0 B12R2.1081 c1cc2c(c(c1)I)nccn2 DA-38891 [0,0,0,0,0,0|1,0,0]=1 1 B12R2.1081 c1cc2c(ccnc2Br)nc1 DA-37927 [0,0,0,0,0,0|3,0,0]=3 2 B12R2.1081 c1cc2ccncc2c(c1)I DA-35434 [0,0,0,0,0,0|4,0,0]=4 3 B12R2.1081 c1cc2cncnc2c(c1)O DA-35410 [0,0,0,0,0,0|3,0,0]=3 4 B12R2.1081 c1ccc2c(c1)ccnc2F DA-29377 [0,0,0,0,0,0|4,0,0]=4 5 B12R2.1081 c1ccc2c(c1)ccnc2I DA-29296 [0,0,0,0,0,0|4,0,0]=4 6 B13R2.32 Cc1c(ccc2c1nccc2)N DA-35417 [0,1,0,0,0,0|1,0,0]=2 7 B13R2.32 Cc1c(ccc2c1nccn2)N DA-37091 [0,1,0,0,0,0|0,0,0]=1 8 B13R2.32 Cc1c(cnc2c1nccn2)N DA-35415 [0,1,0,0,0,0|1,0,0]=2 9 B13R2.32 c1cc2c(c(c(cn2)N)Cl)nc1 DA-39756 [0,1,0,0,0,0|3,0,0]=4 10 B13R2.32 c1cc2c(c(c1N)Cl)nccn2 DA-37463 [0,1,0,0,0,0|1,0,0]=2 11 B13R2.32 c1ccc2c(c1)ccc(c2Br)Br DA-30333 [0,1,0,0,0,0|3,0,0]=4 12 B13R2.162 Cc1cc2c(cccc2O)nc1 DA-23333 [0,1,0,0,0,0|2,0,0]=3 13 B13R2.162 Cc1ccc2c(n1)c(ccn2)Cl DA-35559 [0,1,0,0,0,0|3,0,0]=4 14 B13R2.162 c1cc2ccc(cc2c(c1)O)N DA-35839 [0,1,0,0,0,0|3,0,0]=4 15 B13R2.162 c1cc2ccc(nc2c(c1)Cl)Br DA-26747 [0,1,0,0,0,0|2,0,0]=3 16 B13R2.162 c1cc2ccc(nc2c(c1)O)I DA-26087 [0,1,0,0,0,0|2,0,0]=3 17 B13R2.328 Cc1cc(=O)[nH]c2c1cccn2 DA-39172 [0,1,0,0,0,0|2,0,0]=3 18 B13R2.328 Cc1cc(=O)c2c([nH]1)cccn2 DA-48282 [0,1,0,0,0,0|3,0,0]=4 19 B13R2.328 Cc1cc(c2c(n1)cccn2)Cl DA-23125 [0,1,0,0,0,0|3,0,0]=4 20 B13R2.328 Cc1cc(c2c(n1)cccn2)N DA-25964 [0,1,0,0,0,0|3,0,0]=4 21 B13R2.328 Cc1cc(c2c(n1)cccn2)O DA-28907 [0,1,0,0,0,0|3,0,0]=4 22 B13R2.328 Cc1cc(c2cccnc2n1)Cl DA-39679 [0,1,0,0,0,0|3,0,0]=4 23 B13R2.328 Cc1cc(cc2c1cncc2)O DA-35420 [0,1,0,0,0,0|3,0,0]=4 24 B13R2.328 Cc1cc(nc2c1cccn2)Cl DA-26558 [0,1,0,0,0,0|2,0,0]=3 25 B13R2.328 Cc1cc2ccccc2c(c1)Cl DA-29560 [0,1,0,0,0,0|3,0,0]=4 26 B13R2.328 Cc1cc2cncnc2c(c1)Br DA-35486 [0,1,0,0,0,0|3,0,0]=4 27 B13R2.328 c1cc2cc(cc(c2nc1)F)Br DA-36407 [0,1,0,0,0,0|2,0,0]=3 28 B13R2.328 c1ccc2c(c1)cc(cc2Br)Br DA-30282 [0,1,0,0,0,0|3,0,0]=4 29 B13R2.328 c1ccc2c(c1)cc(cc2Br)O DA-39801 [0,1,0,0,0,0|3,0,0]=4 30 