.894 Cc1c(cnc(c1C(=O)O)Cl)Br AB77318 [0,2,0,0,0,0|2,0,0]=4 1786 B12R1.894 Cc1c(cnc(c1C(=O)O)N)Br AB15099 [0,2,0,0,0,0|2,0,0]=4 1787 B12R1.894 Cc1cc[n+](c(c1C(=O)O)C)[O-] AB16720 [0,2,0,0,0,0|2,0,0]=4 1788 B12R1.894 Cc1cnc(c(c1C)C(=O)O)N AB71822 [0,2,0,0,0,0|2,0,0]=4 1789 B12R1.894 c1cc(c(c(c1Cl)C(=O)O)Cl)Br PB33431 [0,2,0,0,0,0|1,0,0]=3 1790 B12R1.894 c1cc(c(c(c1Cl)Cl)C(=O)O)Br AB31659 [0,2,0,0,0,0|1,0,0]=3 1791 B12R1.894 c1cc(c(c(c1F)C(=O)O)N)F AB09251 [0,2,0,0,0,0|1,0,0]=3 1792 B12R1.894 c1cc(c(c(c1F)F)C(=O)O)Br AB31662 [0,2,0,0,0,0|1,0,0]=3 1793 B12R1.894 c1cc(c(c(c1F)F)C(=O)O)Cl AB31668 [0,2,0,0,0,0|1,0,0]=3 1794 B12R1.894 c1cc(c(c(c1F)F)C(=O)O)I AB31665 [0,2,0,0,0,0|1,0,0]=3 1795 B12R1.894 c1cc(c(c(c1N)C(=O)O)Cl)Cl AB15584 [0,2,0,0,0,0|1,0,0]=3 1796 B12R1.894 c1cc(c(c(c1N)C(=O)O)F)F AB30448 [0,2,0,0,0,0|1,0,0]=3 1797 B12R1.894 c1cc(c(c(c1O)C(=O)O)F)F AB31839 [0,2,0,0,0,0|0,0,0]=2 1798 B12R1.1000 B(c1c(cc(cc1Cl)Cl)O)(O)O MB11552 [0,2,0,0,0,0|1,0,1]=4 1799 B12R1.1000 Cc1cc(c(c(n1)Cl)C(=O)O)Cl AB13101 [0,2,0,0,0,0|2,0,0]=4 1800 B12R1.1000 Cc1cc(cc(c1C(=O)O)C)Br MB08312 [0,2,0,0,0,0|1,0,0]=3 1801 B12R1.1000 Cc1cc(cc(c1C(=O)O)C)O CB10467 [0,2,0,0,0,0|1,0,0]=3 1802 B12R1.1000 Cc1cc(nc(c1C(=O)O)C)Cl AB23712 [0,2,0,0,0,0|2,0,0]=4 1803 B12R1.1000 Cc1cc(nc(c1C(=O)O)Cl)Cl PB15719 [0,2,0,0,0,0|2,0,0]=4 1804 B12R1.1000 c1c(c(c(nc1Cl)Cl)C(=O)O)N AB76234 [0,2,0,0,0,0|2,0,0]=4 1805 B12R1.1000 c1c(cc(c(c1Cl)C(=O)N)Cl)Br MB14420 [0,2,0,0,0,0|2,0,0]=4 1806 B12R1.1000 c1c(cc(c(c1Cl)C(=O)O)Cl)Br MB09861 [0,2,0,0,0,0|1,0,0]=3 1807 B12R1.1000 c1c(cc(c(c1F)C(=O)O)F)Br CB10650 [0,2,0,0,0,0|1,0,0]=3 1808 B12R1.1000 c1c(cc(c(c1N)C(=O)O)F)F AB15580 [0,2,0,0,0,0|1,0,0]=3 1809 B12R1.3441 CNC(=O)c1c(cccc1Br)O MB25113 [0,2,0,0,0,0|1,0,0]=3 1810 B12R1.3441 CNC(=O)c1c(cccc1Cl)O MB25117 [0,2,0,0,0,0|1,0,0]=3 1811 B12R1.3441 CNC(=O)c1c(cccc1F)O MB25092 [0,2,0,0,0,0|1,0,0]=3 1812 B12R1.3441 CNC(=O)c1c(cccc1I)O MB25096 [0,2,0,0,0,0|1,0,0]=3 1813 B12R1.3441 CNC(=O)c1c(cccc1O)N MB25069 [0,2,0,0,0,0|1,0,0]=3 1814 B12R1.3441 COC(=O)c1c(cccc1Br)Cl MB02960 [0,2,0,0,0,0|1,0,0]=3 1815 B12R1.3441 COC(=O)c1c(cccc1F)N MB02037 [0,2,0,0,0,0|1,0,0]=3 1816 B12R1.3441 COC(=O)c1c(ccnc1Cl)Cl PB14881 [0,2,0,0,0,0|2,0,0]=4 1817 B12R1.3441 COC(=O)c1c(ccnc1Cl)I AB17422 [0,2,0,0,0,0|2,0,0]=4 1818 B12R1.3441 COC(=O)c1c(ccnc1Cl)N PB30425 [0,2,0,0,0,0|2,0,0]=4 1819 B12R1.3441 Cc1cccc(c1C(=O)NC)O MB25066 [0,2,0,0,0,0|1,0,0]=3 1820 B12R1.3441 Cc1cccc(c1C(=O)OC)O MB04157 [0,2,0,0,0,0|0,0,0]=2 1821 B12R1.3441 c1cc(c(c(c1)F)C(=O)C=O)F AB49788 [0,2,0,0,0,0|1,0,1]=4 1822 B12R1.24 CNC(=O)c1cccc(c1Br)O MB27164 [0,2,0,0,0,0|2,0,0]=4 1823 B12R1.24 CNC(=O)c1cccc(c1F)O MB28045 [0,2,0,0,0,0|2,0,0]=4 1824 B12R1.24 CNC(=O)c1cccc(c1I)O MB29470 [0,2,0,0,0,0|2,0,0]=4 1825 B12R1.24 CNC(=O)c1cccc(c1N)O MB36494 [0,2,0,0,0,0|2,0,0]=4 1826 B12R1.24 CNC(=O)c1cccc(c1O)Br MB35529 [0,2,0,0,0,0|1,0,0]=3 1827 B12R1.24 CNC(=O)c1cccc(c1O)F MB30084 [0,2,0,0,0,0|1,0,0]=3 1828 B12R1.24 CNC(=O)c1cccc(c1O)I MB30159 [0,2,0,0,0,0|1,0,0]=3 1829 B12R1.24 CNC(=O)c1cccc(c1O)N MB25677 [0,2,0,0,0,0|1,0,0]=3 1830 B12R1.24 COC(=O)c1cccc(c1Br)N MB03033 [0,2,0,0,0,0|1,0,0]=3 1831 B12R1.24 COC(=O)c1cccc(c1Cl)O AB68875 [0,2,0,0,0,0|1,0,0]=3 1832 B12R1.24 COC(=O)c1cccc(c1F)Br MB07194 [0,2,0,0,0,0|1,0,0]=3 1833 B12R1.24 COC(=O)c1cccc(c1O)N AB53733 [0,2,0,0,0,0|0,0,0]=2 1834 B12R1.24 COC(=O)c1ccnc(c1N)Cl AB14204 [0,2,0,0,0,0|2,0,0]=4 1835 B12R1.24 Cc1c(cccc1O)C(=O)NC