0 B12R2.32 CNc1cc2ccccc2[nH]1 DA-41842 [0,0,0,0,0,0|3,0,0]=3 1 B12R2.32 c1cc2c(cc([nH]2)CN)nc1 DA-29328 [0,0,0,0,0,0|3,0,1]=4 2 B12R2.32 c1cc2c(cc(s2)CCl)nc1 DA-27762 [0,0,0,0,0,0|2,1,1]=4 3 B12R2.32 c1cc2c(cc(s2)CN)nc1 DA-46123 [0,0,0,0,0,0|2,1,1]=4 4 B12R2.32 c1cc2c(cc(s2)CO)nc1 DA-40310 [0,0,0,0,0,0|1,1,2]=4 5 B12R2.32 c1cc2cc([nH]c2nc1)CN DA-29334 [0,0,0,0,0,0|3,0,1]=4 6 B12R2.32 c1cc2cc(sc2nc1)CCl DA-27763 [0,0,0,0,0,0|2,1,1]=4 7 B12R2.32 c1cc2cc(sc2nc1)CN DA-40397 [0,0,0,0,0,0|2,1,1]=4 8 B12R2.32 c1ccc2c(c1)OC(O2)CN DA-30293 [0,0,0,0,0,0|2,0,2]=4 9 B12R2.32 c1ccc2c(c1)cc(s2)CCl DA-27765 [0,0,0,0,0,0|1,1,1]=3 10 B12R2.32 c1ccn2cc(nc2c1)C#N DA-33551 [0,0,0,0,0,0|3,0,1]=4 11 B12R2.32 c1cncc2c1[nH]c(c2)CO DA-29326 [0,0,0,0,0,0|2,0,2]=4 12 B12R2.32 c1cncc2c1sc(c2)CO DA-47177 [0,0,0,0,0,0|1,1,2]=4 13 B11R2.10 c1cc2c(nc1)sc(=O)o2 DA-30242 [1,0,0,0,0,0|2,0,0]=3 14 B11R2.10 c1cncc2c1[nH]c(=O)o2 DA-41700 [1,0,0,0,0,0|2,0,0]=3 15 B11R2.10 c1cncc2c1oc(=O)[nH]2 DA-42001 [1,0,0,0,0,0|2,0,0]=3 16 B13R2.26 CCCc1cc2ccccc2s1 DA-25684 [0,1,0,0,0,0|1,1,1]=4 17 B13R2.26 c1ccc2c(c1)cc(s2)CC#N DA-35174 [0,1,0,0,0,0|1,1,1]=4 18 B13R2.26 c1ccc2c(c1)cc(s2)CC=O DA-35176 [0,1,0,0,0,0|0,1,0]=2 19 B13R2.43 CCc1cc2cc(ccc2[nH]1)C DA-26232 [0,1,0,0,0,0|2,0,1]=4 20 B13R2.43 CCc1nc2ccc(cc2o1)N DA-26228 [0,1,0,0,0,0|2,0,1]=4 21 B13R2.43 COc1nc2cc(ccc2o1)N DA-25994 [0,1,0,0,0,0|3,0,0]=4 22 B13R2.43 COc1nc2ccc(cc2o1)N DA-25988 [0,1,0,0,0,0|3,0,0]=4 23 B13R2.43 Cc1ccc2c(c1)cc([nH]2)CO DA-37155 [0,1,0,0,0,0|1,0,2]=4 24 B13R2.43 Cc1ccc2nc(cn2c1)C=O DA-35986 [0,1,0,0,0,0|2,0,0]=3 25 B13R2.43 c1c2cc(ncc2[nH]c1C=O)Cl DA-37623 [0,1,0,0,0,0|2,0,0]=3 26 B13R2.43 c1c2cnc(cc2[nH]c1C=O)Br DA-36530 [0,1,0,0,0,0|2,0,0]=3 27 B13R2.43 c1cc(cc2c1cc(s2)CO)Cl DA-36255 [0,1,0,0,0,0|0,1,2]=4 28 B13R2.43 c1cc2c(cc1Br)cc(s2)CO DA-37695 [0,1,0,0,0,0|0,1,2]=4 29 B13R2.43 c1cc2c(cc1Cl)cc([nH]2)CO DA-37624 [0,1,0,0,0,0|1,0,2]=4 30 B13R2.45 Cc1c(nc2n1cccc2)C=O DA-25533 [0,1,0,0,0,0|2,0,0]=3 31 B13R2.45 Cn1c2ccccc2cc1CN DA-29238 [0,1,0,0,0,0|2,0,1]=4 32 