0 B9R1.6 B(c1cccnc1)(O)O AB17635 [0,0,0,0,0,0|2,0,1]=3 1 B9R1.6 B(c1cccnc1)(O)O PB14187 [0,0,0,0,0,0|2,0,1]=3 2 B9R1.6 B(c1cnccn1)(O)O AB48451 [0,0,0,0,0,0|3,0,1]=4 3 B9R1.6 B(c1cncnc1)(O)O PB23323 [0,0,0,0,0,0|3,0,1]=4 4 B9R1.6 C=C(c1ccccn1)Br AB31950 [0,0,0,0,0,0|4,0,0]=4 5 B9R1.6 CC(=O)c1ccccn1 AB00686 [0,0,0,0,0,0|3,0,0]=3 6 B9R1.6 CC(=O)c1cccnc1 AB00750 [0,0,0,0,0,0|1,0,0]=1 7 B9R1.6 CC(=O)c1cccnn1 PB16551 [0,0,0,0,0,0|2,0,0]=2 8 B9R1.6 CC(=O)c1ccncc1 AB00760 [0,0,0,0,0,0|3,0,0]=3 9 B9R1.6 CC(=O)c1ccncn1 PB17606 [0,0,0,0,0,0|4,0,0]=4 10 B9R1.6 CC(=O)c1ccnnc1 PB26895 [0,0,0,0,0,0|2,0,0]=2 11 B9R1.6 CC(=O)c1cnccn1 AB00602 [0,0,0,0,0,0|2,0,0]=2 12 B9R1.6 CC(=O)c1cncnc1 PB20327 [0,0,0,0,0,0|2,0,0]=2 13 B9R1.6 CC(=O)c1ncccn1 PB34295 [0,0,0,0,0,0|4,0,0]=4 14 B9R1.6 CC(c1ccccc1)Cl AB01249 [0,0,0,0,0,0|3,0,1]=4 15 B9R1.6 CC(c1ccccn1)N AB21604 [0,0,0,0,0,0|3,0,1]=4 16 B9R1.6 CC(c1cccnc1)N AB09764 [0,0,0,0,0,0|1,0,1]=2 17 B9R1.6 CC(c1ccncc1)N AB11609 [0,0,0,0,0,0|3,0,1]=4 18 B9R1.6 CC(c1ccnnc1)N PB22705 [0,0,0,0,0,0|2,0,1]=3 19 B9R1.6 CC(c1cnccn1)N PB14922 [0,0,0,0,0,0|2,0,1]=3 20 B9R1.6 CC(c1cncnc1)N PB22435 [0,0,0,0,0,0|2,0,1]=3 21 B9R1.6 C[C@@H](c1cccnc1)N AB49737 [0,0,0,0,0,0|1,0,1]=2 22 B9R1.6 C[C@@H](c1ccncc1)N AB49749 [0,0,0,0,0,0|3,0,1]=4 23 B9R1.6 C[C@@H](c1cncnc1)N PB15383 [0,0,0,0,0,0|2,0,1]=3 24 B9R1.6 C[C@H](c1cccnc1)N AB49734 [0,0,0,0,0,0|1,0,1]=2 25 B9R1.6 C[C@H](c1ccncc1)N AB49745 [0,0,0,0,0,0|3,0,1]=4 26 B9R1.6 C[C@H](c1cncnc1)N PB28768 [0,0,0,0,0,0|2,0,1]=3 27 B9R1.6 c1c(cncn1)C(=N)N AB27559 [0,0,0,0,0,0|2,0,0]=2 28 B9R1.6 c1c(cncn1)C(=O)O PB23195 [0,0,0,0,0,0|2,0,0]=2 29 B9R1.6 c1c(cncn1)C(=S)N AB21762 [0,0,0,0,0,0|1,1,0]=2 30 B9R1.6 c1c(ncnn1)C(=O)O AB72448 [0,0,0,0,0,0|3,0,0]=3 31 B9R1.6 c1cc(cnc1)C(F)F AB64034 [0,0,0,0,0,0|2,0,1]=3 32 B9R1.6 c1cc(nnc1)C(=O)O PB21767 [0,0,0,0,0,0|2,0,0]=2 33 B9R1.6 c1ccc(cc1)C(=N)N AB01943 [0,0,0,0,0,0|2,0,0]=2 34 B9R1.6 c1ccnc(c1)C(=N)N MB00460 [0,0,0,0,0,0|3,0,0]=3 35 B9R1.6 c1ccnc(c1)C(=O)O AB00685 [0,0,0,0,0,0|3,0,0]=3 36 B9R1.6 c1ccnc(c1)C(=S)N AB03215 [0,0,0,0,0,0|2,1,0]=3 37 B9R1.6 c1cnc(cn1)C(=N)N AB02172 [0,0,0,0,0,0|2,0,0]=2 38 B9R1.6 c1cnc(cn1)C(=O)O PB27363 [0,0,0,0,0,0|2,0,0]=2 39 B9R1.6 c1cnc(nc1)C(=O)O PB18516 [0,0,0,0,0,0|4,0,0]=4 40 B9R1.6 c1cnccc1C(=N)N MB02852 [0,0,0,0,0,0|3,0,0]=3 41 B9R1.6 c1cnccc1C(=O)O AB00757 [0,0,0,0,0,0|3,0,0]=3 42 B9R1.6 c1cnccc1C(=S)N AB00764 [0,0,0,0,0,0|2,1,0]=3 43 B9R1.6 c1cncnc1C(=O)O PB29023 [0,0,0,0,0,0|4,0,0]=4 44 B9R1.6 c1cnnc(n1)C(=O)O AB48886 [0,0,0,0,0,0|3,0,0]=3 45 B9R1.6 c1cnncc1C(=O)O PB17054 [0,0,0,0,0,0|2,0,0]=2 46 B8R1.2 C#Cc1cccnc1 PB29186 [1,0,0,0,0,0|1,0,1]=3 47 B8R1.2 C#Cc1cccnn1 PB34819 [1,0,0,0,0,0|2,0,1]=4 48 B8R1.2 C#Cc1cnccn1 PB18058 [1,0,0,0,0,0|2,0,1]=4 49 B8R1.2 C#Cc1cncnc1 PB12263 [1,0,0,0,0,0|2,0,1]=4 50 B8R1.2 CNc1cccnc1 AB09114 [1,0,0,0,0,0|2,0,0]=3 51 B8R1.2 CNc1cncnc1 AB60774 [1,0,0,0,0,0|3,0,0]=4 52 B8R1.2 COc1cccnc1 AB06864 [1,0,0,0,0,0|2,0,0]=3 53 B8R1.2 COc1cccnn1 AB05130 [1,0,0,0,0,0|3,0,0]=4 54 B8R1.2 COc1ccnnc1 AB44150 [1,0,0,0,0,0|3,0,0]=4 55 B8R1.2 c1c(cncn1)C#N PB29060 [1,0,0,0,0,0|1,0,2]=4 56 B8R1.2 c1c(cncn1)C=O PB32342 [1,0,0,0,0,0|1,0,0]=2 57 B8R1.2 c1c(cncn1)CCl PB31962 [1,0,0,0,0,0|2,0,1]=4 58 B8R1.2 c1c(cncn1)CCl PB34530 [1,0,0,0,0,0|2,0,1]=4 59 B8R1.2 c1c(cncn1)CN PB26277 [1,0,0,0,0,0|1,0,1]=3 60 B8R1.2 c1c(cncn1)CO PB18631 [1,0,0,0,0,0|1,0,2]=4 61 B8R1.2 c1c(cncn1)NN PB30357 [1,0,0,0,0,0|2,0,0]=3 62 B8R1.2 c1cc(cnc1)C=O AB00744 [1,0,0,0,0,0|0,0,0]=1 63 B8R1.2 c1cc(cnc1)CCl AB01984 [1,0,0,0,0,0|1,0,1]=3 64 B8R1.2 c1cc(cnc1)CN AB00752 [1,0,0,0,0,0|0,0,1]=2 65 B8R1.2 c1cc(cnc1)NN AB42924 [1,0,0,0,0,0|1,0,0]=2 66 B8R1.2 c1cc(cnc1)NN PB18886 [1,0,0,0,0,0|1,0,0]=2 67 B8R1.2 c1cc(nnc1)C#N PB19049 [1,0,0,0,0,0|1,0,2]=4 68 B8R1.2 c1cc(nnc1)C=O PB20119 [1,0,0,0,0,0|1,0,0]=2 69 B8R1.2 c1cc(nnc1)CCl PB28814 [1,0,0,0,0,0|2,0,1]=4 70 B8R1.2 c1cc(nnc1)CN PB29341 [1,0,0,0,0,0|1,0,1]=3 71 B8R1.2 c1cc(nnc1)CO PB30818 [1,0,0,0,0,0|1,0,2]=4 72 B8R1.2 c1ccnc(c1)C=O AB00680 [1,0,0,0,0,0|2,0,0]=3 73 B8R1.2 c1ccnc(c1)CN AB00731 [1,0,0,0,0,0|2,0,1]=4 74 B8R1.2 c1cnc(cn1)C#N AB02102 [1,0,0,0,0,0|1,0,2]=4 75 B8R1.2 c1cnc(cn1)C=O PB19982 [1,0,0,0,0,0|1,0,0]=2 76 B8R1.2 c1cnc(cn1)CCl PB20483 [1,0,0,0,0,0|2,0,1]=4 77 B8R1.2 c1cnc(cn1)CN PB14180 [1,0,0,0,0,0|1,0,1]=3 78 B8R1.2 c1cnc(cn1)CO PB21779 [1,0,0,0,0,0|1,0,2]=4 79 B8R1.2 c1cnc(cn1)NN PB12798 [1,0,0,0,0,0|2,0,0]=3 80 B8R1.2 c1cnc(nc1)C=O PB34235 [1,0,0,0,0,0|3,0,0]=4 81 B8R1.2 c1cnccc1C=O AB00754 [1,0,0,0,0,0|2,0,0]=3 82 B8R1.2 c1cnccc1CN AB00767 [1,0,0,0,0,0|2,0,1]=4 83 B8R1.2 c1cnccc1NN PB27392 [1,0,0,0,0,0|3,0,0]=4 84 B8R1.2 c1cnccc1ON AB31585 [1,0,0,0,0,0|3,0,0]=4 85 B8R1.2 c1cncnc1C=O AB16150 [1,0,0,0,0,0|3,0,0]=4 86 B8R1.2 c1cnncc1C#N PB16131 [1,0,0,0,0,0|1,0,2]=4 87 B8R1.2 c1cnncc1C=O PB17346 [1,0,0,0,0,0|1,0,0]=2 88 B8R1.2 c1cnncc1CN PB31361 [1,0,0,0,0,0|1,0,1]=3 89 B8R1.2 c1cnncc1CO PB26178 [1,0,0,0,0,0|1,0,2]=4 90 B10R1.13 B(c1ccc(nc1)Br)(O)O AB14131 [0,1,0,0,0,0|2,0,1]=4 91 B10R1.13 B(c1ccc(nc1)C)(O)O AB30208 [0,1,0,0,0,0|2,0,1]=4 92 B10R1.13 B(c1ccc(nc1)Cl)(O)O AB13412 [0,1,0,0,0,0|2,0,1]=4 93 B10R1.13 B(c1ccc(nc1)F)(O)O AB14135 [0,1,0,0,0,0|2,0,1]=4 94 B10R1.13 B(c1ccc(nc1)N)(O)O PB31438 [0,1,0,0,0,0|2,0,1]=4 95 B10R1.13 B(c1ccc(nc1)O)(O)O AB54706 [0,1,0,0,0,0|2,0,1]=4 96 B10R1.13 CC(=C)c1ccc(cc1)O CB10241 [0,1,0,0,0,0|3,0,0]=4 97 B10R1.13 CC(=O)c1ccc(cn1)Br AB21518 [0,1,0,0,0,0|3,0,0]=4 98 B10R1.13 CC(=O)c1ccc(cn1)Cl AB41101 [0,1,0,0,0,0|3,0,0]=4 99 B10R1.13 CC(=O)c1ccc(cn1)F AB62503 [0,1,0,0,0,0|3,0,0]=4 100 B10R1.13 CC(=O)c1ccc(cn1)N AB60315 [0,1,0,0,0,0|3,0,0]=4 101 B10R1.13 CC(=O)c1ccc(cn1)O AB60308 [0,1,0,0,0,0|3,0,0]=4 102 B10R1.13 CC(=O)c1ccc(nc1)Br AB21520 [0,1,0,0,0,0|1,0,0]=2 103 B10R1.13 CC(=O)c1ccc(nc1)Cl AB14033 [0,1,0,0,0,0|1,0,0]=2 104 B10R1.13 CC(=O)c1ccc(nc1)F AB41115 [0,1,0,0,0,0|1,0,0]=2 105 B10R1.13 CC(=O)c1ccc(nc1)N AB49552 [0,1,0,0,0,0|1,0,0]=2 106 B10R1.13 CC(=O)c1ccc(nc1)O AB60297 [0,1,0,0,0,0|1,0,0]=2 107 B10R1.13 CC(=O)c1ccc(nn1)Cl PB20488 [0,1,0,0,0,0|2,0,0]=3 108 B10R1.13 CC(=O)c1cnc(cn1)Cl AB65450 [0,1,0,0,0,0|2,0,0]=3 109 B10R1.13 CC(=O)c1cnc(nc1)Cl AB59098 [0,1,0,0,0,0|2,0,0]=3 110 B10R1.13 CC(C)c1ccc(nc1)Br MB10296 [0,1,0,0,0,0|2,0,1]=4 111 B10R1.13 CC(c1ccc(nc1)Br)N AB67301 [0,1,0,0,0,0|1,0,1]=3 112 B10R1.13 CC(c1ccc(nc1)Cl)N AB67348 [0,1,0,0,0,0|1,0,1]=3 113 B10R1.13 CN(C)c1ccc(nc1)Br MB00661 [0,1,0,0,0,0|3,0,0]=4 114 B10R1.13 C[C@@H](c1ccc(nc1)Cl)N AB49730 [0,1,0,0,0,0|1,0,1]=3 115 B10R1.13 C[C@H](c1ccc(nc1)Cl)N AB49726 [0,1,0,0,0,0|1,0,1]=3 116 B10R1.13 Cc1ccc(cc1)C(=N)N AB01792 [0,1,0,0,0,0|2,0,0]=3 117 B10R1.13 Cc1ccc(cc1)C(=S)N AB04365 [0,1,0,0,0,0|1,1,0]=3 118 B10R1.13 Cc1ccc(cn1)C(=O)C AB03568 [0,1,0,0,0,0|1,0,0]=2 119 B10R1.13 Cc1ccc(cn1)C(=O)Cl AB44670 [0,1,0,0,0,0|1,0,0]=2 120 B10R1.13 Cc1ccc(cn1)C(=O)O AB00723 [0,1,0,0,0,0|1,0,0]=2 121 B10R1.13 Cc1ccc(cn1)C(C)N AB53828 [0,1,0,0,0,0|1,0,1]=3 122 B10R1.13 Cc1ccc(cn1)C(F)F AB76728 [0,1,0,0,0,0|2,0,1]=4 123 B10R1.13 Cc1ccc(cn1)[N+](=O)[O-] PB18660 [0,1,0,0,0,0|2,0,0]=3 124 B10R1.13 Cc1ccc(nc1)C(=O)C AB25779 [0,1,0,0,0,0|3,0,0]=4 125 B10R1.13 Cc1ccc(nc1)C(=O)O AB09798 [0,1,0,0,0,0|3,0,0]=4 126 B10R1.13 Cc1ccc(nn1)C(=O)C AB75459 [0,1,0,0,0,0|2,0,0]=3 127 B10R1.13 Cc1ccc(nn1)C(=O)O AB52759 [0,1,0,0,0,0|2,0,0]=3 128 B10R1.13 Cc1cnc(cn1)C(=O)C AB02269 [0,1,0,0,0,0|2,0,0]=3 129 B10R1.13 Cc1cnc(cn1)C(=O)N CB10282 [0,1,0,0,0,0|1,0,0]=2 130 B10R1.13 Cc1cnc(cn1)C(=O)O PB12995 [0,1,0,0,0,0|2,0,0]=3 131 B10R1.13 Cc1ncc(cn1)C(=O)O PB27884 [0,1,0,0,0,0|2,0,0]=3 132 B10R1.13 Cc1ncc(cn1)[N+](=O)[O-] PB32192 [0,1,0,0,0,0|3,0,0]=4 133 B10R1.13 c1c(cnc(n1)Br)C(=O)N MB14155 [0,1,0,0,0,0|1,0,0]=2 134 B10R1.13 c1c(cnc(n1)C(=O)N)Br MB01294 [0,1,0,0,0,0|3,0,0]=4 135 B10R1.13 c1c(cnc(n1)Cl)C(=O)O PB24941 [0,1,0,0,0,0|2,0,0]=3 136 B10R1.13 c1c(cnc(n1)Cl)[N+](=O)[O-] PB15791 [0,1,0,0,0,0|3,0,0]=4 137 B10R1.13 c1c(cnc(n1)N)C(=O)O AB22915 [0,1,0,0,0,0|2,0,0]=3 138 B10R1.13 c1c(cnc(n1)N)[N+](=O)[O-] AB00586 [0,1,0,0,0,0|3,0,0]=4 139 B10R1.13 c1c(cnc(n1)O)C(=O)O PB14569 [0,1,0,0,0,0|2,0,0]=3 140 B10R1.13 c1c(cnc(n1)O)[N+](=O)[O-] PB18938 [0,1,0,0,0,0|3,0,0]=4 141 B10R1.13 c1c(ncc(n1)Br)C(=O)N MB14265 [0,1,0,0,0,0|1,0,0]=2 142 B10R1.13 c1c(ncc(n1)Br)C(=O)O AB54768 [0,1,0,0,0,0|2,0,0]=3 143 B10R1.13 c1c(ncc(n1)Cl)C(=O)O PB34349 [0,1,0,0,0,0|2,0,0]=3 144 B10R1.13 c1c(ncc(n1)N)C(=O)O PB32499 [0,1,0,0,0,0|2,0,0]=3 145 B10R1.13 c1c(ncc(n1)O)C(=O)O PB32161 [0,1,0,0,0,0|2,0,0]=3 146 B10R1.13 c1cc(ccc1C(=N)N)Br AB06234 [0,1,0,0,0,0|2,0,0]=3 147 B10R1.13 c1cc(ccc1C(=N)N)Cl AB03527 [0,1,0,0,0,0|2,0,0]=3 148 B10R1.13 c1cc(ccc1C(=N)N)F AB18284 [0,1,0,0,0,0|2,0,0]=3 149 B10R1.13 c1cc(ccc1C(=N)N)I AB18403 [0,1,0,0,0,0|2,0,0]=3 150 B10R1.13 c1cc(ccc1C(=N)N)N AB01119 [0,1,0,0,0,0|2,0,0]=3 151 B10R1.13 c1cc(ccc1C(=N)N)O AB03766 [0,1,0,0,0,0|2,0,0]=3 152 B10R1.13 c1cc(ccc1C(=S)N)Br AB18142 [0,1,0,0,0,0|1,1,0]=3 153 B10R1.13 c1cc(ccc1C(=S)N)Cl AB01841 [0,1,0,0,0,0|1,1,0]=3 154 B10R1.13 c1cc(ccc1C(=S)N)F AB08498 [0,1,0,0,0,0|1,1,0]=3 155 B10R1.13 c1cc(ccc1C(=S)N)N AB01833 [0,1,0,0,0,0|1,1,0]=3 156 B10R1.13 c1cc(ccc1C(=S)N)O AB21285 [0,1,0,0,0,0|1,1,0]=3 157 B10R1.13 c1cc(ncc1Br)C(=O)O PB32197 [0,1,0,0,0,0|3,0,0]=4 158 B10R1.13 c1cc(ncc1Br)C(=O)[O-] AB42654 [0,1,0,0,0,0|3,0,0]=4 159 B10R1.13 c1cc(ncc1C(=N)N)F PB38856 [0,1,0,0,0,0|1,0,0]=2 160 B10R1.13 c1cc(ncc1C(=O)Cl)F AB42627 [0,1,0,0,0,0|1,0,0]=2 161 B10R1.13 c1cc(ncc1C(=O)N)Br MB01098 [0,1,0,0,0,0|0,0,0]=1 162 B10R1.13 c1cc(ncc1C(=O)O)Br PB18554 [0,1,0,0,0,0|1,0,0]=2 163 B10R1.13 c1cc(ncc1C(=O)O)Cl AB00659 [0,1,0,0,0,0|1,0,0]=2 164 B10R1.13 c1cc(ncc1C(=O)O)F AB09999 [0,1,0,0,0,0|1,0,0]=2 165 B10R1.13 c1cc(ncc1C(=O)O)N AB17940 [0,1,0,0,0,0|1,0,0]=2 166 B10R1.13 c1cc(ncc1C(=O)O)N PB21621 [0,1,0,0,0,0|1,0,0]=2 167 B10R1.13 c1cc(ncc1C(=O)O)O PB17040 [0,1,0,0,0,0|1,0,0]=2 168 B10R1.13 c1cc(ncc1C(F)F)Br AB70749 [0,1,0,0,0,0|2,0,1]=4 169 B10R1.13 c1cc(ncc1C(F)F)Cl AB70755 [0,1,0,0,0,0|2,0,1]=4 170 B10R1.13 c1cc(ncc1C(F)F)F AB76727 [0,1,0,0,0,0|2,0,1]=4 171 B10R1.13 c1cc(ncc1C(F)F)N AB74782 [0,1,0,0,0,0|2,0,1]=4 172 B10R1.13 c1cc(ncc1Cl)C(=N)N PB16514 [0,1,0,0,0,0|3,0,0]=4 173 B10R1.13 c1cc(ncc1Cl)C(=O)O AB17962 [0,1,0,0,0,0|3,0,0]=4 174 B10R1.13 c1cc(ncc1F)C(=N)N PB33102 [0,1,0,0,0,0|3,0,0]=4 175 B10R1.13 c1cc(ncc1F)C(=O)O AB17969 [0,1,0,0,0,0|3,0,0]=4 176 B10R1.13 c1cc(ncc1N)C(=O)O AB12645 [0,1,0,0,0,0|3,0,0]=4 177 B10R1.13 c1cc(ncc1O)C(=O)N MB11444 [0,1,0,0,0,0|2,0,0]=3 178 B10R1.13 c1cc(ncc1O)C(=O)O PB26027 [0,1,0,0,0,0|3,0,0]=4 179 B10R1.13 c1cc(ncc1[N+](=O)[O-])Br PB21612 [0,1,0,0,0,0|2,0,0]=3 180 B10R1.13 c1cc(ncc1[N+](=O)[O-])Cl AB00655 [0,1,0,0,0,0|2,0,0]=3 181 B10R1.13 c1cc(ncc1[N+](=O)[O-])F AB13439 [0,1,0,0,0,0|2,0,0]=3 182 B10R1.13 c1cc(nnc1C(=O)O)Cl PB27458 [0,1,0,0,0,0|2,0,0]=3 183 B10R1.13 c1cc(nnc1C(=O)O)N PB30836 [0,1,0,0,0,0|2,0,0]=3 184 B10R1.13 c1cc(nnc1C(=O)O)O PB20339 [0,1,0,0,0,0|2,0,0]=3 185 B10R1.15 CC(c1cccnc1)NC CB11165 [0,1,0,0,0,0|1,0,1]=3 186 B10R1.15 CCC(=O)c1ccccn1 AB01373 [0,1,0,0,0,0|3,0,0]=4 187 B10R1.15 CCC(=O)c1cnccn1 PB23991 [0,1,0,0,0,0|2,0,0]=3 188 B10R1.15 CCC(c1cnccn1)N PB31632 [0,1,0,0,0,0|2,0,1]=4 189 B10R1.15 CNC(=O)c1cnccn1 AB70331 [0,1,0,0,0,0|1,0,0]=2 190 B10R1.15 COC(=N)c1cnccn1 AB61004 [0,1,0,0,0,0|1,0,2]=4 191 B10R1.15 COC(=O)c1cccnn1 PB28168 [0,1,0,0,0,0|2,0,0]=3 192 B10R1.15 COC(=O)c1ccnnc1 PB31452 [0,1,0,0,0,0|2,0,0]=3 193 B10R1.15 COC(=O)c1cncnc1 PB15822 [0,1,0,0,0,0|2,0,0]=3 194 B10R1.15 C[C@@H](CN)c1ccccc1 AB04898 [0,1,0,0,0,0|2,0,1]=4 195 B10R1.15 C[C@H](CN)c1ccccc1 AB04902 [0,1,0,0,0,0|2,0,1]=4 196 B10R1.15 c1cc(cnc1)C(=O)C=O AB62325 [0,1,0,0,0,0|1,0,0]=2 197 B10R1.15 c1cc(cnc1)C(=O)CBr AB02174 [0,1,0,0,0,0|1,0,0]=2 198 B10R1.15 c1cc(cnc1)C(=O)CBr AB44461 [0,1,0,0,0,0|1,0,0]=2 199 B10R1.15 c1cc(cnc1)C(=O)CCl MB06839 [0,1,0,0,0,0|1,0,0]=2 200 B10R1.15 c1cc(cnc1)C(CCl)O MB06178 [0,1,0,0,0,0|1,0,2]=4 201 B10R1.15 c1cc(cnc1)C(CN)O AB16395 [0,1,0,0,0,0|0,0,2]=3 202 B10R1.15 c1cc(cnc1)C(CO)N AB12437 [0,1,0,0,0,0|0,0,2]=3 203 B10R1.15 c1ccc(cc1)C(=O)C=O AB00817 [0,1,0,0,0,0|2,0,0]=3 204 B10R1.15 c1ccc(cc1)C(=O)C=O AB03966 [0,1,0,0,0,0|2,0,0]=3 205 B10R1.15 c1ccc(cc1)C(=O)NN AB00887 [0,1,0,0,0,0|1,0,0]=2 206 B10R1.15 c1ccnc(c1)C(=O)C=O AB62330 [0,1,0,0,0,0|3,0,0]=4 207 B10R1.15 c1ccnc(c1)C(=O)CBr AB23665 [0,1,0,0,0,0|3,0,0]=4 208 B10R1.15 c1cnc(cn1)C(=O)NN AB07083 [0,1,0,0,0,0|1,0,0]=2 209 B10R1.15 c1cnccc1C(=O)C=O AB62328 [0,1,0,0,0,0|3,0,0]=4 210 B10R1.15 c1cnccc1C(=O)CBr AB12154 [0,1,0,0,0,0|3,0,0]=4 211 B10R1.15 c1cncnc1C(=O)NN AB28062 [0,1,0,0,0,0|3,0,0]=4 212 B10R1.28 CC(C)(c1cccnc1)N AB48740 [0,1,0,0,0,0|1,0,1]=3 213 B10R1.28 c1cc(cnc1)S(=O)(=O)Cl AB15457 [0,1,0,0,0,0|2,0,0]=3 214 B10R1.28 c1cc(cnc1)S(=O)(=O)Cl PB34068 [0,1,0,0,0,0|2,0,0]=3 215 B10R1.28 c1ccnc(c1)S(=O)(=O)N PB16122 [0,1,0,0,0,0|3,0,0]=4 216 B10R1.28 c1cnc(cn1)S(=O)(=O)Cl AB60547 [0,1,0,0,0,0|3,0,0]=4 217 B10R1.28 c1cnccc1S(=O)(=O)N PB26859 [0,1,0,0,0,0|3,0,0]=4 218 B10R1.61 B(c1cccnc1Br)(O)O AB17846 [0,1,0,0,0,0|2,0,1]=4 219 B10R1.61 B(c1cccnc1C)(O)O AB25945 [0,1,0,0,0,0|2,0,1]=4 220 B10R1.61 B(c1cccnc1Cl)(O)O PB10233 [0,1,0,0,0,0|2,0,1]=4 221 B10R1.61 B(c1cccnc1F)(O)O AB14130 [0,1,0,0,0,0|2,0,1]=4 222 B10R1.61 B(c1cccnc1F)(O)O AB17194 [0,1,0,0,0,0|2,0,1]=4 223 B10R1.61 B(c1cccnc1O)(O)O AB59785 [0,1,0,0,0,0|2,0,1]=4 224 B10R1.61 B(c1cnccc1C)(O)O AB15952 [0,1,0,0,0,0|2,0,1]=4 225 B10R1.61 B(c1cnccc1Cl)(O)O AB30062 [0,1,0,0,0,0|2,0,1]=4 226 B10R1.61 B(c1cnccc1F)(O)O AB32070 [0,1,0,0,0,0|2,0,1]=4 227 B10R1.61 B(c1cnccc1O)(O)O AB59789 [0,1,0,0,0,0|2,0,1]=4 228 B10R1.61 CC(=O)c1c(cccn1)Cl