0 B9R1.6 B(c1cnccn1)(O)O AB48451 [0,0,0,0,0,0|3,0,1]=4 1 B9R1.6 C=C(c1ccccn1)Br AB31950 [0,0,0,0,0,0|1,0,1]=2 2 B9R1.6 CC(=O)c1ccccn1 AB00686 [0,0,0,0,0,0|0,0,0]=0 3 B9R1.6 CC(=O)c1cccnc1 AB00750 [0,0,0,0,0,0|2,0,0]=2 4 B9R1.6 CC(=O)c1cccnn1 PB16551 [0,0,0,0,0,0|1,0,0]=1 5 B9R1.6 CC(=O)c1ccncc1 AB00760 [0,0,0,0,0,0|2,0,0]=2 6 B9R1.6 CC(=O)c1ccncn1 PB17606 [0,0,0,0,0,0|1,0,0]=1 7 B9R1.6 CC(=O)c1ccnnc1 PB26895 [0,0,0,0,0,0|3,0,0]=3 8 B9R1.6 CC(=O)c1cnccn1 AB00602 [0,0,0,0,0,0|1,0,0]=1 9 B9R1.6 CC(=O)c1cncnc1 PB20327 [0,0,0,0,0,0|3,0,0]=3 10 B9R1.6 CC(=O)c1ncccn1 PB34295 [0,0,0,0,0,0|1,0,0]=1 11 B9R1.6 CC(C)c1ccccn1 PB21659 [0,0,0,0,0,0|1,0,1]=2 12 B9R1.6 CC(c1ccccc1)Cl AB01249 [0,0,0,0,0,0|2,0,1]=3 13 B9R1.6 CC(c1ccccn1)N AB21604 [0,0,0,0,0,0|1,0,1]=2 14 B9R1.6 CC(c1cccnc1)N AB09764 [0,0,0,0,0,0|3,0,1]=4 15 B9R1.6 CC(c1ccncc1)N AB11609 [0,0,0,0,0,0|3,0,1]=4 16 B9R1.6 CC(c1ccncn1)N PB34498 [0,0,0,0,0,0|2,0,1]=3 17 B9R1.6 CC(c1cnccn1)N PB14922 [0,0,0,0,0,0|2,0,1]=3 18 B9R1.6 CC(c1ncccn1)N AB59468 [0,0,0,0,0,0|2,0,1]=3 19 B9R1.6 CN(C)c1ncccn1 AB64628 [0,0,0,0,0,0|3,0,0]=3 20 B9R1.6 C[C@@H](c1cccnc1)N AB49737 [0,0,0,0,0,0|3,0,1]=4 21 B9R1.6 C[C@@H](c1ccncc1)N AB49749 [0,0,0,0,0,0|3,0,1]=4 22 B9R1.6 C[C@H](c1cccnc1)N AB49734 [0,0,0,0,0,0|3,0,1]=4 23 B9R1.6 C[C@H](c1ccncc1)N AB49745 [0,0,0,0,0,0|3,0,1]=4 24 B9R1.6 c1c(cncn1)C(=O)O PB23195 [0,0,0,0,0,0|4,0,0]=4 25 B9R1.6 c1c(ncnn1)C(=O)O AB72448 [0,0,0,0,0,0|3,0,0]=3 26 B9R1.6 c1cc(nnc1)C(=O)O PB21767 [0,0,0,0,0,0|2,0,0]=2 27 B9R1.6 c1ccc(cc1)C(=N)N AB01943 [0,0,0,0,0,0|3,0,0]=3 28 B9R1.6 c1ccnc(c1)C(=N)N MB00460 [0,0,0,0,0,0|2,0,0]=2 29 B9R1.6 c1ccnc(c1)C(=O)O AB00685 [0,0,0,0,0,0|1,0,0]=1 30 B9R1.6 c1ccnc(c1)C(=S)N AB03215 [0,0,0,0,0,0|1,1,0]=2 31 B9R1.6 c1ccnc(c1)C(F)F AB64042 [0,0,0,0,0,0|2,0,1]=3 32 B9R1.6 c1cnc(cn1)C(=N)N AB02172 [0,0,0,0,0,0|3,0,0]=3 33 B9R1.6 c1cnc(cn1)C(=O)O PB27363 [0,0,0,0,0,0|2,0,0]=2 34 B9R1.6 c1cnc(nc1)C(=O)O PB18516 [0,0,0,0,0,0|2,0,0]=2 35 B9R1.6 c1cnccc1C(=N)N MB02852 [0,0,0,0,0,0|4,0,0]=4 36 B9R1.6 c1cnccc1C(=O)O AB00757 [0,0,0,0,0,0|3,0,0]=3 37 B9R1.6 c1cnccc1C(=S)N AB00764 [0,0,0,0,0,0|3,1,0]=4 38 B9R1.6 c1cncnc1C(=O)O PB29023 [0,0,0,0,0,0|2,0,0]=2 39 B9R1.6 c1cnnc(n1)C(=O)O AB48886 [0,0,0,0,0,0|3,0,0]=3 40 B9R1.6 c1cnncc1C(=O)O PB17054 [0,0,0,0,0,0|4,0,0]=4 41 B9R1.6 c1ncnc(n1)C(=O)O AB60791 [0,0,0,0,0,0|3,0,0]=3 42 B8R1.2 C#Cc1ccccn1 PB17077 [1,0,0,0,0,0|0,0,2]=3 43 B8R1.2 C#Cc1cccnn1 PB34819 [1,0,0,0,0,0|1,0,2]=4 44 B8R1.2 C#Cc1ccncn1 AB69106 [1,0,0,0,0,0|1,0,2]=4 45 B8R1.2 C#Cc1cnccn1 PB18058 [1,0,0,0,0,0|1,0,2]=4 46 B8R1.2 C#Cc1ncccn1 AB61370 [1,0,0,0,0,0|1,0,2]=4 47 B8R1.2 CNc1cccnc1 AB09114 [1,0,0,0,0,0|3,0,0]=4 48 B8R1.2 CNc1ccncn1 AB60623 [1,0,0,0,0,0|2,0,0]=3 49 B8R1.2 CNc1ncccn1 AB05135 [1,0,0,0,0,0|2,0,0]=3 50 B8R1.2 COc1cccnc1 AB06864 [1,0,0,0,0,0|3,0,0]=4 51 B8R1.2 COc1cccnn1 AB05130 [1,0,0,0,0,0|2,0,0]=3 52 B8R1.2 c1c(cncn1)C=O PB32342 [1,0,0,0,0,0|3,0,0]=4 53 B8R1.2 c1cc(cnc1)C=O AB00744 [1,0,0,0,0,0|2,0,0]=3 54 B8R1.2 c1cc(nnc1)C#N PB19049 [1,0,0,0,0,0|2,0,1]=4 55 B8R1.2 c1cc(nnc1)C=O PB20119 [1,0,0,0,0,0|1,0,0]=2 56 B8R1.2 c1cc(nnc1)CCl PB28814 [1,0,0,0,0,0|2,0,1]=4 57 B8R1.2 c1cc(nnc1)CN PB29341 [1,0,0,0,0,0|2,0,1]=4 58 B8R1.2 c1cc(nnc1)CO PB30818 [1,0,0,0,0,0|1,0,2]=4 59 B8R1.2 c1ccnc(c1)C=O AB00680 [1,0,0,0,0,0|0,0,0]=1 60 B8R1.2 c1ccnc(c1)CBr MB02148 [1,0,0,0,0,0|1,0,1]=3 61 B8R1.2 c1ccnc(c1)CCl AB22495 [1,0,0,0,0,0|1,0,1]=3 62 B8R1.2 c1ccnc(c1)CN AB00731 [1,0,0,0,0,0|1,0,1]=3 63 B8R1.2 c1cnc(cn1)C#N AB02102 [1,0,0,0,0,0|2,0,1]=4 64 B8R1.2 c1cnc(cn1)C=O PB19982 [1,0,0,0,0,0|1,0,0]=2 65 B8R1.2 c1cnc(cn1)CCl PB20483 [1,0,0,0,0,0|2,0,1]=4 66 B8R1.2 c1cnc(cn1)CN PB14180 [1,0,0,0,0,0|2,0,1]=4 67 B8R1.2 c1cnc(cn1)CO PB21779 [1,0,0,0,0,0|1,0,2]=4 68 B8R1.2 c1cnc(cn1)NN PB12798 [1,0,0,0,0,0|3,0,0]=4 69 B8R1.2 c1cnc(nc1)C#N PB27459 [1,0,0,0,0,0|2,0,1]=4 70 B8R1.2 c1cnc(nc1)C=O PB34235 [1,0,0,0,0,0|1,0,0]=2 71 B8R1.2 c1cnc(nc1)CCl PB20403 [1,0,0,0,0,0|2,0,1]=4 72 B8R1.2 c1cnc(nc1)CN CB11589 [1,0,0,0,0,0|2,0,1]=4 73 B8R1.2 c1cnc(nc1)CN PB23443 [1,0,0,0,0,0|2,0,1]=4 74 B8R1.2 c1cnc(nc1)CO PB12410 [1,0,0,0,0,0|1,0,2]=4 75 B8R1.2 c1cnc(nc1)NN PB10192 [1,0,0,0,0,0|3,0,0]=4 76 B8R1.2 c1cnccc1C=O AB00754 [1,0,0,0,0,0|2,0,0]=3 77 B8R1.2 c1cncnc1C=O AB16150 [1,0,0,0,0,0|1,0,0]=2 78 B8R1.2 c1cncnc1CCl AB58895 [1,0,0,0,0,0|2,0,1]=4 79 B8R1.2 c1cncnc1CN PB10439 [1,0,0,0,0,0|2,0,1]=4 80 B8R1.2 c1cncnc1CO PB12296 [1,0,0,0,0,0|1,0,2]=4 81 B8R1.2 c1cnncc1C=O PB17346 [1,0,0,0,0,0|3,0,0]=4 82 B8R1.2 c1ncnc(n1)C=O AB60788 [1,0,0,0,0,0|2,0,0]=3 83 B10R1.13 B(c1ccc(cn1)Br)(O)O AB48603 [0,1,0,0,0,0|2,0,1]=4 84 B10R1.13 B(c1ccc(cn1)C)(O)O AB06946 [0,1,0,0,0,0|2,0,1]=4 85 B10R1.13 B(c1ccc(cn1)Cl)(O)O AB32111 [0,1,0,0,0,0|2,0,1]=4 86 B10R1.13 B(c1ccc(cn1)F)(O)O AB48605 [0,1,0,0,0,0|2,0,1]=4 87 B10R1.13 B(c1ccc(cn1)N)(O)O AB43322 [0,1,0,0,0,0|2,0,1]=4 88 B10R1.13 CC(=C)c1ccc(cc1)O CB10241 [0,1,0,0,0,0|2,0,0]=3 89 B10R1.13 CC(=O)c1ccc(cn1)Br AB21518 [0,1,0,0,0,0|0,0,0]=1 90 B10R1.13 CC(=O)c1ccc(cn1)Cl AB41101 [0,1,0,0,0,0|0,0,0]=1 91 B10R1.13 CC(=O)c1ccc(cn1)F AB62503 [0,1,0,0,0,0|0,0,0]=1 92 B10R1.13 CC(=O)c1ccc(cn1)N AB60315 [0,1,0,0,0,0|0,0,0]=1 93 B10R1.13 CC(=O)c1ccc(cn1)O AB60308 [0,1,0,0,0,0|0,0,0]=1 94 B10R1.13 CC(=O)c1ccc(nc1)Br AB21520 [0,1,0,0,0,0|2,0,0]=3 95 B10R1.13 CC(=O)c1ccc(nc1)Cl AB14033 [0,1,0,0,0,0|2,0,0]=3 96 B10R1.13 CC(=O)c1ccc(nc1)F AB41115 [0,1,0,0,0,0|2,0,0]=3 97 B10R1.13 CC(=O)c1ccc(nc1)N AB49552 [0,1,0,0,0,0|2,0,0]=3 98 B10R1.13 CC(=O)c1ccc(nc1)O AB60297 [0,1,0,0,0,0|2,0,0]=3 99 B10R1.13 CC(=O)c1ccc(nn1)Cl PB20488 [0,1,0,0,0,0|1,0,0]=2 100 B10R1.13 CC(=O)c1cnc(cn1)Cl AB65450 [0,1,0,0,0,0|1,0,0]=2 101 B10R1.13 CC(=O)c1cnc(nc1)Cl AB59098 [0,1,0,0,0,0|3,0,0]=4 102 B10R1.13 CC(=O)c1ncc(cn1)Br PB34979 [0,1,0,0,0,0|1,0,0]=2 103 B10R1.13 CC(=O)c1ncc(cn1)F PB24344 [0,1,0,0,0,0|1,0,0]=2 104 B10R1.13 CC(C)c1ccc(cn1)Br MB11629 [0,1,0,0,0,0|1,0,1]=3 105 B10R1.13 CC(C)c1ccc(cn1)N PB22166 [0,1,0,0,0,0|1,0,1]=3 106 B10R1.13 CC(C)c1ccc(cn1)O MB08432 [0,1,0,0,0,0|1,0,1]=3 107 B10R1.13 CC(C)c1ccc(nn1)Cl MB11649 [0,1,0,0,0,0|2,0,1]=4 108 B10R1.13 CC(C)c1cnc(cn1)Br AB64004 [0,1,0,0,0,0|2,0,1]=4 109 B10R1.13 CC(C)c1cnc(cn1)Cl AB70173 [0,1,0,0,0,0|2,0,1]=4 110 B10R1.13 CC(C)c1ncc(cn1)Br PB22629 [0,1,0,0,0,0|2,0,1]=4 111 B10R1.13 CC(C)c1ncc(cn1)Cl AB59147 [0,1,0,0,0,0|2,0,1]=4 112 B10R1.13 CC(C)c1ncc(cn1)N AB58991 [0,1,0,0,0,0|2,0,1]=4 113 B10R1.13 CC(C)c1ncc(cn1)O AB58598 [0,1,0,0,0,0|2,0,1]=4 114 B10R1.13 CC(c1ccc(cn1)F)N PB27166 [0,1,0,0,0,0|1,0,1]=3 115 B10R1.13 CC(c1ncc(cn1)Cl)N AB59171 [0,1,0,0,0,0|2,0,1]=4 116 B10R1.13 CC(c1ncc(cn1)F)N PB11305 [0,1,0,0,0,0|2,0,1]=4 117 B10R1.13 CN(C)c1ccc(cc1)O CB10546 [0,1,0,0,0,0|3,0,0]=4 118 B10R1.13 CN(C)c1ccc(cc1)O MB02001 [0,1,0,0,0,0|3,0,0]=4 119 B10R1.13 CN(C)c1ccc(cn1)Br AB03372 [0,1,0,0,0,0|2,0,0]=3 120 B10R1.13 CN(C)c1ccc(cn1)Cl AB67483 [0,1,0,0,0,0|2,0,0]=3 121 B10R1.13 CN(C)c1ccc(cn1)N PB31328 [0,1,0,0,0,0|2,0,0]=3 122 B10R1.13 CN(C)c1ccc(cn1)O MB24899 [0,1,0,0,0,0|2,0,0]=3 123 B10R1.13 CN(C)c1ccc(nn1)Cl MB02512 [0,1,0,0,0,0|3,0,0]=4 124 B10R1.13 CN(C)c1cnc(cn1)Br AB54253 [0,1,0,0,0,0|3,0,0]=4 125 B10R1.13 CN(C)c1ncc(cn1)O AB58594 [0,1,0,0,0,0|3,0,0]=4 126 B10R1.13 C[C@@H](c1ncc(cn1)F)N AB73466 [0,1,0,0,0,0|2,0,1]=4 127 B10R1.13 C[C@H](c1ncc(cn1)F)N AB73465 [0,1,0,0,0,0|2,0,1]=4 128 B10R1.13 Cc1ccc(cc1)C(=N)N AB01792 [0,1,0,0,0,0|3,0,0]=4 129 B10R1.13 Cc1ccc(cc1)C(=S)N AB04365 [0,1,0,0,0,0|2,1,0]=4 130 B10R1.13 Cc1ccc(cn1)C(=O)C AB03568 [0,1,0,0,0,0|2,0,0]=3 131 B10R1.13 Cc1ccc(cn1)C(=O)Cl AB44670 [0,1,0,0,0,0|3,0,0]=4 132 B10R1.13 Cc1ccc(cn1)C(=O)O AB00723 [0,1,0,0,0,0|3,0,0]=4 133 B10R1.13 Cc1ccc(nc1)C(=O)C AB25779 [0,1,0,0,0,0|0,0,0]=1 134 B10R1.13 Cc1ccc(nc1)C(=O)O AB09798 [0,1,0,0,0,0|1,0,0]=2 135 B10R1.13 Cc1ccc(nn1)C(=O)C AB75459 [0,1,0,0,0,0|1,0,0]=2 136 B10R1.13 Cc1ccc(nn1)C(=O)O AB52759 [0,1,0,0,0,0|2,0,0]=3 137 B10R1.13 Cc1cnc(cn1)C(=O)C AB02269 [0,1,0,0,0,0|1,0,0]=2 138 B10R1.13 Cc1cnc(cn1)C(=O)N CB10282 [0,1,0,0,0,0|2,0,0]=3 139 B10R1.13 Cc1cnc(cn1)C(=O)O PB12995 [0,1,0,0,0,0|2,0,0]=3 140 B10R1.13 Cc1cnc(nc1)C(=N)N PB37310 [0,1,0,0,0,0|3,0,0]=4 141 B10R1.13 Cc1cnc(nc1)C(=O)O PB29748 [0,1,0,0,0,0|2,0,0]=3 142 B10R1.13 Cc1cnc(nc1)C(C)N AB59472 [0,1,0,0,0,0|2,0,1]=4 143 B10R1.13 c1c(cnc(n1)C(=O)N)Br MB01294 [0,1,0,0,0,0|2,0,0]=3 144 B10R1.13 c1c(cnc(n1)C(=O)O)Br PB33902 [0,1,0,0,0,0|2,0,0]=3 145 B10R1.13 c1c(cnc(n1)C(=O)O)Cl PB13081 [0,1,0,0,0,0|2,0,0]=3 146 B10R1.13 c1c(cnc(n1)C(=O)O)F PB31127 [0,1,0,0,0,0|2,0,0]=3 147 B10R1.13 c1c(cnc(n1)C(=O)O)N PB34128 [0,1,0,0,0,0|2,0,0]=3 148 B10R1.13 c1c(cnc(n1)C(=S)N)Cl AB59158 [0,1,0,0,0,0|2,1,0]=4 149 B10R1.13 c1c(ncc(n1)Br)C(=O)N MB14265 [0,1,0,0,0,0|2,0,0]=3 150 B10R1.13 c1c(ncc(n1)Br)C(=O)O AB54768 [0,1,0,0,0,0|2,0,0]=3 151 B10R1.13 c1c(ncc(n1)Cl)C(=O)O PB34349 [0,1,0,0,0,0|2,0,0]=3 152 B10R1.13 c1c(ncc(n1)N)C(=O)O PB32499 [0,1,0,0,0,0|2,0,0]=3 153 B10R1.13 c1c(ncc(n1)O)C(=O)O PB32161 [0,1,0,0,0,0|2,0,0]=3 154 B10R1.13 c1cc(ccc1C(=N)N)Br AB06234 [0,1,0,0,0,0|3,0,0]=4 155 B10R1.13 c1cc(ccc1C(=N)N)Cl AB03527 [0,1,0,0,0,0|3,0,0]=4 156 B10R1.13 c1cc(ccc1C(=N)N)F AB18284 [0,1,0,0,0,0|3,0,0]=4 157 B10R1.13 c1cc(ccc1C(=N)N)I AB18403 [0,1,0,0,0,0|3,0,0]=4 158 B10R1.13 c1cc(ccc1C(=N)N)N AB01119 [0,1,0,0,0,0|3,0,0]=4 159 B10R1.13 c1cc(ccc1C(=N)N)O AB03766 [0,1,0,0,0,0|3,0,0]=4 160 B10R1.13 c1cc(ccc1C(=S)N)Br AB18142 [0,1,0,0,0,0|2,1,0]=4 161 B10R1.13 c1cc(ccc1C(=S)N)Cl AB01841 [0,1,0,0,0,0|2,1,0]=4 162 B10R1.13 c1cc(ccc1C(=S)N)F AB08498 [0,1,0,0,0,0|2,1,0]=4 163 B10R1.13 c1cc(ccc1C(=S)N)N AB01833 [0,1,0,0,0,0|2,1,0]=4 164 B10R1.13 c1cc(ccc1C(=S)N)O AB21285 [0,1,0,0,0,0|2,1,0]=4 165 B10R1.13 c1cc(ncc1Br)C(=O)O PB32197 [0,1,0,0,0,0|1,0,0]=2 166 B10R1.13 c1cc(ncc1Br)C(=O)[O-] AB42654 [0,1,0,0,0,0|1,0,0]=2 167 B10R1.13 c1cc(ncc1Br)C(F)F AB65154 [0,1,0,0,0,0|2,0,1]=4 168 B10R1.13 c1cc(ncc1Br)[N+](=O)[O-] AB04221 [0,1,0,0,0,0|2,0,0]=3 169 B10R1.13 c1cc(ncc1C(=O)Cl)F AB42627 [0,1,0,0,0,0|3,0,0]=4 170 B10R1.13 c1cc(ncc1C(=O)N)Br MB01098 [0,1,0,0,0,0|3,0,0]=4 171 B10R1.13 c1cc(ncc1C(=O)O)Br PB18554 [0,1,0,0,0,0|3,0,0]=4 172 B10R1.13 c1cc(ncc1C(=O)O)Cl AB00659 [0,1,0,0,0,0|3,0,0]=4 173 B10R1.13 c1cc(ncc1C(=O)O)F AB09999 [0,1,0,0,0,0|3,0,0]=4 174 B10R1.13 c1cc(ncc1C(=O)O)N AB17940 [0,1,0,0,0,0|3,0,0]=4 175 B10R1.13 c1cc(ncc1C(=O)O)N PB21621 [0,1,0,0,0,0|3,0,0]=4 176 B10R1.13 c1cc(ncc1C(=O)O)O PB17040 [0,1,0,0,0,0|3,0,0]=4 177 B10R1.13 c1cc(ncc1Cl)C(=N)N PB16514 [0,1,0,0,0,0|2,0,0]=3 178 B10R1.13 c1cc(ncc1Cl)C(=O)O AB17962 [0,1,0,0,0,0|1,0,0]=2 179 B10R1.13 c1cc(ncc1F)C(=N)N PB33102 [0,1,0,0,0,0|2,0,0]=3 180 B10R1.13 c1cc(ncc1F)C(=O)O AB17969 [0,1,0,0,0,0|1,0,0]=2 181 B10R1.13 c1cc(ncc1N)C(=O)O AB12645 [0,1,0,0,0,0|1,0,0]=2 182 B10R1.13 c1cc(ncc1N)C(F)F AB75496 [0,1,0,0,0,0|2,0,1]=4 183 B10R1.13 c1cc(ncc1O)C(=O)N MB11444 [0,1,0,0,0,0|1,0,0]=2 184 B10R1.13 c1cc(ncc1O)C(=O)O PB26027 [0,1,0,0,0,0|1,0,0]=2 185 B10R1.13 c1cc(ncc1O)C(F)F AB74785 [0,1,0,0,0,0|2,0,1]=4 186 B10R1.13 c1cc(nnc1C(=O)O)Cl PB27458 [0,1,0,0,0,0|2,0,0]=3 187 B10R1.13 c1cc(nnc1C(=O)O)N PB30836 [0,1,0,0,0,0|2,0,0]=3 188 B10R1.13 c1cc(nnc1C(=O)O)O PB20339 [0,1,0,0,0,0|2,0,0]=3 189 B10R1.15 CCC(=O)c1ccccn1 AB01373 [0,1,0,0,0,0|0,0,0]=1 190 B10R1.15 CCC(=O)c1cnccn1 PB23991 [0,1,0,0,0,0|1,0,0]=2 191 B10R1.15 CCC(c1cnccn1)N PB31632 [0,1,0,0,0,0|2,0,1]=4 192 B10R1.15 CNC(=O)c1cnccn1 AB70331 [0,1,0,0,0,0|1,0,0]=2 193 B10R1.15 COC(=N)c1cnccn1 AB61004 [0,1,0,0,0,0|2,0,0]=3 194 B10R1.15 COC(=O)c1cccnn1 PB28168 [0,1,0,0,0,0|1,0,0]=2 195 B10R1.15 COC(=O)c1ccncn1 PB15680 [0,1,0,0,0,0|1,0,0]=2 196 B10R1.15 COC(=O)c1ccnnc1 PB31452 [0,1,0,0,0,0|3,0,0]=4 197 B10R1.15 COC(=O)c1cncnc1 PB15822 [0,1,0,0,0,0|3,0,0]=4 198 B10R1.15 COC(=O)c1ncccn1 PB20045 [0,1,0,0,0,0|1,0,0]=2 199 B10R1.15 C[C@@H](CN)c1ccccc1 AB04898 [0,1,0,0,0,0|2,0,1]=4 200 B10R1.15 C[C@H](CN)c1ccccc1 AB04902 [0,1,0,0,0,0|2,0,1]=4 201 B10R1.15 c1cc(cnc1)C(=O)C=O AB62325 [0,1,0,0,0,0|2,0,1]=4 202 B10R1.15 c1cc(cnc1)C(=O)CBr AB02174 [0,1,0,0,0,0|2,0,0]=3 203 B10R1.15 c1cc(cnc1)C(=O)CBr AB44461 [0,1,0,0,0,0|2,0,0]=3 204 B10R1.15 c1cc(cnc1)C(=O)CCl MB06839 [0,1,0,0,0,0|2,0,0]=3 205 B10R1.15 c1ccc(cc1)C(=O)C=O AB00817 [0,1,0,0,0,0|1,0,1]=3 206 B10R1.15 c1ccc(cc1)C(=O)C=O AB03966 [0,1,0,0,0,0|1,0,1]=3 207 B10R1.15 c1ccc(cc1)C(=O)NN AB00887 [0,1,0,0,0,0|2,0,0]=3 208 B10R1.15 c1ccnc(c1)C(=O)C=O AB62330 [0,1,0,0,0,0|0,0,1]=2 209 B10R1.15 c1ccnc(c1)C(=O)CBr AB23665 [0,1,0,0,0,0|0,0,0]=1 210 B10R1.15 c1cnc(cn1)C(=O)NN AB07083 [0,1,0,0,0,0|2,0,0]=3 211 B10R1.15 c1cnccc1C(=O)C=O AB62328 [0,1,0,0,0,0|2,0,1]=4 212 B10R1.15 c1cnccc1C(=O)CBr AB12154 [0,1,0,0,0,0|2,0,0]=3 213 B10R1.15 c1cncnc1C(=O)NN AB28062 [0,1,0,0,0,0|2,0,0]=3 214 B10R1.28 CC(C)(C)c1ccccn1 CB10120 [0,1,0,0,0,0|1,0,1]=3 215 B10R1.28 CC(C)(c1ccccn1)N AB48746 [0,1,0,0,0,0|1,0,1]=3 216 B10R1.28 C[Sn](C)(C)c1ccncn1 AB70595 [0,1,0,0,0,0|3,0,0]=4 217 B10R1.28 C[Sn](C)(C)c1ncccn1 AB73301 [0,1,0,0,0,0|3,0,0]=4 218 B10R1.28 c1ccnc(c1)C(F)(F)F MB02365 [0,1,0,0,0,0|2,0,1]=4 219 B10R1.28 c1ccnc(c1)S(=O)(=O)Cl AB09523 [0,1,0,0,0,0|2,0,0]=3 220 B10R1.28 c1ccnc(c1)S(=O)(=O)Cl AB14073 [0,1,0,0,0,0|2,0,0]=3 221 B10R1.28 c1ccnc(c1)S(=O)(=O)N PB16122 [0,1,0,0,0,0|2,0,0]=3 222 B10R1.28 c1cnc(cn1)S(=O)(=O)Cl AB60547 [0,1,0,0,0,0|3,0,0]=4 223 B10R1.61 B(c1c(cccn1)C)(O)O AB06942 [0,1,0,0,0,0|2,0,1]=4 224 B10R1.61 B(c1c(cccn1)O)(O)O AB48454 [0,1,0,0,0,0|2,0,1]=4 225 B10R1.61 CC(=O)c1c(cccn1)Cl PB28312 [0,1,0,0,0,0|0,0,0]=1 226 B10R1.61 CC(=O)c1c(cccn1)F PB26212 [0,1,0,0,0,0|0,0,0]=1 227 B10R1.61 CC(=O)c1c(cccn1)N AB08681 [0,1,0,0,0,0|0,0,0]=1 228 B10R1.61 CC(=O)c1c(nccn1)Cl PB31492 [0,1,0,0,0,0|1,0,0]=2 229 B10R1.61 CC(=O)c1c(nccn1)N PB17764 [0,1,0,0,0,0|1,0,0]=2 230 B10R1.61 CC(=O)c1cccnc1Br AB18171 [0,1,0,0,0,0|2,0,0]=3 231 B10R1.61 CC(=O)c1cccnc1Cl PB32351 [0,1,0,0,0,0|2,0,0]=3 232 B10R1.61 CC(=O)c1cccnc1F AB41104 [0,1,0,0,0,0|2,0,0]=3 233 B10R1.61 CC(=O)c1cccnc1N AB11689 [0,1,0,0,0,0|2,0,0]=3 234 B10R1.61 CC(=O)c1ccncc1Br PB12099 [0,1,0,0,0,0|2,0,0]=3 235 B10R1.61 CC(=O)c1ccncc1F PB22036 [0,1,0,0,0,0|2,0,0]=3 236 B10R1.61 CC(=O)c1ccncc1N AB41121 [0,1,0,0,0,0|2,0,0]=3 237 B10R1.61 CC(=O)c1cnccc1Br AB64732 [0,1,0,0,0,0|2,0,0]=3 238 B10R1.61 CC(=O)c1cnccc1Cl AB64447 [0,1,0,0,0,0|2,0,0]=3 239 B10R1.61 CC(=O)c1cnccc1F AB41107 [0,1,0,0,0,0|2,0,0]=3 240 B10R1.61 CC(C)c1c(cccn1)O MB22687 [0,1,0,0,0,0|1,0,1]=3 241 B10R1.61 CC(C)c1c(nccn1)Cl AB70582 [0,1,0,0,0,0|2,0,1]=4 242 B10R1.61 CN(C)c1c(cccn1)Br AB67478 [0,1,0,0,0,0|2,0,0]=3 243 B10R1.61 CN(C)c1c(cccn1)Cl AB67480 [0,1,0,0,0,0|2,0,0]=3 244 B10R1.61 CN(C)c1c(cccn1)O MB24991 [0,1,0,0,0,0|2,0,0]=3 