0 B11R1.22 CCC(=O)c1ccc(cn1)Br AB68534 [0,0,0,0,0,0|3,0,0]=3 1 B11R1.22 CNC(=O)c1ccc(cc1)O MB02709 [0,0,0,0,0,0|1,0,0]=1 2 B11R1.22 CNC(=O)c1ccc(cn1)O MB11446 [0,0,0,0,0,0|2,0,0]=2 3 B11R1.22 CNC(=O)c1ccc(nc1)Br MB07978 [0,0,0,0,0,0|3,0,0]=3 4 B11R1.22 CNC(=O)c1ccc(nn1)Cl MB11670 [0,0,0,0,0,0|4,0,0]=4 5 B11R1.22 CNC(=O)c1cnc(cn1)Br MB14257 [0,0,0,0,0,0|4,0,0]=4 6 B11R1.22 COC(=N)c1ccc(cc1)F AB60956 [0,0,0,0,0,0|2,0,0]=2 7 B11R1.22 COC(=N)c1ccc(cc1)N AB60980 [0,0,0,0,0,0|2,0,0]=2 8 B11R1.22 COC(=N)c1ccc(cc1)O AB01949 [0,0,0,0,0,0|1,0,0]=1 9 B11R1.22 COC(=O)c1ccc(cn1)Br PB29312 [0,0,0,0,0,0|2,0,0]=2 10 B11R1.22 COC(=O)c1ccc(cn1)Cl AB51080 [0,0,0,0,0,0|2,0,0]=2 11 B11R1.22 COC(=O)c1ccc(cn1)N PB26290 [0,0,0,0,0,0|2,0,0]=2 12 B11R1.22 COC(=O)c1ccc(cn1)O PB27686 [0,0,0,0,0,0|1,0,0]=1 13 B11R1.22 COC(=O)c1ccc(nc1)Br PB29326 [0,0,0,0,0,0|2,0,0]=2 14 B11R1.22 COC(=O)c1ccc(nc1)N PB19892 [0,0,0,0,0,0|2,0,0]=2 15 B11R1.22 COC(=O)c1ccc(nc1)O PB34296 [0,0,0,0,0,0|1,0,0]=1 16 B11R1.22 COC(=O)c1ccc(nn1)Br MB13587 [0,0,0,0,0,0|3,0,0]=3 17 B11R1.22 COC(=O)c1ccc(nn1)Cl PB18925 [0,0,0,0,0,0|3,0,0]=3 18 B11R1.22 COC(=O)c1ccc(nn1)N PB33362 [0,0,0,0,0,0|3,0,0]=3 19 B11R1.22 COC(=O)c1ccc(nn1)O PB13716 [0,0,0,0,0,0|2,0,0]=2 20 B11R1.22 COC(=O)c1cnc(cn1)Br MB08354 [0,0,0,0,0,0|3,0,0]=3 21 B11R1.22 COC(=O)c1cnc(cn1)Cl PB33958 [0,0,0,0,0,0|3,0,0]=3 22 B11R1.22 COC(=O)c1cnc(cn1)N PB12687 [0,0,0,0,0,0|3,0,0]=3 23 B11R1.22 COC(=O)c1cnc(cn1)O PB32586 [0,0,0,0,0,0|2,0,0]=2 24 B11R1.22 COC(=O)c1cnc(nc1)Br MB14326 [0,0,0,0,0,0|3,0,0]=3 25 B11R1.22 COC(=O)c1cnc(nc1)Cl PB17570 [0,0,0,0,0,0|3,0,0]=3 26 B11R1.22 COC(=O)c1cnc(nc1)N PB27896 [0,0,0,0,0,0|3,0,0]=3 27 B11R1.22 COC(=O)c1ncc(cn1)Br PB26634 [0,0,0,0,0,0|3,0,0]=3 28 B11R1.22 COC(=O)c1ncc(cn1)N PB10524 [0,0,0,0,0,0|3,0,0]=3 29 B11R1.22 COC(=O)c1ncc(cn1)N PB37109 [0,0,0,0,0,0|3,0,0]=3 30 B11R1.22 COS(=O)c1ccc(cc1)Cl AB45287 [0,0,0,0,0,0|2,0,0]=2 31 B11R1.22 Cc1ccc(cc1)C(=O)C=O AB05249 [0,0,0,0,0,0|3,0,0]=3 32 B11R1.22 Cc1ccc(cc1)C(=O)C=O AB05288 [0,0,0,0,0,0|3,0,0]=3 33 B11R1.22 Cc1cnc(nc1)C(=O)OC PB28603 [0,0,0,0,0,0|3,0,0]=3 34 B11R1.22 Cc1ncc(cn1)C(=O)OC PB10888 [0,0,0,0,0,0|3,0,0]=3 35 B11R1.22 c1cc(ccc1C(=O)C#N)Br MB00883 [0,0,0,0,0,0|3,0,0]=3 36 B11R1.22 c1cc(ccc1C(=O)C=O)Br AB07939 [0,0,0,0,0,0|3,0,0]=3 37 B11R1.22 c1cc(ccc1C(=O)C=O)Br AB49987 [0,0,0,0,0,0|3,0,0]=3 38 B11R1.22 c1cc(ccc1C(=O)C=O)Cl AB44429 [0,0,0,0,0,0|3,0,0]=3 39 B11R1.22 c1cc(ccc1C(=O)C=O)F AB09010 [0,0,0,0,0,0|3,0,0]=3 40 B11R1.22 c1cc(ccc1C(=O)C=O)O AB02263 [0,0,0,0,0,0|2,0,0]=2 41 B11R1.22 c1cc(ccc1C(=O)CN)Br CB10172 [0,0,0,0,0,0|3,0,0]=3 42 B11R1.22 c1cc(ccc1C(=O)CO)F MB02453 [0,0,0,0,0,0|3,0,0]=3 43 B11R1.22 c1cc(ncc1Br)C(=O)CBr AB69651 [0,0,0,0,0,0|4,0,0]=4 44 B11R1.22 c1cc(ncc1C(=O)CBr)Cl AB13128 [0,0,0,0,0,0|4,0,0]=4 45 B11R1.22 c1cc(ncc1Cl)C(=O)CBr AB60184 [0,0,0,0,0,0|4,0,0]=4 46 B10R1.1 Cc1ccc(cc1)\C=C\Br AB73509 [1,0,0,0,0,0|3,0,0]=4 47 B10R1.1 c1cc(ccc1\C=C\Br)Br AB32162 [1,0,0,0,0,0|3,0,0]=4 48 B10R1.1 c1cc(ccc1\C=C\Br)Cl AB32165 [1,0,0,0,0,0|3,0,0]=4 49 B10R1.1 c1cc(ccc1\C=C\Br)F AB66443 [1,0,0,0,0,0|3,0,0]=4 50 B10R1.1 c1cc(ccc1\C=N\O)Br AB06151 [1,0,0,0,0,0|3,0,0]=4 51 B10R1.13 B(c1ccc(cc1)Br)(O)O AB00202 [1,0,0,0,0,0|2,0,1]=4 52 B10R1.13 B(c1ccc(cc1)C)(O)O AB01767 [1,0,0,0,0,0|2,0,1]=4 53 B10R1.13 B(c1ccc(cc1)Cl)(O)O AB01763 [1,0,0,0,0,0|2,0,1]=4 54 B10R1.13 B(c1ccc(cc1)F)(O)O AB01761 [1,0,0,0,0,0|2,0,1]=4 55 B10R1.13 B(c1ccc(cc1)I)(O)O AB08832 [1,0,0,0,0,0|2,0,1]=4 56 B10R1.13 B(c1ccc(cc1)N)(O)O AB08102 [1,0,0,0,0,0|2,0,1]=4 57 B10R1.13 B(c1ccc(cc1)O)(O)O AB08076 [1,0,0,0,0,0|1,0,1]=3 58 B10R1.13 B(c1ccc(cc1)S)(O)O AB13276 [1,0,0,0,0,0|1,1,1]=4 59 B10R1.13 B(c1ccc(nc1)O)(O)O AB54706 [1,0,0,0,0,0|2,0,1]=4 60 B10R1.13 CC(=C)c1ccc(cc1)O CB10241 [1,0,0,0,0,0|1,0,0]=2 61 B10R1.13 CC(=O)c1ccc(cn1)Br AB21518 [1,0,0,0,0,0|2,0,0]=3 62 B10R1.13 CC(=O)c1ccc(cn1)Cl AB41101 [1,0,0,0,0,0|2,0,0]=3 63 B10R1.13 CC(=O)c1ccc(cn1)F AB62503 [1,0,0,0,0,0|2,0,0]=3 64 B10R1.13 CC(=O)c1ccc(cn1)N AB60315 [1,0,0,0,0,0|2,0,0]=3 65 B10R1.13 CC(=O)c1ccc(cn1)O AB60308 [1,0,0,0,0,0|1,0,0]=2 66 B10R1.13 CC(=O)c1ccc(nc1)Br AB21520 [1,0,0,0,0,0|2,0,0]=3 67 B10R1.13 CC(=O)c1ccc(nc1)Cl AB14033 [1,0,0,0,0,0|2,0,0]=3 68 B10R1.13 CC(=O)c1ccc(nc1)F AB41115 [1,0,0,0,0,0|2,0,0]=3 69 B10R1.13 CC(=O)c1ccc(nc1)N AB49552 [1,0,0,0,0,0|2,0,0]=3 70 B10R1.13 CC(=O)c1ccc(nc1)O AB60297 [1,0,0,0,0,0|1,0,0]=2 71 B10R1.13 CC(=O)c1ccc(nn1)Cl PB20488 [1,0,0,0,0,0|3,0,0]=4 72 B10R1.13 CC(=O)c1cnc(cn1)Cl AB65450 [1,0,0,0,0,0|3,0,0]=4 73 B10R1.13 CC(=O)c1cnc(nc1)Cl AB59098 [1,0,0,0,0,0|3,0,0]=4 74 B10R1.13 CC(=O)c1ncc(cn1)Br PB34979 [1,0,0,0,0,0|3,0,0]=4 75 B10R1.13 CC(=O)c1ncc(cn1)F PB24344 [1,0,0,0,0,0|3,0,0]=4 76 B10R1.13 CC(C)c1ccc(cn1)O MB08432 [1,0,0,0,0,0|2,0,1]=4 77 B10R1.13 CN(C)c1ccc(cc1)O CB10546 [1,0,0,0,0,0|2,0,0]=3 78 B10R1.13 CN(C)c1ccc(cc1)O MB02001 [1,0,0,0,0,0|2,0,0]=3 79 B10R1.13 CN(C)c1ccc(cn1)O MB24899 [1,0,0,0,0,0|3,0,0]=4 80 B10R1.13 Cc1ccc(cc1)C(=N)N AB01792 [1,0,0,0,0,0|3,0,0]=4 81 B10R1.13 Cc1ccc(cc1)C(=S)N AB04365 [1,0,0,0,0,0|2,1,0]=4 82 B10R1.13 Cc1ccc(cn1)C(=O)C AB03568 [1,0,0,0,0,0|2,0,0]=3 83 B10R1.13 Cc1ccc(cn1)C(=O)Cl AB44670 [1,0,0,0,0,0|3,0,0]=4 84 B10R1.13 Cc1ccc(cn1)C(=O)O AB00723 [1,0,0,0,0,0|2,0,0]=3 85 B10R1.13 Cc1ccc(nc1)C(=O)C AB25779 [1,0,0,0,0,0|2,0,0]=3 86 B10R1.13 Cc1ccc(nc1)C(=O)O AB09798 [1,0,0,0,0,0|2,0,0]=3 87 B10R1.13 Cc1ccc(nn1)C(=O)C AB75459 [1,0,0,0,0,0|3,0,0]=4 88 B10R1.13 Cc1ccc(nn1)C(=O)O AB52759 [1,0,0,0,0,0|3,0,0]=4 89 B10R1.13 Cc1cnc(cn1)C(=O)C AB02269 [1,0,0,0,0,0|3,0,0]=4 90 B10R1.13 Cc1cnc(cn1)C(=O)O PB12995 [1,0,0,0,0,0|3,0,0]=4 91 B10R1.13 Cc1cnc(nc1)C(=O)O PB29748 [1,0,0,0,0,0|3,0,0]=4 92 B10R1.13 Cc1ncc(cn1)C(=O)O PB27884 [1,0,0,0,0,0|3,0,0]=4 93 B10R1.13 c1c(cnc(n1)C(=O)O)Br PB33902 [1,0,0,0,0,0|3,0,0]=4 94 B10R1.13 c1c(cnc(n1)C(=O)O)Cl PB13081 [1,0,0,0,0,0|3,0,0]=4 95 B10R1.13 c1c(cnc(n1)C(=O)O)F PB31127 [1,0,0,0,0,0|3,0,0]=4 96 B10R1.13 c1c(cnc(n1)C(=O)O)N PB34128 [1,0,0,0,0,0|3,0,0]=4 97 B10R1.13 c1c(cnc(n1)Cl)C(=O)O PB24941 [1,0,0,0,0,0|3,0,0]=4 98 B10R1.13 c1c(cnc(n1)N)C(=O)O AB22915 [1,0,0,0,0,0|3,0,0]=4 99 B10R1.13 c1c(cnc(n1)O)C(=O)O PB14569 [1,0,0,0,0,0|2,0,0]=3 100 B10R1.13 c1c(ncc(n1)Br)C(=O)O AB54768 [1,0,0,0,0,0|3,0,0]=4 101 B10R1.13 c1c(ncc(n1)Cl)C(=O)O PB34349 [1,0,0,0,0,0|3,0,0]=4 102 B10R1.13 c1c(ncc(n1)N)C(=O)O PB32499 [1,0,0,0,0,0|3,0,0]=4 103 B10R1.13 c1c(ncc(n1)O)C(=O)O PB32161 [1,0,0,0,0,0|2,0,0]=3 104 B10R1.13 c1cc(ccc1C(=N)N)Br AB06234 [1,0,0,0,0,0|3,0,0]=4 105 B10R1.13 c1cc(ccc1C(=N)N)Cl AB03527 [1,0,0,0,0,0|3,0,0]=4 106 B10R1.13 c1cc(ccc1C(=N)N)F AB18284 [1,0,0,0,0,0|3,0,0]=4 107 B10R1.13 c1cc(ccc1C(=N)N)I AB18403 [1,0,0,0,0,0|3,0,0]=4 108 B10R1.13 c1cc(ccc1C(=N)N)N AB01119 [1,0,0,0,0,0|3,0,0]=4 109 B10R1.13 c1cc(ccc1C(=N)N)O AB03766 [1,0,0,0,0,0|2,0,0]=3 110 B10R1.13 c1cc(ccc1C(=S)N)Br AB18142 [1,0,0,0,0,0|2,1,0]=4 111 B10R1.13 c1cc(ccc1C(=S)N)Cl AB01841 [1,0,0,0,0,0|2,1,0]=4 112 B10R1.13 c1cc(ccc1C(=S)N)F AB08498 [1,0,0,0,0,0|2,1,0]=4 113 B10R1.13 c1cc(ccc1C(=S)N)N AB01833 [1,0,0,0,0,0|2,1,0]=4 114 B10R1.13 c1cc(ccc1C(=S)N)O AB21285 [1,0,0,0,0,0|1,1,0]=3 115 B10R1.13 c1cc(ncc1Br)C(=O)O PB32197 [1,0,0,0,0,0|2,0,0]=3 116 B10R1.13 c1cc(ncc1Br)C(=O)[O-] AB42654 [1,0,0,0,0,0|2,0,1]=4 117 B10R1.13 c1cc(ncc1C(=O)Cl)F AB42627 [1,0,0,0,0,0|3,0,0]=4 118 B10R1.13 c1cc(ncc1C(=O)N)Br MB01098 [1,0,0,0,0,0|3,0,0]=4 119 B10R1.13 c1cc(ncc1C(=O)O)Br PB18554 [1,0,0,0,0,0|2,0,0]=3 120 B10R1.13 c1cc(ncc1C(=O)O)Cl AB00659 [1,0,0,0,0,0|2,0,0]=3 121 B10R1.13 c1cc(ncc1C(=O)O)F AB09999 [1,0,0,0,0,0|2,0,0]=3 122 B10R1.13 c1cc(ncc1C(=O)O)N AB17940 [1,0,0,0,0,0|2,0,0]=3 123 B10R1.13 c1cc(ncc1C(=O)O)N PB21621 [1,0,0,0,0,0|2,0,0]=3 124 B10R1.13 c1cc(ncc1C(=O)O)O PB17040 [1,0,0,0,0,0|1,0,0]=2 125 B10R1.13 c1cc(ncc1Cl)C(=O)O AB17962 [1,0,0,0,0,0|2,0,0]=3 126 B10R1.13 c1cc(ncc1F)C(=O)O AB17969 [1,0,0,0,0,0|2,0,0]=3 127 B10R1.13 c1cc(ncc1N)C(=O)O AB12645 [1,0,0,0,0,0|2,0,0]=3 128 B10R1.13 c1cc(ncc1O)C(=O)N MB11444 [1,0,0,0,0,0|2,0,0]=3 129 B10R1.13 c1cc(ncc1O)C(=O)O PB26027 [1,0,0,0,0,0|1,0,0]=2 130 B10R1.13 c1cc(nnc1C(=O)O)Cl PB27458 [1,0,0,0,0,0|3,0,0]=4 131 B10R1.13 c1cc(nnc1C(=O)O)N PB30836 [1,0,0,0,0,0|3,0,0]=4 132 B10R1.13 c1cc(nnc1C(=O)O)O PB20339 [1,0,0,0,0,0|2,0,0]=3 133 B10R1.15 CCC(=O)c1ccccn1 AB01373 [1,0,0,0,0,0|2,0,0]=3 134 B10R1.15 CCC(=O)c1cnccn1 PB23991 [1,0,0,0,0,0|3,0,0]=4 135 B10R1.15 CNC(=O)c1cnccn1 AB70331 [1,0,0,0,0,0|3,0,0]=4 136 B10R1.15 COC(=N)c1cnccn1 AB61004 [1,0,0,0,0,0|3,0,0]=4 137 B10R1.15 COC(=O)c1cccnn1 PB28168 [1,0,0,0,0,0|2,0,0]=3 138 B10R1.15 COC(=O)c1ccncn1 PB15680 [1,0,0,0,0,0|2,0,0]=3 139 B10R1.15 COC(=O)c1ccnnc1 PB31452 [1,0,0,0,0,0|2,0,0]=3 140 B10R1.15 COC(=O)c1cncnc1 PB15822 [1,0,0,0,0,0|2,0,0]=3 141 B10R1.15 COC(=O)c1ncccn1 PB20045 [1,0,0,0,0,0|2,0,0]=3 142 B10R1.15 c1cc(cnc1)C(=O)C=O AB62325 [1,0,0,0,0,0|3,0,0]=4 143 B10R1.15 c1cc(cnc1)C(=O)CBr AB02174 [1,0,0,0,0,0|3,0,0]=4 144 B10R1.15 c1cc(cnc1)C(=O)CBr AB44461 [1,0,0,0,0,0|3,0,0]=4 145 B10R1.15 c1cc(cnc1)C(=O)CCl MB06839 [1,0,0,0,0,0|3,0,0]=4 146 B10R1.15 c1ccc(cc1)C(=O)C=O AB00817 [1,0,0,0,0,0|2,0,0]=3 147 B10R1.15 c1ccc(cc1)C(=O)C=O AB03966 [1,0,0,0,0,0|2,0,0]=3 148 B10R1.15 c1ccc(cc1)C(=O)NN AB00887 [1,0,0,0,0,0|2,0,0]=3 149 B10R1.15 c1ccnc(c1)C(=O)C=O AB62330 [1,0,0,0,0,0|3,0,0]=4 150 B10R1.15 c1ccnc(c1)C(=O)CBr AB23665 [1,0,0,0,0,0|3,0,0]=4 151 B10R1.15 c1cnccc1C(=O)C=O AB62328 [1,0,0,0,0,0|3,0,0]=4 152 B10R1.15 c1cnccc1C(=O)CBr AB12154 [1,0,0,0,0,0|3,0,0]=4 153 B12R1.5 CCc1ccc(cc1)C(=O)C=O AB48659 [0,1,0,0,0,0|3,0,0]=4 154 B12R1.5 COC(=N)c1ccc(cc1)C=O AB60994 [0,1,0,0,0,0|1,0,1]=3 155 B12R1.5 COC(=O)c1ccc(cc1)C#C AB04259 [0,1,0,0,0,0|1,0,0]=2 156 B12R1.5 COC(=O)c1ccc(cn1)C#C AB69053 [0,1,0,0,0,0|2,0,0]=3 157 B12R1.5 COC(=O)c1ccc(cn1)C=O AB63118 [0,1,0,0,0,0|1,0,1]=3 158 B12R1.5 COC(=O)c1ccc(cn1)CBr AB31485 [0,1,0,0,0,0|2,0,0]=3 159 B12R1.5 COC(=O)c1ccc(nc1)C=O AB44523 [0,1,0,0,0,0|1,0,1]=3 160 B12R1.5 COC(=O)c1ccc(nc1)CBr AB56164 [0,1,0,0,0,0|2,0,0]=3 161 B12R1.5 COC(=O)c1ccc(nc1)CCl AB06109 [0,1,0,0,0,0|2,0,0]=3 162 B12R1.5 COC(=O)c1ccc(nc1)CO AB06608 [0,1,0,0,0,0|1,0,0]=2 163 B12R1.5 COC(=O)c1ccc(nn1)NN PB15260 [0,1,0,0,0,0|3,0,0]=4 164 B12R1.5 COC(=O)c1cnc(cn1)C=O AB65854 [0,1,0,0,0,0|2,0,1]=4 165 B12R1.5 COC(=O)c1cnc(nc1)C#C AB69147 [0,1,0,0,0,0|3,0,0]=4 166 B12R1.5 COC(=O)c1cnc(nc1)CCl AB58933 [0,1,0,0,0,0|3,0,0]=4 167 B12R1.5 COC(=O)c1cnc(nc1)SC PB24623 [0,1,0,0,0,0|2,1,0]=4 168 B12R1.5 COC(=O)c1ncc(cn1)C#C AB69125 [0,1,0,0,0,0|3,0,0]=4 169 B12R1.5 COc1ccc(cc1)C(=N)OC AB04684 [0,1,0,0,0,0|1,0,0]=2 170 B12R1.5 COc1ccc(cc1)C(=O)C#N MB03942 [0,1,0,0,0,0|2,0,0]=3 171 B12R1.5 COc1ccc(cc1)C(=O)C=O AB05250 [0,1,0,0,0,0|2,0,0]=3 172 B12R1.5 COc1ccc(cc1)C(=O)C=O AB05286 [0,1,0,0,0,0|2,0,0]=3 173 B12R1.5 COc1ccc(cn1)C(=O)OC PB33918 [0,1,0,0,0,0|1,0,0]=2 174 B12R1.5 COc1ccc(nc1)C(=O)OC PB10973 [0,1,0,0,0,0|1,0,0]=2 175 B12R1.5 CSc1ccc(cc1)C(=O)C=O AB48690 [0,1,0,0,0,0|2,1,0]=4 176 B12R1.5 c1cc(ccc1C#N)C(=O)C=O AB14104 [0,1,0,0,0,0|3,0,0]=4 177 B12R1.5 c1cc(ccc1C#N)C(=O)C=O AB44430 [0,1,0,0,0,0|3,0,0]=4 178 B12R1.5 c1cc(ccc1CN)C(=O)C=O AB23361 [0,1,0,0,0,0|3,0,0]=4 179 B12R1.9 CNS(=O)(=O)c1ccc(cc1)Br AB07914 [0,1,0,0,0,0|3,0,0]=4 180 B12R1.16 CCNC(=O)c1ccc(cc1)O AB63728 [0,1,0,0,0,0|1,0,0]=2 181 B12R1.16 CCOC(=O)c1ccc(cn1)Br MB01029 [0,1,0,0,0,0|2,0,0]=3 182 B12R1.16 CCOC(=O)c1ccc(nc1)C PB19876 [0,1,0,0,0,0|2,0,0]=3 183 B12R1.16 CCOC(=O)c1ccc(nc1)N AB21186 [0,1,0,0,0,0|2,0,0]=3 184 B12R1.16 CCOC(=O)c1cnc(nc1)C PB32795 [0,1,0,0,0,0|3,0,0]=4 185 B12R1.16 CCOC(=O)c1cnc(nc1)Cl AB53770 [0,1,0,0,0,0|3,0,0]=4 186 B12R1.16 CCOC(=O)c1cnc(nc1)N AB17890 [0,1,0,0,0,0|3,0,0]=4 187 B12R1.16 CCOS(=O)c1ccc(cc1)Cl AB45706 [0,1,0,0,0,0|2,0,0]=3 188 B12R1.16 c1cc(ccc1C(=O)CC#N)Br AB07931 [0,1,0,0,0,0|2,0,1]=4 189 B12R1.16 c1cc(ccc1C(=O)CC#N)I AB18118 [0,1,0,0,0,0|2,0,1]=4 190 B12R1.20 CN(C)C(=O)c1ccc(cc1)O MB01715 [0,1,0,0,0,0|1,0,0]=2 191 B12R1.20 CN(C)C(=O)c1ccc(cn1)O MB24451 [0,1,0,0,0,0|2,0,0]=3 192 B12R1.20 CN(C)C(=O)c1ccc(nc1)Br MB14271 [0,1,0,0,0,0|3,0,0]=4 193 B12R1.20 C[C@H]([C@H](c1ccc(cc1)O)O)N MB00597 [0,1,0,0,0,0|1,0,2]=4 194 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)O MB09386 [0,1,0,0,0,0|1,0,0]=2 195 B12R1.367 CNC(=O)c1ccc(c(c1)F)O MB25391 [0,1,0,0,0,0|1,0,0]=2 196 B12R1.367 CNC(=O)c1ccc(c(c1)I)O MB25392 [0,1,0,0,0,0|1,0,0]=2 197 B12R1.367 CNC(=O)c1ccc(c(c1)N)O MB35206 [0,1,0,0,0,0|1,0,0]=2 198 B12R1.367 CNC(=O)c1ccc(c(c1)O)Br MB35713 [0,1,0,0,0,0|2,0,0]=3 199 B12R1.367 CNC(=O)c1ccc(c(c1)O)Cl MB32480 [0,1,0,0,0,0|2,0,0]=3 200 B12R1.367 CNC(=O)c1ccc(c(c1)O)F MB25339 [0,1,0,0,0,0|2,0,0]=3 201 B12R1.367 CNC(=O)c1ccc(c(c1)O)I MB25347 [0,1,0,0,0,0|2,0,0]=3 202 B12R1.367 CNC(=O)c1ccc(c(c1)O)N MB25356 [0,1,0,0,0,0|2,0,0]=3 203 B12R1.367 COC(=O)c1cc(c(cn1)F)N AB73600 [0,1,0,0,0,0|2,0,0]=3 204 B12R1.367 COC(=O)c1cc(c(cn1)O)O PB34753 [0,1,0,0,0,0|1,0,0]=2 205 B12R1.367 COC(=O)c1cc(c(nc1)Cl)N AB11451 [0,1,0,0,0,0|2,0,0]=3 206 B12R1.367 COC(=O)c1cc(c(nc1)I)N AB73548 [0,1,0,0,0,0|2,0,0]=3 207 B12R1.367 COC(=O)c1cc(c(nc1)N)Br AB25976 [0,1,0,0,0,0|2,0,0]=3 208 B12R1.367 COC(=O)c1cc(c(nc1)N)Cl AB66518 [0,1,0,0,0,0|2,0,0]=3 209 B12R1.367 COC(=O)c1cc(c(nc1)N)F AB73570 [0,1,0,0,0,0|2,0,0]=3 210 B12R1.367 COC(=O)c1cc(c(nc1)N)N AB64509 [0,1,0,0,0,0|2,0,0]=3 211 B12R1.367 COC(=O)c1cc(c(nc1)N)O AB73573 [0,1,0,0,0,0|2,0,0]=3 212 B12R1.367 COC(=O)c1cc(c(nc1)O)N AB63058 [0,1,0,0,0,0|1,0,0]=2 213 B12R1.367 COC(=O)c1cc(c(nc1)O)O PB37505 [0,1,0,0,0,0|1,0,0]=2 214 B12R1.367 COC(=O)c1ccc(c(c1)Br)F AB21248 [0,1,0,0,0,0|1,0,0]=2 215 B12R1.367 COC(=O)c1ccc(c(c1)N)Br CB10400 [0,1,0,0,0,0|1,0,0]=2 216 B12R1.367 COC(=O)c1ccc(c(c1)N)Cl AB15542 [0,1,0,0,0,0|1,0,0]=2 217 B12R1.367 COC(=O)c1ccc(c(c1)O)Br AB43030 [0,1,0,0,0,0|1,0,0]=2 218 B12R1.367 COC(=O)c1ccc(c(c1)O)Cl AB64117 [0,1,0,0,0,0|1,0,0]=2 219 B12R1.367 COC(=O)c1ccc(c(n1)N)Cl AB73568 [0,1,0,0,0,0|2,0,0]=3 220 B12R1.367 COC(=O)c1ccc(c(n1)N)N AB60256 [0,1,0,0,0,0|2,0,0]=3 221 B12R1.367 COC(=O)c1ccc(c(n1)O)O PB20416 [0,1,0,0,0,0|1,0,0]=2 222 B12R1.367 COC(=O)c1cnc(c(n1)Br)N PB34445 [0,1,0,0,0,0|3,0,0]=4 223 B12R1.367 COC(=O)c1cnc(c(n1)I)N PB33717 [0,1,0,0,0,0|3,0,0]=4 224 B12R1.367 Cc1cc(ccc1Cl)C(=O)C=O AB45361 [0,1,0,0,0,0|3,0,0]=4 225 B12R1.367 Cc1cc(ccc1F)C(=O)C=O AB45373 [0,1,0,0,0,0|3,0,0]=4 226 B12R1.367 Cc1cc(ccc1O)C(=O)NC MB25368 [0,1,0,0,0,0|1,0,0]=2 227 B12R1.367 Cc1cc(cnc1N)C(=O)OC AB66393 [0,1,0,0,0,0|2,0,0]=3 228 B12R1.367 Cc1cc(ncc1Br)C(=O)OC AB41177 [0,1,0,0,0,0|2,0,0]=3 229 B12R1.367 Cc1cc(ncc1Cl)C(=O)OC AB72092 [0,1,0,0,0,0|2,0,0]=3 230 B12R1.367 Cc1cc(ncc1N)C(=O)OC PB11380 [0,1,0,0,0,0|2,0,0]=3 231 B12R1.367 Cc1ccc(cc1F)C(=O)OC AB23209 [0,1,0,0,0,0|1,0,0]=2 232 B12R1.367 Cc1ccc(cc1O)C(=O)NC AB63536 [0,1,0,0,0,0|2,0,0]=3 233 B12R1.367 Cc1ccc(cc1O)C(=O)OC AB04849 [0,1,0,0,0,0|1,0,0]=2 234 B12R1.367 Cc1ccc(nc1N)C(=O)OC AB73564 [0,1,0,0,0,0|2,0,0]=3 235 B12R1.367 Cc1cnc(cc1N)C(=O)OC AB73592 [0,1,0,0,0,0|2,0,0]=3 236 B12R1.367 Cn1cc(ccc1=O)C(=O)OC PB10057 [0,1,0,0,0,0|1,0,1]=3 237 B12R1.367 Cn1ccc(cc1=O)C(=O)OC PB27549 [0,1,0,0,0,0|2,0,0]=3 238 B12R1.367 c1cc(c(cc1C(=O)C=O)Cl)Cl AB48679 [0,1,0,0,0,0|3,0,0]=4 239 B12R1.367 c1cc(c(cc1C(=O)C=O)F)F AB15499 [0,1,0,0,0,0|3,0,0]=4 240 B12R1.367 c1cc(c(cc1C(=O)NN)N)O AB01234 [0,1,0,0,0,0|2,0,0]=3 241 B12R1.1703 CCC(=O)c1ccc(cc1F)Br MB09679 [0,1,0,0,0,0|2,0,0]=3 242 B12R1.1703 CNC(=O)c1ccc(cc1Br)O MB30771 [0,1,0,0,0,0|1,0,0]=2 243 B12R1.1703 CNC(=O)c1ccc(cc1Cl)O MB37760 [0,1,0,0,0,0|1,0,0]=2 244 B12R1.1703 CNC(=O)c1ccc(cc1F)O MB34809 [0,1,0,0,0,0|1,0,0]=2 245 B12R1.1703 CNC(=O)c1ccc(cc1I)O MB34084 [0,1,0,0,0,0|1,0,0]=2 246 B12R1.1703 CNC(=O)c1ccc(cc1N)Br AB65732 [0,1,0,0,0,0|2,0,0]=3 247 B12R1.1703 CNC(=O)c1ccc(cc1N)Cl AB49593 [0,1,0,0,0,0|2,0,0]=3 248 B12R1.1703 CNC(=O)c1ccc(cc1N)O MB30252 [0,1,0,0,0,0|1,0,0]=2 249 B12R1.1703 CNC(=O)c1ccc(cc1O)Br MB14847 [0,1,0,0,0,0|2,0,0]=3 250 B12R1.1703 CNC(=O)c1ccc(cc1O)Cl MB09389 [0,1,0,0,0,0|2,0,0]=3 251 B12R1.1703 CNC(=O)c1ccc(cc1O)F MB25343 [0,1,0,0,0,0|2,0,0]=3 252 B12R1.1703 CNC(=O)c1ccc(cc1O)I MB25350 [0,1,0,0,0,0|2,0,0]=3 253 B12R1.1703 CNC(=O)c1ccc(cc1O)N MB25357 [0,1,0,0,0,0|2,0,0]=3 254 B12R1.1703 COC(=O)c1c(cc(cn1)Br)N PB33334 [0,1,0,0,0,0|2,0,0]=3 255 B12R1.1703 COC(=O)c1c(cc(nn1)Cl)Cl AB55529 [0,1,0,0,0,0|3,0,0]=4 256 B12R1.1703 COC(=O)c1c(cc(nn1)O)O AB55526 [0,1,0,0,0,0|2,0,0]=3 257 B12R1.1703 COC(=O)c1c(nc(cn1)Cl)Cl AB55524 [0,1,0,0,0,0|3,0,0]=4 258 B12R1.1703 COC(=O)c1c(nc(cn1)Cl)N AB62862 [0,1,0,0,0,0|3,0,0]=4 259 B12R1.1703 COC(=O)c1c(nc(cn1)N)N AB64401 [0,1,0,0,0,0|3,0,0]=4 260 B12R1.1703 COC(=O)c1c(nc(cn1)O)N AB64394 [0,1,0,0,0,0|2,0,0]=3 261 B12R1.1703 COC(=O)c1ccc(cc1Br)F AB23216 [0,1,0,0,0,0|1,0,0]=2 262 B12R1.1703 COC(=O)c1ccc(cc1Cl)F PB10114 [0,1,0,0,0,0|1,0,0]=2 263 B12R1.1703 COC(=O)c1ccc(nc1Br)N AB73582 [0,1,0,0,0,0|2,0,0]=3 