0 B11R2.4 c1ccc(cc1)C2CC2N AB00325 [0,0,0,0,0,0|0,0,0]=0 1 B10R2.6 c1cnc(nc1)C2CC2 PB25710 [1,0,0,0,0,0|2,0,0]=3 2 B12R2.79 Cc1ccc(cc1)[C@@H]2C[C@H]2N MB69375 [0,1,0,0,0,0|0,0,0]=1 3 B12R2.79 c1cc(ccc1[C@@H]2C[C@H]2N)F MB69383 [0,1,0,0,0,0|0,0,0]=1 4 B12R2.235 c1ccc(cc1)[C@@]2(C[C@@H]2F)N MB69379 [0,1,0,0,0,0|1,0,0]=2 5 B12R2.235 c1ccc(cc1)[C@@]2(C[C@H]2N)F MB69387 [0,1,0,0,0,0|0,0,0]=1 6 B10R1.15 CC(c1cccnc1)NC CB11165 [0,0,1,0,0,0|3,0,0]=4 7 B10R1.15 C[C@@H](CN)c1ccccc1 AB04898 [0,0,1,0,0,0|0,0,0]=1 8 B10R1.15 C[C@H](CN)c1ccccc1 AB04902 [0,0,1,0,0,0|0,0,0]=1 9 B10R1.15 c1cc(cnc1)C(CCl)O MB06178 [0,0,1,0,0,0|3,0,0]=4 10 B10R1.15 c1cc(cnc1)C(CN)O AB16395 [0,0,1,0,0,0|2,0,0]=3 11 B10R1.15 c1cc(cnc1)C(CO)N AB12437 [0,0,1,0,0,0|3,0,0]=4 12 B10R1.15 c1ccc(cc1)C(=O)NN AB00887 [0,0,1,0,0,0|2,0,1]=4 13 B10R1.17 CNCCc1cccnc1 AB10676 [0,0,1,0,0,0|3,0,0]=4 14 B10R1.17 CNCCc1ccncc1 AB02055 [0,0,1,0,0,0|3,0,0]=4 15 B10R1.17 c1cc(cnc1)CCC=O AB57626 [0,0,1,0,0,0|2,0,1]=4 16 B10R1.17 c1cc(cnc1)CCCN AB54556 [0,0,1,0,0,0|1,0,0]=2 17 B10R1.17 c1ccc(cc1)CCC=O AB00823 [0,0,1,0,0,0|1,0,1]=3 18 B10R1.17 c1ccc(cc1)CCCN AB00940 [0,0,1,0,0,0|0,0,0]=1 19 B10R1.17 c1ccnc(c1)CCC=O AB57635 [0,0,1,0,0,0|2,0,1]=4 20 B10R1.17 c1ccnc(c1)CCCN AB30458 [0,0,1,0,0,0|1,0,0]=2 21 B10R1.17 c1ccnc(c1)CCCO PB12987 [0,0,1,0,0,0|2,0,0]=3 22 B10R1.17 c1ccnc(c1)OCCN AB03271 [0,0,1,0,0,0|2,0,0]=3 23 B10R1.17 c1cnc(nc1)NCCN AB49586 [0,0,1,0,0,0|3,0,0]=4 24 B10R1.17 c1cnccc1CCC=O AB49299 [0,0,1,0,0,0|2,0,1]=4 25 B10R1.17 c1cnccc1CCCN AB43583 [0,0,1,0,0,0|1,0,0]=2 26 B10R1.18 B(Cc1ccccc1)(O)O AB08328 [0,0,1,0,0,0|3,0,0]=4 27 B10R1.18 CC(=O)Cc1ccccn1 AB03323 [0,0,1,0,0,0|2,0,1]=4 28 B10R1.18 CC(=O)Cc1cccnc1 AB29343 [0,0,1,0,0,0|2,0,1]=4 29 B10R1.18 CC(=O)Cc1cccnc1 AB45525 [0,0,1,0,0,0|2,0,1]=4 30 B10R1.18 CC(C)Oc1ccccn1 AB63711 [0,0,1,0,0,0|3,0,0]=4 31 B10R1.18 CC(Cc1ccccn1)N AB12969 [0,0,1,0,0,0|1,0,0]=2 32 B10R1.18 CC(Cc1cccnc1)N AB23775 [0,0,1,0,0,0|1,0,0]=2 33 B10R1.18 CC(Cc1ccncc1)N AB28531 [0,0,1,0,0,0|1,0,0]=2 34 B10R1.18 CC(Cc1cnccn1)N AB28467 [0,0,1,0,0,0|2,0,0]=3 35 B10R1.18 