245 B10R1.61 CN(C)c1c(nccn1)Cl MB12030 [0,1,0,0,0,0|3,0,0]=4 246 B10R1.61 CN(C)c1ccccc1O MB08302 [0,1,0,0,0,0|3,0,0]=4 247 B10R1.61 Cc1c(cccn1)C(=O)C AB03570 [0,1,0,0,0,0|2,0,0]=3 248 B10R1.61 Cc1c(cccn1)C(=O)O PB27380 [0,1,0,0,0,0|3,0,0]=4 249 B10R1.61 Cc1c(nccn1)C(=O)O PB12562 [0,1,0,0,0,0|2,0,0]=3 250 B10R1.61 Cc1ccccc1C(=N)N AB18273 [0,1,0,0,0,0|3,0,0]=4 251 B10R1.61 Cc1ccccc1C(=S)N AB16881 [0,1,0,0,0,0|2,1,0]=4 252 B10R1.61 Cc1cccnc1C(=O)O PB10121 [0,1,0,0,0,0|1,0,0]=2 253 B10R1.61 Cc1ccncc1C(=O)C AB45306 [0,1,0,0,0,0|2,0,0]=3 254 B10R1.61 Cc1ccncc1C(=O)O PB17119 [0,1,0,0,0,0|3,0,0]=4 255 B10R1.61 Cc1ccnnc1C(=O)O PB17664 [0,1,0,0,0,0|2,0,0]=3 256 B10R1.61 Cc1cnccc1C(=O)O PB12103 [0,1,0,0,0,0|3,0,0]=4 257 B10R1.61 c1c(c(ncn1)C(=O)O)Br PB12688 [0,1,0,0,0,0|2,0,0]=3 258 B10R1.61 c1cc(c(nc1)Br)C(=O)O AB09561 [0,1,0,0,0,0|3,0,0]=4 259 B10R1.61 c1cc(c(nc1)C(=O)N)N PB24920 [0,1,0,0,0,0|1,0,0]=2 260 B10R1.61 c1cc(c(nc1)C(=O)O)Cl PB30690 [0,1,0,0,0,0|1,0,0]=2 261 B10R1.61 c1cc(c(nc1)C(=O)O)F PB12310 [0,1,0,0,0,0|1,0,0]=2 262 B10R1.61 c1cc(c(nc1)C(=O)O)I AB10544 [0,1,0,0,0,0|1,0,0]=2 263 B10R1.61 c1cc(c(nc1)C(=O)O)N PB32134 [0,1,0,0,0,0|1,0,0]=2 264 B10R1.61 c1cc(c(nc1)Cl)C(=O)O AB00651 [0,1,0,0,0,0|3,0,0]=4 265 B10R1.61 c1cc(c(nc1)F)C(=O)O AB01814 [0,1,0,0,0,0|3,0,0]=4 266 B10R1.61 c1cc(c(nc1)N)C(=O)O PB30535 [0,1,0,0,0,0|3,0,0]=4 267 B10R1.61 c1cc(c(nc1)O)C(=O)O AB01020 [0,1,0,0,0,0|3,0,0]=4 268 B10R1.61 c1cc(c(nc1)[N+](=O)[O-])O AB00667 [0,1,0,0,0,0|2,0,0]=3 269 B10R1.61 c1ccc(c(c1)C(=N)N)Br AB18326 [0,1,0,0,0,0|3,0,0]=4 270 B10R1.61 c1ccc(c(c1)C(=N)N)Cl AB05888 [0,1,0,0,0,0|3,0,0]=4 271 B10R1.61 c1ccc(c(c1)C(=N)N)F AB18318 [0,1,0,0,0,0|3,0,0]=4 272 B10R1.61 c1ccc(c(c1)C(=N)N)O AB55085 [0,1,0,0,0,0|3,0,0]=4 273 B10R1.61 c1ccc(c(c1)C(=O)O)Br AB00223 [0,1,0,0,0,0|2,0,0]=3 274 B10R1.61 c1ccc(c(c1)C(=S)N)Br AB21272 [0,1,0,0,0,0|2,1,0]=4 275 B10R1.61 c1ccc(c(c1)C(=S)N)Cl AB01839 [0,1,0,0,0,0|2,1,0]=4 276 B10R1.61 c1ccc(c(c1)C(=S)N)N AB07816 [0,1,0,0,0,0|2,1,0]=4 277 B10R1.61 c1cnc(c(n1)C(=O)Cl)Cl AB60404 [0,1,0,0,0,0|2,0,0]=3 278 B10R1.61 c1cnc(c(n1)C(=O)N)N AB14047 [0,1,0,0,0,0|2,0,0]=3 279 B10R1.61 c1cnc(c(n1)C(=O)N)O CB10307 [0,1,0,0,0,0|2,0,0]=3 280 B10R1.61 c1cnc(c(n1)C(=O)O)Cl PB23222 [0,1,0,0,0,0|2,0,0]=3 281 B10R1.61 c1cnc(c(n1)C(=O)O)N AB00606 [0,1,0,0,0,0|2,0,0]=3 282 B10R1.61 c1cnc(c(n1)C(=O)O)O PB18475 [0,1,0,0,0,0|2,0,0]=3 283 B10R1.61 c1cnc(c(n1)[N+](=O)[O-])Cl AB60519 [0,1,0,0,0,0|3,0,0]=4 284 B10R1.61 c1cncc(c1Br)C(=O)O AB18009 [0,1,0,0,0,0|3,0,0]=4 285 B10R1.61 c1cncc(c1C(=O)N)O MB13532 [0,1,0,0,0,0|3,0,0]=4 286 B10R1.61 c1cncc(c1C(=O)O)Br PB10062 [0,1,0,0,0,0|3,0,0]=4 287 B10R1.61 c1cncc(c1C(=O)O)Cl AB13346 [0,1,0,0,0,0|3,0,0]=4 288 B10R1.61 c1cncc(c1C(=O)O)I AB09565 [0,1,0,0,0,0|3,0,0]=4 289 B10R1.61 c1cncc(c1C(=O)O)N PB17122 [0,1,0,0,0,0|3,0,0]=4 290 B10R1.61 c1cncc(c1C(=O)O)O PB29057 [0,1,0,0,0,0|3,0,0]=4 291 B10R1.61 c1cncc(c1Cl)C(=O)O AB03598 [0,1,0,0,0,0|3,0,0]=4 292 B10R1.61 c1cncc(c1F)C(=O)O AB18036 [0,1,0,0,0,0|3,0,0]=4 293 B10R1.61 c1cncc(c1I)C(=O)O AB15003 [0,1,0,0,0,0|3,0,0]=4 294 B10R1.61 c1cncc(c1N)C(=O)N PB21456 [0,1,0,0,0,0|3,0,0]=4 295 B10R1.61 c1cncc(c1N)C(=O)O PB26016 [0,1,0,0,0,0|3,0,0]=4 296 B10R1.61 c1cncc(c1O)C(=O)N MB06099 [0,1,0,0,0,0|3,0,0]=4 297 B10R1.61 c1cncc(c1O)C(=O)O AB01802 [0,1,0,0,0,0|3,0,0]=4 298 B10R1.61 c1nc(c(nn1)C(=O)O)O AB72460 [0,1,0,0,0,0|3,0,0]=4 299 B10R1.113 B(c1cc(ccn1)C)(O)O AB13221 [0,1,0,0,0,0|2,0,1]=4 300 B10R1.113 B(c1cc(ccn1)F)(O)O AB43303 [0,1,0,0,0,0|2,0,1]=4 301 B10R1.113 B(c1cccc(n1)Br)(O)O AB18040 [0,1,0,0,0,0|2,0,1]=4 302 B10R1.113 B(c1cccc(n1)C)(O)O AB13224 [0,1,0,0,0,0|2,0,1]=4 303 B10R1.113 B(c1cccc(n1)Cl)(O)O AB43435 [0,1,0,0,0,0|2,0,1]=4 304 B10R1.113 B(c1cccc(n1)F)(O)O AB48607 [0,1,0,0,0,0|2,0,1]=4 305 B10R1.113 B(c1cccc(n1)O)(O)O AB45591 [0,1,0,0,0,0|2,0,1]=4 306 B10R1.113 C1C(=O)N=C(C=N1)C(=O)O AB60468 [0,1,0,0,0,0|2,0,1]=4 307 B10R1.113 CC(=O)c1cc(ccn1)Br AB67963 [0,1,0,0,0,0|0,0,0]=1 308 B10R1.113 CC(=O)c1cc(ccn1)Cl AB60198 [0,1,0,0,0,0|0,0,0]=1 309 B10R1.113 CC(=O)c1cc(ccn1)F AB68049 [0,1,0,0,0,0|0,0,0]=1 310 B10R1.113 CC(=O)c1cc(ccn1)O AB69730 [0,1,0,0,0,0|0,0,0]=1 311 B10R1.113 CC(=O)c1cc(cnc1)Br PB20794 [0,1,0,0,0,0|2,0,0]=3 312 B10R1.113 CC(=O)c1cc(cnc1)F AB41114 [0,1,0,0,0,0|2,0,0]=3 313 B10R1.113 CC(=O)c1cc(cnc1)N AB30920 [0,1,0,0,0,0|2,0,0]=3 314 B10R1.113 CC(=O)c1cc(ncn1)Cl AB75829 [0,1,0,0,0,0|1,0,0]=2 315 B10R1.113 CC(=O)c1cc(nnc1)Cl AB76969 [0,1,0,0,0,0|3,0,0]=4 316 B10R1.113 CC(=O)c1cccc(n1)Br AB05570 [0,1,0,0,0,0|0,0,0]=1 317 B10R1.113 CC(=O)c1cccc(n1)Cl AB41100 [0,1,0,0,0,0|0,0,0]=1 318 B10R1.113 CC(=O)c1cccc(n1)F AB50226 [0,1,0,0,0,0|0,0,0]=1 319 B10R1.113 CC(=O)c1cccc(n1)N AB67452 [0,1,0,0,0,0|0,0,0]=1 320 B10R1.113 CC(=O)c1ccnc(c1)Br AB31302 [0,1,0,0,0,0|2,0,0]=3 321 B10R1.113 CC(=O)c1ccnc(c1)Cl PB18811 [0,1,0,0,0,0|2,0,0]=3 322 B10R1.113 CC(=O)c1ccnc(c1)F AB50237 [0,1,0,0,0,0|2,0,0]=3 323 B10R1.113 CC(=O)c1ccnc(c1)N AB67454 [0,1,0,0,0,0|2,0,0]=3 324 B10R1.113 CC(=O)c1ccnc(n1)Cl AB76950 [0,1,0,0,0,0|1,0,0]=2 325 B10R1.113 CC(=O)c1ccnc(n1)N PB23634 [0,1,0,0,0,0|1,0,0]=2 326 B10R1.113 CC(C)c1cc(ccn1)O MB11626 [0,1,0,0,0,0|1,0,1]=3 327 B10R1.113 CC(C)c1cc(ncn1)Br MB09511 [0,1,0,0,0,0|2,0,1]=4 328 B10R1.113 CC(C)c1cc(ncn1)Cl AB51366 [0,1,0,0,0,0|2,0,1]=4 329 B10R1.113 CC(C)c1cc(ncn1)N AB54959 [0,1,0,0,0,0|2,0,1]=4 330 B10R1.113 CC(C)c1cc(ncn1)O AB54885 [0,1,0,0,0,0|2,0,1]=4 331 B10R1.113 CC(C)c1cccc(n1)Br MB09496 [0,1,0,0,0,0|1,0,1]=3 332 B10R1.113 CC(C)c1nccc(n1)Br AB63999 [0,1,0,0,0,0|2,0,1]=4 333 B10R1.113 CC(C)c1nccc(n1)Cl AB51255 [0,1,0,0,0,0|2,0,1]=4 334 B10R1.113 CC(c1cccc(n1)Br)N AB67302 [0,1,0,0,0,0|1,0,1]=3 335 B10R1.113 CC(c1cccc(n1)Cl)N AB67350 [0,1,0,0,0,0|1,0,1]=3 336 B10R1.113 CN(C)c1cc(ccn1)Br AB64930 [0,1,0,0,0,0|2,0,0]=3 337 B10R1.113 CN(C)c1cc(ccn1)Cl AB49336 [0,1,0,0,0,0|2,0,0]=3 338 B10R1.113 CN(C)c1cc(ccn1)O MB15076 [0,1,0,0,0,0|2,0,0]=3 339 B10R1.113 CN(C)c1cc(ncn1)Br MB14278 [0,1,0,0,0,0|3,0,0]=4 340 B10R1.113 CN(C)c1cccc(n1)Br AB54123 [0,1,0,0,0,0|2,0,0]=3 341 B10R1.113 CN(C)c1cccc(n1)Cl AB67484 [0,1,0,0,0,0|2,0,0]=3 342 B10R1.113 CN(C)c1ccnc(n1)Br MB14133 [0,1,0,0,0,0|3,0,0]=4 343 B10R1.113 CN(C)c1cncc(n1)Cl AB65245 [0,1,0,0,0,0|3,0,0]=4 344 B10R1.113 CN(C)c1nccc(n1)Br MB08082 [0,1,0,0,0,0|3,0,0]=4 345 B10R1.113 CN(C)c1nccc(n1)Cl AB05128 [0,1,0,0,0,0|3,0,0]=4 346 B10R1.113 C[C@@H](c1cccc(c1)N)N AB29091 [0,1,0,0,0,0|2,0,1]=4 347 B10R1.113 C[C@H](c1cccc(c1)O)N AB21156 [0,1,0,0,0,0|2,0,1]=4 348 B10R1.113 Cc1cc(ccn1)C(=O)C AB41122 [0,1,0,0,0,0|2,0,0]=3 349 B10R1.113 Cc1cc(ccn1)C(=O)Cl AB60195 [0,1,0,0,0,0|3,0,0]=4 350 B10R1.113 Cc1cc(ccn1)C(=O)O AB06393 [0,1,0,0,0,0|3,0,0]=4 351 B10R1.113 Cc1cc(cnc1)C(=O)O PB12710 [0,1,0,0,0,0|3,0,0]=4 352 B10R1.113 Cc1cc(ncn1)C(=O)C AB50216 [0,1,0,0,0,0|1,0,0]=2 353 B10R1.113 Cc1cc(ncn1)C(=O)O PB20450 [0,1,0,0,0,0|2,0,0]=3 354 B10R1.113 Cc1cccc(c1)C(=N)N AB11452 [0,1,0,0,0,0|3,0,0]=4 355 B10R1.113 Cc1cccc(c1)C(=S)N AB08506 [0,1,0,0,0,0|2,1,0]=4 356 B10R1.113 Cc1cccc(n1)C(=O)C AB25782 [0,1,0,0,0,0|0,0,0]=1 357 B10R1.113 Cc1cccc(n1)C(=O)O AB01368 [0,1,0,0,0,0|1,0,0]=2 358 B10R1.113 Cc1cccc(n1)C(C)N AB25816 [0,1,0,0,0,0|1,0,1]=3 359 B10R1.113 Cc1ccnc(c1)C(=O)C AB10395 [0,1,0,0,0,0|0,0,0]=1 360 B10R1.113 Cc1ccnc(c1)C(=O)O AB15851 [0,1,0,0,0,0|1,0,0]=2 361 B10R1.113 Cc1ccnc(n1)C(=N)N PB15470 [0,1,0,0,0,0|3,0,0]=4 362 B10R1.113 Cc1ccnc(n1)C(=O)O PB31505 [0,1,0,0,0,0|2,0,0]=3 363 B10R1.113 Cc1ccnc(n1)C(C)N AB59470 [0,1,0,0,0,0|2,0,1]=4 364 B10R1.113 Cc1cncc(n1)C(=O)O AB48615 [0,1,0,0,0,0|2,0,0]=3 365 B10R1.113 Cc1nccc(n1)C(=O)C AB04788 [0,1,0,0,0,0|1,0,0]=2 366 B10R1.113 c1c(cncc1Cl)C(=O)O PB25983 [0,1,0,0,0,0|3,0,0]=4 367 B10R1.113 c1c(cncc1F)C(=O)O PB23226 [0,1,0,0,0,0|3,0,0]=4 368 B10R1.113 c1c(cncc1N)C(=O)O PB13029 [0,1,0,0,0,0|3,0,0]=4 369 B10R1.113 c1c(cncc1O)C(=O)N MB01725 [0,1,0,0,0,0|3,0,0]=4 370 B10R1.113 c1c(cncc1O)C(=O)O PB33816 [0,1,0,0,0,0|3,0,0]=4 371 B10R1.113 c1c(nc(cn1)Br)C(=O)N MB14307 [0,1,0,0,0,0|2,0,0]=3 372 B10R1.113 c1c(nc(cn1)Br)C(=O)O AB69955 [0,1,0,0,0,0|2,0,0]=3 373 B10R1.113 c1c(nc(cn1)Cl)C(=O)O PB21720 [0,1,0,0,0,0|2,0,0]=3 374 B10R1.113 c1c(nc(cn1)Cl)[N+](=O)[O-] AB60515 [0,1,0,0,0,0|3,0,0]=4 375 B10R1.113 c1c(nc(cn1)N)C(=O)O AB60537 [0,1,0,0,0,0|2,0,0]=3 376 B10R1.113 c1c(ncnc1Br)C(=O)N MB14319 [0,1,0,0,0,0|2,0,0]=3 377 B10R1.113 c1c(ncnc1Cl)C(=O)O AB48398 [0,1,0,0,0,0|2,0,0]=3 378 B10R1.113 c1cc(cc(c1)Br)C(=N)N AB18330 [0,1,0,0,0,0|3,0,0]=4 379 B10R1.113 c1cc(cc(c1)Br)C(=O)N MB00265 [0,1,0,0,0,0|2,0,0]=3 380 B10R1.113 c1cc(cc(c1)Br)C(=S)N AB21268 [0,1,0,0,0,0|2,1,0]=4 381 B10R1.113 c1cc(cc(c1)Cl)C(=S)N AB05898 [0,1,0,0,0,0|2,1,0]=4 382 B10R1.113 c1cc(cc(c1)F)C(=N)N AB18313 [0,1,0,0,0,0|3,0,0]=4 383 B10R1.113 c1cc(cc(c1)F)C(=S)N AB21276 [0,1,0,0,0,0|2,1,0]=4 384 B10R1.113 c1cc(cc(c1)N)C(=N)N AB01115 [0,1,0,0,0,0|3,0,0]=4 385 B10R1.113 c1cc(cc(c1)N)C(=S)N AB21283 [0,1,0,0,0,0|2,1,0]=4 386 B10R1.113 c1cc(cc(c1)O)C(=N)N AB55570 [0,1,0,0,0,0|3,0,0]=4 387 B10R1.113 c1cc(cc(c1)O)C(=O)N MB00281 [0,1,0,0,0,0|2,0,0]=3 388 B10R1.113 c1cc(nc(c1)Br)C(=O)N MB00999 [0,1,0,0,0,0|1,0,0]=2 389 B10R1.113 c1cc(nc(c1)Br)C(=O)O AB03328 [0,1,0,0,0,0|1,0,0]=2 390 B10R1.113 c1cc(nc(c1)Br)C(F)F AB70747 [0,1,0,0,0,0|2,0,1]=4 391 B10R1.113 c1cc(nc(c1)Cl)C(=O)O AB04138 [0,1,0,0,0,0|1,0,0]=2 392 B10R1.113 c1cc(nc(c1)F)C(=O)O AB11487 [0,1,0,0,0,0|1,0,0]=2 393 B10R1.113 c1cc(nc(c1)I)C(=O)N AB42518 [0,1,0,0,0,0|1,0,0]=2 394 B10R1.113 c1cc(nc(c1)I)C(=O)O AB42497 [0,1,0,0,0,0|1,0,0]=2 395 B10R1.113 c1cc(nc(c1)N)C(=O)O PB23179 [0,1,0,0,0,0|1,0,0]=2 396 B10R1.113 c1cc(nc(c1)[N+](=O)[O-])N AB17978 [0,1,0,0,0,0|2,0,0]=3 397 B10R1.113 c1cnc(cc1Br)C(=O)O PB21234 [0,1,0,0,0,0|1,0,0]=2 398 B10R1.113 c1cnc(cc1Br)C(F)F AB74876 [0,1,0,0,0,0|2,0,1]=4 399 B10R1.113 c1cnc(cc1C(=O)N)Br AB05162 [0,1,0,0,0,0|3,0,0]=4 400 B10R1.113 c1cnc(cc1C(=O)N)Cl AB04952 [0,1,0,0,0,0|3,0,0]=4 401 B10R1.113 c1cnc(cc1C(=O)N)N AB16207 [0,1,0,0,0,0|3,0,0]=4 402 B10R1.113 c1cnc(cc1C(=O)O)Br AB09563 [0,1,0,0,0,0|3,0,0]=4 403 B10R1.113 c1cnc(cc1C(=O)O)Cl PB12125 [0,1,0,0,0,0|3,0,0]=4 404 B10R1.113 c1cnc(cc1C(=O)O)F AB11490 [0,1,0,0,0,0|3,0,0]=4 405 B10R1.113 c1cnc(cc1C(=O)O)I AB29977 [0,1,0,0,0,0|3,0,0]=4 406 B10R1.113 c1cnc(cc1C(=O)O)N PB19872 [0,1,0,0,0,0|3,0,0]=4 407 B10R1.113 c1cnc(cc1C(=O)O)O PB29144 [0,1,0,0,0,0|3,0,0]=4 408 B10R1.113 c1cnc(cc1Cl)C(=O)N AB08235 [0,1,0,0,0,0|1,0,0]=2 409 B10R1.113 c1cnc(cc1Cl)C(=O)O AB04585 [0,1,0,0,0,0|1,0,0]=2 410 B10R1.113 c1cnc(cc1F)C(=O)O AB40659 [0,1,0,0,0,0|1,0,0]=2 411 B10R1.113 c1cnc(cc1I)C(=O)O AB28008 [0,1,0,0,0,0|1,0,0]=2 412 B10R1.113 c1cnc(cc1I)C(=O)O PB20818 [0,1,0,0,0,0|1,0,0]=2 413 B10R1.113 c1cnc(cc1N)C(=O)N AB43415 [0,1,0,0,0,0|1,0,0]=2 414 B10R1.113 c1cnc(cc1N)C(=O)O PB23313 [0,1,0,0,0,0|1,0,0]=2 415 B10R1.113 c1cnc(cc1N)[N+](=O)[O-] AB17927 [0,1,0,0,0,0|2,0,0]=3 416 B10R1.113 c1cnc(cc1O)C(=O)N MB05243 [0,1,0,0,0,0|1,0,0]=2 417 B10R1.113 c1cnc(cc1O)C(=O)O AB06407 [0,1,0,0,0,0|1,0,0]=2 418 B10R1.113 c1cnc(nc1Br)C(=O)N MB14225 [0,1,0,0,0,0|2,0,0]=3 419 B10R1.113 c1cnc(nc1C(=O)N)Br MB14149 [0,1,0,0,0,0|2,0,0]=3 420 B10R1.113 c1cnc(nc1C(=O)N)Cl PB21684 [0,1,0,0,0,0|2,0,0]=3 421 B10R1.113 c1cnc(nc1C(=O)O)Cl AB28457 [0,1,0,0,0,0|2,0,0]=3 422 B10R1.113 c1cnc(nc1C(=O)O)N AB42844 [0,1,0,0,0,0|2,0,0]=3 423 B10R1.113 c1cnc(nc1Cl)C(=O)O AB55866 [0,1,0,0,0,0|2,0,0]=3 424 B10R2.6 c1cnc(nc1)C2CC2 PB25710 [0,0,0,1,0,0|2,0,1]=4 425 B8R1.7 C1=NC=NC1C(=O)N CB10787 [0,0,0,0,1,0|2,0,1]=4 426 B8R1.7 C1=NC=NC1C(=O)O AB03082 [0,0,0,0,1,0|2,0,1]=4 427 B8R1.7 C1C=C(C=N1)C(=O)O MB01464 [0,0,0,0,1,0|2,0,1]=4 428 B8R1.7 C1C=C(N=N1)C(=O)N CB11465 [0,0,0,0,1,0|2,0,1]=4 429 B8R1.7 C1C=C(N=N1)C(=O)O AB06191 [0,0,0,0,1,0|2,0,1]=4 430 B8R1.7 C1C=C(N=N1)C(=O)O PB17100 [0,0,0,0,1,0|2,0,1]=4 431 B8R1.7 C1C=NC(=N1)C(=O)N AB50089 [0,0,0,0,1,0|2,0,1]=4 432 B8R1.7 CC(=O)C1=CN=CC1 AB02749 [0,0,0,0,1,0|1,0,1]=3 433 B8R1.7 CC(=O)c1ccsc1 PB17033 [0,0,0,0,1,0|1,0,0]=2 434 B8R1.7 CC(=O)c1cocn1 AB73503 [0,0,0,0,1,0|1,0,0]=2 435 B8R1.7 CC(=O)c1ncco1 AB42105 [0,0,0,0,1,0|1,0,0]=2 436 B8R1.7 CC(c1ccoc1)N AB27902 [0,0,0,0,1,0|2,0,1]=4 437 B8R1.7 CC(c1ccoc1)N AB66830 [0,0,0,0,1,0|2,0,1]=4 438 B8R1.7 CC(c1cscn1)N AB27900 [0,0,0,0,1,0|2,0,1]=4 439 B8R1.7 CC(c1nccs1)N AB12719 [0,0,0,0,1,0|2,0,1]=4 440 B8R1.7 C[C@@H](c1nccs1)N AB66719 [0,0,0,0,1,0|2,0,1]=4 441 B8R1.7 C[C@H](c1nccs1)N AB68275 [0,0,0,0,1,0|2,0,1]=4 442 B8R1.7 c1[nH]c(nn1)C(=O)O AB04453 [0,0,0,0,1,0|3,0,0]=4 443 B8R1.7 c1[nH]nc(n1)C(=O)O AB02998 [0,0,0,0,1,0|3,0,0]=4 444 B8R1.7 c1c(con1)C(=O)O AB27926 [0,0,0,0,1,0|3,0,0]=4 445 B8R1.7 c1c(csn1)C(=O)O AB48586 [0,0,0,0,1,0|3,0,0]=4 446 B8R1.7 c1c(nco1)C(=O)O PB14470 [0,0,0,0,1,0|2,0,0]=3 447 B8R1.7 c1c(nco1)C(=O)[O-] AB28203 [0,0,0,0,1,0|2,0,0]=3 448 B8R1.7 c1c(nco1)C(=S)N AB28178 [0,0,0,0,1,0|2,1,0]=4 449 B8R1.7 c1c(ncs1)C(=O)N AB06564 [0,0,0,0,1,0|2,0,0]=3 450 B8R1.7 c1c(ncs1)C(=O)O AB06561 [0,0,0,0,1,0|2,0,0]=3 451 B8R1.7 c1c(ncs1)C(=S)N AB19864 [0,0,0,0,1,0|2,1,0]=4 452 B8R1.7 c1c(non1)C(=O)O AB06534 [0,0,0,0,1,0|3,0,0]=4 453 B8R1.7 c1c(nsn1)C(=O)O AB09086 [0,0,0,0,1,0|3,0,0]=4 454 B8R1.7 c1c(ocn1)C(=O)N AB19298 [0,0,0,0,1,0|3,0,0]=4 455 B8R1.7 c1c(ocn1)C(=O)O AB19293 [0,0,0,0,1,0|3,0,0]=4 456 B8R1.7 c1c(scn1)C(=O)O AB15430 [0,0,0,0,1,0|3,0,0]=4 457 B8R1.7 c1cc(oc1)C(=N)N AB07706 [0,0,0,0,1,0|3,0,0]=4 458 B8R1.7 c1cnsc1C(=O)O AB32452 [0,0,0,0,1,0|3,0,0]=4 459 B8R1.7 c1coc(n1)C(=O)N AB19289 [0,0,0,0,1,0|2,0,0]=3 460 B8R1.7 c1coc(n1)C(=O)O AB19305 [0,0,0,0,1,0|2,0,0]=3 461 B8R1.7 c1coc(n1)C(=S)N AB19285 [0,0,0,0,1,0|2,1,0]=4 462 B8R1.7 c1cocc1C(=O)O PB30525 [0,0,0,0,1,0|2,0,0]=3 463 B8R1.7 c1conc1C(=O)O PB26232 [0,0,0,0,1,0|2,0,0]=3 464 B8R1.7 c1conc1C(=S)N AB21754 [0,0,0,0,1,0|2,1,0]=4 465 B8R1.7 c1csc(n1)C(=N)N PB24428 [0,0,0,0,1,0|3,0,0]=4 466 B8R1.7 c1csc(n1)C(=O)O AB10888 [0,0,0,0,1,0|2,0,0]=3 467 B8R1.7 c1csc(n1)C(=S)N AB28335 [0,0,0,0,1,0|2,1,0]=4 468 B8R1.7 c1cscc1C(=O)O PB18386 [0,0,0,0,1,0|2,0,0]=3 469 B8R1.7 c1csnc1C(=O)O PB34433 [0,0,0,0,1,0|2,0,0]=3 470 B8R1.7 c1nnc(o1)C(=O)O AB57583 [0,0,0,0,1,0|3,0,0]=4 471 B10R1.18 CC(=O)Cc1ccccn1 AB03323 [0,0,0,0,0,1|0,0,0]=1 472 B10R1.18 CC(=O)Cc1cccnc1 AB29343 [0,0,0,0,0,1|2,0,0]=3 473 B10R1.18 CC(=O)Cc1cccnc1 AB45525 [0,0,0,0,0,1|2,0,0]=3 474 B10R1.18 CC(=O)Cc1ncccn1 MB07248 [0,0,0,0,0,1|1,0,0]=2 475 B10R1.18 CC(=O)Nc1ccncc1 AB06982 [0,0,0,0,0,1|2,0,0]=3 476 B10R1.18 CC(C)Oc1ccccn1 AB63711 [0,0,0,0,0,1|1,0,1]=3 477 B10R1.18 CC(Cc1ccccn1)N AB12969 [0,0,0,0,0,1|1,0,1]=3 478 B10R1.18 CC(Cc1cnccn1)N AB28467 [0,0,0,0,0,1|2,0,1]=4 479 B10R1.18 C[C@@H](Cc1ccccc1)N