264 B12R1.1703 COC(=O)c1ccc(nc1Cl)N AB70592 [0,1,0,0,0,0|2,0,0]=3 265 B12R1.1703 COC(=O)c1ccc(nc1F)F AB48567 [0,1,0,0,0,0|2,0,0]=3 266 B12R1.1703 COC(=O)c1ccc(nc1N)Cl PB30193 [0,1,0,0,0,0|2,0,0]=3 267 B12R1.1703 COC(=O)c1cnc(cc1Br)N AB73580 [0,1,0,0,0,0|2,0,0]=3 268 B12R1.1703 COC(=O)c1cnc(cc1Cl)Cl PB23404 [0,1,0,0,0,0|2,0,0]=3 269 B12R1.1703 COC(=O)c1cnc(cc1Cl)N AB73574 [0,1,0,0,0,0|2,0,0]=3 270 B12R1.1703 COC(=O)c1cnc(nc1Cl)Cl AB55091 [0,1,0,0,0,0|3,0,0]=4 271 B12R1.1703 COC(=O)c1cnc(nc1N)Cl AB70540 [0,1,0,0,0,0|3,0,0]=4 272 B12R1.1703 Cc1c(ccc(n1)N)C(=O)OC AB43431 [0,1,0,0,0,0|2,0,0]=3 273 B12R1.1703 Cc1c(ccc(n1)O)C(=O)OC AB64410 [0,1,0,0,0,0|1,0,0]=2 274 B12R1.1703 Cc1c(ncc(n1)Br)C(=O)OC AB85711 [0,1,0,0,0,0|3,0,0]=4 275 B12R1.1703 Cc1c(ncc(n1)Cl)C(=O)OC AB85680 [0,1,0,0,0,0|3,0,0]=4 276 B12R1.1703 Cc1cc(c(cn1)C(=O)OC)Br AB40710 [0,1,0,0,0,0|2,0,0]=3 277 B12R1.1703 Cc1cc(c(cn1)C(=O)OC)Cl AB40714 [0,1,0,0,0,0|2,0,0]=3 278 B12R1.1703 Cc1cc(ccc1C(=O)OC)Br AB55602 [0,1,0,0,0,0|1,0,0]=2 279 B12R1.1703 Cc1cc(cnc1C(=O)OC)Br AB41229 [0,1,0,0,0,0|2,0,0]=3 280 B12R1.1703 Cc1cc(cnc1C(=O)OC)Cl AB41234 [0,1,0,0,0,0|2,0,0]=3 281 B12R1.1703 Cc1ccc(c(c1)Br)C(=O)OC AB16571 [0,1,0,0,0,0|1,0,0]=2 282 B12R1.1703 Cc1ccc(c(c1)O)C(=O)NC MB09401 [0,1,0,0,0,0|2,0,0]=3 283 B12R1.1703 Cc1ccc(c(n1)O)C(=O)OC AB55505 [0,1,0,0,0,0|2,0,0]=3 284 B12R1.1703 Cc1cnc(c(n1)Cl)C(=O)OC AB60387 [0,1,0,0,0,0|3,0,0]=4 285 B12R1.1703 Cc1ncc(c(n1)N)C(=O)OC AB76360 [0,1,0,0,0,0|3,0,0]=4 286 B12R1.1703 c1cc(c(cc1Cl)Cl)C(=O)CN CB10300 [0,1,0,0,0,0|3,0,0]=4 287 B12R1.1703 c1cc(c(cc1F)F)C(=O)C=O AB14112 [0,1,0,0,0,0|3,0,0]=4 288 B12R1.1703 c1cc(c(cc1O)O)C(=O)CBr AB16102 [0,1,0,0,0,0|2,0,0]=3 289 B12R2.612 B1(c2ccc(cc2CO1)F)O MB08883 [0,0,0,1,0,0|2,0,1]=4 290 B12R2.612 Cc1cc2c(cn1)C(=O)NC2 AB76264 [0,0,0,1,0,0|3,0,0]=4 291 B12R2.612 Cc1ccc2c(c1)CNC2=O MB07070 [0,0,0,1,0,0|2,0,0]=3 292 B12R2.612 c1c2c(cnc1Br)C(=O)NC2 AB77325 [0,0,0,1,0,0|3,0,0]=4 293 B12R2.612 c1c2c(cnc1Cl)C(=O)NC2 AB77327 [0,0,0,1,0,0|3,0,0]=4 294 B12R2.612 c1c2c(cnc1Cl)C(=O)OC2 PB27327 [0,0,0,1,0,0|2,0,0]=3 295 B12R2.612 c1cc(nc2c1C(=O)CC2)Br AB70085 [0,0,0,1,0,0|3,0,0]=4 296 B12R2.612 c1cc(nc2c1C(=O)CC2)Cl AB64289 [0,0,0,1,0,0|3,0,0]=4 297 B12R2.612 c1cc2c(cc1Br)CNC2=O PB29649 [0,0,0,1,0,0|2,0,0]=3 298 B12R2.612 c1cc2c(cc1Br)OCC2=O AB45183 [0,0,0,1,0,0|3,0,0]=4 299 B12R2.612 c1cc2c(cc1Cl)CCC2=O AB01874 [0,0,0,1,0,0|2,0,0]=3 300 B12R2.612 c1cc2c(cc1Cl)CNC2=O MB05670 [0,0,0,1,0,0|2,0,0]=3 301 B12R2.612 c1cc2c(cc1Cl)N=NC2=O AB60847 [0,0,0,1,0,0|3,0,0]=4 302 B12R2.612 c1cc2c(cc1Cl)OCC2=O AB27747 [0,0,0,1,0,0|3,0,0]=4 303 B12R2.612 c1cc2c(cc1F)CCC2=O AB01853 [0,0,0,1,0,0|2,0,0]=3 304 B12R2.612 c1cc2c(cc1F)CNC2=O AB71859 [0,0,0,1,0,0|2,0,0]=3 305 B12R2.612 c1cc2c(cc1F)OCC2=O AB51227 [0,0,0,1,0,0|3,0,0]=4 306 B12R2.612 c1cc2c(cc1I)CCC2=O MB07544 [0,0,0,1,0,0|2,0,0]=3 307 B12R2.612 c1cc2c(cc1N)CNC2=O PB14793 [0,0,0,1,0,0|2,0,0]=3 308 B12R2.612 c1cc2c(cc1O)CC[C@H]2N AB43048 [0,0,0,1,0,0|2,0,1]=4 309 B12R2.612 c1cc2c(cc1O)CNC2=O AB56006 [0,0,0,1,0,0|1,0,0]=2 310 B10R1.14 COC(=O)C1=NC(=CC1)Br MB07693 [0,0,0,0,1,0|2,0,1]=4 311 B10R1.14 COC(=O)C1=NC=C(C1)Br PB29127 [0,0,0,0,1,0|2,0,1]=4 312 B10R1.14 COC(=O)c1cc(cs1)Br PB18709 [0,0,0,0,1,0|2,0,0]=3 313 B10R1.14 COC(=O)c1cc(cs1)Cl PB24460 [0,0,0,0,1,0|2,0,0]=3 314 B10R1.14 COC(=O)c1cc(sc1)Br PB21329 [0,0,0,0,1,0|2,0,0]=3 315 B10R1.14 COC(=O)c1cc(sc1)Cl PB30437 [0,0,0,0,1,0|2,0,0]=3 316 B10R1.14 COC(=O)c1ccc(s1)Br PB24794 [0,0,0,0,1,0|2,0,0]=3 317 B10R1.14 COC(=O)c1ccc(s1)Cl MB03690 [0,0,0,0,1,0|2,0,0]=3 318 B10R1.14 COC(=O)c1cnc(s1)Br AB16048 [0,0,0,0,1,0|3,0,0]=4 319 B10R1.14 COC(=O)c1cnc(s1)N AB16042 [0,0,0,0,1,0|3,0,0]=4 320 B10R1.14 COC(=O)c1csc(n1)Br AB26606 [0,0,0,0,1,0|3,0,0]=4 321 B10R1.14 COC(=O)c1csc(n1)Cl AB26609 [0,0,0,0,1,0|3,0,0]=4 322 B10R1.14 COC(=O)c1csc(n1)N AB06554 [0,0,0,0,1,0|3,0,0]=4 323 B10R1.14 COC(=O)c1nc(cs1)Br MB09382 [0,0,0,0,1,0|3,0,0]=4 324 B10R1.14 COC(=O)c1ncc(s1)Br MB14341 [0,0,0,0,1,0|3,0,0]=4 325 B10R1.14 COC(=O)c1ncc(s1)N PB39132 [0,0,0,0,1,0|3,0,0]=4 326 B10R1.14 Cc1ccc(s1)C(=O)OC AB23205 [0,0,0,0,1,0|2,0,0]=3 327 B10R1.14 Cc1cnc(o1)C(=O)OC AB53495 [0,0,0,0,1,0|3,0,0]=4 328 B10R1.14 Cc1cnc(s1)C(=O)OC AB10517 [0,0,0,0,1,0|3,0,0]=4 329 B10R1.14 Cc1csc(n1)C(=O)OC AB44701 [0,0,0,0,1,0|3,0,0]=4 330 B10R1.14 Cc1nc(co1)C(=O)OC AB13936 [0,0,0,0,1,0|3,0,0]=4 331 B10R1.14 Cc1ncc(o1)C(=O)OC AB27653 [0,0,0,0,1,0|3,0,0]=4 332 B12R1.49 COC(=N)Cc1ccc(cc1)Br AB60928 [0,0,0,0,0,1|2,0,0]=3 333 B12R1.49 COC(=N)Cc1ccc(cc1)Cl AB60925 [0,0,0,0,0,1|2,0,0]=3 334 B12R1.49 COC(=N)Cc1ccc(cc1)F AB60924 [0,0,0,0,0,1|2,0,0]=3 335 B12R1.49 COC(=O)Cc1ccc(cc1)Br PB24610 [0,0,0,0,0,1|1,0,0]=2 336 B12R1.49 COC(=O)Cc1ncc(cn1)Br PB24257 [0,0,0,0,0,1|3,0,0]=4 337 B12R1.49 COC(=O)Nc1ccc(cn1)Br MB01437 [0,0,0,0,0,1|2,0,0]=3 338 B12R1.49 COC(=O)Nc1ccc(nc1)Br MB14348 [0,0,0,0,0,1|2,0,0]=3 339 B12R1.49 COC(=O)Nc1cnc(cn1)Br MB14334 [0,0,0,0,0,1|3,0,0]=4 340 B12R1.49 Cc1ccc(cc1)CC(=N)OC AB60933 [0,0,0,0,0,1|2,0,0]=3 341 B9R1.1 CCc1ccc(cn1)O MB03842 [2,0,0,0,0,0|1,0,1]=4 342 B9R1.1 CNc1ccc(cn1)O AB69733 [2,0,0,0,0,0|2,0,0]=4 343 B9R1.1 COc1cc[n+](cc1)[O-] AB00619 [2,0,0,0,0,0|1,0,1]=4 344 B9R1.1 COc1ccc(cn1)Br AB08771 [2,0,0,0,0,0|2,0,0]=4 345 B9R1.1 COc1ccc(cn1)Cl AB23682 [2,0,0,0,0,0|2,0,0]=4 346 B9R1.1 COc1ccc(cn1)F AB13611 [2,0,0,0,0,0|2,0,0]=4 347 B9R1.1 COc1ccc(cn1)N PB27370 [2,0,0,0,0,0|2,0,0]=4 348 B9R1.1 COc1ccc(cn1)O CB10969 [2,0,0,0,0,0|1,0,0]=3 349 B9R1.1 COc1ccc(nc1)Br PB22062 [2,0,0,0,0,0|2,0,0]=4 350 B9R1.1 COc1ccc(nc1)Cl AB25956 [2,0,0,0,0,0|2,0,0]=4 351 B9R1.1 COc1ccc(nc1)F AB66773 [2,0,0,0,0,0|2,0,0]=4 352 B9R1.1 COc1ccc(nc1)I AB11726 [2,0,0,0,0,0|2,0,0]=4 353 B9R1.1 COc1ccc(nc1)N PB14487 [2,0,0,0,0,0|2,0,0]=4 354 B9R1.1 COc1ncc(cn1)O AB58606 [2,0,0,0,0,0|2,0,0]=4 355 B9R1.1 CSc1ccc(cn1)O MB25590 [2,0,0,0,0,0|1,1,0]=4 356 B9R1.1 Cc1ccc(cn1)C=O PB17503 [2,0,0,0,0,0|2,0,0]=4 357 B9R1.1 Cc1ccc(cn1)OC AB52739 [2,0,0,0,0,0|2,0,0]=4 358 B9R1.1 Cc1ccc(nc1)C=O AB31466 [2,0,0,0,0,0|2,0,0]=4 359 B9R1.1 c1c(cnc(n1)C=O)O AB59744 [2,0,0,0,0,0|2,0,0]=4 360 B9R1.1 c1c(cnc(n1)O)C=O AB58472 [2,0,0,0,0,0|2,0,0]=4 361 B9R1.1 c1cc(ccc1CI)O MB06957 [2,0,0,0,0,0|1,0,1]=4 362 B9R1.1 c1cc(ccc1CN)O AB11678 [2,0,0,0,0,0|1,0,1]=4 363 B9R1.1 c1cc(ncc1Br)C=O PB30785 [2,0,0,0,0,0|2,0,0]=4 364 B9R1.1 c1cc(ncc1C=O)Br PB27654 [2,0,0,0,0,0|2,0,0]=4 365 B9R1.1 c1cc(ncc1C=O)Cl PB18586 [2,0,0,0,0,0|2,0,0]=4 366 B9R1.1 c1cc(ncc1C=O)F PB23560 [2,0,0,0,0,0|2,0,0]=4 367 B9R1.1 c1cc(ncc1C=O)N PB19003 [2,0,0,0,0,0|2,0,0]=4 368 B9R1.1 c1cc(ncc1Cl)C=O AB44880 [2,0,0,0,0,0|2,0,0]=4 369 B9R1.1 c1cc(ncc1F)C=O AB42648 [2,0,0,0,0,0|2,0,0]=4 370 B9R1.1 c1cc(ncc1N)C=O AB67740 [2,0,0,0,0,0|2,0,0]=4 371 B9R1.1 c1cc(ncc1O)C=O AB59867 [2,0,0,0,0,0|1,0,0]=3 372 B9R1.8 c1ccc(cc1)\C=C\Br AB00116 [2,0,0,0,0,0|2,0,0]=4 373 B9R1.8 c1ccc(cc1)\C=N/O AB02488 [2,0,0,0,0,0|2,0,0]=4 374 B9R1.6 CC(=O)c1ccccn1 AB00686 [2,0,0,0,0,0|1,0,0]=3 375 B9R1.6 CC(=O)c1cccnc1 AB00750 [2,0,0,0,0,0|1,0,0]=3 376 B9R1.6 CC(=O)c1cccnn1 PB16551 [2,0,0,0,0,0|2,0,0]=4 377 B9R1.6 CC(=O)c1ccncc1 AB00760 [2,0,0,0,0,0|1,0,0]=3 378 B9R1.6 CC(=O)c1ccncn1 PB17606 [2,0,0,0,0,0|2,0,0]=4 379 B9R1.6 CC(=O)c1ccnnc1 PB26895 [2,0,0,0,0,0|2,0,0]=4 380 B9R1.6 CC(=O)c1cnccn1 AB00602 [2,0,0,0,0,0|2,0,0]=4 381 B9R1.6 CC(=O)c1cncnc1 PB20327 [2,0,0,0,0,0|2,0,0]=4 382 B9R1.6 CC(=O)c1ncccn1 PB34295 [2,0,0,0,0,0|2,0,0]=4 383 B9R1.6 CC(c1ccccc1)Cl AB01249 [2,0,0,0,0,0|1,0,1]=4 384 B9R1.6 c1c(cncn1)C(=O)O PB23195 [2,0,0,0,0,0|2,0,0]=4 385 B9R1.6 c1cc(nnc1)C(=O)O PB21767 [2,0,0,0,0,0|2,0,0]=4 386 B9R1.6 c1ccc(cc1)C(=N)N AB01943 [2,0,0,0,0,0|2,0,0]=4 387 B9R1.6 c1ccnc(c1)C(=O)O AB00685 [2,0,0,0,0,0|1,0,0]=3 388 B9R1.6 c1cnc(cn1)C(=O)O PB27363 [2,0,0,0,0,0|2,0,0]=4 389 B9R1.6 c1cnc(nc1)C(=O)O PB18516 [2,0,0,0,0,0|2,0,0]=4 390 B9R1.6 c1cnccc1C(=O)O AB00757 [2,0,0,0,0,0|1,0,0]=3 391 B9R1.6 c1cncnc1C(=O)O PB29023 [2,0,0,0,0,0|2,0,0]=4 392 B9R1.6 c1cnncc1C(=O)O PB17054 [2,0,0,0,0,0|2,0,0]=4 393 B11R1.1 c1cc(ccc1CCCN)O AB07598 [1,1,0,0,0,0|1,0,1]=4 394 B11R1.20 CC(C)Oc1ccc(cc1)O MB06553 [1,1,0,0,0,0|2,0,0]=4 395 B11R1.83 COc1ccc(cc1)\C=C\Br AB06149 [1,1,0,0,0,0|2,0,0]=4 396 B11R1.3 B(=O)c1ccc(cc1)C(=O)Cl AB30049 [1,1,0,0,0,0|1,0,1]=4 397 B11R1.3 B(c1ccc(cc1)CO)(O)O AB07121 [1,1,0,0,0,0|1,0,1]=4 398 B11R1.3 B(c1ccc(cc1)OC)(O)O AB01770 [1,1,0,0,0,0|1,0,1]=4 399 B11R1.3 CC(=O)c1ccc(cc1)C#C AB21444 [1,1,0,0,0,0|1,0,0]=3 400 B11R1.3 CC(=O)c1ccc(cn1)C#N AB67713 [1,1,0,0,0,0|2,0,0]=4 401 B11R1.3 CC(=O)c1ccc(cn1)OC PB14835 [1,1,0,0,0,0|1,0,0]=3 402 B11R1.3 CC(=O)c1ccc(nc1)C#N AB25372 [1,1,0,0,0,0|2,0,0]=4 403 B11R1.3 CC(=O)c1ccc(nc1)OC AB22367 [1,1,0,0,0,0|1,0,0]=3 404 B11R1.3 CC(=O)c1ccc(nn1)OC AB70140 [1,1,0,0,0,0|2,0,0]=4 405 B11R1.3 CC(=O)c1cnc(cn1)OC AB69890 [1,1,0,0,0,0|2,0,0]=4 406 B11R1.3 CN(C)c1ccc(cc1)CO AB16431 [1,1,0,0,0,0|2,0,0]=4 407 B11R1.3 COc1ccc(cc1)C(=N)N AB06258 [1,1,0,0,0,0|2,0,0]=4 408 B11R1.3 COc1ccc(cc1)C(=O)N AB00908 [1,1,0,0,0,0|1,0,0]=3 409 B11R1.3 COc1ccc(cc1)C(=S)N AB01847 [1,1,0,0,0,0|1,1,0]=4 410 B11R1.3 COc1ccc(cn1)C(=O)O PB30805 [1,1,0,0,0,0|1,0,0]=3 411 B11R1.3 COc1ccc(nc1)C(=O)O PB17398 [1,1,0,0,0,0|1,0,0]=3 412 B11R1.3 COc1ccc(nn1)C(=O)O AB52589 [1,1,0,0,0,0|2,0,0]=4 413 B11R1.3 COc1cnc(cn1)C(=O)O AB60459 [1,1,0,0,0,0|2,0,0]=4 414 B11R1.3 COc1ncc(cn1)C(=O)O AB43547 [1,1,0,0,0,0|2,0,0]=4 415 B11R1.3 c1cc(ncc1C#N)C(=O)O AB49711 [1,1,0,0,0,0|2,0,0]=4 416 B11R1.3 c1cc(ncc1C(=O)O)C#N AB08639 [1,1,0,0,0,0|2,0,0]=4 417 B11R1.3 c1cc(ncc1C(=O)O)CN AB23462 [1,1,0,0,0,0|2,0,0]=4 418 B11R1.3 c1cc(ncc1C(=O)O)NN PB27614 [1,1,0,0,0,0|2,0,0]=4 419 B11R1.3 c1cc(ncc1C=O)C(=O)O AB63121 [1,1,0,0,0,0|1,0,1]=4 420 B11R1.19 CS(=O)(=O)c1ccc(cc1)Br AB01453 [1,1,0,0,0,0|2,0,0]=4 421 B11R1.19 CS(=O)(=O)c1ccc(cc1)I AB07768 [1,1,0,0,0,0|2,0,0]=4 422 B11R1.19 CS(=O)(=O)c1ccc(cc1)N AB01467 [1,1,0,0,0,0|2,0,0]=4 423 B11R1.19 CS(=O)(=O)c1ccc(cc1)O AB02067 [1,1,0,0,0,0|1,0,0]=3 424 B11R1.21 B(c1ccc(c(c1)F)O)(O)O AB26445 [1,1,0,0,0,0|1,0,1]=4 425 B11R1.21 CC(=O)c1cc(c(cn1)Cl)Cl AB73180 [1,1,0,0,0,0|2,0,0]=4 426 B11R1.21 CC(=O)c1cc(c(cn1)Cl)F AB82986 [1,1,0,0,0,0|2,0,0]=4 427 B11R1.21 CC(=O)c1cc(c(cn1)Cl)N AB83914 [1,1,0,0,0,0|2,0,0]=4 428 B11R1.21 CC(=O)c1cc(c(cn1)Cl)O AB75003 [1,1,0,0,0,0|2,0,0]=4 429 B11R1.21 CC(=O)c1cc(c(cn1)F)Cl AB83156 [1,1,0,0,0,0|2,0,0]=4 430 B11R1.21 CC(=O)c1cc(c(cn1)N)Cl AB83892 [1,1,0,0,0,0|2,0,0]=4 431 B11R1.21 CC(=O)c1cc(c(cn1)O)Cl AB75001 [1,1,0,0,0,0|1,0,0]=3 432 B11R1.21 CC(=O)c1cc(c(nc1)Cl)Cl AB60291 [1,1,0,0,0,0|2,0,0]=4 433 B11R1.21 CC(=O)c1cc(c(nc1)Cl)F AB74574 [1,1,0,0,0,0|2,0,0]=4 434 B11R1.21 CC(=O)c1cc(c(nc1)Cl)N AB83970 [1,1,0,0,0,0|2,0,0]=4 435 B11R1.21 CC(=O)c1cc(c(nc1)Cl)O AB74793 [1,1,0,0,0,0|2,0,0]=4 436 B11R1.21 CC(=O)c1cc(c(nc1)F)Cl AB75049 [1,1,0,0,0,0|2,0,0]=4 437 B11R1.21 CC(=O)c1cc(c(nc1)N)Cl AB74572 [1,1,0,0,0,0|2,0,0]=4 438 B11R1.21 CC(=O)c1cc(c(nc1)N)N AB60288 [1,1,0,0,0,0|2,0,0]=4 439 B11R1.21 CC(=O)c1cc(c(nc1)O)Cl AB84068 [1,1,0,0,0,0|1,0,0]=3 440 B11R1.21 CC(=O)c1ccc(c(n1)Cl)F AB75031 [1,1,0,0,0,0|2,0,0]=4 441 B11R1.21 CC(=O)c1ccc(c(n1)Cl)N AB51559 [1,1,0,0,0,0|2,0,0]=4 442 B11R1.21 CC(=O)c1ccc(c(n1)Cl)O AB74855 [1,1,0,0,0,0|1,0,0]=3 443 B11R1.21 CC(=O)c1ccc(c(n1)F)Cl AB72855 [1,1,0,0,0,0|2,0,0]=4 444 B11R1.21 CC(=O)c1ccc(c(n1)N)Cl AB83957 [1,1,0,0,0,0|2,0,0]=4 445 B11R1.21 CC(=O)c1ccc(c(n1)O)Cl AB84085 [1,1,0,0,0,0|2,0,0]=4 446 B11R1.21 CC(C)c1ccc(c(c1)Cl)O MB22550 [1,1,0,0,0,0|1,0,1]=4 447 B11R1.21 CC(C)c1ccc(c(c1)F)O MB22546 [1,1,0,0,0,0|1,0,1]=4 448 B11R1.21 CC(C)c1ccc(c(c1)I)O MB22548 [1,1,0,0,0,0|1,0,1]=4 449 B11R1.21 CN(C)c1ccc(c(c1)Br)O MB24862 [1,1,0,0,0,0|2,0,0]=4 450 B11R1.21 CN(C)c1ccc(c(c1)Cl)O MB24865 [1,1,0,0,0,0|2,0,0]=4 451 B11R1.21 CN(C)c1ccc(c(c1)F)O MB24855 [1,1,0,0,0,0|2,0,0]=4 452 B11R1.21 CN(C)c1ccc(c(c1)I)O MB24856 [1,1,0,0,0,0|2,0,0]=4 453 B11R1.21 CN(C)c1ccc(c(c1)N)O MB24858 [1,1,0,0,0,0|2,0,0]=4 454 B11R1.21 Cc1c(cc(cn1)C(=O)C)Cl AB74646 [1,1,0,0,0,0|2,0,0]=4 455 B11R1.21 Cc1c(cc(cn1)C(=O)C)F AB83026 [1,1,0,0,0,0|2,0,0]=4 456 B11R1.21 Cc1c(cc(cn1)C(=O)O)Br AB74944 [1,1,0,0,0,0|2,0,0]=4 457 B11R1.21 Cc1c(cc(cn1)C(=O)O)Cl AB74644 [1,1,0,0,0,0|2,0,0]=4 458 B11R1.21 Cc1c(cc(cn1)C(=O)O)F AB71562 [1,1,0,0,0,0|2,0,0]=4 459 B11R1.21 Cc1c(cc(cn1)C(=O)O)N PB30351 [1,1,0,0,0,0|2,0,0]=4 460 B11R1.21 Cc1c(cc(cn1)C(=O)O)O AB74651 [1,1,0,0,0,0|2,0,0]=4 461 B11R1.21 Cc1c(ccc(n1)C(=O)C)Cl AB83319 [1,1,0,0,0,0|2,0,0]=4 462 B11R1.21 Cc1c(ccc(n1)C(=O)C)F AB75156 [1,1,0,0,0,0|2,0,0]=4 463 B11R1.21 Cc1c(ccc(n1)C(=O)O)Cl AB74921 [1,1,0,0,0,0|2,0,0]=4 464 B11R1.21 Cc1c(ccc(n1)C(=O)O)F AB62793 [1,1,0,0,0,0|2,0,0]=4 465 B11R1.21 Cc1cc(ccc1O)C(=O)N MB23357 [1,1,0,0,0,0|1,0,0]=3 466 B11R1.21 Cc1cc(ccc1O)C(C)C MB22526 [1,1,0,0,0,0|1,0,1]=4 467 B11R1.21 Cc1cc(ccc1O)N(C)C MB23339 [1,1,0,0,0,0|2,0,0]=4 468 B11R1.21 Cc1cc(cnc1Br)C(=O)O AB62965 [1,1,0,0,0,0|2,0,0]=4 469 B11R1.21 Cc1cc(cnc1C)C(=O)C AB75410 [1,1,0,0,0,0|2,0,0]=4 470 B11R1.21 Cc1cc(cnc1C)C(=O)O AB66691 [1,1,0,0,0,0|2,0,0]=4 471 B11R1.21 Cc1cc(cnc1Cl)C(=O)C AB75129 [1,1,0,0,0,0|2,0,0]=4 472 B11R1.21 Cc1cc(cnc1Cl)C(=O)O AB71754 [1,1,0,0,0,0|2,0,0]=4 473 B11R1.21 Cc1cc(cnc1F)C(=O)C AB75174 [1,1,0,0,0,0|2,0,0]=4 474 B11R1.21 Cc1cc(cnc1F)C(=O)O AB42633 [1,1,0,0,0,0|2,0,0]=4 475 B11R1.21 Cc1cc(ncc1Br)C(=O)O AB41173 [1,1,0,0,0,0|2,0,0]=4 476 B11R1.21 Cc1cc(ncc1C)C(=O)C AB74626 [1,1,0,0,0,0|2,0,0]=4 477 B11R1.21 Cc1cc(ncc1C)C(=O)O AB64943 [1,1,0,0,0,0|2,0,0]=4 478 B11R1.21 Cc1cc(ncc1Cl)C(=O)C AB75107 [1,1,0,0,0,0|2,0,0]=4 479 B11R1.21 Cc1cc(ncc1Cl)C(=O)O AB41176 [1,1,0,0,0,0|2,0,0]=4 480 B11R1.21 Cc1cc(ncc1F)C(=O)O AB74791 [1,1,0,0,0,0|2,0,0]=4 481 B11R1.21 Cc1ccc(cc1O)C(=O)N AB63532 [1,1,0,0,0,0|2,0,0]=4 482 B11R1.21 Cc1ccc(nc1C)C(=O)C AB74623 [1,1,0,0,0,0|2,0,0]=4 483 B11R1.21 Cc1ccc(nc1C)C(=O)O AB62927 [1,1,0,0,0,0|2,0,0]=4 484 B11R1.21 Cc1ccc(nc1Cl)C(=O)C AB75095 [1,1,0,0,0,0|2,0,0]=4 485 B11R1.21 Cc1ccc(nc1Cl)C(=O)O AB66617 [1,1,0,0,0,0|2,0,0]=4 486 B11R1.21 Cc1ccc(nc1F)C(=O)C AB75167 [1,1,0,0,0,0|2,0,0]=4 487 B11R1.21 Cc1ccc(nc1F)C(=O)O AB72844 [1,1,0,0,0,0|2,0,0]=4 488 B11R1.21 Cc1cnc(cc1Br)C(=O)O AB70164 [1,1,0,0,0,0|2,0,0]=4 489 B11R1.21 Cc1cnc(cc1Cl)C(=O)C AB83277 [1,1,0,0,0,0|2,0,0]=4 490 B11R1.21 Cc1cnc(cc1Cl)C(=O)O AB65446 [1,1,0,0,0,0|2,0,0]=4 491 B11R1.21 Cc1cnc(cc1F)C(=O)C AB82953 [1,1,0,0,0,0|2,0,0]=4 492 B11R1.21 Cc1cnc(cc1F)C(=O)O AB74895 [1,1,0,0,0,0|2,0,0]=4 493 B11R1.21 Cn1cc(ccc1=O)C(=O)O PB21634 [1,1,0,0,0,0|1,0,1]=4 494 B11R1.21 Cn1ccc(cc1=O)C(=O)O PB32349 [1,1,0,0,0,0|2,0,0]=4 495 B11R1.21 c1c(c(cnc1C(=O)O)Br)Cl AB67645 [1,1,0,0,0,0|2,0,0]=4 496 B11R1.21 c1c(c(cnc1C(=O)O)Br)N PB21081 [1,1,0,0,0,0|2,0,0]=4 497 B11R1.21 c1c(c(cnc1C(=O)O)Cl)Cl AB63131 [1,1,0,0,0,0|2,0,0]=4 498 B11R1.21 c1c(c(cnc1C(=O)O)Cl)F AB74911 [1,1,0,0,0,0|2,0,0]=4 499 B11R1.21 c1c(c(cnc1C(=O)O)Cl)N AB75270 [1,1,0,0,0,0|2,0,0]=4 500 B11R1.21 c1c(c(cnc1C(=O)O)Cl)O AB74886 [1,1,0,0,0,0|2,0,0]=4 501 B11R1.21 c1c(c(cnc1C(=O)O)F)Cl AB67663 [1,1,0,0,0,0|2,0,0]=4 502 B11R1.21 c1c(c(cnc1C(=O)O)F)F AB73187 [1,1,0,0,0,0|2,0,0]=4 503 B11R1.21 c1c(c(cnc1C(=O)O)N)Cl AB67747 [1,1,0,0,0,0|2,0,0]=4 504 B11R1.21 c1c(c(cnc1C(=O)O)N)F AB73539 [1,1,0,0,0,0|2,0,0]=4 505 B11R1.21 c1c(c(cnc1C(=O)O)O)Cl AB67787 [1,1,0,0,0,0|1,0,0]=3 506 B11R1.21 c1c(cnc(c1Br)Cl)C(=O)O AB10529 [1,1,0,0,0,0|2,0,0]=4 507 B11R1.21 c1c(cnc(c1Cl)Cl)C(=O)O PB29008 [1,1,0,0,0,0|2,0,0]=4 508 B11R1.21 c1c(cnc(c1Cl)F)C(=O)O AB15015 [1,1,0,0,0,0|2,0,0]=4 509 B11R1.21 c1c(cnc(c1Cl)N)C(=O)O AB63730 [1,1,0,0,0,0|2,0,0]=4 510 B11R1.21 c1c(cnc(c1Cl)O)C(=O)O AB02225 [1,1,0,0,0,0|1,0,0]=3 511 B11R1.21 c1c(cnc(c1F)Br)C(=O)O AB62700 [1,1,0,0,0,0|2,0,0]=4 512 B11R1.21 c1c(cnc(c1F)Cl)C(=O)O AB64027 [1,1,0,0,0,0|2,0,0]=4 513 B11R1.21 c1c(cnc(c1F)F)C(=O)O PB14646 [1,1,0,0,0,0|2,0,0]=4 514 B11R1.21 c1c(cnc(c1N)Cl)C(=O)O AB75265 [1,1,0,0,0,0|2,0,0]=4 515 B11R1.21 c1c(cnc(c1N)N)C(=O)O AB60261 [1,1,0,0,0,0|2,0,0]=4 516 B11R1.21 c1c(cnc(c1O)Cl)C(=O)O AB72035 [1,1,0,0,0,0|2,0,0]=4 517 B11R1.21 c1cc(c(cc1C(=O)N)Br)O MB31615 [1,1,0,0,0,0|1,0,0]=3 518 B11R1.21 c1cc(c(cc1C(=O)N)Cl)O MB09407 [1,1,0,0,0,0|1,0,0]=3 519 B11R1.21 c1cc(c(cc1C(=O)N)F)O MB30803 [1,1,0,0,0,0|1,0,0]=3 520 B11R1.21 c1cc(c(cc1C(=O)N)I)O MB25459 [1,1,0,0,0,0|1,0,0]=3 521 B11R1.21 c1cc(c(cc1C(=O)N)N)F AB51096 [1,1,0,0,0,0|2,0,0]=4 522 B11R1.21 c1cc(c(cc1C(=O)N)N)O MB11674 [1,1,0,0,0,0|1,0,0]=3 523 B11R1.21 c1cc(c(cc1C(=O)N)O)Br MB25480 [1,1,0,0,0,0|2,0,0]=4 524 B11R1.21 c1cc(c(cc1C(=O)N)O)Cl MB27786 [1,1,0,0,0,0|2,0,0]=4 525 B11R1.21 c1cc(c(cc1C(=O)N)O)F MB26081 [1,1,0,0,0,0|2,0,0]=4 526 B11R1.21 c1cc(c(cc1C(=O)N)O)I MB09166 [1,1,0,0,0,0|2,0,0]=4 527 B11R1.21 c1cc(c(cc1C(=O)N)O)N MB25500 [1,1,0,0,0,0|2,0,0]=4 528 B11R1.21 c1cc(c(cc1C(=O)O)Br)F AB01920 [1,1,0,0,0,0|1,0,0]=3 529 B11R1.21 c1cc(c(cc1C(=O)O)F)Br AB06858 [1,1,0,0,0,0|1,0,0]=3 530 