C[C@@H](Cc1ccccc1)N AB03711 [0,0,1,0,0,0|0,0,0]=1 36 B10R1.18 C[C@H](Cc1ccccc1)N AB07478 [0,0,1,0,0,0|0,0,0]=1 37 B10R1.18 c1ccc(cc1)CC(=N)N AB29087 [0,0,1,0,0,0|1,0,1]=3 38 B12R2.22 c1ccc(cc1)C2CC(=O)C2 PB26115 [0,0,0,0,0,1|1,0,1]=3 39 B12R2.22 c1ccc(cc1)C2CC(=O)N2 AB10995 [0,0,0,0,0,1|1,0,1]=3 40 B12R2.22 c1ccc(cc1)C2CC(C2)N PB19234 [0,0,0,0,0,1|0,0,0]=1 41 B12R2.22 c1ccc(cc1)N2CC(C2)O PB37862 [0,0,0,0,0,1|2,0,0]=3 42 B12R2.22 c1ccc(cc1)[C@H]2C[C@@H](C2)N PB38990 [0,0,0,0,0,1|0,0,0]=1 43 B12R2.22 c1ccc(cc1)[C@H]2C[C@H](C2)N PB38200 [0,0,0,0,0,1|0,0,0]=1 44 B9R1.6 CC(C)c1ccccn1 PB21659 [1,0,1,0,0,0|1,0,0]=3 45 B9R1.6 CC(c1ccccc1)Cl AB01249 [1,0,1,0,0,0|1,0,0]=3 46 B9R1.6 CC(c1ccccn1)N AB21604 [1,0,1,0,0,0|1,0,0]=3 47 B9R1.6 CC(c1cccnc1)N AB09764 [1,0,1,0,0,0|1,0,0]=3 48 B9R1.6 CC(c1ccncc1)N AB11609 [1,0,1,0,0,0|1,0,0]=3 49 B9R1.6 CC(c1ccncn1)N PB34498 [1,0,1,0,0,0|2,0,0]=4 50 B9R1.6 CC(c1ccnnc1)N PB22705 [1,0,1,0,0,0|2,0,0]=4 51 B9R1.6 CC(c1cnccn1)N PB14922 [1,0,1,0,0,0|2,0,0]=4 52 B9R1.6 CC(c1cncnc1)N PB22435 [1,0,1,0,0,0|2,0,0]=4 53 B9R1.6 CC(c1ncccn1)N AB59468 [1,0,1,0,0,0|2,0,0]=4 54 B9R1.6 C[C@@H](c1cccnc1)N AB49737 [1,0,1,0,0,0|1,0,0]=3 55 B9R1.6 C[C@@H](c1ccncc1)N AB49749 [1,0,1,0,0,0|1,0,0]=3 56 B9R1.6 C[C@@H](c1cncnc1)N PB15383 [1,0,1,0,0,0|2,0,0]=4 57 B9R1.6 C[C@H](c1cccnc1)N AB49734 [1,0,1,0,0,0|1,0,0]=3 58 B9R1.6 C[C@H](c1ccncc1)N AB49745 [1,0,1,0,0,0|1,0,0]=3 59 B9R1.6 C[C@H](c1cncnc1)N PB28768 [1,0,1,0,0,0|2,0,0]=4 60 B9R1.6 c1ccc(cc1)C(=N)N AB01943 [1,0,1,0,0,0|1,0,1]=4 61 B9R1.8 CNCc1ccccn1 AB10674 [1,0,1,0,0,0|2,0,0]=4 62 B9R1.8 CNCc1cccnc1 AB01384 [1,0,1,0,0,0|2,0,0]=4 63 B9R1.8 CNCc1ccncc1 AB02721 [1,0,1,0,0,0|2,0,0]=4 64 B9R1.8 c1c(cncn1)CCN AB45406 [1,0,1,0,0,0|2,0,0]=4 65 B9R1.8 c1cc(cnc1)CCN AB04606 [1,0,1,0,0,0|1,0,0]=3 66 B9R1.8 c1cc(cnc1)CNN PB16271 [1,0,1,0,0,0|2,0,0]=4 67 B9R1.8 c1cc(nnc1)CCN AB61130 [1,0,1,0,0,0|2,0,0]=4 68 B9R1.8 c1ccnc(c1)CCN AB00732 [1,0,1,0,0,0|1,0,0]=3 69 B9R1.8 c1ccnc(c1)CNN PB19014 [1,0,1,0,0,0|2,0,0]=4 70 B9R1.8 c1cnc(cn1)CCN AB22666 [1,0,1,0,0,0|2,0,0]=4 71 B9R1.8 c1cnc(nc1)CCN AB55156 [1,0,1,0,0,0|2,0,0]=4 