AB03711 [0,0,0,0,0,1|2,0,1]=4 480 B10R1.18 C[C@H](Cc1ccccc1)N AB07478 [0,0,0,0,0,1|2,0,1]=4 481 B10R1.18 c1cc(cnc1)CC(=O)O AB01106 [0,0,0,0,0,1|3,0,0]=4 482 B10R1.18 c1cc(nnc1)CC(=O)O PB14847 [0,0,0,0,0,1|2,0,0]=3 483 B10R1.18 c1ccc(cc1)CC(=N)N AB29087 [0,0,0,0,0,1|3,0,0]=4 484 B10R1.18 c1cnc(cn1)CC(=O)O PB10382 [0,0,0,0,0,1|2,0,0]=3 485 B10R1.18 c1cnc(nc1)CC(=O)O PB34087 [0,0,0,0,0,1|2,0,0]=3 486 B10R1.18 c1cnc(nc1)NC(=N)N AB52859 [0,0,0,0,0,1|3,0,0]=4 487 B10R1.18 c1cncnc1CC(=O)O PB21983 [0,0,0,0,0,1|2,0,0]=3 488 B7R1.3 Cc1cccnn1 PB33649 [2,0,0,0,0,0|1,0,0]=3 489 B7R1.3 Cc1ccncn1 PB17038 [2,0,0,0,0,0|1,0,0]=3 490 B7R1.3 Cc1nccnn1 AB55984 [2,0,0,0,0,0|2,0,0]=4 491 B7R1.3 c1cc(nnc1)Br MB08580 [2,0,0,0,0,0|2,0,0]=4 492 B7R1.3 c1cc(nnc1)Cl AB30021 [2,0,0,0,0,0|2,0,0]=4 493 B7R1.3 c1cc(nnc1)Cl PB34726 [2,0,0,0,0,0|2,0,0]=4 494 B7R1.3 c1cc(nnc1)N PB17217 [2,0,0,0,0,0|2,0,0]=4 495 B7R1.3 c1cc(nnc1)O PB32258 [2,0,0,0,0,0|1,0,1]=4 496 B7R1.3 c1ccnc(c1)Br AB00627 [2,0,0,0,0,0|1,0,0]=3 497 B7R1.3 c1cnc(cn1)Br MB06072 [2,0,0,0,0,0|2,0,0]=4 498 B7R1.3 c1cnc(cn1)I AB08841 [2,0,0,0,0,0|2,0,0]=4 499 B7R1.3 c1cnc(cn1)N PB30528 [2,0,0,0,0,0|2,0,0]=4 500 B7R1.3 c1cnc(cn1)O AB05056 [2,0,0,0,0,0|1,0,1]=4 501 B7R1.3 c1cnc(nc1)Cl AB00572 [2,0,0,0,0,0|2,0,0]=4 502 B7R1.3 c1cnc(nc1)N MB00175 [2,0,0,0,0,0|2,0,0]=4 503 B7R1.3 c1cncnc1Br PB10690 [2,0,0,0,0,0|2,0,0]=4 504 B7R1.3 c1cncnc1Cl AB43600 [2,0,0,0,0,0|2,0,0]=4 505 B7R1.3 c1cncnc1Cl PB13479 [2,0,0,0,0,0|2,0,0]=4 506 B7R1.3 c1cncnc1N PB11581 [2,0,0,0,0,0|2,0,0]=4 507 B7R1.3 c1cncnc1O PB32093 [2,0,0,0,0,0|1,0,1]=4 508 B9R1.1 C#Cc1ccc(cn1)Br AB13647 [1,1,0,0,0,0|0,0,2]=4 509 B9R1.1 C#Cc1ccc(cn1)Cl AB68972 [1,1,0,0,0,0|0,0,2]=4 510 B9R1.1 C1C(=O)N=CC(=N1)C=O AB60510 [1,1,0,0,0,0|1,0,1]=4 511 B9R1.1 CCc1ccc(cn1)N AB63590 [1,1,0,0,0,0|0,0,1]=3 512 B9R1.1 CCc1ccc(cn1)O MB03842 [1,1,0,0,0,0|0,0,1]=3 513 B9R1.1 CCc1cnc(cn1)Br AB64001 [1,1,0,0,0,0|1,0,1]=4 514 B9R1.1 CCc1cnc(cn1)Cl AB73111 [1,1,0,0,0,0|1,0,1]=4 515 B9R1.1 CCc1cnc(cn1)N AB60527 [1,1,0,0,0,0|1,0,1]=4 516 B9R1.1 CCc1ncc(cn1)N PB12017 [1,1,0,0,0,0|1,0,1]=4 517 B9R1.1 CNc1ccc(cn1)Br AB44353 [1,1,0,0,0,0|1,0,0]=3 518 B9R1.1 CNc1ccc(cn1)Cl AB07756 [1,1,0,0,0,0|1,0,0]=3 519 B9R1.1 CNc1ccc(cn1)O AB69733 [1,1,0,0,0,0|1,0,0]=3 520 B9R1.1 CNc1cnc(cn1)Br MB08140 [1,1,0,0,0,0|2,0,0]=4 521 B9R1.1 CNc1ncc(cn1)Br AB31940 [1,1,0,0,0,0|2,0,0]=4 522 B9R1.1 CNc1ncc(cn1)Cl AB58660 [1,1,0,0,0,0|2,0,0]=4 523 B9R1.1 COc1ccc(cn1)Br AB08771 [1,1,0,0,0,0|1,0,0]=3 524 B9R1.1 COc1ccc(cn1)Cl AB23682 [1,1,0,0,0,0|1,0,0]=3 525 B9R1.1 COc1ccc(cn1)F AB13611 [1,1,0,0,0,0|1,0,0]=3 526 B9R1.1 COc1ccc(cn1)N PB27370 [1,1,0,0,0,0|1,0,0]=3 527 B9R1.1 COc1ccc(cn1)O CB10969 [1,1,0,0,0,0|1,0,0]=3 528 B9R1.1 COc1ccc(nn1)Cl PB28962 [1,1,0,0,0,0|2,0,0]=4 529 B9R1.1 COc1ccc(nn1)I AB59856 [1,1,0,0,0,0|2,0,0]=4 530 B9R1.1 COc1ccc(nn1)N PB23243 [1,1,0,0,0,0|2,0,0]=4 531 B9R1.1 COc1cnc(cn1)Br PB10528 [1,1,0,0,0,0|2,0,0]=4 532 B9R1.1 COc1cnc(cn1)Cl PB22219 [1,1,0,0,0,0|2,0,0]=4 533 B9R1.1 COc1cnc(cn1)I AB75719 [1,1,0,0,0,0|2,0,0]=4 534 B9R1.1 COc1cnc(cn1)N PB26534 [1,1,0,0,0,0|2,0,0]=4 535 B9R1.1 COc1ncc(cn1)Br AB21286 [1,1,0,0,0,0|2,0,0]=4 536 B9R1.1 COc1ncc(cn1)Cl AB42003 [1,1,0,0,0,0|2,0,0]=4 537 B9R1.1 COc1ncc(cn1)N AB43671 [1,1,0,0,0,0|2,0,0]=4 538 B9R1.1 COc1ncc(cn1)O AB58606 [1,1,0,0,0,0|2,0,0]=4 539 B9R1.1 CSc1ccc(cn1)Br AB14151 [1,1,0,0,0,0|1,0,0]=3 540 B9R1.1 CSc1ccc(cn1)O MB25590 [1,1,0,0,0,0|1,0,0]=3 541 B9R1.1 CSc1cnc(cn1)Br MB07628 [1,1,0,0,0,0|2,0,0]=4 542 B9R1.1 CSc1cnc(cn1)N AB43836 [1,1,0,0,0,0|2,0,0]=4 543 B9R1.1 CSc1ncc(cn1)Br AB04480 [1,1,0,0,0,0|2,0,0]=4 544 B9R1.1 CSc1ncc(cn1)Cl AB06339 [1,1,0,0,0,0|2,0,0]=4 545 B9R1.1 CSc1ncc(cn1)N AB58989 [1,1,0,0,0,0|2,0,0]=4 546 B9R1.1 CSc1ncc(cn1)O AB04983 [1,1,0,0,0,0|2,0,0]=4 547 B9R1.1 Cc1ccc(cn1)C=O PB17503 [1,1,0,0,0,0|2,0,0]=4 548 B9R1.1 Cc1ccc(nc1)C=O AB31466 [1,1,0,0,0,0|0,0,0]=2 549 B9R1.1 Cc1ccc(nc1)CCl AB59994 [1,1,0,0,0,0|1,0,1]=4 550 B9R1.1 Cc1ccc(nc1)CN AB48926 [1,1,0,0,0,0|1,0,1]=4 551 B9R1.1 Cc1ccc(nn1)C=O AB44106 [1,1,0,0,0,0|1,0,0]=3 552 B9R1.1 Cc1ccc(nn1)OC AB51434 [1,1,0,0,0,0|2,0,0]=4 553 B9R1.1 Cc1cnc(cn1)C=O PB23818 [1,1,0,0,0,0|1,0,0]=3 554 B9R1.1 Cc1cnc(nc1)C=O PB31489 [1,1,0,0,0,0|1,0,0]=3 555 B9R1.1 c1c(cnc(n1)C=O)Br AB59082 [1,1,0,0,0,0|1,0,0]=3 556 B9R1.1 c1c(cnc(n1)C=O)Cl PB22417 [1,1,0,0,0,0|1,0,0]=3 557 B9R1.1 c1c(cnc(n1)C=O)F PB26883 [1,1,0,0,0,0|1,0,0]=3 558 B9R1.1 c1c(cnc(n1)C=O)N AB58984 [1,1,0,0,0,0|1,0,0]=3 559 B9R1.1 c1c(cnc(n1)C=O)O AB59744 [1,1,0,0,0,0|1,0,0]=3 560 B9R1.1 c1c(ncc(n1)Cl)C=O PB20478 [1,1,0,0,0,0|1,0,0]=3 561 B9R1.1 c1cc(ncc1Br)C#N PB21694 [1,1,0,0,0,0|1,0,1]=4 562 B9R1.1 c1cc(ncc1Br)C=O PB30785 [1,1,0,0,0,0|0,0,0]=2 563 B9R1.1 c1cc(ncc1Br)CCl AB60010 [1,1,0,0,0,0|1,0,1]=4 564 B9R1.1 c1cc(ncc1Br)CN AB23456 [1,1,0,0,0,0|1,0,1]=4 565 B9R1.1 c1cc(ncc1Br)CO AB66533 [1,1,0,0,0,0|0,0,2]=4 566 B9R1.1 c1cc(ncc1Br)CO PB18645 [1,1,0,0,0,0|0,0,2]=4 567 B9R1.1 c1cc(ncc1C=O)Br PB27654 [1,1,0,0,0,0|2,0,0]=4 568 B9R1.1 c1cc(ncc1C=O)Cl PB18586 [1,1,0,0,0,0|2,0,0]=4 569 B9R1.1 c1cc(ncc1C=O)F PB23560 [1,1,0,0,0,0|2,0,0]=4 570 B9R1.1 c1cc(ncc1C=O)N PB19003 [1,1,0,0,0,0|2,0,0]=4 571 B9R1.1 c1cc(ncc1Cl)C=O AB44880 [1,1,0,0,0,0|0,0,0]=2 572 B9R1.1 c1cc(ncc1Cl)CCl PB17759 [1,1,0,0,0,0|1,0,1]=4 573 B9R1.1 c1cc(ncc1Cl)CN AB60187 [1,1,0,0,0,0|1,0,1]=4 574 B9R1.1 c1cc(ncc1Cl)CO AB56068 [1,1,0,0,0,0|0,0,2]=4 575 B9R1.1 c1cc(ncc1F)C#N AB48767 [1,1,0,0,0,0|1,0,1]=4 576 B9R1.1 c1cc(ncc1F)C=O AB42648 [1,1,0,0,0,0|0,0,0]=2 577 B9R1.1 c1cc(ncc1F)CCl AB62501 [1,1,0,0,0,0|1,0,1]=4 578 B9R1.1 c1cc(ncc1F)CN AB60189 [1,1,0,0,0,0|1,0,1]=4 579 B9R1.1 c1cc(ncc1F)CO PB22210 [1,1,0,0,0,0|0,0,2]=4 580 B9R1.1 c1cc(ncc1I)C#N MB08761 [1,1,0,0,0,0|1,0,1]=4 581 B9R1.1 c1cc(ncc1N)C#N PB14307 [1,1,0,0,0,0|1,0,1]=4 582 B9R1.1 c1cc(ncc1N)C=O AB67740 [1,1,0,0,0,0|0,0,0]=2 583 B9R1.1 c1cc(ncc1N)CN AB23447 [1,1,0,0,0,0|1,0,1]=4 584 B9R1.1 c1cc(ncc1N)CO AB31872 [1,1,0,0,0,0|0,0,2]=4 585 B9R1.1 c1cc(ncc1O)C#N PB12442 [1,1,0,0,0,0|1,0,1]=4 586 B9R1.1 c1cc(ncc1O)C=O AB59867 [1,1,0,0,0,0|0,0,0]=2 587 B9R1.1 c1cc(ncc1O)CN MB14856 [1,1,0,0,0,0|1,0,1]=4 588 B9R1.1 c1cc(nnc1C=O)Cl PB13298 [1,1,0,0,0,0|1,0,0]=3 589 B9R1.2 C#Cc1cc(ccn1)Br AB68985 [1,1,0,0,0,0|0,0,2]=4 590 B9R1.2 C#Cc1cc(ccn1)Cl AB68983 [1,1,0,0,0,0|0,0,2]=4 591 B9R1.2 C#Cc1cccc(n1)Br AB68980 [1,1,0,0,0,0|0,0,2]=4 592 B9R1.2 C#Cc1cccc(n1)Cl AB68981 [1,1,0,0,0,0|0,0,2]=4 593 B9R1.2 C=Cc1cccc(n1)Br AB74634 [1,1,0,0,0,0|0,0,1]=3 594 B9R1.2 CCc1cc(ccn1)Br AB63995 [1,1,0,0,0,0|0,0,1]=3 595 B9R1.2 CCc1cc(ccn1)O MB11624 [1,1,0,0,0,0|0,0,1]=3 596 B9R1.2 CCc1cc(ncn1)Br MB09510 [1,1,0,0,0,0|1,0,1]=4 597 B9R1.2 CCc1cc(ncn1)Cl AB51253 [1,1,0,0,0,0|1,0,1]=4 598 B9R1.2 CCc1cc(ncn1)N AB54955 [1,1,0,0,0,0|1,0,1]=4 599 B9R1.2 CCc1cc(ncn1)O AB54953 [1,1,0,0,0,0|1,0,1]=4 600 B9R1.2 CCc1cccc(n1)Br MB10338 [1,1,0,0,0,0|0,0,1]=3 601 B9R1.2 CCc1nccc(n1)Cl AB51249 [1,1,0,0,0,0|1,0,1]=4 602 B9R1.2 CNc1cc(ccn1)Br MB07801 [1,1,0,0,0,0|1,0,0]=3 603 B9R1.2 CNc1cc(ccn1)O MB29569 [1,1,0,0,0,0|1,0,0]=3 604 B9R1.2 CNc1cc(ncn1)Br MB14299 [1,1,0,0,0,0|2,0,0]=4 605 B9R1.2 CNc1cc[nH]c(=O)n1 AB60627 [1,1,0,0,0,0|2,0,0]=4 606 B9R1.2 CNc1cccc(c1)O MB25493 [1,1,0,0,0,0|2,0,0]=4 607 B9R1.2 CNc1cccc(n1)Br AB50070 [1,1,0,0,0,0|1,0,0]=3 608 B9R1.2 CNc1cccc(n1)Cl AB05190 [1,1,0,0,0,0|1,0,0]=3 609 B9R1.2 CNc1ccnc(n1)Br MB14143 [1,1,0,0,0,0|2,0,0]=4 610 B9R1.2 CNc1ccnc(n1)Cl AB49666 [1,1,0,0,0,0|2,0,0]=4 611 B9R1.2 CNc1cncc(n1)Cl MB07975 [1,1,0,0,0,0|2,0,0]=4 612 B9R1.2 CNc1nccc(n1)Br MB13471 [1,1,0,0,0,0|2,0,0]=4 613 B9R1.2 CNc1nccc(n1)Cl AB52980 [1,1,0,0,0,0|2,0,0]=4 614 B9R1.2 COc1cc(ccn1)Br AB44876 [1,1,0,0,0,0|1,0,0]=3 615 B9R1.2 COc1cc(ccn1)Cl AB27571 [1,1,0,0,0,0|1,0,0]=3 616 B9R1.2 COc1cc(ccn1)F AB53299 [1,1,0,0,0,0|1,0,0]=3 617 B9R1.2 COc1cc(ccn1)I MB06098 [1,1,0,0,0,0|1,0,0]=3 618 B9R1.2 COc1cc(ccn1)N PB20942 [1,1,0,0,0,0|1,0,0]=3 619 B9R1.2 COc1cc(ccn1)O MB11972 [1,1,0,0,0,0|1,0,0]=3 620 B9R1.2 COc1cc(cnn1)N AB76247 [1,1,0,0,0,0|2,0,0]=4 621 B9R1.2 COc1cc(ncn1)Br MB14215 [1,1,0,0,0,0|2,0,0]=4 622 B9R1.2 COc1cc(ncn1)Cl AB23017 [1,1,0,0,0,0|2,0,0]=4 623 B9R1.2 COc1cc(ncn1)N PB30606 [1,1,0,0,0,0|2,0,0]=4 624 B9R1.2 COc1cccc(n1)Cl AB00671 [1,1,0,0,0,0|1,0,0]=3 625 B9R1.2 COc1cccc(n1)F AB55818 [1,1,0,0,0,0|1,0,0]=3 626 B9R1.2 COc1cccc(n1)I AB31101 [1,1,0,0,0,0|1,0,0]=3 627 B9R1.2 COc1cccc(n1)N AB21183 [1,1,0,0,0,0|1,0,0]=3 628 B9R1.2 COc1cccc(n1)O AB31854 [1,1,0,0,0,0|1,0,0]=3 629 B9R1.2 COc1ccnc(n1)Br MB07472 [1,1,0,0,0,0|2,0,0]=4 630 B9R1.2 COc1cncc(n1)Cl PB29367 [1,1,0,0,0,0|2,0,0]=4 631 B9R1.2 COc1cncc(n1)N AB54770 [1,1,0,0,0,0|2,0,0]=4 632 B9R1.2 COc1nccc(n1)Br AB54361 [1,1,0,0,0,0|2,0,0]=4 633 B9R1.2 COc1nccc(n1)Cl AB49109 [1,1,0,0,0,0|2,0,0]=4 634 B9R1.2 COc1nccc(n1)N PB29013 [1,1,0,0,0,0|2,0,0]=4 635 B9R1.2 CSc1[nH]c(=O)ccn1 PB24697 [1,1,0,0,0,0|2,0,0]=4 636 B9R1.2 CSc1cc(ccn1)Br MB09718 [1,1,0,0,0,0|1,0,0]=3 637 B9R1.2 CSc1cc(ccn1)O MB36936 [1,1,0,0,0,0|1,0,0]=3 638 B9R1.2 CSc1cc(ncn1)Br MB14195 [1,1,0,0,0,0|2,0,0]=4 639 B9R1.2 CSc1cccc(n1)Br MB07302 [1,1,0,0,0,0|1,0,0]=3 640 B9R1.2 CSc1ccnc(n1)Br MB14073 [1,1,0,0,0,0|2,0,0]=4 641 B9R1.2 CSc1nccc(n1)Br AB54070 [1,1,0,0,0,0|2,0,0]=4 642 B9R1.2 CSc1nccc(n1)Cl PB10012 [1,1,0,0,0,0|2,0,0]=4 643 B9R1.2 CSc1nccc(n1)I AB08843 [1,1,0,0,0,0|2,0,0]=4 644 B9R1.2 Cc1cc(ccn1)C=O AB24827 [1,1,0,0,0,0|2,0,0]=4 645 B9R1.2 Cc1cc(cnc1)C=O PB18860 [1,1,0,0,0,0|2,0,0]=4 646 B9R1.2 Cc1cccc(n1)C#N AB04512 [1,1,0,0,0,0|1,0,1]=4 647 B9R1.2 Cc1cccc(n1)C=O AB00683 [1,1,0,0,0,0|0,0,0]=2 648 B9R1.2 Cc1cccc(n1)CCl AB49651 [1,1,0,0,0,0|1,0,1]=4 649 B9R1.2 Cc1cccc(n1)CN AB22796 [1,1,0,0,0,0|1,0,1]=4 650 B9R1.2 Cc1cccc(n1)NC AB60602 [1,1,0,0,0,0|1,0,0]=3 651 B9R1.2 Cc1ccnc(c1)C#C AB66576 [1,1,0,0,0,0|0,0,2]=4 652 B9R1.2 Cc1ccnc(c1)C#N AB03610 [1,1,0,0,0,0|1,0,1]=4 653 B9R1.2 Cc1ccnc(c1)CCl AB42303 [1,1,0,0,0,0|1,0,1]=4 654 B9R1.2 Cc1ccnc(c1)CN AB23452 [1,1,0,0,0,0|1,0,1]=4 655 B9R1.2 Cc1ccnc(n1)C=O PB28177 [1,1,0,0,0,0|1,0,0]=3 656 B9R1.2 Cc1cncc(n1)C=O AB62637 [1,1,0,0,0,0|1,0,0]=3 657 B9R1.2 Cc1nccc(n1)C=O AB52721 [1,1,0,0,0,0|1,0,0]=3 658 B9R1.2 c1c(cncc1Br)C=O PB10234 [1,1,0,0,0,0|2,0,0]=4 659 B9R1.2 c1c(cncc1Cl)C=O PB29540 [1,1,0,0,0,0|2,0,0]=4 660 B9R1.2 c1c(cncc1F)C=O PB12469 [1,1,0,0,0,0|2,0,0]=4 661 B9R1.2 c1c(cncc1I)C=O AB45533 [1,1,0,0,0,0|2,0,0]=4 662 B9R1.2 c1c(cncc1N)C=O AB67741 [1,1,0,0,0,0|2,0,0]=4 663 B9R1.2 c1c(cncc1O)C=O AB67779 [1,1,0,0,0,0|2,0,0]=4 664 B9R1.2 c1c(nc(cn1)Cl)C=O PB16295 [1,1,0,0,0,0|1,0,0]=3 665 B9R1.2 c1c(ncnc1Cl)C=O AB58865 [1,1,0,0,0,0|1,0,0]=3 666 B9R1.2 c1c(ncnc1O)C=O AB58874 [1,1,0,0,0,0|1,0,0]=3 667 B9R1.2 c1cc(nc(c1)Br)C#N PB24633 [1,1,0,0,0,0|1,0,1]=4 668 B9R1.2 c1cc(nc(c1)Br)C=O PB27582 [1,1,0,0,0,0|0,0,0]=2 669 B9R1.2 c1cc(nc(c1)Br)CCl AB59969 [1,1,0,0,0,0|1,0,1]=4 670 B9R1.2 c1cc(nc(c1)Br)CCl AB59992 [1,1,0,0,0,0|1,0,1]=4 671 B9R1.2 c1cc(nc(c1)Br)CN AB31432 [1,1,0,0,0,0|1,0,1]=4 672 B9R1.2 c1cc(nc(c1)Br)CO PB29304 [1,1,0,0,0,0|0,0,2]=4 673 B9R1.2 c1cc(nc(c1)Br)NN AB51209 [1,1,0,0,0,0|2,0,0]=4 674 B9R1.2 c1cc(nc(c1)Cl)C#N AB05877 [1,1,0,0,0,0|1,0,1]=4 675 B9R1.2 c1cc(nc(c1)Cl)C=O AB52723 [1,1,0,0,0,0|0,0,0]=2 676 B9R1.2 c1cc(nc(c1)Cl)CCl AB42311 [1,1,0,0,0,0|1,0,1]=4 677 B9R1.2 c1cc(nc(c1)Cl)CN AB62988 [1,1,0,0,0,0|1,0,1]=4 678 B9R1.2 c1cc(nc(c1)Cl)CO AB42312 [1,1,0,0,0,0|0,0,2]=4 679 B9R1.2 c1cc(nc(c1)F)C#N AB50189 [1,1,0,0,0,0|1,0,1]=4 680 B9R1.2 c1cc(nc(c1)F)C=O AB13533 [1,1,0,0,0,0|0,0,0]=2 681 B9R1.2 c1cc(nc(c1)F)CCl AB42316 [1,1,0,0,0,0|1,0,1]=4 682 B9R1.2 c1cc(nc(c1)F)CN AB66365 [1,1,0,0,0,0|1,0,1]=4 683 B9R1.2 c1cc(nc(c1)I)CO AB42511 [1,1,0,0,0,0|0,0,2]=4 684 B9R1.2 c1cc(nc(c1)N)C#N AB62904 [1,1,0,0,0,0|1,0,1]=4 685 B9R1.2 c1cc(nc(c1)N)CO AB53761 [1,1,0,0,0,0|0,0,2]=4 686 B9R1.2 c1cc(nc(c1)O)C#N AB62925 [1,1,0,0,0,0|1,0,1]=4 687 B9R1.2 c1cnc(cc1Br)C#N PB29307 [1,1,0,0,0,0|1,0,1]=4 688 B9R1.2 c1cnc(cc1Br)C=O PB10584 [1,1,0,0,0,0|0,0,0]=2 689 B9R1.2 c1cnc(cc1Br)CCl AB67964 [1,1,0,0,0,0|1,0,1]=4 690 B9R1.2 c1cnc(cc1Br)CN PB17414 [1,1,0,0,0,0|1,0,1]=4 691 B9R1.2 c1cnc(cc1Br)CO PB31388 [1,1,0,0,0,0|0,0,2]=4 692 B9R1.2 c1cnc(cc1C=O)Br AB17326 [1,1,0,0,0,0|2,0,0]=4 693 B9R1.2 c1cnc(cc1C=O)Cl PB21899 [1,1,0,0,0,0|2,0,0]=4 694 B9R1.2 c1cnc(cc1C=O)F AB24818 [1,1,0,0,0,0|2,0,0]=4 695 B9R1.2 c1cnc(cc1Cl)C#N PB32398 [1,1,0,0,0,0|1,0,1]=4 696 B9R1.2 c1cnc(cc1Cl)C=O PB32513 [1,1,0,0,0,0|0,0,0]=2 697 B9R1.2 c1cnc(cc1Cl)CCl AB42295 [1,1,0,0,0,0|1,0,1]=4 698 B9R1.2 c1cnc(cc1Cl)CCl MB05829 [1,1,0,0,0,0|1,0,1]=4 699 B9R1.2 c1cnc(cc1Cl)CN PB27784 [1,1,0,0,0,0|1,0,1]=4 700 B9R1.2 c1cnc(cc1Cl)CO PB23493 [1,1,0,0,0,0|0,0,2]=4 701 B9R1.2 c1cnc(cc1F)C#N AB52749 [1,1,0,0,0,0|1,0,1]=4 702 B9R1.2 c1cnc(cc1F)C=O AB68024 [1,1,0,0,0,0|0,0,0]=2 703 B9R1.2 c1cnc(cc1F)CCl AB68051 [1,1,0,0,0,0|1,0,1]=4 704 B9R1.2 c1cnc(cc1F)CN AB65162 [1,1,0,0,0,0|1,0,1]=4 705 B9R1.2 c1cnc(cc1N)C#N PB10426 [1,1,0,0,0,0|1,0,1]=4 706 B9R1.2 c1cnc(cc1N)C=O AB68102 [1,1,0,0,0,0|0,0,0]=2 707 B9R1.2 c1cnc(cc1O)C#N MB05241 [1,1,0,0,0,0|1,0,1]=4 708 B9R1.2 c1cnc(cc1O)C=O AB68125 [1,1,0,0,0,0|0,0,0]=2 709 B9R1.2 c1cnc(cc1O)CN MB14853 [1,1,0,0,0,0|1,0,1]=4 710 B9R1.2 c1cnc(nc1C=O)Cl PB16282 [1,1,0,0,0,0|1,0,0]=3 711 B9R1.2 c1cnc(nc1Cl)C=O AB52774 [1,1,0,0,0,0|1,0,0]=3 712 B9R1.8 C#CCc1ccccn1 AB73234 [1,1,0,0,0,0|0,0,2]=4 713 B9R1.8 CNCc1ccccn1 AB10674 [1,1,0,0,0,0|0,0,1]=3 714 B9R1.8 CNCc1cnccn1 PB18749 [1,1,0,0,0,0|1,0,1]=4 715 B9R1.8 CNCc1ncccn1 PB29842 [1,1,0,0,0,0|1,0,1]=4 716 B9R1.8 c1cc(nnc1)CCN AB61130 [1,1,0,0,0,0|1,0,1]=4 717 B9R1.8 c1ccc(cc1)\C=C\Br AB00116 [1,1,0,0,0,0|1,0,1]=4 718 B9R1.8 c1ccc(cc1)\C=N/O AB02488 [1,1,0,0,0,0|1,0,1]=4 719 B9R1.8 c1ccnc(c1)CC#N AB00727 [1,1,0,0,0,0|0,0,2]=4 720 B9R1.8 c1ccnc(c1)CC=O AB61426 [1,1,0,0,0,0|0,0,0]=2 721 B9R1.8 c1ccnc(c1)CCN AB00732 [1,1,0,0,0,0|0,0,1]=3 722 B9R1.8 c1ccnc(c1)CNN PB19014 [1,1,0,0,0,0|1,0,1]=4 723 B9R1.8 c1cnc(cn1)CC=O AB57650 [1,1,0,0,0,0|1,0,0]=3 724 B9R1.8 c1cnc(cn1)CCN AB22666 [1,1,0,0,0,0|1,0,1]=4 725 B9R1.8 c1cnc(cn1)\C=N\O AB84941 [1,1,0,0,0,0|1,0,1]=4 726 B9R1.8 c1cnc(nc1)CC=O AB57641 [1,1,0,0,0,0|1,0,0]=3 727 B9R1.8 c1cnc(nc1)CCN AB55156 [1,1,0,0,0,0|1,0,1]=4 728 B9R1.8 c1cncnc1CC=O AB57648 [1,1,0,0,0,0|1,0,0]=3 729 B9R1.8 c1cncnc1CCN PB14818 [1,1,0,0,0,0|1,0,1]=4 730 B9R1.15 CCc1c(cccn1)Br AB68544 [1,1,0,0,0,0|0,0,1]=3 731 B9R1.15 CCc1c(cccn1)O MB01433 [1,1,0,0,0,0|0,0,1]=3 732 B9R1.15 CCc1c(cncn1)F PB21906 [1,1,0,0,0,0|1,0,1]=4 733 B9R1.15 CNc1c(nccn1)Cl MB13992 [1,1,0,0,0,0|2,0,0]=4 734 B9R1.15 COc1c(cccn1)Br PB20024 [1,1,0,0,0,0|1,0,0]=3 735 B9R1.15 COc1c(cccn1)Cl AB13603 [1,1,0,0,0,0|1,0,0]=3 736 B9R1.15 COc1c(cccn1)F