MB30831 [0,2,0,0,0,0|2,0,0]=4 1836 B12R1.24 Cc1c(ccnc1Cl)C(=O)OC AB44663 [0,2,0,0,0,0|2,0,0]=4 1837 B12R1.24 Cc1cccc(c1N)C(=O)OC PB29358 [0,2,0,0,0,0|1,0,0]=3 1838 B12R1.24 Cc1cccc(c1O)C(=O)NC MB09397 [0,2,0,0,0,0|1,0,0]=3 1839 B12R1.24 Cn1cccc(c1=O)C(=O)OC PB26031 [0,2,0,0,0,0|1,0,1]=4 1840 B12R1.24 c1cc(c(c(c1)Cl)Cl)C(=O)NN MB02428 [0,2,0,0,0,0|2,0,0]=4 1841 B12R1.24 c1cc(c(c(c1)F)F)C(=O)NN MB02362 [0,2,0,0,0,0|2,0,0]=4 1842 B12R1.440 B(c1cccc(c1O)OC)(O)O AB48276 [0,2,0,0,0,0|1,0,1]=4 1843 B12R1.440 CC(=O)c1c(c(ccn1)C=O)O AB84348 [0,2,0,0,0,0|2,0,0]=4 1844 B12R1.440 CC(=O)c1c(c(ccn1)CCl)O AB84352 [0,2,0,0,0,0|2,0,0]=4 1845 B12R1.440 CC(=O)c1c(c(ccn1)OC)O AB84341 [0,2,0,0,0,0|2,0,0]=4 1846 B12R1.440 CC(=O)c1ccnc(c1O)C=O AB84122 [0,2,0,0,0,0|2,0,0]=4 1847 B12R1.440 CC(=O)c1ccnc(c1O)OC AB74868 [0,2,0,0,0,0|2,0,0]=4 1848 B12R1.440 CC(=O)c1cncc(c1O)C=O AB84188 [0,2,0,0,0,0|2,0,0]=4 1849 B12R1.440 CC(=O)c1cncc(c1O)CCl AB84195 [0,2,0,0,0,0|2,0,0]=4 1850 B12R1.440 CC(=O)c1cncc(c1O)OC AB84179 [0,2,0,0,0,0|2,0,0]=4 1851 B12R1.440 CCc1cccc(c1O)C(=O)N MB24004 [0,2,0,0,0,0|1,0,0]=3 1852 B12R1.440 CCc1cccc(c1O)C(=O)O MB09458 [0,2,0,0,0,0|0,0,0]=2 1853 B12R1.440 COc1c(c(ccn1)C(=O)O)F AB66803 [0,2,0,0,0,0|2,0,0]=4 1854 B12R1.440 COc1c(c(ccn1)C(=O)O)N AB75431 [0,2,0,0,0,0|2,0,0]=4 1855 B12R1.440 COc1cccc(c1F)C(=O)O AB11420 [0,2,0,0,0,0|1,0,0]=3 1856 B12R1.440 COc1cccc(c1O)C(=O)N MB03777 [0,2,0,0,0,0|1,0,0]=3 1857 B12R1.440 COc1ccnc(c1N)C(=O)O AB75476 [0,2,0,0,0,0|2,0,0]=4 1858 B12R1.440 COc1cncc(c1N)C(=O)O AB83419 [0,2,0,0,0,0|2,0,0]=4 1859 B12R1.440 CSc1cccc(c1O)C(=O)N MB26226 [0,2,0,0,0,0|1,0,0]=3 1860 B12R1.440 CSc1cccc(c1O)C(=O)O MB25594 [0,2,0,0,0,0|0,0,0]=2 1861 B12R1.440 c1c(c(c(cn1)C(=O)O)N)C=O AB83424 [0,2,0,0,0,0|2,0,0]=4 1862 B12R1.440 c1c(c(c(cn1)C(=O)O)O)C=O AB84424 [0,2,0,0,0,0|1,0,0]=3 1863 B12R1.440 c1cc(c(c(c1)C(=O)N)O)C#N MB34449 [0,2,0,0,0,0|1,0,0]=3 1864 B12R1.440 c1cc(c(c(c1)C(=O)N)O)C=O MB35367 [0,2,0,0,0,0|1,0,0]=3 1865 B12R1.440 c1cc(c(c(c1)C(=O)N)O)CN MB28794 [0,2,0,0,0,0|1,0,0]=3 1866 B12R1.440 c1cc(c(c(c1)C(=O)O)F)C#N MB07191 [0,2,0,0,0,0|1,0,0]=3 1867 B12R1.440 c1cc(c(c(c1)C(=O)O)O)C#N MB25554 [0,2,0,0,0,0|0,0,0]=2 1868 B12R1.440 c1cnc(c(c1C(=O)O)N)C=O AB83371 [0,2,0,0,0,0|2,0,0]=4 1869 B12R1.440 c1cnc(c(c1C(=O)O)O)C=O AB84608 [0,2,0,0,0,0|1,0,0]=3 1870 B12R1.440 c1cnc(c(c1C=O)N)C(=O)O AB83579 [0,2,0,0,0,0|2,0,0]=4 1871 B12R1.440 c1cnc(c(c1C=O)O)C(=O)O AB84369 [0,2,0,0,0,0|1,0,0]=3 1872 B12R1.511 Cc1cc(c(c(c1)C(=O)N)N)C AB65887 [0,2,0,0,0,0|2,0,0]=4 1873 B12R1.511 Cc1cc(c(c(c1)O)C)C(=O)O AB24927 [0,2,0,0,0,0|1,0,0]=3 1874 B12R1.511 Cc1cc(cc(c1O)C(=O)O)Cl AB23162 [0,2,0,0,0,0|0,0,0]=2 1875 B12R1.511 Cc1cc(cc(c1O)[N+](=O)[O-])Br AB53057 [0,2,0,0,0,0|1,0,1]=4 1876 B12R1.511 Cn1cc(cc(c1=O)C(=O)O)Br PB30252 [0,2,0,0,0,0|1,0,1]=4 1877 B12R1.511 c1c(cc(c(c1C(=O)O)F)F)Br AB21087 [0,2,0,0,0,0|1,0,0]=3 1878 B12R1.511 c1c(cc(c(c1C(=O)O)F)F)N AB21104 [0,2,0,0,0,0|1,0,0]=3 1879 B12R1.511 c1c(cc(c(c1C(=O)O)I)Cl)Cl MB03052 [0,2,0,0,0,0|1,0,0]=3 1880 B12R1.511 c1c(cc(c(c1C(=O)O)N)F)F AB09248 [0,2,0,0,0,0|1,0,0]=3 1881 B12R1.511 c1c(cc(c(c1C(=O)O)O)Br)Cl MB01635 [0,2,0,0,0,0|0,0,0]=2 1882 B12R1.511 c1c(cc(c(c1[N+](=O)[O-])O)Cl)Br AB53061 [0,2,0,0,0,0|1,0,1]=4 1883 B12R1.893 Cc1c(c(ccc1C(=O)O)N)C CB10793 [0,2,0,0,0,0|1,0,0]=3 1884 B12R1.893 c1c(c(c(c(n1)F)F)Cl)C(=O)O PB12582 [0,2,0,0,0,0|2,0,0]=4 1885 B12R1.893 c1cc(c(c(c1C(=O)O)F)F)Br AB31740 [0,2,0,0,0,0|1,0,0]=3 