0 B10R1.15 CC(c1cccnc1)NC CB11165 [0,0,0,0,0,0|3,0,0]=3 1 B10R1.15 CCC(=O)c1ccccn1 AB01373 [0,0,0,0,0,0|3,0,1]=4 2 B10R1.15 CCC(c1cnccn1)N PB31632 [0,0,0,0,0,0|4,0,0]=4 3 B10R1.15 C[C@@H](CN)c1ccccc1 AB04898 [0,0,0,0,0,0|0,0,0]=0 4 B10R1.15 C[C@H](CN)c1ccccc1 AB04902 [0,0,0,0,0,0|0,0,0]=0 5 B10R1.15 c1cc(cnc1)C(=O)CBr AB02174 [0,0,0,0,0,0|3,0,1]=4 6 B10R1.15 c1cc(cnc1)C(=O)CBr AB44461 [0,0,0,0,0,0|3,0,1]=4 7 B10R1.15 c1cc(cnc1)C(=O)CCl MB06839 [0,0,0,0,0,0|3,0,1]=4 8 B10R1.15 c1cc(cnc1)C(CCl)O MB06178 [0,0,0,0,0,0|3,0,0]=3 9 B10R1.15 c1cc(cnc1)C(CN)O AB16395 [0,0,0,0,0,0|2,0,0]=2 10 B10R1.15 c1cc(cnc1)C(CO)N AB12437 [0,0,0,0,0,0|3,0,0]=3 11 B10R1.15 c1ccc(cc1)C(=O)C=O AB00817 [0,0,0,0,0,0|2,0,2]=4 12 B10R1.15 c1ccc(cc1)C(=O)C=O AB03966 [0,0,0,0,0,0|2,0,2]=4 13 B10R1.15 c1ccc(cc1)C(=O)NN AB00887 [0,0,0,0,0,0|2,0,1]=3 14 B10R1.15 c1ccnc(c1)C(=O)CBr AB23665 [0,0,0,0,0,0|3,0,1]=4 15 B10R1.15 c1cnccc1C(=O)CBr AB12154 [0,0,0,0,0,0|3,0,1]=4 16 B9R1.6 CC(=O)c1ccccn1 AB00686 [1,0,0,0,0,0|2,0,1]=4 17 B9R1.6 CC(=O)c1cccnc1 AB00750 [1,0,0,0,0,0|2,0,1]=4 18 B9R1.6 CC(=O)c1ccncc1 AB00760 [1,0,0,0,0,0|2,0,1]=4 19 B9R1.6 CC(C)c1ccccn1 PB21659 [1,0,0,0,0,0|1,0,0]=2 20 B9R1.6 CC(c1ccccc1)Cl AB01249 [1,0,0,0,0,0|1,0,0]=2 21 B9R1.6 CC(c1ccccn1)N AB21604 [1,0,0,0,0,0|1,0,0]=2 22 B9R1.6 CC(c1cccnc1)N AB09764 [1,0,0,0,0,0|1,0,0]=2 23 B9R1.6 CC(c1ccncc1)N AB11609 [1,0,0,0,0,0|1,0,0]=2 24 B9R1.6 CC(c1ccncn1)N PB34498 [1,0,0,0,0,0|2,0,0]=3 25 B9R1.6 CC(c1ccnnc1)N PB22705 [1,0,0,0,0,0|2,0,0]=3 26 B9R1.6 CC(c1cnccn1)N PB14922 [1,0,0,0,0,0|2,0,0]=3 27 B9R1.6 CC(c1cncnc1)N PB22435 [1,0,0,0,0,0|2,0,0]=3 28 B9R1.6 CC(c1ncccn1)N AB59468 [1,0,0,0,0,0|2,0,0]=3 29 B9R1.6 CN(C)c1ncccn1 AB64628 [1,0,0,0,0,0|3,0,0]=4 30 B9R1.6 C[C@@H](c1cccnc1)N AB49737 [1,0,0,0,0,0|1,0,0]=2 31 B9R1.6 C[C@@H](c1ccncc1)N AB49749 [1,0,0,0,0,0|1,0,0]=2 32 B9R1.6 C[C@@H](c1cncnc1)N PB15383 [1,0,0,0,0,0|2,0,0]=3 33 B9R1.6 C[C@H](c1cccnc1)N AB49734 [1,0,0,0,0,0|1,0,0]=2 34 B9R1.6 C[C@H](c1ccncc1)N AB49745 [1,0,0,0,0,0|1,0,0]=2 35 B9R1.6 C[C@H](c1cncnc1)N PB28768 [1,0,0,0,0,0|2,0,0]=3 36 B9R1.6 c1cc(cnc1)C(F)F AB64034 [1,0,0,0,0,0|3,0,0]=4 37 B9R1.6 c1ccc(cc1)C(=N)N AB01943 [1,0,0,0,0,0|1,0,1]=3 38 B9R1.6 c1ccnc(c1)C(=N)N MB00460 [1,0,0,0,0,0|2,0,1]=4 39 B9R1.6 c1ccnc(c1)C(=S)N AB03215 [1,0,0,0,0,0|2,0,1]=4 40 B9R1.6 c1ccnc(c1)C(F)F AB64042 [1,0,0,0,0,0|3,0,0]=4 41 B9R1.6 c1cnccc1C(=N)N MB02852 [1,0,0,0,0,0|2,0,1]=4 42 B9R1.6 c1cnccc1C(=S)N AB00764 [1,0,0,0,0,0|2,0,1]=4 43 B9R1.8 C#CCc1ccccn1 AB73234 [1,0,0,0,0,0|2,0,1]=4 44 B9R1.8 C#CCc1cccnc1 AB61408 [1,0,0,0,0,0|2,0,1]=4 45 B9R1.8 CNCc1ccccn1 AB10674 [1,0,0,0,0,0|3,0,0]=4 46 B9R1.8 CNCc1cccnc1 AB01384 [1,0,0,0,0,0|3,0,0]=4 47 B9R1.8 CNCc1ccncc1 AB02721 [1,0,0,0,0,0|3,0,0]=4 48 B9R1.8 c1c(cncn1)CCN AB45406 [1,0,0,0,0,0|2,0,0]=3 49 B9R1.8 c1c(cncn1)CNN PB19654 [1,0,0,0,0,0|3,0,0]=4 50 B9R1.8 c1cc(cnc1)CCN AB04606 [1,0,0,0,0,0|1,0,0]=2 51 B9R1.8 c1cc(cnc1)CNN PB16271 [1,0,0,0,0,0|2,0,0]=3 52 B9R1.8 c1cc(nnc1)CCN AB61130 [1,0,0,0,0,0|2,0,0]=3 53 B9R1.8 c1cc(nnc1)CNN PB37174 [1,0,0,0,0,0|3,0,0]=4 54 B9R1.8 c1ccc(cc1)NC#N MB01061 [1,0,0,0,0,0|1,0,2]=4 55 B9R1.8 c1ccc(cc1)\C=C\Br AB00116 [1,0,0,0,0,0|1,0,2]=4 56 B9R1.8 c1ccc(cc1)\C=N/O AB02488 [1,0,0,0,0,0|2,0,1]=4 57 B9R1.8 c1ccnc(c1)CC#N AB00727 [1,0,0,0,0,0|1,0,2]=4 58 B9R1.8 c1ccnc(c1)CC=O AB61426 [1,0,0,0,0,0|2,0,1]=4 59 B9R1.8 c1ccnc(c1)CCN AB00732 [1,0,0,0,0,0|1,0,0]=2 60 B9R1.8 c1ccnc(c1)CNN PB19014 [1,0,0,0,0,0|2,0,0]=3 61 B9R1.8 c1cnc(cn1)CCN AB22666 [1,0,0,0,0,0|2,0,0]=3 62 B9R1.8 c1cnc(cn1)CNN PB20222 [1,0,0,0,0,0|3,0,0]=4 63 B9R1.8 c1cnc(nc1)CCN AB55156 [1,0,0,0,0,0|2,0,0]=3 64 B9R1.8 c1cnc(nc1)CNN PB21406 [1,0,0,0,0,0|3,0,0]=4 65 B9R1.8 c1cnccc1CCN AB01702 [1,0,0,0,0,0|1,0,0]=2 66 B9R1.8 c1cnccc1CNN PB10342 [1,0,0,0,0,0|2,0,0]=3 67 B9R1.8 c1cncnc1CCN PB14818 [1,0,0,0,0,0|2,0,0]=3 68 B9R1.8 c1cnncc1CCN AB62610 [1,0,0,0,0,0|2,0,0]=3 69 B9R1.8 c1cnncc1CNN PB35490 [1,0,0,0,0,0|3,0,0]=4 70 B11R1.7 CC(C)(CN)c1ccccc1 CB10869 [0,1,0,0,0,0|0,0,0]=1 71 B11R1.7 CC(C)(CN)c1ccccn1 AB63159 [0,1,0,0,0,0|1,0,0]=2 72 B11R1.7 CC(C)(CN)c1cccnc1 AB65048 [0,1,0,0,0,0|1,0,0]=2 73 B11R1.7 CC(C)(CN)c1ccncc1 AB65050 [0,1,0,0,0,0|1,0,0]=2 74 B11R1.7 CC(CN)(c1ccccc1)O AB18534 [0,1,0,0,0,0|0,0,0]=1 75 B11R1.7 CC(CN)(c1ccccc1)O AB31018 [0,1,0,0,0,0|0,0,0]=1 76 B11R1.7 c1cc(cnc1)C(CN)(F)F AB63158 [0,1,0,0,0,0|2,0,0]=3 77 B11R1.7 c1ccc(cc1)C(CN)(F)F AB63157 [0,1,0,0,0,0|1,0,0]=2 78 B11R1.7 c1ccnc(c1)C(CN)(F)F PB32694 [0,1,0,0,0,0|2,0,0]=3 79 B11R1.7 c1ccnc(c1)C(CO)(F)F PB29587 [0,1,0,0,0,0|3,0,0]=4 80 B11R1.16 CN(CCBr)c1ccccc1 AB60657 [0,1,0,0,0,0|2,0,0]=3 81 B11R1.16 CN(CCN)c1ccccc1 AB02070 [0,1,0,0,0,0|1,0,0]=2 82 B11R1.16 CN(CCN)c1ccccn1 AB60648 [0,1,0,0,0,0|2,0,0]=3 83 B11R1.16 CNCC(=O)c1ccccc1 AB16229 [0,1,0,0,0,0|1,0,1]=3 84 B11R1.16 C[C@@H](c1ccccc1)N=C=O