B13R2.342 c1cc(c2nccc(=O)n2c1)O DA-35369 [0,1,0,0,0,0|3,0,0]=4 31 B13R2.342 c1cc2c(c(c1)O)nc[nH]c2=O DA-35438 [0,1,0,0,0,0|3,0,0]=4 32 B13R2.371 Cc1c[nH]c(=O)c2c1cccc2 DA-39181 [0,1,0,0,0,0|3,0,0]=4 33 B13R2.371 Cc1ccc(c2c1cccc2)N DA-39165 [0,1,0,0,0,0|2,0,0]=3 34 B13R2.371 Cc1ccc(c2c1cccn2)Br DA-35494 [0,1,0,0,0,0|1,0,0]=2 35 B13R2.371 c1cc2c(ccc(c2nc1)Br)O DA-35483 [0,1,0,0,0,0|2,0,0]=3 36 B13R2.1613 c1cc2c(ccnc2nc1)CO DA-40746 [0,1,0,0,0,0|2,0,0]=3 37 B13R2.1613 c1ccc2c(c1)cncc2CBr DA-47466 [0,1,0,0,0,0|3,0,0]=4 38 B13R2.4818 Cc1cccc2c1c(=O)[nH]cc2 DA-35427 [0,1,0,0,0,0|3,0,0]=4 39 B13R2.5179 Cc1ccc2c(=O)cc[nH]c2n1 DA-35597 [0,1,0,0,0,0|3,0,0]=4 40 B13R2.5179 Cc1ccc2c(ccnc2n1)N DA-35596 [0,1,0,0,0,0|3,0,0]=4 41 B13R2.5179 Cc1ccnc2c1ccc(=O)[nH]2 DA-37162 [0,1,0,0,0,0|2,0,1]=4 42 B13R2.5179 Cc1ncc2c(n1)cccc2O DA-25833 [0,1,0,0,0,0|3,0,0]=4 43 B13R2.5179 c1c[nH]c2cc(cnc2c1=O)Cl DA-35744 [0,1,0,0,0,0|3,0,0]=4 44 B13R2.5179 c1cc2cc(cnc2c(c1)Cl)Br DA-23933 [0,1,0,0,0,0|2,0,0]=3 45 B13R2.5179 c1cc2cc(cnc2c(c1)F)Br DA-23932 [0,1,0,0,0,0|2,0,0]=3 46 B11R1.17 Cc1ccccc1C=CCBr DA-31253 [0,0,1,0,0,0|2,0,1]=4 47 B11R1.24 Cc1cccc(c1)C=CCBr DA-31251 [0,0,1,0,0,0|2,0,1]=4 48 B11R1.53 C=Cc1cccnc1C(=O)O DA-23202 [0,0,1,0,0,0|3,0,0]=4 49 B11R1.605 Cc1cccc(c1N=C=S)F DA-29382 [0,0,1,0,0,0|2,0,1]=4 50 B11R2.1 Cc1c2c(cccn2)[nH]n1 DA-23399 [0,0,0,0,1,0|3,0,0]=4 51 B11R2.1 c1cc2c(ccn2N)nc1 DA-29330 [0,0,0,0,1,0|3,0,0]=4 52 B11R2.1 c1cc2ccn(c2nc1)N DA-29336 [0,0,0,0,1,0|3,0,0]=4 53 B11R2.106 Cc1c2c(ccn1)ccs2 DA-35577 [0,0,0,0,1,0|2,0,0]=3 54 B11R2.106 Cc1c2c(ccn1)cn[nH]2 DA-35593 [0,0,0,0,1,0|2,0,1]=4 55 B11R2.106 Cc1c2ccsc2ccn1 DA-39063 [0,0,0,0,1,0|2,0,0]=3 56 B11R2.106 Cc1ccnc2c1[nH]cc2 DA-35592 [0,0,0,0,1,0|1,0,1]=3 57 B11R2.106 c1cc(c2nncn2c1)N DA-42844 [0,0,0,0,1,0|3,0,0]=4 58 B11R2.106 c1cc2c(c(c1)Br)[nH]nn2 DA-35910 [0,0,0,0,1,0|2,0,1]=4 59 B11R2.106 c1cc2c(ccs2)c(c1)Cl DA-39552 [0,0,0,0,1,0|2,0,0]=3 60 B11R2.106 c1cn2ccnc(c2n1)Br