1886 B12R1.893 c1cc(c(c(c1C(=O)O)F)F)Cl AB31744 [0,2,0,0,0,0|1,0,0]=3 1887 B12R1.893 c1cc(c(c(c1C(=O)O)F)F)I AB31747 [0,2,0,0,0,0|1,0,0]=3 1888 B12R1.893 c1cc(c(c(c1C(=O)O)F)F)N AB17887 [0,2,0,0,0,0|1,0,0]=3 1889 B12R1.893 c1cc(c(c(c1C(=O)O)N)F)F AB51174 [0,2,0,0,0,0|1,0,0]=3 1890 B12R1.893 c1cc(c(c(c1C(=O)O)O)N)O MB08940 [0,2,0,0,0,0|0,0,0]=2 1891 B12R1.232 CC(=O)c1cc(c(cc1O)Cl)F MB07188 [0,2,0,0,0,0|1,0,0]=3 1892 B12R1.232 CC(=O)c1cc(c(cc1O)O)Cl MB02763 [0,2,0,0,0,0|1,0,0]=3 1893 B12R1.232 c1c(c(cc(c1Br)O)O)C(=O)O AB00226 [0,2,0,0,0,0|0,0,0]=2 1894 B12R1.232 c1c(c(cc(c1F)F)F)C(=O)O AB01123 [0,2,0,0,0,0|1,0,0]=3 1895 B12R1.232 c1c(c(cc(c1F)F)O)[N+](=O)[O-] AB13308 [0,2,0,0,0,0|1,0,1]=4 1896 B12R1.232 c1c(c(cc(c1N)O)O)C(=O)O MB08936 [0,2,0,0,0,0|0,0,0]=2 1897 B12R1.452 B(=O)c1ccc(c(c1)Cl)C(=O)Cl AB30721 [0,2,0,0,0,0|2,0,0]=4 1898 B12R1.452 CC(=O)c1c(cc(cn1)C=O)O AB84321 [0,2,0,0,0,0|2,0,0]=4 1899 B12R1.452 CC(=O)c1c(cc(cn1)CCl)O AB84327 [0,2,0,0,0,0|2,0,0]=4 1900 B12R1.452 CC(=O)c1c(cc(cn1)OC)O AB74834 [0,2,0,0,0,0|2,0,0]=4 1901 B12R1.452 CC(=O)c1ccc(cc1F)OC PB30564 [0,2,0,0,0,0|2,0,0]=4 1902 B12R1.452 CC(=O)c1ccc(nc1O)C=O AB84282 [0,2,0,0,0,0|2,0,0]=4 1903 B12R1.452 CC(=O)c1ccc(nc1O)CCl AB84289 [0,2,0,0,0,0|2,0,0]=4 1904 B12R1.452 CC(=O)c1ccc(nc1O)OC AB84275 [0,2,0,0,0,0|2,0,0]=4 1905 B12R1.452 CC(=O)c1cnc(cc1O)C=O AB84203 [0,2,0,0,0,0|2,0,0]=4 1906 B12R1.452 CC(=O)c1cnc(cc1O)CCl AB84209 [0,2,0,0,0,0|2,0,0]=4 1907 B12R1.452 CC(=O)c1cnc(cc1O)OC AB72642 [0,2,0,0,0,0|2,0,0]=4 1908 B12R1.452 CCc1ccc(c(c1)O)C(=O)N MB23792 [0,2,0,0,0,0|1,0,0]=3 1909 B12R1.452 CCc1ccc(c(c1)O)C(=O)O MB23797 [0,2,0,0,0,0|0,0,0]=2 1910 B12R1.452 CCc1ccc(c(n1)O)C(=O)O AB53119 [0,2,0,0,0,0|1,0,0]=3 1911 B12R1.452 CNc1ccc(c(c1)O)C(=O)N MB37392 [0,2,0,0,0,0|1,0,0]=3 1912 B12R1.452 CNc1ccc(c(c1)O)C(=O)O MB10618 [0,2,0,0,0,0|0,0,0]=2 1913 B12R1.452 COc1cc(c(cn1)C(=O)O)Br AB67019 [0,2,0,0,0,0|2,0,0]=4 1914 B12R1.452 COc1cc(c(cn1)C(=O)O)Cl AB67014 [0,2,0,0,0,0|2,0,0]=4 1915 B12R1.452 COc1cc(c(cn1)C(=O)O)F AB67025 [0,2,0,0,0,0|2,0,0]=4 1916 B12R1.452 COc1cc(c(cn1)C(=O)O)N PB26882 [0,2,0,0,0,0|2,0,0]=4 1917 B12R1.452 COc1cc(c(cn1)C(=O)O)O AB67046 [0,2,0,0,0,0|1,0,0]=3 1918 B12R1.452 COc1cc(c(nc1)C(=O)O)N AB77164 [0,2,0,0,0,0|2,0,0]=4 1919 B12R1.452 COc1ccc(c(c1)N)C(=O)O AB06724 [0,2,0,0,0,0|1,0,0]=3 1920 B12R1.452 COc1ccc(c(n1)Cl)C(=O)O AB44161 [0,2,0,0,0,0|2,0,0]=4 1921 B12R1.452 COc1ccc(c(n1)N)C(=O)O AB69714 [0,2,0,0,0,0|2,0,0]=4 1922 B12R1.452 CSc1ccc(c(c1)O)C(=O)N MB38873 [0,2,0,0,0,0|1,0,0]=3 1923 B12R1.452 CSc1ccc(c(c1)O)C(=O)O MB07648 [0,2,0,0,0,0|0,0,0]=2 1924 B12R1.452 c1c(cnc(c1Cl)C(=O)O)C=O AB73621 [0,2,0,0,0,0|2,0,0]=4 1925 B12R1.452 c1c(cnc(c1N)C(=O)O)C=O AB83553 [0,2,0,0,0,0|2,0,0]=4 1926 B12R1.452 c1c(ncc(c1N)C(=O)O)C=O AB83443 [0,2,0,0,0,0|2,0,0]=4 1927 B12R1.452 c1cc(c(cc1C#N)O)C(=O)N MB30427 [0,2,0,0,0,0|1,0,0]=3 1928 B12R1.452 c1cc(c(cc1C#N)O)C(=O)O MB26600 [0,2,0,0,0,0|0,0,0]=2 1929 B12R1.452 c1cc(c(cc1C#N)O)[N+](=O)[O-] AB25570 [0,2,0,0,0,0|1,0,1]=4 1930 B12R1.452 c1cc(c(cc1C=O)O)C(=O)N MB37703 [0,2,0,0,0,0|1,0,0]=3 1931 B12R1.452 c1cc(c(cc1C=O)O)C(=O)O MB30837 [0,2,0,0,0,0|0,0,0]=2 1932 B12R1.452 c1cc(c(cc1C=O)O)[N+](=O)[O-] AB00841 [0,2,0,0,0,0|1,0,1]=4 1933 B12R1.452 c1cc(c(cc1CBr)O)[N+](=O)[O-] AB72527 [0,2,0,0,0,0|1,0,1]=4 1934 B12R1.452 c1cc(c(cc1CN)O)C(=O)N MB36467 [0,2,0,0,0,0|1,0,0]=3 1935 B12R1.452 c1cc(c(cc1NN)Br)C(=O)N MB19783 [0,2,0,0,0,0|2,0,0]=4 1936 B12R1.452 