AB00191 [0,1,0,0,0,0|1,0,1]=3 85 B11R1.16 C[C@H](c1ccccc1)N=C=O AB02484 [0,1,0,0,0,0|1,0,1]=3 86 B11R1.16 c1ccc(cc1)C(=O)OCCl AB01791 [0,1,0,0,0,0|2,0,1]=4 87 B11R1.16 c1ccc(cc1)C(CCO)N AB07310 [0,1,0,0,0,0|2,0,0]=3 88 B11R1.22 C[C@@H](CN)c1ccc(cc1)Br AB85104 [0,1,0,0,0,0|0,0,0]=1 89 B11R1.22 C[C@H](CN)c1ccc(cc1)Br AB85095 [0,1,0,0,0,0|0,0,0]=1 90 B11R1.22 C[C@H](CN)c1ccc(cc1)F AB85098 [0,1,0,0,0,0|0,0,0]=1 91 B11R1.22 c1cc(ccc1C(=O)CN)Br CB10172 [0,1,0,0,0,0|1,0,1]=3 92 B11R1.22 c1cc(ccc1C(=O)CO)F MB02453 [0,1,0,0,0,0|2,0,1]=4 93 B11R1.23 CCN(C)c1cccc(n1)Br AB54124 [0,1,0,0,0,0|3,0,0]=4 94 B11R1.23 C[C@@H](CN)c1cccc(c1)Br AB85102 [0,1,0,0,0,0|0,0,0]=1 95 B11R1.23 C[C@H](CN)c1cccc(c1)Br AB85093 [0,1,0,0,0,0|0,0,0]=1 96 B11R1.23 c1cc(cc(c1)N)C(=O)CBr AB27803 [0,1,0,0,0,0|2,0,1]=4 97 B11R1.36 c1ccc(cc1)C(C(F)F)N AB28541 [0,1,0,0,0,0|2,0,0]=3 98 B11R1.36 c1ccc(cc1)[C@@H](C(=O)O)N AB02597 [0,1,0,0,0,0|2,0,1]=4 99 B11R1.36 c1ccc(cc1)[C@H](C(=O)O)N AB00920 [0,1,0,0,0,0|2,0,1]=4 100 B11R1.222 CCC(=O)c1ccccc1F MB00205 [0,1,0,0,0,0|2,0,1]=4 101 B11R1.222 C\C(=N/N)\c1ccccc1O AB84931 [0,1,0,0,0,0|1,0,1]=3 102 B11R2.1 CC1=c2cccnc2=NC1 PB29501 [0,0,0,1,0,0|1,0,2]=4 103 B11R2.1 CN1CCc2c1cccc2 MB02030 [0,0,0,1,0,0|2,0,0]=3 104 B11R2.1 Cn1c2ccccc2cn1 PB18505 [0,0,0,1,0,0|3,0,0]=4 105 B11R2.1 c1cc2c(nc1)CCC2N AB32640 [0,0,0,1,0,0|3,0,0]=4 106 B11R2.1 c1cc2c(nc1)OCC2N AB70106 [0,0,0,1,0,0|3,0,0]=4 107 B11R2.1 c1ccc2c(c1)C(=O)CO2 AB02144 [0,0,0,1,0,0|2,0,1]=4 108 B11R2.1 c1ccc2c(c1)C(CO2)N AB27757 [0,0,0,1,0,0|2,0,0]=3 109 B11R2.1 c1ccc2c(c1)C(N=N2)N MB69235 [0,0,0,1,0,0|2,0,1]=4 110 B11R2.1 c1ccc2c(c1)CCC2N AB00328 [0,0,0,1,0,0|2,0,0]=3 111 B11R2.1 c1ccc2c(c1)CCN2N MB03088 [0,0,0,1,0,0|3,0,0]=4 112 B11R2.1 c1ccc2c(c1)CC[C@@H]2N AB04896 [0,0,0,1,0,0|2,0,0]=3 113 B11R2.1 c1ccc2c(c1)CC[C@H]2N AB04893 [0,0,0,1,0,0|2,0,0]=3 114 B11R2.4 c1ccc(cc1)C2CC2N AB00325 [0,0,0,1,0,0|0,0,0]=1 115 B11R2.40 c1cc(cnc1)C2(CC2)N AB43088 [0,0,0,1,0,0|3,0,0]=4 116 B11R2.40 c1ccc(cc1)C2(CC2)N AB22505 [0,0,0,1,0,0|2,0,0]=3 117 B11R2.40 c1ccnc(c1)C2(CC2)N AB43090 [0,0,0,1,0,0|3,0,0]=4 118 B11R2.40 c1cnccc1C2(CC2)N AB55046 [0,0,0,1,0,0|3,0,0]=4 119 B9R1.11 c1cc(sc1)C(CO)N PB33213 [0,0,0,0,1,0|3,0,0]=4 120 B11R1.40 CC(CN)Oc1ccccc1 AB03575 [0,0,0,0,0,1|0,0,0]=1 121 B11R1.40 CC(CN)Oc1cccnc1 AB16397 [0,0,0,0,0,1|1,0,0]=2 122 B11R1.40 CC(CN)Oc1ccncc1 AB38917 [0,0,0,0,0,1|1,0,0]=2 123 B11R1.40 CC(Cc1ccccc1)CN CB11363 [0,0,0,0,0,1|0,0,0]=1 124 B11R1.40 c1ccc(cc1)CC(CF)N AB14681 [0,0,0,0,0,1|2,0,0]=3 125 B11R1.40 c1ccc(cc1)CC(CN)N AB65391 [0,0,0,0,0,1|1,0,0]=2 126 B11R1.40 c1ccc(cc1)C[C@@H](CN)N AB70797 [0,0,0,0,0,1|1,0,0]=2 127 B11R1.40 c1ccc(cc1)C[C@H](CN)N AB14684 [0,0,0,0,0,1|1,0,0]=2 128 B11R1.40 c1ccc(cc1)C[C@H](CO)N AB02579 [0,0,0,0,0,1|2,0,0]=3 129 B8R1.2 CNc1cccnc1 AB09114 [2,0,0,0,0,0|2,0,0]=4 130 B8R1.2 COc1cccnc1 AB06864 [2,0,0,0,0,0|2,0,0]=4 131 B8R1.2 c1c(cncn1)CN PB26277 [2,0,0,0,0,0|2,0,0]=4 132 B8R1.2 c1cc(cnc1)CCl AB01984 [2,0,0,0,0,0|2,0,0]=4 133 B8R1.2 c1cc(cnc1)CN AB00752 [2,0,0,0,0,0|1,0,0]=3 134 B8R1.2 c1cc(cnc1)NN AB42924 [2,0,0,0,0,0|2,0,0]=4 135 B8R1.2 c1cc(cnc1)NN PB18886 [2,0,0,0,0,0|2,0,0]=4 136 B8R1.2 c1cc(nnc1)CN PB29341 [2,0,0,0,0,0|2,0,0]=4 137 B8R1.2 c1ccnc(c1)CBr MB02148 [2,0,0,0,0,0|2,0,0]=4 138 B8R1.2 c1ccnc(c1)CCl AB22495 [2,0,0,0,0,0|2,0,0]=4 139 B8R1.2 c1ccnc(c1)CN AB00731 [2,0,0,0,0,0|1,0,0]=3 140 B8R1.2 c1cnc(cn1)CN PB14180 [2,0,0,0,0,0|2,0,0]=4 141 B8R1.2 c1cnc(nc1)CN CB11589 [2,0,0,0,0,0|2,0,0]=4 142 B8R1.2 c1cnc(nc1)CN PB23443 [2,0,0,0,0,0|2,0,0]=4 143 B8R1.2 c1cnccc1CCl AB15539 [2,0,0,0,0,0|2,0,0]=4 144 B8R1.2 c1cnccc1CN AB00767 [2,0,0,0,0,0|1,0,0]=3 145 B8R1.2 c1cnccc1NN PB27392 [2,0,0,0,0,0|2,0,0]=4 146 B8R1.2 c1cnccc1ON AB31585 [2,0,0,0,0,0|2,0,0]=4 147 B8R1.2 c1cncnc1CN PB10439 [2,0,0,0,0,0|2,0,0]=4 148 B8R1.2 c1cnncc1CN PB31361 [2,0,0,0,0,0|2,0,0]=4 149 B10R1.13 CC(=C)c1ccc(cc1)O CB10241 [1,1,0,0,0,0|0,0,2]=4 150 B10R1.13 CC(C)c1ccc(cn1)Br MB11629 [1,1,0,0,0,0|1,0,0]=3 151 B10R1.13 CC(C)c1ccc(cn1)N PB22166 [1,1,0,0,0,0|1,0,0]=3 152 B10R1.13 CC(C)c1ccc(cn1)O MB08432 [1,1,0,0,0,0|1,0,0]=3 153 B10R1.13 CC(C)c1ccc(nc1)Br MB10296 [1,1,0,0,0,0|1,0,0]=3 154 B10R1.13 CC(C)c1ccc(nn1)Cl MB11649 [1,1,0,0,0,0|2,0,0]=4 155 B10R1.13 CC(C)c1cnc(cn1)Br AB64004 [1,1,0,0,0,0|2,0,0]=4 156 B10R1.13 CC(C)c1cnc(cn1)Cl AB70173 [1,1,0,0,0,0|2,0,0]=4 157 B10R1.13 CC(C)c1ncc(cn1)Br PB22629 [1,1,0,0,0,0|2,0,0]=4 158 B10R1.13 CC(C)c1ncc(cn1)Cl AB59147 [1,1,0,0,0,0|2,0,0]=4 159 B10R1.13 CC(C)c1ncc(cn1)N AB58991 [1,1,0,0,0,0|2,0,0]=4 160 B10R1.13 CC(C)c1ncc(cn1)O AB58598 [1,1,0,0,0,0|2,0,0]=4 161 B10R1.13 CC(c1ccc(cn1)F)N PB27166 [1,1,0,0,0,0|1,0,0]=3 162 B10R1.13 CC(c1ccc(nc1)Br)N AB67301 [1,1,0,0,0,0|1,0,0]=3 163 B10R1.13 CC(c1ccc(nc1)Cl)N AB67348 [1,1,0,0,0,0|1,0,0]=3 164 B10R1.13 CC(c1ncc(cn1)Cl)N