PB28312 [0,1,0,0,0,0|3,0,0]=4 229 B10R1.61 CC(=O)c1c(cccn1)F PB26212 [0,1,0,0,0,0|3,0,0]=4 230 B10R1.61 CC(=O)c1c(cccn1)N AB08681 [0,1,0,0,0,0|3,0,0]=4 231 B10R1.61 CC(=O)c1c(nccn1)Cl PB31492 [0,1,0,0,0,0|2,0,0]=3 232 B10R1.61 CC(=O)c1c(nccn1)N PB17764 [0,1,0,0,0,0|2,0,0]=3 233 B10R1.61 CC(=O)c1cccnc1Br AB18171 [0,1,0,0,0,0|1,0,0]=2 234 B10R1.61 CC(=O)c1cccnc1Cl PB32351 [0,1,0,0,0,0|1,0,0]=2 235 B10R1.61 CC(=O)c1cccnc1F AB41104 [0,1,0,0,0,0|1,0,0]=2 236 B10R1.61 CC(=O)c1cccnc1N AB11689 [0,1,0,0,0,0|1,0,0]=2 237 B10R1.61 CC(=O)c1ccncc1Br PB12099 [0,1,0,0,0,0|3,0,0]=4 238 B10R1.61 CC(=O)c1ccncc1F PB22036 [0,1,0,0,0,0|3,0,0]=4 239 B10R1.61 CC(=O)c1ccncc1N AB41121 [0,1,0,0,0,0|3,0,0]=4 240 B10R1.61 CC(=O)c1cnccc1Br AB64732 [0,1,0,0,0,0|1,0,0]=2 241 B10R1.61 CC(=O)c1cnccc1Cl AB64447 [0,1,0,0,0,0|1,0,0]=2 242 B10R1.61 CC(=O)c1cnccc1F AB41107 [0,1,0,0,0,0|1,0,0]=2 243 B10R1.61 CC(C)c1cnccc1O MB22684 [0,1,0,0,0,0|2,0,1]=4 244 B10R1.61 CC(c1cccnc1Br)N AB41828 [0,1,0,0,0,0|1,0,1]=3 245 B10R1.61 CC(c1cccnc1Cl)N AB67346 [0,1,0,0,0,0|1,0,1]=3 246 B10R1.61 CC(c1cnccc1Cl)N AB68000 [0,1,0,0,0,0|1,0,1]=3 247 B10R1.61 CN(C)c1cnccc1O MB24989 [0,1,0,0,0,0|3,0,0]=4 248 B10R1.61 Cc1c(cccn1)C(=O)C AB03570 [0,1,0,0,0,0|1,0,0]=2 249 B10R1.61 Cc1c(cccn1)C(=O)O PB27380 [0,1,0,0,0,0|1,0,0]=2 250 B10R1.61 Cc1c(cccn1)C(C)C AB65910 [0,1,0,0,0,0|2,0,1]=4 251 B10R1.61 Cc1c(cccn1)C(C)N AB66938 [0,1,0,0,0,0|1,0,1]=3 252 B10R1.61 Cc1c(cccn1)[N+](=O)[O-] PB15768 [0,1,0,0,0,0|2,0,0]=3 253 B10R1.61 Cc1c(ccnn1)C(=O)O PB22593 [0,1,0,0,0,0|2,0,0]=3 254 B10R1.61 Cc1c(nccn1)C(=O)O PB12562 [0,1,0,0,0,0|2,0,0]=3 255 B10R1.61 Cc1ccccc1C(=N)N AB18273 [0,1,0,0,0,0|2,0,0]=3 256 B10R1.61 Cc1ccccc1C(=S)N AB16881 [0,1,0,0,0,0|1,1,0]=3 257 B10R1.61 Cc1cccnc1C(=O)O PB10121 [0,1,0,0,0,0|3,0,0]=4 258 B10R1.61 Cc1ccncc1C(=O)C AB45306 [0,1,0,0,0,0|1,0,0]=2 259 B10R1.61 Cc1ccncc1C(=O)O PB17119 [0,1,0,0,0,0|1,0,0]=2 260 B10R1.61 Cc1ccncc1C(C)N AB67850 [0,1,0,0,0,0|1,0,1]=3 261 B10R1.61 Cc1ccncc1[N+](=O)[O-] PB27407 [0,1,0,0,0,0|2,0,0]=3 262 B10R1.61 Cc1ccnnc1C(=O)O PB17664 [0,1,0,0,0,0|2,0,0]=3 263 B10R1.61 Cc1cnccc1C(=O)O PB12103 [0,1,0,0,0,0|3,0,0]=4 264 B10R1.61 Cc1cnncc1C(=O)O PB17923 [0,1,0,0,0,0|2,0,0]=3 265 B10R1.61 c1c(c(ncn1)Cl)C(=O)O AB51529 [0,1,0,0,0,0|2,0,0]=3 266 B10R1.61 c1c(c(ncn1)N)C(=O)O AB02045 [0,1,0,0,0,0|2,0,0]=3 267 B10R1.61 c1cc(c(nc1)Br)C(=O)O AB09561 [0,1,0,0,0,0|1,0,0]=2 268 B10R1.61 c1cc(c(nc1)Br)[N+](=O)[O-] PB12717 [0,1,0,0,0,0|2,0,0]=3 269 B10R1.61 c1cc(c(nc1)C(=O)N)N PB24920 [0,1,0,0,0,0|2,0,0]=3 270 B10R1.61 c1cc(c(nc1)C(=O)O)Cl PB30690 [0,1,0,0,0,0|3,0,0]=4 271 B10R1.61 c1cc(c(nc1)C(=O)O)F PB12310 [0,1,0,0,0,0|3,0,0]=4 272 B10R1.61 c1cc(c(nc1)C(=O)O)I AB10544 [0,1,0,0,0,0|3,0,0]=4 273 B10R1.61 c1cc(c(nc1)C(=O)O)N PB32134 [0,1,0,0,0,0|3,0,0]=4 274 B10R1.61 c1cc(c(nc1)Cl)C(=N)N MB05508 [0,1,0,0,0,0|1,0,0]=2 275 B10R1.61 c1cc(c(nc1)Cl)C(=O)O AB00651 [0,1,0,0,0,0|1,0,0]=2 276 B10R1.61 c1cc(c(nc1)Cl)[N+](=O)[O-] PB33644 [0,1,0,0,0,0|2,0,0]=3 277 B10R1.61 c1cc(c(nc1)F)C(=O)O AB01814 [0,1,0,0,0,0|1,0,0]=2 278 B10R1.61 c1cc(c(nc1)N)C(=O)O PB30535 [0,1,0,0,0,0|1,0,0]=2 279 B10R1.61 c1cc(c(nc1)N)[N+](=O)[O-] PB19852 [0,1,0,0,0,0|2,0,0]=3 280 B10R1.61 c1cc(c(nc1)O)C(=O)O AB01020 [0,1,0,0,0,0|1,0,0]=2 281 B10R1.61 c1cc(c(nc1)O)[N+](=O)[O-] PB30530 [0,1,0,0,0,0|2,0,0]=3 282 B10R1.61 c1ccc(c(c1)C(=N)N)Br AB18326 [0,1,0,0,0,0|2,0,0]=3 283 B10R1.61 c1ccc(c(c1)C(=N)N)Cl AB05888 [0,1,0,0,0,0|2,0,0]=3 284 B10R1.61 c1ccc(c(c1)C(=N)N)F AB18318 [0,1,0,0,0,0|2,0,0]=3 285 B10R1.61 c1ccc(c(c1)C(=N)N)O AB55085 [0,1,0,0,0,0|2,0,0]=3 286 B10R1.61 c1ccc(c(c1)C(=O)O)Br AB00223 [0,1,0,0,0,0|2,0,0]=3 287 B10R1.61 c1ccc(c(c1)C(=S)N)Br AB21272 [0,1,0,0,0,0|1,1,0]=3 288 B10R1.61 c1ccc(c(c1)C(=S)N)Cl AB01839 [0,1,0,0,0,0|1,1,0]=3 289 B10R1.61 c1ccc(c(c1)C(=S)N)N AB07816 [0,1,0,0,0,0|1,1,0]=3 290 B10R1.61 c1cnc(c(n1)C(=O)Cl)Cl AB60404 [0,1,0,0,0,0|2,0,0]=3 291 B10R1.61 c1cnc(c(n1)C(=O)N)N AB14047 [0,1,0,0,0,0|1,0,0]=2 292 B10R1.61 c1cnc(c(n1)C(=O)N)O CB10307 [0,1,0,0,0,0|1,0,0]=2 293 B10R1.61 c1cnc(c(n1)C(=O)O)Cl PB23222 [0,1,0,0,0,0|2,0,0]=3 294 B10R1.61 c1cnc(c(n1)C(=O)O)N AB00606 [0,1,0,0,0,0|2,0,0]=3 295 B10R1.61 c1cnc(c(n1)C(=O)O)O PB18475 [0,1,0,0,0,0|2,0,0]=3 296 B10R1.61 c1cnc(c(n1)[N+](=O)[O-])Cl AB60519 [0,1,0,0,0,0|3,0,0]=4 297 B10R1.61 c1cncc(c1Br)C(=O)O AB18009 [0,1,0,0,0,0|1,0,0]=2 298 B10R1.61 c1cncc(c1Br)[N+](=O)[O-] AB17641 [0,1,0,0,0,0|2,0,0]=3 299 B10R1.61 c1cncc(c1C(=O)N)O MB13532 [0,1,0,0,0,0|2,0,0]=3 300 B10R1.61 c1cncc(c1C(=O)O)Br PB10062 [0,1,0,0,0,0|3,0,0]=4 301 B10R1.61 c1cncc(c1C(=O)O)Cl AB13346 [0,1,0,0,0,0|3,0,0]=4 302 B10R1.61 c1cncc(c1C(=O)O)I AB09565 [0,1,0,0,0,0|3,0,0]=4 303 B10R1.61 c1cncc(c1C(=O)O)N PB17122 [0,1,0,0,0,0|3,0,0]=4 304 B10R1.61 c1cncc(c1C(=O)O)O PB29057 [0,1,0,0,0,0|3,0,0]=4 305 B10R1.61 c1cncc(c1Cl)C(=O)O AB03598 [0,1,0,0,0,0|1,0,0]=2 306 B10R1.61 c1cncc(c1Cl)[N+](=O)[O-] PB27580 [0,1,0,0,0,0|2,0,0]=3 307 B10R1.61 c1cncc(c1F)C(=O)O AB18036 [0,1,0,0,0,0|1,0,0]=2 308 B10R1.61 c1cncc(c1I)C(=O)O AB15003 [0,1,0,0,0,0|1,0,0]=2 309 B10R1.61 c1cncc(c1N)C(=O)N PB21456 [0,1,0,0,0,0|0,0,0]=1 310 B10R1.61 c1cncc(c1N)C(=O)O PB26016 [0,1,0,0,0,0|1,0,0]=2 311 B10R1.61 c1cncc(c1N)[N+](=O)[O-] PB15655 [0,1,0,0,0,0|2,0,0]=3 312 B10R1.61 c1cncc(c1O)C(=O)N MB06099 [0,1,0,0,0,0|0,0,0]=1 313 B10R1.61 c1cncc(c1O)C(=O)O AB01802 [0,1,0,0,0,0|1,0,0]=2 314 B10R1.61 c1cncc(c1O)[N+](=O)[O-] PB12105 [0,1,0,0,0,0|2,0,0]=3 315 B10R1.61 c1cnnc(c1C(=O)O)O AB76276 [0,1,0,0,0,0|2,0,0]=3 316 B10R1.61 c1nc(c(nn1)C(=O)O)O AB72460 [0,1,0,0,0,0|3,0,0]=4 317 B10R1.113 B(c1cc(cnc1)Br)(O)O AB12651 [0,1,0,0,0,0|2,0,1]=4 318 B10R1.113 B(c1cc(cnc1)Cl)(O)O AB29845 [0,1,0,0,0,0|2,0,1]=4 319 B10R1.113 B(c1cc(cnc1)F)(O)O AB31983 [0,1,0,0,0,0|2,0,1]=4 320 B10R1.113 B(c1cc(cnc1)N)(O)O AB40635 [0,1,0,0,0,0|2,0,1]=4 321 B10R1.113 B(c1cc(cnc1)O)(O)O AB67806 [0,1,0,0,0,0|2,0,1]=4 322 B10R1.113 C1C(=O)N=C(C=N1)C(=O)O AB60468 [0,1,0,0,0,0|2,0,1]=4 323 B10R1.113 CC(=O)c1cc(ccn1)Br AB67963 [0,1,0,0,0,0|3,0,0]=4 324 B10R1.113 CC(=O)c1cc(ccn1)Cl AB60198 [0,1,0,0,0,0|3,0,0]=4 325 B10R1.113 CC(=O)c1cc(ccn1)F AB68049 [0,1,0,0,0,0|3,0,0]=4 326 B10R1.113 CC(=O)c1cc(ccn1)O AB69730 [0,1,0,0,0,0|3,0,0]=4 327 B10R1.113 CC(=O)c1cc(cnc1)Br PB20794 [0,1,0,0,0,0|1,0,0]=2 328 B10R1.113 CC(=O)c1cc(cnc1)F AB41114 [0,1,0,0,0,0|1,0,0]=2 329 B10R1.113 CC(=O)c1cc(cnc1)N AB30920 [0,1,0,0,0,0|1,0,0]=2 330 B10R1.113 CC(=O)c1cc(nnc1)Cl AB76969 [0,1,0,0,0,0|2,0,0]=3 331 B10R1.113 CC(=O)c1cccc(n1)Br AB05570 [0,1,0,0,0,0|3,0,0]=4 332 B10R1.113 CC(=O)c1cccc(n1)Cl AB41100 [0,1,0,0,0,0|3,0,0]=4 333 B10R1.113 CC(=O)c1cccc(n1)F AB50226 [0,1,0,0,0,0|3,0,0]=4 334 B10R1.113 CC(=O)c1cccc(n1)N AB67452 [0,1,0,0,0,0|3,0,0]=4 335 B10R1.113 CC(=O)c1ccnc(c1)Br AB31302 [0,1,0,0,0,0|3,0,0]=4 336 B10R1.113 CC(=O)c1ccnc(c1)Cl PB18811 [0,1,0,0,0,0|3,0,0]=4 337 B10R1.113 CC(=O)c1ccnc(c1)F AB50237 [0,1,0,0,0,0|3,0,0]=4 338 B10R1.113 CC(=O)c1ccnc(c1)N AB67454 [0,1,0,0,0,0|3,0,0]=4 339 B10R1.113 CC(C)c1cc(cnc1)Br MB14162 [0,1,0,0,0,0|2,0,1]=4 340 B10R1.113 CC(C)c1cc(cnc1)O MB22682 [0,1,0,0,0,0|2,0,1]=4 341 B10R1.113 CC(c1cc(cnc1)Br)N AB41075 [0,1,0,0,0,0|1,0,1]=3 342 B10R1.113 CN(C)c1cc(cnc1)Br MB12044 [0,1,0,0,0,0|3,0,0]=4 343 B10R1.113 CN(C)c1cc(cnc1)O MB24985 [0,1,0,0,0,0|3,0,0]=4 344 B10R1.113 C[C@@H](c1cccc(c1)N)N AB29091 [0,1,0,0,0,0|2,0,1]=4 345 B10R1.113 C[C@H](c1cccc(c1)O)N AB21156 [0,1,0,0,0,0|2,0,1]=4 346 B10R1.113 Cc1cc(ccn1)C(=O)C AB41122 [0,1,0,0,0,0|3,0,0]=4 347 B10R1.113 Cc1cc(ccn1)C(=O)Cl AB60195 [0,1,0,0,0,0|3,0,0]=4 348 B10R1.113 Cc1cc(ccn1)C(=O)O AB06393 [0,1,0,0,0,0|3,0,0]=4 349 B10R1.113 Cc1cc(cnc1)C(=O)O PB12710 [0,1,0,0,0,0|1,0,0]=2 350 B10R1.113 Cc1cc(cnc1)[N+](=O)[O-] AB17987 [0,1,0,0,0,0|2,0,0]=3 351 B10R1.113 Cc1cccc(c1)C(=N)N AB11452 [0,1,0,0,0,0|2,0,0]=3 352 B10R1.113 Cc1cccc(c1)C(=S)N AB08506 [0,1,0,0,0,0|1,1,0]=3 353 B10R1.113 Cc1cccc(n1)C(=O)C AB25782 [0,1,0,0,0,0|3,0,0]=4 354 B10R1.113 Cc1cccc(n1)C(=O)O AB01368 [0,1,0,0,0,0|3,0,0]=4 355 B10R1.113 Cc1ccnc(c1)C(=O)C AB10395 [0,1,0,0,0,0|3,0,0]=4 356 B10R1.113 Cc1ccnc(c1)C(=O)O AB15851 [0,1,0,0,0,0|3,0,0]=4 357 B10R1.113 Cc1cncc(n1)C(=O)O AB48615 [0,1,0,0,0,0|2,0,0]=3 358 B10R1.113 c1c(cncc1Br)C(=N)N MB05915 [0,1,0,0,0,0|1,0,0]=2 359 B10R1.113 c1c(cncc1Br)C(F)F AB70752 [0,1,0,0,0,0|2,0,1]=4 360 B10R1.113 c1c(cncc1Br)[N+](=O)[O-] AB17991 [0,1,0,0,0,0|2,0,0]=3 361 B10R1.113 c1c(cncc1Cl)C(=O)O PB25983 [0,1,0,0,0,0|1,0,0]=2 362 B10R1.113 c1c(cncc1F)C(=O)O PB23226 [0,1,0,0,0,0|1,0,0]=2 363 B10R1.113 c1c(cncc1F)[N+](=O)[O-] AB67769 [0,1,0,0,0,0|2,0,0]=3 364 B10R1.113 c1c(cncc1N)C(=O)O PB13029 [0,1,0,0,0,0|1,0,0]=2 365 B10R1.113 c1c(cncc1N)C(F)F AB75499 [0,1,0,0,0,0|2,0,1]=4 366 B10R1.113 c1c(cncc1O)C(=O)N MB01725 [0,1,0,0,0,0|0,0,0]=1 367 B10R1.113 c1c(cncc1O)C(=O)O PB33816 [0,1,0,0,0,0|1,0,0]=2 368 B10R1.113 c1c(cncc1O)C(F)F AB85525 [0,1,0,0,0,0|2,0,1]=4 369 B10R1.113 c1c(cncc1[N+](=O)[O-])N AB17982 [0,1,0,0,0,0|2,0,0]=3 370 B10R1.113 c1c(cnnc1Cl)C(=O)O PB30096 [0,1,0,0,0,0|2,0,0]=3 371 B10R1.113 c1c(nc(cn1)Br)C(=O)N MB14307 [0,1,0,0,0,0|1,0,0]=2 372 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|3,0,0]=4 377 B10R1.113 c1cc(cc(c1)Br)C(=N)N AB18330 [0,1,0,0,0,0|2,0,0]=3 378 B10R1.113 c1cc(cc(c1)Br)C(=O)N MB00265 [0,1,0,0,0,0|1,0,0]=2 379 B10R1.113 c1cc(cc(c1)Br)C(=S)N AB21268 [0,1,0,0,0,0|1,1,0]=3 380 B10R1.113 c1cc(cc(c1)Cl)C(=S)N AB05898 [0,1,0,0,0,0|1,1,0]=3 381 B10R1.113 c1cc(cc(c1)F)C(=N)N AB18313 [0,1,0,0,0,0|2,0,0]=3 382 B10R1.113 c1cc(cc(c1)F)C(=S)N AB21276 [0,1,0,0,0,0|1,1,0]=3 383 B10R1.113 c1cc(cc(c1)N)C(=N)N AB01115 [0,1,0,0,0,0|2,0,0]=3 384 B10R1.113 c1cc(cc(c1)N)C(=S)N AB21283 [0,1,0,0,0,0|1,1,0]=3 385 B10R1.113 c1cc(cc(c1)O)C(=N)N AB55570 [0,1,0,0,0,0|2,0,0]=3 386 B10R1.113 c1cc(cc(c1)O)C(=O)N MB00281 [0,1,0,0,0,0|1,0,0]=2 387 B10R1.113 c1cc(nc(c1)Br)C(=O)N MB00999 [0,1,0,0,0,0|2,0,0]=3 388 B10R1.113 c1cc(nc(c1)Br)C(=O)O AB03328 [0,1,0,0,0,0|3,0,0]=4 389 B10R1.113 c1cc(nc(c1)Cl)C(=O)O AB04138 [0,1,0,0,0,0|3,0,0]=4 390 B10R1.113 c1cc(nc(c1)F)C(=O)O AB11487 [0,1,0,0,0,0|3,0,0]=4 391 B10R1.113 c1cc(nc(c1)I)C(=O)N AB42518 [0,1,0,0,0,0|2,0,0]=3 392 B10R1.113 c1cc(nc(c1)I)C(=O)O AB42497 [0,1,0,0,0,0|3,0,0]=4 393 B10R1.113 c1cc(nc(c1)N)C(=O)O PB23179 [0,1,0,0,0,0|3,0,0]=4 394 B10R1.113 c1cnc(cc1Br)C(=O)O PB21234 [0,1,0,0,0,0|3,0,0]=4 395 B10R1.113 c1cnc(cc1C(=O)N)Br AB05162 [0,1,0,0,0,0|2,0,0]=3 396 B10R1.113 c1cnc(cc1C(=O)N)Cl AB04952 [0,1,0,0,0,0|2,0,0]=3 397 B10R1.113 c1cnc(cc1C(=O)N)N AB16207 [0,1,0,0,0,0|2,0,0]=3 398 B10R1.113 c1cnc(cc1C(=O)O)Br AB09563 [0,1,0,0,0,0|3,0,0]=4 399 B10R1.113 c1cnc(cc1C(=O)O)Cl PB12125 [0,1,0,0,0,0|3,0,0]=4 400 B10R1.113 c1cnc(cc1C(=O)O)F AB11490 [0,1,0,0,0,0|3,0,0]=4 401 B10R1.113 c1cnc(cc1C(=O)O)I AB29977 [0,1,0,0,0,0|3,0,0]=4 402 B10R1.113 c1cnc(cc1C(=O)O)N PB19872 [0,1,0,0,0,0|3,0,0]=4 403 B10R1.113 c1cnc(cc1C(=O)O)O PB29144 [0,1,0,0,0,0|3,0,0]=4 404 B10R1.113 c1cnc(cc1C(=S)N)Cl CB11453 [0,1,0,0,0,0|2,1,0]=4 405 B10R1.113 c1cnc(cc1Cl)C(=O)N AB08235 [0,1,0,0,0,0|2,0,0]=3 406 B10R1.113 c1cnc(cc1Cl)C(=O)O AB04585 [0,1,0,0,0,0|3,0,0]=4 407 B10R1.113 c1cnc(cc1F)C(=O)O AB40659 [0,1,0,0,0,0|3,0,0]=4 408 B10R1.113 c1cnc(cc1I)C(=O)O AB28008 [0,1,0,0,0,0|3,0,0]=4 409 B10R1.113 c1cnc(cc1I)C(=O)O PB20818 [0,1,0,0,0,0|3,0,0]=4 410 B10R1.113 c1cnc(cc1N)C(=O)N AB43415 [0,1,0,0,0,0|2,0,0]=3 411 B10R1.113 c1cnc(cc1N)C(=O)O PB23313 [0,1,0,0,0,0|3,0,0]=4 412 B10R1.113 c1cnc(cc1O)C(=O)N MB05243 [0,1,0,0,0,0|2,0,0]=3 413 B10R1.113 c1cnc(cc1O)C(=O)O AB06407 [0,1,0,0,0,0|3,0,0]=4 414 B10R1.113 c1cnc(nc1Br)C(=O)N MB14225 [0,1,0,0,0,0|3,0,0]=4 415 B10R1.113 c1cnc(nc1C(=O)N)Br MB14149 [0,1,0,0,0,0|3,0,0]=4 416 B10R1.113 c1cnc(nc1C(=O)N)Cl PB21684 [0,1,0,0,0,0|3,0,0]=4 417 B8R1.7 C1=NC=NC1C(=O)N CB10787 [0,0,0,0,1,0|1,0,1]=3 418 B8R1.7 C1=NC=NC1C(=O)O AB03082 [0,0,0,0,1,0|2,0,1]=4 419 B8R1.7 C1=NN=CC1C(=O)O PB30547 [0,0,0,0,1,0|2,0,1]=4 420 B8R1.7 C1=NN=CC1C(=S)N AB28240 [0,0,0,0,1,0|1,1,1]=4 421 B8R1.7 C1C=C(C=N1)C(=O)O MB01464 [0,0,0,0,1,0|1,0,1]=3 422 B8R1.7 C1C=C(N=N1)C(=O)N CB11465 [0,0,0,0,1,0|1,0,1]=3 423 B8R1.7 C1C=C(N=N1)C(=O)O AB06191 [0,0,0,0,1,0|2,0,1]=4 424 B8R1.7 C1C=C(N=N1)C(=O)O PB17100 [0,0,0,0,1,0|2,0,1]=4 425 B8R1.7 C1C=C(N=N1)C(=S)N AB21758 [0,0,0,0,1,0|1,1,1]=4 426 B8R1.7 C1C=NC(=N1)C(=N)N PB13199 [0,0,0,0,1,0|2,0,1]=4 427 B8R1.7 C1C=NC(=N1)C(=O)N AB50089 [0,0,0,0,1,0|1,0,1]=3 428 B8R1.7 C1C=NC(=N1)C(=S)N AB21766 [0,0,0,0,1,0|1,1,1]=4 429 B8R1.7 CC(=O)C1=CN=CC1 AB02749 [0,0,0,0,1,0|1,0,1]=3 430 B8R1.7 CC(=O)c1ccsc1 PB17033 [0,0,0,0,1,0|2,0,0]=3 431 B8R1.7 CC(=O)c1cocn1 AB73503 [0,0,0,0,1,0|2,0,0]=3 432 B8R1.7 CC(=O)c1ncco1 AB42105 [0,0,0,0,1,0|2,0,0]=3 433 B8R1.7 CC(c1ccno1)N AB27932 [0,0,0,0,1,0|2,0,1]=4 434 B8R1.7 CC(c1ccoc1)N AB27902 [0,0,0,0,1,0|2,0,1]=4 435 B8R1.7 CC(c1ccoc1)N AB66830 [0,0,0,0,1,0|2,0,1]=4 436 B8R1.7 CC(c1cscn1)N AB27900 [0,0,0,0,1,0|2,0,1]=4 437 B8R1.7 CC(c1nccs1)N AB12719 [0,0,0,0,1,0|2,0,1]=4 438 B8R1.7 C[C@@H](c1nccs1)N AB66719 [0,0,0,0,1,0|2,0,1]=4 439 B8R1.7 C[C@H](c1nccs1)N AB68275 [0,0,0,0,1,0|2,0,1]=4 440 B8R1.7 c1[nH]c(nn1)C(=O)O AB04453 [0,0,0,0,1,0|3,0,0]=4 441 B8R1.7 c1[nH]nc(n1)C(=O)O AB02998 [0,0,0,0,1,0|3,0,0]=4 442 B8R1.7 c1c(con1)C(=O)O AB27926 [0,0,0,0,1,0|2,0,0]=3 443 B8R1.7 c1c(con1)[N+](=O)[O-] AB25388 [0,0,0,0,1,0|3,0,0]=4 444 B8R1.7 c1c(csn1)C(=O)O AB48586 [0,0,0,0,1,0|2,0,0]=3 445 B8R1.7 c1c(nco1)C(=O)O PB14470 [0,0,0,0,1,0|2,0,0]=3 446 B8R1.7 c1c(nco1)C(=O)[O-] AB28203 [0,0,0,0,1,0|2,0,0]=3 447 B8R1.7 c1c(nco1)C(=S)N AB28178 [0,0,0,0,1,0|1,1,0]=3 448 B8R1.7 c1c(ncs1)C(=O)N AB06564 [0,0,0,0,1,0|1,0,0]=2 449 B8R1.7 c1c(ncs1)C(=O)O