72 B9R1.8 c1cnccc1CCN AB01702 [1,0,1,0,0,0|1,0,0]=3 73 B9R1.8 c1cnccc1CNN PB10342 [1,0,1,0,0,0|2,0,0]=4 74 B9R1.8 c1cncnc1CCN PB14818 [1,0,1,0,0,0|2,0,0]=4 75 B9R1.8 c1cnncc1CCN AB62610 [1,0,1,0,0,0|2,0,0]=4 76 B11R1.7 CC(C)(CN)c1ccccc1 CB10869 [0,1,1,0,0,0|0,0,0]=2 77 B11R1.7 CC(C)(CN)c1ccccn1 AB63159 [0,1,1,0,0,0|1,0,0]=3 78 B11R1.7 CC(C)(CN)c1cccnc1 AB65048 [0,1,1,0,0,0|1,0,0]=3 79 B11R1.7 CC(C)(CN)c1ccncc1 AB65050 [0,1,1,0,0,0|1,0,0]=3 80 B11R1.7 CC(CN)(c1ccccc1)O AB18534 [0,1,1,0,0,0|0,0,0]=2 81 B11R1.7 CC(CN)(c1ccccc1)O AB31018 [0,1,1,0,0,0|0,0,0]=2 82 B11R1.7 c1cc(cnc1)C(CN)(F)F AB63158 [0,1,1,0,0,0|2,0,0]=4 83 B11R1.7 c1ccc(cc1)C(CN)(F)F AB63157 [0,1,1,0,0,0|1,0,0]=3 84 B11R1.7 c1ccnc(c1)C(CN)(F)F PB32694 [0,1,1,0,0,0|2,0,0]=4 85 B11R1.16 CN(CCBr)c1ccccc1 AB60657 [0,1,1,0,0,0|2,0,0]=4 86 B11R1.16 CN(CCN)c1ccccc1 AB02070 [0,1,1,0,0,0|1,0,0]=3 87 B11R1.16 CN(CCN)c1ccccn1 AB60648 [0,1,1,0,0,0|2,0,0]=4 88 B11R1.16 CNCC(=O)c1ccccc1 AB16229 [0,1,1,0,0,0|1,0,1]=4 89 B11R1.16 C[C@@H](c1ccccc1)N=C=O AB00191 [0,1,1,0,0,0|1,0,1]=4 90 B11R1.16 C[C@H](c1ccccc1)N=C=O AB02484 [0,1,1,0,0,0|1,0,1]=4 91 B11R1.16 c1ccc(cc1)C(CCO)N AB07310 [0,1,1,0,0,0|2,0,0]=4 92 B11R1.22 C[C@@H](CN)c1ccc(cc1)Br AB85104 [0,1,1,0,0,0|0,0,0]=2 93 B11R1.22 C[C@H](CN)c1ccc(cc1)Br AB85095 [0,1,1,0,0,0|0,0,0]=2 94 B11R1.22 C[C@H](CN)c1ccc(cc1)F AB85098 [0,1,1,0,0,0|0,0,0]=2 95 B11R1.22 c1cc(ccc1C(=O)CN)Br CB10172 [0,1,1,0,0,0|1,0,1]=4 96 B11R1.23 C[C@@H](CN)c1cccc(c1)Br AB85102 [0,1,1,0,0,0|0,0,0]=2 97 B11R1.23 C[C@H](CN)c1cccc(c1)Br AB85093 [0,1,1,0,0,0|0,0,0]=2 98 B11R1.36 c1ccc(cc1)C(C(F)F)N AB28541 [0,1,1,0,0,0|2,0,0]=4 99 B11R1.222 C\C(=N/N)\c1ccccc1O AB84931 [0,1,1,0,0,0|1,0,1]=4 100 B11R1.1 CNCCc1ccc(cc1)Br AB27732 [0,1,1,0,0,0|2,0,0]=4 101 B11R1.1 CNCCc1ccc(cc1)Cl AB27728 [0,1,1,0,0,0|2,0,0]=4 102 B11R1.1 CNCCc1ccc(cc1)F AB27731 [0,1,1,0,0,0|2,0,0]=4 103 B11R1.1 CNCCc1ccc(cc1)N AB27726 [0,1,1,0,0,0|2,0,0]=4 104 B11R1.1 Cc1ccc(cc1)CCC=O AB17667 [0,1,1,0,0,0|1,0,1]=4 105 B11R1.1 Cc1ccc(cc1)CCCN AB38682 [0,1,1,0,0,0|0,0,0]=2 106 B11R1.1 Cc1ccc(cc1)CCNC AB27715 [0,1,1,0,0,0|2,0,0]=4 107 B11R1.1 Cc1ccc(cn1)CCCN AB66947 [0,1,1,0,0,0|1,0,0]=3 108 B11R1.1 Cc1cnc(cn1)CCCN AB69908 [0,1,1,0,0,0|2,0,0]=4 109 B11R1.1 c1c(ncc(n1)Cl)CCCN AB69913 [0,1,1,0,0,0|2,0,0]=4 110 B11R1.1 c1cc(ccc1CCC=O)Br AB42279 [0,1,1,0,0,0|1,0,1]=4 111 B11R1.1 c1cc(ccc1CCC=O)Cl AB42276 [0,1,1,0,0,0|1,0,1]=4 112 B11R1.1 c1cc(ccc1CCC=O)F AB43536 [0,1,1,0,0,0|1,0,1]=4 113 B11R1.1 c1cc(ccc1CCC=O)O AB49241 [0,1,1,0,0,0|1,0,1]=4 114 B11R1.1 c1cc(ccc1CCCN)Br AB23350 [0,1,1,0,0,0|0,0,0]=2 115 B11R1.1 c1cc(ccc1CCCN)Cl AB23351 [0,1,1,0,0,0|0,0,0]=2 116 B11R1.1 c1cc(ccc1CCCN)F AB38689 [0,1,1,0,0,0|0,0,0]=2 117 B11R1.1 c1cc(ccc1CCCN)F AB66835 [0,1,1,0,0,0|0,0,0]=2 118 B11R1.1 c1cc(ccc1CCCN)N AB51238 [0,1,1,0,0,0|0,0,0]=2 119 B11R1.1 c1cc(ccc1CCCN)O AB07598 [0,1,1,0,0,0|0,0,0]=2 120 B11R1.1 c1cc(ccc1CCCO)Br CB11205 [0,1,1,0,0,0|1,0,0]=3 121 B11R1.1 c1cc(ccc1OCCCl)Cl AB13874 [0,1,1,0,0,0|2,0,0]=4 122 B11R1.1 c1cc(ncc1CCCN)Br AB55119 [0,1,1,0,0,0|1,0,0]=3 123 B11R1.1 c1cc(ncc1CCCN)Cl AB55114 [0,1,1,0,0,0|1,0,0]=3 124 B11R1.17 Cc1c(cccn1)CCCN AB66944 [0,1,1,0,0,0|1,0,0]=3 125 B11R1.17 Cc1ccccc1CCC=O AB42260 [0,1,1,0,0,0|1,0,1]=4 126 B11R1.17 Cc1ccccc1CCCN AB38679 [0,1,1,0,0,0|0,0,0]=2 127 B11R1.17 Cc1ccncc1CCCN AB67853 [0,1,1,0,0,0|1,0,0]=3 128 B11R1.17 c1cc(c(nc1)Br)CCCN AB55123 [0,1,1,0,0,0|1,0,0]=3 129 B11R1.17 c1cc(c(nc1)Cl)CCCN AB55105 [0,1,1,0,0,0|1,0,0]=3 130 B11R1.17 c1ccc(c(c1)CCC=O)Br AB49228 [0,1,1,0,0,0|1,0,1]=4 131 B11R1.17 c1ccc(c(c1)CCC=O)Cl AB42271 [0,1,1,0,0,0|1,0,1]=4 132 B11R1.17 c1ccc(c(c1)CCC=O)F AB49232 [0,1,1,0,0,0|1,0,1]=4 133 B11R1.17 c1ccc(c(c1)CCCN)Br AB38695 [0,1,1,0,0,0|0,0,0]=2 134 B11R1.17 c1ccc(c(c1)CCCN)Cl AB23306 [0,1,1,0,0,0|0,0,0]=2 135 B11R1.17 c1ccc(c(c1)CCCN)F AB38684 [0,1,1,0,0,0|0,0,0]=2 136 B11R1.17 c1cncc(c1Cl)CCCN AB68003 [0,1,1,0,0,0|1,0,0]=3 137 B11R1.17 c1cncc(c1F)CCCN AB68073 [0,1,1,0,0,0|1,0,0]=3 138 B11R1.24 CNCCc1cccc(c1)Cl AB27739 [0,1,1,0,0,0|2,0,0]=4 139 B11R1.24 Cc1cc(ccn1)CCCN AB55133 [0,1,1,0,0,0|1,0,0]=3 140 B11R1.24 Cc1cccc(c1)CCC=O AB42263 [0,1,1,0,0,0|1,0,1]=4 141 B11R1.24 Cc1cccc(c1)CCCN