B11R1.21 c1cc(c(cc1C(=O)O)F)O AB03853 [1,1,0,0,0,0|0,0,0]=2 531 B11R1.21 c1cc(c(cc1C(=O)O)N)F AB25439 [1,1,0,0,0,0|1,0,0]=3 532 B11R1.21 c1cc(c(cc1C(=O)O)O)Cl AB04116 [1,1,0,0,0,0|1,0,0]=3 533 B11R1.21 c1cc(c(cc1C(=O)O)O)F AB05533 [1,1,0,0,0,0|1,0,0]=3 534 B11R1.21 c1cc(c(cc1C(=O)O)O)I AB10648 [1,1,0,0,0,0|1,0,0]=3 535 B11R1.21 c1cc(nc(c1Cl)F)C(=O)O AB49341 [1,1,0,0,0,0|2,0,0]=4 536 B11R1.21 c1cc(nc(c1Cl)N)C(=O)O AB74552 [1,1,0,0,0,0|2,0,0]=4 537 B11R1.21 c1cc(nc(c1F)Cl)C(=O)O AB66795 [1,1,0,0,0,0|2,0,0]=4 538 B11R1.21 c1cc(nc(c1F)F)C(=O)O AB49344 [1,1,0,0,0,0|2,0,0]=4 539 B11R1.21 c1cc(nc(c1N)Cl)C(=O)O AB75268 [1,1,0,0,0,0|2,0,0]=4 540 B11R1.21 c1cc(nc(c1O)Cl)C(=O)O AB64506 [1,1,0,0,0,0|1,0,0]=3 541 B11R1.166 B(c1ccc(cc1C)O)(O)O AB16000 [1,1,0,0,0,0|1,0,1]=4 542 B11R1.166 B(c1ccc(cc1Cl)O)(O)O AB12627 [1,1,0,0,0,0|1,0,1]=4 543 B11R1.166 CC(=O)c1c(cc(cn1)Br)Br AB43404 [1,1,0,0,0,0|2,0,0]=4 544 B11R1.166 CC(=O)c1c(cc(cn1)Br)N AB77139 [1,1,0,0,0,0|2,0,0]=4 545 B11R1.166 CC(=O)c1c(cc(cn1)Br)O AB84315 [1,1,0,0,0,0|2,0,0]=4 546 B11R1.166 CC(=O)c1c(cc(cn1)Cl)F AB75038 [1,1,0,0,0,0|2,0,0]=4 547 B11R1.166 CC(=O)c1c(cc(cn1)Cl)N AB73056 [1,1,0,0,0,0|2,0,0]=4 548 B11R1.166 CC(=O)c1c(cc(cn1)Cl)O AB75011 [1,1,0,0,0,0|2,0,0]=4 549 B11R1.166 CC(=O)c1c(cc(cn1)F)Cl AB74653 [1,1,0,0,0,0|2,0,0]=4 550 B11R1.166 CC(=O)c1c(cc(cn1)F)N AB77154 [1,1,0,0,0,0|2,0,0]=4 551 B11R1.166 CC(=O)c1c(cc(cn1)N)N AB83853 [1,1,0,0,0,0|2,0,0]=4 552 B11R1.166 CC(=O)c1c(cc(cn1)N)O AB84318 [1,1,0,0,0,0|2,0,0]=4 553 B11R1.166 CC(=O)c1ccc(cc1F)Br MB02747 [1,1,0,0,0,0|1,0,0]=3 554 B11R1.166 CC(=O)c1ccc(cc1F)N MB05492 [1,1,0,0,0,0|1,0,0]=3 555 B11R1.166 CC(=O)c1ccc(cc1O)Br AB15427 [1,1,0,0,0,0|1,0,0]=3 556 B11R1.166 CC(=O)c1ccc(nc1Cl)Cl AB64664 [1,1,0,0,0,0|2,0,0]=4 557 B11R1.166 CC(=O)c1ccc(nc1F)Br AB72629 [1,1,0,0,0,0|2,0,0]=4 558 B11R1.166 CC(=O)c1ccc(nc1F)Cl AB72627 [1,1,0,0,0,0|2,0,0]=4 559 B11R1.166 CC(=O)c1ccc(nc1N)Br AB83837 [1,1,0,0,0,0|2,0,0]=4 560 B11R1.166 CC(=O)c1ccc(nc1N)Cl AB75425 [1,1,0,0,0,0|2,0,0]=4 561 B11R1.166 CC(=O)c1ccc(nc1N)N AB83840 [1,1,0,0,0,0|2,0,0]=4 562 B11R1.166 CC(=O)c1ccc(nc1O)Br AB84273 [1,1,0,0,0,0|2,0,0]=4 563 B11R1.166 CC(=O)c1ccc(nc1O)Cl AB72633 [1,1,0,0,0,0|2,0,0]=4 564 B11R1.166 CC(=O)c1ccc(nc1O)N AB84276 [1,1,0,0,0,0|2,0,0]=4 565 B11R1.166 CC(=O)c1cnc(cc1Cl)Cl AB13863 [1,1,0,0,0,0|2,0,0]=4 566 B11R1.166 CC(=O)c1cnc(cc1Cl)F AB71566 [1,1,0,0,0,0|2,0,0]=4 567 B11R1.166 CC(=O)c1cnc(cc1N)Br AB63704 [1,1,0,0,0,0|2,0,0]=4 568 B11R1.166 CC(=O)c1cnc(cc1N)Cl AB83812 [1,1,0,0,0,0|2,0,0]=4 569 B11R1.166 CC(=O)c1cnc(cc1O)Br AB72643 [1,1,0,0,0,0|2,0,0]=4 570 B11R1.166 CC(=O)c1cnc(cc1O)Cl AB84198 [1,1,0,0,0,0|2,0,0]=4 571 B11R1.166 CC(=O)c1cnc(cc1O)N AB84199 [1,1,0,0,0,0|2,0,0]=4 572 B11R1.166 CC(C)c1ccc(cc1Br)O MB22589 [1,1,0,0,0,0|1,0,1]=4 573 B11R1.166 CC(C)c1ccc(cc1Cl)O MB22592 [1,1,0,0,0,0|1,0,1]=4 574 B11R1.166 CC(C)c1ccc(cc1F)O MB22574 [1,1,0,0,0,0|1,0,1]=4 575 B11R1.166 CC(C)c1ccc(cc1I)O MB22578 [1,1,0,0,0,0|1,0,1]=4 576 B11R1.166 CN(C)c1ccc(cc1Br)O MB24896 [1,1,0,0,0,0|2,0,0]=4 577 B11R1.166 CN(C)c1ccc(cc1Cl)O MB24897 [1,1,0,0,0,0|2,0,0]=4 578 B11R1.166 CN(C)c1ccc(cc1F)O MB24879 [1,1,0,0,0,0|2,0,0]=4 579 B11R1.166 CN(C)c1ccc(cc1I)O MB24881 [1,1,0,0,0,0|2,0,0]=4 580 B11R1.166 CN(C)c1ccc(cc1N)O MB24885 [1,1,0,0,0,0|2,0,0]=4 581 B11R1.166 Cc1c(ccc(n1)Br)C(=O)O AB66864 [1,1,0,0,0,0|2,0,0]=4 582 B11R1.166 Cc1c(ccc(n1)Cl)C(=O)C AB11952 [1,1,0,0,0,0|2,0,0]=4 583 B11R1.166 Cc1c(ccc(n1)Cl)C(=O)O AB53710 [1,1,0,0,0,0|2,0,0]=4 584 B11R1.166 Cc1c(ccc(n1)F)C(=O)O AB21743 [1,1,0,0,0,0|2,0,0]=4 585 B11R1.166 Cc1c(ccc(n1)N)C(=O)O AB49780 [1,1,0,0,0,0|2,0,0]=4 586 B11R1.166 Cc1c(ccc(n1)O)C(=O)O AB54497 [1,1,0,0,0,0|1,0,0]=3 587 B11R1.166 Cc1cc(c(cn1)C(=O)C)Cl AB64940 [1,1,0,0,0,0|2,0,0]=4 588 B11R1.166 Cc1cc(c(cn1)C(=O)C)F AB83044 [1,1,0,0,0,0|2,0,0]=4 589 B11R1.166 Cc1cc(c(cn1)C(=O)C)N AB50225 [1,1,0,0,0,0|2,0,0]=4 590 B11R1.166 Cc1cc(c(cn1)C(=O)C)O AB75251 [1,1,0,0,0,0|2,0,0]=4 591 B11R1.166 Cc1cc(c(cn1)C(=O)O)Br AB66861 [1,1,0,0,0,0|2,0,0]=4 592 B11R1.166 Cc1cc(c(cn1)C(=O)O)Cl PB14950 [1,1,0,0,0,0|2,0,0]=4 593 B11R1.166 Cc1cc(c(cn1)C(=O)O)F AB66872 [1,1,0,0,0,0|2,0,0]=4 594 B11R1.166 Cc1cc(c(cn1)C(=O)O)N PB15110 [1,1,0,0,0,0|2,0,0]=4 595 B11R1.166 Cc1cc(c(cn1)C(=O)O)O AB17044 [1,1,0,0,0,0|2,0,0]=4 596 B11R1.166 Cc1cc(c(nc1)C(=O)C)C AB50219 [1,1,0,0,0,0|2,0,0]=4 597 B11R1.166 Cc1cc(c(nc1)C(=O)C)Cl AB75090 [1,1,0,0,0,0|2,0,0]=4 598 B11R1.166 Cc1cc(c(nc1)C(=O)C)F AB75164 [1,1,0,0,0,0|2,0,0]=4 599 B11R1.166 Cc1cc(c(nc1)C(=O)C)N AB77150 [1,1,0,0,0,0|2,0,0]=4 600 B11R1.166 Cc1cc(c(nc1)C(=O)C)O AB75244 [1,1,0,0,0,0|2,0,0]=4 601 B11R1.166 Cc1cc(c(nc1)C(=O)O)C AB53520 [1,1,0,0,0,0|2,0,0]=4 602 B11R1.166 Cc1cc(c(nc1)C(=O)O)Cl AB74925 [1,1,0,0,0,0|2,0,0]=4 603 B11R1.166 Cc1cc(c(nc1)C(=O)O)F PB30310 [1,1,0,0,0,0|2,0,0]=4 604 B11R1.166 Cc1cc(c(nc1)C(=O)O)N AB66555 [1,1,0,0,0,0|2,0,0]=4 605 B11R1.166 Cc1cc(ccc1C(=O)N)O MB23401 [1,1,0,0,0,0|1,0,0]=3 606 B11R1.166 Cc1cc(ccc1N(C)C)O MB08301 [1,1,0,0,0,0|2,0,0]=4 607 B11R1.166 Cc1cc(cnc1C(=O)C)Cl AB75124 [1,1,0,0,0,0|2,0,0]=4 608 B11R1.166 Cc1cc(cnc1C(=O)C)F AB74622 [1,1,0,0,0,0|2,0,0]=4 609 B11R1.166 Cc1cc(cnc1C(=O)O)Br AB41227 [1,1,0,0,0,0|2,0,0]=4 610 B11R1.166 Cc1cc(cnc1C(=O)O)Cl AB41233 [1,1,0,0,0,0|2,0,0]=4 611 B11R1.166 Cc1cc(cnc1C(=O)O)F AB74795 [1,1,0,0,0,0|2,0,0]=4 612 B11R1.166 Cc1cc(cnc1C(=O)O)N AB41220 [1,1,0,0,0,0|2,0,0]=4 613 B11R1.166 Cc1cc(ncc1C(=O)C)C AB50221 [1,1,0,0,0,0|2,0,0]=4 614 B11R1.166 Cc1cc(ncc1C(=O)C)Cl AB83349 [1,1,0,0,0,0|2,0,0]=4 615 B11R1.166 Cc1cc(ncc1C(=O)C)F AB83065 [1,1,0,0,0,0|2,0,0]=4 616 B11R1.166 Cc1cc(ncc1C(=O)O)Br AB67818 [1,1,0,0,0,0|2,0,0]=4 617 B11R1.166 Cc1cc(ncc1C(=O)O)C AB05232 [1,1,0,0,0,0|2,0,0]=4 618 B11R1.166 Cc1cc(ncc1C(=O)O)Cl AB65755 [1,1,0,0,0,0|2,0,0]=4 619 B11R1.166 Cc1cc(ncc1C(=O)O)F AB49982 [1,1,0,0,0,0|2,0,0]=4 620 B11R1.166 Cc1cc(ncc1C(=O)O)N AB53293 [1,1,0,0,0,0|2,0,0]=4 621 B11R1.166 Cc1cc(ncc1C(=O)O)O AB65757 [1,1,0,0,0,0|1,0,0]=3 622 B11R1.166 Cc1ccc(c(c1)O)C(=O)N MB02488 [1,1,0,0,0,0|2,0,0]=4 623 B11R1.166 Cc1ccc(c(n1)Br)C(=O)O AB68156 [1,1,0,0,0,0|2,0,0]=4 624 B11R1.166 Cc1ccc(c(n1)C)C(=O)O AB27627 [1,1,0,0,0,0|2,0,0]=4 625 B11R1.166 Cc1ccc(c(n1)Cl)C(=O)C AB64666 [1,1,0,0,0,0|2,0,0]=4 626 B11R1.166 Cc1ccc(c(n1)Cl)C(=O)O PB24611 [1,1,0,0,0,0|2,0,0]=4 627 B11R1.166 Cc1ccc(c(n1)N)C(=O)C AB83843 [1,1,0,0,0,0|2,0,0]=4 628 B11R1.166 Cc1ccc(c(n1)N)C(=O)O PB33689 [1,1,0,0,0,0|2,0,0]=4 629 B11R1.166 Cc1ccc(c(n1)O)C(=O)C AB84278 [1,1,0,0,0,0|2,0,0]=4 630 B11R1.166 c1c(c(cnc1Br)C(=O)O)Cl AB67976 [1,1,0,0,0,0|2,0,0]=4 631 B11R1.166 c1c(c(cnc1Br)C(=O)O)F AB68043 [1,1,0,0,0,0|2,0,0]=4 632 B11R1.166 c1c(c(cnc1Br)C(=O)O)N AB67268 [1,1,0,0,0,0|2,0,0]=4 633 B11R1.166 c1c(c(cnc1Br)C(=O)O)O AB72394 [1,1,0,0,0,0|2,0,0]=4 634 B11R1.166 c1c(c(cnc1Cl)C(=O)O)Cl AB05151 [1,1,0,0,0,0|2,0,0]=4 635 B11R1.166 c1c(c(cnc1Cl)C(=O)O)F AB68037 [1,1,0,0,0,0|2,0,0]=4 636 B11R1.166 c1c(c(cnc1Cl)C(=O)O)N PB12156 [1,1,0,0,0,0|2,0,0]=4 637 B11R1.166 c1c(c(cnc1Cl)C(=O)O)O AB69324 [1,1,0,0,0,0|2,0,0]=4 638 B11R1.166 c1c(c(cnc1F)C(=O)O)Cl AB74908 [1,1,0,0,0,0|2,0,0]=4 639 B11R1.166 c1c(c(cnc1F)C(=O)O)F AB49331 [1,1,0,0,0,0|2,0,0]=4 640 B11R1.166 c1c(c(cnc1F)C(=O)O)N PB19556 [1,1,0,0,0,0|2,0,0]=4 641 B11R1.166 c1c(c(cnc1N)C(=O)O)Cl AB67979 [1,1,0,0,0,0|2,0,0]=4 642 B11R1.166 c1c(c(cnc1N)C(=O)O)N AB71881 [1,1,0,0,0,0|2,0,0]=4 643 B11R1.166 c1c(c(cnc1O)C(=O)O)Cl AB67983 [1,1,0,0,0,0|1,0,0]=3 644 B11R1.166 c1c(cnc(c1Br)C(=O)O)Br AB25162 [1,1,0,0,0,0|2,0,0]=4 645 B11R1.166 c1c(cnc(c1Cl)C(=O)O)Cl AB13812 [1,1,0,0,0,0|2,0,0]=4 646 B11R1.166 c1c(cnc(c1Cl)C(=O)O)F AB66800 [1,1,0,0,0,0|2,0,0]=4 647 B11R1.166 c1c(cnc(c1Cl)C(=O)O)N AB73535 [1,1,0,0,0,0|2,0,0]=4 648 B11R1.166 c1c(cnc(c1F)C(=O)O)Br PB15891 [1,1,0,0,0,0|2,0,0]=4 649 B11R1.166 c1c(cnc(c1F)C(=O)O)Cl AB66361 [1,1,0,0,0,0|2,0,0]=4 650 B11R1.166 c1c(cnc(c1F)C(=O)O)N AB73541 [1,1,0,0,0,0|2,0,0]=4 651 B11R1.166 c1c(cnc(c1N)C(=O)O)Br PB25268 [1,1,0,0,0,0|2,0,0]=4 652 B11R1.166 c1c(cnc(c1N)C(=O)O)Cl PB13238 [1,1,0,0,0,0|2,0,0]=4 653 B11R1.166 c1c(cnc(c1N)C(=O)O)Cl PB25748 [1,1,0,0,0,0|2,0,0]=4 654 B11R1.166 c1c(cnc(c1N)C(=O)O)N AB83569 [1,1,0,0,0,0|2,0,0]=4 655 B11R1.166 c1cc(c(cc1Br)Br)C(=O)O AB05197 [1,1,0,0,0,0|1,0,0]=3 656 B11R1.166 c1cc(c(cc1Br)F)C(=O)O AB03858 [1,1,0,0,0,0|1,0,0]=3 657 B11R1.166 c1cc(c(cc1Br)N)C(=O)N AB65645 [1,1,0,0,0,0|2,0,0]=4 658 B11R1.166 