DA-35485 [0,0,0,0,1,0|3,0,0]=4 61 B11R2.106 c1cnc2ccsc2c1Br DA-35906 [0,0,0,0,1,0|3,0,0]=4 62 B11R2.106 c1coc2c1cncc2Br DA-35752 [0,0,0,0,1,0|3,0,0]=4 63 B10R1.4 C=CCc1ccccc1Br DA-29692 [1,0,1,0,0,0|2,0,0]=4 64 B10R1.10 C=CCc1cccc(c1)Br DA-29840 [1,0,1,0,0,0|2,0,0]=4 65 B10R1.10 C=CCc1cccc(c1)O DA-24348 [1,0,1,0,0,0|2,0,0]=4 66 B10R1.245 Cc1cccc(c1C=O)Br DA-43509 [1,0,1,0,0,0|2,0,0]=4 67 B12R2.24 c1cc2c(nc1)ncc(n2)Cl DA-26354 [1,1,0,0,0,0|1,0,0]=3 68 B12R2.1 CCc1c[nH]c2c1cccn2 DA-23651 [0,1,0,0,1,0|2,0,0]=4 69 B12R2.1 c1cc2c(c[nH]c2nc1)CO DA-29333 [0,1,0,0,1,0|2,0,0]=4 70 B12R2.1 c1cc2c(csc2nc1)CN DA-46122 [0,1,0,0,1,0|2,0,0]=4 71 B12R2.132 Cc1c2c([nH]n1)ncc(n2)Br DA-37766 [0,1,0,0,1,0|2,0,0]=4 72 B12R2.132 Cn1ccc2c1cc(cn2)Br DA-36522 [0,1,0,0,1,0|2,0,0]=4 73 B12R2.132 Cn1ccc2c1nc(cc2)Br DA-36523 [0,1,0,0,1,0|2,0,0]=4 74 B12R2.132 Cn1ccc2c1nc(cc2)N DA-29228 [0,1,0,0,1,0|2,0,0]=4 75 B12R2.203 Cc1csc2c1c(ccn2)O DA-25532 [0,1,0,0,1,0|2,0,0]=4 76 B12R2.2028 Cn1cc(c2c1cccn2)Br DA-24073 [0,1,0,0,1,0|2,0,0]=4 77 B12R2.82 Cc1c(ccc2c1[nH]cc2)Br DA-36410 [0,1,0,0,1,0|0,0,1]=3 78 B12R2.82 Cc1c(ccc2c1[nH]cn2)Cl DA-37507 [0,1,0,0,1,0|0,0,1]=3 79 B12R2.82 Cc1c(ccc2c1[nH]cn2)F DA-37354 [0,1,0,0,1,0|0,0,1]=3 80 B12R2.82 Cc1c(cnc2c1[nH]cn2)Cl DA-36260 [0,1,0,0,1,0|1,0,1]=4 81 B12R2.82 Cc1ccc2cc[nH]c2c1F DA-35652 [0,1,0,0,1,0|1,0,1]=4 82 B12R2.82 Cc1ccc2nccn2c1Br DA-45881 [0,1,0,0,1,0|2,0,0]=4 83 B12R2.82 Cc1ccc2nccn2c1Cl DA-42435 [0,1,0,0,1,0|2,0,0]=4 84 B12R2.82 c1cc(c(c2c1[nH]cc2)Cl)Cl DA-21986 [0,1,0,0,1,0|1,0,1]=4 85 B12R2.82 c1cc(c(c2c1cc[nH]2)Cl)Cl DA-36717 [0,1,0,0,1,0|1,0,1]=4 86 B12R2.82 c1cc(c(c2c1ccs2)Cl)Cl DA-36710 [0,1,0,0,1,0|2,0,0]=4 87 B12R2.82 c1cc(c(c2c1ncs2)Br)I DA-46001 [0,1,0,0,1,0|2,0,0]=4 88 B12R2.202 Cc1cc2c([nH]1)cccc2Br DA-39922 [0,1,0,0,1,0|1,0,1]=4 89 B12R2.202 Cc1cc2c([nH]1)cccc2F DA-39405 [0,1,0,0,1,0|1,0,1]=4 90 B12R2.202 Cc1cc2cccc(c2s1)Cl DA-35724 [0,1,0,0,1,0|2,0,0]=4 91 B12R2.202 