AB13397 [1,1,0,0,0,0|1,0,0]=3 737 B9R1.15 COc1c(cccn1)I AB13400 [1,1,0,0,0,0|1,0,0]=3 738 B9R1.15 COc1c(cccn1)N AB07386 [1,1,0,0,0,0|1,0,0]=3 739 B9R1.15 COc1c(cccn1)O AB06074 [1,1,0,0,0,0|1,0,0]=3 740 B9R1.15 COc1c(nccn1)Cl MB02506 [1,1,0,0,0,0|2,0,0]=4 741 B9R1.15 COc1c(nccn1)N AB22450 [1,1,0,0,0,0|2,0,0]=4 742 B9R1.15 CSc1c(cccn1)O MB01598 [1,1,0,0,0,0|1,0,0]=3 743 B9R1.15 Cc1c(cccn1)C=O PB27878 [1,1,0,0,0,0|2,0,0]=4 744 B9R1.15 Cc1c(nccn1)C=O PB13166 [1,1,0,0,0,0|1,0,0]=3 745 B9R1.15 Cc1cccnc1C=O PB14292 [1,1,0,0,0,0|0,0,0]=2 746 B9R1.15 Cc1cccnc1CCl PB32645 [1,1,0,0,0,0|1,0,1]=4 747 B9R1.15 Cc1cccnc1CN AB20671 [1,1,0,0,0,0|1,0,1]=4 748 B9R1.15 Cc1cccnc1CO AB12590 [1,1,0,0,0,0|0,0,2]=4 749 B9R1.15 Cc1cccnc1OC AB31414 [1,1,0,0,0,0|1,0,0]=3 750 B9R1.15 Cc1ccncc1C=O PB23498 [1,1,0,0,0,0|2,0,0]=4 751 B9R1.15 Cc1cnccc1C=O AB11481 [1,1,0,0,0,0|2,0,0]=4 752 B9R1.15 c1cc(c(nc1)Br)C=O AB20862 [1,1,0,0,0,0|2,0,0]=4 753 B9R1.15 c1cc(c(nc1)C#N)Br PB24769 [1,1,0,0,0,0|1,0,1]=4 754 B9R1.15 c1cc(c(nc1)C#N)Cl PB17324 [1,1,0,0,0,0|1,0,1]=4 755 B9R1.15 c1cc(c(nc1)C#N)F PB17393 [1,1,0,0,0,0|1,0,1]=4 756 B9R1.15 c1cc(c(nc1)C#N)N PB18562 [1,1,0,0,0,0|1,0,1]=4 757 B9R1.15 c1cc(c(nc1)C=O)Br AB42598 [1,1,0,0,0,0|0,0,0]=2 758 B9R1.15 c1cc(c(nc1)C=O)F PB22063 [1,1,0,0,0,0|0,0,0]=2 759 B9R1.15 c1cc(c(nc1)C=O)N AB42378 [1,1,0,0,0,0|0,0,0]=2 760 B9R1.15 c1cc(c(nc1)C=O)O PB12355 [1,1,0,0,0,0|0,0,0]=2 761 B9R1.15 c1cc(c(nc1)CBr)F PB10918 [1,1,0,0,0,0|1,0,1]=4 762 B9R1.15 c1cc(c(nc1)CCl)Br AB67649 [1,1,0,0,0,0|1,0,1]=4 763 B9R1.15 c1cc(c(nc1)CCl)Cl AB60061 [1,1,0,0,0,0|1,0,1]=4 764 B9R1.15 c1cc(c(nc1)CCl)F PB14946 [1,1,0,0,0,0|1,0,1]=4 765 B9R1.15 c1cc(c(nc1)CCl)N AB31890 [1,1,0,0,0,0|1,0,1]=4 766 B9R1.15 c1cc(c(nc1)CN)Br AB67637 [1,1,0,0,0,0|1,0,1]=4 767 B9R1.15 c1cc(c(nc1)CN)Cl PB26156 [1,1,0,0,0,0|1,0,1]=4 768 B9R1.15 c1cc(c(nc1)CN)F AB55320 [1,1,0,0,0,0|1,0,1]=4 769 B9R1.15 c1cc(c(nc1)CN)F PB13118 [1,1,0,0,0,0|1,0,1]=4 770 B9R1.15 c1cc(c(nc1)CN)N AB48448 [1,1,0,0,0,0|1,0,1]=4 771 B9R1.15 c1cc(c(nc1)CN)O MB01728 [1,1,0,0,0,0|1,0,1]=4 772 B9R1.15 c1cc(c(nc1)CO)Cl AB63515 [1,1,0,0,0,0|0,0,2]=4 773 B9R1.15 c1cc(c(nc1)CO)F PB22208 [1,1,0,0,0,0|0,0,2]=4 774 B9R1.15 c1cc(c(nc1)CO)N AB31896 [1,1,0,0,0,0|0,0,2]=4 775 B9R1.15 c1cc(c(nc1)CO)O MB00702 [1,1,0,0,0,0|0,0,2]=4 776 B9R1.15 c1cc(c(nc1)Cl)C=O PB27532 [1,1,0,0,0,0|2,0,0]=4 777 B9R1.15 c1cc(c(nc1)F)C=O AB13640 [1,1,0,0,0,0|2,0,0]=4 778 B9R1.15 c1cc(c(nc1)N)C=O AB09963 [1,1,0,0,0,0|2,0,0]=4 779 B9R1.15 c1cc(c(nc1)NN)Br MB01287 [1,1,0,0,0,0|2,0,0]=4 780 B9R1.15 c1cc(c(nc1)O)C=O AB55041 [1,1,0,0,0,0|2,0,0]=4 781 B9R1.15 c1ccc(c(c1)C=O)I PB15618 [1,1,0,0,0,0|1,0,0]=3 782 B9R1.15 c1cnc(c(n1)C=O)Cl AB32644 [1,1,0,0,0,0|1,0,0]=3 783 B9R1.15 c1cnc(c(n1)C=O)N PB10822 [1,1,0,0,0,0|1,0,0]=3 784 B9R1.15 c1cncc(c1Br)C=O AB25683 [1,1,0,0,0,0|2,0,0]=4 785 B9R1.15 c1cncc(c1Br)C=O AB53933 [1,1,0,0,0,0|2,0,0]=4 786 B9R1.15 c1cncc(c1C=O)Br PB17335 [1,1,0,0,0,0|2,0,0]=4 787 B9R1.15 c1cncc(c1C=O)Cl AB23043 [1,1,0,0,0,0|2,0,0]=4 788 B9R1.15 c1cncc(c1C=O)F PB32422 [1,1,0,0,0,0|2,0,0]=4 789 B9R1.15 c1cncc(c1C=O)N PB20170 [1,1,0,0,0,0|2,0,0]=4 790 B9R1.15 c1cncc(c1C=O)O AB08714 [1,1,0,0,0,0|2,0,0]=4 791 B9R1.15 c1cncc(c1Cl)C=O AB17590 [1,1,0,0,0,0|2,0,0]=4 792 B9R1.15 c1cncc(c1F)C=O AB32109 [1,1,0,0,0,0|2,0,0]=4 793 B9R1.15 c1cncc(c1N)C=O AB12471 [1,1,0,0,0,0|2,0,0]=4 794 B9R1.15 c1cncc(c1N)C=O PB27639 [1,1,0,0,0,0|2,0,0]=4 795 B9R1.15 c1cncc(c1O)C=O AB59870 [1,1,0,0,0,0|2,0,0]=4 796 B9R1.15 c1nc(c(nn1)Cl)C=O AB72441 [1,1,0,0,0,0|2,0,0]=4 797 B9R1.11 COC(=O)C1=CN=CC1 AB07842 [0,1,0,0,1,0|1,0,1]=4 798 B9R1.11 COC(=O)C1=NC=NC1 PB18686 [0,1,0,0,1,0|1,0,1]=4 799 B9R1.11 COC(=O)C1=NN=CC1 PB10159 [0,1,0,0,1,0|1,0,1]=4 800 B9R1.11 COC(=O)c1[nH]ccn1 PB18713 [0,1,0,0,1,0|1,0,0]=3 801 B9R1.11 COC(=O)c1ccsc1 PB18711 [0,1,0,0,1,0|1,0,0]=3 802 B9R1.11 COC(=O)c1cncs1 AB16044 [0,1,0,0,1,0|2,0,0]=4 803 B9R1.11 COC(=O)c1cnoc1 AB39248 [0,1,0,0,1,0|2,0,0]=4 804 B9R1.11 COC(=O)c1cscn1 AB25133 [0,1,0,0,1,0|1,0,0]=3 805 B9R1.11 COC(=O)c1ncco1 AB42108 [0,1,0,0,1,0|1,0,0]=3 806 B9R1.11 C\C(=N/O)\c1ccsc1 AB55504 [0,1,0,0,1,0|1,0,1]=4 807 B9R1.11 c1c(nco1)C(=O)NN AB28148 [0,1,0,0,1,0|2,0,0]=4 808 B9R1.11 c1c(ncs1)C(=O)NN AB06544 [0,1,0,0,1,0|2,0,0]=4 809 B9R1.11 c1cc(oc1)C(=O)C=O AB04785 [0,1,0,0,1,0|1,0,1]=4 810 B9R1.11 c1cc(oc1)C(=O)C=O AB49990 [0,1,0,0,1,0|1,0,1]=4 811 B9R1.11 c1cc(sc1)C(=O)C=O AB48645 [0,1,0,0,1,0|1,0,1]=4 812 B9R1.11 c1cc(sc1)C(=O)O[Cu] AB11500 [0,1,0,0,1,0|2,0,0]=4 813 B9R1.11 c1coc(n1)C(=O)NN AB19281 [0,1,0,0,1,0|2,0,0]=4 814 B9R1.11 c1cocc1C(=O)NN MB02283 [0,1,0,0,1,0|2,0,0]=4 815 B9R1.11 c1conc1C(=O)NN AB28024 [0,1,0,0,1,0|2,0,0]=4 816 B9R1.11 c1csc(n1)C(=O)NN AB09732 [0,1,0,0,1,0|2,0,0]=4 817 B9R1.11 c1cscc1C(=O)NN MB01758 [0,1,0,0,1,0|2,0,0]=4 818 B9R1.19 CS(=O)(=O)c1cccs1 PB14102 [0,1,0,0,1,0|2,0,0]=4 819 B9R1.35 C1=C(N=CC1N)C(=O)O AB43641 [0,1,0,0,1,0|1,0,1]=4 820 B9R1.35 C1=NC(=O)N=C1C(=O)O AB09197 [0,1,0,0,1,0|2,0,0]=4 821 B9R1.35 C1C=C(N=C1Br)C(=O)N PB34419 [0,1,0,0,1,0|1,0,1]=4 822 B9R1.35 C1C=C(N=C1Br)C(=O)O MB19809 [0,1,0,0,1,0|1,0,1]=4 823 B9R1.35 CC(=O)C1=NC(=NC1)N AB58081 [0,1,0,0,1,0|1,0,1]=4 824 B9R1.35 CC(=O)C1=NC(=NC1)O AB58085 [0,1,0,0,1,0|1,0,1]=4 825 B9R1.35 CC(=O)C1=NC=C(C1)Cl AB52884 [0,1,0,0,1,0|0,0,1]=3 826 B9R1.35 CC(=O)c1cc(cs1)Cl PB13009 [0,1,0,0,1,0|1,0,0]=3 827 B9R1.35 CC(=O)c1cc(sc1)Br AB71462 [0,1,0,0,1,0|1,0,0]=3 828 B9R1.35 CC(=O)c1cc(sc1)Cl PB18443 [0,1,0,0,1,0|1,0,0]=3 829 B9R1.35 CC(=O)c1ccc(o1)Br AB25597 [0,1,0,0,1,0|1,0,0]=3 830 B9R1.35 CC(=O)c1ccc(s1)Br PB24550 [0,1,0,0,1,0|1,0,0]=3 831 B9R1.35 CC(=O)c1ccc(s1)Cl PB11578 [0,1,0,0,1,0|1,0,0]=3 832 B9R1.35 CC(=O)c1cnc(o1)N AB54806 [0,1,0,0,1,0|2,0,0]=4 833 B9R1.35 CC(=O)c1cnc(s1)Br AB69536 [0,1,0,0,1,0|2,0,0]=4 834 B9R1.35 CC(=O)c1cnc(s1)N AB07075 [0,1,0,0,1,0|2,0,0]=4 835 B9R1.35 CC(=O)c1coc(n1)Cl AB77007 [0,1,0,0,1,0|1,0,0]=3 836 B9R1.35 CC(=O)c1nc(cs1)Br AB59795 [0,1,0,0,1,0|1,0,0]=3 837 B9R1.35 CC(=O)c1ncc(s1)Br PB19039 [0,1,0,0,1,0|1,0,0]=3 838 B9R1.35 CC(=O)c1ncc(s1)Cl PB35653 [0,1,0,0,1,0|1,0,0]=3 839 B9R1.35 Cc1[nH]c(cn1)C(=O)C AB51549 [0,1,0,0,1,0|1,0,1]=4 840 B9R1.35 Cc1cc(cs1)C(=O)O PB14265 [0,1,0,0,1,0|2,0,0]=4 841 B9R1.35 Cc1cc(no1)C(=O)O CB10494 [0,1,0,0,1,0|2,0,0]=4 842 B9R1.35 Cc1cc(sc1)C(=O)O PB14117 [0,1,0,0,1,0|2,0,0]=4 843 B9R1.35 Cc1ccc(s1)C(=O)C AB01148 [0,1,0,0,1,0|1,0,0]=3 844 B9R1.35 Cc1ccc(s1)C(=O)O AB00425 [0,1,0,0,1,0|2,0,0]=4 845 B9R1.35 Cc1cnc(o1)C(=O)O AB53258 [0,1,0,0,1,0|2,0,0]=4 846 B9R1.35 Cc1cnc(s1)C(=O)O AB43204 [0,1,0,0,1,0|2,0,0]=4 847 B9R1.35 Cc1coc(n1)C(=O)O PB31618 [0,1,0,0,1,0|2,0,0]=4 848 B9R1.35 Cc1csc(n1)C(=O)C AB32246 [0,1,0,0,1,0|1,0,0]=3 849 B9R1.35 Cc1csc(n1)C(=O)O PB26270 [0,1,0,0,1,0|2,0,0]=4 850 B9R1.35 Cc1nc(co1)C(=O)O AB05124 [0,1,0,0,1,0|2,0,0]=4 851 B9R1.35 Cc1nc(cs1)C(=O)O AB14027 [0,1,0,0,1,0|2,0,0]=4 852 B9R1.35 Cn1cc(nc1)C(=O)O PB21172 [0,1,0,0,1,0|2,0,0]=4 853 B9R1.35 Cn1ccc(n1)C(=O)O PB29090 [0,1,0,0,1,0|2,0,0]=4 854 B9R1.35 c1c(coc1Br)C(=O)O AB45895 [0,1,0,0,1,0|2,0,0]=4 855 B9R1.35 c1c(coc1C(=O)N)Br AB65725 [0,1,0,0,1,0|2,0,0]=4 856 B9R1.35 c1c(coc1C(=O)O)Br AB03318 [0,1,0,0,1,0|2,0,0]=4 857 B9R1.35 c1c(csc1Br)C(=O)O PB20302 [0,1,0,0,1,0|2,0,0]=4 858 B9R1.35 c1c(csc1C(=O)N)Br AB53759 [0,1,0,0,1,0|2,0,0]=4 859 B9R1.35 c1c(csc1C(=O)O)Br PB29256 [0,1,0,0,1,0|2,0,0]=4 860 B9R1.35 c1c(csc1C(=O)O)Cl PB25964 [0,1,0,0,1,0|2,0,0]=4 861 B9R1.35 c1c(csc1Cl)C(=O)N AB09992 [0,1,0,0,1,0|2,0,0]=4 862 B9R1.35 c1c(csc1Cl)C(=O)O PB17106 [0,1,0,0,1,0|2,0,0]=4 863 B9R1.35 c1c(csc1F)C(=O)O PB18609 [0,1,0,0,1,0|2,0,0]=4 864 B9R1.35 c1c(nc(o1)Br)C(=O)O PB14959 [0,1,0,0,1,0|2,0,0]=4 865 B9R1.35 c1c(nc(o1)C(=O)O)Br AB59761 [0,1,0,0,1,0|2,0,0]=4 866 B9R1.35 c1c(nc(o1)Cl)C(=O)O PB20528 [0,1,0,0,1,0|2,0,0]=4 867 B9R1.35 c1c(nc(o1)N)C(=O)O PB31410 [0,1,0,0,1,0|2,0,0]=4 868 B9R1.35 c1c(nc(s1)Br)C(=O)N MB10372 [0,1,0,0,1,0|2,0,0]=4 869 B9R1.35 c1c(nc(s1)Br)C(=O)O AB20482 [0,1,0,0,1,0|2,0,0]=4 870 B9R1.35 c1c(nc(s1)C(=O)N)Br AB65719 [0,1,0,0,1,0|2,0,0]=4 871 B9R1.35 c1c(nc(s1)C(=O)O)Br PB32743 [0,1,0,0,1,0|2,0,0]=4 872 B9R1.35 c1c(nc(s1)Cl)C(=O)O CB11341 [0,1,0,0,1,0|2,0,0]=4 873 B9R1.35 c1c(nc(s1)N)C(=O)O AB07466 [0,1,0,0,1,0|2,0,0]=4 874 B9R1.35 c1c(sc(n1)C(=O)N)Br MB14267 [0,1,0,0,1,0|2,0,0]=4 875 B9R1.35 c1c(sc(n1)C(=O)O)Br PB31583 [0,1,0,0,1,0|2,0,0]=4 876 B9R1.35 c1c(sc(n1)C(=O)O)Cl PB26550 [0,1,0,0,1,0|2,0,0]=4 877 B9R1.35 c1c(sc(n1)C(=O)O)N PB33442 [0,1,0,0,1,0|2,0,0]=4 878 B9R1.35 c1c(sc(n1)C(=O)O)N PB37974 [0,1,0,0,1,0|2,0,0]=4 879 B9R1.35 c1cc(sc1C(=O)Cl)Cl AB01959 [0,1,0,0,1,0|2,0,0]=4 880 B9R1.35 c1cc(sc1C(=O)O)Br PB21666 [0,1,0,0,1,0|2,0,0]=4 881 B9R1.35 c1cc(sc1C(=O)O)Cl PB12047 [0,1,0,0,1,0|2,0,0]=4 882 B9R1.35 c1cc(sc1C(=O)O)F PB22097 [0,1,0,0,1,0|2,0,0]=4 883 B9R1.35 c1cc(sc1C(=O)O)N MB07244 [0,1,0,0,1,0|2,0,0]=4 884 B9R1.41 C1C=C(C(=N1)C(=O)O)N AB14781 [0,1,0,0,1,0|1,0,1]=4 885 B9R1.41 CC(=O)C1=NC=CC1N AB66021 [0,1,0,0,1,0|0,0,1]=3 886 B9R1.41 CC(=O)c1c(ccs1)Br AB07140 [0,1,0,0,1,0|1,0,0]=3 887 B9R1.41 CC(=O)c1c(ccs1)N AB02201 [0,1,0,0,1,0|1,0,0]=3 888 B9R1.41 CC(=O)c1ccsc1Cl AB72529 [0,1,0,0,1,0|1,0,0]=3 889 B9R1.41 CC(=O)c1ccsc1N AB71423 [0,1,0,0,1,0|1,0,0]=3 890 B9R1.41 CC(=O)c1nccn1C PB12530 [0,1,0,0,1,0|1,0,0]=3 891 B9R1.41 CC1=C(C=NC1)C(=O)C AB03448 [0,1,0,0,1,0|1,0,1]=4 892 B9R1.41 Cc1c(ccs1)C(=O)O AB10003 [0,1,0,0,1,0|2,0,0]=4 893 B9R1.41 Cc1c(ncs1)C(=O)O AB27941 [0,1,0,0,1,0|2,0,0]=4 894 B9R1.41 Cc1ccoc1C(=O)O AB01137 [0,1,0,0,1,0|2,0,0]=4 895 B9R1.41 Cc1ccsc1C(=O)O AB00421 [0,1,0,0,1,0|2,0,0]=4 896 B9R1.41 Cn1cccc1C(=O)O CB10008 [0,1,0,0,1,0|1,0,1]=4 897 B9R1.41 Cn1ccnc1C(=O)O PB21787 [0,1,0,0,1,0|2,0,0]=4 898 B9R1.41 c1[nH]c(c(n1)C(=O)O)N AB54857 [0,1,0,0,1,0|2,0,0]=4 899 B9R1.41 c1c(c(cs1)Br)C(=O)O PB14213 [0,1,0,0,1,0|2,0,0]=4 900 B9R1.41 c1cc(n(c1)N)C(=O)N PB26616 [0,1,0,0,1,0|1,0,1]=4 901 B9R1.41 c1coc(c1Br)C(=O)O AB03324 [0,1,0,0,1,0|2,0,0]=4 902 B9R1.41 c1coc(c1I)C(=O)O AB85068 [0,1,0,0,1,0|2,0,0]=4 903 B9R1.41 c1csc(c1Br)C(=O)O PB25929 [0,1,0,0,1,0|2,0,0]=4 904 B9R1.41 c1csc(c1Cl)C(=O)O PB10064 [0,1,0,0,1,0|2,0,0]=4 905 B9R1.41 c1csc(c1N)C(=O)N AB02202 [0,1,0,0,1,0|2,0,0]=4 906 B9R1.41 c1csc(c1N)C(=O)O AB14784 [0,1,0,0,1,0|2,0,0]=4 907 B11R1.20 CC(=O)Nc1ccc(cn1)I AB08522 [0,1,0,0,0,1|0,0,0]=2 908 B11R1.20 CC(=O)Nc1ccc(cn1)N AB04216 [0,1,0,0,0,1|0,0,0]=2 909 B11R1.20 CC(=O)Nc1ccc(nc1)Br AB30811 [0,1,0,0,0,1|2,0,0]=4 910 B11R1.20 CC(=O)Nc1cnc(cn1)Br MB14371 [0,1,0,0,0,1|1,0,0]=3 911 B11R1.20 CC(=O)Nc1ncc(cn1)Br MB11994 [0,1,0,0,0,1|1,0,0]=3 912 B11R1.20 CC(=O)Oc1ccc(cc1)Cl AB06566 [0,1,0,0,0,1|1,0,0]=3 913 B11R1.20 CC(=O)Oc1cnc(cn1)Br MB14264 [0,1,0,0,0,1|1,0,0]=3 914 B11R1.20 CC(=O)Oc1ncc(cn1)Br MB14266 [0,1,0,0,0,1|1,0,0]=3 915 B11R1.20 CC(C)Oc1ccc(cn1)Br MB04495 [0,1,0,0,0,1|1,0,1]=4 916 B11R1.20 CC(C)Oc1ccc(cn1)N AB40632 [0,1,0,0,0,1|1,0,1]=4 917 B11R1.20 CC(C)Oc1ccc(cn1)O MB23136 [0,1,0,0,0,1|1,0,1]=4 918 B11R1.20 Cc1ccc(nc1)CC(=O)O AB55198 [0,1,0,0,0,1|1,0,0]=3 919 B11R1.20 Cc1cnc(cn1)CC(=O)O AB69910 [0,1,0,0,0,1|2,0,0]=4 920 B11R1.20 c1c(cnc(n1)CC(=O)O)Br PB16211 [0,1,0,0,0,1|2,0,0]=4 921 B11R1.20 c1c(cnc(n1)CC(=O)O)Cl AB59161 [0,1,0,0,0,1|2,0,0]=4 922 B11R1.20 c1c(cnc(n1)CC(=O)O)F AB68737 [0,1,0,0,0,1|2,0,0]=4 923 B11R1.20 c1c(ncc(n1)Cl)CC(=O)O AB69911 [0,1,0,0,0,1|2,0,0]=4 924 B11R1.20 c1cc(ccc1CC(=O)O)Br AB00367 [0,1,0,0,0,1|2,0,0]=4 925 B11R1.20 c1cc(ncc1Br)CC(=O)O PB31471 [0,1,0,0,0,1|1,0,0]=3 926 B11R1.20 c1cc(ncc1F)CC(=O)O AB55200 [0,1,0,0,0,1|1,0,0]=3 927 B11R1.20 c1cc(ncc1I)CC(=O)O PB21451 [0,1,0,0,0,1|1,0,0]=3 928 B11R1.20 c1cc(ncc1N)NC(=N)N AB31874 [0,1,0,0,0,1|2,0,0]=4 929 B11R1.36 c1ccc(cc1)[C@@H](C(=O)O)N AB02597 [0,1,0,0,0,1|2,0,0]=4 930 B11R1.36 c1ccc(cc1)[C@H](C(=O)O)N AB00920 [0,1,0,0,0,1|2,0,0]=4 931 B11R1.36 c1ccnc(c1)C(C(=O)O)N AB21618 [0,1,0,0,0,1|1,0,0]=3 932 B11R1.36 c1ccnc(c1)[C@@H](C(=O)O)N AB30492 [0,1,0,0,0,1|1,0,0]=3 933 B11R1.36 c1ccnc(c1)[C@H](C(=O)O)N AB33283 [0,1,0,0,0,1|1,0,0]=3 934 B11R1.36 c1cnc(cn1)C(C(=O)O)N AB21620 [0,1,0,0,0,1|2,0,0]=4 935 B11R1.40 COC(=N)Cc1ccccc1 AB01554 [0,1,0,0,0,1|2,0,0]=4 936 B11R1.40 COC(=O)Cc1ccccn1 PB18397 [0,1,0,0,0,1|0,0,0]=2 937 B11R1.40 COC(=O)Cc1cccnc1 PB30559 [0,1,0,0,0,1|2,0,0]=4 938 B11R1.40 COC(=O)Cc1cccnn1 PB10290 [0,1,0,0,0,1|1,0,0]=3 939 B11R1.40 COC(=O)Cc1ccncc1 PB12720 [0,1,0,0,0,1|2,0,0]=4 940 B11R1.40 COC(=O)Cc1ccncn1 PB21336 [0,1,0,0,0,1|1,0,0]=3 941 B11R1.40 COC(=O)Cc1cnccn1 PB20098 [0,1,0,0,0,1|1,0,0]=3 942 B11R1.40 c1ccc(cc1)CC(=O)C=O AB50241 [0,1,0,0,0,1|1,0,1]=4 943 B11R1.86 CC(=O)Nc1ccccc1O AB00212 [0,1,0,0,0,1|1,0,0]=3 944 B11R1.86 CC(=O)Nc1cccnc1Br MB03384 [0,1,0,0,0,1|2,0,0]=4 945 B11R1.86 CC(=O)Nc1cnccc1N MB08841 [0,1,0,0,0,1|2,0,0]=4 946 B11R1.86 CC(C)Oc1c(cccn1)I AB25867 [0,1,0,0,0,1|1,0,1]=4 947 B11R1.86 CC(C)Oc1c(cccn1)O MB23249 [0,1,0,0,0,1|1,0,1]=4 948 B11R1.86 c1cc(c(nc1)CC(=O)O)Br PB17731 [0,1,0,0,0,1|1,0,0]=3 949 B11R1.86 c1cc(c(nc1)CC(=O)O)F AB55219 [0,1,0,0,0,1|1,0,0]=3 950 B11R1.86 c1ccc(c(c1)CC(=O)Cl)F AB16515 [0,1,0,0,0,1|2,0,0]=4 951 B11R1.86 c1ccc(c(c1)CC(=O)N)N AB26281 [0,1,0,0,0,1|2,0,0]=4 952 B11R1.86 c1ccc(c(c1)CC(=O)O)N AB15776 [0,1,0,0,0,1|2,0,0]=4 953 B11R1.86 c1ccc(c(c1)NC(=O)N)Br CB10141 [0,1,0,0,0,1|2,0,0]=4 954 B11R1.86 c1cnc(c(n1)CC(=O)O)Cl PB36328 [0,1,0,0,0,1|2,0,0]=4 955 B11R1.157 CC(=O)Nc1cc(cnc1)Br MB13418 [0,1,0,0,0,1|2,0,0]=4 956 B11R1.157 CC(=O)Nc1cc(ncn1)Br MB14383 [0,1,0,0,0,1|1,0,0]=3 957 B11R1.157 CC(=O)Nc1cc(ncn1)N PB23255 [0,1,0,0,0,1|1,0,0]=3 958 B11R1.157 CC(=O)Nc1cccc(c1)O AB00216 [0,1,0,0,0,1|1,0,0]=3 959 B11R1.157 CC(=O)Nc1cccc(n1)Br MB01012 [0,1,0,0,0,1|0,0,0]=2 960 B11R1.157 CC(=O)Nc1ccnc(c1)Br MB14356 [0,1,0,0,0,1|2,0,0]=4 961 B11R1.157 CC(=O)Nc1ccnc(n1)Br MB14361 [0,1,0,0,0,1|1,0,0]=3 962 B11R1.157 CC(=O)Nc1nccc(n1)Br MB14364 [0,1,0,0,0,1|1,0,0]=3 963 B11R1.157 CC(=O)Oc1cc(ncn1)Br MB14313 [0,1,0,0,0,1|1,0,0]=3 964 B11R1.157 CC(=O)Oc1cncc(n1)Br MB14303 [0,1,0,0,0,1|1,0,0]=3 965 B11R1.157 CC(=O)Oc1nccc(n1)Br MB14223 [0,1,0,0,0,1|1,0,0]=3 966 B11R1.157 CC(C)Nc1cc(ccn1)Br MB13934 [0,1,0,0,0,1|1,0,1]=4 967 B11R1.157 CC(C)Oc1cc(ccn1)Br MB10313 [0,1,0,0,0,1|1,0,1]=4 968 B11R1.157 CC(C)Oc1cc(ccn1)O MB23248 [0,1,0,0,0,1|1,0,1]=4 969 B11R1.157 CC(C)Oc1cccc(n1)Br AB54102 [0,1,0,0,0,1|1,0,1]=4 970 B11R1.157 Cc1cc(ccn1)NC(=O)C AB53272 [0,1,0,0,0,1|2,0,0]=4 971 B11R1.157 Cc1cccc(c1)NC(=O)C AB01179 [0,1,0,0,0,1|1,0,0]=3 972 B11R1.157 Cc1ccnc(c1)NC(=O)C AB05238 [0,1,0,0,0,1|0,0,0]=2 973 B11R1.157 Cc1ccnc(n1)CC(=O)O AB59182 [0,1,0,0,0,1|2,0,0]=4 974 B11R1.157 c1cc(cc(c1)Br)CC(=O)N AB42612 [0,1,0,0,0,1|2,0,0]=4 975 B11R1.157 c1cc(cc(c1)Br)CC(=O)O