B13R2.45 c1ccn2c(c1)nc(c2Br)C=O DA-23924 [0,1,0,0,0,0|2,0,0]=3 33 B13R2.54 c1c[nH]c(=O)c2c1sc(c2)C=O DA-43868 [0,1,0,0,0,0|1,1,0]=3 34 B13R2.54 c1cc2nc(cn2c(c1)Br)C=O DA-37694 [0,1,0,0,0,0|2,0,0]=3 35 B13R2.54 c1cc2nc(cn2c(c1)Cl)C=O DA-37453 [0,1,0,0,0,0|2,0,0]=3 36 B13R2.435 CC(=O)c1cc2cnccc2s1 DA-29015 [0,1,0,0,0,0|1,1,0]=3 37 B13R2.435 CC(C)c1cc2ccccc2[nH]1 DA-26062 [0,1,0,0,0,0|2,0,1]=4 38 B13R2.435 c1cc2c(cc([nH]2)C(=O)N)nc1 DA-29329 [0,1,0,0,0,0|2,0,0]=3 39 B13R2.435 c1cc2cc(nn2nc1)C(=O)O DA-42148 [0,1,0,0,0,0|3,0,0]=4 40 B13R2.435 c1ccc2c(c1)CC(=C2)C(=O)O DA-29352 [0,1,0,0,0,0|1,0,0]=2 41 B13R2.435 c1ccc2c(c1)CC(N2)C(=O)N DA-33526 [0,1,0,0,0,0|1,0,2]=4 42 B13R2.435 c1ccc2c(c1)CN(C2)C(=O)Cl DA-33512 [0,1,0,0,0,0|2,0,1]=4 43 B13R2.435 c1ccc2c(c1)[nH]c(n2)C(=O)O DA-29364 [0,1,0,0,0,0|2,0,0]=3 44 B13R2.435 c1ccn2c(c1)nc(n2)C(=O)O DA-30351 [0,1,0,0,0,0|3,0,0]=4 45 B13R2.435 c1ccn2cc(nc2c1)C(=O)Cl DA-33550 [0,1,0,0,0,0|2,0,0]=3 46 B13R2.435 c1ccn2cc(nc2c1)C(=O)N DA-33549 [0,1,0,0,0,0|2,0,0]=3 47 B13R2.435 c1cncc2c1cc(o2)C(=O)Cl DA-33616 [0,1,0,0,0,0|1,0,0]=2 48 B13R2.435 c1cncc2c1nc(s2)C(=O)O DA-41421 [0,1,0,0,0,0|2,1,0]=4 49 B11R1.17 Cc1ccccc1C=CCBr DA-31253 [0,0,1,0,0,0|2,0,1]=4 50 B11R1.17 c1ccc(c(c1)C=CCBr)Cl DA-31254 [0,0,1,0,0,0|2,0,1]=4 51 B13R2.57 c1cc2c(cc1C=O)cncn2 DA-35939 [0,0,0,0,0,1|3,0,0]=4 52 B13R2.57 c1cc2c(ccnn2)cc1C=O DA-36200 [0,0,0,0,0,1|3,0,0]=4 53 B13R2.57 c1cc2cc(cnc2nc1)C=O DA-30134 [0,0,0,0,0,1|2,0,0]=3 54 B13R2.57 c1ccc2c(c1)cc(cn2)NN DA-23576 [0,0,0,0,0,1|3,0,0]=4 55 B13R2.57 c1ccc2c(c1)cnc(n2)CBr DA-27796 [0,0,0,0,0,1|2,0,1]=4 56 B10R1.4 C=CCc1ccccc1Br DA-29692 [1,0,1,0,0,0|1,0,1]=4 57 B10R1.17 c1ccc(cc1)C=CCCl DA-32036 [1,0,1,0,0,0|1,0,1]=4 58 B10R1.18 C=C(Cc1ccccc1)Br DA-32140 [1,0,1,0,0,0|1,0,1]=4 59 B12R1.69 c1cc(c(cc1Cl)Cl)OCC=O DA-28720 [0,1,1,0,0,0|1,0,1]=4 60 B12R1.125 c1ccc(c(c1)CCC(=O)Cl)O DA-26114 [0,1,1,0,0,0|0,0,2]=4 61 B12R1.308 c1ccc(c(c1)C(=O)CC=O)Br DA-25389 [0,1,1,0,0,0|1,0,1]=4 62 B12R1.308 c1ccc(c(c1)C(=O)CC=O)Cl DA-25372 [0,1,1,0,0,0|1,0,1]=4 63 