AB59171 [1,1,0,0,0,0|2,0,0]=4 165 B10R1.13 CC(c1ncc(cn1)F)N PB11305 [1,1,0,0,0,0|2,0,0]=4 166 B10R1.13 CN(C)c1ccc(cc1)O CB10546 [1,1,0,0,0,0|1,0,0]=3 167 B10R1.13 CN(C)c1ccc(cc1)O MB02001 [1,1,0,0,0,0|1,0,0]=3 168 B10R1.13 CN(C)c1ccc(cn1)Br AB03372 [1,1,0,0,0,0|2,0,0]=4 169 B10R1.13 CN(C)c1ccc(cn1)Cl AB67483 [1,1,0,0,0,0|2,0,0]=4 170 B10R1.13 CN(C)c1ccc(cn1)N PB31328 [1,1,0,0,0,0|2,0,0]=4 171 B10R1.13 CN(C)c1ccc(cn1)O MB24899 [1,1,0,0,0,0|2,0,0]=4 172 B10R1.13 CN(C)c1ccc(nc1)Br MB00661 [1,1,0,0,0,0|2,0,0]=4 173 B10R1.13 C[C@@H](c1ccc(nc1)Cl)N AB49730 [1,1,0,0,0,0|1,0,0]=3 174 B10R1.13 C[C@@H](c1ncc(cn1)F)N AB73466 [1,1,0,0,0,0|2,0,0]=4 175 B10R1.13 C[C@H](c1ccc(nc1)Cl)N AB49726 [1,1,0,0,0,0|1,0,0]=3 176 B10R1.13 C[C@H](c1ncc(cn1)F)N AB73465 [1,1,0,0,0,0|2,0,0]=4 177 B10R1.13 Cc1ccc(cc1)C(=N)N AB01792 [1,1,0,0,0,0|1,0,1]=4 178 B10R1.13 Cc1ccc(cc1)C(=S)N AB04365 [1,1,0,0,0,0|1,0,1]=4 179 B10R1.13 Cc1ccc(cn1)C(C)N AB53828 [1,1,0,0,0,0|1,0,0]=3 180 B10R1.13 Cc1cnc(nc1)C(C)N AB59472 [1,1,0,0,0,0|2,0,0]=4 181 B10R1.13 c1cc(ccc1C(=N)N)Br AB06234 [1,1,0,0,0,0|1,0,1]=4 182 B10R1.13 c1cc(ccc1C(=N)N)Cl AB03527 [1,1,0,0,0,0|1,0,1]=4 183 B10R1.13 c1cc(ccc1C(=N)N)F AB18284 [1,1,0,0,0,0|1,0,1]=4 184 B10R1.13 c1cc(ccc1C(=N)N)I AB18403 [1,1,0,0,0,0|1,0,1]=4 185 B10R1.13 c1cc(ccc1C(=N)N)N AB01119 [1,1,0,0,0,0|1,0,1]=4 186 B10R1.13 c1cc(ccc1C(=N)N)O AB03766 [1,1,0,0,0,0|1,0,1]=4 187 B10R1.13 c1cc(ccc1C(=S)N)Br AB18142 [1,1,0,0,0,0|1,0,1]=4 188 B10R1.13 c1cc(ccc1C(=S)N)Cl AB01841 [1,1,0,0,0,0|1,0,1]=4 189 B10R1.13 c1cc(ccc1C(=S)N)F AB08498 [1,1,0,0,0,0|1,0,1]=4 190 B10R1.13 c1cc(ccc1C(=S)N)N AB01833 [1,1,0,0,0,0|1,0,1]=4 191 B10R1.13 c1cc(ccc1C(=S)N)O AB21285 [1,1,0,0,0,0|1,0,1]=4 192 B10R1.28 CC(C)(C)c1ccccn1 CB10120 [1,1,0,0,0,0|1,0,0]=3 193 B10R1.28 CC(C)(c1ccccn1)N AB48746 [1,1,0,0,0,0|1,0,0]=3 194 B10R1.28 CC(C)(c1cccnc1)N AB48740 [1,1,0,0,0,0|1,0,0]=3 195 B10R1.28 CC(C)(c1ccncc1)N AB48742 [1,1,0,0,0,0|1,0,0]=3 196 B10R1.61 CC(C)c1c(cccn1)O MB22687 [1,1,0,0,0,0|1,0,0]=3 197 B10R1.61 CC(C)c1c(nccn1)Cl AB70582 [1,1,0,0,0,0|2,0,0]=4 198 B10R1.61 CC(C)c1ccncc1O MB22678 [1,1,0,0,0,0|1,0,0]=3 199 B10R1.61 CC(C)c1cnccc1O MB22684 [1,1,0,0,0,0|1,0,0]=3 200 B10R1.61 CC(C)c1cncnc1Cl AB55647 [1,1,0,0,0,0|2,0,0]=4 201 B10R1.61 CC(c1cccnc1Br)N AB41828 [1,1,0,0,0,0|1,0,0]=3 202 B10R1.61 CC(c1cccnc1Cl)N AB67346 [1,1,0,0,0,0|1,0,0]=3 203 B10R1.61 CC(c1cnccc1Cl)N AB68000 [1,1,0,0,0,0|1,0,0]=3 204 B10R1.61 CN(C)c1c(cccn1)Br AB67478 [1,1,0,0,0,0|2,0,0]=4 205 B10R1.61 CN(C)c1c(cccn1)Cl AB67480 [1,1,0,0,0,0|2,0,0]=4 206 B10R1.61 CN(C)c1c(cccn1)O MB24991 [1,1,0,0,0,0|2,0,0]=4 207 B10R1.61 CN(C)c1ccccc1O MB08302 [1,1,0,0,0,0|1,0,0]=3 208 B10R1.61 CN(C)c1ccncc1O MB24982 [1,1,0,0,0,0|2,0,0]=4 209 B10R1.61 CN(C)c1cnccc1O MB24989 [1,1,0,0,0,0|2,0,0]=4 210 B10R1.61 Cc1c(cccn1)C(C)C AB65910 [1,1,0,0,0,0|1,0,0]=3 211 B10R1.61 Cc1c(cccn1)C(C)N AB66938 [1,1,0,0,0,0|1,0,0]=3 212 B10R1.61 Cc1ccccc1C(=N)N AB18273 [1,1,0,0,0,0|1,0,1]=4 213 B10R1.61 Cc1ccccc1C(=S)N AB16881 [1,1,0,0,0,0|1,0,1]=4 214 B10R1.61 Cc1ccncc1C(C)N AB67850 [1,1,0,0,0,0|1,0,0]=3 215 B10R1.61 c1ccc(c(c1)C(=N)N)Br AB18326 [1,1,0,0,0,0|1,0,1]=4 216 B10R1.61 c1ccc(c(c1)C(=N)N)Cl AB05888 [1,1,0,0,0,0|1,0,1]=4 217 B10R1.61 c1ccc(c(c1)C(=N)N)F AB18318 [1,1,0,0,0,0|1,0,1]=4 218 B10R1.61 c1ccc(c(c1)C(=N)N)O AB55085 [1,1,0,0,0,0|1,0,1]=4 219 B10R1.61 c1ccc(c(c1)C(=S)N)Br AB21272 [1,1,0,0,0,0|1,0,1]=4 220 B10R1.61 c1ccc(c(c1)C(=S)N)Cl AB01839 [1,1,0,0,0,0|1,0,1]=4 221 B10R1.61 c1ccc(c(c1)C(=S)N)N AB07816 [1,1,0,0,0,0|1,0,1]=4 222 B10R1.113 CC(C)c1cc(ccn1)O MB11626 [1,1,0,0,0,0|1,0,0]=3 223 B10R1.113 CC(C)c1cc(cnc1)Br MB14162 [1,1,0,0,0,0|1,0,0]=3 224 B10R1.113 CC(C)c1cc(cnc1)O MB22682 [1,1,0,0,0,0|1,0,0]=3 225 B10R1.113 CC(C)c1cc(ncn1)Br MB09511 [1,1,0,0,0,0|2,0,0]=4 226 B10R1.113 CC(C)c1cc(ncn1)Cl AB51366 [1,1,0,0,0,0|2,0,0]=4 227 B10R1.113 CC(C)c1cc(ncn1)N AB54959 [1,1,0,0,0,0|2,0,0]=4 228 B10R1.113 CC(C)c1cc(ncn1)O AB54885 [1,1,0,0,0,0|2,0,0]=4 229 B10R1.113 CC(C)c1cccc(n1)Br MB09496 [1,1,0,0,0,0|1,0,0]=3 230 B10R1.113 CC(C)c1ccnc(c1)Cl MB13722 [1,1,0,0,0,0|1,0,0]=3 231 B10R1.113 CC(C)c1nccc(n1)Br AB63999 [1,1,0,0,0,0|2,0,0]=4 232 B10R1.113 CC(C)c1nccc(n1)Cl AB51255 [1,1,0,0,0,0|2,0,0]=4 233 B10R1.113 CC(c1cc(cnc1)Br)N AB41075 [1,1,0,0,0,0|1,0,0]=3 234 B10R1.113 CC(c1cccc(n1)Br)N AB67302 [1,1,0,0,0,0|1,0,0]=3 235 B10R1.113 CC(c1cccc(n1)Cl)N AB67350 [1,1,0,0,0,0|1,0,0]=3 236 B10R1.113 CC(c1ccnc(c1)Cl)N AB67353 [1,1,0,0,0,0|1,0,0]=3 237 B10R1.113 CN(C)c1cc(ccn1)Br AB64930 [1,1,0,0,0,0|2,0,0]=4 238 B10R1.113 CN(C)c1cc(ccn1)Cl AB49336 [1,1,0,0,0,0|2,0,0]=4 239 B10R1.113 CN(C)c1cc(ccn1)O MB15076 [1,1,0,0,0,0|2,0,0]=4 240 B10R1.113 CN(C)c1cc(cnc1)Br MB12044 [1,1,0,0,0,0|2,0,0]=4 241 B10R1.113 CN(C)c1cc(cnc1)O MB24985 [1,1,0,0,0,0|2,0,0]=4 242 B10R1.113 