Cc1cc2ccnc(c2s1)C DA-27076 [0,1,0,0,1,0|2,0,0]=4 92 B12R2.202 Cc1cn2cccc(c2n1)Br DA-35497 [0,1,0,0,1,0|2,0,0]=4 93 B12R2.202 Cc1nc2cccc(c2s1)Br DA-35787 [0,1,0,0,1,0|2,0,0]=4 94 B12R2.202 c1cc(c2cc(nn2c1)N)Br DA-39793 [0,1,0,0,1,0|2,0,0]=4 95 B12R2.202 c1cc2c(c(c1)Br)sc(n2)Cl DA-47527 [0,1,0,0,1,0|2,0,0]=4 96 B12R2.202 c1cc2c(c(c1)F)[nH]c(n2)N DA-35657 [0,1,0,0,1,0|1,0,1]=4 97 B12R2.202 c1cc2c(cc([nH]2)Cl)c(c1)Br DA-39951 [0,1,0,0,1,0|1,0,1]=4 98 B12R2.221 Cc1ccc(c2c1[nH]cc2)F DA-39393 [0,1,0,0,1,0|0,0,1]=3 99 B12R2.221 Cc1ccc(c2c1nsn2)Br DA-43178 [0,1,0,0,1,0|1,0,0]=3 100 B12R2.221 c1cc(c2c(c1N)non2)Cl DA-21430 [0,1,0,0,1,0|2,0,0]=4 101 B12R2.221 c1cc(c2c(c1N)nsn2)Cl DA-35732 [0,1,0,0,1,0|2,0,0]=4 102 B12R2.221 c1cc(c2cc[nH]c2c1N)Cl DA-39747 [0,1,0,0,1,0|1,0,1]=4 103 B12R2.221 c1cc(c2cc[nH]c2c1N)F DA-39408 [0,1,0,0,1,0|1,0,1]=4 104 B12R2.221 c1cc(c2ccsc2c1O)Br DA-23129 [0,1,0,0,1,0|2,0,0]=4 105 B12R2.246 Cc1cc(c2cc[nH]c2c1)N DA-36039 [0,1,0,0,1,0|1,0,1]=4 106 B12R2.246 Cc1cc(cc2c1[nH]cc2)F DA-37351 [0,1,0,0,1,0|0,0,1]=3 107 B12R2.246 Cc1cc(cc2c1[nH]cc2)N DA-35595 [0,1,0,0,1,0|0,0,1]=3 108 B12R2.246 Cc1cc(cc2c1occ2)O DA-35581 [0,1,0,0,1,0|1,0,0]=3 109 B12R2.246 Cc1cc(nc2c1scc2)Cl DA-40170 [0,1,0,0,1,0|2,0,0]=4 110 B12R2.246 Cc1cc2ccoc2c(c1)N DA-37090 [0,1,0,0,1,0|2,0,0]=4 111 B12R2.246 c1c(cc(c2c1[nH]cn2)Br)Cl DA-45683 [0,1,0,0,1,0|1,0,1]=4 112 B12R2.246 c1c(cn2c(c1Br)ncn2)Cl DA-44762 [0,1,0,0,1,0|2,0,0]=4 113 B12R2.246 c1c[nH]c2c1c(cc(c2)Cl)Br DA-39835 [0,1,0,0,1,0|1,0,1]=4 114 B12R2.246 c1c[nH]c2c1c(cc(c2)F)I DA-36148 [0,1,0,0,1,0|1,0,1]=4 115 B12R2.246 c1c[nH]c2c1cc(cc2F)O DA-35656 [0,1,0,0,1,0|1,0,1]=4 116 B12R2.246 c1cn2cc(cc(c2n1)Br)F DA-35489 [0,1,0,0,1,0|2,0,0]=4 117 B12R2.246 c1coc2c1c(cc(c2)Cl)Cl DA-21913 [0,1,0,0,1,0|2,0,0]=4 118 B12R2.315 c1cc(c2ccoc2c1)C#N DA-35171 [0,1,0,0,1,0|1,0,1]=4 119 B12R2.315 c1cc(c2nccn2c1)C#N DA-33541 [0,1,0,0,1,0|1,0,1]=4 120 B12R2.315 c1cc(c2nccn2c1)CN DA-33555 [0,1,0,0,1,0|1,0,0]=3 121 B12R2.315 c1cc-2ccoc(c2c1)CO DA-36563 [0,1,0,0,1,0|2,0,0]=4 122 B12R2.315 c1cc2ccnn2c(c1)CBr DA-35872 [0,1,0,0,1,0|1,0,0]=3 123 B14R2.92 COc1ccc2cccnc2c1O DA-35603 [0,2,0,0,0,0|2,0,0]=4 124 B14R2.92 c1cc2c(ccc(c2F)C#N)nc1 DA-37369 [0,2,0,0,0,0|2,0,0]=4 125 B14R2.92 c1cc2c(ccc(c2F)CN)nc1 DA-37352 [0,2,0,0,0,0|2,0,0]=4 126 B14R2.203 CCc1c2cccnc2ccc1N DA-37377 [0,2,0,0,0,0|1,0,0]=3 127 B14R2.203 c1cc2c(c(cnc2nc1)Cl)CO DA-44038 [0,2,0,0,0,0|2,0,0]=4 128 B14R2.203 c1cc2c(ccc(c2C#N)Br)nc1 DA-47524 [0,2,0,0,0,0|1,0,1]=4 129 B14R2.203 c1ccc2c(c1)ccc(c2CO)Cl DA-48247 [0,2,0,0,0,0|2,0,0]=4 130 B14R2.203 c1ccc2c(c1)ccc(c2CO)F DA-48248 [0,2,0,0,0,0|2,0,0]=4 131 B14R2.4513 Cc1c(ccc2c1[nH]c(=O)cc2)N DA-35820 [0,2,0,0,0,0|1,0,1]=4 132 B14R2.4513 Cc1ccc2ccc(=O)oc2c1C DA-35852 [0,2,0,0,0,0|2,0,0]=4 133 B14R2.4513 Cn1c(=O)ccc2c1nc(cc2)Cl DA-35738 [0,2,0,0,0,0|2,0,0]=4 134 B14R2.28523 Cc1c(ccc2c1c(ccn2)Cl)O DA-39603 [0,2,0,0,0,0|1,0,0]=3 135 B14R2.28523 Cn1c(=O)ccc2c1c(ccn2)O DA-35441 [0,2,0,0,0,0|2,0,0]=4 136 B14R2.29369 Cc1ccc2c(c1C)ccc(=O)[nH]2 DA-38241 [0,2,0,0,0,0|1,0,1]=4 137 B14R2.29369 Cc1ccc2c(n1)ccc(c2I)O DA-37281 [0,2,0,0,0,0|2,0,0]=4 138 B14R2.142 c1cc2c(c(c1)O)nc(cn2)C=O DA-35439 [0,2,0,0,0,0|1,0,0]=3 139 B14R2.142 c1cc2c(cc(cn2)C=O)c(c1)O DA-37310 [0,2,0,0,0,0|2,0,0]=4 140 B14R2.142 c1cc2ccc(nc2c(c1)O)CN DA-27907 [0,2,0,0,0,0|2,0,0]=4 141 B14R2.8045 Cc1cc(cc2c1nccc2Cl)Br DA-36432 [0,2,0,0,0,0|1,0,0]=3 142 B14R2.8045 Cc1cc(cc2c1nccc2O)Br DA-36406 [0,2,0,0,0,0|1,0,0]=3 143 B14R2.8235 Cc1cc(cc2c1nc(cc2)Cl)Br DA-36491 [0,2,0,0,0,0|1,0,0]=3 144 B14R2.8235 Cc1ccc2cc(cc(c2n1)O)Br DA-36475 [0,2,0,0,0,0|2,0,0]=4 145 B14R2.8235 c1cc(nc2c1cc(cc2Br)Cl)Cl DA-35500 [0,2,0,0,0,0|2,0,0]=4 146 B14R2.8235 c1cc(nc2c1cc(cc2F)Br)Cl DA-36492 [0,2,0,0,0,0|2,0,0]=4 147 B14R2.8751 Cc1ccc2c(ccc(c2n1)Cl)O DA-35470 [0,2,0,0,0,0|2,0,0]=4 148 B14R2.11684 Cc1cc2c(cccc2OC)nc1 DA-37192 [0,2,0,0,0,0|1,0,0]=3 149 