AB06561 [0,0,0,0,1,0|2,0,0]=3 450 B8R1.7 c1c(ncs1)C(=S)N AB19864 [0,0,0,0,1,0|1,1,0]=3 451 B8R1.7 c1c(non1)C(=O)O AB06534 [0,0,0,0,1,0|3,0,0]=4 452 B8R1.7 c1c(nsn1)C(=O)O AB09086 [0,0,0,0,1,0|3,0,0]=4 453 B8R1.7 c1c(ocn1)C(=O)N AB19298 [0,0,0,0,1,0|1,0,0]=2 454 B8R1.7 c1c(ocn1)C(=O)O AB19293 [0,0,0,0,1,0|2,0,0]=3 455 B8R1.7 c1c(ocn1)C(=S)N AB19301 [0,0,0,0,1,0|1,1,0]=3 456 B8R1.7 c1c(scn1)C(=O)O AB15430 [0,0,0,0,1,0|2,0,0]=3 457 B8R1.7 c1c(scn1)C(=S)N AB28331 [0,0,0,0,1,0|1,1,0]=3 458 B8R1.7 c1cc(oc1)C(=N)N AB07706 [0,0,0,0,1,0|2,0,0]=3 459 B8R1.7 c1cnsc1C(=O)O AB32452 [0,0,0,0,1,0|2,0,0]=3 460 B8R1.7 c1coc(n1)C(=O)N AB19289 [0,0,0,0,1,0|1,0,0]=2 461 B8R1.7 c1coc(n1)C(=O)O AB19305 [0,0,0,0,1,0|2,0,0]=3 462 B8R1.7 c1coc(n1)C(=S)N AB19285 [0,0,0,0,1,0|1,1,0]=3 463 B8R1.7 c1cocc1C(=O)O PB30525 [0,0,0,0,1,0|2,0,0]=3 464 B8R1.7 c1conc1C(=O)O PB26232 [0,0,0,0,1,0|2,0,0]=3 465 B8R1.7 c1conc1C(=S)N AB21754 [0,0,0,0,1,0|1,1,0]=3 466 B8R1.7 c1csc(n1)C(=N)N PB24428 [0,0,0,0,1,0|2,0,0]=3 467 B8R1.7 c1csc(n1)C(=O)O AB10888 [0,0,0,0,1,0|2,0,0]=3 468 B8R1.7 c1csc(n1)C(=S)N AB28335 [0,0,0,0,1,0|1,1,0]=3 469 B8R1.7 c1cscc1C(=O)O PB18386 [0,0,0,0,1,0|2,0,0]=3 470 B8R1.7 c1csnc1C(=O)O PB34433 [0,0,0,0,1,0|2,0,0]=3 471 B8R1.7 c1nnc(o1)C(=O)O AB57583 [0,0,0,0,1,0|3,0,0]=4 472 B10R1.18 CC(=O)Cc1ccccn1 AB03323 [0,0,0,0,0,1|3,0,0]=4 473 B10R1.18 CC(=O)Cc1cccnc1 AB29343 [0,0,0,0,0,1|1,0,0]=2 474 B10R1.18 CC(=O)Cc1cccnc1 AB45525 [0,0,0,0,0,1|1,0,0]=2 475 B10R1.18 CC(=O)Nc1ccncc1 AB06982 [0,0,0,0,0,1|3,0,0]=4 476 B10R1.18 CC(Cc1cccnc1)N AB23775 [0,0,0,0,0,1|1,0,1]=3 477 B10R1.18 CC(Cc1cnccn1)N AB28467 [0,0,0,0,0,1|2,0,1]=4 478 B10R1.18 C[C@@H](Cc1ccccc1)N AB03711 [0,0,0,0,0,1|2,0,1]=4 479 B10R1.18 C[C@H](Cc1ccccc1)N AB07478 [0,0,0,0,0,1|2,0,1]=4 480 B10R1.18 c1c(cncn1)CC(=O)O PB12648 [0,0,0,0,0,1|2,0,0]=3 481 B10R1.18 c1cc(cnc1)CC(=O)O AB01106 [0,0,0,0,0,1|1,0,0]=2 482 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|2,0,0]=3 484 B10R1.18 c1cnc(cn1)CC(=O)O PB10382 [0,0,0,0,0,1|2,0,0]=3 485 B10R1.18 c1cnncc1CC(=O)O PB31426 [0,0,0,0,0,1|2,0,0]=3 486 B7R1.3 Cc1cccnn1 PB33649 [2,0,0,0,0,0|1,0,1]=4 487 B7R1.3 Cc1ccnnc1 PB24546 [2,0,0,0,0,0|1,0,1]=4 488 B7R1.3 c1c(cncn1)Br PB28945 [2,0,0,0,0,0|2,0,0]=4 489 B7R1.3 c1c(cncn1)Cl AB16528 [2,0,0,0,0,0|2,0,0]=4 490 B7R1.3 c1c(cncn1)N PB12745 [2,0,0,0,0,0|1,0,0]=3 491 B7R1.3 c1c(cncn1)O PB27730 [2,0,0,0,0,0|1,0,1]=4 492 B7R1.3 c1cc(cnc1)Br AB00739 [2,0,0,0,0,0|1,0,0]=3 493 B7R1.3 c1cc(cnc1)I AB01382 [2,0,0,0,0,0|1,0,0]=3 494 B7R1.3 c1cc(cnc1)[O-] MB00567 [2,0,0,0,0,0|0,0,1]=3 495 B7R1.3 c1cc(nnc1)Br MB08580 [2,0,0,0,0,0|2,0,0]=4 496 B7R1.3 c1cc(nnc1)Cl AB30021 [2,0,0,0,0,0|2,0,0]=4 497 B7R1.3 c1cc(nnc1)Cl PB34726 [2,0,0,0,0,0|2,0,0]=4 498 B7R1.3 c1cc(nnc1)N PB17217 [2,0,0,0,0,0|1,0,0]=3 499 B7R1.3 c1cc(nnc1)O PB32258 [2,0,0,0,0,0|1,0,1]=4 500 B7R1.3 c1cnc(cn1)Br MB06072 [2,0,0,0,0,0|2,0,0]=4 501 B7R1.3 c1cnc(cn1)I AB08841 [2,0,0,0,0,0|2,0,0]=4 502 B7R1.3 c1cnc(cn1)N PB30528 [2,0,0,0,0,0|1,0,0]=3 503 B7R1.3 c1cnc(cn1)O AB05056 [2,0,0,0,0,0|1,0,1]=4 504 B7R1.3 c1cnnc(n1)N AB00769 [2,0,0,0,0,0|2,0,0]=4 505 B7R1.3 c1cnncc1Br AB48350 [2,0,0,0,0,0|2,0,0]=4 506 B7R1.3 c1cnncc1Cl AB50535 [2,0,0,0,0,0|2,0,0]=4 507 B7R1.3 c1cnncc1I AB70137 [2,0,0,0,0,0|2,0,0]=4 508 B7R1.3 c1cnncc1N PB29051 [2,0,0,0,0,0|1,0,0]=3 509 B7R1.3 c1cnncc1N PB39062 [2,0,0,0,0,0|1,0,0]=3 510 B9R1.1 C#Cc1ccc(nc1)Br AB68991 [1,1,0,0,0,0|1,0,1]=4 511 B9R1.1 C#Cc1ccc(nc1)Cl AB61374 [1,1,0,0,0,0|1,0,1]=4 512 B9R1.1 C#Cc1ccc(nc1)F AB66584 [1,1,0,0,0,0|1,0,1]=4 513 B9R1.1 C#Cc1ccc(nc1)N AB66565 [1,1,0,0,0,0|1,0,1]=4 514 B9R1.1 C#Cc1ccc(nc1)O AB69001 [1,1,0,0,0,0|1,0,1]=4 515 B9R1.1 C1C(=O)N=CC(=N1)C=O AB60510 [1,1,0,0,0,0|1,0,1]=4 516 B9R1.1 C1C=C(C=NC1=O)CN PB26360 [1,1,0,0,0,0|0,0,2]=4 517 B9R1.1 C=Cc1cnc(nc1)N MB09950 [1,1,0,0,0,0|2,0,0]=4 518 B9R1.1 CCc1ccc(nc1)Br MB10294 [1,1,0,0,0,0|1,0,1]=4 519 B9R1.1 CNc1ccc(nc1)Br MB01005 [1,1,0,0,0,0|2,0,0]=4 520 B9R1.1 CNc1ccc(nc1)Cl AB60605 [1,1,0,0,0,0|2,0,0]=4 521 B9R1.1 COc1ccc(nc1)Br PB22062 [1,1,0,0,0,0|2,0,0]=4 522 B9R1.1 COc1ccc(nc1)Cl AB25956 [1,1,0,0,0,0|2,0,0]=4 523 B9R1.1 COc1ccc(nc1)F AB66773 [1,1,0,0,0,0|2,0,0]=4 524 B9R1.1 COc1ccc(nc1)I AB11726 [1,1,0,0,0,0|2,0,0]=4 525 B9R1.1 COc1ccc(nc1)N PB14487 [1,1,0,0,0,0|2,0,0]=4 526 B9R1.1 CSc1ccc(nc1)Br MB03440 [1,1,0,0,0,0|2,0,0]=4 527 B9R1.1 Cc1ccc(cn1)C#N PB30561 [1,1,0,0,0,0|0,0,2]=4 528 B9R1.1 Cc1ccc(cn1)C=C PB17233 [1,1,0,0,0,0|1,0,0]=3 529 B9R1.1 Cc1ccc(cn1)C=O PB17503 [1,1,0,0,0,0|0,0,0]=2 530 B9R1.1 Cc1ccc(cn1)CCl AB59938 [1,1,0,0,0,0|1,0,1]=4 531 B9R1.1 Cc1ccc(cn1)CN PB20145 [1,1,0,0,0,0|0,0,1]=3 532 B9R1.1 Cc1ccc(cn1)NN PB15841 [1,1,0,0,0,0|1,0,0]=3 533 B9R1.1 Cc1ccc(cn1)OC AB52739 [1,1,0,0,0,0|2,0,0]=4 534 B9R1.1 Cc1ccc(nc1)C=O AB31466 [1,1,0,0,0,0|2,0,0]=4 535 B9R1.1 Cc1ccc(nn1)C=O AB44106 [1,1,0,0,0,0|1,0,0]=3 536 B9R1.1 Cc1ccc(nn1)CN PB19500 [1,1,0,0,0,0|1,0,1]=4 537 B9R1.1 Cc1ccc(nn1)NN AB02752 [1,1,0,0,0,0|2,0,0]=4 538 B9R1.1 Cc1cnc(cn1)C=O PB23818 [1,1,0,0,0,0|1,0,0]=3 539 B9R1.1 Cc1cnc(cn1)CN PB33936 [1,1,0,0,0,0|1,0,1]=4 540 B9R1.1 Cc1ncc(cn1)C=O PB13046 [1,1,0,0,0,0|1,0,0]=3 541 B9R1.1 Cc1ncc(cn1)CN PB14812 [1,1,0,0,0,0|1,0,1]=4 542 B9R1.1 c1c(cnc(n1)Cl)C=O PB31481 [1,1,0,0,0,0|1,0,0]=3 543 B9R1.1 c1c(cnc(n1)Cl)CN PB34524 [1,1,0,0,0,0|1,0,1]=4 544 B9R1.1 c1c(cnc(n1)N)C=O PB12291 [1,1,0,0,0,0|1,0,0]=3 545 B9R1.1 c1c(cnc(n1)N)CN AB58502 [1,1,0,0,0,0|1,0,1]=4 546 B9R1.1 c1c(cnc(n1)O)C=O AB58472 [1,1,0,0,0,0|1,0,0]=3 547 B9R1.1 c1c(cnc(n1)O)CN AB58547 [1,1,0,0,0,0|1,0,1]=4 548 B9R1.1 c1c(ncc(n1)Cl)C=O PB20478 [1,1,0,0,0,0|1,0,0]=3 549 B9R1.1 c1c(ncc(n1)Cl)CN AB62419 [1,1,0,0,0,0|1,0,1]=4 550 B9R1.1 c1c(ncc(n1)Cl)NN PB28798 [1,1,0,0,0,0|2,0,0]=4 551 B9R1.1 c1cc(ccc1CN)O AB11678 [1,1,0,0,0,0|1,0,1]=4 552 B9R1.1 c1cc(ncc1Br)C=O PB30785 [1,1,0,0,0,0|2,0,0]=4 553 B9R1.1 c1cc(ncc1C#N)Br AB05142 [1,1,0,0,0,0|0,0,2]=4 554 B9R1.1 c1cc(ncc1C#N)Cl AB03166 [1,1,0,0,0,0|0,0,2]=4 555 B9R1.1 c1cc(ncc1C#N)F PB16124 [1,1,0,0,0,0|0,0,2]=4 556 B9R1.1 c1cc(ncc1C#N)O PB17354 [1,1,0,0,0,0|0,0,2]=4 557 B9R1.1 c1cc(ncc1C=O)Br PB27654 [1,1,0,0,0,0|0,0,0]=2 558 B9R1.1 c1cc(ncc1C=O)Cl PB18586 [1,1,0,0,0,0|0,0,0]=2 559 B9R1.1 c1cc(ncc1C=O)F PB23560 [1,1,0,0,0,0|0,0,0]=2 560 B9R1.1 c1cc(ncc1C=O)N PB19003 [1,1,0,0,0,0|0,0,0]=2 561 B9R1.1 c1cc(ncc1CBr)F PB28287 [1,1,0,0,0,0|1,0,1]=4 562 B9R1.1 c1cc(ncc1CCl)Br AB59933 [1,1,0,0,0,0|1,0,1]=4 563 B9R1.1 c1cc(ncc1CCl)Cl AB03513 [1,1,0,0,0,0|1,0,1]=4 564 B9R1.1 c1cc(ncc1CCl)Cl AB59950 [1,1,0,0,0,0|1,0,1]=4 565 B9R1.1 c1cc(ncc1CCl)F PB13291 [1,1,0,0,0,0|1,0,1]=4 566 B9R1.1 c1cc(ncc1CCl)N AB59930 [1,1,0,0,0,0|1,0,1]=4 567 B9R1.1 c1cc(ncc1CN)Br AB27793 [1,1,0,0,0,0|0,0,1]=3 568 B9R1.1 c1cc(ncc1CN)Cl PB17175 [1,1,0,0,0,0|0,0,1]=3 569 B9R1.1 c1cc(ncc1CN)F PB19133 [1,1,0,0,0,0|0,0,1]=3 570 B9R1.1 c1cc(ncc1CO)Br PB14409 [1,1,0,0,0,0|0,0,2]=4 571 B9R1.1 c1cc(ncc1CO)Cl PB17199 [1,1,0,0,0,0|0,0,2]=4 572 B9R1.1 c1cc(ncc1CO)F PB14327 [1,1,0,0,0,0|0,0,2]=4 573 B9R1.1 c1cc(ncc1CO)N PB26211 [1,1,0,0,0,0|0,0,2]=4 574 B9R1.1 c1cc(ncc1Cl)C=O AB44880 [1,1,0,0,0,0|2,0,0]=4 575 B9R1.1 c1cc(ncc1F)C=O AB42648 [1,1,0,0,0,0|2,0,0]=4 576 B9R1.1 c1cc(ncc1N)C=O AB67740 [1,1,0,0,0,0|2,0,0]=4 577 B9R1.1 c1cc(ncc1O)C=O AB59867 [1,1,0,0,0,0|2,0,0]=4 578 B9R1.1 c1cc(nnc1C=O)Cl PB13298 [1,1,0,0,0,0|1,0,0]=3 579 B9R1.1 c1cc(nnc1CN)Cl AB61132 [1,1,0,0,0,0|1,0,1]=4 580 B9R1.1 c1cc(nnc1NN)Cl PB30576 [1,1,0,0,0,0|2,0,0]=4 581 B9R1.2 C#Cc1cc(cnc1)Br AB61376 [1,1,0,0,0,0|1,0,1]=4 582 B9R1.2 C#Cc1cc(cnc1)Cl AB52703 [1,1,0,0,0,0|1,0,1]=4 583 B9R1.2 C#Cc1cc(cnc1)F AB66583 [1,1,0,0,0,0|1,0,1]=4 584 B9R1.2 C#Cc1cc(cnc1)N AB71894 [1,1,0,0,0,0|1,0,1]=4 585 B9R1.2 CCc1cc(cnc1)Br PB34416 [1,1,0,0,0,0|1,0,1]=4 586 B9R1.2 CCc1cc(cnc1)O MB12329 [1,1,0,0,0,0|1,0,1]=4 587 B9R1.2 CNc1cc(cnc1)Br MB13417 [1,1,0,0,0,0|2,0,0]=4 588 B9R1.2 CNc1cc(cnc1)O MB32689 [1,1,0,0,0,0|2,0,0]=4 589 B9R1.2 COc1cc(cnc1)Br PB24634 [1,1,0,0,0,0|2,0,0]=4 590 B9R1.2 COc1cc(cnc1)Cl AB55073 [1,1,0,0,0,0|2,0,0]=4 591 B9R1.2 COc1cc(cnc1)F AB66777 [1,1,0,0,0,0|2,0,0]=4 592 B9R1.2 COc1cc(cnc1)I AB43793 [1,1,0,0,0,0|2,0,0]=4 593 B9R1.2 COc1cc(cnc1)N PB12653 [1,1,0,0,0,0|2,0,0]=4 594 B9R1.2 COc1cc(cnc1)N PB25488 [1,1,0,0,0,0|2,0,0]=4 595 B9R1.2 COc1cc(cnc1)O AB29711 [1,1,0,0,0,0|2,0,0]=4 596 B9R1.2 CSc1cc(cnc1)Br MB06469 [1,1,0,0,0,0|2,0,0]=4 597 B9R1.2 CSc1cc(cnc1)O MB28894 [1,1,0,0,0,0|2,0,0]=4 598 B9R1.2 Cc1cc(ccn1)C=O AB24827 [1,1,0,0,0,0|2,0,0]=4 599 B9R1.2 Cc1cc(cnc1)C=O PB18860 [1,1,0,0,0,0|0,0,0]=2 600 B9R1.2 Cc1cc(cnc1)CCl AB55820 [1,1,0,0,0,0|1,0,1]=4 601 B9R1.2 Cc1cc(cnc1)CN AB23459 [1,1,0,0,0,0|0,0,1]=3 602 B9R1.2 Cc1cc(cnc1)CO PB10532 [1,1,0,0,0,0|0,0,2]=4 603 B9R1.2 Cc1cc(cnc1)OC AB64998 [1,1,0,0,0,0|2,0,0]=4 604 B9R1.2 Cc1cc(nnc1)CN PB37868 [1,1,0,0,0,0|1,0,1]=4 605 B9R1.2 Cc1cccc(n1)C=O AB00683 [1,1,0,0,0,0|2,0,0]=4 606 B9R1.2 Cc1cncc(n1)C=O AB62637 [1,1,0,0,0,0|1,0,0]=3 607 B9R1.2 Cc1cncc(n1)CN AB72296 [1,1,0,0,0,0|1,0,1]=4 608 B9R1.2 c1c(cncc1Br)C#N PB14142 [1,1,0,0,0,0|0,0,2]=4 609 B9R1.2 c1c(cncc1Br)C=O PB10234 [1,1,0,0,0,0|0,0,0]=2 610 B9R1.2 c1c(cncc1Br)CCl AB60029 [1,1,0,0,0,0|1,0,1]=4 611 B9R1.2 c1c(cncc1Br)CCl PB25120 [1,1,0,0,0,0|1,0,1]=4 612 B9R1.2 c1c(cncc1Br)CN PB23445 [1,1,0,0,0,0|0,0,1]=3 613 B9R1.2 c1c(cncc1Br)CO PB29242 [1,1,0,0,0,0|0,0,2]=4 614 B9R1.2 c1c(cncc1Cl)C#N AB14095 [1,1,0,0,0,0|0,0,2]=4 615 B9R1.2 c1c(cncc1Cl)C=O PB29540 [1,1,0,0,0,0|0,0,0]=2 616 B9R1.2 c1c(cncc1Cl)CCl AB60038 [1,1,0,0,0,0|1,0,1]=4 617 B9R1.2 c1c(cncc1Cl)CCl PB33259 [1,1,0,0,0,0|1,0,1]=4 618 B9R1.2 c1c(cncc1Cl)CN AB63152 [1,1,0,0,0,0|0,0,1]=3 619 B9R1.2 c1c(cncc1F)C#N AB49149 [1,1,0,0,0,0|0,0,2]=4 620 B9R1.2 c1c(cncc1F)C=O PB12469 [1,1,0,0,0,0|0,0,0]=2 621 B9R1.2 c1c(cncc1F)CCl PB35002 [1,1,0,0,0,0|1,0,1]=4 622 B9R1.2 c1c(cncc1F)CN PB29533 [1,1,0,0,0,0|0,0,1]=3 623 B9R1.2 c1c(cncc1F)CO PB12255 [1,1,0,0,0,0|0,0,2]=4 624 B9R1.2 c1c(cncc1I)C=O AB45533 [1,1,0,0,0,0|0,0,0]=2 625 B9R1.2 c1c(cncc1I)CCl AB45545 [1,1,0,0,0,0|1,0,1]=4 626 B9R1.2 c1c(cncc1I)CO AB45541 [1,1,0,0,0,0|0,0,2]=4 627 B9R1.2 c1c(cncc1N)C#N AB31378 [1,1,0,0,0,0|0,0,2]=4 628 B9R1.2 c1c(cncc1N)C=O AB67741 [1,1,0,0,0,0|0,0,0]=2 629 B9R1.2 c1c(cncc1N)CN AB31384 [1,1,0,0,0,0|0,0,1]=3 630 B9R1.2 c1c(cncc1N)CO AB31625 [1,1,0,0,0,0|0,0,2]=4 631 B9R1.2 c1c(cncc1O)C#N MB09110 [1,1,0,0,0,0|0,0,2]=4 632 B9R1.2 c1c(cncc1O)C=O AB67779 [1,1,0,0,0,0|0,0,0]=2 633 B9R1.2 c1c(cncc1O)CN MB28837 [1,1,0,0,0,0|0,0,1]=3 634 B9R1.2 c1c(nc(cn1)Cl)C=O PB16295 [1,1,0,0,0,0|1,0,0]=3 635 B9R1.2 c1c(nc(cn1)Cl)CN PB19729 [1,1,0,0,0,0|1,0,1]=4 636 B9R1.2 c1cc(cc(c1)Br)NN AB11945 [1,1,0,0,0,0|2,0,0]=4 637 B9R1.2 c1cc(nc(c1)Br)C=O PB27582 [1,1,0,0,0,0|2,0,0]=4 638 B9R1.2 c1cc(nc(c1)Cl)C=O AB52723 [1,1,0,0,0,0|2,0,0]=4 639 B9R1.2 c1cc(nc(c1)F)C=O AB13533 [1,1,0,0,0,0|2,0,0]=4 640 B9R1.2 c1cnc(cc1Br)C=O PB10584 [1,1,0,0,0,0|2,0,0]=4 641 B9R1.2 c1cnc(cc1C=O)Br AB17326 [1,1,0,0,0,0|2,0,0]=4 642 B9R1.2 c1cnc(cc1C=O)Cl PB21899 [1,1,0,0,0,0|2,0,0]=4 643 B9R1.2 c1cnc(cc1C=O)F AB24818 [1,1,0,0,0,0|2,0,0]=4 644 B9R1.2 c1cnc(cc1Cl)C=O PB32513 [1,1,0,0,0,0|2,0,0]=4 645 B9R1.2 c1cnc(cc1F)C=O AB68024 [1,1,0,0,0,0|2,0,0]=4 646 B9R1.2 c1cnc(cc1N)C=O AB68102 [1,1,0,0,0,0|2,0,0]=4 647 B9R1.2 c1cnc(cc1O)C=O AB68125 [1,1,0,0,0,0|2,0,0]=4 648 B9R1.8 C#CCc1cccnc1 AB61408 [1,1,0,0,0,0|1,0,1]=4 649 B9R1.8 CNCc1cccnc1 AB01384 [1,1,0,0,0,0|0,0,1]=3 650 B9R1.8 CNCc1ccnnc1 PB24326 [1,1,0,0,0,0|1,0,1]=4 651 B9R1.8 CNCc1cnccn1 PB18749 [1,1,0,0,0,0|1,0,1]=4 652 B9R1.8 CNCc1cncnc1 PB33284 [1,1,0,0,0,0|1,0,1]=4 653 B9R1.8 c1c(cncn1)CC=O AB57639 [1,1,0,0,0,0|1,0,0]=3 654 B9R1.8 c1c(cncn1)CCN AB45406 [1,1,0,0,0,0|1,0,1]=4 655 B9R1.8 c1c(cncn1)CNN PB19654 [1,1,0,0,0,0|1,0,1]=4 656 B9R1.8 c1cc(cnc1)CCN AB04606 [1,1,0,0,0,0|0,0,1]=3 657 B9R1.8 c1cc(cnc1)CNN PB16271 [1,1,0,0,0,0|0,0,1]=3 658 B9R1.8 c1cc(cnc1)N=C=O AB08187 [1,1,0,0,0,0|0,0,1]=3 659 B9R1.8 c1cc(nnc1)CCN AB61130 [1,1,0,0,0,0|1,0,1]=4 660 B9R1.8 c1cc(nnc1)CNN PB37174 [1,1,0,0,0,0|1,0,1]=4 661 B9R1.8 c1ccc(cc1)\C=C\Br AB00116 [1,1,0,0,0,0|2,0,0]=4 662 B9R1.8 c1ccc(cc1)\C=N/O AB02488 [1,1,0,0,0,0|1,0,1]=4 663 B9R1.8 c1ccnc(c1)CC=O AB61426 [1,1,0,0,0,0|2,0,0]=4 664 B9R1.8 c1cnc(cn1)CC=O AB57650 [1,1,0,0,0,0|1,0,0]=3 665 B9R1.8 c1cnc(cn1)CCN AB22666 [1,1,0,0,0,0|1,0,1]=4 666 B9R1.8 c1cnc(cn1)CNN PB20222 [1,1,0,0,0,0|1,0,1]=4 667 B9R1.8 c1cnc(cn1)\C=N\O AB84941 [1,1,0,0,0,0|1,0,1]=4 668 B9R1.8 c1cnncc1CCN AB62610 [1,1,0,0,0,0|1,0,1]=4 669 B9R1.8 c1cnncc1CNN PB35490 [1,1,0,0,0,0|1,0,1]=4 670 B9R1.15 C#Cc1cccnc1Br AB69072 [1,1,0,0,0,0|1,0,1]=4 671 B9R1.15 C#Cc1cccnc1Cl AB69069 [1,1,0,0,0,0|1,0,1]=4 672 B9R1.15 C#Cc1cccnc1N AB66567 [1,1,0,0,0,0|1,0,1]=4 673 B9R1.15 C#Cc1cccnc1O AB69073 [1,1,0,0,0,0|1,0,1]=4 674 B9R1.15 C#Cc1cnccc1Br AB69055 [1,1,0,0,0,0|1,0,1]=4 675 B9R1.15 C#Cc1cnccc1Cl AB69058 [1,1,0,0,0,0|1,0,1]=4 676 B9R1.15 CCc1cnccc1Br PB37149 [1,1,0,0,0,0|1,0,1]=4 677 B9R1.15 CCc1cnccc1O MB24095 [1,1,0,0,0,0|1,0,1]=4 678 B9R1.15 CNc1cccnc1Br AB39252 [1,1,0,0,0,0|2,0,0]=4 679 B9R1.15 CNc1cnccc1O MB29366 [1,1,0,0,0,0|2,0,0]=4 680 B9R1.15 COc1cccnc1Br PB29151 [1,1,0,0,0,0|2,0,0]=4 681 B9R1.15 COc1cccnc1Cl AB14749 [1,1,0,0,0,0|2,0,0]=4 682 B9R1.15 COc1cccnc1I AB05182 [1,1,0,0,0,0|2,0,0]=4 683 B9R1.15 COc1cccnc1N AB40614 [1,1,0,0,0,0|2,0,0]=4 684 B9R1.15 COc1cccnc1O AB43293 [1,1,0,0,0,0|2,0,0]=4 685 B9R1.15 COc1cnccc1Br AB43705 [1,1,0,0,0,0|2,0,0]=4 686 B9R1.15 COc1cnccc1Br MB09674 [1,1,0,0,0,0|2,0,0]=4 687 B9R1.15 COc1cnccc1Cl AB66368 [1,1,0,0,0,0|2,0,0]=4 688 B9R1.15 COc1cnccc1F AB66590 [1,1,0,0,0,0|2,0,0]=4 689 B9R1.15 COc1cnccc1N AB55709 [1,1,0,0,0,0|2,0,0]=4 690 B9R1.15 COc1cnccc1O MB25455 [1,1,0,0,0,0|2,0,0]=4 691 B9R1.15 CSc1cccnc1Br MB13966 [1,1,0,0,0,0|2,0,0]=4 692 B9R1.15 CSc1cnccc1O MB31499 [1,1,0,0,0,0|2,0,0]=4 693 B9R1.15 Cc1c(cccn1)C#C AB66573 [1,1,0,0,0,0|1,0,1]=4 694 B9R1.15 Cc1c(cccn1)C#N PB23449 [1,1,0,0,0,0|0,0,2]=4 695 B9R1.15 Cc1c(cccn1)C=O PB27878 [1,1,0,0,0,0|0,0,0]=2 696 B9R1.15 Cc1c(cccn1)CBr PB19196 [1,1,0,0,0,0|1,0,1]=4 697 B9R1.15 Cc1c(cccn1)CCl AB51469 [1,1,0,0,0,0|1,0,1]=4 698 B9R1.15 Cc1c(cccn1)CCl PB28159 [1,1,0,0,0,0|1,0,1]=4 699 B9R1.15 Cc1c(cccn1)CN AB14093 [1,1,0,0,0,0|0,0,1]=3 700 B9R1.15 Cc1c(cccn1)CO AB01512 [1,1,0,0,0,0|0,0,2]=4 701 B9R1.15 Cc1c(cccn1)OC AB03569 [1,1,0,0,0,0|2,0,0]=4 702 B9R1.15 Cc1c(nccn1)C=O PB13166 [1,1,0,0,0,0|1,0,0]=3 703 B9R1.15 Cc1c(nccn1)CN PB38635 [1,1,0,0,0,0|1,0,1]=4 704 B9R1.15 Cc1cccnc1C=O PB14292 [1,1,0,0,0,0|2,0,0]=4 705 B9R1.15 Cc1ccncc1C#C AB66569 [1,1,0,0,0,0|1,0,1]=4 706 B9R1.15 Cc1ccncc1C#N PB24636 [1,1,0,0,0,0|0,0,2]=4 707 B9R1.15 Cc1ccncc1C=O PB23498 [1,1,0,0,0,0|0,0,0]=2 708 B9R1.15 Cc1ccncc1CCl PB22427 [1,1,0,0,0,0|1,0,1]=4 709 B9R1.15 Cc1ccncc1CN PB14440 [1,1,0,0,0,0|0,0,1]=3 710 B9R1.15 Cc1ccncc1CO PB21746 [1,1,0,0,0,0|0,0,2]=4 711 B9R1.15 Cc1ccnnc1CN PB36913 [1,1,0,0,0,0|1,0,1]=4 712 B9R1.15 Cc1cnccc1C=O AB11481 [1,1,0,0,0,0|2,0,0]=4 713 B9R1.15 Cc1cnncc1CN PB36093 [1,1,0,0,0,0|1,0,1]=4 714 B9R1.15 c1c(c(ncn1)Cl)C=O AB65173 [1,1,0,0,0,0|1,0,0]=3 715 B9R1.15 c1c(c(ncn1)N)C=O AB55705 [1,1,0,0,0,0|1,0,0]=3 716 B9R1.15 c1cc(c(nc1)Br)C#N AB05139 [1,1,0,0,0,0|0,0,2]=4 717 B9R1.15 c1cc(c(nc1)Br)C=O AB20862 [1,1,0,0,0,0|0,0,0]=2 718 B9R1.15 c1cc(c(nc1)Br)CBr MB06085 [1,1,0,0,0,0|1,0,1]=4 719 B9R1.15 c1cc(c(nc1)Br)CCl AB60077 [1,1,0,0,0,0|1,0,1]=4 720 B9R1.15 c1cc(c(nc1)Br)CN AB41824 [1,1,0,0,0,0|0,0,1]=3 721 B9R1.15 c1cc(c(nc1)Br)CO AB44846 [1,1,0,0,0,0|0,0,2]=4 722 B9R1.15 c1cc(c(nc1)C=O)Br AB42598 [1,1,0,0,0,0|2,0,0]=4 723 B9R1.15 c1cc(c(nc1)C=O)F PB22063 [1,1,0,0,0,0|2,0,0]=4 724 B9R1.15 c1cc(c(nc1)C=O)N AB42378 [1,1,0,0,0,0|2,0,0]=4 725 B9R1.15 c1cc(c(nc1)C=O)O PB12355 [1,1,0,0,0,0|2,0,0]=4 726 B9R1.15 c1cc(c(nc1)Cl)C#N AB01170 [1,1,0,0,0,0|0,0,2]=4 727 B9R1.15 c1cc(c(nc1)Cl)C=O PB27532 [1,1,0,0,0,0|0,0,0]=2 728 B9R1.15 c1cc(c(nc1)Cl)CCl PB14751 [1,1,0,0,0,0|1,0,1]=4 729 B9R1.15 c1cc(c(nc1)Cl)CO PB27555 [1,1,0,0,0,0|0,0,2]=4 730 B9R1.15 c1cc(c(nc1)F)C=O AB13640 [1,1,0,0,0,0|0,0,0]=2 731 B9R1.15 c1cc(c(nc1)F)CCl AB60073 [1,1,0,0,0,0|1,0,1]=4 732 B9R1.15 c1cc(c(nc1)F)CN AB23466 [1,1,0,0,0,0|0,0,1]=3 733 B9R1.15 c1cc(c(nc1)N)C#N AB03606 [1,1,0,0,0,0|0,0,2]=4 734 B9R1.15 c1cc(c(nc1)N)C=O AB09963 [1,1,0,0,0,0|0,0,0]=2 735 B9R1.15 c1cc(c(nc1)N)CCl AB21190 [1,1,0,0,0,0|1,0,1]=4 736 B9R1.15 c1cc(c(nc1)N)CO PB32383 [1,1,0,0,0,0|0,0,2]=4 737 B9R1.15 c1cc(c(nc1)O)C#N PB21004 [1,1,0,0,0,0|0,0,2]=4 738 B9R1.15 c1cc(c(nc1)O)C=O AB55041 [1,1,0,0,0,0|0,0,0]=2 739 B9R1.15 c1cc(c(nc1)O)CO AB52938 [1,1,0,0,0,0|0,0,2]=4 740 B9R1.15 c1ccc(c(c1)C=O)I PB15618 [1,1,0,0,0,0|1,0,0]=3 741 B9R1.15 c1ccc(c(c1)CN)O MB01565 [1,1,0,0,0,0|1,0,1]=4 742 B9R1.15 c1cnc(c(n1)C=O)Cl AB32644 [1,1,0,0,0,0|1,0,0]=3 743 B9R1.15 c1cnc(c(n1)C=O)N PB10822 [1,1,0,0,0,0|1,0,0]=3 744 B9R1.15 c1cnc(c(n1)CN)Cl PB12787 [1,1,0,0,0,0|1,0,1]=4 745 B9R1.15 c1cnc(c(n1)CN)N AB53146 [1,1,0,0,0,0|1,0,1]=4 746 B9R1.15 c1cnc(c(n1)NN)Cl PB16012 [1,1,0,0,0,0|2,0,0]=4 747 B9R1.15 c1cncc(c1Br)C#N AB48189 [1,1,0,0,0,0|0,0,2]=4 748 B9R1.15 c1cncc(c1Br)C=O AB25683 [1,1,0,0,0,0|0,0,0]=2 749 B9R1.15 c1cncc(c1Br)C=O AB53933 [1,1,0,0,0,0|0,0,0]=2 750 B9R1.15 c1cncc(c1Br)CCl AB67965 [1,1,0,0,0,0|1,0,1]=4 751 B9R1.15 c1cncc(c1Br)CN AB67954 [1,1,0,0,0,0|0,0,1]=3 752 B9R1.15 c1cncc(c1C=O)Br PB17335 [1,1,0,0,0,0|2,0,0]=4 753 B9R1.15 c1cncc(c1C=O)Cl AB23043 [1,1,0,0,0,0|2,0,0]=4 754 B9R1.15 c1cncc(c1C=O)F PB32422 [1,1,0,0,0,0|2,0,0]=4 755 B9R1.15 c1cncc(c1C=O)N PB20170 [1,1,0,0,0,0|2,0,0]=4 756 B9R1.15 c1cncc(c1C=O)O AB08714 [1,1,0,0,0,0|2,0,0]=4 757 B9R1.15 c1cncc(c1Cl)C#N AB43637 [1,1,0,0,0,0|0,0,2]=4 758 B9R1.15 c1cncc(c1Cl)C=O AB17590 [1,1,0,0,0,0|0,0,0]=2 759 B9R1.15 c1cncc(c1Cl)CCl AB60091 [1,1,0,0,0,0|1,0,1]=4 760 B9R1.15 c1cncc(c1Cl)CN AB49675 [1,1,0,0,0,0|0,0,1]=3 761 B9R1.15 c1cncc(c1F)C#N AB17580 [1,1,0,0,0,0|0,0,2]=4 762 B9R1.15 c1cncc(c1F)C=O AB32109 [1,1,0,0,0,0|0,0,0]=2 763 B9R1.15 c1cncc(c1F)CCl AB68054 [1,1,0,0,0,0|1,0,1]=4 764 B9R1.15 c1cncc(c1F)CN AB68023 [1,1,0,0,0,0|0,0,1]=3 765 B9R1.15 c1cncc(c1N)C#N AB16952 [1,1,0,0,0,0|0,0,2]=4 766 B9R1.15 c1cncc(c1N)C=O AB12471 [1,1,0,0,0,0|0,0,0]=2 767 B9R1.15 c1cncc(c1N)C=O PB27639 [1,1,0,0,0,0|0,0,0]=2 768 B9R1.15 c1cncc(c1N)CCl AB31893 [1,1,0,0,0,0|1,0,1]=4 769 B9R1.15 c1cncc(c1N)CO PB14435 [1,1,0,0,0,0|0,0,2]=4 770 B9R1.15 c1cncc(c1O)C#N MB01597 [1,1,0,0,0,0|0,0,2]=4 771 B9R1.15 c1cncc(c1O)C=O AB59870 [1,1,0,0,0,0|0,0,0]=2 772 B9R1.15 c1cncc(c1O)CN MB35531 [1,1,0,0,0,0|0,0,1]=3 773 B9R1.15 c1nc(c(nn1)Cl)C=O AB72441 [1,1,0,0,0,0|2,0,0]=4 774 B9R1.11 C1=NC=NC1C(=O)NN AB53404 [0,1,0,0,1,0|1,0,1]=4 775 B9R1.11 C1C=C(N=N1)C(=O)NN PB12701 [0,1,0,0,1,0|1,0,1]=4 776 B9R1.11 C1C=NC(=N1)C(=O)NN AB28011 [0,1,0,0,1,0|1,0,1]=4 777 B9R1.11 CNC(=O)C1=CN=NC1 MB11645 [0,1,0,0,1,0|1,0,1]=4 778 B9R1.11 COC(=O)C1=CN=CC1 AB07842 [0,1,0,0,1,0|1,0,1]=4 779 B9R1.11 COC(=O)c1[nH]ccn1 PB18713 [0,1,0,0,1,0|2,0,0]=4 780 B9R1.11 COC(=O)c1ccsc1 PB18711 [0,1,0,0,1,0|2,0,0]=4 781 B9R1.11 COC(=O)c1cncs1 AB16044 [0,1,0,0,1,0|2,0,0]=4 782 B9R1.11 COC(=O)c1cnoc1 AB39248 [0,1,0,0,1,0|2,0,0]=4 783 B9R1.11 COC(=O)c1cscn1 AB25133 [0,1,0,0,1,0|2,0,0]=4 784 B9R1.11 COC(=O)c1ncco1 AB42108 [0,1,0,0,1,0|2,0,0]=4 785 B9R1.11 c1c(con1)C(=O)NN AB29325 [0,1,0,0,1,0|1,0,0]=3 786 B9R1.11 c1c(nco1)C(=O)NN AB28148 [0,1,0,0,1,0|1,0,0]=3 787 B9R1.11 c1c(ncs1)C(=O)NN AB06544 [0,1,0,0,1,0|1,0,0]=3 788 B9R1.11 c1c(ocn1)C(=O)NN AB19294 [0,1,0,0,1,0|1,0,0]=3 789 B9R1.11 c1c(scn1)C(=O)NN AB28338 [0,1,0,0,1,0|1,0,0]=3 790 B9R1.11 c1cc(oc1)C(=O)C=O AB04785 [0,1,0,0,1,0|2,0,0]=4 791 B9R1.11 c1cc(oc1)C(=O)C=O AB49990 [0,1,0,0,1,0|2,0,0]=4 792 B9R1.11 c1cc(sc1)C(=O)C=O AB48645 [0,1,0,0,1,0|2,0,0]=4 793 B9R1.11 c1cc(sc1)C(=O)O[Cu] AB11500 [0,1,0,0,1,0|2,0,0]=4 794 B9R1.11 c1coc(n1)C(=O)NN AB19281 [0,1,0,0,1,0|1,0,0]=3 795 B9R1.11 c1cocc1C(=O)NN MB02283 [0,1,0,0,1,0|1,0,0]=3 796 B9R1.11 c1conc1C(=O)NN AB28024 [0,1,0,0,1,0|1,0,0]=3 797 B9R1.11 c1csc(n1)C(=O)NN AB09732 [0,1,0,0,1,0|1,0,0]=3 798 B9R1.11 c1cscc1C(=O)NN MB01758 [0,1,0,0,1,0|1,0,0]=3 799 B9R1.35 C1=C(N=CC1N)C(=O)O AB43641 [0,1,0,0,1,0|1,0,1]=4 800 B9R1.35 C1=NC(=O)N=C1C(=O)O AB09197 [0,1,0,0,1,0|2,0,0]=4 801 B9R1.35 C1C=C(N=C1Br)C(=O)N PB34419 [0,1,0,0,1,0|0,0,1]=3 802 B9R1.35 C1C=C(N=C1Br)C(=O)O MB19809 [0,1,0,0,1,0|1,0,1]=4 803 B9R1.35 CC(=O)C1=NC=C(C1)Cl AB52884 [0,1,0,0,1,0|1,0,1]=4 804 B9R1.35 CC(=O)c1cc(cs1)Cl PB13009 [0,1,0,0,1,0|2,0,0]=4 805 B9R1.35 CC(=O)c1cc(sc1)Br AB71462 [0,1,0,0,1,0|2,0,0]=4 806 B9R1.35 CC(=O)c1cc(sc1)Cl PB18443 [0,1,0,0,1,0|2,0,0]=4 807 B9R1.35 CC(=O)c1ccc(o1)Br AB25597 [0,1,0,0,1,0|2,0,0]=4 808 B9R1.35 CC(=O)c1ccc(s1)Br PB24550 [0,1,0,0,1,0|2,0,0]=4 809 B9R1.35 CC(=O)c1ccc(s1)Cl PB11578 [0,1,0,0,1,0|2,0,0]=4 810 B9R1.35 CC(=O)c1cnc(o1)N AB54806 [0,1,0,0,1,0|2,0,0]=4 811 B9R1.35 CC(=O)c1cnc(s1)Br AB69536 [0,1,0,0,1,0|2,0,0]=4 812 B9R1.35 CC(=O)c1cnc(s1)N AB07075 [0,1,0,0,1,0|2,0,0]=4 813 B9R1.35 CC(=O)c1coc(n1)Cl AB77007 [0,1,0,0,1,0|2,0,0]=4 814 B9R1.35 CC(=O)c1nc(cs1)Br AB59795 [0,1,0,0,1,0|2,0,0]=4 815 B9R1.35 CC(=O)c1ncc(s1)Br PB19039 [0,1,0,0,1,0|2,0,0]=4 816 B9R1.35 CC(=O)c1ncc(s1)Cl PB35653 [0,1,0,0,1,0|2,0,0]=4 817 B9R1.35 Cc1[nH]c(cn1)C(=O)C AB51549 [0,1,0,0,1,0|2,0,0]=4 818 B9R1.35 Cc1[nH]c(cn1)C(=O)O AB05025 [0,1,0,0,1,0|2,0,0]=4 819 B9R1.35 Cc1cc(cs1)C(=O)O PB14265 [0,1,0,0,1,0|2,0,0]=4 820 B9R1.35 Cc1cc(no1)C(=O)O CB10494 [0,1,0,0,1,0|2,0,0]=4 821 B9R1.35 Cc1cc(sc1)C(=O)O PB14117 [0,1,0,0,1,0|2,0,0]=4 822 B9R1.35 Cc1ccc(s1)C(=O)C AB01148 [0,1,0,0,1,0|2,0,0]=4 823 B9R1.35 Cc1ccc(s1)C(=O)O AB00425 [0,1,0,0,1,0|2,0,0]=4 824 B9R1.35 Cc1cnc(o1)C(=O)O AB53258 [0,1,0,0,1,0|2,0,0]=4 825 B9R1.35 Cc1cnc(s1)C(=O)O AB43204 [0,1,0,0,1,0|2,0,0]=4 826 B9R1.35 Cc1coc(n1)C(=O)O PB31618 [0,1,0,0,1,0|2,0,0]=4 827 B9R1.35 Cc1csc(n1)C(=O)C AB32246 [0,1,0,0,1,0|2,0,0]=4 828 B9R1.35 Cc1csc(n1)C(=O)O PB26270 [0,1,0,0,1,0|2,0,0]=4 829 B9R1.35 Cc1nc(co1)C(=O)O AB05124 [0,1,0,0,1,0|2,0,0]=4 830 B9R1.35 Cc1nc(cs1)C(=O)O AB14027 [0,1,0,0,1,0|2,0,0]=4 831 B9R1.35 Cc1ncc(s1)C(=O)O PB12949 [0,1,0,0,1,0|2,0,0]=4 832 B9R1.35 Cn1cc(cn1)C(=O)O PB27447 [0,1,0,0,1,0|2,0,0]=4 833 B9R1.35 Cn1cc(nc1)C(=O)O PB21172 [0,1,0,0,1,0|2,0,0]=4 834 B9R1.35 Cn1ccc(n1)C(=O)O PB29090 [0,1,0,0,1,0|2,0,0]=4 835 B9R1.35 c1([nH]c(nn1)Cl)C(=O)N MB19805 [0,1,0,0,1,0|2,0,0]=4 836 B9R1.35 c1c(coc1Br)C(=O)O AB45895 [0,1,0,0,1,0|2,0,0]=4 837 B9R1.35 c1c(coc1C(=O)N)Br AB65725 [0,1,0,0,1,0|1,0,0]=3 838 B9R1.35 c1c(coc1C(=O)O)Br AB03318 [0,1,0,0,1,0|2,0,0]=4 839 B9R1.35 c1c(csc1Br)C(=O)O PB20302 [0,1,0,0,1,0|2,0,0]=4 840 B9R1.35 c1c(csc1C(=O)N)Br AB53759 [0,1,0,0,1,0|1,0,0]=3 841 B9R1.35 c1c(csc1C(=O)O)Br PB29256 [0,1,0,0,1,0|2,0,0]=4 842 B9R1.35 c1c(csc1C(=O)O)Cl PB25964 [0,1,0,0,1,0|2,0,0]=4 843 B9R1.35 c1c(csc1Cl)C(=O)N AB09992 [0,1,0,0,1,0|1,0,0]=3 844 B9R1.35 c1c(csc1Cl)C(=O)O PB17106 [0,1,0,0,1,0|2,0,0]=4 845 B9R1.35 c1c(csc1F)C(=O)O PB18609 [0,1,0,0,1,0|2,0,0]=4 846 B9R1.35 c1c(nc(o1)Br)C(=O)O PB14959 [0,1,0,0,1,0|2,0,0]=4 847 B9R1.35 c1c(nc(o1)C(=O)O)Br AB59761 [0,1,0,0,1,0|2,0,0]=4 848 B9R1.35 c1c(nc(o1)Cl)C(=O)O PB20528 [0,1,0,0,1,0|2,0,0]=4 849 B9R1.35 c1c(nc(o1)N)C(=O)O PB31410 [0,1,0,0,1,0|2,0,0]=4 850 B9R1.35 c1c(nc(s1)Br)C(=O)N MB10372 [0,1,0,0,1,0|1,0,0]=3 851 B9R1.35 c1c(nc(s1)Br)C(=O)O AB20482 [0,1,0,0,1,0|2,0,0]=4 852 B9R1.35 c1c(nc(s1)C(=O)N)Br AB65719 [0,1,0,0,1,0|1,0,0]=3 853 B9R1.35 c1c(nc(s1)C(=O)O)Br PB32743 [0,1,0,0,1,0|2,0,0]=4 854 B9R1.35 c1c(nc(s1)Cl)C(=O)O CB11341 [0,1,0,0,1,0|2,0,0]=4 855 B9R1.35 c1c(nc(s1)N)C(=O)O AB07466 [0,1,0,0,1,0|2,0,0]=4 856 B9R1.35 c1c(onc1Br)C(=O)O AB32047 [0,1,0,0,1,0|2,0,0]=4 857 B9R1.35 c1c(sc(n1)Br)C(=O)N MB08396 [0,1,0,0,1,0|1,0,0]=3 858 B9R1.35 c1c(sc(n1)Br)C(=O)O PB12322 [0,1,0,0,1,0|2,0,0]=4 859 B9R1.35 c1c(sc(n1)C(=O)N)Br MB14267 [0,1,0,0,1,0|1,0,0]=3 860 B9R1.35 c1c(sc(n1)C(=O)O)Br PB31583 [0,1,0,0,1,0|2,0,0]=4 861 B9R1.35 c1c(sc(n1)C(=O)O)Cl PB26550 [0,1,0,0,1,0|2,0,0]=4 862 B9R1.35 c1c(sc(n1)C(=O)O)N PB33442 [0,1,0,0,1,0|2,0,0]=4 863 B9R1.35 c1c(sc(n1)C(=O)O)N PB37974 [0,1,0,0,1,0|2,0,0]=4 864 B9R1.35 c1c(sc(n1)N)C(=O)O AB23200 [0,1,0,0,1,0|2,0,0]=4 865 B9R1.35 c1cc(sc1C(=O)Cl)Cl AB01959 [0,1,0,0,1,0|2,0,0]=4 866 B9R1.35 c1cc(sc1C(=O)O)Br PB21666 [0,1,0,0,1,0|2,0,0]=4 867 B9R1.35 c1cc(sc1C(=O)O)Cl PB12047 [0,1,0,0,1,0|2,0,0]=4 868 B9R1.35 c1cc(sc1C(=O)O)F PB22097 [0,1,0,0,1,0|2,0,0]=4 869 B9R1.35 c1cc(sc1C(=O)O)N MB07244 [0,1,0,0,1,0|2,0,0]=4 870 B9R1.41 C1=NN=C(C1C(=O)N)N PB13014 [0,1,0,0,1,0|1,0,1]=4 871 B9R1.41 C1=NN=C(C1N)C(=O)N AB11926 [0,1,0,0,1,0|1,0,1]=4 872 B9R1.41 C1C=C(C(=N1)C(=O)O)N AB14781 [0,1,0,0,1,0|1,0,1]=4 873 B9R1.41 CC(=O)C1=NC=CC1N AB66021 [0,1,0,0,1,0|1,0,1]=4 874 B9R1.41 CC(=O)c1c(ccs1)Br AB07140 [0,1,0,0,1,0|2,0,0]=4 875 B9R1.41 CC(=O)c1c(ccs1)N AB02201 [0,1,0,0,1,0|2,0,0]=4 876 B9R1.41 CC(=O)c1ccsc1Cl AB72529 [0,1,0,0,1,0|2,0,0]=4 877 B9R1.41 CC(=O)c1ccsc1N AB71423 [0,1,0,0,1,0|2,0,0]=4 878 B9R1.41 CC(=O)c1nccn1C PB12530 [0,1,0,0,1,0|2,0,0]=4 879 B9R1.41 CC1=C(C=NC1)C(=O)C AB03448 [0,1,0,0,1,0|1,0,1]=4 880 B9R1.41 Cc1c(ccs1)C(=O)O AB10003 [0,1,0,0,1,0|2,0,0]=4 881 B9R1.41 Cc1c(ncs1)C(=O)O AB27941 [0,1,0,0,1,0|2,0,0]=4 882 B9R1.41 Cc1c(ocn1)C(=O)O MB01897 [0,1,0,0,1,0|2,0,0]=4 883 B9R1.41 Cc1c(scn1)C(=O)Cl CB11506 [0,1,0,0,1,0|2,0,0]=4 884 B9R1.41 Cc1ccoc1C(=O)O AB01137 [0,1,0,0,1,0|2,0,0]=4 885 B9R1.41 Cc1ccsc1C(=O)O AB00421 [0,1,0,0,1,0|2,0,0]=4 886 B9R1.41 Cn1c(ccn1)C(=O)O PB26026 [0,1,0,0,1,0|2,0,0]=4 887 B9R1.41 Cn1cccc1C(=O)O CB10008 [0,1,0,0,1,0|1,0,1]=4 888 B9R1.41 Cn1ccnc1C(=N)N PB34492 [0,1,0,0,1,0|2,0,0]=4 889 B9R1.41 Cn1ccnc1C(=O)O PB21787 [0,1,0,0,1,0|2,0,0]=4 890 B9R1.41 Cn1ccnc1C(=S)N AB21755 [0,1,0,0,1,0|1,1,0]=4 891 B9R1.41 Cn1cncc1C(=O)O PB24704 [0,1,0,0,1,0|2,0,0]=4 892 B9R1.41 c1[nH]c(c(n1)C(=O)O)N AB54857 [0,1,0,0,1,0|2,0,0]=4 893 B9R1.41 c1c(c(cs1)Br)C(=O)O PB14213 [0,1,0,0,1,0|2,0,0]=4 894 B9R1.41 c1cc(n(c1)N)C(=O)N PB26616 [0,1,0,0,1,0|0,0,1]=3 895 B9R1.41 c1coc(c1Br)C(=O)O AB03324 [0,1,0,0,1,0|2,0,0]=4 896 B9R1.41 c1coc(c1I)C(=O)O AB85068 [0,1,0,0,1,0|2,0,0]=4 897 B9R1.41 c1csc(c1Br)C(=O)O PB25929 [0,1,0,0,1,0|2,0,0]=4 898 B9R1.41 c1csc(c1Cl)C(=O)O PB10064 [0,1,0,0,1,0|2,0,0]=4 899 B9R1.41 c1csc(c1N)C(=O)N AB02202 [0,1,0,0,1,0|1,0,0]=3 900 B9R1.41 c1csc(c1N)C(=O)O AB14784 [0,1,0,0,1,0|2,0,0]=4 901 B11R1.20 CC(=O)Nc1ccc(nc1)Br AB30811 [0,1,0,0,0,1|1,0,0]=3 902 B11R1.20 CC(=O)Nc1cnc(cn1)Br MB14371 [0,1,0,0,0,1|2,0,0]=4 903 B11R1.20 CC(=O)Nc1cnc(nc1)Br MB14362 [0,1,0,0,0,1|2,0,0]=4 904 B11R1.20 CC(=O)Oc1ccc(cc1)Cl AB06566 [0,1,0,0,0,1|2,0,0]=4 905 B11R1.20 CC(=O)Oc1cnc(cn1)Br MB14264 [0,1,0,0,0,1|2,0,0]=4 906 B11R1.20 Cc1ccc(cc1)CC(=N)N AB29086 [0,1,0,0,0,1|2,0,0]=4 907 B11R1.20 Cc1ccc(cn1)CC(=O)O AB04515 [0,1,0,0,0,1|1,0,0]=3 908 B11R1.20 Cc1cnc(cn1)CC(=O)O AB69910 [0,1,0,0,0,1|2,0,0]=4 909 B11R1.20 c1c(ncc(n1)Cl)CC(=O)O AB69911 [0,1,0,0,0,1|2,0,0]=4 910 B11R1.20 c1cc(ccc1CC(=N)N)Br AB48908 [0,1,0,0,0,1|2,0,0]=4 911 B11R1.20 c1cc(ccc1CC(=N)N)Cl AB29080 [0,1,0,0,0,1|2,0,0]=4 912 B11R1.20 c1cc(ccc1CC(=N)N)F AB29082 [0,1,0,0,0,1|2,0,0]=4 913 B11R1.20 c1cc(ccc1CC(=O)O)Br AB00367 [0,1,0,0,0,1|2,0,0]=4 914 B11R1.20 c1cc(ccc1N=C(N)N)Cl AB04678 [0,1,0,0,0,1|2,0,0]=4 915 B11R1.20 c1cc(ncc1CC(=O)O)Br AB71018 [0,1,0,0,0,1|1,0,0]=3 916 B11R1.20 c1cc(ncc1CC(=O)O)Cl AB10318 [0,1,0,0,0,1|1,0,0]=3 917 B11R1.20 c1cc(ncc1CC(=O)O)F AB55206 [0,1,0,0,0,1|1,0,0]=3 918 B11R1.36 c1cc(cnc1)C(C(=O)O)N AB06681 [0,1,0,0,0,1|1,0,0]=3 919 B11R1.36 c1cc(cnc1)C(C(=O)O)N AB12427 [0,1,0,0,0,1|1,0,0]=3 920 B11R1.36 c1cc(cnc1)[C@@H](C(=O)O)N AB30490 [0,1,0,0,0,1|1,0,0]=3 921 B11R1.36 c1cc(cnc1)[C@H](C(=O)O)N AB33298 [0,1,0,0,0,1|1,0,0]=3 922 B11R1.36 c1ccc(cc1)[C@@H](C(=O)O)N AB02597 [0,1,0,0,0,1|2,0,0]=4 923 B11R1.36 c1ccc(cc1)[C@H](C(=O)O)N AB00920 [0,1,0,0,0,1|2,0,0]=4 924 B11R1.36 c1cnc(cn1)C(C(=O)O)N AB21620 [0,1,0,0,0,1|2,0,0]=4 925 B11R1.40 CC(CN)Oc1cccnc1 AB16397 [0,1,0,0,0,1|1,0,1]=4 926 B11R1.40 COC(=O)Cc1cccnc1 PB30559 [0,1,0,0,0,1|1,0,0]=3 927 B11R1.40 COC(=O)Cc1cccnn1 PB10290 [0,1,0,0,0,1|2,0,0]=4 928 B11R1.40 COC(=O)Cc1ccnnc1 PB28638 [0,1,0,0,0,1|2,0,0]=4 929 B11R1.40 COC(=O)Cc1cnccn1 PB20098 [0,1,0,0,0,1|2,0,0]=4 930 B11R1.40 c1ccc(cc1)CC(=O)C=O AB50241 [0,1,0,0,0,1|2,0,0]=4 931 B11R1.86 CC(=O)Nc1ccccc1O AB00212 [0,1,0,0,0,1|2,0,0]=4 932 B11R1.86 CC(=O)Nc1cccnc1Br MB03384 [0,1,0,0,0,1|1,0,0]=3 933 B11R1.86 CC(=O)Nc1cnccc1N MB08841 [0,1,0,0,0,1|1,0,0]=3 934 B11R1.86 c1cc(c(nc1)Cl)CC(=O)O PB10699 [0,1,0,0,0,1|1,0,0]=3 935 B11R1.86 c1ccc(c(c1)CC(=N)N)Cl AB60879 [0,1,0,0,0,1|2,0,0]=4 936 B11R1.86 c1ccc(c(c1)CC(=O)Cl)F AB16515 [0,1,0,0,0,1|2,0,0]=4 937 B11R1.86 c1ccc(c(c1)CC(=O)N)N AB26281 [0,1,0,0,0,1|1,0,0]=3 938 B11R1.86 c1ccc(c(c1)CC(=O)O)N AB15776 [0,1,0,0,0,1|2,0,0]=4 939 B11R1.86 c1ccc(c(c1)NC(=O)N)Br CB10141 [0,1,0,0,0,1|1,0,0]=3 940 B11R1.86 c1cnc(c(n1)CC(=O)O)Cl PB36328 [0,1,0,0,0,1|2,0,0]=4 941 B11R1.157 CC(=O)Nc1cc(cnc1)Br MB13418 [0,1,0,0,0,1|1,0,0]=3 942 B11R1.157 CC(=O)Nc1cccc(c1)O AB00216 [0,1,0,0,0,1|2,0,0]=4 943 B11R1.157 CC(=O)Oc1cncc(n1)Br MB14303 [0,1,0,0,0,1|2,0,0]=4 944 B11R1.157 Cc1cccc(c1)CC(=N)N AB49995 [0,1,0,0,0,1|2,0,0]=4 945 B11R1.157 Cc1cccc(c1)NC(=O)C AB01179 [0,1,0,0,0,1|2,0,0]=4 946 B11R1.157 c1c(cncc1Br)CC(=O)O AB07359 [0,1,0,0,0,1|1,0,0]=3 947 B11R1.157 c1c(cncc1F)CC(=O)O PB22356 [0,1,0,0,0,1|1,0,0]=3 948 B11R1.157 c1cc(cc(c1)Br)CC(=N)N AB60873 [0,1,0,0,0,1|2,0,0]=4 949 B11R1.157 c1cc(cc(c1)Br)CC(=O)N AB42612 [0,1,0,0,0,1|1,0,0]=3 950 B11R1.157 c1cc(cc(c1)Br)CC(=O)O AB00359 [0,1,0,0,0,1|2,0,0]=4 951 B11R1.157 c1cc(cc(c1)Cl)CC(=O)O AB00363 [0,1,0,0,0,1|2,0,0]=4 952 B11R1.157 c1cc(cc(c1)Cl)NC(=N)N AB43838 [0,1,0,0,0,1|2,0,0]=4 953 B11R1.157 c1cc(cc(c1)F)CC(=N)N AB49997 [0,1,0,0,0,1|2,0,0]=4 954 B11R1.157 c1cc(cc(c1)F)CC(=O)O AB00361 [0,1,0,0,0,1|2,0,0]=4 955 B11R1.509 CC(C)(Cc1cccnc1)N AB77415 [0,1,0,0,0,1|1,0,1]=4 956 B11R1.509 c1cc(cnc1)CS(=O)(=O)Cl AB21751 [0,1,0,0,0,1|2,0,0]=4 957 B11R1.3 B(=O)c1ccc(cc1)C(=O)Cl AB30049 [0,2,0,0,0,0|2,0,0]=4 958 B11R1.3 C#Cc1ccc(cn1)[N+](=O)[O-] AB68971 [0,2,0,0,0,0|2,0,0]=4 959 B11R1.3 CC(=O)c1ccc(cc1)C#C AB21444 [0,2,0,0,0,0|2,0,0]=4 960 B11R1.3 CC(=O)c1ccc(nc1)C#N AB25372 [0,2,0,0,0,0|1,0,0]=3 961 B11R1.3 CC(=O)c1ccc(nc1)OC AB22367 [0,2,0,0,0,0|1,0,0]=3 962 B11R1.3 CC(=O)c1ccc(nn1)OC AB70140 [0,2,0,0,0,0|2,0,0]=4 963 B11R1.3 CC(=O)c1cnc(cn1)OC AB69890 [0,2,0,0,0,0|2,0,0]=4 964 B11R1.3 CC(c1ccc(nc1)OC)N AB67099 [0,2,0,0,0,0|1,0,1]=4 965 B11R1.3 CCc1ccc(cc1)C(=S)N AB23762 [0,2,0,0,0,0|1,1,0]=4 966 B11R1.3 CCc1ccc(cn1)[N+](=O)[O-] PB20052 [0,2,0,0,0,0|2,0,0]=4 967 B11R1.3 CNc1ccc(cn1)[N+](=O)[O-] AB04049 [0,2,0,0,0,0|2,0,0]=4 968 B11R1.3 CNc1ncc(cn1)C(=O)O AB43554 [0,2,0,0,0,0|2,0,0]=4 969 B11R1.3 COc1ccc(cc1)C(=N)N AB06258 [0,2,0,0,0,0|2,0,0]=4 970 B11R1.3 COc1ccc(cc1)C(=O)N AB00908 [0,2,0,0,0,0|1,0,0]=3 971 B11R1.3 COc1ccc(cc1)C(=S)N AB01847 [0,2,0,0,0,0|1,1,0]=4 972 B11R1.3 COc1ccc(cn1)C(=N)N MB05831 [0,2,0,0,0,0|1,0,0]=3 973 B11R1.3 COc1ccc(cn1)C(=O)O PB30805 [0,2,0,0,0,0|1,0,0]=3 974 B11R1.3 COc1ccc(cn1)[N+](=O)[O-] AB00668 [0,2,0,0,0,0|2,0,0]=4 975 B11R1.3 COc1ccc(nn1)C(=O)O AB52589 [0,2,0,0,0,0|2,0,0]=4 976 B11R1.3 COc1cnc(cn1)C(=O)O AB60459 [0,2,0,0,0,0|2,0,0]=4 977 B11R1.3 COc1ncc(cn1)C(=O)O AB43547 [0,2,0,0,0,0|2,0,0]=4 978 B11R1.3 CSc1ncc(cn1)C(=O)O PB17421 [0,2,0,0,0,0|2,0,0]=4 979 B11R1.3 c1c(cnc(n1)C#N)C(=O)O PB24031 [0,2,0,0,0,0|2,0,0]=4 980 B11R1.3 c1cc(ccc1C=O)C(=N)N AB11535 [0,2,0,0,0,0|2,0,0]=4 981 B11R1.3 c1cc(ncc1C(=O)O)C#N AB08639 [0,2,0,0,0,0|1,0,0]=3 982 B11R1.3 c1cc(ncc1C(=O)O)CN AB23462 [0,2,0,0,0,0|1,0,0]=3 983 B11R1.3 c1cc(ncc1C(=O)O)NN PB27614 [0,2,0,0,0,0|1,0,0]=3 984 B11R1.3 c1cc(ncc1[N+](=O)[O-])C#N PB15869 [0,2,0,0,0,0|2,0,0]=4 985 B11R1.3 c1cc(ncc1[N+](=O)[O-])C=O PB22016 [0,2,0,0,0,0|2,0,0]=4 986 B11R1.3 c1cc(ncc1[N+](=O)[O-])CN AB31865 [0,2,0,0,0,0|2,0,0]=4 987 B11R1.3 c1cc(ncc1[N+](=O)[O-])CO AB31864 [0,2,0,0,0,0|2,0,0]=4 988 B11R1.19 CC(C)(c1ccc(nc1)Cl)N AB67365 [0,2,0,0,0,0|1,0,1]=4 989 B11R1.19 CS(=O)(=O)c1ccc(nc1)Br MB03435 [0,2,0,0,0,0|2,0,0]=4 990 B11R1.19 Cc1ccc(cn1)C(C)(C)N AB66958 [0,2,0,0,0,0|1,0,1]=4 991 B11R1.19 Cc1ccc(cn1)S(=O)(=O)Cl AB64923 [0,2,0,0,0,0|2,0,0]=4 992 B11R1.19 c1cc(ccc1S(=O)(=O)N)Br AB02163 [0,2,0,0,0,0|2,0,0]=4 993 B11R1.19 c1cc(ncc1S(=O)(=O)Cl)Br AB39249 [0,2,0,0,0,0|2,0,0]=4 994 B11R1.19 c1cc(ncc1S(=O)(=O)Cl)Cl PB32344 [0,2,0,0,0,0|2,0,0]=4 995 B11R1.19 c1cc(ncc1S(=O)(=O)O)Br MB03760 [0,2,0,0,0,0|2,0,0]=4 996 B11R1.21 CC(=O)c1cc(c(nc1)Cl)Cl AB60291 [0,2,0,0,0,0|1,0,0]=3 997 B11R1.21 CC(=O)c1cc(c(nc1)Cl)F AB74574 [0,2,0,0,0,0|1,0,0]=3 998 B11R1.21 CC(=O)c1cc(c(nc1)Cl)N AB83970 [0,2,0,0,0,0|1,0,0]=3 999 B11R1.21 CC(=O)c1cc(c(nc1)Cl)O AB74793 [0,2,0,0,0,0|1,0,0]=3 1000 B11R1.21 CC(=O)c1cc(c(nc1)F)Cl AB75049 [0,2,0,0,0,0|1,0,0]=3 1001 B11R1.21 CC(=O)c1cc(c(nc1)N)Cl AB74572 [0,2,0,0,0,0|1,0,0]=3 1002 B11R1.21 CC(=O)c1cc(c(nc1)N)N AB60288 [0,2,0,0,0,0|1,0,0]=3 1003 B11R1.21 CC(=O)c1cc(c(nc1)O)Cl AB84068 [0,2,0,0,0,0|1,0,0]=3 1004 B11R1.21 Cc1c(cc(cn1)C(=O)C)Cl AB74646 [0,2,0,0,0,0|1,0,0]=3 1005 B11R1.21 Cc1c(cc(cn1)C(=O)C)F AB83026 [0,2,0,0,0,0|1,0,0]=3 1006 B11R1.21 Cc1c(cc(cn1)C(=O)O)Br AB74944 [0,2,0,0,0,0|1,0,0]=3 1007 B11R1.21 Cc1c(cc(cn1)C(=O)O)Cl AB74644 [0,2,0,0,0,0|1,0,0]=3 1008 B11R1.21 Cc1c(cc(cn1)C(=O)O)F AB71562 [0,2,0,0,0,0|1,0,0]=3 1009 B11R1.21 Cc1c(cc(cn1)C(=O)O)N PB30351 [0,2,0,0,0,0|1,0,0]=3 1010 B11R1.21 Cc1c(cc(cn1)C(=O)O)O AB74651 [0,2,0,0,0,0|1,0,0]=3 1011 B11R1.21 Cc1c(cc(cn1)[N+](=O)[O-])Br PB27936 [0,2,0,0,0,0|2,0,0]=4 1012 B11R1.21 Cc1c(cc(cn1)[N+](=O)[O-])N PB23566 [0,2,0,0,0,0|2,0,0]=4 1013 B11R1.21 Cc1c(cc(cn1)[N+](=O)[O-])O PB21259 [0,2,0,0,0,0|2,0,0]=4 1014 B11R1.21 Cc1c(nc(cn1)C(=O)C)C AB21776 [0,2,0,0,0,0|2,0,0]=4 1015 B11R1.21 Cc1c(nc(cn1)C(=O)O)C AB13799 [0,2,0,0,0,0|2,0,0]=4 1016 B11R1.21 Cc1c(ncc(n1)C(=O)O)Cl AB71835 [0,2,0,0,0,0|2,0,0]=4 1017 B11R1.21 Cc1c(ncc(n1)C(=O)O)F AB85697 [0,2,0,0,0,0|2,0,0]=4 1018 B11R1.21 Cc1cc(ccc1O)C(=O)N MB23357 [0,2,0,0,0,0|1,0,0]=3 1019 B11R1.21 Cc1cc(cnc1Br)C(=O)O AB62965 [0,2,0,0,0,0|1,0,0]=3 1020 B11R1.21 Cc1cc(cnc1C)C(=O)C AB75410 [0,2,0,0,0,0|1,0,0]=3 1021 B11R1.21 Cc1cc(cnc1C)C(=O)O AB66691 [0,2,0,0,0,0|1,0,0]=3 1022 B11R1.21 Cc1cc(cnc1C)[N+](=O)[O-] AB70689 [0,2,0,0,0,0|2,0,0]=4 1023 B11R1.21 Cc1cc(cnc1Cl)C(=O)C AB75129 [0,2,0,0,0,0|1,0,0]=3 1024 B11R1.21 Cc1cc(cnc1Cl)C(=O)O AB71754 [0,2,0,0,0,0|1,0,0]=3 1025 B11R1.21 Cc1cc(cnc1Cl)[N+](=O)[O-] PB25986 [0,2,0,0,0,0|2,0,0]=4 1026 B11R1.21 Cc1cc(cnc1F)C(=O)C AB75174 [0,2,0,0,0,0|1,0,0]=3 1027 B11R1.21 Cc1cc(cnc1F)C(=O)O AB42633 [0,2,0,0,0,0|1,0,0]=3 1028 B11R1.21 Cc1cc(cnc1F)[N+](=O)[O-] AB13450 [0,2,0,0,0,0|2,0,0]=4 1029 B11R1.21 Cc1cc(cnc1N)[N+](=O)[O-] AB13441 [0,2,0,0,0,0|2,0,0]=4 1030 B11R1.21 Cc1cc(cnc1O)[N+](=O)[O-] AB13453 [0,2,0,0,0,0|2,0,0]=4 1031 B11R1.21 Cc1ccc(cc1C)C(=N)N AB21798 [0,2,0,0,0,0|2,0,0]=4 1032 B11R1.21 Cc1ccc(cc1C)C(=S)N AB26899 [0,2,0,0,0,0|1,1,0]=4 1033 B11R1.21 Cc1ccc(cc1O)C(=O)N AB63532 [0,2,0,0,0,0|1,0,0]=3 1034 B11R1.21 Cn1cc(ccc1=O)C(=O)O PB21634 [0,2,0,0,0,0|1,0,1]=4 1035 B11R1.21 c1c(cnc(c1Br)Cl)C(=O)O AB10529 [0,2,0,0,0,0|1,0,0]=3 1036 B11R1.21 c1c(cnc(c1Br)Cl)[N+](=O)[O-] AB05060 [0,2,0,0,0,0|2,0,0]=4 1037 B11R1.21 c1c(cnc(c1Br)N)[N+](=O)[O-] AB07738 [0,2,0,0,0,0|2,0,0]=4 1038 B11R1.21 c1c(cnc(c1Br)O)[N+](=O)[O-] CB10758 [0,2,0,0,0,0|2,0,0]=4 1039 B11R1.21 c1c(cnc(c1Cl)Cl)C(=O)O PB29008 [0,2,0,0,0,0|1,0,0]=3 1040 B11R1.21 c1c(cnc(c1Cl)F)C(=O)O AB15015 [0,2,0,0,0,0|1,0,0]=3 1041 B11R1.21 c1c(cnc(c1Cl)N)C(=O)O AB63730 [0,2,0,0,0,0|1,0,0]=3 1042 B11R1.21 c1c(cnc(c1Cl)O)C(=O)O AB02225 [0,2,0,0,0,0|1,0,0]=3 1043 B11R1.21 c1c(cnc(c1F)Br)C(=O)O AB62700 [0,2,0,0,0,0|1,0,0]=3 1044 B11R1.21 c1c(cnc(c1F)Cl)C(=O)O AB64027 [0,2,0,0,0,0|1,0,0]=3 1045 B11R1.21 c1c(cnc(c1F)F)C(=O)O PB14646 [0,2,0,0,0,0|1,0,0]=3 1046 B11R1.21 c1c(cnc(c1F)O)[N+](=O)[O-] AB62596 [0,2,0,0,0,0|2,0,0]=4 1047 B11R1.21 c1c(cnc(c1I)N)[N+](=O)[O-] MB04488 [0,2,0,0,0,0|2,0,0]=4 1048 B11R1.21 c1c(cnc(c1N)Cl)C(=O)O AB75265 [0,2,0,0,0,0|1,0,0]=3 1049 B11R1.21 c1c(cnc(c1N)N)C(=O)O AB60261 [0,2,0,0,0,0|1,0,0]=3 1050 B11R1.21 c1c(cnc(c1N)N)[N+](=O)[O-] AB60270 [0,2,0,0,0,0|2,0,0]=4 1051 B11R1.21 c1c(cnc(c1N)O)[N+](=O)[O-] AB53297 [0,2,0,0,0,0|2,0,0]=4 1052 B11R1.21 c1c(cnc(c1O)Cl)C(=O)O AB72035 [0,2,0,0,0,0|1,0,0]=3 1053 B11R1.21 c1c(nc(c(n1)N)Br)C(=O)O PB26120 [0,2,0,0,0,0|2,0,0]=4 1054 B11R1.21 c1c(nc(c(n1)N)I)C(=O)O PB37460 [0,2,0,0,0,0|2,0,0]=4 1055 B11R1.21 c1cc(c(cc1C(=N)N)Br)F AB18332 [0,2,0,0,0,0|2,0,0]=4 1056 B11R1.21 c1cc(c(cc1C(=N)N)Cl)F AB06667 [0,2,0,0,0,0|2,0,0]=4 1057 B11R1.21 c1cc(c(cc1C(=N)N)F)Br AB39276 [0,2,0,0,0,0|2,0,0]=4 1058 B11R1.21 c1cc(c(cc1C(=N)N)F)F AB18316 [0,2,0,0,0,0|2,0,0]=4 1059 B11R1.21 c1cc(c(cc1C(=O)N)Br)O MB31615 [0,2,0,0,0,0|1,0,0]=3 1060 B11R1.21 c1cc(c(cc1C(=O)N)Cl)O MB09407 [0,2,0,0,0,0|1,0,0]=3 1061 B11R1.21 c1cc(c(cc1C(=O)N)F)O MB30803 [0,2,0,0,0,0|1,0,0]=3 1062 B11R1.21 c1cc(c(cc1C(=O)N)I)O MB25459 [0,2,0,0,0,0|1,0,0]=3 1063 B11R1.21 c1cc(c(cc1C(=O)N)N)F AB51096 [0,2,0,0,0,0|1,0,0]=3 1064 B11R1.21 c1cc(c(cc1C(=O)N)N)O MB11674 [0,2,0,0,0,0|1,0,0]=3 1065 B11R1.21 c1cc(c(cc1C(=O)N)O)Br MB25480 [0,2,0,0,0,0|1,0,0]=3 1066 B11R1.21 c1cc(c(cc1C(=O)N)O)Cl MB27786 [0,2,0,0,0,0|1,0,0]=3 1067 B11R1.21 c1cc(c(cc1C(=O)N)O)F MB26081 [0,2,0,0,0,0|1,0,0]=3 1068 B11R1.21 c1cc(c(cc1C(=O)N)O)I MB09166 [0,2,0,0,0,0|1,0,0]=3 1069 B11R1.21 c1cc(c(cc1C(=O)N)O)N MB25500 [0,2,0,0,0,0|1,0,0]=3 1070 B11R1.21 c1cc(c(cc1C(=O)O)Br)F AB01920 [0,2,0,0,0,0|2,0,0]=4 1071 B11R1.21 c1cc(c(cc1C(=O)O)F)Br AB06858 [0,2,0,0,0,0|2,0,0]=4 1072 B11R1.21 c1cc(c(cc1C(=O)O)F)O AB03853 [0,2,0,0,0,0|2,0,0]=4 1073 B11R1.21 c1cc(c(cc1C(=O)O)N)F AB25439 [0,2,0,0,0,0|2,0,0]=4 1074 B11R1.21 c1cc(c(cc1C(=O)O)O)Cl AB04116 [0,2,0,0,0,0|2,0,0]=4 1075 B11R1.21 c1cc(c(cc1C(=O)O)O)F AB05533 [0,2,0,0,0,0|2,0,0]=4 1076 B11R1.21 c1cc(c(cc1C(=O)O)O)I AB10648 [0,2,0,0,0,0|2,0,0]=4 1077 B11R1.22 CNC(=O)c1ccc(cc1)O MB02709 [0,2,0,0,0,0|1,0,0]=3 1078 B11R1.22 CNC(=O)c1ccc(cn1)O MB11446 [0,2,0,0,0,0|2,0,0]=4 1079 B11R1.22 CNC(=O)c1ccc(nc1)Br MB07978 [0,2,0,0,0,0|0,0,0]=2 1080 B11R1.22 CNC(=O)c1ccc(nn1)Cl MB11670 [0,2,0,0,0,0|1,0,0]=3 1081 B11R1.22 CNC(=O)c1cnc(cn1)Br MB14257 [0,2,0,0,0,0|1,0,0]=3 1082 B11R1.22 COC(=O)c1ccc(nc1)Br PB29326 [0,2,0,0,0,0|1,0,0]=3 1083 B11R1.22 COC(=O)c1ccc(nc1)N PB19892 [0,2,0,0,0,0|1,0,0]=3 1084 B11R1.22 COC(=O)c1ccc(nc1)O PB34296 [0,2,0,0,0,0|1,0,0]=3 1085 B11R1.22 COC(=O)c1ccc(nn1)Br MB13587 [0,2,0,0,0,0|2,0,0]=4 1086 B11R1.22 COC(=O)c1ccc(nn1)Cl PB18925 [0,2,0,0,0,0|2,0,0]=4 1087 B11R1.22 COC(=O)c1ccc(nn1)N PB33362 [0,2,0,0,0,0|2,0,0]=4 1088 B11R1.22 COC(=O)c1ccc(nn1)O PB13716 [0,2,0,0,0,0|2,0,0]=4 1089 B11R1.22 COC(=O)c1cnc(cn1)Br MB08354 [0,2,0,0,0,0|2,0,0]=4 1090 B11R1.22 COC(=O)c1cnc(cn1)Cl PB33958 [0,2,0,0,0,0|2,0,0]=4 1091 B11R1.22 COC(=O)c1cnc(cn1)N PB12687 [0,2,0,0,0,0|2,0,0]=4 1092 B11R1.22 COC(=O)c1cnc(cn1)O PB32586 [0,2,0,0,0,0|2,0,0]=4 1093 B11R1.22 COC(=O)c1cnc(nc1)Br MB14326 [0,2,0,0,0,0|2,0,0]=4 1094 B11R1.22 COC(=O)c1cnc(nc1)Cl PB17570 [0,2,0,0,0,0|2,0,0]=4 1095 B11R1.22 COC(=O)c1cnc(nc1)N PB27896 [0,2,0,0,0,0|2,0,0]=4 1096 B11R1.22 Cc1ccc(cc1)C(=O)C=O AB05249 [0,2,0,0,0,0|2,0,0]=4 1097 B11R1.22 Cc1ccc(cc1)C(=O)C=O AB05288 [0,2,0,0,0,0|2,0,0]=4 1098 B11R1.22 Cc1ncc(cn1)C(=O)OC PB10888 [0,2,0,0,0,0|2,0,0]=4 1099 B11R1.22 c1cc(ccc1C(=O)C#N)Br MB00883 [0,2,0,0,0,0|1,0,1]=4 1100 B11R1.22 c1cc(ccc1C(=O)C=O)Br AB07939 [0,2,0,0,0,0|2,0,0]=4 1101 B11R1.22 c1cc(ccc1C(=O)C=O)Br AB49987 [0,2,0,0,0,0|2,0,0]=4 1102 B11R1.22 c1cc(ccc1C(=O)C=O)Cl AB44429 [0,2,0,0,0,0|2,0,0]=4 1103 B11R1.22 c1cc(ccc1C(=O)C=O)F AB09010 [0,2,0,0,0,0|2,0,0]=4 1104 B11R1.22 c1cc(ccc1C(=O)C=O)O AB02263 [0,2,0,0,0,0|2,0,0]=4 1105 B11R1.22 c1cc(ccc1C(=O)CN)Br CB10172 [0,2,0,0,0,0|1,0,0]=3 1106 B11R1.22 c1cc(ccc1C(=O)CO)F MB02453 [0,2,0,0,0,0|2,0,0]=4 1107 B11R1.22 c1cc(ncc1C(=O)CBr)Cl AB13128 [0,2,0,0,0,0|1,0,0]=3 1108 B11R1.166 CC(=O)c1ccc(cc1F)Br MB02747 [0,2,0,0,0,0|2,0,0]=4 1109 B11R1.166 CC(=O)c1ccc(cc1F)N MB05492 [0,2,0,0,0,0|2,0,0]=4 1110 B11R1.166 CC(=O)c1ccc(cc1O)Br AB15427 [0,2,0,0,0,0|2,0,0]=4 1111 B11R1.166 CC(=O)c1ccc(nc1Cl)Cl AB64664 [0,2,0,0,0,0|1,0,0]=3 1112 B11R1.166 CC(=O)c1ccc(nc1F)Br AB72629 [0,2,0,0,0,0|1,0,0]=3 1113 B11R1.166 CC(=O)c1ccc(nc1F)Cl AB72627 [0,2,0,0,0,0|1,0,0]=3 1114 B11R1.166 CC(=O)c1ccc(nc1N)Br AB83837 [0,2,0,0,0,0|1,0,0]=3 1115 B11R1.166 CC(=O)c1ccc(nc1N)Cl AB75425 [0,2,0,0,0,0|1,0,0]=3 1116 B11R1.166 CC(=O)c1ccc(nc1N)N AB83840 [0,2,0,0,0,0|1,0,0]=3 1117 B11R1.166 CC(=O)c1ccc(nc1O)Br AB84273 [0,2,0,0,0,0|1,0,0]=3 1118 B11R1.166 CC(=O)c1ccc(nc1O)Cl AB72633 [0,2,0,0,0,0|1,0,0]=3 1119 B11R1.166 CC(=O)c1ccc(nc1O)N AB84276 [0,2,0,0,0,0|1,0,0]=3 1120 B11R1.166 CC(=O)c1cnc(cc1Cl)Cl AB13863 [0,2,0,0,0,0|1,0,0]=3 1121 B11R1.166 CC(=O)c1cnc(cc1Cl)F AB71566 [0,2,0,0,0,0|1,0,0]=3 1122 B11R1.166 CC(=O)c1cnc(cc1N)Br AB63704 [0,2,0,0,0,0|1,0,0]=3 1123 B11R1.166 CC(=O)c1cnc(cc1N)Cl AB83812 [0,2,0,0,0,0|1,0,0]=3 1124 B11R1.166 CC(=O)c1cnc(cc1O)Br AB72643 [0,2,0,0,0,0|1,0,0]=3 