c1cc(c(nc1C=O)N)C(=O)O AB83510 [0,2,0,0,0,0|2,0,0]=4 1937 B12R1.1703 CCC(=O)c1ccc(cc1F)Br MB09679 [0,2,0,0,0,0|2,0,0]=4 1938 B12R1.1703 CNC(=O)c1ccc(cc1Br)O MB30771 [0,2,0,0,0,0|2,0,0]=4 1939 B12R1.1703 CNC(=O)c1ccc(cc1Cl)O MB37760 [0,2,0,0,0,0|2,0,0]=4 1940 B12R1.1703 CNC(=O)c1ccc(cc1F)O MB34809 [0,2,0,0,0,0|2,0,0]=4 1941 B12R1.1703 CNC(=O)c1ccc(cc1I)O MB34084 [0,2,0,0,0,0|2,0,0]=4 1942 B12R1.1703 CNC(=O)c1ccc(cc1N)Br AB65732 [0,2,0,0,0,0|2,0,0]=4 1943 B12R1.1703 CNC(=O)c1ccc(cc1N)Cl AB49593 [0,2,0,0,0,0|2,0,0]=4 1944 B12R1.1703 CNC(=O)c1ccc(cc1N)O MB30252 [0,2,0,0,0,0|2,0,0]=4 1945 B12R1.1703 CNC(=O)c1ccc(cc1O)Br MB14847 [0,2,0,0,0,0|1,0,0]=3 1946 B12R1.1703 CNC(=O)c1ccc(cc1O)Cl MB09389 [0,2,0,0,0,0|1,0,0]=3 1947 B12R1.1703 CNC(=O)c1ccc(cc1O)F MB25343 [0,2,0,0,0,0|1,0,0]=3 1948 B12R1.1703 CNC(=O)c1ccc(cc1O)I MB25350 [0,2,0,0,0,0|1,0,0]=3 1949 B12R1.1703 CNC(=O)c1ccc(cc1O)N MB25357 [0,2,0,0,0,0|1,0,0]=3 1950 B12R1.1703 COC(=O)c1c(cc(cn1)Br)N PB33334 [0,2,0,0,0,0|2,0,0]=4 1951 B12R1.1703 COC(=O)c1c(cc(nn1)O)O AB55526 [0,2,0,0,0,0|2,0,0]=4 1952 B12R1.1703 COC(=O)c1ccc(cc1Br)F AB23216 [0,2,0,0,0,0|1,0,0]=3 1953 B12R1.1703 COC(=O)c1ccc(cc1Cl)F PB10114 [0,2,0,0,0,0|1,0,0]=3 1954 B12R1.1703 COC(=O)c1ccc(nc1Br)N AB73582 [0,2,0,0,0,0|2,0,0]=4 1955 B12R1.1703 COC(=O)c1ccc(nc1Cl)N AB70592 [0,2,0,0,0,0|2,0,0]=4 1956 B12R1.1703 COC(=O)c1ccc(nc1F)F AB48567 [0,2,0,0,0,0|2,0,0]=4 1957 B12R1.1703 COC(=O)c1ccc(nc1N)Cl PB30193 [0,2,0,0,0,0|2,0,0]=4 1958 B12R1.1703 COC(=O)c1cnc(cc1Br)N AB73580 [0,2,0,0,0,0|2,0,0]=4 1959 B12R1.1703 COC(=O)c1cnc(cc1Cl)Cl PB23404 [0,2,0,0,0,0|2,0,0]=4 1960 B12R1.1703 COC(=O)c1cnc(cc1Cl)N AB73574 [0,2,0,0,0,0|2,0,0]=4 1961 B12R1.1703 Cc1c(ccc(n1)N)C(=O)OC AB43431 [0,2,0,0,0,0|2,0,0]=4 1962 B12R1.1703 Cc1c(ccc(n1)O)C(=O)OC AB64410 [0,2,0,0,0,0|2,0,0]=4 1963 B12R1.1703 Cc1cc(c(cn1)C(=O)OC)Br AB40710 [0,2,0,0,0,0|2,0,0]=4 1964 B12R1.1703 Cc1cc(c(cn1)C(=O)OC)Cl AB40714 [0,2,0,0,0,0|2,0,0]=4 1965 B12R1.1703 Cc1cc(ccc1C(=O)OC)Br AB55602 [0,2,0,0,0,0|1,0,0]=3 1966 B12R1.1703 Cc1cc(cnc1C(=O)OC)Br AB41229 [0,2,0,0,0,0|2,0,0]=4 1967 B12R1.1703 Cc1cc(cnc1C(=O)OC)Cl AB41234 [0,2,0,0,0,0|2,0,0]=4 1968 B12R1.1703 Cc1ccc(c(c1)Br)C(=O)OC AB16571 [0,2,0,0,0,0|1,0,0]=3 1969 B12R1.1703 Cc1ccc(c(c1)O)C(=O)NC MB09401 [0,2,0,0,0,0|1,0,0]=3 1970 B12R1.1703 Cc1ccc(c(n1)O)C(=O)OC AB55505 [0,2,0,0,0,0|1,0,0]=3 1971 B12R1.1703 c1cc(c(cc1Cl)Cl)C(=O)CN CB10300 [0,2,0,0,0,0|2,0,0]=4 1972 B12R1.1703 c1cc(c(cc1F)F)C(=O)C=O AB14112 [0,2,0,0,0,0|1,0,1]=4 1973 B12R1.1703 c1cc(c(cc1O)O)C(=O)CBr AB16102 [0,2,0,0,0,0|1,0,0]=3 1974 B12R1.354 CCC(=O)c1cc(ccc1F)Br MB09680 [0,2,0,0,0,0|2,0,0]=4 1975 B12R1.354 CNC(=O)c1cc(ccc1Br)O MB25272 [0,2,0,0,0,0|2,0,0]=4 1976 B12R1.354 CNC(=O)c1cc(ccc1Cl)O MB25276 [0,2,0,0,0,0|2,0,0]=4 1977 B12R1.354 CNC(=O)c1cc(ccc1F)O MB25242 [0,2,0,0,0,0|2,0,0]=4 1978 B12R1.354 CNC(=O)c1cc(ccc1I)O MB25246 [0,2,0,0,0,0|2,0,0]=4 1979 B12R1.354 CNC(=O)c1cc(ccc1N)O MB25249 [0,2,0,0,0,0|2,0,0]=4 1980 B12R1.354 CNC(=O)c1cc(ccc1O)Br MB06709 [0,2,0,0,0,0|1,0,0]=3 1981 B12R1.354 CNC(=O)c1cc(ccc1O)Cl MB09405 [0,2,0,0,0,0|1,0,0]=3 1982 B12R1.354 CNC(=O)c1cc(ccc1O)F MB25156 [0,2,0,0,0,0|1,0,0]=3 1983 B12R1.354 CNC(=O)c1cc(ccc1O)I MB25157 [0,2,0,0,0,0|1,0,0]=3 1984 B12R1.354 CNC(=O)c1cc(ccc1O)N MB25165 [0,2,0,0,0,0|1,0,0]=3 1985 B12R1.354 COC(=O)c1c(ccc(n1)Cl)N PB13808 [0,2,0,0,0,0|2,0,0]=4 1986 B12R1.354 COC(=O)c1c(ncc(n1)Cl)O AB60443 [0,2,0,0,0,0|2,0,0]=4 1987 B12R1.354 