B14R2.11684 c1cc2ccc(cc2c(c1)CBr)Br DA-41293 [0,2,0,0,0,0|2,0,0]=4 150 B14R2.11684 c1cc2ccc(nc2c(c1)C#N)Cl DA-47004 [0,2,0,0,0,0|1,0,1]=4 151 B14R2.1019 Cc1cc(cc2c1nccc2)C=O DA-35419 [0,2,0,0,0,0|1,0,0]=3 152 B14R2.1019 Cc1cc(cc2c1nccc2)CO DA-35418 [0,2,0,0,0,0|1,0,0]=3 153 B14R2.1019 Cc1cc(nc2c1cccn2)NN DA-26169 [0,2,0,0,0,0|2,0,0]=4 154 B14R2.1019 c1cc2cc(cc(c2nc1)Cl)C=O DA-35449 [0,2,0,0,0,0|2,0,0]=4 155 B14R2.1146 COc1cc(cc2c1cccn2)Br DA-35763 [0,2,0,0,0,0|1,0,0]=3 156 B14R2.1146 COc1cc(nc2c1cccn2)Cl DA-26561 [0,2,0,0,0,0|2,0,0]=4 157 B14R2.28480 Cc1cccc2c1c(nc(n2)Cl)Cl DA-41370 [0,2,0,0,0,0|2,0,0]=4 158 B14R2.29365 Cc1cc(nc2c1ccc(n2)Cl)C DA-35731 [0,2,0,0,0,0|2,0,0]=4 159 B14R2.29365 Cc1ccc2c(n1)cc(cc2O)Cl DA-35725 [0,2,0,0,0,0|2,0,0]=4 160 B14R2.29365 Cc1ccc2c(n1)cc(cc2O)I DA-35634 [0,2,0,0,0,0|2,0,0]=4 161 B14R2.29365 Cc1cnc2c(n1)cc(nc2Cl)Cl DA-45200 [0,2,0,0,0,0|2,0,0]=4 162 B14R2.1078 COc1cccc2c1cccc2N DA-37218 [0,2,0,0,0,0|2,0,0]=4 163 B14R2.8051 Cc1ccc(c2c1occc2=O)Br DA-37697 [0,2,0,0,0,0|2,0,0]=4 164 B14R2.1131 COc1ccc(c2c1cccc2)N DA-39253 [0,2,0,0,0,0|2,0,0]=4 165 B14R2.1131 COc1ccc(c2c1cccn2)Br DA-35495 [0,2,0,0,0,0|1,0,0]=3 166 B14R2.1131 COc1ccc(c2c1cccn2)O DA-37179 [0,2,0,0,0,0|1,0,0]=3 167 B14R2.1131 COc1ccc(c2c1nccc2)Br DA-37698 [0,2,0,0,0,0|1,0,0]=3 168 B14R2.1131 Cc1ccc(c2c1cccn2)C#N DA-37089 [0,2,0,0,0,0|1,0,0]=3 169 B14R2.1131 c1cc2c(ccc(c2nc1)CO)Br DA-37696 [0,2,0,0,0,0|1,0,0]=3 170 B14R2.1073 Cc1cc2cccc(c2nc1)OC DA-35428 [0,2,0,0,0,0|1,0,0]=3 171 B14R2.1073 Cc1ncc2c(n1)cccc2OC DA-37203 [0,2,0,0,0,0|2,0,0]=4 172 B14R2.7150 c1ccc2c(c1)cccc2CCI DA-41431 [0,2,0,0,0,0|2,0,0]=4 173 B14R2.11635 COc1cccc2c1c(ccn2)O DA-37187 [0,2,0,0,0,0|1,0,0]=3 174 B14R2.31359 CC(c1cccc2c1nccc2)Br DA-35557 [0,2,0,0,0,0|1,0,0]=3 175 B14R2.1801 c1cc2c(c(c1)O)ncc(n2)C=O DA-37312 [0,2,0,0,0,0|1,0,0]=3 176 B10R2.7 c1cncc2c1ncs2 DA-42949 [1,0,0,0,1,0|2,0,0]=4 177 B10R2.7 c1csc2c1nccn2 DA-42086 [1,0,0,0,1,0|1,0,0]=3