AB00359 [0,1,0,0,0,1|2,0,0]=4 976 B11R1.157 c1cc(cc(c1)Cl)CC(=O)O AB00363 [0,1,0,0,0,1|2,0,0]=4 977 B11R1.157 c1cc(cc(c1)F)CC(=O)O AB00361 [0,1,0,0,0,1|2,0,0]=4 978 B11R1.157 c1cc(nc(c1)Br)CC(=O)O CB11432 [0,1,0,0,0,1|1,0,0]=3 979 B11R1.157 c1cc(nc(c1)F)CC(=O)O AB55215 [0,1,0,0,0,1|1,0,0]=3 980 B11R1.157 c1cnc(nc1Br)CC(=O)O AB59073 [0,1,0,0,0,1|2,0,0]=4 981 B11R1.509 CC(C)(Cc1ccccn1)N AB76319 [0,1,0,0,0,1|1,0,1]=4 982 B11R1.509 c1ccnc(c1)CS(=O)(=O)Cl AB21747 [0,1,0,0,0,1|2,0,0]=4 983 B11R1.3 B(=O)c1ccc(cc1)C(=O)Cl AB30049 [0,2,0,0,0,0|2,0,0]=4 984 B11R1.3 CC(=O)c1ccc(cc1)C#C AB21444 [0,2,0,0,0,0|1,0,0]=3 985 B11R1.3 CC(=O)c1ccc(cn1)C#N AB67713 [0,2,0,0,0,0|0,0,0]=2 986 B11R1.3 CC(=O)c1ccc(cn1)OC PB14835 [0,2,0,0,0,0|0,0,0]=2 987 B11R1.3 CC(=O)c1ccc(nc1)C#N AB25372 [0,2,0,0,0,0|2,0,0]=4 988 B11R1.3 CC(=O)c1ccc(nc1)OC AB22367 [0,2,0,0,0,0|2,0,0]=4 989 B11R1.3 CC(=O)c1ccc(nn1)OC AB70140 [0,2,0,0,0,0|1,0,0]=3 990 B11R1.3 CC(=O)c1cnc(cn1)OC AB69890 [0,2,0,0,0,0|1,0,0]=3 991 B11R1.3 CN(C)c1ccc(cn1)C#C AB69048 [0,2,0,0,0,0|2,0,0]=4 992 B11R1.3 CN(C)c1ccc(cn1)C#N AB44360 [0,2,0,0,0,0|2,0,0]=4 993 B11R1.3 CN(C)c1ccc(cn1)C=O AB44362 [0,2,0,0,0,0|2,0,0]=4 994 B11R1.3 CN(C)c1ccc(cn1)CN AB44372 [0,2,0,0,0,0|2,0,0]=4 995 B11R1.3 CN(C)c1ccc(cn1)CO AB44151 [0,2,0,0,0,0|2,0,0]=4 996 B11R1.3 COc1ccc(cc1)C(=O)N AB00908 [0,2,0,0,0,0|2,0,0]=4 997 B11R1.3 COc1ccc(nc1)C(=O)O PB17398 [0,2,0,0,0,0|1,0,0]=3 998 B11R1.3 COc1ccc(nn1)C(=O)O AB52589 [0,2,0,0,0,0|2,0,0]=4 999 B11R1.3 COc1cnc(cn1)C(=O)O AB60459 [0,2,0,0,0,0|2,0,0]=4 1000 B11R1.3 c1cc(ncc1C#N)C(=O)O AB49711 [0,2,0,0,0,0|1,0,0]=3 1001 B11R1.3 c1cc(ncc1C=O)C(=O)O AB63121 [0,2,0,0,0,0|1,0,0]=3 1002 B11R1.19 CC(C)(C)c1ccc(cn1)Br MB10118 [0,2,0,0,0,0|1,0,1]=4 1003 B11R1.19 CC(C)(C)c1ccc(cn1)Cl AB71814 [0,2,0,0,0,0|1,0,1]=4 1004 B11R1.19 CC(C)(C)c1ccc(cn1)O MB11628 [0,2,0,0,0,0|1,0,1]=4 1005 B11R1.19 CS(=O)(=O)c1ccc(cc1)Br AB01453 [0,2,0,0,0,0|2,0,0]=4 1006 B11R1.19 CS(=O)(=O)c1ccc(cc1)I AB07768 [0,2,0,0,0,0|2,0,0]=4 1007 B11R1.19 CS(=O)(=O)c1ccc(cc1)N AB01467 [0,2,0,0,0,0|2,0,0]=4 1008 B11R1.19 CS(=O)(=O)c1ccc(cc1)O AB02067 [0,2,0,0,0,0|2,0,0]=4 1009 B11R1.19 CS(=O)(=O)c1ccc(cn1)Br MB03438 [0,2,0,0,0,0|1,0,0]=3 1010 B11R1.19 CS(=O)(=O)c1cnc(cn1)Br MB14098 [0,2,0,0,0,0|2,0,0]=4 1011 B11R1.19 CS(=O)(=O)c1ncc(cn1)Cl AB04484 [0,2,0,0,0,0|2,0,0]=4 1012 B11R1.19 Cc1ccc(nc1)S(=O)(=O)Cl AB28629 [0,2,0,0,0,0|2,0,0]=4 1013 B11R1.19 c1cc(ncc1Br)S(=O)(=O)Cl AB28624 [0,2,0,0,0,0|2,0,0]=4 1014 B11R1.19 c1cc(ncc1Br)S(=O)(=O)O MB13729 [0,2,0,0,0,0|2,0,0]=4 1015 B11R1.19 c1cc(ncc1Cl)S(=O)(=O)Cl AB28625 [0,2,0,0,0,0|2,0,0]=4 1016 B11R1.19 c1cc(ncc1F)S(=O)(=O)Cl AB67683 [0,2,0,0,0,0|2,0,0]=4 1017 B11R1.19 c1cc(ncc1O)S(=O)(=O)N MB30380 [0,2,0,0,0,0|2,0,0]=4 1018 B11R1.21 CC(=O)c1cc(c(cn1)Cl)Cl AB73180 [0,2,0,0,0,0|0,0,0]=2 1019 B11R1.21 CC(=O)c1cc(c(cn1)Cl)F AB82986 [0,2,0,0,0,0|0,0,0]=2 1020 B11R1.21 CC(=O)c1cc(c(cn1)Cl)N AB83914 [0,2,0,0,0,0|0,0,0]=2 1021 B11R1.21 CC(=O)c1cc(c(cn1)Cl)O AB75003 [0,2,0,0,0,0|0,0,0]=2 1022 B11R1.21 CC(=O)c1cc(c(cn1)F)Cl AB83156 [0,2,0,0,0,0|0,0,0]=2 1023 B11R1.21 CC(=O)c1cc(c(cn1)N)Cl AB83892 [0,2,0,0,0,0|0,0,0]=2 1024 B11R1.21 CC(=O)c1cc(c(cn1)O)Cl AB75001 [0,2,0,0,0,0|0,0,0]=2 1025 B11R1.21 CC(=O)c1cc(c(nc1)Cl)Cl AB60291 [0,2,0,0,0,0|2,0,0]=4 1026 B11R1.21 CC(=O)c1cc(c(nc1)Cl)F AB74574 [0,2,0,0,0,0|2,0,0]=4 1027 B11R1.21 CC(=O)c1cc(c(nc1)Cl)N AB83970 [0,2,0,0,0,0|2,0,0]=4 1028 B11R1.21 CC(=O)c1cc(c(nc1)Cl)O AB74793 [0,2,0,0,0,0|2,0,0]=4 1029 B11R1.21 CC(=O)c1cc(c(nc1)F)Cl AB75049 [0,2,0,0,0,0|2,0,0]=4 1030 B11R1.21 CC(=O)c1cc(c(nc1)N)Cl AB74572 [0,2,0,0,0,0|2,0,0]=4 1031 B11R1.21 CC(=O)c1cc(c(nc1)N)N AB60288 [0,2,0,0,0,0|2,0,0]=4 1032 B11R1.21 CC(=O)c1cc(c(nc1)O)Cl AB84068 [0,2,0,0,0,0|2,0,0]=4 1033 B11R1.21 CC(=O)c1ccc(c(n1)Cl)F AB75031 [0,2,0,0,0,0|0,0,0]=2 1034 B11R1.21 CC(=O)c1ccc(c(n1)Cl)N AB51559 [0,2,0,0,0,0|0,0,0]=2 1035 B11R1.21 CC(=O)c1ccc(c(n1)Cl)O AB74855 [0,2,0,0,0,0|0,0,0]=2 1036 B11R1.21 CC(=O)c1ccc(c(n1)F)Cl AB72855 [0,2,0,0,0,0|0,0,0]=2 1037 B11R1.21 CC(=O)c1ccc(c(n1)N)Cl AB83957 [0,2,0,0,0,0|0,0,0]=2 1038 B11R1.21 CC(=O)c1ccc(c(n1)O)Cl AB84085 [0,2,0,0,0,0|0,0,0]=2 1039 B11R1.21 CC(C)c1ccc(c(n1)Cl)N AB73366 [0,2,0,0,0,0|1,0,1]=4 1040 B11R1.21 CC(C)c1ccc(c(n1)F)F AB73369 [0,2,0,0,0,0|1,0,1]=4 1041 B11R1.21 CC(C)c1ccc(c(n1)N)N AB73420 [0,2,0,0,0,0|1,0,1]=4 1042 B11R1.21 Cc1c(cc(cn1)C(=O)C)Cl AB74646 [0,2,0,0,0,0|2,0,0]=4 1043 B11R1.21 Cc1c(cc(cn1)C(=O)C)F AB83026 [0,2,0,0,0,0|2,0,0]=4 1044 B11R1.21 Cc1c(ccc(n1)C(=O)C)Cl AB83319 [0,2,0,0,0,0|0,0,0]=2 1045 B11R1.21 Cc1c(ccc(n1)C(=O)C)F AB75156 [0,2,0,0,0,0|0,0,0]=2 1046 B11R1.21 Cc1c(ccc(n1)C(=O)O)Cl AB74921 [0,2,0,0,0,0|1,0,0]=3 1047 B11R1.21 Cc1c(ccc(n1)C(=O)O)F AB62793 [0,2,0,0,0,0|1,0,0]=3 1048 B11R1.21 Cc1c(nc(cn1)C(=O)C)C AB21776 [0,2,0,0,0,0|1,0,0]=3 1049 B11R1.21 Cc1c(nc(cn1)C(=O)O)C AB13799 [0,2,0,0,0,0|2,0,0]=4 1050 B11R1.21 Cc1c(ncc(n1)C(=O)O)Cl AB71835 [0,2,0,0,0,0|2,0,0]=4 1051 B11R1.21 Cc1c(ncc(n1)C(=O)O)F AB85697 [0,2,0,0,0,0|2,0,0]=4 1052 B11R1.21 Cc1cc(ccc1O)C(=O)N MB23357 [0,2,0,0,0,0|2,0,0]=4 1053 B11R1.21 Cc1cc(cnc1C)C(=O)C AB75410 [0,2,0,0,0,0|2,0,0]=4 1054 B11R1.21 Cc1cc(cnc1Cl)C(=O)C AB75129 [0,2,0,0,0,0|2,0,0]=4 1055 B11R1.21 Cc1cc(cnc1F)C(=O)C AB75174 [0,2,0,0,0,0|2,0,0]=4 1056 B11R1.21 Cc1cc(ncc1Br)C(=O)O AB41173 [0,2,0,0,0,0|1,0,0]=3 1057 B11R1.21 Cc1cc(ncc1Br)N(C)C AB44355 [0,2,0,0,0,0|2,0,0]=4 1058 B11R1.21 Cc1cc(ncc1C)C(=O)C AB74626 [0,2,0,0,0,0|0,0,0]=2 1059 B11R1.21 Cc1cc(ncc1C)C(=O)O AB64943 [0,2,0,0,0,0|1,0,0]=3 1060 B11R1.21 Cc1cc(ncc1Cl)C(=O)C AB75107 [0,2,0,0,0,0|0,0,0]=2 1061 B11R1.21 Cc1cc(ncc1Cl)C(=O)O AB41176 [0,2,0,0,0,0|1,0,0]=3 1062 B11R1.21 Cc1cc(ncc1F)C(=O)O AB74791 [0,2,0,0,0,0|1,0,0]=3 1063 B11R1.21 Cc1ccc(cc1O)C(=O)N AB63532 [0,2,0,0,0,0|2,0,0]=4 1064 B11R1.21 Cc1ccc(nc1C)C(=O)C AB74623 [0,2,0,0,0,0|0,0,0]=2 1065 B11R1.21 Cc1ccc(nc1C)C(=O)O AB62927 [0,2,0,0,0,0|1,0,0]=3 1066 B11R1.21 Cc1ccc(nc1Cl)C(=O)C AB75095 [0,2,0,0,0,0|0,0,0]=2 1067 B11R1.21 Cc1ccc(nc1Cl)C(=O)O AB66617 [0,2,0,0,0,0|1,0,0]=3 1068 B11R1.21 Cc1ccc(nc1F)C(=O)C AB75167 [0,2,0,0,0,0|0,0,0]=2 1069 B11R1.21 Cc1ccc(nc1F)C(=O)O AB72844 [0,2,0,0,0,0|1,0,0]=3 1070 B11R1.21 Cc1cnc(c[n+]1[O-])C(=O)O MB01535 [0,2,0,0,0,0|2,0,0]=4 1071 B11R1.21 Cc1cnc(cc1Br)C(=O)O AB70164 [0,2,0,0,0,0|1,0,0]=3 1072 B11R1.21 Cc1cnc(cc1Cl)C(=O)C AB83277 [0,2,0,0,0,0|0,0,0]=2 1073 B11R1.21 Cc1cnc(cc1Cl)C(=O)O AB65446 [0,2,0,0,0,0|1,0,0]=3 1074 B11R1.21 Cc1cnc(cc1F)C(=O)C AB82953 [0,2,0,0,0,0|0,0,0]=2 1075 B11R1.21 Cc1cnc(cc1F)C(=O)O AB74895 [0,2,0,0,0,0|1,0,0]=3 1076 B11R1.21 Cn1c(=O)ccc(n1)C(=O)O PB12782 [0,2,0,0,0,0|2,0,0]=4 1077 B11R1.21 c1c(c(cnc1C(=O)O)Br)Cl AB67645 [0,2,0,0,0,0|1,0,0]=3 1078 B11R1.21 c1c(c(cnc1C(=O)O)Br)N PB21081 [0,2,0,0,0,0|1,0,0]=3 1079 B11R1.21 c1c(c(cnc1C(=O)O)Cl)Cl AB63131 [0,2,0,0,0,0|1,0,0]=3 1080 B11R1.21 c1c(c(cnc1C(=O)O)Cl)F AB74911 [0,2,0,0,0,0|1,0,0]=3 1081 B11R1.21 c1c(c(cnc1C(=O)O)Cl)N AB75270 [0,2,0,0,0,0|1,0,0]=3 1082 B11R1.21 c1c(c(cnc1C(=O)O)Cl)O AB74886 [0,2,0,0,0,0|1,0,0]=3 1083 B11R1.21 c1c(c(cnc1C(=O)O)F)Cl AB67663 [0,2,0,0,0,0|1,0,0]=3 1084 B11R1.21 c1c(c(cnc1C(=O)O)F)F AB73187 [0,2,0,0,0,0|1,0,0]=3 1085 B11R1.21 c1c(c(cnc1C(=O)O)N)Cl AB67747 [0,2,0,0,0,0|1,0,0]=3 1086 B11R1.21 c1c(c(cnc1C(=O)O)N)F AB73539 [0,2,0,0,0,0|1,0,0]=3 1087 B11R1.21 c1c(c(cnc1C(=O)O)O)Cl AB67787 [0,2,0,0,0,0|1,0,0]=3 1088 B11R1.21 c1c(nc(c(n1)N)Br)C(=O)O PB26120 [0,2,0,0,0,0|2,0,0]=4 1089 B11R1.21 c1c(nc(c(n1)N)I)C(=O)O PB37460 [0,2,0,0,0,0|2,0,0]=4 1090 B11R1.21 c1cc(c(cc1C(=O)N)Br)O MB31615 [0,2,0,0,0,0|2,0,0]=4 1091 B11R1.21 c1cc(c(cc1C(=O)N)Cl)O MB09407 [0,2,0,0,0,0|2,0,0]=4 1092 B11R1.21 c1cc(c(cc1C(=O)N)F)O MB30803 [0,2,0,0,0,0|2,0,0]=4 1093 B11R1.21 c1cc(c(cc1C(=O)N)I)O MB25459 [0,2,0,0,0,0|2,0,0]=4 1094 B11R1.21 c1cc(c(cc1C(=O)N)N)F AB51096 [0,2,0,0,0,0|2,0,0]=4 1095 B11R1.21 c1cc(c(cc1C(=O)N)N)O MB11674 [0,2,0,0,0,0|2,0,0]=4 1096 B11R1.21 c1cc(c(cc1C(=O)N)O)Br MB25480 [0,2,0,0,0,0|2,0,0]=4 1097 B11R1.21 c1cc(c(cc1C(=O)N)O)Cl MB27786 [0,2,0,0,0,0|2,0,0]=4 1098 B11R1.21 c1cc(c(cc1C(=O)N)O)F MB26081 [0,2,0,0,0,0|2,0,0]=4 1099 B11R1.21 c1cc(c(cc1C(=O)N)O)I MB09166 [0,2,0,0,0,0|2,0,0]=4 1100 B11R1.21 c1cc(c(cc1C(=O)N)O)N MB25500 [0,2,0,0,0,0|2,0,0]=4 1101 B11R1.21 c1cc(c(cc1C(=O)O)Br)F AB01920 [0,2,0,0,0,0|2,0,0]=4 1102 B11R1.21 c1cc(c(cc1C(=O)O)F)Br AB06858 [0,2,0,0,0,0|2,0,0]=4 1103 B11R1.21 c1cc(c(cc1C(=O)O)F)O AB03853 [0,2,0,0,0,0|2,0,0]=4 1104 B11R1.21 c1cc(c(cc1C(=O)O)N)F AB25439 [0,2,0,0,0,0|2,0,0]=4 1105 B11R1.21 c1cc(c(cc1C(=O)O)O)Cl AB04116 [0,2,0,0,0,0|2,0,0]=4 1106 B11R1.21 c1cc(c(cc1C(=O)O)O)F AB05533 [0,2,0,0,0,0|2,0,0]=4 1107 B11R1.21 c1cc(c(cc1C(=O)O)O)I AB10648 [0,2,0,0,0,0|2,0,0]=4 1108 B11R1.21 c1cc(nc(c1Cl)F)C(=O)O AB49341 [0,2,0,0,0,0|1,0,0]=3 1109 B11R1.21 c1cc(nc(c1Cl)N)C(=O)O AB74552 [0,2,0,0,0,0|1,0,0]=3 1110 B11R1.21 c1cc(nc(c1F)Cl)C(=O)O AB66795 [0,2,0,0,0,0|1,0,0]=3 1111 B11R1.21 c1cc(nc(c1F)F)C(=O)O AB49344 [0,2,0,0,0,0|1,0,0]=3 1112 B11R1.21 c1cc(nc(c1N)Cl)C(=O)O AB75268 [0,2,0,0,0,0|1,0,0]=3 1113 B11R1.21 c1cc(nc(c1O)Cl)C(=O)O AB64506 [0,2,0,0,0,0|1,0,0]=3 1114 B11R1.22 CCC(=O)c1ccc(cn1)Br AB68534 [0,2,0,0,0,0|0,0,0]=2 1115 B11R1.22 CNC(=O)c1ccc(cc1)O MB02709 [0,2,0,0,0,0|1,0,0]=3 1116 B11R1.22 CNC(=O)c1ccc(cn1)O MB11446 [0,2,0,0,0,0|0,0,0]=2 1117 B11R1.22 CNC(=O)c1ccc(nc1)Br MB07978 [0,2,0,0,0,0|2,0,0]=4 1118 B11R1.22 CNC(=O)c1ccc(nn1)Cl MB11670 [0,2,0,0,0,0|1,0,0]=3 1119 B11R1.22 CNC(=O)c1cnc(cn1)Br MB14257 [0,2,0,0,0,0|1,0,0]=3 1120 B11R1.22 COC(=N)c1ccc(cc1)F AB60956 [0,2,0,0,0,0|2,0,0]=4 1121 B11R1.22 COC(=N)c1ccc(cc1)N AB60980 [0,2,0,0,0,0|2,0,0]=4 1122 B11R1.22 COC(=N)c1ccc(cc1)O AB01949 [0,2,0,0,0,0|2,0,0]=4 1123 B11R1.22 COC(=O)c1ccc(cn1)Br PB29312 [0,2,0,0,0,0|0,0,0]=2 1124 B11R1.22 COC(=O)c1ccc(cn1)Cl AB51080 [0,2,0,0,0,0|0,0,0]=2 1125 B11R1.22 COC(=O)c1ccc(cn1)N PB26290 [0,2,0,0,0,0|0,0,0]=2 1126 B11R1.22 COC(=O)c1ccc(cn1)O PB27686 [0,2,0,0,0,0|0,0,0]=2 1127 B11R1.22 COC(=O)c1ccc(nc1)Br PB29326 [0,2,0,0,0,0|2,0,0]=4 1128 B11R1.22 COC(=O)c1ccc(nc1)N PB19892 [0,2,0,0,0,0|2,0,0]=4 1129 B11R1.22 COC(=O)c1ccc(nc1)O PB34296 [0,2,0,0,0,0|2,0,0]=4 1130 B11R1.22 COC(=O)c1ccc(nn1)Br MB13587 [0,2,0,0,0,0|1,0,0]=3 1131 B11R1.22 COC(=O)c1ccc(nn1)Cl PB18925 [0,2,0,0,0,0|1,0,0]=3 1132 B11R1.22 COC(=O)c1ccc(nn1)N PB33362 [0,2,0,0,0,0|1,0,0]=3 1133 B11R1.22 COC(=O)c1ccc(nn1)O PB13716 [0,2,0,0,0,0|1,0,0]=3 1134 B11R1.22 COC(=O)c1cnc(cn1)Br MB08354 [0,2,0,0,0,0|1,0,0]=3 1135 B11R1.22 COC(=O)c1cnc(cn1)Cl PB33958 [0,2,0,0,0,0|1,0,0]=3 1136 B11R1.22 COC(=O)c1cnc(cn1)N PB12687 [0,2,0,0,0,0|1,0,0]=3 1137 B11R1.22 COC(=O)c1cnc(cn1)O PB32586 [0,2,0,0,0,0|1,0,0]=3 1138 B11R1.22 COC(=O)c1ncc(cn1)Br PB26634 [0,2,0,0,0,0|1,0,0]=3 1139 B11R1.22 COC(=O)c1ncc(cn1)N PB10524 [0,2,0,0,0,0|1,0,0]=3 1140 B11R1.22 COC(=O)c1ncc(cn1)N PB37109 [0,2,0,0,0,0|1,0,0]=3 1141 B11R1.22 COS(=O)c1ccc(cc1)Cl AB45287 [0,2,0,0,0,0|2,0,0]=4 1142 B11R1.22 Cc1ccc(cc1)C(=O)C=O AB05249 [0,2,0,0,0,0|1,0,1]=4 1143 B11R1.22 Cc1ccc(cc1)C(=O)C=O AB05288 [0,2,0,0,0,0|1,0,1]=4 1144 B11R1.22 Cc1cnc(nc1)C(=O)OC PB28603 [0,2,0,0,0,0|1,0,0]=3 1145 B11R1.22 c1cc(ccc1C(=O)C#N)Br MB00883 [0,2,0,0,0,0|1,0,1]=4 1146 B11R1.22 c1cc(ccc1C(=O)C=O)Br AB07939 [0,2,0,0,0,0|1,0,1]=4 1147 B11R1.22 c1cc(ccc1C(=O)C=O)Br AB49987 [0,2,0,0,0,0|1,0,1]=4 1148 B11R1.22 c1cc(ccc1C(=O)C=O)Cl AB44429 [0,2,0,0,0,0|1,0,1]=4 1149 B11R1.22 c1cc(ccc1C(=O)C=O)F AB09010 [0,2,0,0,0,0|1,0,1]=4 1150 B11R1.22 c1cc(ccc1C(=O)C=O)O AB02263 [0,2,0,0,0,0|1,0,1]=4 1151 B11R1.22 c1cc(ccc1C(=O)CN)Br CB10172 [0,2,0,0,0,0|1,0,0]=3 1152 B11R1.22 c1cc(ccc1C(=O)CO)F MB02453 [0,2,0,0,0,0|1,0,0]=3 1153 B11R1.22 c1cc(ncc1Br)C(=O)CBr AB69651 [0,2,0,0,0,0|0,0,0]=2 1154 B11R1.22 c1cc(ncc1C(=O)CBr)Cl AB13128 [0,2,0,0,0,0|2,0,0]=4 1155 B11R1.22 c1cc(ncc1Cl)C(=O)CBr AB60184 [0,2,0,0,0,0|0,0,0]=2 1156 B11R1.166 CC(=O)c1c(cc(cn1)Br)Br AB43404 [0,2,0,0,0,0|0,0,0]=2 1157 B11R1.166 CC(=O)c1c(cc(cn1)Br)N AB77139 [0,2,0,0,0,0|0,0,0]=2 1158 B11R1.166 CC(=O)c1c(cc(cn1)Br)O AB84315 [0,2,0,0,0,0|0,0,0]=2 1159 B11R1.166 CC(=O)c1c(cc(cn1)Cl)F AB75038 [0,2,0,0,0,0|0,0,0]=2 1160 B11R1.166 CC(=O)c1c(cc(cn1)Cl)N AB73056 [0,2,0,0,0,0|0,0,0]=2 1161 B11R1.166 CC(=O)c1c(cc(cn1)Cl)O AB75011 [0,2,0,0,0,0|0,0,0]=2 1162 B11R1.166 CC(=O)c1c(cc(cn1)F)Cl AB74653 [0,2,0,0,0,0|0,0,0]=2 1163 B11R1.166 CC(=O)c1c(cc(cn1)F)N AB77154 [0,2,0,0,0,0|0,0,0]=2 1164 B11R1.166 CC(=O)c1c(cc(cn1)N)N AB83853 [0,2,0,0,0,0|0,0,0]=2 1165 B11R1.166 CC(=O)c1c(cc(cn1)N)O AB84318 [0,2,0,0,0,0|0,0,0]=2 1166 B11R1.166 CC(=O)c1ccc(cc1F)Br MB02747 [0,2,0,0,0,0|1,0,0]=3 1167 B11R1.166 CC(=O)c1ccc(cc1F)N MB05492 [0,2,0,0,0,0|1,0,0]=3 1168 B11R1.166 CC(=O)c1ccc(cc1O)Br AB15427 [0,2,0,0,0,0|1,0,0]=3 1169 B11R1.166 CC(=O)c1ccc(nc1Cl)Cl AB64664 [0,2,0,0,0,0|2,0,0]=4 1170 B11R1.166 CC(=O)c1ccc(nc1F)Br AB72629 [0,2,0,0,0,0|2,0,0]=4 1171 B11R1.166 CC(=O)c1ccc(nc1F)Cl AB72627 [0,2,0,0,0,0|2,0,0]=4 1172 B11R1.166 CC(=O)c1ccc(nc1N)Br AB83837 [0,2,0,0,0,0|2,0,0]=4 1173 B11R1.166 CC(=O)c1ccc(nc1N)Cl AB75425 [0,2,0,0,0,0|2,0,0]=4 1174 B11R1.166 CC(=O)c1ccc(nc1N)N AB83840 [0,2,0,0,0,0|2,0,0]=4 1175 B11R1.166 CC(=O)c1ccc(nc1O)Br AB84273 [0,2,0,0,0,0|2,0,0]=4 1176 B11R1.166 CC(=O)c1ccc(nc1O)Cl AB72633 [0,2,0,0,0,0|2,0,0]=4 1177 B11R1.166 CC(=O)c1ccc(nc1O)N AB84276 [0,2,0,0,0,0|2,0,0]=4 1178 B11R1.166 CC(=O)c1cnc(cc1Cl)Cl AB13863 [0,2,0,0,0,0|2,0,0]=4 1179 B11R1.166 CC(=O)c1cnc(cc1Cl)F AB71566 [0,2,0,0,0,0|2,0,0]=4 1180 B11R1.166 CC(=O)c1cnc(cc1N)Br AB63704 [0,2,0,0,0,0|2,0,0]=4 1181 B11R1.166 CC(=O)c1cnc(cc1N)Cl AB83812 [0,2,0,0,0,0|2,0,0]=4 1182 B11R1.166 CC(=O)c1cnc(cc1O)Br AB72643 [0,2,0,0,0,0|2,0,0]=4 1183 B11R1.166 CC(=O)c1cnc(cc1O)Cl AB84198 [0,2,0,0,0,0|2,0,0]=4 1184 B11R1.166 CC(=O)c1cnc(cc1O)N AB84199 [0,2,0,0,0,0|2,0,0]=4 1185 B11R1.166 Cc1c(ccc(n1)Cl)C(=O)C AB11952 [0,2,0,0,0,0|2,0,0]=4 1186 B11R1.166 Cc1c(ncc(n1)Br)C(=O)O AB85708 [0,2,0,0,0,0|2,0,0]=4 1187 B11R1.166 Cc1c(ncc(n1)Cl)C(=O)C AB85683 [0,2,0,0,0,0|1,0,0]=3 1188 B11R1.166 Cc1c(ncc(n1)Cl)C(=O)O AB85679 [0,2,0,0,0,0|2,0,0]=4 1189 B11R1.166 Cc1cc(c(cn1)C(=O)C)Cl AB64940 [0,2,0,0,0,0|2,0,0]=4 1190 B11R1.166 Cc1cc(c(cn1)C(=O)C)F AB83044 [0,2,0,0,0,0|2,0,0]=4 1191 B11R1.166 Cc1cc(c(cn1)C(=O)C)N AB50225 [0,2,0,0,0,0|2,0,0]=4 1192 B11R1.166 Cc1cc(c(cn1)C(=O)C)O AB75251 [0,2,0,0,0,0|2,0,0]=4 1193 B11R1.166 Cc1cc(c(nc1)C(=O)C)C AB50219 [0,2,0,0,0,0|0,0,0]=2 1194 B11R1.166 Cc1cc(c(nc1)C(=O)C)Cl AB75090 [0,2,0,0,0,0|0,0,0]=2 1195 B11R1.166 Cc1cc(c(nc1)C(=O)C)F AB75164 [0,2,0,0,0,0|0,0,0]=2 1196 B11R1.166 Cc1cc(c(nc1)C(=O)C)N AB77150 [0,2,0,0,0,0|0,0,0]=2 1197 B11R1.166 Cc1cc(c(nc1)C(=O)C)O AB75244 [0,2,0,0,0,0|0,0,0]=2 1198 B11R1.166 Cc1cc(c(nc1)C(=O)O)C AB53520 [0,2,0,0,0,0|1,0,0]=3 1199 B11R1.166 Cc1cc(c(nc1)C(=O)O)Cl AB74925 [0,2,0,0,0,0|1,0,0]=3 1200 B11R1.166 Cc1cc(c(nc1)C(=O)O)F PB30310 [0,2,0,0,0,0|1,0,0]=3 1201 B11R1.166 Cc1cc(c(nc1)C(=O)O)N AB66555 [0,2,0,0,0,0|1,0,0]=3 1202 B11R1.166 Cc1cc(ccc1C(=O)N)O MB23401 [0,2,0,0,0,0|2,0,0]=4 1203 B11R1.166 Cc1cc(cnc1C(=O)C)Cl AB75124 [0,2,0,0,0,0|0,0,0]=2 1204 B11R1.166 Cc1cc(cnc1C(=O)C)F AB74622 [0,2,0,0,0,0|0,0,0]=2 1205 B11R1.166 Cc1cc(cnc1C(=O)O)Br AB41227 [0,2,0,0,0,0|1,0,0]=3 1206 B11R1.166 Cc1cc(cnc1C(=O)O)Cl AB41233 [0,2,0,0,0,0|1,0,0]=3 1207 B11R1.166 Cc1cc(cnc1C(=O)O)F AB74795 [0,2,0,0,0,0|1,0,0]=3 1208 B11R1.166 Cc1cc(cnc1C(=O)O)N AB41220 [0,2,0,0,0,0|1,0,0]=3 1209 B11R1.166 Cc1cc(ncc1C(=O)C)C AB50221 [0,2,0,0,0,0|2,0,0]=4 1210 B11R1.166 Cc1cc(ncc1C(=O)C)Cl AB83349 [0,2,0,0,0,0|2,0,0]=4 1211 B11R1.166 Cc1cc(ncc1C(=O)C)F AB83065 [0,2,0,0,0,0|2,0,0]=4 1212 B11R1.166 Cc1ccc(c(c1)O)C(=O)N MB02488 [0,2,0,0,0,0|2,0,0]=4 1213 B11R1.166 Cc1ccc(c(n1)Cl)C(=O)C AB64666 [0,2,0,0,0,0|2,0,0]=4 1214 B11R1.166 Cc1ccc(c(n1)N)C(=O)C AB83843 [0,2,0,0,0,0|2,0,0]=4 1215 B11R1.166 Cc1ccc(c(n1)O)C(=O)C AB84278 [0,2,0,0,0,0|2,0,0]=4 1216 B11R1.166 Cc1cnc(c(n1)C)C(=O)O AB71826 [0,2,0,0,0,0|2,0,0]=4 1217 B11R1.166 Cc1cnc(c(n1)O)C(=O)O AB48562 [0,2,0,0,0,0|2,0,0]=4 1218 B11R1.166 c1c(cnc(c1Br)C(=O)O)Br AB25162 [0,2,0,0,0,0|1,0,0]=3 1219 B11R1.166 c1c(cnc(c1Br)[N+](=O)[O-])Br CB10530 [0,2,0,0,0,0|2,0,0]=4 1220 B11R1.166 c1c(cnc(c1Cl)C(=O)O)Cl AB13812 [0,2,0,0,0,0|1,0,0]=3 1221 B11R1.166 c1c(cnc(c1Cl)C(=O)O)F AB66800 [0,2,0,0,0,0|1,0,0]=3 1222 B11R1.166 c1c(cnc(c1Cl)C(=O)O)N AB73535 [0,2,0,0,0,0|1,0,0]=3 1223 B11R1.166 c1c(cnc(c1F)C(=O)N)Br AB65704 [0,2,0,0,0,0|1,0,0]=3 1224 B11R1.166 c1c(cnc(c1F)C(=O)O)Br PB15891 [0,2,0,0,0,0|1,0,0]=3 1225 B11R1.166 c1c(cnc(c1F)C(=O)O)Cl AB66361 [0,2,0,0,0,0|1,0,0]=3 1226 B11R1.166 c1c(cnc(c1F)C(=O)O)N AB73541 [0,2,0,0,0,0|1,0,0]=3 1227 B11R1.166 c1c(cnc(c1N)C(=O)N)Br PB28226 [0,2,0,0,0,0|1,0,0]=3 1228 B11R1.166 c1c(cnc(c1N)C(=O)O)Br PB25268 [0,2,0,0,0,0|1,0,0]=3 1229 B11R1.166 c1c(cnc(c1N)C(=O)O)Cl PB13238 [0,2,0,0,0,0|1,0,0]=3 1230 B11R1.166 c1c(cnc(c1N)C(=O)O)Cl PB25748 [0,2,0,0,0,0|1,0,0]=3 1231 B11R1.166 c1c(cnc(c1N)C(=O)O)N AB83569 [0,2,0,0,0,0|1,0,0]=3 1232 B11R1.166 c1c(nc(c(n1)C(=O)N)Cl)Cl AB56020 [0,2,0,0,0,0|2,0,0]=4 1233 B11R1.166 c1c(nc(c(n1)C(=O)O)Cl)Cl PB29742 [0,2,0,0,0,0|2,0,0]=4 1234 B11R1.166 c1c(nc(c(n1)C(=O)O)N)Cl AB73168 [0,2,0,0,0,0|2,0,0]=4 1235 B11R1.166 c1cc(c(cc1Br)Br)C(=O)O AB05197 [0,2,0,0,0,0|2,0,0]=4 1236 B11R1.166 c1cc(c(cc1Br)F)C(=O)O AB03858 [0,2,0,0,0,0|2,0,0]=4 1237 B11R1.166 c1cc(c(cc1Br)N)C(=O)N AB65645 [0,2,0,0,0,0|2,0,0]=4 1238 B11R1.166 c1cc(c(cc1Br)N)C(=O)O MB02895 [0,2,0,0,0,0|2,0,0]=4 1239 B11R1.166 c1cc(c(cc1Br)O)C(=O)N MB04760 [0,2,0,0,0,0|2,0,0]=4 1240 B11R1.166 c1cc(c(cc1Cl)O)C(=O)N MB09408 [0,2,0,0,0,0|2,0,0]=4 1241 B11R1.166 c1cc(c(cc1F)Br)C(=O)O AB02279 [0,2,0,0,0,0|2,0,0]=4 1242 B11R1.166 c1cc(c(cc1F)F)C(=O)O AB01069 [0,2,0,0,0,0|2,0,0]=4 1243 B11R1.166 c1cc(c(cc1F)O)C(=O)N MB25529 [0,2,0,0,0,0|2,0,0]=4 1244 B11R1.166 c1cc(c(cc1I)O)C(=O)N MB37556 [0,2,0,0,0,0|2,0,0]=4 1245 B11R1.166 c1cc(c(cc1N)O)C(=O)N MB25620 [0,2,0,0,0,0|2,0,0]=4 1246 B11R1.166 c1cc(c(cc1O)Br)C(=O)O MB28859 [0,2,0,0,0,0|2,0,0]=4 1247 B11R1.166 c1cc(c(cc1O)Cl)C(=O)N MB04155 [0,2,0,0,0,0|2,0,0]=4 1248 B11R1.166 c1cc(c(cc1O)F)C(=O)N MB08417 [0,2,0,0,0,0|2,0,0]=4 1249 B11R1.166 c1cc(c(cc1O)I)C(=O)N MB32997 [0,2,0,0,0,0|2,0,0]=4 1250 B11R1.166 c1cc(c(cc1O)I)C(=O)O MB31618 [0,2,0,0,0,0|2,0,0]=4 1251 B11R1.166 c1cc(c(cc1O)N)C(=O)N MB00909 [0,2,0,0,0,0|2,0,0]=4 1252 B11R1.166 c1cc(c(cc1O)N)C(=O)O MB00542 [0,2,0,0,0,0|2,0,0]=4 1253 B11R1.7 CC(C)(CN)c1ccccn1 AB63159 [0,2,0,0,0,0|1,0,1]=4 1254 B11R1.7 c1ccnc(c1)C(CN)(F)F PB32694 [0,2,0,0,0,0|1,0,1]=4 1255 B11R1.7 c1ccnc(c1)C(CO)(F)F PB29587 [0,2,0,0,0,0|1,0,1]=4 1256 B11R1.12 B(c1ccccn1)(OC)OC AB14373 [0,2,0,0,0,0|1,0,1]=4 1257 B11R1.16 CCOC(=O)c1cccnc1 AB00748 [0,2,0,0,0,0|2,0,0]=4 1258 B11R1.16 CCOC(=O)c1ccncn1 AB52728 [0,2,0,0,0,0|1,0,0]=3 1259 B11R1.16 CCOC(=O)c1cncnn1 AB72449 [0,2,0,0,0,0|2,0,0]=4 1260 B11R1.16 CCOC(=O)c1cnncn1 AB66560 [0,2,0,0,0,0|2,0,0]=4 1261 B11R1.16 CCOC(=O)c1nccnn1 AB56211 [0,2,0,0,0,0|2,0,0]=4 1262 B11R1.16 CCOC(=O)c1ncncn1 AB66563 [0,2,0,0,0,0|2,0,0]=4 1263 B11R1.16 CN(CCN)c1ccccn1 AB60648 [0,2,0,0,0,0|2,0,0]=4 1264 B11R1.16 CNCC(=O)c1ccccc1 AB16229 [0,2,0,0,0,0|1,0,0]=3 1265 B11R1.16 C[C@@H](c1ccccc1)N=C=O AB00191 [0,2,0,0,0,0|1,0,1]=4 1266 B11R1.16 C[C@H](c1ccccc1)N=C=O AB02484 [0,2,0,0,0,0|1,0,1]=4 1267 B11R1.16 c1ccc(cc1)C(=O)OCCl AB01791 [0,2,0,0,0,0|1,0,0]=3 1268 B11R1.23 CCN(C)c1cccc(n1)Br AB54124 [0,2,0,0,0,0|2,0,0]=4 1269 B11R1.23 CNC(=O)c1cc(ccn1)Br MB13829 [0,2,0,0,0,0|0,0,0]=2 1270 B11R1.23 CNC(=O)c1cc(ccn1)Cl AB11548 [0,2,0,0,0,0|0,0,0]=2 1271 B11R1.23 CNC(=O)c1cc(ccn1)N AB65387 [0,2,0,0,0,0|0,0,0]=2 1272 B11R1.23 CNC(=O)c1cc(ccn1)O MB25398 [0,2,0,0,0,0|0,0,0]=2 1273 B11R1.23 CNC(=O)c1cc(cnc1)Br MB02044 [0,2,0,0,0,0|2,0,0]=4 1274 B11R1.23 CNC(=O)c1cc(cnc1)O MB25513 [0,2,0,0,0,0|2,0,0]=4 1275 B11R1.23 CNC(=O)c1cccc(c1)O MB06615 [0,2,0,0,0,0|1,0,0]=3 1276 B11R1.23 CNC(=O)c1cccc(n1)Br MB08958 [0,2,0,0,0,0|0,0,0]=2 1277 B11R1.23 CNC(=O)c1ccnc(c1)Br MB02752 [0,2,0,0,0,0|2,0,0]=4 1278 B11R1.23 CNC(=O)c1cncc(n1)Br MB14297 [0,2,0,0,0,0|1,0,0]=3 1279 B11R1.23 COC(=N)c1cccc(c1)Br AB60887 [0,2,0,0,0,0|2,0,0]=4 1280 B11R1.23 COC(=N)c1cccc(c1)Cl AB60959 [0,2,0,0,0,0|2,0,0]=4 1281 B11R1.23 COC(=N)c1cccc(c1)N AB60976 [0,2,0,0,0,0|2,0,0]=4 1282 B11R1.23 COC(=N)c1cccc(c1)O AB60982 [0,2,0,0,0,0|2,0,0]=4 1283 B11R1.23 COC(=O)c1cc(ccn1)Br PB30917 [0,2,0,0,0,0|0,0,0]=2 1284 B11R1.23 COC(=O)c1cc(ccn1)Cl AB20667 [0,2,0,0,0,0|0,0,0]=2 1285 B11R1.23 COC(=O)c1cc(ccn1)Cl PB18698 [0,2,0,0,0,0|0,0,0]=2 1286 B11R1.23 COC(=O)c1cc(ccn1)F AB40664 [0,2,0,0,0,0|0,0,0]=2 1287 B11R1.23 COC(=O)c1cc(ccn1)O AB65280 [0,2,0,0,0,0|0,0,0]=2 1288 B11R1.23 COC(=O)c1cc(cnc1)Br PB10112 [0,2,0,0,0,0|2,0,0]=4 1289 B11R1.23 COC(=O)c1cc(cnc1)F PB12769 [0,2,0,0,0,0|2,0,0]=4 1290 B11R1.23 COC(=O)c1cc(cnc1)N PB12793 [0,2,0,0,0,0|2,0,0]=4 1291 B11R1.23 COC(=O)c1cc(cnc1)O AB04590 [0,2,0,0,0,0|2,0,0]=4 1292 B11R1.23 COC(=O)c1cc(ncn1)Br MB14353 [0,2,0,0,0,0|1,0,0]=3 1293 B11R1.23 COC(=O)c1cc[nH]c(=O)c1 PB32713 [0,2,0,0,0,0|2,0,0]=4 1294 B11R1.23 COC(=O)c1cccc(c1)Cl AB00128 [0,2,0,0,0,0|1,0,0]=3 1295 B11R1.23 COC(=O)c1cccc(n1)Br AB23211 [0,2,0,0,0,0|0,0,0]=2 1296 B11R1.23 COC(=O)c1cccc(n1)Cl MB00777 [0,2,0,0,0,0|0,0,0]=2 1297 B11R1.23 COC(=O)c1cccc(n1)I AB42501 [0,2,0,0,0,0|0,0,0]=2 1298 B11R1.23 COC(=O)c1cccc(n1)N PB25993 [0,2,0,0,0,0|0,0,0]=2 1299 B11R1.23 COC(=O)c1ccnc(c1)Br AB16210 [0,2,0,0,0,0|2,0,0]=4 1300 B11R1.23 COC(=O)c1ccnc(c1)Cl PB12260 [0,2,0,0,0,0|2,0,0]=4 1301 B11R1.23 COC(=O)c1ccnc(c1)I AB43759 [0,2,0,0,0,0|2,0,0]=4 1302 B11R1.23 COC(=O)c1ccnc(c1)N PB29300 [0,2,0,0,0,0|2,0,0]=4 1303 B11R1.23 COC(=O)c1ccnc(n1)Br MB14325 [0,2,0,0,0,0|1,0,0]=3 1304 B11R1.23 COC(=O)c1ccnc(n1)Cl PB23898 [0,2,0,0,0,0|1,0,0]=3 1305 B11R1.23 COC(=O)c1cncc(n1)Cl PB17754 [0,2,0,0,0,0|1,0,0]=3 1306 B11R1.23 COC(=O)c1cncc(n1)N AB60529 [0,2,0,0,0,0|1,0,0]=3 1307 B11R1.23 COC(=O)c1nccc(n1)Br MB13584 [0,2,0,0,0,0|1,0,0]=3 1308 B11R1.23 Cc1cc(ccn1)C(=O)OC AB55692 [0,2,0,0,0,0|2,0,0]=4 1309 B11R1.23 Cc1cc(cnc1)C(=O)OC PB14201 [0,2,0,0,0,0|2,0,0]=4 1310 B11R1.23 Cc1cc(ncn1)C(=O)OC PB28486 [0,2,0,0,0,0|1,0,0]=3 1311 B11R1.23 c1cc(cc(c1)Br)C(=O)C=O AB45356 [0,2,0,0,0,0|1,0,1]=4 1312 B11R1.23 c1cc(cc(c1)Br)C(=O)C=O AB48671 [0,2,0,0,0,0|1,0,1]=4 1313 B11R1.23 c1cc(cc(c1)Cl)C(=O)C#N MB03014 [0,2,0,0,0,0|1,0,1]=4 1314 B11R1.23 c1cc(cc(c1)Cl)C(=O)C=O AB48675 [0,2,0,0,0,0|1,0,1]=4 1315 B11R1.23 c1cc(cc(c1)F)C(=O)C=O AB29976 [0,2,0,0,0,0|1,0,1]=4 1316 B11R1.23 c1cc(cc(c1)N)C(=O)CBr AB27803 [0,2,0,0,0,0|1,0,0]=3 1317 B11R1.23 c1cc(nc(c1)I)C(=O)NN AB42520 [0,2,0,0,0,0|1,0,0]=3 1318 B11R1.23 c1cnc(cc1C(=O)CBr)Cl AB51068 [0,2,0,0,0,0|2,0,0]=4 1319 B11R1.23 c1cnc(cc1Cl)C(=O)NN AB09802 [0,2,0,0,0,0|1,0,0]=3 1320 B11R1.222 CCC(=O)c1ccccc1F MB00205 [0,2,0,0,0,0|1,0,0]=3 1321 B11R1.222 CNC(=O)c1c(cccn1)O MB12020 [0,2,0,0,0,0|0,0,0]=2 1322 B11R1.222 CNC(=O)c1ccccc1O MB00422 [0,2,0,0,0,0|1,0,0]=3 1323 B11R1.222 CNC(=O)c1ccncc1O MB25570 [0,2,0,0,0,0|2,0,0]=4 1324 B11R1.222 CNC(=O)c1cnccc1O MB38207 [0,2,0,0,0,0|2,0,0]=4 1325 B11R1.222 COC(=N)c1ccccc1Cl AB60968 [0,2,0,0,0,0|2,0,0]=4 1326 B11R1.222 COC(=N)c1ccccc1F AB60966 [0,2,0,0,0,0|2,0,0]=4 1327 B11R1.222 COC(=N)c1ccccc1O AB60984 [0,2,0,0,0,0|2,0,0]=4 1328 B11R1.222 COC(=O)c1c(cccn1)Br PB13499 [0,2,0,0,0,0|0,0,0]=2 1329 B11R1.222 COC(=O)c1c(cccn1)N AB48413 [0,2,0,0,0,0|0,0,0]=2 1330 B11R1.222 COC(=O)c1c(nccn1)Br PB16076 [0,2,0,0,0,0|1,0,0]=3 1331 B11R1.222 COC(=O)c1c(nccn1)Cl PB15729 [0,2,0,0,0,0|1,0,0]=3 1332 B11R1.222 COC(=O)c1c(nccn1)O AB13230 [0,2,0,0,0,0|1,0,0]=3 1333 B11R1.222 COC(=O)c1cccnc1Br AB31400 [0,2,0,0,0,0|2,0,0]=4 1334 B11R1.222 COC(=O)c1cccnc1Cl PB12739 [0,2,0,0,0,0|2,0,0]=4 1335 B11R1.222 COC(=O)c1cccnc1O AB44640 [0,2,0,0,0,0|2,0,0]=4 1336 B11R1.222 COC(=O)c1ccncc1Br PB14358 [0,2,0,0,0,0|2,0,0]=4 1337 B11R1.222 COC(=O)c1ccncc1I PB10250 [0,2,0,0,0,0|2,0,0]=4 1338 B11R1.222 COC(=O)c1ccncc1N PB21166 [0,2,0,0,0,0|2,0,0]=4 1339 B11R1.222 COC(=O)c1cnccc1Cl AB56385 [0,2,0,0,0,0|2,0,0]=4 1340 B11R1.222 COC(=O)c1cnccc1F AB70564 [0,2,0,0,0,0|2,0,0]=4 1341 B11R1.222 COC(=O)c1cnccc1N PB32232 [0,2,0,0,0,0|2,0,0]=4 1342 B11R1.222 C\C(=N/N)\c1ccccc1O AB84931 [0,2,0,0,0,0|2,0,0]=4 1343 B11R1.222 Cc1c(nccn1)C(=O)OC AB48626 [0,2,0,0,0,0|1,0,0]=3 1344 B11R1.222 Cc1ccccc1C(=O)OC AB00946 [0,2,0,0,0,0|1,0,0]=3 1345 B11R1.222 Cc1cccnc1C(=O)OC AB16147 [0,2,0,0,0,0|0,0,0]=2 1346 B11R1.222 Cc1cnccc1C(=O)OC PB29263 [0,2,0,0,0,0|2,0,0]=4 1347 B11R1.222 c1cc(c(nc1)Cl)C(=O)CBr AB69728 [0,2,0,0,0,0|2,0,0]=4 1348 B11R1.222 c1ccc(c(c1)C(=O)C#N)Cl MB02595 [0,2,0,0,0,0|1,0,1]=4 1349 B11R1.222 c1ccc(c(c1)C(=O)C=O)Cl AB55316 [0,2,0,0,0,0|1,0,1]=4 1350 B11R1.222 c1ccc(c(c1)C(=O)C=O)F AB49795 [0,2,0,0,0,0|1,0,1]=4 1351 B11R1.87 CC(C)(C)c1c(cccn1)O MB01150 [0,2,0,0,0,0|1,0,1]=4 1352 B11R1.87 CS(=O)(=O)c1c(cccn1)Br MB13952 [0,2,0,0,0,0|1,0,0]=3 1353 B11R1.87 CS(=O)(=O)c1c(nccn1)Cl MB13985 [0,2,0,0,0,0|2,0,0]=4 1354 B11R1.87 C[Si](C)(C)c1c(cccn1)Cl AB43520 [0,2,0,0,0,0|1,1,0]=4 1355 B11R1.87 c1cc(c(nc1)S(=O)(=O)N)O MB25486 [0,2,0,0,0,0|2,0,0]=4 1356 B11R1.87 c1cc(c(nc1)S(=O)(=O)O)Br MB13751 [0,2,0,0,0,0|2,0,0]=4 1357 B11R1.155 CC(C)(C)c1cc(ccn1)N AB09613 [0,2,0,0,0,0|1,0,1]=4 1358 B11R1.155 CC(C)(C)c1cc(ccn1)O MB14971 [0,2,0,0,0,0|1,0,1]=4 1359 B11R1.155 CC(C)(C)c1cccc(n1)Br AB50812 [0,2,0,0,0,0|1,0,1]=4 1360 B11R1.155 CC(C)(c1cccc(n1)Cl)N AB67363 [0,2,0,0,0,0|1,0,1]=4 1361 B11R1.155 CS(=O)(=O)c1cc(ccn1)Br MB13938 [0,2,0,0,0,0|1,0,0]=3 1362 B11R1.155 CS(=O)(=O)c1cc(ncn1)Cl MB13961 [0,2,0,0,0,0|2,0,0]=4 1363 B11R1.155 CS(=O)(=O)c1cccc(c1)I AB07764 [0,2,0,0,0,0|2,0,0]=4 1364 B11R1.155 CS(=O)(=O)c1cccc(n1)Br MB14120 [0,2,0,0,0,0|1,0,0]=3 1365 B11R1.155 CS(=O)(=O)c1nccc(n1)Cl MB07468 [0,2,0,0,0,0|2,0,0]=4 1366 B11R1.155 Cc1cccc(n1)C(C)(C)N AB66956 [0,2,0,0,0,0|1,0,1]=4 1367 B11R1.155 Cc1cccc(n1)S(=O)(=O)Cl AB28631 [0,2,0,0,0,0|2,0,0]=4 1368 B11R1.155 Cc1ccnc(c1)S(=O)(=O)Cl AB28622 [0,2,0,0,0,0|2,0,0]=4 1369 B11R1.155 c1cc(nc(c1)Br)S(=O)(=O)Cl AB64995 [0,2,0,0,0,0|2,0,0]=4 1370 B11R1.155 c1cc(nc(c1)Br)S(=O)(=O)N MB14311 [0,2,0,0,0,0|2,0,0]=4 1371 B11R1.155 c1cc(nc(c1)Br)S(=O)(=O)O MB13726 [0,2,0,0,0,0|2,0,0]=4 1372 B11R1.155 c1cc(nc(c1)Cl)S(=O)(=O)Cl AB64654 [0,2,0,0,0,0|2,0,0]=4 1373 B11R1.155 c1cc(nc(c1)S(=O)(=O)Cl)F AB60355 [0,2,0,0,0,0|2,0,0]=4 1374 B11R1.155 c1cnc(cc1Br)S(=O)(=O)Cl AB64735 [0,2,0,0,0,0|2,0,0]=4 1375 B11R1.155 c1cnc(cc1Br)S(=O)(=O)N MB13941 [0,2,0,0,0,0|2,0,0]=4 1376 B11R1.155 c1cnc(cc1Br)S(=O)(=O)O MB13732 [0,2,0,0,0,0|2,0,0]=4 1377 B11R1.155 c1cnc(cc1Cl)S(=O)(=O)Cl AB68015 [0,2,0,0,0,0|2,0,0]=4 1378 B11R1.155 c1cnc(cc1F)S(=O)(=O)Cl AB68088 [0,2,0,0,0,0|2,0,0]=4 1379 B11R1.53 CC(=O)c1cccnc1OC AB64711 [0,2,0,0,0,0|2,0,0]=4 1380 B11R1.53 CC(=O)c1cnccc1OC AB67883 [0,2,0,0,0,0|2,0,0]=4 1381 B11R1.53 COc1c(nccn1)C(=O)O AB60438 [0,2,0,0,0,0|2,0,0]=4 1382 B11R1.53 COc1cccnc1C(=O)O MB04405 [0,2,0,0,0,0|1,0,0]=3 1383 B11R1.53 COc1cccnc1[N+](=O)[O-] AB04964 [0,2,0,0,0,0|2,0,0]=4 1384 B11R1.53 c1cc(c(nc1)C(=O)N)C#N AB31810 [0,2,0,0,0,0|1,0,0]=3 1385 B11R1.53 c1cc(c(nc1)C(=O)O)C#N AB31808 [0,2,0,0,0,0|1,0,0]=3 1386 B11R1.53 c1cc(c(nc1)[N+](=O)[O-])C=O AB29571 [0,2,0,0,0,0|2,0,0]=4 1387 B11R1.53 c1ccc(c(c1)CCl)C(=O)Cl CB10271 [0,2,0,0,0,0|2,0,0]=4 1388 B11R1.156 CC(=O)c1c(ccnc1Br)N AB83821 [0,2,0,0,0,0|2,0,0]=4 1389 B11R1.156 CC(=O)c1c(ccnc1Br)O AB84219 [0,2,0,0,0,0|2,0,0]=4 1390 B11R1.156 CC(=O)c1c(ccnc1Cl)N AB83824 [0,2,0,0,0,0|2,0,0]=4 1391 B11R1.156 CC(=O)c1c(ccnc1Cl)O AB84222 [0,2,0,0,0,0|2,0,0]=4 1392 B11R1.156 CC(=O)c1c(ccnc1F)Cl AB83199 [0,2,0,0,0,0|2,0,0]=4 1393 B11R1.156 CC(=O)c1c(ccnc1N)O AB84223 [0,2,0,0,0,0|2,0,0]=4 1394 B11R1.156 CC(=O)c1c(ccnc1O)Br AB84232 [0,2,0,0,0,0|2,0,0]=4 1395 B11R1.156 CC(=O)c1c(ccnc1O)Cl AB84233 [0,2,0,0,0,0|2,0,0]=4 1396 B11R1.156 CC(=O)c1c(ccnc1O)N AB84237 [0,2,0,0,0,0|2,0,0]=4 1397 B11R1.156 CC(=O)c1c(cncc1Br)N AB83766 [0,2,0,0,0,0|2,0,0]=4 1398 B11R1.156 CC(=O)c1c(cncc1Br)O AB84134 [0,2,0,0,0,0|2,0,0]=4 1399 B11R1.156 CC(=O)c1c(cncc1Cl)F AB75073 [0,2,0,0,0,0|2,0,0]=4 1400 B11R1.156 CC(=O)c1c(cncc1Cl)N AB83767 [0,2,0,0,0,0|2,0,0]=4 1401 B11R1.156 CC(=O)c1c(cncc1Cl)O AB84135 [0,2,0,0,0,0|2,0,0]=4 1402 B11R1.156 CC(=O)c1c(cncc1N)N AB83770 [0,2,0,0,0,0|2,0,0]=4 1403 B11R1.156 CC(=O)c1c(cncc1O)N AB84138 [0,2,0,0,0,0|2,0,0]=4 1404 B11R1.156 Cc1c(c(ccn1)Cl)C(=O)C AB75127 [0,2,0,0,0,0|2,0,0]=4 1405 B11R1.156 Cc1c(c(ccn1)F)C(=O)C AB83017 [0,2,0,0,0,0|2,0,0]=4 1406 B11R1.156 Cc1c(c(ccn1)N)C(=O)C AB83826 [0,2,0,0,0,0|2,0,0]=4 1407 B11R1.156 Cc1c(c(ccn1)O)C(=O)C AB84225 [0,2,0,0,0,0|2,0,0]=4 1408 B11R1.156 Cc1cccc(c1C(=O)N)O MB23485 [0,2,0,0,0,0|2,0,0]=4 1409 B11R1.156 Cc1cccc(c1C(=O)O)O MB01720 [0,2,0,0,0,0|2,0,0]=4 1410 B11R1.156 Cc1ccnc(c1C(=O)C)C AB76229 [0,2,0,0,0,0|2,0,0]=4 1411 B11R1.156 Cc1ccnc(c1C(=O)C)Cl AB83342 [0,2,0,0,0,0|2,0,0]=4 1412 B11R1.156 Cc1ccnc(c1C(=O)C)F AB41110 [0,2,0,0,0,0|2,0,0]=4 1413 B11R1.156 Cc1ccnc(c1C(=O)C)O AB84238 [0,2,0,0,0,0|2,0,0]=4 1414 B11R1.156 Cc1cncc(c1C(=O)C)C AB76702 [0,2,0,0,0,0|2,0,0]=4 1415 B11R1.156 Cc1cncc(c1C(=O)C)Cl AB75144 [0,2,0,0,0,0|2,0,0]=4 1416 B11R1.156 Cc1cncc(c1C(=O)C)F AB75182 [0,2,0,0,0,0|2,0,0]=4 1417 B11R1.156 Cc1cncc(c1C(=O)C)N AB83771 [0,2,0,0,0,0|2,0,0]=4 1418 B11R1.156 Cc1cncc(c1C(=O)C)O AB84140 [0,2,0,0,0,0|2,0,0]=4 1419 B11R1.156 