COC(=O)c1cc(ccc1Br)F AB03201 [0,2,0,0,0,0|1,0,0]=3 1988 B12R1.354 COC(=O)c1cc(ccc1Br)N MB00599 [0,2,0,0,0,0|1,0,0]=3 1989 B12R1.354 COC(=O)c1cc(cnc1Br)Br PB26964 [0,2,0,0,0,0|2,0,0]=4 1990 B12R1.354 COC(=O)c1cc(cnc1Br)Cl AB70566 [0,2,0,0,0,0|2,0,0]=4 1991 B12R1.354 COC(=O)c1cc(cnc1Br)F AB70569 [0,2,0,0,0,0|2,0,0]=4 1992 B12R1.354 COC(=O)c1cc(cnc1Cl)Br PB26106 [0,2,0,0,0,0|2,0,0]=4 1993 B12R1.354 COC(=O)c1cc(cnc1Cl)Cl AB16809 [0,2,0,0,0,0|2,0,0]=4 1994 B12R1.354 COC(=O)c1cc(cnc1Cl)F AB51576 [0,2,0,0,0,0|2,0,0]=4 1995 B12R1.354 COC(=O)c1cc(cnc1Cl)N AB64794 [0,2,0,0,0,0|2,0,0]=4 1996 B12R1.354 COC(=O)c1cc(cnc1N)Br PB15783 [0,2,0,0,0,0|2,0,0]=4 1997 B12R1.354 COC(=O)c1cc(cnc1N)Cl AB49362 [0,2,0,0,0,0|2,0,0]=4 1998 B12R1.354 COC(=O)c1cc(cnc1O)Br PB22109 [0,2,0,0,0,0|1,0,0]=3 1999 B12R1.354 COC(=O)c1cc(cnc1O)Cl AB44644 [0,2,0,0,0,0|1,0,0]=3 2000 B12R1.354 COC(=O)c1cc(cnc1O)I AB43751 [0,2,0,0,0,0|1,0,0]=3 2001 B12R1.354 COC(=O)c1cc(ncc1Br)Cl AB41198 [0,2,0,0,0,0|2,0,0]=4 2002 B12R1.354 COC(=O)c1cc(ncc1N)Br PB19740 [0,2,0,0,0,0|2,0,0]=4 2003 B12R1.354 Cc1c(cc(cn1)Cl)C(=O)OC CB11364 [0,2,0,0,0,0|2,0,0]=4 2004 B12R1.354 Cc1c(cc(cn1)F)C(=O)OC AB74561 [0,2,0,0,0,0|2,0,0]=4 2005 B12R1.354 Cc1cc(c(nc1)Cl)C(=O)OC AB41818 [0,2,0,0,0,0|2,0,0]=4 2006 B12R1.354 Cc1ccc(c(c1)C(=O)NC)O MB09387 [0,2,0,0,0,0|1,0,0]=3 2007 B12R1.354 Cc1ccc(cc1C(=O)NC)O MB25214 [0,2,0,0,0,0|2,0,0]=4 2008 B12R1.354 Cc1ccc(cc1C(=O)OC)Br AB53585 [0,2,0,0,0,0|1,0,0]=3 2009 B12R1.354 Cc1ccc(cc1C(=O)OC)O CB11516 [0,2,0,0,0,0|1,0,0]=3 2010 B12R1.354 c1cc(c(cc1F)C(=O)C=O)F AB49787 [0,2,0,0,0,0|1,0,1]=4 2011 B12R1.354 c1cc(c(cc1F)C(=O)CCl)F AB20618 [0,2,0,0,0,0|2,0,0]=4 2012 B12R1.453 B(c1cc(ccc1O)C#N)(O)O AB59781 [0,2,0,0,0,0|1,0,1]=4 2013 B12R1.453 CC(=O)c1c(ccc(n1)C=O)O AB84301 [0,2,0,0,0,0|2,0,0]=4 2014 B12R1.453 CC(=O)c1c(ccc(n1)CCl)O AB84307 [0,2,0,0,0,0|2,0,0]=4 2015 B12R1.453 CC(=O)c1c(ccc(n1)OC)O AB71440 [0,2,0,0,0,0|2,0,0]=4 2016 B12R1.453 CC(=O)c1cc(cnc1O)C=O AB84265 [0,2,0,0,0,0|2,0,0]=4 2017 B12R1.453 CC(=O)c1cc(cnc1O)CCl AB84269 [0,2,0,0,0,0|2,0,0]=4 2018 B12R1.453 CC(=O)c1cc(cnc1O)OC AB84257 [0,2,0,0,0,0|2,0,0]=4 2019 B12R1.453 CC(=O)c1cc(ncc1O)C=O AB84161 [0,2,0,0,0,0|2,0,0]=4 2020 B12R1.453 CC(=O)c1cc(ncc1O)CCl AB84166 [0,2,0,0,0,0|2,0,0]=4 2021 B12R1.453 CC(=O)c1cc(ncc1O)OC AB69290 [0,2,0,0,0,0|2,0,0]=4 2022 B12R1.453 CCc1ccc(c(c1)C(=O)N)O MB23859 [0,2,0,0,0,0|1,0,0]=3 2023 B12R1.453 CCc1ccc(c(c1)C(=O)O)O MB09459 [0,2,0,0,0,0|0,0,0]=2 2024 B12R1.453 CNc1ccc(c(c1)C(=O)N)O MB34583 [0,2,0,0,0,0|1,0,0]=3 2025 B12R1.453 CNc1ccc(c(c1)C(=O)O)O MB36368 [0,2,0,0,0,0|0,0,0]=2 2026 B12R1.453 COc1cc(c(cn1)Br)C(=O)O AB41196 [0,2,0,0,0,0|2,0,0]=4 2027 B12R1.453 COc1cc(c(cn1)Cl)C(=O)O AB41192 [0,2,0,0,0,0|2,0,0]=4 2028 B12R1.453 COc1cc(c(cn1)N)C(=O)O PB30757 [0,2,0,0,0,0|2,0,0]=4 2029 B12R1.453 COc1cc(c(nc1)Cl)C(=O)O PB25567 [0,2,0,0,0,0|2,0,0]=4 2030 B12R1.453 COc1cc(c(nc1)N)C(=O)O AB83489 [0,2,0,0,0,0|2,0,0]=4 2031 B12R1.453 COc1ccc(c(c1)C(=O)N)O MB00843 [0,2,0,0,0,0|1,0,0]=3 2032 B12R1.453 COc1ccc(c(n1)C(=O)O)Br AB66791 [0,2,0,0,0,0|2,0,0]=4 2033 B12R1.453 COc1ccc(c(n1)C(=O)O)Cl AB62921 [0,2,0,0,0,0|2,0,0]=4 2034 B12R1.453 COc1ccc(c(n1)C(=O)O)N AB50525 [0,2,0,0,0,0|2,0,0]=4 2035 B12R1.453 CSc1ccc(c(c1)C(=O)N)O MB29871 [0,2,0,0,0,0|1,0,0]=3 2036 B12R1.453 Cc1ccc(cc1C(=O)O)C#N AB68603 [0,2,0,0,0,0|1,0,0]=3 2037 B12R1.453 c1c(cnc(c1C(=O)O)N)C=O AB83491 [0,2,0,0,0,0|2,0,0]=4 2038 B12R1.453 c1c(ncc(c1C(=O)O)N)C=O