1125 B11R1.166 CC(=O)c1cnc(cc1O)Cl AB84198 [0,2,0,0,0,0|1,0,0]=3 1126 B11R1.166 CC(=O)c1cnc(cc1O)N AB84199 [0,2,0,0,0,0|1,0,0]=3 1127 B11R1.166 CC(=O)c1cnc(nc1Cl)Cl AB51506 [0,2,0,0,0,0|2,0,0]=4 1128 B11R1.166 CC(=O)c1cnc(nc1N)Cl AB76990 [0,2,0,0,0,0|2,0,0]=4 1129 B11R1.166 CC(=O)c1cnc(nc1O)Cl AB76992 [0,2,0,0,0,0|2,0,0]=4 1130 B11R1.166 Cc1c(ccc(n1)Br)C(=O)O AB66864 [0,2,0,0,0,0|1,0,0]=3 1131 B11R1.166 Cc1c(ccc(n1)Br)[N+](=O)[O-] PB33662 [0,2,0,0,0,0|2,0,0]=4 1132 B11R1.166 Cc1c(ccc(n1)Cl)C(=O)C AB11952 [0,2,0,0,0,0|1,0,0]=3 1133 B11R1.166 Cc1c(ccc(n1)Cl)C(=O)O AB53710 [0,2,0,0,0,0|1,0,0]=3 1134 B11R1.166 Cc1c(ccc(n1)F)C(=O)O AB21743 [0,2,0,0,0,0|1,0,0]=3 1135 B11R1.166 Cc1c(ccc(n1)N)C(=O)O AB49780 [0,2,0,0,0,0|1,0,0]=3 1136 B11R1.166 Cc1c(ccc(n1)N)[N+](=O)[O-] AB02246 [0,2,0,0,0,0|2,0,0]=4 1137 B11R1.166 Cc1c(ccc(n1)O)C(=O)O AB54497 [0,2,0,0,0,0|1,0,0]=3 1138 B11R1.166 Cc1c(ccc(n1)O)[N+](=O)[O-] AB03294 [0,2,0,0,0,0|2,0,0]=4 1139 B11R1.166 Cc1c(cnc(n1)C)C(=O)O AB41920 [0,2,0,0,0,0|2,0,0]=4 1140 B11R1.166 Cc1c(cnc(n1)Cl)C(=O)C AB76995 [0,2,0,0,0,0|2,0,0]=4 1141 B11R1.166 Cc1c(cnc(n1)Cl)C(=O)O AB53772 [0,2,0,0,0,0|2,0,0]=4 1142 B11R1.166 Cc1c(ncc(n1)Br)C(=O)O AB85708 [0,2,0,0,0,0|2,0,0]=4 1143 B11R1.166 Cc1c(ncc(n1)Cl)C(=O)C AB85683 [0,2,0,0,0,0|2,0,0]=4 1144 B11R1.166 Cc1c(ncc(n1)Cl)C(=O)O AB85679 [0,2,0,0,0,0|2,0,0]=4 1145 B11R1.166 Cc1cc(c(cn1)C(=O)C)Cl AB64940 [0,2,0,0,0,0|1,0,0]=3 1146 B11R1.166 Cc1cc(c(cn1)C(=O)C)F AB83044 [0,2,0,0,0,0|1,0,0]=3 1147 B11R1.166 Cc1cc(c(cn1)C(=O)C)N AB50225 [0,2,0,0,0,0|1,0,0]=3 1148 B11R1.166 Cc1cc(c(cn1)C(=O)C)O AB75251 [0,2,0,0,0,0|1,0,0]=3 1149 B11R1.166 Cc1cc(c(cn1)C(=O)O)Br AB66861 [0,2,0,0,0,0|1,0,0]=3 1150 B11R1.166 Cc1cc(c(cn1)C(=O)O)Cl PB14950 [0,2,0,0,0,0|1,0,0]=3 1151 B11R1.166 Cc1cc(c(cn1)C(=O)O)F AB66872 [0,2,0,0,0,0|1,0,0]=3 1152 B11R1.166 Cc1cc(c(cn1)C(=O)O)N PB15110 [0,2,0,0,0,0|1,0,0]=3 1153 B11R1.166 Cc1cc(c(cn1)C(=O)O)O AB17044 [0,2,0,0,0,0|1,0,0]=3 1154 B11R1.166 Cc1cc(c(cn1)[N+](=O)[O-])Cl AB72468 [0,2,0,0,0,0|2,0,0]=4 1155 B11R1.166 Cc1cc(ccc1C(=N)N)Br AB18383 [0,2,0,0,0,0|2,0,0]=4 1156 B11R1.166 Cc1cc(ccc1C(=O)N)O MB23401 [0,2,0,0,0,0|1,0,0]=3 1157 B11R1.166 Cc1cc(ncc1C(=O)C)C AB50221 [0,2,0,0,0,0|1,0,0]=3 1158 B11R1.166 Cc1cc(ncc1C(=O)C)Cl AB83349 [0,2,0,0,0,0|1,0,0]=3 1159 B11R1.166 Cc1cc(ncc1C(=O)C)F AB83065 [0,2,0,0,0,0|1,0,0]=3 1160 B11R1.166 Cc1cc(ncc1C(=O)O)Br AB67818 [0,2,0,0,0,0|1,0,0]=3 1161 B11R1.166 Cc1cc(ncc1C(=O)O)C AB05232 [0,2,0,0,0,0|1,0,0]=3 1162 B11R1.166 Cc1cc(ncc1C(=O)O)Cl AB65755 [0,2,0,0,0,0|1,0,0]=3 1163 B11R1.166 Cc1cc(ncc1C(=O)O)F AB49982 [0,2,0,0,0,0|1,0,0]=3 1164 B11R1.166 Cc1cc(ncc1C(=O)O)N AB53293 [0,2,0,0,0,0|1,0,0]=3 1165 B11R1.166 Cc1cc(ncc1C(=O)O)O AB65757 [0,2,0,0,0,0|1,0,0]=3 1166 B11R1.166 Cc1cc(ncc1[N+](=O)[O-])Br PB14313 [0,2,0,0,0,0|2,0,0]=4 1167 B11R1.166 Cc1cc(ncc1[N+](=O)[O-])Cl PB27375 [0,2,0,0,0,0|2,0,0]=4 1168 B11R1.166 Cc1cc(ncc1[N+](=O)[O-])N CB10077 [0,2,0,0,0,0|2,0,0]=4 1169 B11R1.166 Cc1ccc(c(c1)C)C(=N)N AB18393 [0,2,0,0,0,0|2,0,0]=4 1170 B11R1.166 Cc1ccc(c(c1)Cl)C(=N)N AB18279 [0,2,0,0,0,0|2,0,0]=4 1171 B11R1.166 Cc1ccc(c(c1)O)C(=O)N MB02488 [0,2,0,0,0,0|1,0,0]=3 1172 B11R1.166 Cc1ccc(c(n1)Br)C(=O)O AB68156 [0,2,0,0,0,0|1,0,0]=3 1173 B11R1.166 Cc1ccc(c(n1)Br)[N+](=O)[O-] AB13579 [0,2,0,0,0,0|2,0,0]=4 1174 B11R1.166 Cc1ccc(c(n1)C)C(=O)O AB27627 [0,2,0,0,0,0|1,0,0]=3 1175 B11R1.166 Cc1ccc(c(n1)Cl)C(=O)C AB64666 [0,2,0,0,0,0|1,0,0]=3 1176 B11R1.166 Cc1ccc(c(n1)Cl)C(=O)O PB24611 [0,2,0,0,0,0|1,0,0]=3 1177 B11R1.166 Cc1ccc(c(n1)N)C(=O)C AB83843 [0,2,0,0,0,0|1,0,0]=3 1178 B11R1.166 Cc1ccc(c(n1)N)C(=O)O PB33689 [0,2,0,0,0,0|1,0,0]=3 1179 B11R1.166 Cc1ccc(c(n1)N)[N+](=O)[O-] AB02051 [0,2,0,0,0,0|2,0,0]=4 1180 B11R1.166 Cc1ccc(c(n1)O)C(=O)C AB84278 [0,2,0,0,0,0|1,0,0]=3 1181 B11R1.166 Cc1ccc(c(n1)O)[N+](=O)[O-] AB12817 [0,2,0,0,0,0|2,0,0]=4 1182 B11R1.166 Cc1cnc(c(n1)C)C(=O)O AB71826 [0,2,0,0,0,0|2,0,0]=4 1183 B11R1.166 Cc1cnc(c(n1)O)C(=O)O AB48562 [0,2,0,0,0,0|2,0,0]=4 1184 B11R1.166 Cc1ncc(c(n1)Cl)C(=O)C AB76965 [0,2,0,0,0,0|2,0,0]=4 1185 B11R1.166 Cc1ncc(c(n1)Cl)C(=O)O AB56016 [0,2,0,0,0,0|2,0,0]=4 1186 B11R1.166 Cc1ncc(c(n1)N)C(=O)O AB04459 [0,2,0,0,0,0|2,0,0]=4 1187 B11R1.166 Cc1ncc(c(n1)O)C(=O)O AB48543 [0,2,0,0,0,0|2,0,0]=4 1188 B11R1.166 c1c(c(cnc1Br)C(=O)O)Cl AB67976 [0,2,0,0,0,0|1,0,0]=3 1189 B11R1.166 c1c(c(cnc1Br)C(=O)O)F AB68043 [0,2,0,0,0,0|1,0,0]=3 1190 B11R1.166 c1c(c(cnc1Br)C(=O)O)N AB67268 [0,2,0,0,0,0|1,0,0]=3 1191 B11R1.166 c1c(c(cnc1Br)C(=O)O)O AB72394 [0,2,0,0,0,0|1,0,0]=3 1192 B11R1.166 c1c(c(cnc1Br)[N+](=O)[O-])Cl AB71671 [0,2,0,0,0,0|2,0,0]=4 1193 B11R1.166 c1c(c(cnc1Br)[N+](=O)[O-])N PB12008 [0,2,0,0,0,0|2,0,0]=4 1194 B11R1.166 c1c(c(cnc1Cl)C(=O)O)Cl AB05151 [0,2,0,0,0,0|1,0,0]=3 1195 B11R1.166 c1c(c(cnc1Cl)C(=O)O)F AB68037 [0,2,0,0,0,0|1,0,0]=3 1196 B11R1.166 c1c(c(cnc1Cl)C(=O)O)N PB12156 [0,2,0,0,0,0|1,0,0]=3 1197 B11R1.166 c1c(c(cnc1Cl)C(=O)O)O AB69324 [0,2,0,0,0,0|1,0,0]=3 1198 B11R1.166 c1c(c(cnc1Cl)[N+](=O)[O-])Cl PB12455 [0,2,0,0,0,0|2,0,0]=4 1199 B11R1.166 c1c(c(cnc1Cl)[N+](=O)[O-])N PB18957 [0,2,0,0,0,0|2,0,0]=4 1200 B11R1.166 c1c(c(cnc1F)C(=O)O)Cl AB74908 [0,2,0,0,0,0|1,0,0]=3 1201 B11R1.166 c1c(c(cnc1F)C(=O)O)F AB49331 [0,2,0,0,0,0|1,0,0]=3 1202 B11R1.166 c1c(c(cnc1F)C(=O)O)N PB19556 [0,2,0,0,0,0|1,0,0]=3 1203 B11R1.166 c1c(c(cnc1N)C(=O)O)Cl AB67979 [0,2,0,0,0,0|1,0,0]=3 1204 B11R1.166 c1c(c(cnc1N)C(=O)O)N AB71881 [0,2,0,0,0,0|1,0,0]=3 1205 B11R1.166 c1c(c(cnc1N)[N+](=O)[O-])Br PB18120 [0,2,0,0,0,0|2,0,0]=4 1206 B11R1.166 c1c(c(cnc1N)[N+](=O)[O-])Cl PB12821 [0,2,0,0,0,0|2,0,0]=4 1207 B11R1.166 c1c(c(cnc1O)C(=O)O)Cl AB67983 [0,2,0,0,0,0|1,0,0]=3 1208 B11R1.166 c1c(c(cnc1O)[N+](=O)[O-])Cl AB54703 [0,2,0,0,0,0|2,0,0]=4 1209 B11R1.166 c1c(c(nc(n1)Cl)Cl)C(=O)Cl AB51120 [0,2,0,0,0,0|2,0,0]=4 1210 B11R1.166 c1c(c(nc(n1)Cl)Cl)C(=O)O AB55826 [0,2,0,0,0,0|2,0,0]=4 1211 B11R1.166 c1c(cnc(c1F)C(=O)N)Br AB65704 [0,2,0,0,0,0|2,0,0]=4 1212 B11R1.166 c1c(cnc(c1N)C(=O)N)Br PB28226 [0,2,0,0,0,0|2,0,0]=4 1213 B11R1.166 c1c(nc(c(n1)C(=O)N)Cl)Cl AB56020 [0,2,0,0,0,0|1,0,0]=3 1214 B11R1.166 c1c(nc(c(n1)C(=O)O)Cl)Cl PB29742 [0,2,0,0,0,0|2,0,0]=4 1215 B11R1.166 c1c(nc(c(n1)C(=O)O)N)Cl AB73168 [0,2,0,0,0,0|2,0,0]=4 1216 B11R1.166 c1cc(c(cc1Br)Br)C(=O)O AB05197 [0,2,0,0,0,0|2,0,0]=4 1217 B11R1.166 c1cc(c(cc1Br)F)C(=N)N AB18335 [0,2,0,0,0,0|2,0,0]=4 1218 B11R1.166 c1cc(c(cc1Br)F)C(=O)O AB03858 [0,2,0,0,0,0|2,0,0]=4 1219 B11R1.166 c1cc(c(cc1Br)N)C(=O)N AB65645 [0,2,0,0,0,0|1,0,0]=3 1220 B11R1.166 c1cc(c(cc1Br)N)C(=O)O MB02895 [0,2,0,0,0,0|2,0,0]=4 1221 B11R1.166 c1cc(c(cc1Br)O)C(=O)N MB04760 [0,2,0,0,0,0|1,0,0]=3 1222 B11R1.166 c1cc(c(cc1Cl)Cl)C(=N)N AB18390 [0,2,0,0,0,0|2,0,0]=4 1223 B11R1.166 c1cc(c(cc1Cl)F)C(=N)N AB18342 [0,2,0,0,0,0|2,0,0]=4 1224 B11R1.166 c1cc(c(cc1Cl)O)C(=O)N MB09408 [0,2,0,0,0,0|1,0,0]=3 1225 B11R1.166 c1cc(c(cc1F)Br)C(=O)O AB02279 [0,2,0,0,0,0|2,0,0]=4 1226 B11R1.166 c1cc(c(cc1F)Cl)C(=N)N AB18354 [0,2,0,0,0,0|2,0,0]=4 1227 B11R1.166 c1cc(c(cc1F)F)C(=N)N AB18346 [0,2,0,0,0,0|2,0,0]=4 1228 B11R1.166 c1cc(c(cc1F)F)C(=O)O AB01069 [0,2,0,0,0,0|2,0,0]=4 1229 B11R1.166 c1cc(c(cc1F)O)C(=O)N MB25529 [0,2,0,0,0,0|1,0,0]=3 1230 B11R1.166 c1cc(c(cc1I)O)C(=O)N MB37556 [0,2,0,0,0,0|1,0,0]=3 1231 B11R1.166 c1cc(c(cc1N)O)C(=O)N MB25620 [0,2,0,0,0,0|1,0,0]=3 1232 B11R1.166 c1cc(c(cc1O)Br)C(=O)O MB28859 [0,2,0,0,0,0|2,0,0]=4 1233 B11R1.166 c1cc(c(cc1O)Cl)C(=O)N MB04155 [0,2,0,0,0,0|1,0,0]=3 1234 B11R1.166 c1cc(c(cc1O)F)C(=O)N MB08417 [0,2,0,0,0,0|1,0,0]=3 1235 B11R1.166 c1cc(c(cc1O)I)C(=O)N MB32997 [0,2,0,0,0,0|1,0,0]=3 1236 B11R1.166 c1cc(c(cc1O)I)C(=O)O MB31618 [0,2,0,0,0,0|2,0,0]=4 1237 B11R1.166 c1cc(c(cc1O)N)C(=O)N MB00909 [0,2,0,0,0,0|1,0,0]=3 1238 B11R1.166 c1cc(c(cc1O)N)C(=O)O MB00542 [0,2,0,0,0,0|2,0,0]=4 1239 B11R1.166 c1cc(nc(c1C(=O)N)N)Cl AB65210 [0,2,0,0,0,0|0,0,0]=2 1240 B11R1.166 c1cc(nc(c1C(=O)O)Br)Br PB17862 [0,2,0,0,0,0|1,0,0]=3 1241 B11R1.166 c1cc(nc(c1C(=O)O)Br)Cl AB66786 [0,2,0,0,0,0|1,0,0]=3 1242 B11R1.166 c1cc(nc(c1C(=O)O)Cl)Br AB64863 [0,2,0,0,0,0|1,0,0]=3 1243 B11R1.166 c1cc(nc(c1C(=O)O)Cl)Cl PB10074 [0,2,0,0,0,0|1,0,0]=3 1244 B11R1.166 c1cc(nc(c1C(=O)O)Cl)N AB53397 [0,2,0,0,0,0|1,0,0]=3 1245 B11R1.166 c1cc(nc(c1C(=O)O)F)F AB43522 [0,2,0,0,0,0|1,0,0]=3 1246 B11R1.166 c1cc(nc(c1C(=O)O)F)N AB76881 [0,2,0,0,0,0|1,0,0]=3 1247 B11R1.166 c1cc(nc(c1C(=O)O)N)Br AB69713 [0,2,0,0,0,0|1,0,0]=3 1248 B11R1.166 c1cc(nc(c1C(=O)O)N)Cl PB26608 [0,2,0,0,0,0|1,0,0]=3 1249 B11R1.166 c1cc(nc(c1C(=O)O)N)N AB67450 [0,2,0,0,0,0|1,0,0]=3 1250 B11R1.166 c1cc(nc(c1[N+](=O)[O-])Br)Br PB30628 [0,2,0,0,0,0|2,0,0]=4 1251 B11R1.166 c1cc(nc(c1[N+](=O)[O-])Br)O AB53508 [0,2,0,0,0,0|2,0,0]=4 1252 B11R1.166 c1cc(nc(c1[N+](=O)[O-])Cl)Cl PB28956 [0,2,0,0,0,0|2,0,0]=4 1253 B11R1.166 c1cc(nc(c1[N+](=O)[O-])N)Br PB20206 [0,2,0,0,0,0|2,0,0]=4 1254 B11R1.166 c1cc(nc(c1[N+](=O)[O-])N)Cl PB17080 [0,2,0,0,0,0|2,0,0]=4 1255 B11R1.7 CC(C)(CN)c1cccnc1 AB65048 [0,2,0,0,0,0|1,0,1]=4 1256 B11R1.7 c1cc(cnc1)C(CN)(F)F AB63158 [0,2,0,0,0,0|1,0,1]=4 1257 B11R1.16 CCOC(=O)c1cccnc1 AB00748 [0,2,0,0,0,0|1,0,0]=3 1258 B11R1.16 CNCC(=O)c1ccccc1 AB16229 [0,2,0,0,0,0|1,0,0]=3 1259 B11R1.16 c1ccc(cc1)C(=O)OCCl AB01791 [0,2,0,0,0,0|2,0,0]=4 1260 B11R1.23 CNC(=O)c1cc(ccn1)Br MB13829 [0,2,0,0,0,0|2,0,0]=4 1261 B11R1.23 CNC(=O)c1cc(ccn1)Cl AB11548 [0,2,0,0,0,0|2,0,0]=4 1262 B11R1.23 CNC(=O)c1cc(ccn1)N AB65387 [0,2,0,0,0,0|2,0,0]=4 1263 B11R1.23 CNC(=O)c1cc(ccn1)O MB25398 [0,2,0,0,0,0|2,0,0]=4 1264 B11R1.23 CNC(=O)c1cc(cnc1)Br MB02044 [0,2,0,0,0,0|0,0,0]=2 1265 B11R1.23 CNC(=O)c1cc(cnc1)O MB25513 [0,2,0,0,0,0|0,0,0]=2 1266 B11R1.23 CNC(=O)c1cccc(c1)O MB06615 [0,2,0,0,0,0|1,0,0]=3 1267 B11R1.23 CNC(=O)c1cccc(n1)Br MB08958 [0,2,0,0,0,0|2,0,0]=4 1268 B11R1.23 CNC(=O)c1ccnc(c1)Br MB02752 [0,2,0,0,0,0|2,0,0]=4 1269 B11R1.23 CNC(=O)c1cncc(n1)Br MB14297 [0,2,0,0,0,0|1,0,0]=3 1270 B11R1.23 COC(=O)c1cc(cnc1)Br PB10112 [0,2,0,0,0,0|1,0,0]=3 1271 B11R1.23 COC(=O)c1cc(cnc1)F PB12769 [0,2,0,0,0,0|1,0,0]=3 1272 B11R1.23 COC(=O)c1cc(cnc1)N PB12793 [0,2,0,0,0,0|1,0,0]=3 1273 B11R1.23 COC(=O)c1cc(cnc1)O AB04590 [0,2,0,0,0,0|1,0,0]=3 1274 B11R1.23 COC(=O)c1cc(nnc1)Cl PB31801 [0,2,0,0,0,0|2,0,0]=4 1275 B11R1.23 COC(=O)c1cccc(c1)Cl AB00128 [0,2,0,0,0,0|2,0,0]=4 1276 B11R1.23 COC(=O)c1cncc(n1)Cl PB17754 [0,2,0,0,0,0|2,0,0]=4 1277 B11R1.23 COC(=O)c1cncc(n1)N AB60529 [0,2,0,0,0,0|2,0,0]=4 1278 B11R1.23 Cc1cc(cnc1)C(=O)OC PB14201 [0,2,0,0,0,0|1,0,0]=3 1279 B11R1.23 c1cc(cc(c1)Br)C(=O)C=O AB45356 [0,2,0,0,0,0|2,0,0]=4 1280 B11R1.23 c1cc(cc(c1)Br)C(=O)C=O AB48671 [0,2,0,0,0,0|2,0,0]=4 1281 B11R1.23 c1cc(cc(c1)Cl)C(=O)C#N MB03014 [0,2,0,0,0,0|1,0,1]=4 1282 B11R1.23 c1cc(cc(c1)Cl)C(=O)C=O AB48675 [0,2,0,0,0,0|2,0,0]=4 1283 B11R1.23 c1cc(cc(c1)F)C(=O)C=O AB29976 [0,2,0,0,0,0|2,0,0]=4 1284 B11R1.23 c1cc(cc(c1)N)C(=O)CBr AB27803 [0,2,0,0,0,0|2,0,0]=4 1285 B11R1.23 c1cc(nc(c1)I)C(=O)NN AB42520 [0,2,0,0,0,0|2,0,0]=4 1286 B11R1.23 c1cnc(cc1C(=O)NN)Cl PB13037 [0,2,0,0,0,0|2,0,0]=4 1287 B11R1.23 c1cnc(cc1C(=O)NN)N AB16208 [0,2,0,0,0,0|2,0,0]=4 1288 B11R1.23 c1cnc(cc1Cl)C(=O)NN AB09802 [0,2,0,0,0,0|2,0,0]=4 1289 B11R1.222 CCC(=O)c1ccccc1F MB00205 [0,2,0,0,0,0|2,0,0]=4 1290 B11R1.222 CNC(=O)c1c(cccn1)O MB12020 [0,2,0,0,0,0|2,0,0]=4 1291 B11R1.222 CNC(=O)c1ccccc1O MB00422 [0,2,0,0,0,0|1,0,0]=3 1292 B11R1.222 CNC(=O)c1ccncc1O MB25570 [0,2,0,0,0,0|2,0,0]=4 1293 B11R1.222 CNC(=O)c1cnccc1O MB38207 [0,2,0,0,0,0|0,0,0]=2 1294 B11R1.222 COC(=O)c1c(nccn1)Br PB16076 [0,2,0,0,0,0|2,0,0]=4 1295 B11R1.222 COC(=O)c1c(nccn1)Cl PB15729 [0,2,0,0,0,0|2,0,0]=4 1296 B11R1.222 COC(=O)c1c(nccn1)O AB13230 [0,2,0,0,0,0|2,0,0]=4 1297 B11R1.222 COC(=O)c1cccnc1Br AB31400 [0,2,0,0,0,0|1,0,0]=3 1298 B11R1.222 COC(=O)c1cccnc1Cl PB12739 [0,2,0,0,0,0|1,0,0]=3 1299 B11R1.222 COC(=O)c1cccnc1O AB44640 [0,2,0,0,0,0|1,0,0]=3 1300 B11R1.222 COC(=O)c1cnccc1Cl AB56385 [0,2,0,0,0,0|1,0,0]=3 1301 B11R1.222 COC(=O)c1cnccc1F AB70564 [0,2,0,0,0,0|1,0,0]=3 1302 B11R1.222 COC(=O)c1cnccc1N PB32232 [0,2,0,0,0,0|1,0,0]=3 1303 B11R1.222 COC(=O)c1cncnc1N AB70459 [0,2,0,0,0,0|2,0,0]=4 1304 B11R1.222 C\C(=N/N)\c1ccccc1O AB84931 [0,2,0,0,0,0|2,0,0]=4 1305 B11R1.222 Cc1c(nccn1)C(=O)OC AB48626 [0,2,0,0,0,0|2,0,0]=4 1306 B11R1.222 Cc1ccccc1C(=O)OC AB00946 [0,2,0,0,0,0|2,0,0]=4 1307 B11R1.222 Cc1cnncc1C(=O)OC PB35502 [0,2,0,0,0,0|2,0,0]=4 1308 B11R1.222 c1cc(c(nc1)Cl)C(=O)CBr AB69728 [0,2,0,0,0,0|1,0,0]=3 1309 B11R1.222 c1ccc(c(c1)C(=O)C#N)Cl MB02595 [0,2,0,0,0,0|1,0,1]=4 1310 B11R1.222 c1ccc(c(c1)C(=O)C=O)Cl AB55316 [0,2,0,0,0,0|2,0,0]=4 1311 B11R1.222 c1ccc(c(c1)C(=O)C=O)F AB49795 [0,2,0,0,0,0|2,0,0]=4 1312 B11R1.87 CC(C)(c1cccnc1Cl)N AB67370 [0,2,0,0,0,0|1,0,1]=4 1313 B11R1.87 CS(=O)(=O)c1cccnc1Br MB13950 [0,2,0,0,0,0|2,0,0]=4 1314 B11R1.87 CS(=O)(=O)c1cccnc1Cl PB15279 [0,2,0,0,0,0|2,0,0]=4 1315 B11R1.87 CS(=O)(=O)c1cnccc1Br MB13949 [0,2,0,0,0,0|2,0,0]=4 1316 B11R1.87 Cc1c(cccn1)C(C)(C)N AB66961 [0,2,0,0,0,0|1,0,1]=4 1317 B11R1.87 Cc1c(cccn1)S(=O)(=O)Cl AB66972 [0,2,0,0,0,0|2,0,0]=4 1318 B11R1.87 Cc1ccncc1S(=O)(=O)Cl AB67858 [0,2,0,0,0,0|2,0,0]=4 1319 B11R1.87 c1cc(c(nc1)Br)S(=O)(=O)Cl AB67303 [0,2,0,0,0,0|2,0,0]=4 1320 B11R1.87 c1ccc(c(c1)O)S(=O)(=O)N MB25652 [0,2,0,0,0,0|2,0,0]=4 1321 B11R1.87 c1ccc(c(c1)S(=O)(=O)N)Br AB04351 [0,2,0,0,0,0|2,0,0]=4 1322 B11R1.87 c1cncc(c1Br)S(=O)(=O)Cl AB67973 [0,2,0,0,0,0|2,0,0]=4 1323 B11R1.87 c1cncc(c1Cl)S(=O)(=O)Cl AB51226 [0,2,0,0,0,0|2,0,0]=4 1324 B11R1.87 c1cncc(c1F)S(=O)(=O)Cl AB68089 [0,2,0,0,0,0|2,0,0]=4 1325 B11R1.87 c1cncc(c1N)S(=O)(=O)O AB18016 [0,2,0,0,0,0|2,0,0]=4 1326 B11R1.87 c1cncc(c1O)S(=O)(=O)N MB07941 [0,2,0,0,0,0|1,0,0]=3 1327 B11R1.155 