AB38680 [0,1,1,0,0,0|0,0,0]=2 142 B11R1.24 Cc1cccc(c1)CCNC AB27735 [0,1,1,0,0,0|2,0,0]=4 143 B11R1.24 Cc1cccc(n1)CCCN AB55096 [0,1,1,0,0,0|1,0,0]=3 144 B11R1.24 Cc1ccnc(c1)CCCN AB55132 [0,1,1,0,0,0|1,0,0]=3 145 B11R1.24 c1cc(cc(c1)Br)CCC=O AB49239 [0,1,1,0,0,0|1,0,1]=4 146 B11R1.24 c1cc(cc(c1)Br)CCCN AB23346 [0,1,1,0,0,0|0,0,0]=2 147 B11R1.24 c1cc(cc(c1)Cl)CCC=O AB42275 [0,1,1,0,0,0|1,0,1]=4 148 B11R1.24 c1cc(cc(c1)Cl)CCCN AB38690 [0,1,1,0,0,0|0,0,0]=2 149 B11R1.24 c1cc(cc(c1)F)CCC=O AB43534 [0,1,1,0,0,0|1,0,1]=4 150 B11R1.24 c1cc(cc(c1)F)CCCN AB38688 [0,1,1,0,0,0|0,0,0]=2 151 B11R1.24 c1cc(nc(c1)Br)CCCN AB55110 [0,1,1,0,0,0|1,0,0]=3 152 B11R1.24 c1cc(nc(c1)Cl)CCCN AB67357 [0,1,1,0,0,0|1,0,0]=3 153 B11R1.24 c1cnc(cc1Br)CCCN AB67970 [0,1,1,0,0,0|1,0,0]=3 154 B11R1.24 c1cnc(cc1CCCN)Br AB55130 [0,1,1,0,0,0|1,0,0]=3 155 B11R1.24 c1cnc(cc1CCCN)Cl AB55121 [0,1,1,0,0,0|1,0,0]=3 156 B11R1.24 c1cnc(cc1Cl)CCCN AB68006 [0,1,1,0,0,0|1,0,0]=3 157 B11R1.24 c1cnc(cc1F)CCCN AB68075 [0,1,1,0,0,0|1,0,0]=3 158 B11R1.28 CNCCCc1ccccc1 AB10671 [0,1,1,0,0,0|0,0,0]=2 159 B11R1.28 CNCCOc1ccccn1 AB60653 [0,1,1,0,0,0|2,0,0]=4 160 B11R1.28 c1ccc(cc1)CCCCN AB00942 [0,1,1,0,0,0|0,0,0]=2 161 B11R1.28 c1ccc(cc1)CCCCN AB13248 [0,1,1,0,0,0|0,0,0]=2 162 B11R1.28 c1ccc(cc1)COCCN AB05315 [0,1,1,0,0,0|0,0,0]=2 163 B11R1.28 c1ccc(cc1)NCCCN MB00433 [0,1,1,0,0,0|0,0,0]=2 164 B11R1.28 c1ccnc(c1)OCCCN AB60652 [0,1,1,0,0,0|1,0,0]=3 165 B11R1.40 CC(CN)Oc1ccccc1 AB03575 [0,1,1,0,0,0|1,0,0]=3 166 B11R1.40 CC(CN)Oc1cccnc1 AB16397 [0,1,1,0,0,0|2,0,0]=4 167 B11R1.40 CC(CN)Oc1ccncc1 AB38917 [0,1,1,0,0,0|2,0,0]=4 168 B11R1.40 CC(Cc1ccccc1)CN CB11363 [0,1,1,0,0,0|0,0,0]=2 169 B11R1.40 c1ccc(cc1)CC(CF)N AB14681 [0,1,1,0,0,0|1,0,0]=3 170 B11R1.40 c1ccc(cc1)CC(CN)N AB65391 [0,1,1,0,0,0|0,0,0]=2 171 B11R1.40 c1ccc(cc1)C[C@@H](CN)N AB70797 [0,1,1,0,0,0|0,0,0]=2 172 B11R1.40 c1ccc(cc1)C[C@H](CN)N AB14684 [0,1,1,0,0,0|0,0,0]=2 173 B11R1.40 c1ccc(cc1)C[C@H](CO)N AB02579 [0,1,1,0,0,0|1,0,0]=3 174 B11R1.91 B(CCc1ccccc1)(O)O AB09361 [0,1,1,0,0,0|2,0,0]=4 175 B11R1.91 c1ccc(cc1)CSC(=N)N AB01105 [0,1,1,0,0,0|1,0,1]=4 