CN(C)c1cccc(n1)Br AB54123 [1,1,0,0,0,0|2,0,0]=4 243 B10R1.113 CN(C)c1cccc(n1)Cl AB67484 [1,1,0,0,0,0|2,0,0]=4 244 B10R1.113 CN(C)c1ccnc(c1)Br CB11468 [1,1,0,0,0,0|2,0,0]=4 245 B10R1.113 CN(C)c1ccnc(c1)Cl MB06813 [1,1,0,0,0,0|2,0,0]=4 246 B10R1.113 C[C@@H](c1cccc(c1)N)N AB29091 [1,1,0,0,0,0|0,0,0]=2 247 B10R1.113 C[C@@H](c1ccnc(c1)Cl)N AB49742 [1,1,0,0,0,0|1,0,0]=3 248 B10R1.113 C[C@H](c1cccc(c1)O)N AB21156 [1,1,0,0,0,0|0,0,0]=2 249 B10R1.113 C[C@H](c1ccnc(c1)Cl)N AB49740 [1,1,0,0,0,0|1,0,0]=3 250 B10R1.113 Cc1cc(ccn1)C(C)N AB66941 [1,1,0,0,0,0|1,0,0]=3 251 B10R1.113 Cc1cccc(c1)C(=N)N AB11452 [1,1,0,0,0,0|1,0,1]=4 252 B10R1.113 Cc1cccc(c1)C(=S)N AB08506 [1,1,0,0,0,0|1,0,1]=4 253 B10R1.113 Cc1cccc(n1)C(C)N AB25816 [1,1,0,0,0,0|1,0,0]=3 254 B10R1.113 Cc1ccnc(n1)C(C)N AB59470 [1,1,0,0,0,0|2,0,0]=4 255 B10R1.113 c1cc(cc(c1)Br)C(=N)N AB18330 [1,1,0,0,0,0|1,0,1]=4 256 B10R1.113 c1cc(cc(c1)Br)C(=O)N MB00265 [1,1,0,0,0,0|1,0,1]=4 257 B10R1.113 c1cc(cc(c1)Br)C(=S)N AB21268 [1,1,0,0,0,0|1,0,1]=4 258 B10R1.113 c1cc(cc(c1)Cl)C(=S)N AB05898 [1,1,0,0,0,0|1,0,1]=4 259 B10R1.113 c1cc(cc(c1)F)C(=N)N AB18313 [1,1,0,0,0,0|1,0,1]=4 260 B10R1.113 c1cc(cc(c1)F)C(=S)N AB21276 [1,1,0,0,0,0|1,0,1]=4 261 B10R1.113 c1cc(cc(c1)N)C(=N)N AB01115 [1,1,0,0,0,0|1,0,1]=4 262 B10R1.113 c1cc(cc(c1)N)C(=S)N AB21283 [1,1,0,0,0,0|1,0,1]=4 263 B10R1.113 c1cc(cc(c1)O)C(=N)N AB55570 [1,1,0,0,0,0|1,0,1]=4 264 B10R1.113 c1cc(cc(c1)O)C(=O)N MB00281 [1,1,0,0,0,0|1,0,1]=4 265 B10R1.1 C#CCc1ccc(cc1)Br AB61388 [1,1,0,0,0,0|1,0,1]=4 266 B10R1.1 C#CCc1ccc(cc1)Cl AB61380 [1,1,0,0,0,0|1,0,1]=4 267 B10R1.1 C#CCc1ccc(cc1)F AB61384 [1,1,0,0,0,0|1,0,1]=4 268 B10R1.1 C#CCc1ccc(cc1)I AB73225 [1,1,0,0,0,0|1,0,1]=4 269 B10R1.1 Cc1ccc(cc1)CC=O AB02059 [1,1,0,0,0,0|1,0,1]=4 270 B10R1.1 Cc1ccc(cn1)CCN AB55173 [1,1,0,0,0,0|1,0,0]=3 271 B10R1.1 Cc1ccc(nc1)CCN AB31467 [1,1,0,0,0,0|1,0,0]=3 272 B10R1.1 Cc1cnc(cn1)CCN AB69468 [1,1,0,0,0,0|2,0,0]=4 273 B10R1.1 Cc1cnc(nc1)CCN AB59260 [1,1,0,0,0,0|2,0,0]=4 274 B10R1.1 Cc1ncc(cn1)CCN AB59372 [1,1,0,0,0,0|2,0,0]=4 275 B10R1.1 c1c(cnc(n1)CCN)Cl AB58674 [1,1,0,0,0,0|2,0,0]=4 276 B10R1.1 c1c(cnc(n1)CCN)F AB59267 [1,1,0,0,0,0|2,0,0]=4 277 B10R1.1 c1c(cnc(n1)Cl)CCN AB59374 [1,1,0,0,0,0|2,0,0]=4 278 B10R1.1 c1c(ncc(n1)Cl)CCN AB69471 [1,1,0,0,0,0|2,0,0]=4 279 B10R1.1 c1cc(ccc1CC#N)F AB00175 [1,1,0,0,0,0|0,0,2]=4 280 B10R1.1 c1cc(ccc1CC=O)Br AB11790 [1,1,0,0,0,0|1,0,1]=4 281 B10R1.1 c1cc(ccc1CC=O)Cl AB11793 [1,1,0,0,0,0|1,0,1]=4 282 B10R1.1 c1cc(ccc1CC=O)F AB11805 [1,1,0,0,0,0|1,0,1]=4 283 B10R1.1 c1cc(ccc1CC=O)N AB27688 [1,1,0,0,0,0|1,0,1]=4 284 B10R1.1 c1cc(ccc1CCBr)N MB02970 [1,1,0,0,0,0|1,0,0]=3 285 B10R1.1 c1cc(ccc1CCN)Br AB00934 [1,1,0,0,0,0|0,0,0]=2 286 B10R1.1 c1cc(ccc1CCN)Cl AB28066 [1,1,0,0,0,0|0,0,0]=2 287 B10R1.1 c1cc(ccc1CCN)F AB03730 [1,1,0,0,0,0|0,0,0]=2 288 B10R1.1 c1cc(ccc1CCN)N AB00936 [1,1,0,0,0,0|0,0,0]=2 289 B10R1.1 c1cc(ccc1CCO)Br AB00280 [1,1,0,0,0,0|1,0,0]=3 290 B10R1.1 c1cc(ccc1CNN)Br PB32548 [1,1,0,0,0,0|1,0,0]=3 291 B10R1.1 c1cc(ccc1CNN)Cl PB29444 [1,1,0,0,0,0|1,0,0]=3 292 B10R1.1 c1cc(ccc1CNN)F PB20964 [1,1,0,0,0,0|1,0,0]=3 293 B10R1.1 c1cc(ncc1Br)CCN PB20258 [1,1,0,0,0,0|1,0,0]=3 294 B10R1.1 c1cc(ncc1Br)CCO PB14792 [1,1,0,0,0,0|2,0,0]=4 295 B10R1.1 c1cc(ncc1CCBr)Br AB72326 [1,1,0,0,0,0|2,0,0]=4 296 B10R1.1 c1cc(ncc1CCBr)Cl AB72323 [1,1,0,0,0,0|2,0,0]=4 297 B10R1.1 c1cc(ncc1CCN)Br AB45460 [1,1,0,0,0,0|1,0,0]=3 298 B10R1.1 c1cc(ncc1CCN)Cl AB45438 [1,1,0,0,0,0|1,0,0]=3 299 B10R1.1 c1cc(ncc1CCN)N AB76809 [1,1,0,0,0,0|1,0,0]=3 300 B10R1.1 c1cc(ncc1Cl)CCN AB65492 [1,1,0,0,0,0|1,0,0]=3 301 B10R1.1 c1cc(ncc1F)CCN AB45484 [1,1,0,0,0,0|1,0,0]=3 302 B10R1.1 c1cc(ncc1N)CCN AB67762 [1,1,0,0,0,0|1,0,0]=3 303 B10R1.1 c1cc(ncc1O)CCN AB67805 [1,1,0,0,0,0|1,0,0]=3 304 B10R1.4 Cc1c(cccn1)CCN AB66943 [1,1,0,0,0,0|1,0,0]=3 305 B10R1.4 Cc1ccccc1CC=O AB11813 [1,1,0,0,0,0|1,0,1]=4 306 B10R1.4 Cc1cccnc1CCN AB31462 [1,1,0,0,0,0|1,0,0]=3 307 B10R1.4 Cc1ccncc1CCN AB55157 [1,1,0,0,0,0|1,0,0]=3 308 B10R1.4 c1cc(c(nc1)Br)CCN AB45464 [1,1,0,0,0,0|1,0,0]=3 309 B10R1.4 c1cc(c(nc1)CCN)Br PB14588 [1,1,0,0,0,0|1,0,0]=3 310 B10R1.4 c1cc(c(nc1)CCN)F AB45483 [1,1,0,0,0,0|1,0,0]=3 311 B10R1.4 c1cc(c(nc1)CCO)F AB55231 [1,1,0,0,0,0|2,0,0]=4 312 B10R1.4 c1cc(c(nc1)Cl)CCN AB45428 [1,1,0,0,0,0|1,0,0]=3 313 B10R1.4 c1ccc(c(c1)CC#N)Br AB00169 [1,1,0,0,0,0|0,0,2]=4 314 B10R1.4 c1ccc(c(c1)CC#N)F AB00172 [1,1,0,0,0,0|0,0,2]=4 315 B10R1.4 c1ccc(c(c1)CCN)N AB22073 [1,1,0,0,0,0|0,0,0]=2 316 B10R1.4 c1ccc(c(c1)CCN)O MB00877 [1,1,0,0,0,0|0,0,0]=2 317 B10R1.4 c1ccc(c(c1)CNN)Br PB27972 [1,1,0,0,0,0|1,0,0]=3 318 B10R1.4 c1ccc(c(c1)CNN)Cl PB29439 [1,1,0,0,0,0|1,0,0]=3 319 B10R1.4 c1ccc(c(c1)CNN)F PB23531 [1,1,0,0,0,0|1,0,0]=3 320 B10R1.4 c1cncc(c1Br)CCN AB45481 [1,1,0,0,0,0|1,0,0]=3 321 B10R1.4 c1cncc(c1Cl)CCN AB68002 [1,1,0,0,0,0|1,0,0]=3 