CC(C)(c1cc(cnc1)Br)N PB25668 [0,2,0,0,0,0|1,0,1]=4 1328 B11R1.155 CS(=O)(=O)c1cc(cnc1)Br MB07697 [0,2,0,0,0,0|2,0,0]=4 1329 B11R1.155 Cc1cc(cnc1)S(=O)(=O)Cl AB67519 [0,2,0,0,0,0|2,0,0]=4 1330 B11R1.155 c1c(cncc1Br)S(=O)(=O)Cl AB43830 [0,2,0,0,0,0|2,0,0]=4 1331 B11R1.155 c1c(cncc1Br)S(=O)(=O)O MB01414 [0,2,0,0,0,0|2,0,0]=4 1332 B11R1.155 c1c(cncc1Cl)S(=O)(=O)Cl AB67622 [0,2,0,0,0,0|2,0,0]=4 1333 B11R1.155 c1c(cncc1S(=O)(=O)Cl)F AB67686 [0,2,0,0,0,0|2,0,0]=4 1334 B11R1.155 c1cc(cc(c1)Br)S(=O)(=O)N AB03164 [0,2,0,0,0,0|2,0,0]=4 1335 B11R1.155 c1cc(cc(c1)S(=O)(=O)N)O MB25580 [0,2,0,0,0,0|2,0,0]=4 1336 B11R1.53 CC(=O)c1cccnc1OC AB64711 [0,2,0,0,0,0|1,0,0]=3 1337 B11R1.53 CC(=O)c1cnccc1OC AB67883 [0,2,0,0,0,0|1,0,0]=3 1338 B11R1.53 CC(c1cccnc1OC)N AB67098 [0,2,0,0,0,0|1,0,1]=4 1339 B11R1.53 CC(c1cnccc1OC)N AB67900 [0,2,0,0,0,0|1,0,1]=4 1340 B11R1.53 CCc1c(cccn1)[N+](=O)[O-] PB33572 [0,2,0,0,0,0|2,0,0]=4 1341 B11R1.53 CCc1ccccc1C(=S)N AB26904 [0,2,0,0,0,0|1,1,0]=4 1342 B11R1.53 COc1c(cccn1)C(=O)O PB18444 [0,2,0,0,0,0|1,0,0]=3 1343 B11R1.53 COc1c(nccn1)C(=O)O AB60438 [0,2,0,0,0,0|2,0,0]=4 1344 B11R1.53 COc1ccccc1C(=N)N AB27551 [0,2,0,0,0,0|2,0,0]=4 1345 B11R1.53 COc1ccccc1C(=S)N AB21279 [0,2,0,0,0,0|1,1,0]=4 1346 B11R1.53 COc1ccncc1C(=O)O AB20474 [0,2,0,0,0,0|1,0,0]=3 1347 B11R1.53 c1cc(c(nc1)C#N)C(=O)N AB31820 [0,2,0,0,0,0|0,0,0]=2 1348 B11R1.53 c1cc(c(nc1)C#N)C(=O)O AB31804 [0,2,0,0,0,0|1,0,0]=3 1349 B11R1.53 c1cc(c(nc1)C#N)[N+](=O)[O-] PB26194 [0,2,0,0,0,0|2,0,0]=4 1350 B11R1.53 c1cc(c(nc1)C(=O)N)C#N AB31810 [0,2,0,0,0,0|2,0,0]=4 1351 B11R1.53 c1cc(c(nc1)C=O)[N+](=O)[O-] PB28148 [0,2,0,0,0,0|2,0,0]=4 1352 B11R1.53 c1ccc(c(c1)CCl)C(=O)Cl CB10271 [0,2,0,0,0,0|2,0,0]=4 1353 B11R1.53 c1cncc(c1C=O)[N+](=O)[O-] AB23674 [0,2,0,0,0,0|2,0,0]=4 1354 B11R1.53 c1cncc(c1CN)[N+](=O)[O-] AB56465 [0,2,0,0,0,0|2,0,0]=4 1355 B11R1.156 CC(=O)c1c(ccnc1Br)N AB83821 [0,2,0,0,0,0|1,0,0]=3 1356 B11R1.156 CC(=O)c1c(ccnc1Br)O AB84219 [0,2,0,0,0,0|1,0,0]=3 1357 B11R1.156 CC(=O)c1c(ccnc1Cl)N AB83824 [0,2,0,0,0,0|1,0,0]=3 1358 B11R1.156 CC(=O)c1c(ccnc1Cl)O AB84222 [0,2,0,0,0,0|1,0,0]=3 1359 B11R1.156 CC(=O)c1c(ccnc1F)Cl AB83199 [0,2,0,0,0,0|1,0,0]=3 1360 B11R1.156 CC(=O)c1c(ccnc1N)O AB84223 [0,2,0,0,0,0|1,0,0]=3 1361 B11R1.156 CC(=O)c1c(ccnc1O)Br AB84232 [0,2,0,0,0,0|1,0,0]=3 1362 B11R1.156 CC(=O)c1c(ccnc1O)Cl AB84233 [0,2,0,0,0,0|1,0,0]=3 1363 B11R1.156 CC(=O)c1c(ccnc1O)N AB84237 [0,2,0,0,0,0|1,0,0]=3 1364 B11R1.156 Cc1c(c(ccn1)Br)C(=O)O AB66865 [0,2,0,0,0,0|1,0,0]=3 1365 B11R1.156 Cc1c(c(ccn1)Cl)C(=O)C AB75127 [0,2,0,0,0,0|1,0,0]=3 1366 B11R1.156 Cc1c(c(ccn1)Cl)C(=O)O AB49266 [0,2,0,0,0,0|1,0,0]=3 1367 B11R1.156 Cc1c(c(ccn1)F)C(=O)C AB83017 [0,2,0,0,0,0|1,0,0]=3 1368 B11R1.156 Cc1c(c(ccn1)F)C(=O)O AB66874 [0,2,0,0,0,0|1,0,0]=3 1369 B11R1.156 Cc1c(c(ccn1)N)C(=O)C AB83826 [0,2,0,0,0,0|1,0,0]=3 1370 B11R1.156 Cc1c(c(ccn1)O)C(=O)C AB84225 [0,2,0,0,0,0|1,0,0]=3 1371 B11R1.156 Cc1c(c(ccn1)O)C(=O)O AB66885 [0,2,0,0,0,0|1,0,0]=3 1372 B11R1.156 Cc1c(c(ncn1)C)C(=O)O AB42986 [0,2,0,0,0,0|2,0,0]=4 1373 B11R1.156 Cc1cccc(c1C(=O)N)O MB23485 [0,2,0,0,0,0|1,0,0]=3 1374 B11R1.156 Cc1cccc(c1C(=O)O)O MB01720 [0,2,0,0,0,0|2,0,0]=4 1375 B11R1.156 Cc1ccnc(c1C(=O)C)C AB76229 [0,2,0,0,0,0|1,0,0]=3 1376 B11R1.156 Cc1ccnc(c1C(=O)C)Cl AB83342 [0,2,0,0,0,0|1,0,0]=3 1377 B11R1.156 Cc1ccnc(c1C(=O)C)F AB41110 [0,2,0,0,0,0|1,0,0]=3 1378 B11R1.156 Cc1ccnc(c1C(=O)C)O AB84238 [0,2,0,0,0,0|1,0,0]=3 1379 B11R1.156 Cc1ccnc(c1C(=O)O)Br AB67819 [0,2,0,0,0,0|1,0,0]=3 1380 B11R1.156 Cc1ccnc(c1C(=O)O)C AB13832 [0,2,0,0,0,0|1,0,0]=3 1381 B11R1.156 Cc1ccnc(c1C(=O)O)C AB21009 [0,2,0,0,0,0|1,0,0]=3 1382 B11R1.156 Cc1ccnc(c1C(=O)O)Cl AB64079 [0,2,0,0,0,0|1,0,0]=3 1383 B11R1.156 Cc1ccnc(c1C(=O)O)F AB67822 [0,2,0,0,0,0|1,0,0]=3 1384 B11R1.156 Cc1ccnc(c1C(=O)O)N AB15101 [0,2,0,0,0,0|1,0,0]=3 1385 B11R1.156 Cc1ccnc(c1[N+](=O)[O-])Br AB17591 [0,2,0,0,0,0|2,0,0]=4 1386 B11R1.156 Cc1ccnc(c1[N+](=O)[O-])Cl PB12972 [0,2,0,0,0,0|2,0,0]=4 1387 B11R1.156 Cc1ccnc(c1[N+](=O)[O-])N PB25894 [0,2,0,0,0,0|2,0,0]=4 1388 B11R1.156 Cc1ccnc(c1[N+](=O)[O-])O CB10074 [0,2,0,0,0,0|2,0,0]=4 1389 B11R1.156 c1cc(c(c(c1)Br)C(=O)O)Cl MB01394 [0,2,0,0,0,0|2,0,0]=4 1390 B11R1.156 c1cc(c(c(c1)Br)C(=O)O)F PB24723 [0,2,0,0,0,0|2,0,0]=4 1391 B11R1.156 c1cc(c(c(c1)Br)C(=O)O)O MB13463 [0,2,0,0,0,0|2,0,0]=4 1392 B11R1.156 c1cc(c(c(c1)Cl)C(=N)N)F AB18302 [0,2,0,0,0,0|2,0,0]=4 1393 B11R1.156 c1cc(c(c(c1)Cl)C(=O)N)O MB31636 [0,2,0,0,0,0|1,0,0]=3 1394 B11R1.156 c1cc(c(c(c1)Cl)C(=O)O)O MB08537 [0,2,0,0,0,0|2,0,0]=4 1395 B11R1.156 c1cc(c(c(c1)F)C(=N)N)F AB18297 [0,2,0,0,0,0|2,0,0]=4 1396 B11R1.156 c1cc(c(c(c1)F)C(=O)N)O MB25665 [0,2,0,0,0,0|1,0,0]=3 1397 B11R1.156 c1cc(c(c(c1)I)C(=O)N)O MB38290 [0,2,0,0,0,0|1,0,0]=3 1398 B11R1.156 c1cc(c(c(c1)O)C(=O)N)N MB25426 [0,2,0,0,0,0|1,0,0]=3 1399 B11R1.156 c1cc(c(c(c1)O)C(=O)O)N MB25644 [0,2,0,0,0,0|2,0,0]=4 1400 B11R1.156 c1cnc(c(c1Br)C(=O)O)Cl AB67961 [0,2,0,0,0,0|1,0,0]=3 1401 B11R1.156 c1cnc(c(c1Br)C(=O)O)N AB83474 [0,2,0,0,0,0|1,0,0]=3 1402 B11R1.156 c1cnc(c(c1Br)[N+](=O)[O-])N PB34772 [0,2,0,0,0,0|2,0,0]=4 1403 B11R1.156 c1cnc(c(c1Cl)C(=O)O)Cl PB21990 [0,2,0,0,0,0|1,0,0]=3 1404 B11R1.156 c1cnc(c(c1Cl)C(=O)O)F AB70640 [0,2,0,0,0,0|1,0,0]=3 1405 B11R1.156 c1cnc(c(c1Cl)C(=O)O)N AB76504 [0,2,0,0,0,0|1,0,0]=3 1406 B11R1.156 c1cnc(c(c1Cl)[N+](=O)[O-])Cl PB25128 [0,2,0,0,0,0|2,0,0]=4 1407 B11R1.156 c1cnc(c(c1Cl)[N+](=O)[O-])N PB30811 [0,2,0,0,0,0|2,0,0]=4 1408 B11R1.156 c1cnc(c(c1F)C(=O)O)Br AB68046 [0,2,0,0,0,0|1,0,0]=3 1409 B11R1.156 c1cnc(c(c1F)C(=O)O)Cl AB62791 [0,2,0,0,0,0|1,0,0]=3 1410 B11R1.156 c1cnc(c(c1F)C(=O)O)F AB49328 [0,2,0,0,0,0|1,0,0]=3 1411 B11R1.156 c1cnc(c(c1I)C(=O)O)Cl AB21846 [0,2,0,0,0,0|1,0,0]=3 1412 B11R1.156 c1cnc(c(c1N)C(=O)O)Br AB68111 [0,2,0,0,0,0|1,0,0]=3 1413 B11R1.156 c1cnc(c(c1N)C(=O)O)Cl PB30056 [0,2,0,0,0,0|1,0,0]=3 1414 B11R1.156 c1cnc(c(c1N)C(=O)O)N AB83473 [0,2,0,0,0,0|1,0,0]=3 1415 B11R1.156 c1cnc(c(c1N)[N+](=O)[O-])Br PB29844 [0,2,0,0,0,0|2,0,0]=4 1416 B11R1.156 c1cnc(c(c1N)[N+](=O)[O-])Cl AB32151 [0,2,0,0,0,0|2,0,0]=4 1417 B11R1.156 c1cnc(c(c1N)[N+](=O)[O-])N AB09630 [0,2,0,0,0,0|2,0,0]=4 1418 B11R1.156 c1cnc(c(c1O)[N+](=O)[O-])Cl AB42470 [0,2,0,0,0,0|2,0,0]=4 1419 B11R1.156 c1nc(c(c(n1)Cl)C(=O)N)Cl AB54932 [0,2,0,0,0,0|1,0,0]=3 1420 B11R1.156 c1nc(c(c(n1)N)C(=O)N)N AB42170 [0,2,0,0,0,0|1,0,0]=3 1421 B11R1.159 CC(=O)c1cccc(c1F)Br PB23641 [0,2,0,0,0,0|2,0,0]=4 1422 B11R1.159 CC(=O)c1cccc(c1F)O AB69664 [0,2,0,0,0,0|2,0,0]=4 1423 B11R1.159 CC(=O)c1cccc(c1O)Br AB43855 [0,2,0,0,0,0|2,0,0]=4 1424 B11R1.159 CC(=O)c1cncc(c1Cl)F AB83147 [0,2,0,0,0,0|1,0,0]=3 1425 B11R1.159 CC(=O)c1cncc(c1Cl)N AB83878 [0,2,0,0,0,0|1,0,0]=3 1426 B11R1.159 CC(=O)c1cncc(c1Cl)O AB83996 [0,2,0,0,0,0|1,0,0]=3 1427 B11R1.159 CC(=O)c1cncc(c1F)Cl AB82971 [0,2,0,0,0,0|1,0,0]=3 1428 B11R1.159 CC(=O)c1cncc(c1N)Br AB83798 [0,2,0,0,0,0|1,0,0]=3 1429 B11R1.159 CC(=O)c1cncc(c1N)Cl AB83801 [0,2,0,0,0,0|1,0,0]=3 1430 B11R1.159 CC(=O)c1cncc(c1N)N AB83806 [0,2,0,0,0,0|1,0,0]=3 1431 B11R1.159 CC(=O)c1cncc(c1O)Br AB84178 [0,2,0,0,0,0|1,0,0]=3 1432 B11R1.159 CC(=O)c1cncc(c1O)Cl AB84029 [0,2,0,0,0,0|1,0,0]=3 1433 B11R1.159 CC(=O)c1cncc(c1O)N AB84182 [0,2,0,0,0,0|1,0,0]=3 1434 B11R1.159 Cc1c(cccc1O)C(=O)N MB23343 [0,2,0,0,0,0|1,0,0]=3 1435 B11R1.159 Cc1c(cncc1Br)[N+](=O)[O-] AB64738 [0,2,0,0,0,0|2,0,0]=4 1436 B11R1.159 Cc1c(cncc1Cl)C(=O)C AB83284 [0,2,0,0,0,0|1,0,0]=3 1437 B11R1.159 Cc1c(cncc1Cl)C(=O)O AB41997 [0,2,0,0,0,0|1,0,0]=3 1438 B11R1.159 Cc1cccc(c1N)C(=O)O AB00891 [0,2,0,0,0,0|2,0,0]=4 1439 B11R1.159 Cc1cccc(c1O)C(=O)N MB01077 [0,2,0,0,0,0|1,0,0]=3 1440 B11R1.159 Cc1cncc(c1C)C(=O)C AB75501 [0,2,0,0,0,0|1,0,0]=3 1441 B11R1.159 Cc1cncc(c1C)C(=O)O AB66692 [0,2,0,0,0,0|1,0,0]=3 1442 B11R1.159 Cc1cncc(c1Cl)C(=O)C AB83264 [0,2,0,0,0,0|1,0,0]=3 1443 B11R1.159 Cc1cncc(c1Cl)C(=O)O AB74918 [0,2,0,0,0,0|1,0,0]=3 1444 B11R1.159 Cc1cncc(c1F)C(=O)C AB75177 [0,2,0,0,0,0|1,0,0]=3 1445 B11R1.159 Cc1cncc(c1F)C(=O)O AB74900 [0,2,0,0,0,0|1,0,0]=3 1446 B11R1.159 Cc1cncc(c1N)C(=O)C AB83808 [0,2,0,0,0,0|1,0,0]=3 1447 B11R1.159 Cc1cncc(c1N)C(=O)O AB75852 [0,2,0,0,0,0|1,0,0]=3 1448 B11R1.159 Cc1cncc(c1O)C(=O)C AB84183 [0,2,0,0,0,0|1,0,0]=3 1449 B11R1.159 Cn1cccc(c1=O)C(=O)O PB12189 [0,2,0,0,0,0|1,0,1]=4 1450 B11R1.159 c1c(c(c(cn1)Br)Cl)[N+](=O)[O-] PB12460 [0,2,0,0,0,0|2,0,0]=4 1451 B11R1.159 c1c(c(c(cn1)Br)N)C(=O)O AB53577 [0,2,0,0,0,0|1,0,0]=3 1452 B11R1.159 c1c(c(c(cn1)Br)N)[N+](=O)[O-] PB14257 [0,2,0,0,0,0|2,0,0]=4 1453 B11R1.159 c1c(c(c(cn1)Br)O)[N+](=O)[O-] AB48391 [0,2,0,0,0,0|2,0,0]=4 1454 B11R1.159 c1c(c(c(cn1)Cl)Br)[N+](=O)[O-] PB14866 [0,2,0,0,0,0|2,0,0]=4 1455 B11R1.159 c1c(c(c(cn1)Cl)Cl)[N+](=O)[O-] PB31441 [0,2,0,0,0,0|2,0,0]=4 1456 B11R1.159 c1c(c(c(cn1)Cl)F)C(=O)O AB74903 [0,2,0,0,0,0|1,0,0]=3 1457 B11R1.159 c1c(c(c(cn1)Cl)N)C(=O)O AB53579 [0,2,0,0,0,0|1,0,0]=3 1458 B11R1.159 c1c(c(c(cn1)Cl)N)[N+](=O)[O-] PB13631 [0,2,0,0,0,0|2,0,0]=4 1459 B11R1.159 c1c(c(c(cn1)Cl)O)C(=O)O AB74884 [0,2,0,0,0,0|1,0,0]=3 1460 B11R1.159 c1c(c(c(cn1)F)Cl)C(=O)O AB74905 [0,2,0,0,0,0|1,0,0]=3 1461 B11R1.159 c1c(c(c(cn1)N)Cl)C(=O)O AB83881 [0,2,0,0,0,0|1,0,0]=3 1462 B11R1.159 c1c(c(c(cn1)N)N)C(=O)O AB83440 [0,2,0,0,0,0|1,0,0]=3 1463 B11R1.159 c1c(c(c(cn1)O)Cl)C(=O)O AB74891 [0,2,0,0,0,0|1,0,0]=3 1464 B11R1.159 c1c(c(c(cn1)[N+](=O)[O-])N)N AB08262 [0,2,0,0,0,0|2,0,0]=4 1465 B11R1.159 c1cc(c(c(c1)Br)F)C(=O)O PB18506 [0,2,0,0,0,0|2,0,0]=4 1466 B11R1.159 c1cc(c(c(c1)Br)N)C(=O)O AB15588 [0,2,0,0,0,0|2,0,0]=4 1467 B11R1.159 c1cc(c(c(c1)Br)O)C(=O)N MB00430 [0,2,0,0,0,0|1,0,0]=3 1468 B11R1.159 c1cc(c(c(c1)Cl)Cl)C(=N)N AB18396 [0,2,0,0,0,0|2,0,0]=4 1469 B11R1.159 c1cc(c(c(c1)Cl)F)C(=O)O AB01929 [0,2,0,0,0,0|2,0,0]=4 1470 B11R1.159 c1cc(c(c(c1)Cl)I)C(=O)O AB30453 [0,2,0,0,0,0|2,0,0]=4 1471 B11R1.159 c1cc(c(c(c1)Cl)N)C(=O)O AB03731 [0,2,0,0,0,0|2,0,0]=4 1472 B11R1.159 c1cc(c(c(c1)Cl)O)C(=O)N MB08413 [0,2,0,0,0,0|1,0,0]=3 1473 B11R1.159 c1cc(c(c(c1)F)F)C(=N)N AB18344 [0,2,0,0,0,0|2,0,0]=4 1474 B11R1.159 c1cc(c(c(c1)F)N)C(=O)O AB09241 [0,2,0,0,0,0|2,0,0]=4 1475 B11R1.159 c1cc(c(c(c1)F)O)C(=O)N MB25617 [0,2,0,0,0,0|1,0,0]=3 1476 B11R1.159 c1cc(c(c(c1)F)O)C(=O)O AB04085 [0,2,0,0,0,0|2,0,0]=4 1477 B11R1.159 c1cc(c(c(c1)I)O)C(=O)N MB33272 [0,2,0,0,0,0|1,0,0]=3 1478 B11R1.159 c1cc(c(c(c1)I)O)C(=O)O MB25549 [0,2,0,0,0,0|2,0,0]=4 1479 B11R1.159 c1cc(c(c(c1)N)O)C(=O)N MB25600 [0,2,0,0,0,0|1,0,0]=3 1480 B11R1.159 c1cc(c(c(c1)N)O)C(=O)O AB01026 [0,2,0,0,0,0|2,0,0]=4 1481 B11R1.159 c1cc(c(c(c1)O)Br)C(=O)O MB08513 [0,2,0,0,0,0|2,0,0]=4 1482 B11R1.159 c1cc(c(c(c1)O)Cl)C(=O)N MB27431 [0,2,0,0,0,0|1,0,0]=3 1483 B11R1.159 c1cc(c(c(c1)O)Cl)C(=O)O AB50521 [0,2,0,0,0,0|2,0,0]=4 1484 B11R1.159 c1cc(c(c(c1)O)F)C(=O)N MB25557 [0,2,0,0,0,0|1,0,0]=3 1485 B11R1.159 c1cc(c(c(c1)O)F)C(=O)O AB10200 [0,2,0,0,0,0|2,0,0]=4 1486 B11R1.159 c1cc(c(c(c1)O)I)C(=O)O MB26583 [0,2,0,0,0,0|2,0,0]=4 1487 B11R1.159 c1cc(c(c(c1)O)N)C(=O)N MB36976 [0,2,0,0,0,0|1,0,0]=3 1488 B11R1.159 c1cnc(c(c1C(=O)N)N)Cl AB14191 [0,2,0,0,0,0|2,0,0]=4 1489 B11R1.167 CC(=O)c1c(ncc(n1)Br)N AB72516 [0,2,0,0,0,0|2,0,0]=4 1490 B11R1.167 CC(=O)c1c(ncc(n1)Cl)Cl AB85729 [0,2,0,0,0,0|2,0,0]=4 1491 B11R1.167 CC(=O)c1c(ncc(n1)Cl)N AB72517 [0,2,0,0,0,0|2,0,0]=4 1492 B11R1.167 CC(=O)c1cc(ccc1Cl)N AB08220 [0,2,0,0,0,0|2,0,0]=4 1493 B11R1.167 CC(=O)c1cc(ccc1F)Br AB64047 [0,2,0,0,0,0|2,0,0]=4 1494 B11R1.167 CC(=O)c1cc(ccc1N)Br MB07776 [0,2,0,0,0,0|2,0,0]=4 1495 B11R1.167 CC(=O)c1cc(ccc1O)Br AB04623 [0,2,0,0,0,0|2,0,0]=4 1496 B11R1.167 CC(=O)c1cc(cnc1Cl)Br PB27914 [0,2,0,0,0,0|1,0,0]=3 1497 B11R1.167 CC(=O)c1cc(cnc1Cl)F AB70474 [0,2,0,0,0,0|1,0,0]=3 1498 B11R1.167 CC(=O)c1cc(cnc1F)Br AB65212 [0,2,0,0,0,0|1,0,0]=3 1499 B11R1.167 CC(=O)c1cc(cnc1F)Cl AB71956 [0,2,0,0,0,0|1,0,0]=3 1500 B11R1.167 CC(=O)c1cc(cnc1N)Br AB69719 [0,2,0,0,0,0|1,0,0]=3 1501 B11R1.167 CC(=O)c1cc(cnc1N)Cl AB69717 [0,2,0,0,0,0|1,0,0]=3 1502 B11R1.167 CC(=O)c1cc(cnc1N)N AB83829 [0,2,0,0,0,0|1,0,0]=3 1503 B11R1.167 CC(=O)c1cc(cnc1O)Br AB70678 [0,2,0,0,0,0|1,0,0]=3 1504 B11R1.167 CC(=O)c1cc(cnc1O)Cl AB72636 [0,2,0,0,0,0|1,0,0]=3 1505 B11R1.167 CC(=O)c1cc(cnc1O)N AB84258 [0,2,0,0,0,0|1,0,0]=3 1506 B11R1.167 CC(=O)c1cc(nnc1Cl)Cl AB76970 [0,2,0,0,0,0|2,0,0]=4 1507 B11R1.167 Cc1c(cc(cn1)Br)C(=O)O AB64295 [0,2,0,0,0,0|1,0,0]=3 1508 B11R1.167 Cc1c(cc(cn1)Br)[N+](=O)[O-] PB18952 [0,2,0,0,0,0|2,0,0]=4 1509 B11R1.167 Cc1c(cc(cn1)Cl)[N+](=O)[O-] PB11332 [0,2,0,0,0,0|2,0,0]=4 1510 B11R1.167 Cc1c(cc(cn1)I)[N+](=O)[O-] PB23994 [0,2,0,0,0,0|2,0,0]=4 1511 B11R1.167 Cc1cc(c(nc1)Br)C(=O)C AB85212 [0,2,0,0,0,0|1,0,0]=3 1512 B11R1.167 Cc1cc(c(nc1)Br)C(=O)O AB71098 [0,2,0,0,0,0|1,0,0]=3 1513 B11R1.167 Cc1cc(c(nc1)C)C(=O)C AB82541 [0,2,0,0,0,0|1,0,0]=3 1514 B11R1.167 Cc1cc(c(nc1)C)C(=O)O AB74606 [0,2,0,0,0,0|1,0,0]=3 1515 B11R1.167 Cc1cc(c(nc1)Cl)C(=O)C AB70468 [0,2,0,0,0,0|1,0,0]=3 1516 B11R1.167 Cc1cc(c(nc1)Cl)C(=O)O AB41816 [0,2,0,0,0,0|1,0,0]=3 1517 B11R1.167 Cc1cc(c(nc1)F)C(=O)C AB64670 [0,2,0,0,0,0|1,0,0]=3 1518 B11R1.167 Cc1cc(c(nc1)F)C(=O)O AB64831 [0,2,0,0,0,0|1,0,0]=3 1519 B11R1.167 Cc1cc(c(nc1)N)C(=O)C AB75421 [0,2,0,0,0,0|1,0,0]=3 1520 B11R1.167 Cc1cc(c(nc1)N)C(=O)O AB41822 [0,2,0,0,0,0|1,0,0]=3 1521 B11R1.167 Cc1cc(c(nc1)N)[N+](=O)[O-] AB02050 [0,2,0,0,0,0|2,0,0]=4 1522 B11R1.167 Cc1cc(c(nc1)O)C(=O)C AB84260 [0,2,0,0,0,0|1,0,0]=3 1523 B11R1.167 Cc1cc(c(nc1)O)C(=O)O CB11521 [0,2,0,0,0,0|1,0,0]=3 1524 B11R1.167 Cc1cc(c(nc1)O)[N+](=O)[O-] AB10657 [0,2,0,0,0,0|2,0,0]=4 1525 B11R1.167 Cc1ccc(c(c1)C(=O)N)O MB00262 [0,2,0,0,0,0|1,0,0]=3 1526 B11R1.167 Cc1ccc(cc1C(=N)N)F AB18355 [0,2,0,0,0,0|2,0,0]=4 1527 B11R1.167 Cc1ccc(cc1C(=O)N)O MB23455 [0,2,0,0,0,0|1,0,0]=3 1528 B11R1.167 Cc1ccc(cc1C(=O)O)O CB11294 [0,2,0,0,0,0|2,0,0]=4 1529 B11R1.167 Cc1cnc(c(n1)C(=O)C)C AB02268 [0,2,0,0,0,0|2,0,0]=4 1530 B11R1.167 c1c(c(nnc1Cl)Cl)C(=O)O PB10028 [0,2,0,0,0,0|2,0,0]=4 1531 B11R1.167 c1c(c(nnc1Cl)O)C(=O)O AB66294 [0,2,0,0,0,0|2,0,0]=4 1532 B11R1.167 c1c(cnc(c1C(=O)O)Br)Br PB10346 [0,2,0,0,0,0|1,0,0]=3 1533 B11R1.167 c1c(cnc(c1C(=O)O)Br)F AB64987 [0,2,0,0,0,0|1,0,0]=3 1534 B11R1.167 c1c(cnc(c1C(=O)O)Cl)Br PB24830 [0,2,0,0,0,0|1,0,0]=3 1535 B11R1.167 c1c(cnc(c1C(=O)O)Cl)Cl AB10181 [0,2,0,0,0,0|1,0,0]=3 1536 B11R1.167 c1c(cnc(c1C(=O)O)Cl)F PB34056 [0,2,0,0,0,0|1,0,0]=3 1537 B11R1.167 c1c(cnc(c1C(=O)O)Cl)N PB10371 [0,2,0,0,0,0|1,0,0]=3 1538 B11R1.167 c1c(cnc(c1C(=O)O)F)Br PB12417 [0,2,0,0,0,0|1,0,0]=3 1539 B11R1.167 c1c(cnc(c1C(=O)O)F)Cl AB17585 [0,2,0,0,0,0|1,0,0]=3 1540 B11R1.167 c1c(cnc(c1C(=O)O)N)Br PB12952 [0,2,0,0,0,0|1,0,0]=3 1541 B11R1.167 c1c(cnc(c1C(=O)O)N)Cl AB53538 [0,2,0,0,0,0|1,0,0]=3 1542 B11R1.167 c1c(cnc(c1C(=O)O)N)F AB70295 [0,2,0,0,0,0|1,0,0]=3 1543 B11R1.167 c1c(cnc(c1C(=O)O)N)N AB76147 [0,2,0,0,0,0|1,0,0]=3 1544 B11R1.167 c1c(cnc(c1C(=O)O)O)Br PB32486 [0,2,0,0,0,0|1,0,0]=3 1545 B11R1.167 c1c(cnc(c1C(=O)O)O)Cl AB04751 [0,2,0,0,0,0|1,0,0]=3 1546 B11R1.167 c1c(cnc(c1C(=O)O)O)F AB20976 [0,2,0,0,0,0|1,0,0]=3 1547 B11R1.167 c1c(cnc(c1[N+](=O)[O-])Br)Br PB16150 [0,2,0,0,0,0|2,0,0]=4 1548 B11R1.167 c1c(cnc(c1[N+](=O)[O-])Cl)Br PB14159 [0,2,0,0,0,0|2,0,0]=4 1549 B11R1.167 c1c(cnc(c1[N+](=O)[O-])Cl)Cl PB15850 [0,2,0,0,0,0|2,0,0]=4 1550 B11R1.167 c1c(cnc(c1[N+](=O)[O-])Cl)I PB26113 [0,2,0,0,0,0|2,0,0]=4 1551 B11R1.167 c1c(cnc(c1[N+](=O)[O-])F)Br AB40965 [0,2,0,0,0,0|2,0,0]=4 1552 B11R1.167 c1c(cnc(c1[N+](=O)[O-])F)Cl AB25968 [0,2,0,0,0,0|2,0,0]=4 1553 B11R1.167 c1c(cnc(c1[N+](=O)[O-])N)Br PB24568 [0,2,0,0,0,0|2,0,0]=4 1554 B11R1.167 c1c(cnc(c1[N+](=O)[O-])N)Cl PB32136 [0,2,0,0,0,0|2,0,0]=4 1555 B11R1.167 c1c(cnc(c1[N+](=O)[O-])N)I PB23379 [0,2,0,0,0,0|2,0,0]=4 1556 B11R1.167 c1c(cnc(c1[N+](=O)[O-])O)Cl AB03464 [0,2,0,0,0,0|2,0,0]=4 1557 B11R1.167 c1c(cnc(c1[N+](=O)[O-])O)I PB17637 [0,2,0,0,0,0|2,0,0]=4 1558 B11R1.167 c1c(cnc(c1[N+](=O)[O-])S)Br AB40943 [0,2,0,0,0,0|2,0,0]=4 1559 B11R1.167 c1c(cnc(c1[N+](=O)[O-])S)Cl AB41011 [0,2,0,0,0,0|2,0,0]=4 1560 B11R1.167 c1c(nc(c(n1)Cl)C(=O)O)Br AB73166 [0,2,0,0,0,0|2,0,0]=4 1561 B11R1.167 c1c(nc(c(n1)Cl)C(=O)O)Cl AB70505 [0,2,0,0,0,0|2,0,0]=4 1562 B11R1.167 c1c(nc(c(n1)N)C(=O)O)Br AB44798 [0,2,0,0,0,0|2,0,0]=4 1563 B11R1.167 c1c(nc(c(n1)N)C(=O)O)Cl AB60427 [0,2,0,0,0,0|2,0,0]=4 1564 B11R1.167 c1c(nc(c(n1)O)C(=O)N)F PB25591 [0,2,0,0,0,0|1,0,0]=3 1565 B11R1.167 c1c(nc(c(n1)O)C(=O)O)Br AB72520 [0,2,0,0,0,0|2,0,0]=4 1566 B11R1.167 c1cc(c(cc1Br)C(=N)N)F AB18339 [0,2,0,0,0,0|2,0,0]=4 1567 B11R1.167 c1cc(c(cc1Br)C(=O)N)N MB03086 [0,2,0,0,0,0|1,0,0]=3 1568 B11R1.167 c1cc(c(cc1Br)C(=O)O)F AB03871 [0,2,0,0,0,0|2,0,0]=4 1569 B11R1.167 c1cc(c(cc1Cl)C(=N)N)F AB21302 [0,2,0,0,0,0|2,0,0]=4 1570 B11R1.167 c1cc(c(cc1Cl)C(=O)O)F AB06694 [0,2,0,0,0,0|2,0,0]=4 1571 B11R1.167 c1cc(c(cc1F)C(=N)N)F AB18322 [0,2,0,0,0,0|2,0,0]=4 1572 B11R1.167 c1cc(c(cc1F)C(=O)N)O MB12068 [0,2,0,0,0,0|1,0,0]=3 1573 B11R1.167 c1cc(c(cc1F)C(=O)O)Br AB03824 [0,2,0,0,0,0|2,0,0]=4 1574 B11R1.167 c1cc(c(cc1F)C(=O)O)Cl AB04161 [0,2,0,0,0,0|2,0,0]=4 1575 B11R1.167 c1cc(c(cc1I)C(=O)N)O MB04152 [0,2,0,0,0,0|1,0,0]=3 1576 B11R1.167 c1cc(c(cc1I)C(=O)O)Br CB10208 [0,2,0,0,0,0|2,0,0]=4 1577 B11R1.167 c1cc(c(cc1N)C(=O)N)O MB13625 [0,2,0,0,0,0|1,0,0]=3 1578 B11R1.167 c1cc(c(cc1N)C(=O)O)Cl CB10057 [0,2,0,0,0,0|2,0,0]=4 1579 B11R1.167 c1cc(c(cc1O)C(=O)N)Br MB29532 [0,2,0,0,0,0|1,0,0]=3 1580 B11R1.167 c1cc(c(cc1O)C(=O)N)Cl MB35104 [0,2,0,0,0,0|1,0,0]=3 1581 B11R1.167 c1cc(c(cc1O)C(=O)N)F MB36923 [0,2,0,0,0,0|1,0,0]=3 1582 B11R1.167 c1cc(c(cc1O)C(=O)N)I MB32389 [0,2,0,0,0,0|1,0,0]=3 1583 B11R1.167 c1cc(c(cc1O)C(=O)N)N MB13629 [0,2,0,0,0,0|1,0,0]=3 1584 B11R1.167 c1cc(c(cc1O)C(=O)O)Br MB04161 [0,2,0,0,0,0|2,0,0]=4 1585 B11R1.167 c1cc(c(cc1O)C(=O)O)Cl CB10774 [0,2,0,0,0,0|2,0,0]=4 1586 B11R1.167 c1cc(c(cc1O)C(=O)O)I MB01071 [0,2,0,0,0,0|2,0,0]=4 1587 B11R1.167 c1cc(nc(c1N)C(=O)N)Cl PB16164 [0,2,0,0,0,0|2,0,0]=4 1588 B11R1.74 CC(=O)c1cc(cc(c1)Br)Br AB03014 [0,2,0,0,0,0|2,0,0]=4 1589 B11R1.74 CC(=O)c1cc(cc(c1)Br)Cl AB68467 [0,2,0,0,0,0|2,0,0]=4 1590 B11R1.74 CC(=O)c1cc(cc(c1)Br)F AB64734 [0,2,0,0,0,0|2,0,0]=4 1591 B11R1.74 CC(=O)c1cc(cc(c1)Br)O AB77772 [0,2,0,0,0,0|2,0,0]=4 1592 B11R1.74 CC(=O)c1cc(cc(c1)Cl)Cl AB02007 [0,2,0,0,0,0|2,0,0]=4 1593 B11R1.74 CC(=O)c1cc(cc(c1)Cl)F AB20622 [0,2,0,0,0,0|2,0,0]=4 1594 B11R1.74 CC(=O)c1cc(cc(c1)Cl)O AB66008 [0,2,0,0,0,0|2,0,0]=4 1595 B11R1.74 CC(=O)c1cc(cc(c1)F)F AB01921 [0,2,0,0,0,0|2,0,0]=4 1596 B11R1.74 CC(=O)c1cc(cc(c1)F)O AB70439 [0,2,0,0,0,0|2,0,0]=4 1597 B11R1.74 CC(=O)c1cc(cc(c1)I)Br AB12532 [0,2,0,0,0,0|2,0,0]=4 1598 B11R1.74 CC(=O)c1cc(cc(c1)I)Cl AB77751 [0,2,0,0,0,0|2,0,0]=4 1599 B11R1.74 CC(=O)c1cc(cc(c1)I)F AB77745 [0,2,0,0,0,0|2,0,0]=4 1600 B11R1.74 CC(=O)c1cc(cc(c1)I)I AB77773 [0,2,0,0,0,0|2,0,0]=4 1601 B11R1.74 CC(=O)c1cc(cc(c1)I)O AB77786 [0,2,0,0,0,0|2,0,0]=4 1602 B11R1.74 CC(=O)c1cc(cc(c1)O)O AB00220 [0,2,0,0,0,0|2,0,0]=4 1603 B11R1.74 Cc1cc(cc(c1)Br)C(=O)C AB76200 [0,2,0,0,0,0|2,0,0]=4 1604 B11R1.74 Cc1cc(cc(c1)Br)C(=O)O AB12648 [0,2,0,0,0,0|2,0,0]=4 1605 B11R1.74 Cc1cc(cc(c1)C(=O)C)C AB08165 [0,2,0,0,0,0|2,0,0]=4 1606 B11R1.74 Cc1cc(cc(c1)C(=O)O)C AB00235 [0,2,0,0,0,0|2,0,0]=4 1607 B11R1.74 Cc1cc(cc(c1)Cl)C(=O)C AB64283 [0,2,0,0,0,0|2,0,0]=4 1608 B11R1.74 Cc1cc(cc(c1)Cl)C(=O)O AB62676 [0,2,0,0,0,0|2,0,0]=4 1609 B11R1.74 Cc1cc(cc(c1)F)C(=O)C AB20635 [0,2,0,0,0,0|2,0,0]=4 1610 B11R1.74 Cc1cc(cc(c1)F)C(=O)O AB13316 [0,2,0,0,0,0|2,0,0]=4 1611 B11R1.74 Cc1cc(cc(c1)I)C(=O)C AB71471 [0,2,0,0,0,0|2,0,0]=4 1612 B11R1.74 Cc1cc(cc(c1)I)C(=O)O AB62677 [0,2,0,0,0,0|2,0,0]=4 1613 B11R1.74 Cc1cc(cc(c1)N)C(=O)O AB04836 [0,2,0,0,0,0|2,0,0]=4 1614 B11R1.74 Cc1cc(cc(c1)O)C(=O)C AB16910 [0,2,0,0,0,0|2,0,0]=4 1615 B11R1.74 Cc1cc(cc(c1)O)C(=O)N MB23370 [0,2,0,0,0,0|1,0,0]=3 1616 B11R1.74 Cc1cc(cc(c1)O)C(=O)O AB52735 [0,2,0,0,0,0|2,0,0]=4 1617 B11R1.74 c1c(cc(cc1Br)Br)C(=O)O AB02139 [0,2,0,0,0,0|2,0,0]=4 1618 B11R1.74 c1c(cc(cc1Br)I)C(=O)O AB04625 [0,2,0,0,0,0|2,0,0]=4 1619 B11R1.74 c1c(cc(cc1Cl)Br)C(=O)O AB29578 [0,2,0,0,0,0|2,0,0]=4 1620 B11R1.74 c1c(cc(cc1Cl)Cl)C(=N)N AB04366 [0,2,0,0,0,0|2,0,0]=4 1621 B11R1.74 c1c(cc(cc1Cl)Cl)C(=O)O AB00229 [0,2,0,0,0,0|2,0,0]=4 1622 B11R1.74 c1c(cc(cc1Cl)I)C(=O)O AB06860 [0,2,0,0,0,0|2,0,0]=4 1623 B11R1.74 c1c(cc(cc1F)Br)C(=O)O AB09246 [0,2,0,0,0,0|2,0,0]=4 1624 B11R1.74 c1c(cc(cc1F)Cl)C(=O)O AB07872 [0,2,0,0,0,0|2,0,0]=4 1625 B11R1.74 c1c(cc(cc1F)F)C(=N)N AB18358 [0,2,0,0,0,0|2,0,0]=4 1626 B11R1.74 c1c(cc(cc1F)F)C(=O)O AB01033 [0,2,0,0,0,0|2,0,0]=4 1627 B11R1.74 c1c(cc(cc1F)I)C(=O)O AB20696 [0,2,0,0,0,0|2,0,0]=4 1628 B11R1.74 c1c(cc(cc1I)I)C(=O)O AB06171 [0,2,0,0,0,0|2,0,0]=4 1629 B11R1.74 c1c(cc(cc1N)Br)C(=O)O AB04992 [0,2,0,0,0,0|2,0,0]=4 1630 B11R1.74 c1c(cc(cc1N)Cl)C(=O)O AB11542 [0,2,0,0,0,0|2,0,0]=4 1631 B11R1.74 c1c(cc(cc1N)F)C(=O)O AB42533 [0,2,0,0,0,0|2,0,0]=4 1632 B11R1.74 c1c(cc(cc1N)I)C(=O)O AB02789 [0,2,0,0,0,0|2,0,0]=4 1633 B11R1.74 c1c(cc(cc1N)N)C(=O)O AB00898 [0,2,0,0,0,0|2,0,0]=4 1634 B11R1.74 c1c(cc(cc1N)O)C(=O)N MB25638 [0,2,0,0,0,0|1,0,0]=3 1635 B11R1.74 c1c(cc(cc1N)O)C(=O)O AB29674 [0,2,0,0,0,0|2,0,0]=4 1636 B11R1.74 c1c(cc(cc1O)Br)C(=O)N MB25408 [0,2,0,0,0,0|1,0,0]=3 1637 B11R1.74 c1c(cc(cc1O)Br)C(=O)O AB29744 [0,2,0,0,0,0|2,0,0]=4 1638 B11R1.74 c1c(cc(cc1O)Cl)C(=O)O AB18080 [0,2,0,0,0,0|2,0,0]=4 1639 B11R1.74 c1c(cc(cc1O)F)C(=O)N MB34061 [0,2,0,0,0,0|1,0,0]=3 1640 B11R1.74 c1c(cc(cc1O)F)C(=O)O AB64637 [0,2,0,0,0,0|2,0,0]=4 1641 B11R1.74 c1c(cc(cc1O)I)C(=O)N MB13459 [0,2,0,0,0,0|1,0,0]=3 1642 B11R1.74 c1c(cc(cc1O)I)C(=O)O AB02791 [0,2,0,0,0,0|2,0,0]=4 1643 B11R1.74 c1c(cc(cc1O)O)C(=O)O AB00234 [0,2,0,0,0,0|2,0,0]=4 1644 B11R1.266 B(=O)c1cccc(c1)C(=O)Cl AB30050 [0,2,0,0,0,0|2,0,0]=4 1645 B11R1.266 CC(=O)c1cc(cnc1)C#N AB50231 [0,2,0,0,0,0|1,0,0]=3 1646 B11R1.266 CC(=O)c1cc(cnc1)OC AB41130 [0,2,0,0,0,0|1,0,0]=3 1647 B11R1.266 CC(=O)c1cccc(c1)C#C AB21440 [0,2,0,0,0,0|2,0,0]=4 1648 B11R1.266 CCc1cccc(c1)C(=S)N AB26908 [0,2,0,0,0,0|1,1,0]=4 1649 B11R1.266 COc1cc(cnc1)C(=O)O PB12749 [0,2,0,0,0,0|1,0,0]=3 1650 B11R1.266 COc1cccc(c1)C(=N)N AB18305 [0,2,0,0,0,0|2,0,0]=4 1651 B11R1.266 COc1cccc(c1)C(=S)N AB20844 [0,2,0,0,0,0|1,1,0]=4 1652 B11R1.266 COc1cccc(n1)C(=O)N AB43417 [0,2,0,0,0,0|2,0,0]=4 1653 B11R1.266 COc1ccnc(c1)C(=O)N AB07772 [0,2,0,0,0,0|2,0,0]=4 1654 B11R1.266 COc1cncc(n1)C(=O)O AB05020 [0,2,0,0,0,0|2,0,0]=4 1655 B11R1.266 c1c(cncc1C(=O)O)C#N AB31370 [0,2,0,0,0,0|1,0,0]=3 1656 B11R1.266 c1c(cncc1[N+](=O)[O-])C=O AB63117 [0,2,0,0,0,0|2,0,0]=4 1657 B11R1.266 c1c(cncc1[N+](=O)[O-])CN AB67772 [0,2,0,0,0,0|2,0,0]=4 1658 B11R1.266 c1cc(cc(c1)C(=N)N)C=O AB14991 [0,2,0,0,0,0|2,0,0]=4 1659 B11R2.10 C1C=CN=C2C1=NC(=N2)N AB16226 [0,0,0,1,0,1|1,0,1]=4 1660 B11R2.10 Cc1nc2c(o1)cccn2 AB21689 [0,0,0,1,0,1|1,0,1]=4 1661 B11R2.10 c1c2c(ncn1)NC(=O)C2 PB13160 [0,0,0,1,0,1|1,0,0]=3 1662 B11R2.10 c1cc2=NC(=O)N=c2nc1 AB06227 [0,0,0,1,0,1|0,0,1]=3 1663 B11R2.10 c1cc2c(nc1)CC(=O)N2 PB29192 [0,0,0,1,0,1|1,0,0]=3 1664 B11R2.10 c1cc2c(nc1)NC(=O)C2 PB29419 [0,0,0,1,0,1|0,0,0]=2 1665 B11R2.10 c1cc2c(nc1)nc(o2)Cl AB63474 [0,0,0,1,0,1|1,0,1]=4 1666 B11R2.10 c1cc2c(nc1)nc(o2)N AB63475 [0,0,0,1,0,1|1,0,0]=3 1667 B11R2.10 c1cc2c(nc1)nc(s2)S AB04817 [0,0,0,1,0,1|0,1,1]=4 1668 B11R2.10 c1cc2c(nc1)oc(n2)S AB65959 [0,0,0,1,0,1|1,0,1]=4 1669 B11R2.10 c1cc2c(nc1)sc(n2)Br MB05754 [0,0,0,1,0,1|1,1,0]=4 1670 B11R2.10 c1cc2c(nc1)sc(n2)Cl AB69999 [0,0,0,1,0,1|1,1,0]=4 1671 B11R2.10 c1cc2c(nc1)sc(n2)N AB04928 [0,0,0,1,0,1|0,1,0]=3 1672 B11R2.10 c1cc2c(nc1)sc(n2)S AB04404 [0,0,0,1,0,1|1,1,0]=4 1673 B11R2.10 c1ccc2c(c1)CC(=O)N2 AB00523 [0,0,0,1,0,1|1,0,0]=3 1674 B11R2.10 c1cn2cc(nc2cn1)N AB76352 [0,0,0,1,0,1|2,0,0]=4 1675 B11R2.10 c1cncc2=NC(=O)N=c21 AB11607 [0,0,0,1,0,1|0,0,1]=3 1676 B11R2.10 c1cncc2c1CC(=O)N2 PB19637 [0,0,0,1,0,1|1,0,0]=3 1677 B11R2.10 c1cncc2c1NC(=O)C2 PB17659 [0,0,0,1,0,1|0,0,0]=2 1678 B11R2.10 c1cncc2c1nc(o2)S AB65956 [0,0,0,1,0,1|0,1,1]=4 1679 B11R2.10 c1cncc2c1nc(s2)N PB34487 [0,0,0,1,0,1|1,0,0]=3 1680 B11R2.10 c1cncc2c1nc(s2)S AB65962 [0,0,0,1,0,1|0,1,1]=4 1681 B11R2.10 c1cncc2c1oc(n2)S AB65952 [0,0,0,1,0,1|1,0,1]=4 1682 B11R2.10 c1cncc2c1sc(n2)N MB05751 [0,0,0,1,0,1|0,1,0]=3 1683 B11R2.10 c1cncc2c1sc(n2)S AB65960 [0,0,0,1,0,1|1,1,0]=4 1684 B11R2.1 CC1=c2cccnc2=NC1 PB29501 [0,1,0,1,0,0|1,0,1]=4 1685 B11R2.1 c1cc2c(nc1)CCC2=O PB12461 [0,1,0,1,0,0|1,0,0]=3 1686 B11R2.1 c1cc2c(nc1)CCC2N AB32640 [0,1,0,1,0,0|1,0,1]=4 1687 B11R2.1 c1cc2c(nc1)OCC2=O AB70107 [0,1,0,1,0,0|1,0,0]=3 1688 B11R2.1 c1cc2c(nc1)OCC2N AB70106 [0,1,0,1,0,0|0,0,2]=4 1689 B11R2.1 c1ccc2c(c1)C(=O)CO2 AB02144 [0,1,0,1,0,0|2,0,0]=4 1690 B11R2.1 c1ccc2c(c1)C(=O)N=N2 MB00163 [0,1,0,1,0,0|1,0,1]=4 1691 B11R2.1 c1ccc2c(c1)CNC2=O AB13096 [0,1,0,1,0,0|1,0,0]=3 1692 B11R2.1 c1cncc2c1C(=O)NC2 AB66595 [0,1,0,1,0,0|2,0,0]=4 1693 B11R2.1 c1cncc2c1CNC2=O PB33122 [0,1,0,1,0,0|0,0,0]=2 1694 B11R2.1 c1cncc2c1cnn2N MB12332 [0,1,0,1,0,0|2,0,0]=4 1695 B11R2.40 c1cc(cnc1)C2(CC2)N AB43088 [0,1,0,1,0,0|1,0,1]=4 1696 B7R1.1 C1=NC=NC1C=O PB14141 [1,0,0,0,1,0|1,0,1]=4 1697 B7R1.1 C1=NN=CC1C=O PB14282 [1,0,0,0,1,0|1,0,1]=4 1698 B7R1.1 C1C=C(C=N1)C=O AB15013 [1,0,0,0,1,0|0,0,1]=3 1699 B7R1.1 C1C=C(N=N1)C=O AB25611 [1,0,0,0,1,0|1,0,1]=4 1700 B7R1.1 C1C=CN=C1C=O AB00388 [1,0,0,0,1,0|0,0,1]=3 1701 B7R1.1 c1[nH]c(nn1)C=O AB48516 [1,0,0,0,1,0|2,0,0]=4 1702 B7R1.1 c1[nH]nc(n1)C=O AB63486 [1,0,0,0,1,0|2,0,0]=4 1703 B7R1.1 c1c(con1)C=O AB11289 [1,0,0,0,1,0|1,0,0]=3 1704 B7R1.1 c1c(con1)CN AB28201 [1,0,0,0,1,0|1,0,1]=4 1705 B7R1.1 c1c(con1)CN PB34298 [1,0,0,0,1,0|1,0,1]=4 1706 B7R1.1 c1c(csn1)C=O AB62620 [1,0,0,0,1,0|1,0,0]=3 1707 B7R1.1 c1c(csn1)CN AB62615 [1,0,0,0,1,0|1,0,1]=4 1708 B7R1.1 c1c(nco1)C=O PB23292 [1,0,0,0,1,0|1,0,0]=3 1709 B7R1.1 c1c(nco1)CN PB29323 [1,0,0,0,1,0|1,0,1]=4 1710 B7R1.1 c1c(ncs1)C=O AB06592 [1,0,0,0,1,0|1,0,0]=3 1711 B7R1.1 c1c(ncs1)CN AB27866 [1,0,0,0,1,0|1,0,1]=4 1712 B7R1.1 c1c(ncs1)CN PB21996 [1,0,0,0,1,0|1,0,1]=4 1713 B7R1.1 c1c(ocn1)C=O AB11283 [1,0,0,0,1,0|1,0,0]=3 1714 B7R1.1 c1c(ocn1)CN AB30442 [1,0,0,0,1,0|1,0,1]=4 1715 B7R1.1 c1c(scn1)C=O AB11293 [1,0,0,0,1,0|1,0,0]=3 1716 B7R1.1 c1c(scn1)CN AB27929 [1,0,0,0,1,0|1,0,1]=4 1717 B7R1.1 c1c(scn1)CN PB32316 [1,0,0,0,1,0|1,0,1]=4 1718 B7R1.1 c1cc(sc1)CN PB17027 [1,0,0,0,1,0|1,0,1]=4 1719 B7R1.1 c1cn(nn1)C=O MB06576 [1,0,0,0,1,0|2,0,0]=4 1720 B7R1.1 c1cnoc1CN AB27950 [1,0,0,0,1,0|1,0,1]=4 1721 B7R1.1 c1cnoc1CN AB27954 [1,0,0,0,1,0|1,0,1]=4 1722 B7R1.1 c1cnsc1C=O AB32448 [1,0,0,0,1,0|1,0,0]=3 1723 B7R1.1 c1cnsc1CN AB70840 [1,0,0,0,1,0|1,0,1]=4 1724 B7R1.1 c1coc(n1)C=O AB14413 [1,0,0,0,1,0|1,0,0]=3 1725 B7R1.1 c1coc(n1)CN AB19275 [1,0,0,0,1,0|1,0,1]=4 1726 B7R1.1 c1coc(n1)CN AB28202 [1,0,0,0,1,0|1,0,1]=4 1727 B7R1.1 c1conc1C=O PB26237 [1,0,0,0,1,0|1,0,0]=3 1728 B7R1.1 c1conc1CN PB24935 [1,0,0,0,1,0|1,0,1]=4 1729 B7R1.1 c1csc(n1)C=O PB12109 [1,0,0,0,1,0|1,0,0]=3 1730 B7R1.1 c1csc(n1)CN MB03193 [1,0,0,0,1,0|1,0,1]=4 1731 B7R1.1 c1csc(n1)CN PB20005 [1,0,0,0,1,0|1,0,1]=4 1732 B7R1.1 c1cscc1C=O PB14065 [1,0,0,0,1,0|1,0,0]=3 1733 B7R1.1 c1cscc1CN AB13999 [1,0,0,0,1,0|1,0,1]=4 1734 B7R1.1 c1cscc1CN PB12237 [1,0,0,0,1,0|1,0,1]=4 1735 B7R1.1 c1csnc1CN PB23687 [1,0,0,0,1,0|1,0,1]=4 1736 B11R1.91 CC(=O)OCc1cccnc1 AB49310 [0,0,0,0,0,2|1,0,0]=3 1737 B11R1.91 CC(=O)\C=C\c1ccccc1 CB10061 [0,0,0,0,0,2|2,0,0]=4 1738 B11R1.91 c1ccc(cc1)CSC(=N)N AB01105 [0,0,0,0,0,2|2,0,0]=4