176 B11R1.20 CC(C)Oc1ccc(cc1)O MB06553 [0,1,1,0,0,0|2,0,0]=4 177 B11R1.20 CC(Cc1ccc(cc1)Br)N MB00407 [0,1,1,0,0,0|0,0,0]=2 178 B11R1.20 CC(Cc1ccc(cc1)Cl)N MB01958 [0,1,1,0,0,0|0,0,0]=2 179 B11R1.20 CN(C)Cc1ccc(cc1)Br AB01531 [0,1,1,0,0,0|2,0,0]=4 180 B11R1.20 CN(C)Cc1ccc(cc1)N AB01571 [0,1,1,0,0,0|2,0,0]=4 181 B11R1.20 C[C@@H](Cc1ccc(cc1)Br)N AB76442 [0,1,1,0,0,0|0,0,0]=2 182 B11R1.20 C[C@@H](Cc1ccc(cc1)F)N AB76433 [0,1,1,0,0,0|0,0,0]=2 183 B11R1.20 C[C@H](Cc1ccc(cc1)Br)N AB76429 [0,1,1,0,0,0|0,0,0]=2 184 B11R1.20 C[C@H](Cc1ccc(cc1)F)N AB76425 [0,1,1,0,0,0|0,0,0]=2 185 B11R1.20 Cc1ccc(cc1)CC(=N)N AB29086 [0,1,1,0,0,0|1,0,1]=4 186 B11R1.20 Cc1ccc(cc1)CC(C)N MB01961 [0,1,1,0,0,0|0,0,0]=2 187 B11R1.20 c1cc(ccc1CC(=N)N)Br AB48908 [0,1,1,0,0,0|1,0,1]=4 188 B11R1.20 c1cc(ccc1CC(=N)N)Cl AB29080 [0,1,1,0,0,0|1,0,1]=4 189 B11R1.20 c1cc(ccc1CC(=N)N)F AB29082 [0,1,1,0,0,0|1,0,1]=4 190 B11R1.86 CC(Cc1ccccc1Br)N MB08211 [0,1,1,0,0,0|0,0,0]=2 191 B11R1.86 CC(Cc1ccccc1Cl)N MB06204 [0,1,1,0,0,0|0,0,0]=2 192 B11R1.86 CN(C)Cc1ccccc1Br AB01037 [0,1,1,0,0,0|2,0,0]=4 193 B11R1.86 CN(C)Cc1ccccc1N AB01574 [0,1,1,0,0,0|2,0,0]=4 194 B11R1.86 Cc1ccccc1CC(C)N MB01550 [0,1,1,0,0,0|0,0,0]=2 195 B11R1.86 c1ccc(c(c1)CC(=N)N)Cl AB60879 [0,1,1,0,0,0|1,0,1]=4 196 B11R1.86 c1ccc(c(c1)CC(=O)N)N AB26281 [0,1,1,0,0,0|1,0,1]=4 197 B11R1.157 CC(C)Oc1cccc(c1)O MB09279 [0,1,1,0,0,0|2,0,0]=4 198 B11R1.157 CC(Cc1cccc(c1)Br)N MB06206 [0,1,1,0,0,0|0,0,0]=2 199 B11R1.157 CC(Cc1cccc(c1)Cl)N MB06208 [0,1,1,0,0,0|0,0,0]=2 200 B11R1.157 CN(C)Cc1cccc(c1)Br AB20761 [0,1,1,0,0,0|2,0,0]=4 201 B11R1.157 CN(C)Cc1cccc(c1)N AB01577 [0,1,1,0,0,0|2,0,0]=4 202 B11R1.157 C[C@@H](Cc1cccc(c1)Br)N AB76444 [0,1,1,0,0,0|0,0,0]=2 203 B11R1.157 C[C@@H](Cc1cccc(c1)F)N AB76436 [0,1,1,0,0,0|0,0,0]=2 204 B11R1.157 C[C@H](Cc1cccc(c1)Br)N AB76430 [0,1,1,0,0,0|0,0,0]=2 205 B11R1.157 Cc1cccc(c1)CC(=N)N AB49995 [0,1,1,0,0,0|1,0,1]=4 206 B11R1.157 Cc1cccc(c1)CC(C)N MB05181 [0,1,1,0,0,0|0,0,0]=2 207 B11R1.157 c1cc(cc(c1)Br)CC(=N)N AB60873 [0,1,1,0,0,0|1,0,1]=4 208 B11R1.157 c1cc(cc(c1)Br)CC(=O)N AB42612 [0,1,1,0,0,0|1,0,1]=4 