322 B10R1.4 c1cncc(c1F)CCN AB55177 [1,1,0,0,0,0|1,0,0]=3 323 B10R1.10 C#CCc1cccc(c1)Br AB61399 [1,1,0,0,0,0|1,0,1]=4 324 B10R1.10 C#CCc1cccc(c1)Cl AB61396 [1,1,0,0,0,0|1,0,1]=4 325 B10R1.10 C#CCc1cccc(c1)I AB73228 [1,1,0,0,0,0|1,0,1]=4 326 B10R1.10 CCCc1cccc(n1)N AB03673 [1,1,0,0,0,0|2,0,0]=4 327 B10R1.10 CCCc1ccnc(c1)N AB03633 [1,1,0,0,0,0|2,0,0]=4 328 B10R1.10 Cc1cc(ccn1)CCN AB55165 [1,1,0,0,0,0|1,0,0]=3 329 B10R1.10 Cc1cc(cnc1)CCN AB55190 [1,1,0,0,0,0|1,0,0]=3 330 B10R1.10 Cc1cc(ncn1)CCN AB64311 [1,1,0,0,0,0|2,0,0]=4 331 B10R1.10 Cc1cccc(c1)CC=O AB11815 [1,1,0,0,0,0|1,0,1]=4 332 B10R1.10 Cc1cccc(n1)CCN AB17067 [1,1,0,0,0,0|1,0,0]=3 333 B10R1.10 Cc1ccnc(n1)CCN AB59280 [1,1,0,0,0,0|2,0,0]=4 334 B10R1.10 c1c(cncc1Br)CCN AB41071 [1,1,0,0,0,0|1,0,0]=3 335 B10R1.10 c1c(cncc1Br)CNN PB37854 [1,1,0,0,0,0|2,0,0]=4 336 B10R1.10 c1c(cncc1Cl)CCN AB67621 [1,1,0,0,0,0|1,0,0]=3 337 B10R1.10 c1c(cncc1F)CCN AB55166 [1,1,0,0,0,0|1,0,0]=3 338 B10R1.10 c1c(cncc1N)CCN AB67760 [1,1,0,0,0,0|1,0,0]=3 339 B10R1.10 c1c(nc(cn1)Cl)CCN AB69954 [1,1,0,0,0,0|2,0,0]=4 340 B10R1.10 c1c(ncnc1Cl)CCN AB51553 [1,1,0,0,0,0|2,0,0]=4 341 B10R1.10 c1cc(cc(c1)Br)CC#N AB00173 [1,1,0,0,0,0|0,0,2]=4 342 B10R1.10 c1cc(cc(c1)Br)CC=O AB11787 [1,1,0,0,0,0|1,0,1]=4 343 B10R1.10 c1cc(cc(c1)Br)CCN AB08439 [1,1,0,0,0,0|0,0,0]=2 344 B10R1.10 c1cc(cc(c1)Br)CNN PB10474 [1,1,0,0,0,0|1,0,0]=3 345 B10R1.10 c1cc(cc(c1)Cl)CC=O AB11792 [1,1,0,0,0,0|1,0,1]=4 346 B10R1.10 c1cc(cc(c1)Cl)CCN AB02072 [1,1,0,0,0,0|0,0,0]=2 347 B10R1.10 c1cc(cc(c1)Cl)CNN PB23504 [1,1,0,0,0,0|1,0,0]=3 348 B10R1.10 c1cc(cc(c1)F)CC=O AB11802 [1,1,0,0,0,0|1,0,1]=4 349 B10R1.10 c1cc(cc(c1)F)CNN PB22082 [1,1,0,0,0,0|1,0,0]=3 350 B10R1.10 c1cc(cc(c1)N)CC#N AB13852 [1,1,0,0,0,0|0,0,2]=4 351 B10R1.10 c1cc(cc(c1)N)CCN AB22060 [1,1,0,0,0,0|0,0,0]=2 352 B10R1.10 c1cc(cc(c1)O)CC#N AB13855 [1,1,0,0,0,0|0,0,2]=4 353 B10R1.10 c1cc(nc(c1)Br)CCN AB45432 [1,1,0,0,0,0|1,0,0]=3 354 B10R1.10 c1cc(nc(c1)Br)CCO CB11431 [1,1,0,0,0,0|2,0,0]=4 355 B10R1.10 c1cc(nc(c1)Cl)CCN AB67354 [1,1,0,0,0,0|1,0,0]=3 356 B10R1.10 c1cc(nc(c1)F)CCN AB45492 [1,1,0,0,0,0|1,0,0]=3 357 B10R1.10 c1cc(nc(c1)F)CCO AB55227 [1,1,0,0,0,0|2,0,0]=4 358 B10R1.10 c1cc(nc(c1)N)CCN AB55667 [1,1,0,0,0,0|1,0,0]=3 359 B10R1.10 c1cnc(cc1Br)CCN AB55853 [1,1,0,0,0,0|1,0,0]=3 360 B10R1.10 c1cnc(cc1CCBr)F AB72866 [1,1,0,0,0,0|2,0,0]=4 361 B10R1.10 c1cnc(cc1CCN)Br AB45468 [1,1,0,0,0,0|1,0,0]=3 362 B10R1.10 c1cnc(cc1CCN)Cl AB45448 [1,1,0,0,0,0|1,0,0]=3 363 B10R1.10 c1cnc(cc1CCN)F AB55184 [1,1,0,0,0,0|1,0,0]=3 364 B10R1.10 c1cnc(cc1Cl)CCN AB65496 [1,1,0,0,0,0|1,0,0]=3 365 B10R1.10 c1cnc(cc1F)CCN AB55195 [1,1,0,0,0,0|1,0,0]=3 366 B10R1.10 c1cnc(nc1CCN)Cl AB76813 [1,1,0,0,0,0|2,0,0]=4 367 B10R1.10 c1cnc(nc1Cl)CCN AB58890 [1,1,0,0,0,0|2,0,0]=4 368 B10R1.10 c1cnc(nc1N)CCN AB59298 [1,1,0,0,0,0|2,0,0]=4 369 B10R1.10 c1cnc(nc1O)CCN AB59283 [1,1,0,0,0,0|2,0,0]=4 370 B10R1.17 CNCCc1cccnc1 AB10676 [1,1,0,0,0,0|1,0,0]=3 371 B10R1.17 CNCCc1ccncc1 AB02055 [1,1,0,0,0,0|1,0,0]=3 372 B10R1.17 c1cc(cnc1)CCC=O AB57626 [1,1,0,0,0,0|2,0,0]=4 373 B10R1.17 c1cc(cnc1)CCCN AB54556 [1,1,0,0,0,0|1,0,0]=3 374 B10R1.17 c1ccc(cc1)CCC=O AB00823 [1,1,0,0,0,0|1,0,0]=3 375 B10R1.17 c1ccc(cc1)CCCN AB00940 [1,1,0,0,0,0|0,0,0]=2 376 B10R1.17 c1ccnc(c1)CCC=O AB57635 [1,1,0,0,0,0|2,0,0]=4 377 B10R1.17 c1ccnc(c1)CCCN AB30458 [1,1,0,0,0,0|1,0,0]=3 378 B10R1.17 c1ccnc(c1)CCCO PB12987 [1,1,0,0,0,0|2,0,0]=4 379 B10R1.17 c1ccnc(c1)OCCN AB03271 [1,1,0,0,0,0|1,0,0]=3 380 B10R1.17 c1cnc(nc1)NCCN AB49586 [1,1,0,0,0,0|2,0,0]=4 381 B10R1.17 c1cnccc1CCC=O AB49299 [1,1,0,0,0,0|2,0,0]=4 382 B10R1.17 c1cnccc1CCCN AB43583 [1,1,0,0,0,0|1,0,0]=3 383 B10R1.18 B(Cc1ccccc1)(O)O AB08328 [1,1,0,0,0,0|2,0,0]=4 384 B10R1.18 CC(Cc1ccccn1)N AB12969 [1,1,0,0,0,0|1,0,0]=3 385 B10R1.18 CC(Cc1cccnc1)N AB23775 [1,1,0,0,0,0|1,0,0]=3 386 B10R1.18 CC(Cc1ccncc1)N AB28531 [1,1,0,0,0,0|1,0,0]=3 387 B10R1.18 CC(Cc1cnccn1)N AB28467 [1,1,0,0,0,0|2,0,0]=4 388 B10R1.18 C[C@@H](Cc1ccccc1)N AB03711 [1,1,0,0,0,0|0,0,0]=2 389 B10R1.18 C[C@H](Cc1ccccc1)N AB07478 [1,1,0,0,0,0|0,0,0]=2 390 B10R1.18 c1ccc(cc1)CC(=N)N AB29087 [1,1,0,0,0,0|0,0,1]=3 391 B12R1.32 CN(CCN)Cc1ccccc1 MB02567 [0,1,0,0,0,1|1,0,0]=3 392 B12R1.49 CC(CN)Oc1ccc(cc1)Br AB38871 [0,1,0,0,0,1|0,0,0]=2 393 B12R1.49 CC(CN)Oc1ccc(cc1)Cl AB38863 [0,1,0,0,0,1|0,0,0]=2 394 B12R1.49 CC(CN)Oc1ccc(cc1)F AB12553 [0,1,0,0,0,1|0,0,0]=2 395 B12R1.49 Cc1ccc(cc1)OC(C)CN AB16399 [0,1,0,0,0,1|0,0,0]=2 396 B12R1.49 Cc1ccc(cn1)OC(C)CN AB38918 [0,1,0,0,0,1|1,0,0]=3 397 B12R1.49 c1cc(ccc1C[C@@H](CO)N)O MB00396 [0,1,0,0,0,1|2,0,0]=4 398 B12R1.50 CC(CN)Oc1cccc(c1)Br AB38868 [0,1,0,0,0,1|0,0,0]=2 399 B12R1.50 CC(CN)Oc1cccc(c1)Cl AB38860 [0,1,0,0,0,1|0,0,0]=2 400 B12R1.50 CC(CN)Oc1cccc(c1)F AB23638 [0,1,0,0,0,1|0,0,0]=2 401 B12R1.50 Cc1cccc(c1)OC(C)CN AB23642 [0,1,0,0,0,1|0,0,0]=2 402 B12R1.371 CC(CN)Oc1ccccc1Br AB38866 [0,1,0,0,0,1|0,0,0]=2 403 B12R1.371 CC(CN)Oc1ccccc1Cl AB16403 [0,1,0,0,0,1|0,0,0]=2 404 B12R1.371 CC(CN)Oc1ccccc1F AB23635 [0,1,0,0,0,1|0,0,0]=2 405 B12R1.371 Cc1ccccc1OC(C)CN AB23640 [0,1,0,0,0,1|0,0,0]=2 406 B12R1.9 CC(C)(C#N)c1ccc(cc1)N PB13096 [0,2,0,0,0,0|0,0,2]=4 407 B12R1.9 CC(C)(CN)c1ccc(nc1)Cl AB67359 [0,2,0,0,0,0|1,0,0]=3 408 B12R1.9 CC(CN)(c1ccc(cc1)Cl)O AB31025 [0,2,0,0,0,0|0,0,0]=2 409 B12R1.9 CC(CN)(c1ccc(cc1)Cl)O AB49882 [0,2,0,0,0,0|0,0,0]=2 410 B12R1.9 Cc1ccc(cc1)C(CN)(F)F AB84703 [0,2,0,0,0,0|1,0,0]=3 411 B12R1.9 c1cc(ccc1C(CN)(F)F)Br AB76208 [0,2,0,0,0,0|1,0,0]=3 412 B12R1.9 c1cc(ccc1C(CN)(F)F)Cl AB76550 [0,2,0,0,0,0|1,0,0]=3 413 B12R1.9 c1cc(ccc1C(CN)(F)F)F AB76475 [0,2,0,0,0,0|1,0,0]=3 414 B12R1.10 CC(C)(CN)c1cccc(n1)Cl AB67358 [0,2,0,0,0,0|1,0,0]=3 415 B12R1.10 CC(C)(CN)c1ccnc(c1)Cl AB67361 [0,2,0,0,0,0|1,0,0]=3 416 B12R1.10 Cc1cc(ccn1)C(C)(C)CN AB66955 [0,2,0,0,0,0|1,0,0]=3 417 B12R1.10 Cc1cccc(c1)C(CN)(F)F AB84700 [0,2,0,0,0,0|1,0,0]=3 418 B12R1.10 Cc1cccc(n1)C(C)(C)CN AB66950 [0,2,0,0,0,0|1,0,0]=3 419 B12R1.10 c1cc(cc(c1)Br)C(CN)(F)F AB76206 [0,2,0,0,0,0|1,0,0]=3 420 B12R1.10 c1cc(cc(c1)Cl)C(CN)(F)F AB76544 [0,2,0,0,0,0|1,0,0]=3 421 B12R1.10 c1cc(cc(c1)F)C(CN)(F)F AB76537 [0,2,0,0,0,0|1,0,0]=3 422 B12R1.39 c1ccc(cc1)C(CCN)(F)F AB68672 [0,2,0,0,0,0|1,0,0]=3 423 B12R1.253 CC(c1ccccc1)(C(=O)O)N AB04677 [0,2,0,0,0,0|1,0,1]=4 424 B12R1.253 C[C@@](c1ccccc1)(C(=O)O)N AB33357 [0,2,0,0,0,0|1,0,1]=4 425 B12R1.253 C[C@@](c1ccccc1)(C(=O)O)O AB02735 [0,2,0,0,0,0|1,0,1]=4 426 B12R1.253 C[C@](c1ccccc1)(C(=O)O)N AB33354 [0,2,0,0,0,0|1,0,1]=4 427 B12R1.253 C[C@](c1ccccc1)(C(=O)O)O AB02737 [0,2,0,0,0,0|1,0,1]=4 428 B12R1.478 CN(C)C(C#N)c1ccccc1 MB00227 [0,2,0,0,0,0|0,0,2]=4 429 B12R1.478 CNC(c1ccccc1)C(=O)O AB08751 [0,2,0,0,0,0|1,0,1]=4 430 B12R1.478 c1cc(cnc1)C(CN)C(=O)O AB16159 [0,2,0,0,0,0|1,0,1]=4 431 B12R1.478 c1ccc(cc1)C(CN)C(=O)O AB11929 [0,2,0,0,0,0|0,0,1]=3 432 B12R1.478 c1ccc(cc1)[C@H](CN)C(=O)O AB62462 [0,2,0,0,0,0|0,0,1]=3 433 B12R1.478 c1ccnc(c1)C(CN)C(=O)O AB62452 [0,2,0,0,0,0|1,0,1]=4 434 B12R1.478 c1cnccc1C(CN)C(=O)O AB62451 [0,2,0,0,0,0|1,0,1]=4 435 B12R1.16 c1cc(ccc1C(CCO)N)Br AB20223 [0,2,0,0,0,0|2,0,0]=4 436 B12R1.16 c1cc(ccc1C(CCO)N)Cl AB14423 [0,2,0,0,0,0|2,0,0]=4 437 B12R1.16 c1cc(ccc1C(CCO)N)F AB14430 [0,2,0,0,0,0|2,0,0]=4 438 B12R1.30 CN(CCCN)c1ccccc1 AB04605 [0,2,0,0,0,0|1,0,0]=3 439 B12R1.30 CN(CCCN)c1ccccn1 AB60649 [0,2,0,0,0,0|2,0,0]=4 440 B12R1.30 CNCCC(c1ccccc1)O AB06932 [0,2,0,0,0,0|1,0,0]=3 441 B12R1.107 c1ccc(cc1)C(CC(=O)O)N AB00922 [0,2,0,0,0,0|2,0,0]=4 442 B12R1.107 c1ccc(cc1)[C@@H](CC(=O)O)N AB08206 [0,2,0,0,0,0|2,0,0]=4 443 B12R1.308 c1ccc(c(c1)C(CCO)N)Cl AB14424 [0,2,0,0,0,0|2,0,0]=4 444 B12R1.5 C[C@H](CN)c1ccc(cc1)OC AB85099 [0,2,0,0,0,0|0,0,0]=2 445 B12R1.20 C[C@H]([C@H](c1ccc(cc1)O)O)N MB00597 [0,2,0,0,0,0|1,0,0]=3 446 B12R1.1703 c1cc(c(cc1Cl)Cl)C(=O)CN CB10300 [0,2,0,0,0,0|1,0,1]=4 447 B12R1.225 CC(c1cccc(c1)Cl)C(=O)O AB14392 [0,2,0,0,0,0|1,0,1]=4 448 B12R1.225 C[C@@H](c1cccc(c1)O)N(C)C MB03878 [0,2,0,0,0,0|2,0,0]=4 449 B12R1.358 c1c(cc(cc1Cl)Cl)C(CO)N AB12436 [0,2,0,0,0,0|2,0,0]=4 450 B12R1.435 C[C@H](CN)c1cccc(c1)OC AB85100 [0,2,0,0,0,0|0,0,0]=2 451 B12R1.564 c1ccc(cc1)C(C(F)(F)F)N AB07860 [0,2,0,0,0,0|2,0,0]=4 452 B12R1.564 c1ccc(cc1)[C@@H](C(F)(F)F)N AB27669 [0,2,0,0,0,0|2,0,0]=4 453 B12R1.564 c1ccc(cc1)[C@H](C(F)(F)F)N AB27666 [0,2,0,0,0,0|2,0,0]=4 454 B10R2.6 c1cnc(nc1)C2CC2 PB25710 [1,0,0,1,0,0|2,0,0]=4 455 B10R2.7 c1c2c(ncn1)NCC2 AB68426 [1,0,0,1,0,0|2,0,0]=4 456 B10R2.7 c1cc2c(nc1)NCC2 PB34146 [1,0,0,1,0,0|1,0,0]=3 457 B10R2.7 c1ccc2c(c1)CNC2 MB01342 [1,0,0,1,0,0|2,0,0]=4 458 B10R2.7 c1ccc2c(c1)CNN2 AB31648 [1,0,0,1,0,0|1,0,0]=3 459 B10R2.7 c1cnc2c(n1)CCN2 AB75473 [1,0,0,1,0,0|2,0,0]=4 460 B12R2.18 c1ccc2c(c1)C[C@H]([C@H]2N)O PB33868 [0,0,0,1,0,1|1,0,0]=3 461 B12R2.24 CC1CNc2ccccc2O1 AB30912 [0,0,0,1,0,1|0,0,0]=2 462 B12R2.24 CC1COc2ccccc2N1 AB10564 [0,0,0,1,0,1|1,0,0]=3 463 B12R2.24 CC1Cc2ccccc2CN1 AB30586 [0,0,0,1,0,1|2,0,0]=4 464 B12R2.24 C[C@H]1Cc2ccccc2CN1 AB39365 [0,0,0,1,0,1|2,0,0]=4 465 B12R2.24 c1ccc2c(c1)CC(CO2)N AB18483 [0,0,0,1,0,1|2,0,0]=4 466 B12R2.24 c1ccc2c(c1)CC(CS2)N AB18484 [0,0,0,1,0,1|2,0,0]=4 467 B12R2.24 c1ccc2c(c1)CCC(C2)N AB02010 [0,0,0,1,0,1|2,0,0]=4 468 B12R2.24 c1ccc2c(c1)C[C@@H](CO2)N AB56580 [0,0,0,1,0,1|2,0,0]=4 469 B12R2.24 c1ccc2c(c1)C[C@H](CO2)N AB56598 [0,0,0,1,0,1|2,0,0]=4 470 B12R2.24 c1ccc2c(c1)NCC(=O)N2 AB04744 [0,0,0,1,0,1|1,0,1]=4 471 B12R2.32 c1ccc2c(c1)CC(C2)CN AB18567 [0,0,0,1,0,1|0,0,0]=2 472 B12R2.32 c1ccc2c(c1)CC(C2)CO MB05939 [0,0,0,1,0,1|1,0,0]=3 473 B12R2.32 c1ccc2c(c1)cc(s2)CN AB13993 [0,0,0,1,0,1|0,0,2]=4 474 B12R2.32 c1ccc2c(c1)nc(o2)CN AB16902 [0,0,0,1,0,1|1,0,1]=4 475 B12R2.32 c1ccc2c(c1)nc(s2)CN AB15872 [0,0,0,1,0,1|1,0,1]=4 476 B12R2.2058 c1cc(cnc1)OC2CNC2 MB07297 [0,0,0,1,0,1|1,0,0]=3 477 B12R2.2058 c1ccc(cc1)OC2CNC2 PB16142 [0,0,0,1,0,1|0,0,0]=2 478 B12R2.48 c1cc(cnc1)C2(CC2)CN AB63161 [0,1,0,1,0,0|1,0,0]=3 479 B12R2.48 c1ccc(cc1)C2(CC2)C=O AB62779 [0,1,0,1,0,0|1,0,1]=4 480 B12R2.48 c1ccc(cc1)C2(CC2)CN AB23375 [0,1,0,1,0,0|0,0,0]=2 481 B12R2.48 c1ccnc(c1)C2(CC2)CN AB63160 [0,1,0,1,0,0|1,0,0]=3 482 B12R2.48 c1cnccc1C2(CC2)CN AB65053 [0,1,0,1,0,0|1,0,0]=3 483 B12R2.116 c1cc(cnc1)C2(CCC2)N AB55049 [0,1,0,1,0,0|2,0,0]=4 484 B12R2.116 c1cc(cnc1)C2(COC2)N AB82488 [0,1,0,1,0,0|2,0,0]=4 485 B12R2.116 c1ccc(cc1)C2(CCC2)N AB45250 [0,1,0,1,0,0|1,0,0]=3 486 B12R2.116 c1ccc(cc1)C2(CNC2)O PB24509 [0,1,0,1,0,0|0,0,0]=2 487 B12R2.116 c1ccc(cc1)C2(COC2)N PB24350 [0,1,0,1,0,0|1,0,0]=3 488 B12R2.116 c1ccc(cc1)C2(COC2)O PB13884 [0,1,0,1,0,0|1,0,0]=3 489 B12R2.116 c1ccnc(c1)C2(COC2)N AB82501 [0,1,0,1,0,0|2,0,0]=4 490 B12R2.116 c1cnccc1C2(CCC2)N AB55050 [0,1,0,1,0,0|2,0,0]=4 491 B12R2.116 c1cnccc1C2(COC2)N AB82494 [0,1,0,1,0,0|2,0,0]=4 492 B12R2.235 c1ccc(cc1)[C@@]2(C[C@@H]2F)N MB69379 [0,1,0,1,0,0|1,0,0]=3 493 B12R2.235 c1ccc(cc1)[C@@]2(C[C@H]2N)F MB69387 [0,1,0,1,0,0|0,0,0]=2 494 B12R2.2403 CC1(CNc2c1cccc2)C PB13437 [0,1,0,1,0,0|0,0,0]=2 495 B12R2.2403 CC1(c2ccccc2CN1)C PB19698 [0,1,0,1,0,0|2,0,0]=4 496 B12R2.1 CNC1CCc2c1cccc2 AB49601 [0,1,0,1,0,0|1,0,0]=3 497 B12R2.1 CNC1CCc2c1cccn2 AB70125 [0,1,0,1,0,0|2,0,0]=4 498 B12R2.1 CNC1COc2c1cccn2 AB70122 [0,1,0,1,0,0|2,0,0]=4 499 B12R2.1 c1ccc2c(c1)C(CO2)CN AB56739 [0,1,0,1,0,0|0,0,0]=2 500 B12R2.1 c1ccc2c(c1)CCC2C#N AB53724 [0,1,0,1,0,0|0,0,2]=4 501 B12R2.1 c1ccc2c(c1)CCC2CN AB28113 [0,1,0,1,0,0|0,0,0]=2 502 B12R2.2 c1cc(cnc1)C2CCCN2 AB01223 [0,1,0,1,0,0|2,0,0]=4 503 B12R2.2 c1ccc(cc1)C2CCCN2 AB09387 [0,1,0,1,0,0|1,0,0]=3 504 B12R2.2 c1ccc(cc1)C2CCCO2 PB14199 [0,1,0,1,0,0|1,0,0]=3 505 B12R2.2 c1ccc(cc1)C2CCNC2 AB09982 [0,1,0,1,0,0|0,0,0]=2 506 B12R2.2 c1ccc(cc1)[C@@H]2CCNC2 AB29529 [0,1,0,1,0,0|0,0,0]=2 507 B12R2.2 c1ccc(cc1)[C@H]2CCCN2 AB29151 [0,1,0,1,0,0|1,0,0]=3 508 B12R2.2 c1ccc(cc1)[C@H]2CCNC2 AB29532 [0,1,0,1,0,0|0,0,0]=2 509 B12R2.2 c1ccnc(c1)C2CCCN2 PB23261 [0,1,0,1,0,0|2,0,0]=4 510 B12R2.2 c1ccnc(c1)C2CCNC2 AB10236 [0,1,0,1,0,0|1,0,0]=3 511 B12R2.2 c1ccnc(c1)[C@@H]2CCCN2 AB39377 [0,1,0,1,0,0|2,0,0]=4 512 B12R2.2 c1cnc(nc1)C2CCNC2 AB58641 [0,1,0,1,0,0|2,0,0]=4 513 B12R2.2 c1cnccc1C2CCCN2 AB10234 [0,1,0,1,0,0|2,0,0]=4 514 B12R2.2 c1cnccc1C2CCNC2 AB10240 [0,1,0,1,0,0|1,0,0]=3 515 B12R2.2 c1cnccc1[C@@H]2CCCN2 AB49753 [0,1,0,1,0,0|2,0,0]=4 516 B12R2.2 c1cnccc1[C@H]2CCCN2 AB49756 [0,1,0,1,0,0|2,0,0]=4 517 B12R2.22 c1ccc(cc1)C2CC(=O)C2 PB26115 [0,1,0,1,0,0|1,0,0]=3 518 B12R2.22 c1ccc(cc1)C2CC(=O)N2 AB10995 [0,1,0,1,0,0|1,0,1]=4 519 B12R2.22 c1ccc(cc1)C2CC(C2)N PB19234 [0,1,0,1,0,0|0,0,0]=2 520 B12R2.22 c1ccc(cc1)N2CC(C2)O PB37862 [0,1,0,1,0,0|2,0,0]=4 521 B12R2.22 c1ccc(cc1)[C@H]2C[C@@H](C2)N PB38990 [0,1,0,1,0,0|0,0,0]=2 522 B12R2.22 c1ccc(cc1)[C@H]2C[C@H](C2)N PB38200 [0,1,0,1,0,0|0,0,0]=2 523 B12R2.1081 CC1c2ccccc2CCN1 AB07224 [0,1,0,1,0,0|1,0,0]=3 524 B12R2.1081 c1ccc2c(c1)C(=O)CCN2 AB06711 [0,1,0,1,0,0|1,0,1]=4 525 B12R2.1081 c1ccc2c(c1)C(CCN2)N AB39305 [0,1,0,1,0,0|1,0,0]=3 526 B12R2.1081 c1ccc2c(c1)C(CCO2)N AB06995 [0,1,0,1,0,0|2,0,0]=4 527 B12R2.1081 c1ccc2c(c1)CCCC2N AB00150 [0,1,0,1,0,0|2,0,0]=4 528 B12R2.1081 c1ccc2c(c1)CCC[C@@H]2N AB06758 [0,1,0,1,0,0|2,0,0]=4 529 B12R2.1081 c1ccc2c(c1)CNCC2=O AB11544 [0,1,0,1,0,0|1,0,1]=4 530 B12R2.1081 c1ccc2c(c1)COCC2N PB29671 [0,1,0,1,0,0|2,0,0]=4 531 B12R2.1081 c1ccc2c(c1)COCC2O AB70306 [0,1,0,1,0,0|2,0,0]=4 532 B12R2.1081 c1ccc2c(c1)[C@@H](CCO2)N AB45531 [0,1,0,1,0,0|2,0,0]=4 533 B12R2.1081 c1ccc2c(c1)[C@H](CCO2)N AB29090 [0,1,0,1,0,0|2,0,0]=4 534 B12R2.2028 Cc1c2ccccc2n(n1)N MB14907 [0,1,0,1,0,0|1,0,1]=4 535 B12R2.2028 c1ccc2c(c1)C(CC2=O)Br MB07683 [0,1,0,1,0,0|2,0,0]=4 536 B12R2.2028 c1ccc2c(c1)C(CC2=O)N AB50544 [0,1,0,1,0,0|1,0,1]=4 537 B12R2.2075 c1ccc(cc1)C(C2CC2)N CB10839 [0,1,0,1,0,0|2,0,0]=4 538 B12R2.79 Cc1ccc(cc1)[C@@H]2C[C@H]2N MB69375 [0,1,0,1,0,0|0,0,0]=2 539 B12R2.79 c1cc(ccc1[C@@H]2C[C@H]2N)F MB69383 [0,1,0,1,0,0|0,0,0]=2 540 B12R2.290 Cc1ccc(cc1)C2(CC2)N AB32578 [0,1,0,1,0,0|2,0,0]=4 541 B12R2.290 c1cc(ccc1C2(CC2)N)Br AB39547 [0,1,0,1,0,0|2,0,0]=4 542 B12R2.290 c1cc(ccc1C2(CC2)N)Cl AB32576 [0,1,0,1,0,0|2,0,0]=4 543 B12R2.290 c1cc(ccc1C2(CC2)N)F AB39550 [0,1,0,1,0,0|2,0,0]=4 544 B12R2.612 CN1CCc2c1ccc(c2)N AB49440 [0,1,0,1,0,0|2,0,0]=4 545 B12R2.612 Cc1ccc2c(c1)CCC2N AB38267 [0,1,0,1,0,0|2,0,0]=4 546 B12R2.612 Cc1ccc2c(c1)CC[C@@H]2N AB38272 [0,1,0,1,0,0|2,0,0]=4 547 B12R2.612 Cc1ccc2c(c1)CC[C@H]2N AB38268 [0,1,0,1,0,0|2,0,0]=4 548 B12R2.612 c1cc2c(cc1Br)CCC2N AB38395 [0,1,0,1,0,0|2,0,0]=4 549 B12R2.612 c1cc2c(cc1Br)CCC2O AB30452 [0,1,0,1,0,0|2,0,0]=4 550 B12R2.612 