AB83402 [0,2,0,0,0,0|2,0,0]=4 2039 B12R1.453 c1cc(c(cc1C#N)C(=O)N)O MB11926 [0,2,0,0,0,0|1,0,0]=3 2040 B12R1.453 c1cc(c(cc1C#N)C(=O)O)I MB14468 [0,2,0,0,0,0|1,0,0]=3 2041 B12R1.453 c1cc(c(cc1C#N)C(=O)O)O MB25595 [0,2,0,0,0,0|0,0,0]=2 2042 B12R1.453 c1cc(c(cc1C=O)C(=O)N)O MB13460 [0,2,0,0,0,0|1,0,0]=3 2043 B12R1.453 c1cc(c(cc1CN)C(=O)N)O MB35030 [0,2,0,0,0,0|1,0,0]=3 2044 B12R1.453 c1cc(c(cc1CN)C(=O)O)O MB01553 [0,2,0,0,0,0|0,0,0]=2 2045 B12R1.453 c1cc(c(nc1C=O)C(=O)O)N AB83534 [0,2,0,0,0,0|2,0,0]=4 2046 B12R1.453 c1cc(c(nc1CCl)C(=O)O)N AB83539 [0,2,0,0,0,0|2,0,0]=4 2047 B12R1.308 CCOC(=O)c1c(cccn1)Br AB68905 [0,2,0,0,0,0|2,0,0]=4 2048 B12R1.308 CCOC(=O)c1c(cccn1)C AB64448 [0,2,0,0,0,0|2,0,0]=4 2049 B12R1.308 CCOC(=O)c1c(cccn1)N AB06627 [0,2,0,0,0,0|2,0,0]=4 2050 B12R1.308 CCOC(=O)c1cccnc1C AB00718 [0,2,0,0,0,0|2,0,0]=4 2051 B12R1.308 CCOC(=O)c1cccnc1N PB26067 [0,2,0,0,0,0|2,0,0]=4 2052 B12R1.308 CCOC(=O)c1cccnc1O AB53419 [0,2,0,0,0,0|1,0,0]=3 2053 B12R1.308 CCOC(=O)c1ccncc1N AB15955 [0,2,0,0,0,0|2,0,0]=4 2054 B12R1.308 CCOC(=O)c1ccncc1O PB32752 [0,2,0,0,0,0|1,0,0]=3 2055 B12R1.308 CCOC(=O)c1cnccc1C AB62589 [0,2,0,0,0,0|2,0,0]=4 2056 B12R1.308 CCOC(=O)c1cnccc1Cl AB30313 [0,2,0,0,0,0|2,0,0]=4 2057 B12R1.308 CCOC(=O)c1cnccc1O MB01033 [0,2,0,0,0,0|1,0,0]=3 2058 B12R1.308 CCOC(=O)c1cncnc1O AB05293 [0,2,0,0,0,0|2,0,0]=4 2059 B12R1.308 c1ccc(c(c1)C(=O)CC#N)Br AB11732 [0,2,0,0,0,0|2,0,0]=4 2060 B12R1.308 c1ccc(c(c1)C(=O)CC#N)I AB18121 [0,2,0,0,0,0|2,0,0]=4 2061 B10R1.8 c1c(cc(cc1O)O)C=O AB01206 [0,0,1,1,0,0|2,0,0]=4 2062 B10R1.8 c1c(cc(nc1C=O)O)O AB78985 [0,0,1,1,0,0|2,0,0]=4 2063 B10R1.23 c1cc(oc1)C(C(=O)O)N AB01510 [0,0,1,1,0,0|1,0,1]=4 2064 B10R1.23 c1cc(oc1)[C@@H](C(=O)O)N AB14778 [0,0,1,1,0,0|1,0,1]=4 2065 B10R1.23 c1cc(oc1)[C@H](C(=O)O)N AB14775 [0,0,1,1,0,0|1,0,1]=4 2066 B10R2.7 c1cc2c(cco2)nc1 PB26741 [1,0,0,1,0,0|2,0,0]=4 2067 B12R2.24 c1cc2c(nc1)OCC(=O)C2 AB74015 [0,0,0,1,0,1|2,0,0]=4 2068 B12R2.24 c1ccc2c(c1)CC(=O)NC2 AB15535 [0,0,0,1,0,1|2,0,0]=4 2069 B12R2.24 c1ccc2c(c1)NC(=O)CO2 AB04166 [0,0,0,1,0,1|1,0,0]=3 2070 B12R2.24 c1ccc2c(c1)NCC(=O)N2 AB04744 [0,0,0,1,0,1|2,0,0]=4 2071 B12R2.24 c1ccc2c(c1)c[nH]c(=O)n2 MB05981 [0,0,0,1,0,1|2,0,0]=4 2072 B12R2.24 c1ccc2cnc(cc2c1)O PB24595 [0,0,0,1,0,1|2,0,0]=4 2073 B12R2.202 Cc1cc2c(o1)ccnc2O AB63957 [0,0,0,1,0,1|2,0,0]=4 2074 B12R2.202 Cc1cccc2=NC(=O)N=c12 AB44499 [0,0,0,1,0,1|2,0,0]=4 2075 B12R2.202 Cc1cccc2c1nc(o2)S AB64565 [0,0,0,1,0,1|1,1,0]=4 2076 B12R2.202 Cc1cccc2c1nc(s2)O AB16509 [0,0,0,1,0,1|1,1,0]=4 2077 B12R2.202 Cc1nc2c(cccc2o1)O MB20022 [0,0,0,1,0,1|1,0,0]=3 2078 B12R2.202 c1cc(c2c(c1)oc(n2)S)N AB66123 [0,0,0,1,0,1|1,1,0]=4 2079 B12R2.202 c1cc2c(c(c1)Br)CC(=O)C2 PB34393 [0,0,0,1,0,1|2,0,0]=4 2080 B12R2.202 c1cc2c(c(c1)Br)CC(=O)N2 PB23473 [0,0,0,1,0,1|2,0,0]=4 2081 B12R2.202 c1cc2c(c(c1)Br)NC(=O)C2 PB17281 [0,0,0,1,0,1|2,0,0]=4 2082 B12R2.202 c1cc2c(c(c1)Cl)CC(=O)N2 AB15885 [0,0,0,1,0,1|2,0,0]=4 2083 B12R2.202 c1cc2c(c(c1)Cl)NC(=O)C2 AB25436 [0,0,0,1,0,1|2,0,0]=4 2084 B12R2.202 c1cc2c(c(c1)Cl)nc(o2)S AB66129 [0,0,0,1,0,1|1,1,0]=4 2085 B12R2.202 c1cc2c(c(c1)F)CC(=O)N2 AB17595 [0,0,0,1,0,1|2,0,0]=4 2086 B12R2.202 c1cc2c(c(c1)F)NC(=O)C2 AB11394 [0,0,0,1,0,1|2,0,0]=4 2087 B12R2.202 c1cc2c(c(c1)F)nc(o2)Cl AB70786 [0,0,0,1,0,1|2,0,0]=4 2088 B12R2.202 c1cc2c(c(c1)O)CC(=O)N2 AB13551 [0,0,0,1,0,1|1,0,0]=3 2089 B12R2.1081 c1cc2c(nc1)C(=O)COC2 AB74027 [0,1,0,1,0,0|2,0,0]=4 2090 B12R2.1081 c1cc2c(nc1)OCCC2=O AB52763 [0,1,0,1,0,0|2,0,0]=4 2091 B12R2.1081 c1ccc2c(c1)C(=O)CCN2 AB06711 [0,1,0,1,0,0|2,0,0]=4 2092 B12R2.1081 c1ccc2c(c1)C(=O)CCO2 AB00814 [0,1,0,1,0,0|1,0,0]=3 2093 B12R2.1081 c1ccc2c(c1)C(=O)CN=N2 MB06564 [0,1,0,1,0,0|2,0,0]=4 2094 B12R2.1081 c1ccc2c(c1)CCNC2=O AB07451 [0,1,0,1,0,0|2,0,0]=4 2095 B12R2.1081 c1ccc2c(c1)CCOC2=O MB01461 [0,1,0,1,0,0|1,0,0]=3 2096 B12R2.1081 c1ccc2c(c1)CNCC2=O AB11544 [0,1,0,1,0,0|2,0,0]=4 2097 B12R2.1081 c1ccc2c(c1)COCC2=O PB14717 [0,1,0,1,0,0|1,0,0]=3 2098 B12R2.1081 c1ccc2c(c1)COCC2O AB70306 [0,1,0,1,0,0|1,0,1]=4 2099 B12R2.1081 c1ccc2c(c1)cncc2O AB05248 [0,1,0,1,0,0|2,0,0]=4 2100 B12R2.1081 c1ccc2c(c1)cnnc2O AB03574 [0,1,0,1,0,0|2,0,0]=4 2101 B12R2.1081 c1cncc2c1OCCC2=O AB68939 [0,1,0,1,0,0|2,0,0]=4 2102 B12R2.2028 B1(c2cccnc2C(=O)O1)O AB57835 [0,1,0,1,0,0|1,0,0]=3 2103 B12R2.2028 c1cc2c(nc1)C(=O)OC2=O PB28943 [0,1,0,1,0,0|1,0,1]=4 2104 B12R2.2028 c1cc2c(nc1)C(=O)OC2O AB59881 [0,1,0,1,0,0|1,0,0]=3 2105 B12R2.2028 c1ccc2c(c1)C(CC2=O)Br MB07683 [0,1,0,1,0,0|2,0,0]=4 2106 B12R2.2028 c1ccc2c(c1)C(CC2=O)N AB50544 [0,1,0,1,0,0|2,0,0]=4 2107 B12R2.2028 c1cncc2c1C(=O)OC2=O PB17052 [0,1,0,1,0,0|1,0,1]=4 2108 B12R2.2028 c1cncc2c1C(=O)OC2O AB59884 [0,1,0,1,0,0|1,0,0]=3 2109 B12R2.2028 c1cncc2c1C(OC2=O)O AB59886 [0,1,0,1,0,0|1,0,0]=3 2110 B12R2.203 c1cc2c(c(c1)Br)C(=O)N=N2 PB19342 [0,1,0,1,0,0|2,0,0]=4 2111 B12R2.203 c1cc2c(c(c1)Br)C(=O)NC2 AB64823 [0,1,0,1,0,0|2,0,0]=4 2112 B12R2.203 c1cc2c(c(c1)Cl)C(=O)NC2 MB07456 [0,1,0,1,0,0|2,0,0]=4 2113 B12R2.203 c1cc2c(c(c1)F)C(=O)CC2 MB04473 [0,1,0,1,0,0|2,0,0]=4 2114 B12R2.203 c1cc2c(c(c1)N)C(=O)NC2 PB34384 [0,1,0,1,0,0|2,0,0]=4 2115 B12R2.196 c1cc2c(c(c1)Br)CCC2=O PB19935 [0,1,0,1,0,0|2,0,0]=4 2116 B12R2.196 c1cc2c(c(c1)Br)CNC2=O PB29648 [0,1,0,1,0,0|2,0,0]=4 2117 B12R2.196 c1cc2c(c(c1)Cl)CCC2=O PB25074 [0,1,0,1,0,0|2,0,0]=4 2118 B12R2.196 c1cc2c(c(c1)Cl)CNC2=O AB51011 [0,1,0,1,0,0|2,0,0]=4 2119 B12R2.196 c1cc2c(c(c1)F)CCC2=O AB07191 [0,1,0,1,0,0|2,0,0]=4 2120 B12R2.196 c1cc2c(c(c1)F)CNC2=O AB66630 [0,1,0,1,0,0|2,0,0]=4 2121 B12R2.196 c1cc2c(c(c1)F)OCC2=O MB06387 [0,1,0,1,0,0|1,0,0]=3 2122 B12R2.196 c1cc2c(c(c1)I)CCC2=O MB07542 [0,1,0,1,0,0|2,0,0]=4 2123 B12R2.196 c1cc2c(c(c1)N)CNC2=O PB14554 [0,1,0,1,0,0|2,0,0]=4 2124 B12R2.196 c1cc2c(c(c1)O)CNC2=O AB56005 [0,1,0,1,0,0|2,0,0]=4 2125 B12R2.612 Cc1ccc2c(c1)CNC2=O MB07070 [0,1,0,1,0,0|2,0,0]=4 2126 B12R2.612 Cc1ccc2c(c1)onc2Cl AB25984 [0,1,0,1,0,0|2,0,0]=4 2127 B12R2.612 Cc1ccc2c(n1)OCC2=O AB70120 [0,1,0,1,0,0|2,0,0]=4 2128 B12R2.612 c1c2c(cnc1Cl)C(=O)OC2 PB27327 [0,1,0,1,0,0|2,0,0]=4 2129 B12R2.612 c1cc(nc2c1C(=O)CO2)Cl AB70109 [0,1,0,1,0,0|2,0,0]=4 2130 B12R2.612 c1cc2c(cc1Br)CNC2=O PB29649 [0,1,0,1,0,0|2,0,0]=4 2131 B12R2.612 c1cc2c(cc1Br)OCC2=O AB45183 [0,1,0,1,0,0|1,0,0]=3 2132 B12R2.612 c1cc2c(cc1Br)onc2Cl MB11909 [0,1,0,1,0,0|2,0,0]=4 2133 B12R2.612 c1cc2c(cc1Br)onc2N MB07663 [0,1,0,1,0,0|2,0,0]=4 2134 B12R2.612 c1cc2c(cc1Cl)CCC2=O AB01874 [0,1,0,1,0,0|2,0,0]=4 2135 B12R2.612 c1cc2c(cc1Cl)CNC2=O MB05670 [0,1,0,1,0,0|2,0,0]=4 2136 B12R2.612 c1cc2c(cc1Cl)N=NC2=O AB60847 [0,1,0,1,0,0|2,0,0]=4 2137 B12R2.612 c1cc2c(cc1Cl)OCC2=O AB27747 [0,1,0,1,0,0|1,0,0]=3 2138 B12R2.612 c1cc2c(cc1Cl)onc2Cl AB25981 [0,1,0,1,0,0|2,0,0]=4 2139 B12R2.612 c1cc2c(cc1F)CCC2=O AB01853 [0,1,0,1,0,0|2,0,0]=4 2140 B12R2.612 c1cc2c(cc1F)CNC2=O AB71859 [0,1,0,1,0,0|2,0,0]=4 2141 B12R2.612 c1cc2c(cc1F)OCC2=O AB51227 [0,1,0,1,0,0|1,0,0]=3 2142 B12R2.612 c1cc2c(cc1F)onc2Cl AB71606 [0,1,0,1,0,0|2,0,0]=4 2143 B12R2.612 c1cc2c(cc1I)CCC2=O MB07544 [0,1,0,1,0,0|2,0,0]=4 2144 B12R2.612 c1cc2c(cc1N)CNC2=O PB14793 [0,1,0,1,0,0|2,0,0]=4 2145 B12R2.612 c1cc2c(cc1O)CNC2=O AB56006 [0,1,0,1,0,0|2,0,0]=4 2146 B12R2.132 Cc1c2cc(ccc2on1)Br MB06428 [0,1,0,1,0,0|2,0,0]=4 2147 B12R2.132 Cc1ccc2c(c1)C(=O)NC2 AB49680 [0,1,0,1,0,0|2,0,0]=4 2148 B12R2.132 Cc1coc2c1cc(cc2)Br MB07839 [0,1,0,1,0,0|2,0,0]=4 2149 B12R2.132 c1cc2c(cc1Br)C(=O)CC2 PB34016 [0,1,0,1,0,0|2,0,0]=4 2150 B12R2.132 c1cc2c(cc1Br)C(=O)CN2 AB27760 [0,1,0,1,0,0|2,0,0]=4 2151 B12R2.132 c1cc2c(cc1Br)C(=O)N=N2 AB60842 [0,1,0,1,0,0|2,0,0]=4 2152 B12R2.132 c1cc2c(cc1Br)C(=O)NC2 PB29879 [0,1,0,1,0,0|2,0,0]=4 2153 B12R2.132 c1cc2c(cc1Br)C(=O)OC2 PB15748 [0,1,0,1,0,0|1,0,0]=3 2154 B12R2.132 c1cc2c(cc1Br)c(no2)Cl AB65566 [0,1,0,1,0,0|2,0,0]=4 2155 B12R2.132 c1cc2c(cc1Br)c(no2)N MB07795 [0,1,0,1,0,0|2,0,0]=4 2156 B12R2.132 c1cc2c(cc1Cl)C(=O)CC2 PB14192 [0,1,0,1,0,0|2,0,0]=4 2157 B12R2.132 c1cc2c(cc1Cl)C(=O)CO2 AB03274 [0,1,0,1,0,0|1,0,0]=3 2158 B12R2.132 c1cc2c(cc1Cl)C(=O)N=N2 AB23768 [0,1,0,1,0,0|2,0,0]=4 2159 B12R2.132 c1cc2c(cc1Cl)C(=O)NC2 MB05675 [0,1,0,1,0,0|2,0,0]=4 2160 B12R2.132 c1cc2c(cc1Cl)c(co2)Br AB65773 [0,1,0,1,0,0|2,0,0]=4 2161 B12R2.132 c1cc2c(cc1Cl)c(no2)Cl AB66315 [0,1,0,1,0,0|2,0,0]=4 2162 B12R2.132 c1cc2c(cc1F)C(=O)CC2 AB08649 [0,1,0,1,0,0|2,0,0]=4 2163 B12R2.132 c1cc2c(cc1F)C(=O)NC2 AB51004 [0,1,0,1,0,0|2,0,0]=4 2164 B12R2.132 c1cc2c(cc1F)c(no2)Cl AB64624 [0,1,0,1,0,0|2,0,0]=4 2165 B12R2.132 c1cc2c(cc1I)C(=O)OC2 PB34159 [0,1,0,1,0,0|1,0,0]=3 2166 B12R2.132 c1cc2c(cc1N)C(=O)NC2 PB34386 [0,1,0,1,0,0|2,0,0]=4 2167 B12R2.132 c1cc2c(cc1N)C(=O)OC2 PB15617 [0,1,0,1,0,0|1,0,0]=3 2168 B12R2.132 c1cc2c(cc1O)C(=O)NC2 MB06080 [0,1,0,1,0,0|2,0,0]=4 2169 B12R2.1 c1ccc2c(c1)c(co2)C=O MB02776 [0,1,0,1,0,0|1,0,0]=3 2170 B12R2.18 CN1Cc2ccccc2C1=O MB00364 [0,1,0,1,0,0|2,0,0]=4 2171 B12R2.18 Cn1c(=O)c2ccccc2[nH]1 MB14910 [0,1,0,1,0,0|2,0,0]=4 2172 B8R1.7 C1C=C(C=N1)C(=O)O MB01464 [1,0,0,0,1,0|1,0,1]=4 2173 B8R1.7 CC(=O)c1ccsc1 PB17033 [1,0,0,0,1,0|2,0,0]=4 2174 B8R1.7 c1c(con1)C(=O)O AB27926 [1,0,0,0,1,0|2,0,0]=4 2175 B8R1.7 c1c(csn1)C(=O)O AB48586 [1,0,0,0,1,0|2,0,0]=4 2176 B8R1.7 c1c(nco1)C(=O)O PB14470 [1,0,0,0,1,0|2,0,0]=4 2177 B8R1.7 c1c(ncs1)C(=O)O AB06561 [1,0,0,0,1,0|2,0,0]=4 2178 B8R1.7 c1c(ocn1)C(=O)O AB19293 [1,0,0,0,1,0|2,0,0]=4 2179 B8R1.7 c1c(scn1)C(=O)O AB15430 [1,0,0,0,1,0|2,0,0]=4 2180 B8R1.7 c1cnsc1C(=O)O AB32452 [1,0,0,0,1,0|2,0,0]=4 2181 B8R1.7 c1coc(n1)C(=O)O AB19305 [1,0,0,0,1,0|2,0,0]=4 2182 B8R1.7 c1cocc1C(=O)O PB30525 [1,0,0,0,1,0|1,0,0]=3 2183 B8R1.7 c1conc1C(=O)O PB26232 [1,0,0,0,1,0|2,0,0]=4 2184 B8R1.7 c1csc(n1)C(=O)O AB10888 [1,0,0,0,1,0|2,0,0]=4 2185 B8R1.7 c1cscc1C(=O)O PB18386 [1,0,0,0,1,0|1,0,0]=3 2186 B8R1.7 c1csnc1C(=O)O PB34433 [1,0,0,0,1,0|2,0,0]=4 2187 B8R1.11 Cc1c(ccs1)C=O AB53893 [1,0,0,0,1,0|2,0,0]=4 2188 B8R1.11 c1c(c(cs1)Br)C=O AB08778 [1,0,0,0,1,0|2,0,0]=4 2189 B8R1.11 c1coc(c1Br)C=O AB31934 [1,0,0,0,1,0|2,0,0]=4 2190 B8R1.11 c1csc(c1Br)C=O PB25976 [1,0,0,0,1,0|2,0,0]=4 2191 B8R1.11 c1csc(c1Cl)C=O PB32269 [1,0,0,0,1,0|2,0,0]=4 2192 B12R1.125 c1ccc(c(c1)CCC(=O)O)Br AB08440 [0,0,0,0,0,2|1,0,0]=3 2193 B12R1.125 c1ccc(c(c1)CCC(=O)O)Cl AB01190 [0,0,0,0,0,2|1,0,0]=3 2194 B12R1.125 c1ccc(c(c1)CCC(=O)O)F AB08452 [0,0,0,0,0,2|1,0,0]=3 2195 B12R1.125 c1ccc(c(c1)CCC(=O)O)I MB00406 [0,0,0,0,0,2|1,0,0]=3 2196 B12R1.125 c1ccc(c(c1)CCC(=O)O)O MB00231 [0,0,0,0,0,2|0,0,0]=2