209 B11R1.157 c1cc(cc(c1)F)CC(=N)N AB49997 [0,1,1,0,0,0|1,0,1]=4 210 B11R1.509 CC(C)(Cc1ccccc1)N AB02355 [0,1,1,0,0,0|0,0,0]=2 211 B11R1.509 CC(C)(Cc1ccccn1)N AB76319 [0,1,1,0,0,0|1,0,0]=3 212 B11R1.509 CC(C)(Cc1cccnc1)N AB77415 [0,1,1,0,0,0|1,0,0]=3 213 B11R1.509 CC(C)(Cc1ccncc1)N AB76603 [0,1,1,0,0,0|1,0,0]=3 214 B11R1.509 CC(C)(Cc1ccncn1)N AB77438 [0,1,1,0,0,0|2,0,0]=4 215 B11R1.509 CC(C)(Cc1cncnc1)N AB77449 [0,1,1,0,0,0|2,0,0]=4 216 B11R1.509 CC(C)(Cc1ncccn1)N AB77436 [0,1,1,0,0,0|2,0,0]=4 217 B11R2.34 c1c(cnc(n1)C2CC2)Br PB33220 [1,1,0,0,0,0|2,0,0]=4 218 B11R2.34 c1c(cnc(n1)C2CC2)N PB31538 [1,1,0,0,0,0|2,0,0]=4 219 B11R2.34 c1c(ncc(n1)Br)C2CC2 MB09639 [1,1,0,0,0,0|2,0,0]=4 220 B11R2.34 c1cc(ncc1Br)C2CC2 AB65328 [1,1,0,0,0,0|1,0,0]=3 221 B11R2.34 c1cc(ncc1C2CC2)Br MB10291 [1,1,0,0,0,0|1,0,0]=3 222 B11R2.34 c1cc(nnc1C2CC2)Cl MB13911 [1,1,0,0,0,0|2,0,0]=4 223 B11R2.35 c1c(cncc1Br)C2CC2 MB10375 [1,1,0,0,0,0|1,0,0]=3 224 B11R2.35 c1c(ncnc1Br)C2CC2 MB09514 [1,1,0,0,0,0|2,0,0]=4 225 B11R2.35 c1cc(cc(c1)F)C2CO2 MB07713 [1,1,0,0,0,0|1,0,0]=3 226 B11R2.35 c1cc(nc(c1)Br)C2CC2 MB09481 [1,1,0,0,0,0|1,0,0]=3 227 B11R2.35 c1cnc(cc1C2CC2)Cl MB11621 [1,1,0,0,0,0|1,0,0]=3 228 B11R2.35 c1cnc(nc1Br)C2CC2 MB09509 [1,1,0,0,0,0|2,0,0]=4 229 B11R2.35 c1cnc(nc1C2CC2)N CB10717 [1,1,0,0,0,0|2,0,0]=4 230 B11R2.40 c1cc(cnc1)C2(CC2)N AB43088 [1,1,0,0,0,0|1,0,0]=3 231 B11R2.40 c1ccc(cc1)C2(CC2)N AB22505 [1,1,0,0,0,0|0,0,0]=2 232 B11R2.40 c1ccnc(c1)C2(CC2)N AB43090 [1,1,0,0,0,0|1,0,0]=3 233 B11R2.40 c1cnc(cn1)C2(CC2)N PB16659 [1,1,0,0,0,0|2,0,0]=4 234 B11R2.40 c1cnc(nc1)C2(CC2)N PB27038 [1,1,0,0,0,0|2,0,0]=4 235 B11R2.40 c1cnccc1C2(CC2)N AB55046 [1,1,0,0,0,0|1,0,0]=3 236 B11R2.55 c1ccc(c(c1)C2CO2)Cl MB07493 [1,1,0,0,0,0|1,0,0]=3 237 B11R2.55 c1cnc(c(n1)C2CC2)Cl MB13972 [1,1,0,0,0,0|2,0,0]=4 238 B13R2.147 c1cc(ccc1C2CC(=O)C2)Br PB24838 [0,1,0,0,0,1|1,0,1]=4 239 B13R2.423 B(C1CC1c2ccccc2)(O)O AB14743 [0,2,0,0,0,0|1,0,0]=3 240 B13R2.423 B([C@@H]1C[C@H]1c2cccnc2)(O)O AB74136 [0,2,0,0,0,0|2,0,0]=4 241 B13R2.423 B([C@H]1C[C@@H]1c2ccccc2)(O)O AB29955 [0,2,0,0,0,0|1,0,0]=3 