c1cc2c(cc1Br)CC[C@@H]2N AB29101 [0,1,0,1,0,0|2,0,0]=4 551 B12R2.612 c1cc2c(cc1Br)CC[C@H]2N AB29099 [0,1,0,1,0,0|2,0,0]=4 552 B12R2.612 c1cc2c(cc1Br)OCC2N AB51059 [0,1,0,1,0,0|2,0,0]=4 553 B12R2.612 c1cc2c(cc1Cl)CCC2N AB38345 [0,1,0,1,0,0|2,0,0]=4 554 B12R2.612 c1cc2c(cc1Cl)CC[C@@H]2N AB38352 [0,1,0,1,0,0|2,0,0]=4 555 B12R2.612 c1cc2c(cc1Cl)CC[C@H]2N AB38349 [0,1,0,1,0,0|2,0,0]=4 556 B12R2.612 c1cc2c(cc1Cl)OCC2N AB56718 [0,1,0,1,0,0|2,0,0]=4 557 B12R2.612 c1cc2c(cc1F)CCC2N AB38284 [0,1,0,1,0,0|2,0,0]=4 558 B12R2.612 c1cc2c(cc1F)CC[C@@H]2N AB29094 [0,1,0,1,0,0|2,0,0]=4 559 B12R2.612 c1cc2c(cc1F)CC[C@H]2N AB29097 [0,1,0,1,0,0|2,0,0]=4 560 B12R2.612 c1cc2c(cc1F)OCC2N AB56716 [0,1,0,1,0,0|2,0,0]=4 561 B12R2.612 c1cc2c(cc1O)CC[C@H]2N AB43048 [0,1,0,1,0,0|2,0,0]=4 562 B12R2.132 CC1=c2cc(ccc2=NC1)Br AB17162 [0,1,0,1,0,0|0,0,2]=4 563 B12R2.132 CN1CCc2c1cc(cc2)N AB55966 [0,1,0,1,0,0|2,0,0]=4 564 B12R2.132 Cc1ccc2c(c1)C(CC2)N AB38275 [0,1,0,1,0,0|2,0,0]=4 565 B12R2.132 Cc1ccc2c(c1)[C@@H](CC2)N AB29147 [0,1,0,1,0,0|2,0,0]=4 566 B12R2.132 Cc1ccc2c(c1)[C@H](CC2)N AB29143 [0,1,0,1,0,0|2,0,0]=4 567 B12R2.132 c1cc2c(cc1Br)C(=O)CN2 AB27760 [0,1,0,1,0,0|1,0,1]=4 568 B12R2.132 c1cc2c(cc1Br)C(CC2)N AB38388 [0,1,0,1,0,0|2,0,0]=4 569 B12R2.132 c1cc2c(cc1Br)C(CO2)N AB27755 [0,1,0,1,0,0|2,0,0]=4 570 B12R2.132 c1cc2c(cc1Br)[C@@H](CC2)N PB13067 [0,1,0,1,0,0|2,0,0]=4 571 B12R2.132 c1cc2c(cc1Br)[C@H](CC2)N PB13072 [0,1,0,1,0,0|2,0,0]=4 572 B12R2.132 c1cc2c(cc1Cl)C(CC2)N AB38353 [0,1,0,1,0,0|2,0,0]=4 573 B12R2.132 c1cc2c(cc1Cl)C(CO2)N AB27750 [0,1,0,1,0,0|2,0,0]=4 574 B12R2.132 c1cc2c(cc1Cl)[C@@H](CC2)N AB38355 [0,1,0,1,0,0|2,0,0]=4 575 B12R2.132 c1cc2c(cc1Cl)[C@H](CC2)N AB38357 [0,1,0,1,0,0|2,0,0]=4 576 B12R2.132 c1cc2c(cc1F)C(CC2)N AB38286 [0,1,0,1,0,0|2,0,0]=4 577 B12R2.132 c1cc2c(cc1F)C(CO2)N AB27751 [0,1,0,1,0,0|2,0,0]=4 578 B12R2.132 c1cc2c(cc1F)[C@@H](CC2)N AB07709 [0,1,0,1,0,0|2,0,0]=4 579 B12R2.132 c1cc2c(cc1F)[C@H](CC2)N AB38290 [0,1,0,1,0,0|2,0,0]=4 580 B12R2.132 c1cc2c(cc1O)[C@@H](CC2)N PB30817 [0,1,0,1,0,0|2,0,0]=4 581 B12R2.132 c1cc2c(cc1O)[C@H](CC2)N PB32707 [0,1,0,1,0,0|2,0,0]=4 582 B12R2.196 CC1=c2cccc(c2=NC1)Cl AB44105 [0,1,0,1,0,0|0,0,2]=4 583 B12R2.196 Cc1cccc2c1CCC2N AB38262 [0,1,0,1,0,0|2,0,0]=4 584 B12R2.196 Cc1cccc2c1CC[C@@H]2N AB38266 [0,1,0,1,0,0|2,0,0]=4 585 B12R2.196 Cc1cccc2c1CC[C@H]2N AB38263 [0,1,0,1,0,0|2,0,0]=4 586 B12R2.196 c1cc2c(c(c1)Br)CCC2N AB38383 [0,1,0,1,0,0|2,0,0]=4 587 B12R2.196 c1cc2c(c(c1)Br)CC[C@@H]2N AB38387 [0,1,0,1,0,0|2,0,0]=4 588 B12R2.196 c1cc2c(c(c1)Br)CC[C@H]2N AB38385 [0,1,0,1,0,0|2,0,0]=4 589 B12R2.196 c1cc2c(c(c1)Cl)CCC2N AB38335 [0,1,0,1,0,0|2,0,0]=4 590 B12R2.196 c1cc2c(c(c1)Cl)CC[C@@H]2N AB38341 [0,1,0,1,0,0|2,0,0]=4 591 B12R2.196 c1cc2c(c(c1)Cl)CC[C@H]2N AB38338 [0,1,0,1,0,0|2,0,0]=4 592 B12R2.196 c1cc2c(c(c1)F)CCC2N AB38279 [0,1,0,1,0,0|2,0,0]=4 593 B12R2.196 c1cc2c(c(c1)F)CC[C@@H]2N AB38283 [0,1,0,1,0,0|2,0,0]=4 594 B12R2.196 c1cc2c(c(c1)F)CC[C@H]2N AB38282 [0,1,0,1,0,0|2,0,0]=4 595 B12R2.1282 Cc1cccc(c1)C2(CC2)N AB39572 [0,1,0,1,0,0|2,0,0]=4 596 B12R2.1282 c1cc(cc(c1)Br)C2(CC2)N AB39557 [0,1,0,1,0,0|2,0,0]=4 597 B12R2.1282 c1cc(cc(c1)Cl)C2(CC2)N AB39559 [0,1,0,1,0,0|2,0,0]=4 598 B12R2.1282 c1cc(cc(c1)F)C2(CC2)N AB39563 [0,1,0,1,0,0|2,0,0]=4 599 B12R2.2313 c1cc(cc(c1)Br)C2COC2 PB34845 [0,1,0,1,0,0|1,0,0]=3 600 B12R2.88 Cc1ccccc1C2(CC2)N AB39542 [0,1,0,1,0,0|2,0,0]=4 601 B12R2.88 c1ccc(c(c1)C2(CC2)N)Br AB39532 [0,1,0,1,0,0|2,0,0]=4 602 B12R2.88 c1ccc(c(c1)C2(CC2)N)Cl AB39536 [0,1,0,1,0,0|2,0,0]=4 603 B12R2.88 c1ccc(c(c1)C2(CC2)N)F AB39534 [0,1,0,1,0,0|2,0,0]=4 604 B8R1.7 CC(c1ccno1)N AB27932 [1,0,0,0,1,0|2,0,0]=4 605 B8R1.7 CC(c1ccoc1)N AB27902 [1,0,0,0,1,0|1,0,0]=3 606 B8R1.7 CC(c1ccoc1)N AB66830 [1,0,0,0,1,0|1,0,0]=3 607 B8R1.7 CC(c1cscn1)N AB27900 [1,0,0,0,1,0|2,0,0]=4 608 B8R1.7 CC(c1nccs1)N AB12719 [1,0,0,0,1,0|2,0,0]=4 609 B8R1.7 C[C@@H](c1nccs1)N AB66719 [1,0,0,0,1,0|2,0,0]=4 610 B8R1.7 C[C@H](c1nccs1)N AB68275 [1,0,0,0,1,0|2,0,0]=4 611 B8R1.8 c1c(con1)CCN AB28074 [1,0,0,0,1,0|2,0,0]=4 612 B8R1.8 c1c(ncs1)CCN AB45423 [1,0,0,0,1,0|2,0,0]=4 613 B8R1.8 c1cc(sc1)CCN PB12982 [1,0,0,0,1,0|1,0,0]=3 614 B8R1.8 c1cc(sc1)CCO PB32074 [1,0,0,0,1,0|2,0,0]=4 615 B8R1.8 c1cc(sc1)CNN PB12479 [1,0,0,0,1,0|2,0,0]=4 616 B8R1.8 c1ccn(c1)CCBr MB00850 [1,0,0,0,1,0|2,0,0]=4 617 B8R1.8 c1cn(cn1)CCN AB13191 [1,0,0,0,1,0|2,0,0]=4 618 B8R1.8 c1cnn(c1)CCN AB15836 [1,0,0,0,1,0|2,0,0]=4 619 B8R1.8 c1csc(n1)CCN AB28436 [1,0,0,0,1,0|2,0,0]=4 620 B8R1.8 c1csc(n1)CCN AB43209 [1,0,0,0,1,0|2,0,0]=4 621 B8R1.8 c1cscc1CCN PB24618 [1,0,0,0,1,0|1,0,0]=3 622 B8R1.8 c1cscc1CCO PB25903 [1,0,0,0,1,0|2,0,0]=4 623 B8R1.8 c1cscc1CNN PB25191 [1,0,0,0,1,0|2,0,0]=4 624 B12R1.27 C[C@H](CN)NCc1ccccc1 AB72049 [0,0,0,0,0,2|0,0,0]=2 625 B12R1.27 c1ccc(cc1)COC(=O)CN CB10135 [0,0,0,0,0,2|1,0,1]=4