c1cc(c(cc1Br)N)C(=O)O MB02895 [1,1,0,0,0,0|1,0,0]=3 659 B11R1.166 c1cc(c(cc1Br)O)C(=O)N MB04760 [1,1,0,0,0,0|2,0,0]=4 660 B11R1.166 c1cc(c(cc1Cl)O)C(=O)N MB09408 [1,1,0,0,0,0|2,0,0]=4 661 B11R1.166 c1cc(c(cc1F)Br)C(=O)O AB02279 [1,1,0,0,0,0|1,0,0]=3 662 B11R1.166 c1cc(c(cc1F)F)C(=O)O AB01069 [1,1,0,0,0,0|1,0,0]=3 663 B11R1.166 c1cc(c(cc1F)O)C(=O)N MB25529 [1,1,0,0,0,0|2,0,0]=4 664 B11R1.166 c1cc(c(cc1I)O)C(=O)N MB37556 [1,1,0,0,0,0|2,0,0]=4 665 B11R1.166 c1cc(c(cc1N)O)C(=O)N MB25620 [1,1,0,0,0,0|2,0,0]=4 666 B11R1.166 c1cc(c(cc1O)Br)C(=O)O MB28859 [1,1,0,0,0,0|0,0,0]=2 667 B11R1.166 c1cc(c(cc1O)Br)[N+](=O)[O-] MB08147 [1,1,0,0,0,0|1,0,1]=4 668 B11R1.166 c1cc(c(cc1O)Cl)C(=O)N MB04155 [1,1,0,0,0,0|1,0,0]=3 669 B11R1.166 c1cc(c(cc1O)Cl)[N+](=O)[O-] MB01255 [1,1,0,0,0,0|1,0,1]=4 670 B11R1.166 c1cc(c(cc1O)F)C(=O)N MB08417 [1,1,0,0,0,0|1,0,0]=3 671 B11R1.166 c1cc(c(cc1O)F)[N+](=O)[O-] AB01868 [1,1,0,0,0,0|1,0,1]=4 672 B11R1.166 c1cc(c(cc1O)I)C(=O)N MB32997 [1,1,0,0,0,0|1,0,0]=3 673 B11R1.166 c1cc(c(cc1O)I)C(=O)O MB31618 [1,1,0,0,0,0|0,0,0]=2 674 B11R1.166 c1cc(c(cc1O)N)C(=O)N MB00909 [1,1,0,0,0,0|1,0,0]=3 675 B11R1.166 c1cc(c(cc1O)N)C(=O)O MB00542 [1,1,0,0,0,0|0,0,0]=2 676 B11R1.166 c1cc(nc(c1C(=O)O)Br)Br PB17862 [1,1,0,0,0,0|2,0,0]=4 677 B11R1.166 c1cc(nc(c1C(=O)O)Br)Cl AB66786 [1,1,0,0,0,0|2,0,0]=4 678 B11R1.166 c1cc(nc(c1C(=O)O)Cl)Br AB64863 [1,1,0,0,0,0|2,0,0]=4 679 B11R1.166 c1cc(nc(c1C(=O)O)Cl)Cl PB10074 [1,1,0,0,0,0|2,0,0]=4 680 B11R1.166 c1cc(nc(c1C(=O)O)Cl)N AB53397 [1,1,0,0,0,0|2,0,0]=4 681 B11R1.166 c1cc(nc(c1C(=O)O)F)F AB43522 [1,1,0,0,0,0|2,0,0]=4 682 B11R1.166 c1cc(nc(c1C(=O)O)F)N AB76881 [1,1,0,0,0,0|2,0,0]=4 683 B11R1.166 c1cc(nc(c1C(=O)O)N)Br AB69713 [1,1,0,0,0,0|2,0,0]=4 684 B11R1.166 c1cc(nc(c1C(=O)O)N)Cl PB26608 [1,1,0,0,0,0|2,0,0]=4 685 B11R1.166 c1cc(nc(c1C(=O)O)N)N AB67450 [1,1,0,0,0,0|2,0,0]=4 686 B11R1.16 CCOC(=O)c1cccnc1 AB00748 [1,1,0,0,0,0|1,0,0]=3 687 B11R1.16 CCOC(=O)c1ccncn1 AB52728 [1,1,0,0,0,0|2,0,0]=4 688 B11R1.16 CNCC(=O)c1ccccc1 AB16229 [1,1,0,0,0,0|1,0,0]=3 689 B11R1.16 c1ccc(cc1)C(=O)OCCl AB01791 [1,1,0,0,0,0|0,0,0]=2 690 B11R1.23 CNC(=O)c1cc(ccn1)Br MB13829 [1,1,0,0,0,0|2,0,0]=4 691 B11R1.23 CNC(=O)c1cc(ccn1)Cl AB11548 [1,1,0,0,0,0|2,0,0]=4 692 B11R1.23 CNC(=O)c1cc(ccn1)N AB65387 [1,1,0,0,0,0|2,0,0]=4 693 B11R1.23 CNC(=O)c1cc(ccn1)O MB25398 [1,1,0,0,0,0|2,0,0]=4 694 B11R1.23 CNC(=O)c1cc(cnc1)Br MB02044 [1,1,0,0,0,0|2,0,0]=4 695 B11R1.23 CNC(=O)c1cc(cnc1)O MB25513 [1,1,0,0,0,0|2,0,0]=4 696 B11R1.23 CNC(=O)c1cccc(c1)O MB06615 [1,1,0,0,0,0|1,0,0]=3 697 B11R1.23 CNC(=O)c1cccc(n1)Br MB08958 [1,1,0,0,0,0|2,0,0]=4 698 B11R1.23 CNC(=O)c1ccnc(c1)Br MB02752 [1,1,0,0,0,0|2,0,0]=4 699 B11R1.23 COC(=N)c1cccc(c1)Br AB60887 [1,1,0,0,0,0|1,0,0]=3 700 B11R1.23 COC(=N)c1cccc(c1)Cl AB60959 [1,1,0,0,0,0|1,0,0]=3 701 B11R1.23 COC(=N)c1cccc(c1)N AB60976 [1,1,0,0,0,0|1,0,0]=3 702 B11R1.23 COC(=N)c1cccc(c1)O AB60982 [1,1,0,0,0,0|1,0,0]=3 703 B11R1.23 COC(=O)c1cc(ccn1)Br PB30917 [1,1,0,0,0,0|1,0,0]=3 704 B11R1.23 COC(=O)c1cc(ccn1)Cl AB20667 [1,1,0,0,0,0|1,0,0]=3 705 B11R1.23 COC(=O)c1cc(ccn1)Cl PB18698 [1,1,0,0,0,0|1,0,0]=3 706 B11R1.23 COC(=O)c1cc(ccn1)F AB40664 [1,1,0,0,0,0|1,0,0]=3 707 B11R1.23 COC(=O)c1cc(ccn1)O AB65280 [1,1,0,0,0,0|1,0,0]=3 708 B11R1.23 COC(=O)c1cc(cnc1)Br PB10112 [1,1,0,0,0,0|1,0,0]=3 709 B11R1.23 COC(=O)c1cc(cnc1)F PB12769 [1,1,0,0,0,0|1,0,0]=3 710 B11R1.23 COC(=O)c1cc(cnc1)N PB12793 [1,1,0,0,0,0|1,0,0]=3 711 B11R1.23 COC(=O)c1cc(cnc1)O AB04590 [1,1,0,0,0,0|1,0,0]=3 712 B11R1.23 COC(=O)c1cc(ncn1)Br MB14353 [1,1,0,0,0,0|2,0,0]=4 713 B11R1.23 COC(=O)c1cc(nnc1)Cl PB31801 [1,1,0,0,0,0|2,0,0]=4 714 B11R1.23 COC(=O)c1cc[nH]c(=O)c1 PB32713 [1,1,0,0,0,0|1,0,0]=3 715 B11R1.23 COC(=O)c1cccc(c1)Cl AB00128 [1,1,0,0,0,0|0,0,0]=2 716 B11R1.23 COC(=O)c1cccc(n1)Br AB23211 [1,1,0,0,0,0|1,0,0]=3 717 B11R1.23 COC(=O)c1cccc(n1)Cl MB00777 [1,1,0,0,0,0|1,0,0]=3 718 B11R1.23 COC(=O)c1cccc(n1)I AB42501 [1,1,0,0,0,0|1,0,0]=3 719 B11R1.23 COC(=O)c1cccc(n1)N PB25993 [1,1,0,0,0,0|1,0,0]=3 720 B11R1.23 COC(=O)c1ccnc(c1)Br AB16210 [1,1,0,0,0,0|1,0,0]=3 721 B11R1.23 COC(=O)c1ccnc(c1)Cl PB12260 [1,1,0,0,0,0|1,0,0]=3 722 B11R1.23 COC(=O)c1ccnc(c1)I AB43759 [1,1,0,0,0,0|1,0,0]=3 723 B11R1.23 COC(=O)c1ccnc(c1)N PB29300 [1,1,0,0,0,0|1,0,0]=3 724 B11R1.23 COC(=O)c1ccnc(n1)Br MB14325 [1,1,0,0,0,0|2,0,0]=4 725 B11R1.23 COC(=O)c1ccnc(n1)Cl PB23898 [1,1,0,0,0,0|2,0,0]=4 726 B11R1.23 COC(=O)c1cncc(n1)Cl PB17754 [1,1,0,0,0,0|2,0,0]=4 727 B11R1.23 COC(=O)c1cncc(n1)N AB60529 [1,1,0,0,0,0|2,0,0]=4 728 B11R1.23 COC(=O)c1nccc(n1)Br MB13584 [1,1,0,0,0,0|2,0,0]=4 729 B11R1.23 Cc1cc(ccn1)C(=O)OC AB55692 [1,1,0,0,0,0|1,0,0]=3 730 B11R1.23 Cc1cc(cnc1)C(=O)OC PB14201 [1,1,0,0,0,0|1,0,0]=3 731 B11R1.23 Cc1cc(ncn1)C(=O)OC PB28486 [1,1,0,0,0,0|2,0,0]=4 732 B11R1.23 c1cc(cc(c1)Br)C(=O)C=O AB45356 [1,1,0,0,0,0|2,0,0]=4 733 B11R1.23 c1cc(cc(c1)Br)C(=O)C=O AB48671 [1,1,0,0,0,0|2,0,0]=4 734 B11R1.23 c1cc(cc(c1)Cl)C(=O)C#N MB03014 [1,1,0,0,0,0|2,0,0]=4 735 B11R1.23 c1cc(cc(c1)Cl)C(=O)C=O AB48675 [1,1,0,0,0,0|2,0,0]=4 736 B11R1.23 c1cc(cc(c1)F)C(=O)C=O AB29976 [1,1,0,0,0,0|2,0,0]=4 737 B11R1.23 c1cc(cc(c1)N)C(=O)CBr AB27803 [1,1,0,0,0,0|2,0,0]=4 738 B11R1.36 CN(C)C(=O)c1cccnc1 MB00495 [1,1,0,0,0,0|2,0,0]=4 739 B11R1.222 CCC(=O)c1ccccc1F MB00205 [1,1,0,0,0,0|1,0,0]=3 740 B11R1.222 CNC(=O)c1c(cccn1)O MB12020 [1,1,0,0,0,0|2,0,0]=4 741 B11R1.222 CNC(=O)c1ccccc1O MB00422 [1,1,0,0,0,0|1,0,0]=3 742 B11R1.222 CNC(=O)c1ccncc1O MB25570 [1,1,0,0,0,0|2,0,0]=4 743 B11R1.222 CNC(=O)c1cnccc1O MB38207 [1,1,0,0,0,0|2,0,0]=4 744 B11R1.222 COC(=N)c1ccccc1Cl AB60968 [1,1,0,0,0,0|1,0,0]=3 745 B11R1.222 COC(=N)c1ccccc1F AB60966 [1,1,0,0,0,0|1,0,0]=3 746 B11R1.222 COC(=N)c1ccccc1O AB60984 [1,1,0,0,0,0|1,0,0]=3 747 B11R1.222 COC(=O)c1c(cccn1)Br PB13499 [1,1,0,0,0,0|1,0,0]=3 748 B11R1.222 COC(=O)c1c(cccn1)N AB48413 [1,1,0,0,0,0|1,0,0]=3 749 B11R1.222 COC(=O)c1c(nccn1)Br PB16076 [1,1,0,0,0,0|2,0,0]=4 750 B11R1.222 COC(=O)c1c(nccn1)Cl PB15729 [1,1,0,0,0,0|2,0,0]=4 751 B11R1.222 COC(=O)c1c(nccn1)O AB13230 [1,1,0,0,0,0|2,0,0]=4 752 B11R1.222 COC(=O)c1cccnc1Br AB31400 [1,1,0,0,0,0|1,0,0]=3 753 B11R1.222 COC(=O)c1cccnc1Cl PB12739 [1,1,0,0,0,0|1,0,0]=3 754 B11R1.222 COC(=O)c1cccnc1O AB44640 [1,1,0,0,0,0|1,0,0]=3 755 B11R1.222 COC(=O)c1ccncc1Br PB14358 [1,1,0,0,0,0|1,0,0]=3 756 B11R1.222 COC(=O)c1ccncc1I PB10250 [1,1,0,0,0,0|1,0,0]=3 757 B11R1.222 COC(=O)c1ccncc1N PB21166 [1,1,0,0,0,0|1,0,0]=3 758 B11R1.222 COC(=O)c1cnccc1Cl AB56385 [1,1,0,0,0,0|1,0,0]=3 759 B11R1.222 COC(=O)c1cnccc1F AB70564 [1,1,0,0,0,0|1,0,0]=3 760 B11R1.222 COC(=O)c1cnccc1N PB32232 [1,1,0,0,0,0|1,0,0]=3 761 B11R1.222 COC(=O)c1cncnc1N AB70459 [1,1,0,0,0,0|2,0,0]=4 762 B11R1.222 Cc1c(nccn1)C(=O)OC AB48626 [1,1,0,0,0,0|2,0,0]=4 763 B11R1.222 Cc1ccccc1C(=O)OC AB00946 [1,1,0,0,0,0|0,0,0]=2 764 B11R1.222 Cc1cccnc1C(=O)OC AB16147 [1,1,0,0,0,0|1,0,0]=3 765 B11R1.222 Cc1cnccc1C(=O)OC PB29263 [1,1,0,0,0,0|1,0,0]=3 766 B11R1.222 Cc1cnncc1C(=O)OC PB35502 [1,1,0,0,0,0|2,0,0]=4 767 B11R1.222 c1ccc(c(c1)C(=O)C#N)Cl MB02595 [1,1,0,0,0,0|2,0,0]=4 768 B11R1.222 c1ccc(c(c1)C(=O)C=O)Cl AB55316 [1,1,0,0,0,0|2,0,0]=4 769 B11R1.222 c1ccc(c(c1)C(=O)C=O)F AB49795 [1,1,0,0,0,0|2,0,0]=4 770 B11R1.15 CCOC(=O)c1cc(cs1)Br AB23220 [0,1,0,0,1,0|2,0,0]=4 771 B11R1.15 CCOC(=O)c1ccc(o1)Br AB03314 [0,1,0,0,1,0|2,0,0]=4 772 B11R1.15 CCOC(=O)c1ccc(s1)Br AB12313 [0,1,0,0,1,0|2,0,0]=4 773 B11R1.44 COC(=O)c1cc(sc1)CN AB72617 [0,1,0,0,1,0|2,0,0]=4 774 B11R1.44 COC(=O)c1ccc(s1)CN AB30257 [0,1,0,0,1,0|2,0,0]=4 775 B11R1.225 COC(=O)c1c(cc(s1)Br)N PB33047 [0,1,0,0,1,0|2,0,0]=4 776 B11R1.225 COC(=O)c1c(cc(s1)Cl)O MB14682 [0,1,0,0,1,0|2,0,0]=4 777 B11R1.225 COC(=O)c1cc(sc1Cl)Br MB19771 [0,1,0,0,1,0|2,0,0]=4 778 B11R1.225 Cc1cc(c(s1)C(=O)OC)N PB15649 [0,1,0,0,1,0|2,0,0]=4 779 B11R1.225 Cc1cc(c(s1)C(=O)OC)O MB02072 [0,1,0,0,1,0|2,0,0]=4 780 B11R1.225 Cn1cc(cc1C(=O)OC)Br AB44694 [0,1,0,0,1,0|2,0,0]=4 781 B11R1.865 COC(=O)c1c(c(cs1)Cl)O MB14669 [0,1,0,0,1,0|2,0,0]=4 782 B13R1.5 COc1ccc(cc1)CC(=N)OC AB60937 [0,1,0,0,0,1|1,0,0]=3 783 B13R1.19 CCOC(=O)Cc1ccc(cn1)Br PB32861 [0,1,0,0,0,1|2,0,0]=4 784 B13R1.19 CCOC(=O)Cc1ccc(cn1)C AB62474 [0,1,0,0,0,1|2,0,0]=4 785 B13R1.19 CCOC(=O)Cc1ccc(cn1)Cl AB62485 [0,1,0,0,0,1|2,0,0]=4 786 B13R1.19 CCOC(=O)Cc1ccc(cn1)I PB37907 [0,1,0,0,0,1|2,0,0]=4 787 B13R1.19 CCOC(=O)Cc1ccc(cn1)N PB35666 [0,1,0,0,0,1|2,0,0]=4 788 B13R1.19 CCOC(=O)Cc1ccc(cn1)O PB13946 [0,1,0,0,0,1|1,0,0]=3 789 B13R1.21 COC(=O)C(c1ccc(cc1)N)Br AB66082 [0,1,0,0,0,1|1,0,0]=3 790 B13R1.21 COC(=O)[C@H](c1ccc(cc1)F)N AB48592 [0,1,0,0,0,1|1,0,0]=3 791 B13R1.2879 Cc1cc(ccc1O)CC(=O)OC AB43599 [0,1,0,0,0,1|0,0,0]=2 792 B13R1.2879 Cc1cc(ncc1Br)CC(=O)OC AB41184 [0,1,0,0,0,1|2,0,0]=4 793 B13R1.95 CCc1ccc(c(c1)O)C(=O)NC MB23786 [0,2,0,0,0,0|2,0,0]=4 794 B13R1.95 CNC(=O)c1ccc(cc1O)C#N MB25285 [0,2,0,0,0,0|2,0,0]=4 795 B13R1.95 CNC(=O)c1ccc(cc1O)C=O MB25312 [0,2,0,0,0,0|1,0,1]=4 796 B13R1.95 CNC(=O)c1ccc(cc1O)CN MB25337 [0,2,0,0,0,0|2,0,0]=4 797 B13R1.95 CNC(=O)c1ccc(cc1O)OC MB09393 [0,2,0,0,0,0|1,0,0]=3 798 B13R1.95 CNC(=O)c1ccc(cc1O)SC MB28267 [0,2,0,0,0,0|1,1,0]=4 799 B13R1.95 COC(=O)c1c(cc(cn1)C=O)Br AB73646 [0,2,0,0,0,0|1,0,1]=4 800 B13R1.95 COC(=O)c1c(cc(cn1)C=O)Cl AB73650 [0,2,0,0,0,0|1,0,1]=4 801 B13R1.95 COC(=O)c1c(cc(cn1)C=O)F AB73648 [0,2,0,0,0,0|1,0,1]=4 802 B13R1.95 COC(=O)c1ccc(cc1Br)CBr AB16573 [0,2,0,0,0,0|1,0,0]=3 803 B13R1.95 COc1ccc(c(c1)F)C(=O)C=O AB49791 [0,2,0,0,0,0|2,0,0]=4 804 B13R1.95 COc1ccc(c(n1)Cl)C(=O)OC AB44747 [0,2,0,0,0,0|1,0,0]=3 805 B13R1.95 COc1cnc(c(n1)N)C(=O)OC AB64404 [0,2,0,0,0,0|2,0,0]=4 806 B13R1.95 Cc1c(ncc(n1)OC)C(=O)OC AB85664 [0,2,0,0,0,0|2,0,0]=4 807 B13R1.95 Cc1cc(cnc1C(=O)OC)C=O AB73652 [0,2,0,0,0,0|1,0,1]=4 808 B13R1.139 CCOc1ccc(cc1)C(=O)C=O AB45359 [0,2,0,0,0,0|2,0,0]=4 809 B13R1.139 CCOc1ccc(cc1)C(=O)C=O AB48696 [0,2,0,0,0,0|2,0,0]=4 810 B13R1.139 COC(=O)c1ccc(cc1)CC#C AB73220 [0,2,0,0,0,0|1,0,0]=3 811 B13R1.139 COC(=O)c1ccc(cc1)CCBr CB11804 [0,2,0,0,0,0|1,0,0]=3 812 B13R1.452 CCOC(=O)c1ccc(cn1)CCl AB59954 [0,2,0,0,0,0|2,0,0]=4 813 B13R1.452 CCOC(=O)c1ccc(nc1)CCl AB59997 [0,2,0,0,0,0|2,0,0]=4 814 B13R1.537 B(c1ccc(cc1)C(=O)CC)(O)O AB17302 [0,2,0,0,0,0|1,0,0]=3 815 B13R1.537 B(c1ccc(cc1)C(=O)NC)(O)O AB16009 [0,2,0,0,0,0|1,0,0]=3 816 B13R1.537 B(c1ccc(cc1)C(=O)NN)(O)O AB26504 [0,2,0,0,0,0|2,0,0]=4 817 B13R1.537 B(c1ccc(cc1)C(=O)OC)(O)O AB09470 [0,2,0,0,0,0|0,0,0]=2 818 B13R1.537 B(c1ccc(cc1)S(=O)CC)(O)O AB13174 [0,2,0,0,0,0|2,0,0]=4 819 B13R1.537 B(c1ccc(cn1)C(=O)OC)(O)O AB43316 [0,2,0,0,0,0|1,0,0]=3 820 B13R1.537 B(c1ccc(nc1)C(=O)CC)(O)O AB40654 [0,2,0,0,0,0|2,0,0]=4 821 B13R1.537 B(c1ccc(nc1)C(=O)OC)(O)O AB52578 [0,2,0,0,0,0|1,0,0]=3 822 B13R1.537 CCC(=O)c1ccc(cc1)[N+](=O)[O-] AB01233 [0,2,0,0,0,0|1,0,1]=4 823 B13R1.537 COC(=N)c1ccc(cc1)[N+](=O)[O-] AB60986 [0,2,0,0,0,0|1,0,1]=4 824 B13R1.537 COC(=O)c1ccc(cc1)C(=N)N AB60963 [0,2,0,0,0,0|1,0,0]=3 825 B13R1.537 c1cc(ccc1C(=O)C=O)C(=O)O AB23256 [0,2,0,0,0,0|2,0,0]=4 826 B13R1.3088 CCc1ccc(cc1O)C(=O)NC MB23816 [0,2,0,0,0,0|2,0,0]=4 827 B13R1.3088 CNC(=O)c1ccc(c(c1)O)C#N MB25283 [0,2,0,0,0,0|2,0,0]=4 828 B13R1.3088 CNC(=O)c1ccc(c(c1)O)C=O MB25309 [0,2,0,0,0,0|1,0,1]=4 829 B13R1.3088 CNC(=O)c1ccc(c(c1)O)CN MB25335 [0,2,0,0,0,0|2,0,0]=4 830 B13R1.3088 CNC(=O)c1ccc(c(c1)O)OC MB28716 [0,2,0,0,0,0|1,0,0]=3 831 B13R1.3088 CNc1ccc(cc1O)C(=O)NC MB29739 [0,2,0,0,0,0|2,0,0]=4 832 B13R1.3088 COC(=O)c1cc(c(cn1)C=O)Br AB73644 [0,2,0,0,0,0|1,0,1]=4 833 B13R1.3088 COC(=O)c1cc(c(cn1)C=O)Cl AB73640 [0,2,0,0,0,0|1,0,1]=4 834 B13R1.3088 COC(=O)c1cc(c(cn1)C=O)N AB73637 [0,2,0,0,0,0|1,0,1]=4 835 B13R1.3088 COC(=O)c1cc(c(cn1)C=O)O AB73641 [0,2,0,0,0,0|1,0,1]=4 836 B13R1.3088 COC(=O)c1ccc(c(c1)Cl)C#N AB66183 [0,2,0,0,0,0|1,0,0]=3 837 B13R1.3088 COC(=O)c1ccc(c(c1)Cl)CBr AB56294 [0,2,0,0,0,0|1,0,0]=3 838 B13R1.3088 COC(=O)c1ccc(c(c1)Cl)CN AB56297 [0,2,0,0,0,0|1,0,0]=3 839 B13R1.3088 COC(=O)c1ccc(c(c1)Cl)CN AB66180 [0,2,0,0,0,0|1,0,0]=3 840 B13R1.3088 COC(=O)c1ccc(c(c1)F)CBr AB05832 [0,2,0,0,0,0|1,0,0]=3 841 B13R1.3088 COC(=O)c1ccc(c(c1)F)CN AB66184 [0,2,0,0,0,0|1,0,0]=3 842 B13R1.3088 COC(=O)c1ccc(c(n1)Br)C=O AB73630 [0,2,0,0,0,0|1,0,1]=4 843 B13R1.3088 COC(=O)c1ccc(c(n1)Cl)C=O AB73624 [0,2,0,0,0,0|1,0,1]=4 844 B13R1.3088 COC(=O)c1ccc(c(n1)F)C=O AB73627 [0,2,0,0,0,0|1,0,1]=4 845 B13R1.3088 COC(=O)c1ccc(c(n1)N)C=O AB73634 [0,2,0,0,0,0|1,0,1]=4 846 B13R1.3088 COC(=O)c1ccc(c(n1)O)C=O AB73633 [0,2,0,0,0,0|1,0,1]=4 847 B13R1.3088 COc1c(cc(cn1)C(=O)OC)N AB76549 [0,2,0,0,0,0|1,0,0]=3 848 B13R1.3088 Cc1c(ccc(n1)C(=O)OC)C=O AB73632 [0,2,0,0,0,0|1,0,1]=4 849 B13R1.272 CCS(=O)(=O)c1ccc(c(c1)N)O CB10137 [0,2,0,0,0,0|2,0,0]=4 850 B13R1.466 CCOC(=O)c1cc(c(cn1)N)Cl AB69460 [0,2,0,0,0,0|2,0,0]=4 851 B13R1.466 CCOC(=O)c1cc(c(cn1)N)N AB66689 [0,2,0,0,0,0|2,0,0]=4 852 B13R1.466 CCOC(=O)c1cc(c(cn1)N)O AB69458 [0,2,0,0,0,0|2,0,0]=4 853 B13R1.466 CCOC(=O)c1cc(c(nc1)C)N PB30308 [0,2,0,0,0,0|2,0,0]=4 854 B13R1.466 CCOC(=O)c1cc(c(nc1)N)Br AB26572 [0,2,0,0,0,0|2,0,0]=4 855 B13R1.466 CCOC(=O)c1ccc(c(c1)Br)C MB09092 [0,2,0,0,0,0|1,0,0]=3 856 B13R1.466 CCOC(=O)c1ccc(c(c1)F)Br MB07616 [0,2,0,0,0,0|1,0,0]=3 857 B13R1.466 CCOC(=O)c1ccc(c(n1)Cl)N AB73357 [0,2,0,0,0,0|2,0,0]=4 858 B13R1.466 CCOC(=O)c1ccc(c(n1)F)Cl AB70576 [0,2,0,0,0,0|2,0,0]=4 859 B13R1.466 CCOC(=O)c1ccc(c(n1)F)F AB70572 [0,2,0,0,0,0|2,0,0]=4 860 B13R1.466 CCOC(=O)c1ccc(c(n1)N)N AB73342 [0,2,0,0,0,0|2,0,0]=4 861 B13R1.466 CNCC(=O)c1ccc(c(c1)O)O AB06968 [0,2,0,0,0,0|1,0,0]=3 862 B13R1.466 CONC(=O)c1ccc(c(c1)N)F AB63530 [0,2,0,0,0,0|1,0,0]=3 863 B13R1.466 Cc1ccc(cc1N)C(=O)NOC AB65706 [0,2,0,0,0,0|1,0,0]=3 864 B13R1.466 Cc1ccc(cc1O)C(=O)NOC AB63537 [0,2,0,0,0,0|1,0,0]=3 865 B13R1.1511 CCOC(=O)c1c(cc(cn1)N)Cl AB73531 [0,2,0,0,0,0|2,0,0]=4 866 B13R1.1511 CCOC(=O)c1ccc(cc1F)Cl MB02655 [0,2,0,0,0,0|1,0,0]=3 867 B13R1.1511 CCOC(=O)c1ccc(cc1F)N MB06864 [0,2,0,0,0,0|1,0,0]=3 868 B13R1.1511 CCOC(=O)c1ccc(cc1N)F AB44538 [0,2,0,0,0,0|1,0,0]=3 869 B13R1.1511 CCOC(=O)c1ccc(nc1C)Br AB69337 [0,2,0,0,0,0|2,0,0]=4 870 B13R1.1511 CCOC(=O)c1ccc(nc1C)C AB13966 [0,2,0,0,0,0|2,0,0]=4 871 B13R1.1511 CCOC(=O)c1ccc(nc1C)Cl AB64413 [0,2,0,0,0,0|2,0,0]=4 872 B13R1.1511 CCOC(=O)c1ccc(nc1C)O AB55501 [0,2,0,0,0,0|1,0,0]=3 873 B13R1.1511 CCOC(=O)c1ccc(nc1O)C AB06111 [0,2,0,0,0,0|2,0,0]=4 874 B13R1.1511 CCOC(=O)c1cnc(cc1Cl)Cl AB05228 [0,2,0,0,0,0|2,0,0]=4 875 B13R1.1511 CCOC(=O)c1cnc(cc1N)Br AB72391 [0,2,0,0,0,0|2,0,0]=4 876 B13R1.1511 CCOC(=O)c1cnc(cc1O)O AB07410 [0,2,0,0,0,0|1,0,0]=3 877 B13R1.1511 CCOC(=O)c1cnc(nc1C)O AB10488 [0,2,0,0,0,0|2,0,0]=4 878 B13R1.163 CN(C)C(=O)c1ccc(cc1Br)O MB24444 [0,2,0,0,0,0|1,0,0]=3 879 B13R1.163 CN(C)C(=O)c1ccc(cc1Cl)O MB24448 [0,2,0,0,0,0|1,0,0]=3 880 B13R1.163 CN(C)C(=O)c1ccc(cc1F)O MB24430 [0,2,0,0,0,0|1,0,0]=3 881 B13R1.163 CN(C)C(=O)c1ccc(cc1I)O MB24433 [0,2,0,0,0,0|1,0,0]=3 882 B13R1.163 CN(C)C(=O)c1ccc(cc1N)O MB24434 [0,2,0,0,0,0|1,0,0]=3 883 B13R1.163 CN(C)C(=O)c1ccc(cc1O)Br MB14848 [0,2,0,0,0,0|2,0,0]=4 884 B13R1.163 CN(C)C(=O)c1ccc(cc1O)Cl MB09414 [0,2,0,0,0,0|2,0,0]=4 885 B13R1.163 CN(C)C(=O)c1ccc(cc1O)F MB24362 [0,2,0,0,0,0|2,0,0]=4 886 B13R1.163 CN(C)C(=O)c1ccc(cc1O)I MB24367 [0,2,0,0,0,0|2,0,0]=4 887 B13R1.163 CN(C)C(=O)c1ccc(cc1O)N MB24372 [0,2,0,0,0,0|2,0,0]=4 888 B13R1.163 Cc1cc(ccc1C(=O)N(C)C)O MB24414 [0,2,0,0,0,0|1,0,0]=3 889 B13R1.163 Cc1ccc(c(c1)O)C(=O)N(C)C MB09419 [0,2,0,0,0,0|2,0,0]=4 890 B13R1.510 CN(C)C(=O)c1ccc(c(c1)Br)O MB24411 [0,2,0,0,0,0|1,0,0]=3 891 B13R1.510 CN(C)C(=O)c1ccc(c(c1)Cl)O MB09411 [0,2,0,0,0,0|1,0,0]=3 892 B13R1.510 CN(C)C(=O)c1ccc(c(c1)F)O MB24399 [0,2,0,0,0,0|1,0,0]=3 893 B13R1.510 CN(C)C(=O)c1ccc(c(c1)I)O MB24403 [0,2,0,0,0,0|1,0,0]=3 894 B13R1.510 CN(C)C(=O)c1ccc(c(c1)N)O MB24404 [0,2,0,0,0,0|1,0,0]=3 895 B13R1.510 CN(C)C(=O)c1ccc(c(c1)O)Br MB24457 [0,2,0,0,0,0|2,0,0]=4 896 B13R1.510 CN(C)C(=O)c1ccc(c(c1)O)Cl MB24460 [0,2,0,0,0,0|2,0,0]=4 897 B13R1.510 CN(C)C(=O)c1ccc(c(c1)O)F MB24361 [0,2,0,0,0,0|2,0,0]=4 898 B13R1.510 CN(C)C(=O)c1ccc(c(c1)O)I MB24364 [0,2,0,0,0,0|2,0,0]=4 899 B13R1.510 CN(C)C(=O)c1ccc(c(c1)O)N MB24368 [0,2,0,0,0,0|2,0,0]=4 900 B13R1.510 Cc1cc(ccc1O)C(=O)N(C)C MB24378 [0,2,0,0,0,0|1,0,0]=3 901 B13R1.510 Cc1ccc(cc1O)C(=O)N(C)C MB09409 [0,2,0,0,0,0|2,0,0]=4 902 B13R1.49 CCc1cc(ccc1O)C(=O)NC MB23632 [0,2,0,0,0,0|1,0,0]=3 903 B13R1.49 CCc1cc(ccc1O)C(=O)OC MB05558 [0,2,0,0,0,0|0,0,0]=2 904 B13R1.49 CNC(=O)c1ccc(c(c1)C#N)O MB25361 [0,2,0,0,0,0|1,0,0]=3 905 B13R1.49 CNC(=O)c1ccc(c(c1)C=O)O MB25387 [0,2,0,0,0,0|1,0,0]=3 906 B13R1.49 CNC(=O)c1ccc(c(c1)CN)O MB25390 [0,2,0,0,0,0|1,0,0]=3 907 B13R1.49 CNC(=O)c1ccc(c(c1)SC)O MB33967 [0,2,0,0,0,0|1,0,0]=3 908 B13R1.49 CNc1cc(ccc1O)C(=O)NC MB26316 [0,2,0,0,0,0|1,0,0]=3 909 B13R1.49 COc1cc(ccc1I)C(=O)OC AB31122 [0,2,0,0,0,0|1,0,0]=3 910 B13R1.49 COc1cc(cnc1N)C(=O)OC AB65595 [0,2,0,0,0,0|2,0,0]=4 911 B13R1.49 Cc1ccc(cc1OC)C(=O)OC