242 B13R2.16 COc1ccc(cc1)[C@@H]2C[C@H]2N MB69384 [0,2,0,0,0,0|0,0,0]=2 243 B13R2.522 c1cc(c(cc1[C@@H]2C[C@H]2N)F)F PB31784 [0,2,0,0,0,0|0,0,0]=2 244 B13R2.2988 c1cc(ccc1C2CC2(F)F)Br AB85398 [0,2,0,0,0,0|1,0,0]=3 245 B13R2.2988 c1cc(ncc1Br)C2CC2(F)F AB85406 [0,2,0,0,0,0|2,0,0]=4 246 B13R2.3020 c1cc(cc(c1)Br)C2CC2(F)F AB85396 [0,2,0,0,0,0|1,0,0]=3 247 B11R2.1 CN1CCc2c1cccc2 MB02030 [0,0,1,1,0,0|2,0,0]=4 248 B11R2.1 c1ccc2c(c1)C(CO2)N AB27757 [0,0,1,1,0,0|2,0,0]=4 249 B11R2.1 c1ccc2c(c1)CCC2N AB00328 [0,0,1,1,0,0|2,0,0]=4 250 B11R2.1 c1ccc2c(c1)CC[C@@H]2N AB04896 [0,0,1,1,0,0|2,0,0]=4 251 B11R2.1 c1ccc2c(c1)CC[C@H]2N AB04893 [0,0,1,1,0,0|2,0,0]=4 252 B11R2.20 c1cc2c(nc1)CCCN2 AB45266 [0,0,1,1,0,0|1,0,0]=3 253 B11R2.20 c1cc2c(nc1)NCCN2 MB05240 [0,0,1,1,0,0|2,0,0]=4 254 B11R2.20 c1cc2c(nc1)NCCO2 AB49130 [0,0,1,1,0,0|2,0,0]=4 255 B11R2.20 c1cc2c(nc1)OCCN2 PB18914 [0,0,1,1,0,0|2,0,0]=4 256 B11R2.20 c1ccc2c(c1)CCN=C2 AB01545 [0,0,1,1,0,0|2,0,0]=4 257 B11R2.20 c1ccc2c(c1)NCCO2 MB02357 [0,0,1,1,0,0|1,0,0]=3 258 B11R2.20 c1cncc2c1CCCN2 AB64133 [0,0,1,1,0,0|1,0,0]=3 259 B11R2.20 c1cncc2c1NCCC2 AB43638 [0,0,1,1,0,0|1,0,0]=3 260 B11R2.20 c1cncc2c1NCCO2 AB66612 [0,0,1,1,0,0|2,0,0]=4 261 B11R2.20 c1cncc2c1OCCN2 AB43406 [0,0,1,1,0,0|2,0,0]=4 262 B11R2.10 c1ccc2c(c1)CC(=O)N2 AB00523 [0,0,1,1,0,0|1,0,1]=4 263 B11R2.10 c1ccc2c(c1)CC(C2)Br MB05045 [0,0,1,1,0,0|1,0,0]=3 264 B11R2.10 c1ccc2c(c1)CC(C2)N AB03106 [0,0,1,1,0,0|0,0,0]=2 265 B11R2.10 c1ccc2c(c1)CN(C2)N MB09229 [0,0,1,1,0,0|1,0,0]=3 266 B9R1.12 c1ccn(c1)CCCBr MB00854 [0,0,1,0,1,0|2,0,0]=4 267 B9R2.2 c1cnn(c1)C2CC2 AB85325 [1,0,0,0,1,0|2,0,0]=4 268 B13R2.31 c1ccc(cc1)CN2CC(C2)O PB10180 [0,0,0,0,0,2|2,0,0]=4 269 B13R2.10 c1ccc(cc1)C2=NC(=NC2)N AB41897 [0,0,0,0,0,2|0,0,2]=4 270 B13R2.10 c1ccc(cc1)C2CC(=O)NC2 AB09758 [0,0,0,0,0,2|1,0,1]=4 271 B13R2.10 c1ccc(cc1)C2CCC(=O)C2 AB03360 [0,0,0,0,0,2|1,0,1]=4 272 B13R2.10 c1ccc(cc1)[C@@H]2COC(=S)N2 CB10902 [0,0,0,0,0,2|1,0,1]=4 273 B13R2.15 c1ccc(cc1)[C@@H]2CNC[C@H]2N AB60630 [0,0,0,0,0,2|0,0,0]=2 274 B13R2.15 c1ccc(cc1)[C@@H]2CNC[C@H]2O PB20756 [0,0,0,0,0,2|1,0,0]=3