c1cc(c(c(c1)Br)C(=O)O)Cl MB01394 [0,2,0,0,0,0|2,0,0]=4 1420 B11R1.156 c1cc(c(c(c1)Br)C(=O)O)F PB24723 [0,2,0,0,0,0|2,0,0]=4 1421 B11R1.156 c1cc(c(c(c1)Br)C(=O)O)O MB13463 [0,2,0,0,0,0|2,0,0]=4 1422 B11R1.156 c1cc(c(c(c1)Cl)C(=O)N)O MB31636 [0,2,0,0,0,0|2,0,0]=4 1423 B11R1.156 c1cc(c(c(c1)Cl)C(=O)O)O MB08537 [0,2,0,0,0,0|2,0,0]=4 1424 B11R1.156 c1cc(c(c(c1)F)C(=O)N)O MB25665 [0,2,0,0,0,0|2,0,0]=4 1425 B11R1.156 c1cc(c(c(c1)I)C(=O)N)O MB38290 [0,2,0,0,0,0|2,0,0]=4 1426 B11R1.156 c1cc(c(c(c1)O)C(=O)N)N MB25426 [0,2,0,0,0,0|2,0,0]=4 1427 B11R1.156 c1cc(c(c(c1)O)C(=O)O)N MB25644 [0,2,0,0,0,0|2,0,0]=4 1428 B11R1.159 CC(=O)c1c(c(ccn1)Br)N AB83862 [0,2,0,0,0,0|0,0,0]=2 1429 B11R1.159 CC(=O)c1c(c(ccn1)Br)O AB84339 [0,2,0,0,0,0|0,0,0]=2 1430 B11R1.159 CC(=O)c1c(c(ccn1)Cl)F AB83138 [0,2,0,0,0,0|0,0,0]=2 1431 B11R1.159 CC(=O)c1c(c(ccn1)Cl)N AB83864 [0,2,0,0,0,0|0,0,0]=2 1432 B11R1.159 CC(=O)c1c(c(ccn1)Cl)O AB75015 [0,2,0,0,0,0|0,0,0]=2 1433 B11R1.159 CC(=O)c1c(c(ccn1)F)Cl AB83004 [0,2,0,0,0,0|0,0,0]=2 1434 B11R1.159 CC(=O)c1c(c(ccn1)N)O AB84343 [0,2,0,0,0,0|0,0,0]=2 1435 B11R1.159 CC(=O)c1c(c(ccn1)O)Cl AB75008 [0,2,0,0,0,0|0,0,0]=2 1436 B11R1.159 CC(=O)c1cccc(c1F)Br PB23641 [0,2,0,0,0,0|1,0,0]=3 1437 B11R1.159 CC(=O)c1cccc(c1F)O AB69664 [0,2,0,0,0,0|1,0,0]=3 1438 B11R1.159 CC(=O)c1cccc(c1O)Br AB43855 [0,2,0,0,0,0|1,0,0]=3 1439 B11R1.159 CC(=O)c1ccnc(c1Cl)Cl AB69726 [0,2,0,0,0,0|2,0,0]=4 1440 B11R1.159 CC(=O)c1ccnc(c1Cl)F AB75067 [0,2,0,0,0,0|2,0,0]=4 1441 B11R1.159 CC(=O)c1ccnc(c1Cl)N AB83933 [0,2,0,0,0,0|2,0,0]=4 1442 B11R1.159 CC(=O)c1ccnc(c1Cl)O AB84065 [0,2,0,0,0,0|2,0,0]=4 1443 B11R1.159 CC(=O)c1ccnc(c1F)Cl AB75070 [0,2,0,0,0,0|2,0,0]=4 1444 B11R1.159 CC(=O)c1ccnc(c1N)Br AB83761 [0,2,0,0,0,0|2,0,0]=4 1445 B11R1.159 CC(=O)c1ccnc(c1N)Cl AB14188 [0,2,0,0,0,0|2,0,0]=4 1446 B11R1.159 CC(=O)c1ccnc(c1N)N AB83764 [0,2,0,0,0,0|2,0,0]=4 1447 B11R1.159 CC(=O)c1ccnc(c1O)Br AB84119 [0,2,0,0,0,0|2,0,0]=4 1448 B11R1.159 CC(=O)c1ccnc(c1O)Cl AB74852 [0,2,0,0,0,0|2,0,0]=4 1449 B11R1.159 CC(=O)c1ccnc(c1O)N AB84121 [0,2,0,0,0,0|2,0,0]=4 1450 B11R1.159 CC(=O)c1cncc(c1Cl)F AB83147 [0,2,0,0,0,0|2,0,0]=4 1451 B11R1.159 CC(=O)c1cncc(c1Cl)N AB83878 [0,2,0,0,0,0|2,0,0]=4 1452 B11R1.159 CC(=O)c1cncc(c1Cl)O AB83996 [0,2,0,0,0,0|2,0,0]=4 1453 B11R1.159 CC(=O)c1cncc(c1F)Cl AB82971 [0,2,0,0,0,0|2,0,0]=4 1454 B11R1.159 CC(=O)c1cncc(c1N)Br AB83798 [0,2,0,0,0,0|2,0,0]=4 1455 B11R1.159 CC(=O)c1cncc(c1N)Cl AB83801 [0,2,0,0,0,0|2,0,0]=4 1456 B11R1.159 CC(=O)c1cncc(c1N)N AB83806 [0,2,0,0,0,0|2,0,0]=4 1457 B11R1.159 CC(=O)c1cncc(c1O)Br AB84178 [0,2,0,0,0,0|2,0,0]=4 1458 B11R1.159 CC(=O)c1cncc(c1O)Cl AB84029 [0,2,0,0,0,0|2,0,0]=4 1459 B11R1.159 CC(=O)c1cncc(c1O)N AB84182 [0,2,0,0,0,0|2,0,0]=4 1460 B11R1.159 Cc1c(c(ccn1)C(=O)C)Br AB41128 [0,2,0,0,0,0|2,0,0]=4 1461 B11R1.159 Cc1c(c(ccn1)C(=O)C)Cl AB83308 [0,2,0,0,0,0|2,0,0]=4 1462 B11R1.159 Cc1c(c(ccn1)C(=O)C)N AB41124 [0,2,0,0,0,0|2,0,0]=4 1463 B11R1.159 Cc1c(c(ccn1)C(=O)C)O AB75262 [0,2,0,0,0,0|2,0,0]=4 1464 B11R1.159 Cc1c(cccc1O)C(=O)N MB23343 [0,2,0,0,0,0|2,0,0]=4 1465 B11R1.159 Cc1c(ccnc1C(=O)C)Cl AB75838 [0,2,0,0,0,0|0,0,0]=2 1466 B11R1.159 Cc1c(ccnc1C(=O)C)F AB82924 [0,2,0,0,0,0|0,0,0]=2 1467 B11R1.159 Cc1c(ccnc1C(=O)O)Cl AB52815 [0,2,0,0,0,0|1,0,0]=3 1468 B11R1.159 Cc1c(ccnc1C(=O)O)F AB74897 [0,2,0,0,0,0|1,0,0]=3 1469 B11R1.159 Cc1c(ccnc1Cl)C(=O)C AB74659 [0,2,0,0,0,0|2,0,0]=4 1470 B11R1.159 Cc1c(ccnc1F)C(=O)C AB82852 [0,2,0,0,0,0|2,0,0]=4 1471 B11R1.159 Cc1c(cncc1Cl)C(=O)C AB83284 [0,2,0,0,0,0|2,0,0]=4 1472 B11R1.159 Cc1c(nccc1C(=O)C)C AB55628 [0,2,0,0,0,0|2,0,0]=4 1473 B11R1.159 Cc1cccc(c1N)C(=O)O AB00891 [0,2,0,0,0,0|2,0,0]=4 1474 B11R1.159 Cc1cccc(c1O)C(=O)N MB01077 [0,2,0,0,0,0|2,0,0]=4 1475 B11R1.159 Cc1ccnc(c1C)C(=O)C AB50233 [0,2,0,0,0,0|0,0,0]=2 1476 B11R1.159 Cc1ccnc(c1C)C(=O)O AB75404 [0,2,0,0,0,0|1,0,0]=3 1477 B11R1.159 Cc1ccnc(c1Cl)C(=O)C AB83298 [0,2,0,0,0,0|0,0,0]=2 1478 B11R1.159 Cc1ccnc(c1Cl)C(=O)O AB74922 [0,2,0,0,0,0|1,0,0]=3 1479 B11R1.159 Cc1ccnc(c1N)C(=O)C AB83869 [0,2,0,0,0,0|0,0,0]=2 1480 B11R1.159 Cc1ccnc(c1N)C(=O)O AB66557 [0,2,0,0,0,0|1,0,0]=3 1481 B11R1.159 Cc1ccnc(c1O)C(=O)C AB84344 [0,2,0,0,0,0|0,0,0]=2 1482 B11R1.159 Cc1cncc(c1C)C(=O)C AB75501 [0,2,0,0,0,0|2,0,0]=4 1483 B11R1.159 Cc1cncc(c1Cl)C(=O)C AB83264 [0,2,0,0,0,0|2,0,0]=4 1484 B11R1.159 Cc1cncc(c1F)C(=O)C AB75177 [0,2,0,0,0,0|2,0,0]=4 1485 B11R1.159 Cc1cncc(c1N)C(=O)C AB83808 [0,2,0,0,0,0|2,0,0]=4 1486 B11R1.159 Cc1cncc(c1O)C(=O)C AB84183 [0,2,0,0,0,0|2,0,0]=4 1487 B11R1.159 c1cc(c(c(c1)Br)F)C(=O)O PB18506 [0,2,0,0,0,0|2,0,0]=4 1488 B11R1.159 c1cc(c(c(c1)Br)N)C(=O)O AB15588 [0,2,0,0,0,0|2,0,0]=4 1489 B11R1.159 c1cc(c(c(c1)Br)O)C(=O)N MB00430 [0,2,0,0,0,0|2,0,0]=4 1490 B11R1.159 c1cc(c(c(c1)Cl)F)C(=O)O AB01929 [0,2,0,0,0,0|2,0,0]=4 1491 B11R1.159 c1cc(c(c(c1)Cl)I)C(=O)O AB30453 [0,2,0,0,0,0|2,0,0]=4 1492 B11R1.159 c1cc(c(c(c1)Cl)N)C(=O)O AB03731 [0,2,0,0,0,0|2,0,0]=4 1493 B11R1.159 c1cc(c(c(c1)Cl)O)C(=O)N MB08413 [0,2,0,0,0,0|2,0,0]=4 1494 B11R1.159 c1cc(c(c(c1)F)N)C(=O)O AB09241 [0,2,0,0,0,0|2,0,0]=4 1495 B11R1.159 c1cc(c(c(c1)F)O)C(=O)N MB25617 [0,2,0,0,0,0|2,0,0]=4 1496 B11R1.159 c1cc(c(c(c1)F)O)C(=O)O AB04085 [0,2,0,0,0,0|2,0,0]=4 1497 B11R1.159 c1cc(c(c(c1)I)O)C(=O)N MB33272 [0,2,0,0,0,0|2,0,0]=4 1498 B11R1.159 c1cc(c(c(c1)I)O)C(=O)O MB25549 [0,2,0,0,0,0|2,0,0]=4 1499 B11R1.159 c1cc(c(c(c1)N)O)C(=O)N MB25600 [0,2,0,0,0,0|2,0,0]=4 1500 B11R1.159 c1cc(c(c(c1)N)O)C(=O)O AB01026 [0,2,0,0,0,0|2,0,0]=4 1501 B11R1.159 c1cc(c(c(c1)O)Br)C(=O)O MB08513 [0,2,0,0,0,0|2,0,0]=4 1502 B11R1.159 c1cc(c(c(c1)O)Cl)C(=O)N MB27431 [0,2,0,0,0,0|2,0,0]=4 1503 B11R1.159 c1cc(c(c(c1)O)Cl)C(=O)O AB50521 [0,2,0,0,0,0|2,0,0]=4 1504 B11R1.159 c1cc(c(c(c1)O)F)C(=O)N MB25557 [0,2,0,0,0,0|2,0,0]=4 1505 B11R1.159 c1cc(c(c(c1)O)F)C(=O)O AB10200 [0,2,0,0,0,0|2,0,0]=4 1506 B11R1.159 c1cc(c(c(c1)O)I)C(=O)O MB26583 [0,2,0,0,0,0|2,0,0]=4 1507 B11R1.159 c1cc(c(c(c1)O)N)C(=O)N MB36976 [0,2,0,0,0,0|2,0,0]=4 1508 B11R1.159 c1cnc(c(c1Br)N)C(=O)O AB83572 [0,2,0,0,0,0|1,0,0]=3 1509 B11R1.159 c1cnc(c(c1Cl)Cl)C(=O)O AB10183 [0,2,0,0,0,0|1,0,0]=3 1510 B11R1.159 c1cnc(c(c1Cl)F)C(=O)O AB70765 [0,2,0,0,0,0|1,0,0]=3 1511 B11R1.159 c1cnc(c(c1Cl)N)C(=O)O AB83574 [0,2,0,0,0,0|1,0,0]=3 1512 B11R1.159 c1cnc(c(c1Cl)O)C(=O)O AB76139 [0,2,0,0,0,0|1,0,0]=3 1513 B11R1.159 c1cnc(c(c1F)Cl)C(=O)O AB74915 [0,2,0,0,0,0|1,0,0]=3 1514 B11R1.159 c1cnc(c(c1O)Cl)C(=O)O AB74889 [0,2,0,0,0,0|1,0,0]=3 1515 B11R1.167 CC(=O)c1c(ccc(n1)Br)N AB77136 [0,2,0,0,0,0|0,0,0]=2 1516 B11R1.167 CC(=O)c1c(ccc(n1)Br)O AB84298 [0,2,0,0,0,0|0,0,0]=2 1517 B11R1.167 CC(=O)c1c(ccc(n1)Cl)F AB74842 [0,2,0,0,0,0|0,0,0]=2 1518 B11R1.167 CC(=O)c1c(ccc(n1)Cl)N AB74616 [0,2,0,0,0,0|0,0,0]=2 1519 B11R1.167 CC(=O)c1c(ccc(n1)Cl)O AB74862 [0,2,0,0,0,0|0,0,0]=2 1520 B11R1.167 CC(=O)c1c(ccc(n1)F)N AB77157 [0,2,0,0,0,0|0,0,0]=2 1521 B11R1.167 CC(=O)c1c(ccc(n1)N)O AB76567 [0,2,0,0,0,0|0,0,0]=2 1522 B11R1.167 CC(=O)c1c(ncc(n1)Br)N AB72516 [0,2,0,0,0,0|1,0,0]=3 1523 B11R1.167 CC(=O)c1c(ncc(n1)Cl)Cl AB85729 [0,2,0,0,0,0|1,0,0]=3 1524 B11R1.167 CC(=O)c1c(ncc(n1)Cl)N AB72517 [0,2,0,0,0,0|1,0,0]=3 1525 B11R1.167 CC(=O)c1cc(ccc1Cl)N AB08220 [0,2,0,0,0,0|1,0,0]=3 1526 B11R1.167 CC(=O)c1cc(ccc1F)Br AB64047 [0,2,0,0,0,0|1,0,0]=3 1527 B11R1.167 CC(=O)c1cc(ccc1N)Br MB07776 [0,2,0,0,0,0|1,0,0]=3 1528 B11R1.167 CC(=O)c1cc(ccc1O)Br AB04623 [0,2,0,0,0,0|1,0,0]=3 1529 B11R1.167 CC(=O)c1cc(cnc1Cl)Br PB27914 [0,2,0,0,0,0|2,0,0]=4 1530 B11R1.167 CC(=O)c1cc(cnc1Cl)F AB70474 [0,2,0,0,0,0|2,0,0]=4 1531 B11R1.167 CC(=O)c1cc(cnc1F)Br AB65212 [0,2,0,0,0,0|2,0,0]=4 1532 B11R1.167 CC(=O)c1cc(cnc1F)Cl AB71956 [0,2,0,0,0,0|2,0,0]=4 1533 B11R1.167 CC(=O)c1cc(cnc1N)Br AB69719 [0,2,0,0,0,0|2,0,0]=4 1534 B11R1.167 CC(=O)c1cc(cnc1N)Cl AB69717 [0,2,0,0,0,0|2,0,0]=4 1535 B11R1.167 CC(=O)c1cc(cnc1N)N AB83829 [0,2,0,0,0,0|2,0,0]=4 1536 B11R1.167 CC(=O)c1cc(cnc1O)Br AB70678 [0,2,0,0,0,0|2,0,0]=4 1537 B11R1.167 CC(=O)c1cc(cnc1O)Cl AB72636 [0,2,0,0,0,0|2,0,0]=4 1538 B11R1.167 CC(=O)c1cc(cnc1O)N AB84258 [0,2,0,0,0,0|2,0,0]=4 1539 B11R1.167 CC(=O)c1cc(ncc1F)Cl AB72293 [0,2,0,0,0,0|2,0,0]=4 1540 B11R1.167 CC(=O)c1cc(ncc1N)Br AB83784 [0,2,0,0,0,0|2,0,0]=4 1541 B11R1.167 CC(=O)c1cc(ncc1N)Cl AB76450 [0,2,0,0,0,0|2,0,0]=4 1542 B11R1.167 CC(=O)c1cc(ncc1N)N AB83787 [0,2,0,0,0,0|2,0,0]=4 1543 B11R1.167 CC(=O)c1cc(ncc1O)Br AB69693 [0,2,0,0,0,0|2,0,0]=4 1544 B11R1.167 CC(=O)c1cc(ncc1O)Cl AB69292 [0,2,0,0,0,0|2,0,0]=4 1545 B11R1.167 CC(=O)c1cc(ncc1O)N AB84159 [0,2,0,0,0,0|2,0,0]=4 1546 B11R1.167 Cc1cc(c(cn1)C)C(=O)C AB82531 [0,2,0,0,0,0|2,0,0]=4 1547 B11R1.167 Cc1cc(c(cn1)N)C(=O)C AB83789 [0,2,0,0,0,0|2,0,0]=4 1548 B11R1.167 Cc1cc(c(cn1)O)C(=O)C AB75257 [0,2,0,0,0,0|2,0,0]=4 1549 B11R1.167 Cc1cc(c(nc1)Br)C(=O)C AB85212 [0,2,0,0,0,0|2,0,0]=4 1550 B11R1.167 Cc1cc(c(nc1)C)C(=O)C AB82541 [0,2,0,0,0,0|2,0,0]=4 1551 B11R1.167 Cc1cc(c(nc1)Cl)C(=O)C AB70468 [0,2,0,0,0,0|2,0,0]=4 1552 B11R1.167 Cc1cc(c(nc1)F)C(=O)C AB64670 [0,2,0,0,0,0|2,0,0]=4 1553 B11R1.167 Cc1cc(c(nc1)N)C(=O)C AB75421 [0,2,0,0,0,0|2,0,0]=4 1554 B11R1.167 Cc1cc(c(nc1)O)C(=O)C AB84260 [0,2,0,0,0,0|2,0,0]=4 1555 B11R1.167 Cc1ccc(c(c1)C(=O)N)O MB00262 [0,2,0,0,0,0|2,0,0]=4 1556 B11R1.167 Cc1ccc(c(n1)C(=O)C)N AB42557 [0,2,0,0,0,0|0,0,0]=2 1557 B11R1.167 Cc1ccc(c(n1)C(=O)C)O AB75241 [0,2,0,0,0,0|0,0,0]=2 1558 B11R1.167 Cc1ccc(c(n1)C(=O)O)Br AB41940 [0,2,0,0,0,0|1,0,0]=3 1559 B11R1.167 Cc1ccc(c(n1)C(=O)O)Cl AB68147 [0,2,0,0,0,0|1,0,0]=3 1560 B11R1.167 Cc1ccc(c(n1)C(=O)O)N AB66552 [0,2,0,0,0,0|1,0,0]=3 1561 B11R1.167 Cc1ccc(cc1C(=O)N)O MB23455 [0,2,0,0,0,0|2,0,0]=4 1562 B11R1.167 Cc1ccc(cc1C(=O)O)O CB11294 [0,2,0,0,0,0|2,0,0]=4 1563 B11R1.167 Cc1ccc(nc1C(=O)C)C AB74573 [0,2,0,0,0,0|0,0,0]=2 1564 B11R1.167 Cc1ccc(nc1C(=O)C)Cl AB83230 [0,2,0,0,0,0|0,0,0]=2 1565 B11R1.167 Cc1ccc(nc1C(=O)C)F AB82886 [0,2,0,0,0,0|0,0,0]=2 1566 B11R1.167 Cc1ccc(nc1C(=O)O)C AB65474 [0,2,0,0,0,0|1,0,0]=3 1567 B11R1.167 Cc1ccc(nc1C(=O)O)Cl AB70776 [0,2,0,0,0,0|1,0,0]=3 1568 B11R1.167 Cc1ccc(nc1C(=O)O)F AB70778 [0,2,0,0,0,0|1,0,0]=3 1569 B11R1.167 Cc1cnc(c(n1)C(=O)C)C AB02268 [0,2,0,0,0,0|1,0,0]=3 1570 B11R1.167 Cc1cnc(cc1C(=O)C)Cl AB75136 [0,2,0,0,0,0|2,0,0]=4 1571 B11R1.167 Cc1cnc(cc1C(=O)C)F AB82867 [0,2,0,0,0,0|2,0,0]=4 1572 B11R1.167 Cc1ncc(c(n1)C(=O)O)Br PB33896 [0,2,0,0,0,0|2,0,0]=4 1573 B11R1.167 c1c(nc(c(n1)Cl)C(=O)O)Br AB73166 [0,2,0,0,0,0|2,0,0]=4 1574 B11R1.167 c1c(nc(c(n1)Cl)C(=O)O)Cl AB70505 [0,2,0,0,0,0|2,0,0]=4 1575 B11R1.167 c1c(nc(c(n1)N)C(=O)O)Br AB44798 [0,2,0,0,0,0|2,0,0]=4 1576 B11R1.167 c1c(nc(c(n1)N)C(=O)O)Cl AB60427 [0,2,0,0,0,0|2,0,0]=4 1577 B11R1.167 c1c(nc(c(n1)O)C(=O)N)F PB25591 [0,2,0,0,0,0|2,0,0]=4 1578 B11R1.167 c1c(nc(c(n1)O)C(=O)O)Br AB72520 [0,2,0,0,0,0|2,0,0]=4 1579 B11R1.167 c1cc(c(cc1Br)C(=O)N)N MB03086 [0,2,0,0,0,0|2,0,0]=4 1580 B11R1.167 c1cc(c(cc1Br)C(=O)O)F AB03871 [0,2,0,0,0,0|2,0,0]=4 1581 B11R1.167 c1cc(c(cc1Cl)C(=O)O)F AB06694 [0,2,0,0,0,0|2,0,0]=4 1582 B11R1.167 c1cc(c(cc1F)C(=O)N)O MB12068 [0,2,0,0,0,0|2,0,0]=4 1583 B11R1.167 c1cc(c(cc1F)C(=O)O)Br AB03824 [0,2,0,0,0,0|2,0,0]=4 1584 B11R1.167 c1cc(c(cc1F)C(=O)O)Cl AB04161 [0,2,0,0,0,0|2,0,0]=4 1585 B11R1.167 c1cc(c(cc1I)C(=O)N)O MB04152 [0,2,0,0,0,0|2,0,0]=4 1586 B11R1.167 c1cc(c(cc1I)C(=O)O)Br CB10208 [0,2,0,0,0,0|2,0,0]=4 1587 B11R1.167 c1cc(c(cc1N)C(=O)N)O MB13625 [0,2,0,0,0,0|2,0,0]=4 1588 B11R1.167 c1cc(c(cc1N)C(=O)O)Cl CB10057 [0,2,0,0,0,0|2,0,0]=4 1589 B11R1.167 c1cc(c(cc1O)C(=O)N)Br MB29532 [0,2,0,0,0,0|2,0,0]=4 1590 B11R1.167 c1cc(c(cc1O)C(=O)N)Cl MB35104 [0,2,0,0,0,0|2,0,0]=4 1591 B11R1.167 c1cc(c(cc1O)C(=O)N)F MB36923 [0,2,0,0,0,0|2,0,0]=4 1592 B11R1.167 c1cc(c(cc1O)C(=O)N)I MB32389 [0,2,0,0,0,0|2,0,0]=4 1593 B11R1.167 c1cc(c(cc1O)C(=O)N)N MB13629 [0,2,0,0,0,0|2,0,0]=4 1594 B11R1.167 c1cc(c(cc1O)C(=O)O)Br MB04161 [0,2,0,0,0,0|2,0,0]=4 1595 B11R1.167 c1cc(c(cc1O)C(=O)O)Cl CB10774 [0,2,0,0,0,0|2,0,0]=4 1596 B11R1.167 c1cc(c(cc1O)C(=O)O)I MB01071 [0,2,0,0,0,0|2,0,0]=4 1597 B11R1.167 c1cc(nc(c1Br)C(=O)O)Br AB64851 [0,2,0,0,0,0|1,0,0]=3 1598 B11R1.167 c1cc(nc(c1Br)C(=O)O)Cl AB49770 [0,2,0,0,0,0|1,0,0]=3 1599 B11R1.167 c1cc(nc(c1Cl)C(=O)O)Br AB66789 [0,2,0,0,0,0|1,0,0]=3 1600 B11R1.167 c1cc(nc(c1Cl)C(=O)O)Cl AB03013 [0,2,0,0,0,0|1,0,0]=3 1601 B11R1.167 c1cc(nc(c1F)C(=O)O)Cl AB20963 [0,2,0,0,0,0|1,0,0]=3 1602 B11R1.167 c1cc(nc(c1N)C(=O)N)Cl PB16164 [0,2,0,0,0,0|1,0,0]=3 1603 B11R1.167 c1cc(nc(c1N)C(=O)O)Br AB70529 [0,2,0,0,0,0|1,0,0]=3 1604 B11R1.167 c1cc(nc(c1N)C(=O)O)Cl PB28002 [0,2,0,0,0,0|1,0,0]=3 1605 B11R1.167 c1cc(nc(c1N)C(=O)O)N AB83550 [0,2,0,0,0,0|1,0,0]=3 1606 B11R1.167 c1cc(nc(c1O)[N+](=O)[O-])Br AB50069 [0,2,0,0,0,0|2,0,0]=4 1607 B11R1.74 CC(=O)c1cc(cc(c1)Br)Br AB03014 [0,2,0,0,0,0|1,0,0]=3 1608 B11R1.74 CC(=O)c1cc(cc(c1)Br)Cl AB68467 [0,2,0,0,0,0|1,0,0]=3 1609 B11R1.74 CC(=O)c1cc(cc(c1)Br)F AB64734 [0,2,0,0,0,0|1,0,0]=3 1610 B11R1.74 CC(=O)c1cc(cc(c1)Br)O AB77772 [0,2,0,0,0,0|1,0,0]=3 1611 B11R1.74 CC(=O)c1cc(cc(c1)Cl)Cl AB02007 [0,2,0,0,0,0|1,0,0]=3 1612 B11R1.74 CC(=O)c1cc(cc(c1)Cl)F AB20622 [0,2,0,0,0,0|1,0,0]=3 1613 B11R1.74 CC(=O)c1cc(cc(c1)Cl)O AB66008 [0,2,0,0,0,0|1,0,0]=3 1614 B11R1.74 CC(=O)c1cc(cc(c1)F)F AB01921 [0,2,0,0,0,0|1,0,0]=3 1615 B11R1.74 CC(=O)c1cc(cc(c1)F)O AB70439 [0,2,0,0,0,0|1,0,0]=3 1616 B11R1.74 CC(=O)c1cc(cc(c1)I)Br AB12532 [0,2,0,0,0,0|1,0,0]=3 1617 B11R1.74 CC(=O)c1cc(cc(c1)I)Cl AB77751 [0,2,0,0,0,0|1,0,0]=3 1618 B11R1.74 CC(=O)c1cc(cc(c1)I)F AB77745 [0,2,0,0,0,0|1,0,0]=3 1619 B11R1.74 CC(=O)c1cc(cc(c1)I)I AB77773 [0,2,0,0,0,0|1,0,0]=3 1620 B11R1.74 CC(=O)c1cc(cc(c1)I)O AB77786 [0,2,0,0,0,0|1,0,0]=3 1621 B11R1.74 CC(=O)c1cc(cc(c1)O)O AB00220 [0,2,0,0,0,0|1,0,0]=3 1622 B11R1.74 CC(=O)c1cc(cc(n1)Br)Br AB68243 [0,2,0,0,0,0|0,0,0]=2 1623 B11R1.74 CC(=O)c1cc(cc(n1)Br)Cl AB68237 [0,2,0,0,0,0|0,0,0]=2 1624 B11R1.74 CC(=O)c1cc(cc(n1)Br)F AB79777 [0,2,0,0,0,0|0,0,0]=2 1625 B11R1.74 CC(=O)c1cc(cc(n1)Br)I AB79648 [0,2,0,0,0,0|0,0,0]=2 1626 B11R1.74 CC(=O)c1cc(cc(n1)Br)O AB79666 [0,2,0,0,0,0|0,0,0]=2 1627 B11R1.74 CC(=O)c1cc(cc(n1)Cl)Br AB68228 [0,2,0,0,0,0|0,0,0]=2 1628 B11R1.74 CC(=O)c1cc(cc(n1)Cl)Cl AB62521 [0,2,0,0,0,0|0,0,0]=2 1629 B11R1.74 CC(=O)c1cc(cc(n1)Cl)F AB79774 [0,2,0,0,0,0|0,0,0]=2 1630 B11R1.74 CC(=O)c1cc(cc(n1)Cl)I AB79638 [0,2,0,0,0,0|0,0,0]=2 1631 B11R1.74 CC(=O)c1cc(cc(n1)Cl)O AB74857 [0,2,0,0,0,0|0,0,0]=2 1632 B11R1.74 CC(=O)c1cc(cc(n1)F)Br AB79614 [0,2,0,0,0,0|0,0,0]=2 1633 B11R1.74 CC(=O)c1cc(cc(n1)F)Cl AB79613 [0,2,0,0,0,0|0,0,0]=2 1634 B11R1.74 CC(=O)c1cc(cc(n1)F)F AB79610 [0,2,0,0,0,0|0,0,0]=2 1635 B11R1.74 CC(=O)c1cc(cc(n1)F)I AB79616 [0,2,0,0,0,0|0,0,0]=2 1636 B11R1.74 CC(=O)c1cc(cc(n1)F)O AB79636 [0,2,0,0,0,0|0,0,0]=2 