AB03124 [0,2,0,0,0,0|1,0,0]=3 912 B13R1.1807 CCC(=O)c1cc(c(cc1Cl)Cl)F AB24990 [0,2,0,0,0,0|2,0,0]=4 913 B13R1.1807 COC(=O)c1c(nc(c(n1)Cl)O)N AB64397 [0,2,0,0,0,0|2,0,0]=4 914 B13R1.1807 COC(=O)c1cc(c(nc1Cl)Cl)F AB11445 [0,2,0,0,0,0|2,0,0]=4 915 B13R1.2678 Cc1cc(cc(c1N)C)C(=O)OC PB22260 [0,2,0,0,0,0|1,0,0]=3 916 B13R1.2065 CCc1cc(ccc1C(=O)NC)O MB23731 [0,2,0,0,0,0|1,0,0]=3 917 B13R1.2065 CNC(=O)c1ccc(cc1C#N)O MB36700 [0,2,0,0,0,0|1,0,0]=3 918 B13R1.2065 CNC(=O)c1ccc(cc1C=O)O MB35821 [0,2,0,0,0,0|1,0,0]=3 919 B13R1.2065 CNC(=O)c1ccc(cc1CN)O MB26653 [0,2,0,0,0,0|1,0,0]=3 920 B13R1.2065 CNC(=O)c1ccc(cc1OC)O MB27379 [0,2,0,0,0,0|1,0,0]=3 921 B13R1.2065 CNc1cc(ccc1C(=O)NC)O MB26380 [0,2,0,0,0,0|1,0,0]=3 922 B13R1.2065 COC(=O)c1c(cc(cn1)Br)CBr AB74361 [0,2,0,0,0,0|2,0,0]=4 923 B13R1.2065 COC(=O)c1c(cc(cn1)Cl)CBr AB74364 [0,2,0,0,0,0|2,0,0]=4 924 B13R1.2065 COC(=O)c1ccc(cc1C#N)Cl MB05672 [0,2,0,0,0,0|1,0,0]=3 925 B13R1.2065 COC(=O)c1ccc(cc1CBr)Br AB18064 [0,2,0,0,0,0|1,0,0]=3 926 B13R1.2065 COC(=O)c1ccc(cc1CBr)F AB64116 [0,2,0,0,0,0|1,0,0]=3 927 B13R1.2065 COC(=O)c1ccc(nc1CBr)Br AB74339 [0,2,0,0,0,0|2,0,0]=4 928 B13R1.2065 COC(=O)c1ccc(nc1CBr)Cl AB74337 [0,2,0,0,0,0|2,0,0]=4 929 B13R1.2065 COc1c(ccc(n1)N)C(=O)OC AB70613 [0,2,0,0,0,0|2,0,0]=4 930 B13R1.2065 COc1c(ccc(n1)O)C(=O)OC AB67047 [0,2,0,0,0,0|1,0,0]=3 931 B13R1.2065 COc1cc(ccc1C(=O)OC)F AB23214 [0,2,0,0,0,0|1,0,0]=3 932 B13R1.2065 Cc1cc(c(nc1)C(=O)OC)CBr AB74371 [0,2,0,0,0,0|2,0,0]=4 933 B13R1.2065 Cc1ccc(c(n1)CBr)C(=O)OC AB74342 [0,2,0,0,0,0|2,0,0]=4 934 B13R1.4656 COC(=O)c1c(cc(cc1F)Br)F AB23217 [0,2,0,0,0,0|1,0,0]=3 935 B13R1.4656 Cc1cc(c(c(c1)O)C(=O)OC)C MB08951 [0,2,0,0,0,0|1,0,0]=3 936 B13R1.4656 Cc1cc(c(c(n1)O)C(=O)OC)O AB56188 [0,2,0,0,0,0|2,0,0]=4 937 B13R1.4656 Cc1cc(cc(c1C(=O)OC)C)Br MB09871 [0,2,0,0,0,0|1,0,0]=3 938 B11R2.36 c1cc(cc2c1cco2)O MB06436 [1,0,0,1,0,0|2,0,0]=4 939 B11R2.36 c1cc2conc2cc1Br MB19398 [1,0,0,1,0,0|2,0,0]=4 940 B11R2.36 c1cc2conc2cc1Cl MB19396 [1,0,0,1,0,0|2,0,0]=4 941 B11R2.1 B1(c2ccccc2CO1)O AB08148 [1,0,0,1,0,0|1,0,1]=4 942 B11R2.1 c1cc2c(nc1)C(=O)OC2 AB66596 [1,0,0,1,0,0|1,0,0]=3 943 B11R2.1 c1cc2c(nc1)CCC2=O PB12461 [1,0,0,1,0,0|2,0,0]=4 944 B11R2.1 c1ccc2c(c1)C(=O)CO2 AB02144 [1,0,0,1,0,0|2,0,0]=4 945 B11R2.1 c1ccc2c(c1)C(=O)N=N2 MB00163 [1,0,0,1,0,0|2,0,0]=4 946 B11R2.1 c1ccc2c(c1)CNC2=O AB13096 [1,0,0,1,0,0|1,0,0]=3 947 B11R2.1 c1cncc2c1C(=O)NC2 AB66595 [1,0,0,1,0,0|2,0,0]=4 948 B11R2.1 c1cncc2c1CNC2=O PB33122 [1,0,0,1,0,0|2,0,0]=4 949 B13R2.3028 CN1c2cc(ccc2CC1=O)N PB27060 [0,0,0,1,0,1|2,0,0]=4 950 B13R2.3683 c1c(cnc2c1COC(=O)N2)Br AB65272 [0,0,0,1,0,1|2,0,0]=4 951 B13R2.3683 c1cc(nc2c1CC(=O)CC2)O AB61025 [0,0,0,1,0,1|2,0,0]=4 952 B13R2.3683 c1cc2=NC(=O)CC=c2cc1O AB16464 [0,0,0,1,0,1|1,0,1]=4 953 B13R2.3683 c1cc2c(cc1Br)CCC(=O)C2 AB05455 [0,0,0,1,0,1|2,0,0]=4 954 B13R2.3683 c1cc2c(cc1Cl)CCC(=O)C2 AB16018 [0,0,0,1,0,1|2,0,0]=4 955 B13R2.3683 c1cc2c(cc1F)CCC(=O)C2 AB12639 [0,0,0,1,0,1|2,0,0]=4 956 B13R2.3683 c1cc2c(cc1N)CCC(=O)N2 AB06458 [0,0,0,1,0,1|2,0,0]=4 957 B13R2.3683 c1cc2c(cc1O)CCC(=O)C2 MB03486 [0,0,0,1,0,1|1,0,0]=3 958 B13R2.3683 c1cc2c(cc1O)OCC(=O)N2 MB11352 [0,0,0,1,0,1|2,0,0]=4 959 B13R2.2130 COc1cc2c(cn1)C(=O)NC2 AB77330 [0,1,0,1,0,0|2,0,0]=4 960 B13R2.2130 COc1ccc2c(c1)CNC2=O AB45189 [0,1,0,1,0,0|1,0,0]=3 961 B13R2.2130 COc1ccc2c(c1)OCC2=O AB11637 [0,1,0,1,0,0|2,0,0]=4 962 B13R2.2130 COc1ccc2c(n1)CCC2=O AB70088 [0,1,0,1,0,0|2,0,0]=4 963 B13R2.2130 c1cc2c(cc1C#N)CCC2=O MB05628 [0,1,0,1,0,0|2,0,0]=4 964 B13R2.2130 c1cc2c(cc1C=O)CNC2=O AB66631 [0,1,0,1,0,0|1,0,1]=4 965 B13R2.2130 c1cc2c(cc1CN)CNC2=O PB36822 [0,1,0,1,0,0|2,0,0]=4 966 B13R2.12 c1cc(ccc1C2=NCCO2)Br MB01248 [0,1,0,1,0,0|2,0,0]=4 967 B13R2.662 COc1c2ccc(cc2on1)Cl MB09688 [0,1,0,1,0,0|1,0,1]=4 968 B13R2.5179 Cc1ccc2c(c1)CCCC2=O MB00436 [0,1,0,1,0,0|2,0,0]=4 969 B13R2.5179 Cc1ccc2c(c1)NCCC2=O AB60321 [0,1,0,1,0,0|2,0,0]=4 970 B13R2.5179 Cc1ccc2c(c1)OCCC2=O MB00918 [0,1,0,1,0,0|2,0,0]=4 971 B13R2.5179 c1c(cnc2c1CCCC2=O)O AB68954 [0,1,0,1,0,0|2,0,0]=4 972 B13R2.5179 c1c(cnc2c1COCC2=O)Br AB74032 [0,1,0,1,0,0|2,0,0]=4 973 B13R2.5179 c1c(cnc2c1COCC2=O)Cl AB74031 [0,1,0,1,0,0|2,0,0]=4 974 B13R2.5179 c1cc(nc2c1C(=O)CCC2)O AB62940 [0,1,0,1,0,0|2,0,0]=4 975 B13R2.5179 c1cc2c(cc1Br)CCCC2=O AB18188 [0,1,0,1,0,0|2,0,0]=4 976 B13R2.5179 c1cc2c(cc1Br)CCNC2=O PB27642 [0,1,0,1,0,0|2,0,0]=4 977 B13R2.5179 c1cc2c(cc1Br)OCCC2=O MB07538 [0,1,0,1,0,0|2,0,0]=4 978 B13R2.5179 c1cc2c(cc1Cl)CCCC2=O AB18184 [0,1,0,1,0,0|2,0,0]=4 979 B13R2.5179 c1cc2c(cc1Cl)CCNC2=O AB19131 [0,1,0,1,0,0|2,0,0]=4 980 B13R2.5179 c1cc2c(cc1Cl)NCCC2=O AB07151 [0,1,0,1,0,0|2,0,0]=4 981 B13R2.5179 c1cc2c(cc1Cl)OCCC2=O MB07535 [0,1,0,1,0,0|2,0,0]=4 982 B13R2.5179 c1cc2c(cc1F)CCCC2=O AB49348 [0,1,0,1,0,0|2,0,0]=4 983 B13R2.5179 c1cc2c(cc1F)CCNC2=O AB19126 [0,1,0,1,0,0|2,0,0]=4 984 B13R2.5179 c1cc2c(cc1F)NCCC2=O AB66651 [0,1,0,1,0,0|2,0,0]=4 985 B13R2.5179 c1cc2c(cc1N)CCCC2=O MB00658 [0,1,0,1,0,0|2,0,0]=4 986 B13R2.5179 c1cc2c(cc1N)NCCC2=O AB60329 [0,1,0,1,0,0|2,0,0]=4 987 B13R2.5179 c1cc2c(cc1O)CCCC2=O MB00784 [0,1,0,1,0,0|1,0,0]=3 988 B13R2.5187 c1cc2c(cc1Br)C(=O)OC2=O PB33839 [0,1,0,1,0,0|1,0,1]=4 989 B13R2.5187 c1cc2c(cc1Br)C(NC2=O)O AB50380 [0,1,0,1,0,0|2,0,0]=4 990 B13R2.5190 CN1Cc2cc(ccc2C1=O)N PB27124 [0,1,0,1,0,0|2,0,0]=4 991 B13R2.5180 c1cc(c(c2c1C(=O)CC2)Cl)Cl AB70127 [0,1,0,1,0,0|2,0,0]=4 992 B13R2.5180 c1cc(c(c2c1C(=O)CC2)F)F AB42240 [0,1,0,1,0,0|2,0,0]=4 993 B13R2.11634 c1c2c(cc(c1Br)N)C(=O)CC2 MB05913 [0,1,0,1,0,0|2,0,0]=4 994 B13R2.11634 c1c2c(cc(c1Cl)Cl)C(=O)CC2 AB49372 [0,1,0,1,0,0|2,0,0]=4 995 B13R2.11634 c1c2c(cc(c1Cl)F)C(=O)CC2 AB70079 [0,1,0,1,0,0|2,0,0]=4 996 B13R2.11634 c1c2c(cc(c1F)Cl)C(=O)CC2 AB65643 [0,1,0,1,0,0|2,0,0]=4 997 B13R2.11634 c1c2c(cc(c1F)F)C(=O)CC2 AB42242 [0,1,0,1,0,0|2,0,0]=4 998 B13R2.11642 c1c(cc(c2c1CCC2=O)F)F AB54726 [0,1,0,1,0,0|2,0,0]=4 999 B13R2.11642 c1c(cc(c2c1CNC2=O)F)Br AB65728 [0,1,0,1,0,0|2,0,0]=4 1000 B9R1.35 CC(=O)c1cc(cs1)Cl PB13009 [1,0,0,0,1,0|2,0,0]=4 1001 B9R1.35 CC(=O)c1cc(sc1)Br AB71462 [1,0,0,0,1,0|2,0,0]=4 1002 B9R1.35 CC(=O)c1cc(sc1)Cl PB18443 [1,0,0,0,1,0|2,0,0]=4 1003 B9R1.35 CC(=O)c1ccc(o1)Br AB25597 [1,0,0,0,1,0|2,0,0]=4 1004 B9R1.35 CC(=O)c1ccc(s1)Br PB24550 [1,0,0,0,1,0|2,0,0]=4 1005 B9R1.35 CC(=O)c1ccc(s1)Cl PB11578 [1,0,0,0,1,0|2,0,0]=4 1006 B9R1.35 Cc1cc(cs1)C(=O)O PB14265 [1,0,0,0,1,0|2,0,0]=4 1007 B9R1.35 Cc1cc(sc1)C(=O)O PB14117 [1,0,0,0,1,0|2,0,0]=4 1008 B9R1.35 Cc1ccc(s1)C(=O)C AB01148 [1,0,0,0,1,0|2,0,0]=4 1009 B9R1.35 Cc1ccc(s1)C(=O)O AB00425 [1,0,0,0,1,0|2,0,0]=4 1010 B9R1.35 c1c(coc1Br)C(=O)O AB45895 [1,0,0,0,1,0|2,0,0]=4 1011 B9R1.35 c1c(coc1C(=O)O)Br AB03318 [1,0,0,0,1,0|2,0,0]=4 1012 B9R1.35 c1c(csc1Br)C(=O)O PB20302 [1,0,0,0,1,0|2,0,0]=4 1013 B9R1.35 c1c(csc1C(=O)O)Br PB29256 [1,0,0,0,1,0|2,0,0]=4 1014 B9R1.35 c1c(csc1C(=O)O)Cl PB25964 [1,0,0,0,1,0|2,0,0]=4 1015 B9R1.35 c1c(csc1Cl)C(=O)O PB17106 [1,0,0,0,1,0|2,0,0]=4 1016 B9R1.35 c1c(csc1F)C(=O)O PB18609 [1,0,0,0,1,0|2,0,0]=4 1017 B9R1.35 c1cc(sc1C(=O)O)Br PB21666 [1,0,0,0,1,0|2,0,0]=4 1018 B9R1.35 c1cc(sc1C(=O)O)Cl PB12047 [1,0,0,0,1,0|2,0,0]=4 1019 B9R1.35 c1cc(sc1C(=O)O)F PB22097 [1,0,0,0,1,0|2,0,0]=4 1020 B9R1.35 c1cc(sc1C(=O)O)N MB07244 [1,0,0,0,1,0|2,0,0]=4 1021 B9R1.11 COC(=O)C1=CN=CC1 AB07842 [1,0,0,0,1,0|1,0,1]=4 1022 B9R1.11 COC(=O)c1[nH]ccn1 PB18713 [1,0,0,0,1,0|2,0,0]=4 1023 B9R1.11 COC(=O)c1ccsc1 PB18711 [1,0,0,0,1,0|1,0,0]=3 1024 B9R1.11 COC(=O)c1cncs1 AB16044 [1,0,0,0,1,0|2,0,0]=4 1025 B9R1.11 COC(=O)c1cnoc1 AB39248 [1,0,0,0,1,0|2,0,0]=4 1026 B9R1.11 COC(=O)c1cscn1 AB25133 [1,0,0,0,1,0|2,0,0]=4 1027 B9R1.11 COC(=O)c1ncco1 AB42108 [1,0,0,0,1,0|2,0,0]=4 1028 B9R1.11 c1cc(sc1)C(=O)O[Cu] AB11500 [1,0,0,0,1,0|2,0,0]=4 1029 B11R1.40 COC(=N)Cc1ccccc1 AB01554 [1,0,0,0,0,1|1,0,0]=3 1030 B11R1.40 COC(=O)Cc1ccccn1 PB18397 [1,0,0,0,0,1|1,0,0]=3 1031 B11R1.40 COC(=O)Cc1cccnc1 PB30559 [1,0,0,0,0,1|1,0,0]=3 1032 B11R1.40 COC(=O)Cc1cccnn1 PB10290 [1,0,0,0,0,1|2,0,0]=4 1033 B11R1.40 COC(=O)Cc1ccncc1 PB12720 [1,0,0,0,0,1|1,0,0]=3 1034 B11R1.40 COC(=O)Cc1ccncn1 PB21336 [1,0,0,0,0,1|2,0,0]=4 1035 B11R1.40 COC(=O)Cc1ccnnc1 PB28638 [1,0,0,0,0,1|2,0,0]=4 1036 B11R1.40 COC(=O)Cc1cnccn1 PB20098 [1,0,0,0,0,1|2,0,0]=4 1037 B11R1.40 c1ccc(cc1)CC(=O)C=O AB50241 [1,0,0,0,0,1|2,0,0]=4 1038 B13R1.14 COC(=O)CCc1ccc(cc1)Br AB55324 [0,0,0,0,0,2|1,0,0]=3 1039 B13R1.14 COC(=O)\C=C\c1ccc(cc1)Br AB04162 [0,0,0,0,0,2|1,0,0]=3