1637 B11R1.74 CC(=O)c1cc(cc(n1)I)Br AB79811 [0,2,0,0,0,0|0,0,0]=2 1638 B11R1.74 CC(=O)c1cc(cc(n1)I)Cl AB79804 [0,2,0,0,0,0|0,0,0]=2 1639 B11R1.74 CC(=O)c1cc(cc(n1)I)F AB79779 [0,2,0,0,0,0|0,0,0]=2 1640 B11R1.74 CC(=O)c1cc(cc(n1)I)O AB79689 [0,2,0,0,0,0|0,0,0]=2 1641 B11R1.74 CC(=O)c1cc(cc(n1)O)Br AB79829 [0,2,0,0,0,0|0,0,0]=2 1642 B11R1.74 CC(=O)c1cc(cc(n1)O)Cl AB79810 [0,2,0,0,0,0|0,0,0]=2 1643 B11R1.74 CC(=O)c1cc(cc(n1)O)F AB79802 [0,2,0,0,0,0|0,0,0]=2 1644 B11R1.74 CC(=O)c1cc(cc(n1)O)I AB79848 [0,2,0,0,0,0|0,0,0]=2 1645 B11R1.74 CC(=O)c1cc(cc(n1)O)O AB79772 [0,2,0,0,0,0|0,0,0]=2 1646 B11R1.74 CC(=O)c1cc(nc(c1)Br)Br AB76676 [0,2,0,0,0,0|2,0,0]=4 1647 B11R1.74 CC(=O)c1cc(nc(c1)Br)Cl AB79921 [0,2,0,0,0,0|2,0,0]=4 1648 B11R1.74 CC(=O)c1cc(nc(c1)Br)F AB79906 [0,2,0,0,0,0|2,0,0]=4 1649 B11R1.74 CC(=O)c1cc(nc(c1)Br)O AB79941 [0,2,0,0,0,0|2,0,0]=4 1650 B11R1.74 CC(=O)c1cc(nc(c1)Cl)Cl AB64667 [0,2,0,0,0,0|2,0,0]=4 1651 B11R1.74 CC(=O)c1cc(nc(c1)Cl)F AB79904 [0,2,0,0,0,0|2,0,0]=4 1652 B11R1.74 CC(=O)c1cc(nc(c1)Cl)N AB74571 [0,2,0,0,0,0|2,0,0]=4 1653 B11R1.74 CC(=O)c1cc(nc(c1)Cl)O AB79929 [0,2,0,0,0,0|2,0,0]=4 1654 B11R1.74 CC(=O)c1cc(nc(c1)F)N AB79914 [0,2,0,0,0,0|2,0,0]=4 1655 B11R1.74 CC(=O)c1cc(nc(c1)F)O AB79919 [0,2,0,0,0,0|2,0,0]=4 1656 B11R1.74 CC(=O)c1cc(nc(c1)I)Br AB79930 [0,2,0,0,0,0|2,0,0]=4 1657 B11R1.74 CC(=O)c1cc(nc(c1)I)Cl AB79922 [0,2,0,0,0,0|2,0,0]=4 1658 B11R1.74 CC(=O)c1cc(nc(c1)I)O AB79958 [0,2,0,0,0,0|2,0,0]=4 1659 B11R1.74 CC(=O)c1cc(nc(c1)O)O AB80025 [0,2,0,0,0,0|2,0,0]=4 1660 B11R1.74 CC(=O)c1cc(nc(n1)Cl)Cl AB76961 [0,2,0,0,0,0|1,0,0]=3 1661 B11R1.74 CC(=O)c1cc(nc(n1)N)Cl AB77135 [0,2,0,0,0,0|1,0,0]=3 1662 B11R1.74 Cc1cc(cc(c1)Br)C(=O)C AB76200 [0,2,0,0,0,0|1,0,0]=3 1663 B11R1.74 Cc1cc(cc(c1)Br)C(=O)O AB12648 [0,2,0,0,0,0|2,0,0]=4 1664 B11R1.74 Cc1cc(cc(c1)C(=O)C)C AB08165 [0,2,0,0,0,0|1,0,0]=3 1665 B11R1.74 Cc1cc(cc(c1)C(=O)O)C AB00235 [0,2,0,0,0,0|2,0,0]=4 1666 B11R1.74 Cc1cc(cc(c1)Cl)C(=O)C AB64283 [0,2,0,0,0,0|1,0,0]=3 1667 B11R1.74 Cc1cc(cc(c1)Cl)C(=O)O AB62676 [0,2,0,0,0,0|2,0,0]=4 1668 B11R1.74 Cc1cc(cc(c1)F)C(=O)C AB20635 [0,2,0,0,0,0|1,0,0]=3 1669 B11R1.74 Cc1cc(cc(c1)F)C(=O)O AB13316 [0,2,0,0,0,0|2,0,0]=4 1670 B11R1.74 Cc1cc(cc(c1)I)C(=O)C AB71471 [0,2,0,0,0,0|1,0,0]=3 1671 B11R1.74 Cc1cc(cc(c1)I)C(=O)O AB62677 [0,2,0,0,0,0|2,0,0]=4 1672 B11R1.74 Cc1cc(cc(c1)N)C(=O)O AB04836 [0,2,0,0,0,0|2,0,0]=4 1673 B11R1.74 Cc1cc(cc(c1)O)C(=O)C AB16910 [0,2,0,0,0,0|1,0,0]=3 1674 B11R1.74 Cc1cc(cc(c1)O)C(=O)N MB23370 [0,2,0,0,0,0|2,0,0]=4 1675 B11R1.74 Cc1cc(cc(c1)O)C(=O)O AB52735 [0,2,0,0,0,0|2,0,0]=4 1676 B11R1.74 Cc1cc(cc(n1)Br)C(=O)C AB79932 [0,2,0,0,0,0|2,0,0]=4 1677 B11R1.74 Cc1cc(cc(n1)C(=O)C)Br AB68173 [0,2,0,0,0,0|0,0,0]=2 1678 B11R1.74 Cc1cc(cc(n1)C(=O)C)Cl AB66887 [0,2,0,0,0,0|0,0,0]=2 1679 B11R1.74 Cc1cc(cc(n1)C(=O)C)F AB79784 [0,2,0,0,0,0|0,0,0]=2 1680 B11R1.74 Cc1cc(cc(n1)C(=O)C)I AB79831 [0,2,0,0,0,0|0,0,0]=2 1681 B11R1.74 Cc1cc(cc(n1)C(=O)C)O AB79719 [0,2,0,0,0,0|0,0,0]=2 1682 B11R1.74 Cc1cc(cc(n1)C(=O)O)Br AB40781 [0,2,0,0,0,0|1,0,0]=3 1683 B11R1.74 Cc1cc(cc(n1)C(=O)O)Cl AB40799 [0,2,0,0,0,0|1,0,0]=3 1684 B11R1.74 Cc1cc(cc(n1)C(=O)O)F AB66868 [0,2,0,0,0,0|1,0,0]=3 1685 B11R1.74 Cc1cc(cc(n1)C(=O)O)I AB79386 [0,2,0,0,0,0|1,0,0]=3 1686 B11R1.74 Cc1cc(cc(n1)C(=O)O)N AB66550 [0,2,0,0,0,0|1,0,0]=3 1687 B11R1.74 Cc1cc(cc(n1)C(=O)O)O AB74941 [0,2,0,0,0,0|1,0,0]=3 1688 B11R1.74 Cc1cc(cc(n1)C)C(=O)C AB31118 [0,2,0,0,0,0|2,0,0]=4 1689 B11R1.74 Cc1cc(cc(n1)Cl)C(=O)C AB66888 [0,2,0,0,0,0|2,0,0]=4 1690 B11R1.74 Cc1cc(cc(n1)F)C(=O)C AB79910 [0,2,0,0,0,0|2,0,0]=4 1691 B11R1.74 Cc1cc(cc(n1)I)C(=O)C AB79945 [0,2,0,0,0,0|2,0,0]=4 1692 B11R1.74 Cc1cc(cc(n1)O)C(=O)C AB79988 [0,2,0,0,0,0|2,0,0]=4 1693 B11R1.74 Cc1cc(nc(c1)Br)C(=O)C AB79653 [0,2,0,0,0,0|0,0,0]=2 1694 B11R1.74 Cc1cc(nc(c1)Br)C(=O)O AB67817 [0,2,0,0,0,0|1,0,0]=3 1695 B11R1.74 Cc1cc(nc(c1)C(=O)C)C AB31120 [0,2,0,0,0,0|0,0,0]=2 1696 B11R1.74 Cc1cc(nc(c1)C(=O)O)C AB17859 [0,2,0,0,0,0|1,0,0]=3 1697 B11R1.74 Cc1cc(nc(c1)Cl)C(=O)C AB75104 [0,2,0,0,0,0|0,0,0]=2 1698 B11R1.74 Cc1cc(nc(c1)Cl)C(=O)O AB52811 [0,2,0,0,0,0|1,0,0]=3 1699 B11R1.74 Cc1cc(nc(c1)Cl)C(C)C AB63918 [0,2,0,0,0,0|1,0,1]=4 1700 B11R1.74 Cc1cc(nc(c1)F)C(=O)C AB79620 [0,2,0,0,0,0|0,0,0]=2 1701 B11R1.74 Cc1cc(nc(c1)F)C(=O)O AB67821 [0,2,0,0,0,0|1,0,0]=3 1702 B11R1.74 Cc1cc(nc(c1)I)C(=O)C AB79670 [0,2,0,0,0,0|0,0,0]=2 1703 B11R1.74 Cc1cc(nc(c1)I)C(=O)O AB79260 [0,2,0,0,0,0|1,0,0]=3 1704 B11R1.74 Cc1cc(nc(c1)N)C(=O)O AB67823 [0,2,0,0,0,0|1,0,0]=3 1705 B11R1.74 Cc1cc(nc(c1)O)C(=O)C AB79873 [0,2,0,0,0,0|0,0,0]=2 1706 B11R1.74 Cc1cc(nc(c1)O)C(=O)O AB13099 [0,2,0,0,0,0|1,0,0]=3 1707 B11R1.74 Cc1cc(nc(c1)O)C(C)C AB63914 [0,2,0,0,0,0|1,0,1]=4 1708 B11R1.74 Cc1cc(nc(n1)Cl)C(=O)O AB07382 [0,2,0,0,0,0|2,0,0]=4 1709 B11R1.74 c1c(cc(cc1Br)Br)C(=O)O AB02139 [0,2,0,0,0,0|2,0,0]=4 1710 B11R1.74 c1c(cc(cc1Br)I)C(=O)O AB04625 [0,2,0,0,0,0|2,0,0]=4 1711 B11R1.74 c1c(cc(cc1Cl)Br)C(=O)O AB29578 [0,2,0,0,0,0|2,0,0]=4 1712 B11R1.74 c1c(cc(cc1Cl)Cl)C(=O)O AB00229 [0,2,0,0,0,0|2,0,0]=4 1713 B11R1.74 c1c(cc(cc1Cl)I)C(=O)O AB06860 [0,2,0,0,0,0|2,0,0]=4 1714 B11R1.74 c1c(cc(cc1F)Br)C(=O)O AB09246 [0,2,0,0,0,0|2,0,0]=4 1715 B11R1.74 c1c(cc(cc1F)Cl)C(=O)O AB07872 [0,2,0,0,0,0|2,0,0]=4 1716 B11R1.74 c1c(cc(cc1F)F)C(=O)O AB01033 [0,2,0,0,0,0|2,0,0]=4 1717 B11R1.74 c1c(cc(cc1F)I)C(=O)O AB20696 [0,2,0,0,0,0|2,0,0]=4 1718 B11R1.74 c1c(cc(cc1I)I)C(=O)O AB06171 [0,2,0,0,0,0|2,0,0]=4 1719 B11R1.74 c1c(cc(cc1N)Br)C(=O)O AB04992 [0,2,0,0,0,0|2,0,0]=4 1720 B11R1.74 c1c(cc(cc1N)Cl)C(=O)O AB11542 [0,2,0,0,0,0|2,0,0]=4 1721 B11R1.74 c1c(cc(cc1N)F)C(=O)O AB42533 [0,2,0,0,0,0|2,0,0]=4 1722 B11R1.74 c1c(cc(cc1N)I)C(=O)O AB02789 [0,2,0,0,0,0|2,0,0]=4 1723 B11R1.74 c1c(cc(cc1N)N)C(=O)O AB00898 [0,2,0,0,0,0|2,0,0]=4 1724 B11R1.74 c1c(cc(cc1N)O)C(=O)N MB25638 [0,2,0,0,0,0|2,0,0]=4 1725 B11R1.74 c1c(cc(cc1N)O)C(=O)O AB29674 [0,2,0,0,0,0|2,0,0]=4 1726 B11R1.74 c1c(cc(cc1O)Br)C(=O)N MB25408 [0,2,0,0,0,0|2,0,0]=4 1727 B11R1.74 c1c(cc(cc1O)Br)C(=O)O AB29744 [0,2,0,0,0,0|2,0,0]=4 1728 B11R1.74 c1c(cc(cc1O)Cl)C(=O)O AB18080 [0,2,0,0,0,0|2,0,0]=4 1729 B11R1.74 c1c(cc(cc1O)F)C(=O)N MB34061 [0,2,0,0,0,0|2,0,0]=4 1730 B11R1.74 c1c(cc(cc1O)F)C(=O)O AB64637 [0,2,0,0,0,0|2,0,0]=4 1731 B11R1.74 c1c(cc(cc1O)I)C(=O)N MB13459 [0,2,0,0,0,0|2,0,0]=4 1732 B11R1.74 c1c(cc(cc1O)I)C(=O)O AB02791 [0,2,0,0,0,0|2,0,0]=4 1733 B11R1.74 c1c(cc(cc1O)O)C(=O)O AB00234 [0,2,0,0,0,0|2,0,0]=4 1734 B11R1.74 c1c(cc(nc1C(=O)O)Br)Br AB68240 [0,2,0,0,0,0|1,0,0]=3 1735 B11R1.74 c1c(cc(nc1C(=O)O)Br)Cl AB67261 [0,2,0,0,0,0|1,0,0]=3 1736 B11R1.74 c1c(cc(nc1C(=O)O)Br)F AB68040 [0,2,0,0,0,0|1,0,0]=3 1737 B11R1.74 c1c(cc(nc1C(=O)O)Br)I AB79249 [0,2,0,0,0,0|1,0,0]=3 1738 B11R1.74 c1c(cc(nc1C(=O)O)Br)N AB67264 [0,2,0,0,0,0|1,0,0]=3 1739 B11R1.74 c1c(cc(nc1C(=O)O)Br)O AB79257 [0,2,0,0,0,0|1,0,0]=3 1740 B11R1.74 c1c(cc(nc1C(=O)O)Cl)Br AB67958 [0,2,0,0,0,0|1,0,0]=3 1741 B11R1.74 c1c(cc(nc1C(=O)O)Cl)Cl AB55079 [0,2,0,0,0,0|1,0,0]=3 1742 B11R1.74 c1c(cc(nc1C(=O)O)Cl)F AB68036 [0,2,0,0,0,0|1,0,0]=3 1743 B11R1.74 c1c(cc(nc1C(=O)O)Cl)I AB79242 [0,2,0,0,0,0|1,0,0]=3 1744 B11R1.74 c1c(cc(nc1C(=O)O)Cl)N AB67311 [0,2,0,0,0,0|1,0,0]=3 1745 B11R1.74 c1c(cc(nc1C(=O)O)Cl)O AB68127 [0,2,0,0,0,0|1,0,0]=3 1746 B11R1.74 c1c(cc(nc1C(=O)O)F)Br AB72835 [0,2,0,0,0,0|1,0,0]=3 1747 B11R1.74 c1c(cc(nc1C(=O)O)F)Cl AB74912 [0,2,0,0,0,0|1,0,0]=3 1748 B11R1.74 c1c(cc(nc1C(=O)O)F)F AB49324 [0,2,0,0,0,0|1,0,0]=3 1749 B11R1.74 c1c(cc(nc1C(=O)O)F)I AB79224 [0,2,0,0,0,0|1,0,0]=3 1750 B11R1.74 c1c(cc(nc1C(=O)O)F)N AB79232 [0,2,0,0,0,0|1,0,0]=3 1751 B11R1.74 c1c(cc(nc1C(=O)O)F)O AB79240 [0,2,0,0,0,0|1,0,0]=3 1752 B11R1.74 c1c(cc(nc1C(=O)O)I)Br AB79372 [0,2,0,0,0,0|1,0,0]=3 1753 B11R1.74 c1c(cc(nc1C(=O)O)I)Cl AB79366 [0,2,0,0,0,0|1,0,0]=3 1754 B11R1.74 c1c(cc(nc1C(=O)O)I)F AB79347 [0,2,0,0,0,0|1,0,0]=3 1755 B11R1.74 c1c(cc(nc1C(=O)O)I)N AB79262 [0,2,0,0,0,0|1,0,0]=3 1756 B11R1.74 c1c(cc(nc1C(=O)O)I)O AB79273 [0,2,0,0,0,0|1,0,0]=3 1757 B11R1.74 c1c(cc(nc1C(=O)O)N)Br AB71729 [0,2,0,0,0,0|1,0,0]=3 1758 B11R1.74 c1c(cc(nc1C(=O)O)N)Cl AB67977 [0,2,0,0,0,0|1,0,0]=3 1759 B11R1.74 c1c(cc(nc1C(=O)O)N)F AB79355 [0,2,0,0,0,0|1,0,0]=3 1760 B11R1.74 c1c(cc(nc1C(=O)O)N)I AB79390 [0,2,0,0,0,0|1,0,0]=3 1761 B11R1.74 c1c(cc(nc1C(=O)O)N)N AB79332 [0,2,0,0,0,0|1,0,0]=3 1762 B11R1.74 c1c(cc(nc1C(=O)O)N)O AB79330 [0,2,0,0,0,0|1,0,0]=3 1763 B11R1.74 c1c(cc(nc1C(=O)O)O)Br AB79382 [0,2,0,0,0,0|1,0,0]=3 1764 B11R1.74 c1c(cc(nc1C(=O)O)O)F AB79365 [0,2,0,0,0,0|1,0,0]=3 1765 B11R1.74 c1c(cc(nc1C(=O)O)O)I AB79403 [0,2,0,0,0,0|1,0,0]=3 1766 B11R1.74 c1c(cc(nc1C(=O)O)O)N AB79465 [0,2,0,0,0,0|1,0,0]=3 1767 B11R1.74 c1c(cc(nc1C(=O)O)O)O AB76498 [0,2,0,0,0,0|1,0,0]=3 1768 B11R1.74 c1c(nc(nc1Cl)Cl)C(=O)Cl AB45257 [0,2,0,0,0,0|2,0,0]=4 1769 B11R1.74 c1c(nc(nc1Cl)Cl)C(=O)O AB12755 [0,2,0,0,0,0|2,0,0]=4 1770 B11R1.266 B(=O)c1cccc(c1)C(=O)Cl AB30050 [0,2,0,0,0,0|2,0,0]=4 1771 B11R1.266 CC(=O)c1cc(ccn1)C#N AB30645 [0,2,0,0,0,0|0,0,0]=2 1772 B11R1.266 CC(=O)c1cc(ccn1)OC AB60202 [0,2,0,0,0,0|0,0,0]=2 1773 B11R1.266 CC(=O)c1cc(cnc1)C#N AB50231 [0,2,0,0,0,0|2,0,0]=4 1774 B11R1.266 CC(=O)c1cc(cnc1)OC AB41130 [0,2,0,0,0,0|2,0,0]=4 1775 B11R1.266 CC(=O)c1cc(ncn1)OC AB76963 [0,2,0,0,0,0|1,0,0]=3 1776 B11R1.266 CC(=O)c1cccc(c1)C#C AB21440 [0,2,0,0,0,0|1,0,0]=3 1777 B11R1.266 CC(=O)c1cccc(n1)C#N AB50229 [0,2,0,0,0,0|0,0,0]=2 1778 B11R1.266 CC(=O)c1cccc(n1)CBr AB60305 [0,2,0,0,0,0|0,0,0]=2 1779 B11R1.266 CC(=O)c1cccc(n1)CCl AB59962 [0,2,0,0,0,0|0,0,0]=2 1780 B11R1.266 CC(=O)c1cccc(n1)CO AB49267 [0,2,0,0,0,0|0,0,0]=2 1781 B11R1.266 CC(=O)c1cccc(n1)OC AB44858 [0,2,0,0,0,0|0,0,0]=2 1782 B11R1.266 CC(=O)c1ccnc(c1)C#N AB25373 [0,2,0,0,0,0|2,0,0]=4 1783 B11R1.266 CC(=O)c1ccnc(c1)OC AB60316 [0,2,0,0,0,0|2,0,0]=4 1784 B11R1.266 CC(=O)c1ccnc(n1)OC AB76951 [0,2,0,0,0,0|1,0,0]=3 1785 B11R1.266 CC(C)c1cccc(n1)C#N PB25679 [0,2,0,0,0,0|1,0,1]=4 1786 B11R1.266 CC(c1cccc(n1)OC)N AB67101 [0,2,0,0,0,0|1,0,1]=4 1787 B11R1.266 CN(C)c1cc(ccn1)C=O AB62865 [0,2,0,0,0,0|2,0,0]=4 1788 B11R1.266 CN(C)c1cc(ccn1)CCl AB59914 [0,2,0,0,0,0|2,0,0]=4 1789 B11R1.266 CN(C)c1cc(ccn1)CN AB51105 [0,2,0,0,0,0|2,0,0]=4 1790 B11R1.266 CN(C)c1cccc(n1)C=O AB62863 [0,2,0,0,0,0|2,0,0]=4 1791 B11R1.266 CN(C)c1cccc(n1)CCl AB59980 [0,2,0,0,0,0|2,0,0]=4 1792 B11R1.266 CN(C)c1cccc(n1)CN AB67485 [0,2,0,0,0,0|2,0,0]=4 1793 B11R1.266 COc1cccc(n1)C(=O)N AB43417 [0,2,0,0,0,0|1,0,0]=3 1794 B11R1.266 COc1cccc(n1)C(=O)O AB29993 [0,2,0,0,0,0|1,0,0]=3 1795 B11R1.266 COc1ccnc(c1)C(=O)N AB07772 [0,2,0,0,0,0|1,0,0]=3 1796 B11R1.266 COc1ccnc(c1)C(=O)O AB20458 [0,2,0,0,0,0|1,0,0]=3 1797 B11R1.266 COc1ccnc(c1)C(=O)O AB21831 [0,2,0,0,0,0|1,0,0]=3 1798 B11R1.266 COc1cncc(n1)C(=O)O AB05020 [0,2,0,0,0,0|2,0,0]=4 1799 B11R1.266 c1cc(nc(c1)C(=O)O)C#N AB56397 [0,2,0,0,0,0|1,0,0]=3 1800 B11R1.266 c1cc(nc(c1)C(=O)O)CN AB25598 [0,2,0,0,0,0|1,0,0]=3 1801 B11R1.266 c1cnc(cc1C#N)C(=O)O AB49710 [0,2,0,0,0,0|1,0,0]=3 1802 B11R2.10 CC1=NC2=C(=C1)C=CC=N2 PB17562 [0,0,0,1,0,1|1,0,1]=4 1803 B11R2.10 CC1=NC2=C(=N1)C=CC=C2 AB00442 [0,0,0,1,0,1|2,0,0]=4 1804 B11R2.10 CC1=NC2=C(=N1)C=CC=N2 AB26094 [0,0,0,1,0,1|1,0,1]=4 1805 B11R2.10 Cc1cc2ncccn2n1 AB44285 [0,0,0,1,0,1|2,0,0]=4 1806 B11R2.10 Cc1cn2ccccc2n1 MB02386 [0,0,0,1,0,1|1,0,1]=4 1807 B11R2.10 Cc1nc2c(o1)cccn2 AB21689 [0,0,0,1,0,1|0,0,1]=3 1808 B11R2.10 c1c2c(ncn1)NC(=O)C2 PB13160 [0,0,0,1,0,1|1,0,0]=3 1809 B11R2.10 c1cc2=NC(=O)N=c2nc1 AB06227 [0,0,0,1,0,1|1,0,0]=3 1810 B11R2.10 c1cc2c(nc1)CC(=O)N2 PB29192 [0,0,0,1,0,1|1,0,0]=3 1811 B11R2.10 c1cc2c(nc1)NC(=O)C2 PB29419 [0,0,0,1,0,1|0,0,0]=2 1812 B11R2.10 c1cc2c(nc1)nc(o2)Cl AB63474 [0,0,0,1,0,1|1,0,1]=4 1813 B11R2.10 c1cc2c(nc1)nc(o2)N AB63475 [0,0,0,1,0,1|1,0,1]=4 1814 B11R2.10 c1cc2c(nc1)nc(s2)S AB04817 [0,0,0,1,0,1|1,1,0]=4 1815 B11R2.10 c1cc2c(nc1)oc(n2)S AB65959 [0,0,0,1,0,1|1,1,0]=4 1816 B11R2.10 c1cc2c(nc1)sc(n2)Br MB05754 [0,0,0,1,0,1|2,0,0]=4 1817 B11R2.10 c1cc2c(nc1)sc(n2)Cl AB69999 [0,0,0,1,0,1|2,0,0]=4 1818 B11R2.10 c1cc2c(nc1)sc(n2)N AB04928 [0,0,0,1,0,1|2,0,0]=4 1819 B11R2.10 c1cc2c(nc1)sc(n2)S AB04404 [0,0,0,1,0,1|1,1,0]=4 1820 B11R2.10 c1ccc2c(c1)CC(=O)N2 AB00523 [0,0,0,1,0,1|1,0,0]=3 1821 B11R2.10 c1cncc2c1CC(=O)N2 PB19637 [0,0,0,1,0,1|2,0,0]=4 1822 B11R2.10 c1cncc2c1NC(=O)C2 PB17659 [0,0,0,1,0,1|2,0,0]=4 1823 B11R2.238 c1ccnc(c1)OC2CC2 MB19961 [0,0,0,1,0,1|1,0,1]=4 1824 B11R2.34 c1cc(ncc1Br)C2CC2 AB65328 [0,1,0,1,0,0|1,0,1]=4 1825 B11R2.1 CC1=NN=C2=C1C=CC=C2 PB32213 [0,1,0,1,0,0|2,0,0]=4 1826 B11R2.1 CC1=NN=C2=CC=CN=C12 PB27871 [0,1,0,1,0,0|1,0,1]=4 1827 B11R2.1 Cn1ccc2c1nccc2 AB51139 [0,1,0,1,0,0|2,0,0]=4 1828 B11R2.1 c1cc2c(c(cs2)Br)nc1 PB28335 [0,1,0,1,0,0|1,0,1]=4 1829 B11R2.1 c1cc2c(c(no2)N)nc1 PB21304 [0,1,0,1,0,0|1,0,1]=4 1830 B11R2.1 c1cc2c(nc1)C(=O)OC2 AB66596 [0,1,0,1,0,0|0,0,0]=2 1831 B11R2.1 c1cc2c(nc1)CCC2=O PB12461 [0,1,0,1,0,0|2,0,0]=4 1832 B11R2.1 c1cc2c(nc1)OCC2=O AB70107 [0,1,0,1,0,0|2,0,0]=4 1833 B11R2.1 c1ccc2c(c1)C(=O)CO2 AB02144 [0,1,0,1,0,0|1,0,0]=3 1834 B11R2.1 c1ccc2c(c1)C(=O)N=N2 MB00163 [0,1,0,1,0,0|2,0,0]=4 1835 B11R2.1 c1ccc2c(c1)CNC2=O AB13096 [0,1,0,1,0,0|1,0,0]=3 1836 B11R2.1 c1cncc2c1C(=O)NC2 AB66595 [0,1,0,1,0,0|2,0,0]=4 1837 B11R2.1 c1cncc2c1CNC2=O PB33122 [0,1,0,1,0,0|2,0,0]=4 1838 B11R2.40 c1ccnc(c1)C2(CC2)N AB43090 [0,1,0,1,0,0|1,0,1]=4 1839 B11R2.35 c1cc(nc(c1)Br)C2CC2 MB09481 [0,1,0,1,0,0|1,0,1]=4 1840 B7R1.1 C1=NC=NC1C=O PB14141 [1,0,0,0,1,0|1,0,1]=4 1841 B7R1.1 C1C=C(C=N1)C=O AB15013 [1,0,0,0,1,0|1,0,1]=4 1842 B7R1.1 C1C=C(N=N1)C=O AB25611 [1,0,0,0,1,0|1,0,1]=4 1843 B7R1.1 C1C=CN=C1C=O AB00388 [1,0,0,0,1,0|0,0,1]=3 1844 B7R1.1 COc1nccs1 AB09330 [1,0,0,0,1,0|2,0,0]=4 1845 B7R1.1 c1[nH]c(nn1)C=O AB48516 [1,0,0,0,1,0|2,0,0]=4 1846 B7R1.1 c1[nH]nc(n1)C=O AB63486 [1,0,0,0,1,0|2,0,0]=4 1847 B7R1.1 c1c(con1)C=O AB11289 [1,0,0,0,1,0|2,0,0]=4 1848 B7R1.1 c1c(csn1)C=O AB62620 [1,0,0,0,1,0|2,0,0]=4 1849 B7R1.1 c1c(nco1)C=O PB23292 [1,0,0,0,1,0|1,0,0]=3 1850 B7R1.1 c1c(ncs1)C=O AB06592 [1,0,0,0,1,0|1,0,0]=3 1851 B7R1.1 c1c(ocn1)C=O AB11283 [1,0,0,0,1,0|2,0,0]=4 1852 B7R1.1 c1c(scn1)C=O AB11293 [1,0,0,0,1,0|2,0,0]=4 1853 B7R1.1 c1cn(nn1)C=O MB06576 [1,0,0,0,1,0|2,0,0]=4 1854 B7R1.1 c1cnsc1C=O AB32448 [1,0,0,0,1,0|2,0,0]=4 1855 B7R1.1 c1coc(n1)C=O AB14413 [1,0,0,0,1,0|1,0,0]=3 1856 B7R1.1 c1conc1C=O PB26237 [1,0,0,0,1,0|1,0,0]=3 1857 B7R1.1 c1csc(n1)C=O PB12109 [1,0,0,0,1,0|1,0,0]=3 1858 B7R1.1 c1cscc1C=O PB14065 [1,0,0,0,1,0|1,0,0]=3 1859 B11R1.91 CC(=O)OCc1cccnc1 AB49310 [0,0,0,0,0,2|2,0,0]=4 1860 B11R1.91 CC(=O)\C=C\c1ccccc1 CB10061 [0,0,0,0,0,2|1,0,0]=3 1861 B11R1.91 c1cnc(nc1)NCC(=O)O AB12962 [0,0,0,0,0,2|2,0,0]=4