B12R1.308 c1ccc(c(c1)C(=O)CC=O)F DA-25361 [0,1,1,0,0,0|1,0,1]=4 64 B12R1.43 c1cnccc1\C=C(\C(=O)O)/O DA-31830 [0,1,1,0,0,0|1,0,0]=3 65 B12R2.18 Cc1cc2ccccc2n1N DA-25960 [1,1,0,0,0,0|1,0,1]=4 66 B12R2.18 c1ccc2c(c1)C(=O)C(=O)O2 DA-27457 [1,1,0,0,0,0|0,0,0]=2 67 B12R2.202 Cc1cc2c([nH]1)cccc2Br DA-39922 [1,1,0,0,0,0|1,0,1]=4 68 B12R2.202 Cc1cc2c([nH]1)cccc2F DA-39405 [1,1,0,0,0,0|1,0,1]=4 69 B12R2.202 Cc1cc2cccc(c2s1)Cl DA-35724 [1,1,0,0,0,0|0,1,1]=4 70 B12R2.202 c1c2c(c(cn1)Cl)[nH]c(=O)o2 DA-35669 [1,1,0,0,0,0|2,0,0]=4 71 B12R2.202 c1cc2c(c(c1)I)NC(=O)C2 DA-35630 [1,1,0,0,0,0|1,0,1]=4 72 B12R2.202 c1cc2c(cc([nH]2)Cl)c(c1)Br DA-39951 [1,1,0,0,0,0|2,0,0]=4 73 B12R2.202 c1cnc(c2c1cc(o2)Cl)N DA-46034 [1,1,0,0,0,0|2,0,0]=4 74 B12R2.202 c1cnc(c2c1cc(o2)I)Cl DA-46030 [1,1,0,0,0,0|2,0,0]=4 75 B12R2.606 Cc1cc2cc(ccc2o1)Cl DA-37556 [1,1,0,0,0,0|0,0,1]=3 76 B12R2.606 Cc1cc2ccc(cc2[nH]1)Br DA-36478 [1,1,0,0,0,0|1,0,1]=4 77 B12R2.606 Cc1ccc2c(c1)oc(n2)N DA-36025 [1,1,0,0,0,0|2,0,0]=4 78 B12R2.606 c1cc2c(cc1Cl)oc(n2)Br DA-46671 [1,1,0,0,0,0|2,0,0]=4 79 B12R2.606 c1cc2c(cc1I)oc(=O)[nH]2 DA-36111 [1,1,0,0,0,0|1,0,0]=3 80 B12R2.252 c1c2cscc2sc1C(=O)O DA-44220 [0,1,0,0,1,0|1,1,0]=4 81 B12R2.252 c1coc2c1sc(c2)C(=O)O DA-45936 [0,1,0,0,1,0|1,1,0]=4 82 B14R2.92 c1ccn2c(c1)ncc(c2=O)C=O DA-39014 [0,1,0,0,0,1|2,0,0]=4 83 B14R2.134 Cc1cc2cc(ccc2nc1)C=O DA-23328 [0,1,0,0,0,1|2,0,0]=4 84 B14R2.142 Cc1ccnc2c1cc(cc2)C=O DA-39083 [0,1,0,0,0,1|2,0,0]=4 85 B14R2.142 c1cc2c(c(c1)O)nc(cn2)C=O DA-35439 [0,1,0,0,0,1|1,0,0]=3 86 B14R2.142 c1cc2c(cc(cn2)C=O)c(c1)O DA-37310 [0,1,0,0,0,1|1,0,0]=3 87 B14R2.142 c1cc2c(cc1C=O)c(ccn2)I DA-39292 [0,1,0,0,0,1|2,0,0]=4 88 B14R2.142 c1cc2c(cc1C=O)c(ccn2)O DA-39333 [0,1,0,0,0,1|2,0,0]=4 89 B14R2.781 CC(=O)c1ccc2cccnc2c1 DA-35842 [0,1,0,0,0,1|2,0,0]=4 90 B14R2.781 c1cc2c(ccc(n2)C(=O)O)nc1 DA-30169 [0,1,0,0,0,1|2,0,0]=4 91 B14R2.781 c1cc2cc(ccc2nc1)C(=O)Cl DA-36942 [0,1,0,0,0,1|2,0,0]=4 92 B14R2.781 c1cc2cc(ccc2nc1)C(=O)N DA-35938 [0,1,0,0,0,1|2,0,0]=4 93 B14R2.781 c1cc2ccc(cc2nc1)C(=O)Cl DA-35564 [0,1,0,0,0,1|2,0,0]=4 94 B14R2.781 c1ccc2cnc(cc2c1)C(=N)N DA-23478 [0,1,0,0,0,1|2,0,0]=4 95 B14R2.781 c1ccc2cnc(cc2c1)C(=O)Cl DA-23479 [0,1,0,0,0,1|1,0,0]=3 96 B14R2.1019 Cc1cc(cc2c1nccc2)C=O DA-35419 [0,1,0,0,0,1|2,0,0]=4 97 B14R2.1019 c1cc2cc(cc(c2nc1)Cl)C=O DA-35449 [0,1,0,0,0,1|2,0,0]=4 98 B14R2.1128 c1ccc2c(c1)cc(c(n2)C=O)Cl DA-23712 [0,1,0,0,0,1|1,0,0]=3 99 B14R2.1128 c1ccc2c(c1)nc(c(n2)Br)C=O DA-23891 [0,1,0,0,0,1|1,0,0]=3 100 B14R2.1801 c1cc2c(c(c1)O)ncc(n2)C=O DA-37312 [0,1,0,0,0,1|1,0,0]=3 101 B14R2.2332 c1cc(nc2c1cc(cc2)Cl)C=O DA-36315 [0,1,0,0,0,1|1,0,0]=3 102 B14R2.2332 c1cc2c(ccc(=O)[nH]2)cc1C=O DA-30319 [0,1,0,0,0,1|2,0,0]=4 103 B14R2.2332 c1cc2c(ccc(n2)Cl)cc1C=O DA-26407 [0,1,0,0,0,1|2,0,0]=4 104 B14R2.2332 c1cc2cc(ncc2cc1C=O)Cl DA-23734 [0,1,0,0,0,1|2,0,0]=4 105 B14R2.768 c1ccc2c(c1)cc(s2)CC(=O)O DA-35175 [0,2,0,0,0,0|0,1,0]=3 106 B14R2.768 c1ccn2cc(nc2c1)CC(=O)N DA-33554 [0,2,0,0,0,0|2,0,0]=4 107 B14R2.972 CNC(=O)c1cc2ccccc2[nH]1 DA-41659 [0,2,0,0,0,0|1,0,0]=3 108 B14R2.972 CNC(=O)c1cc2ccccc2o1 DA-41799 [0,2,0,0,0,0|0,0,0]=2 109 B14R2.972 CNC(=O)c1cc2ccccc2s1 DA-42755 [0,2,0,0,0,0|0,1,0]=3 110 B14R2.972 COC(=O)C1Oc2ccccc2O1 DA-30294 [0,2,0,0,0,0|1,0,1]=4 111 B14R2.972 COC(=O)c1cc2c(s1)cccn2 DA-42354 [0,2,0,0,0,0|1,1,0]=4 112 B14R2.972 COC(=O)c1cc2ccccn2c1 DA-26102 [0,2,0,0,0,0|2,0,0]=4 113 B14R2.972 COC(=O)c1cc2cnccc2[nH]1 DA-29327 [0,2,0,0,0,0|2,0,0]=4 114 B14R2.972 c1cc2cc([nH]c2nc1)C(=O)NN DA-29335 [0,2,0,0,0,0|2,0,0]=4 115 B14R2.1060 CCc1c(c2cc(ccc2o1)N)C DA-26253 [0,2,0,0,0,0|1,0,1]=4 116 B14R2.1060 Cc1c2cc(ccc2oc1C=O)F DA-38896 [0,2,0,0,0,0|0,0,0]=2 117 B14R2.1095 Cc1c2ccc(cc2oc1C=O)F DA-36957 [0,2,0,0,0,0|0,0,0]=2 118 B14R2.1095 Cn1c2ccc(cc2nc1C=O)Cl DA-43970 [0,2,0,0,0,0|2,0,0]=4 119 B14R2.1133 Cc1c(ccc2n1cc(n2)C=O)Br DA-36416 [0,2,0,0,0,0|2,0,0]=4 120 B14R2.3304 COc1ccc2c(c1)[nH]c(n2)C=O DA-36091 [0,2,0,0,0,0|2,0,0]=4 121 B14R2.3304 COc1ccc2c(c1)sc(n2)C=O DA-36082 [0,2,0,0,0,0|1,1,0]=4 122 B14R2.4529 CC(=O)c1cc2cc(ccc2[nH]1)Cl DA-30850 [0,2,0,0,0,0|1,0,0]=3 123 B14R2.4529 CC(=O)c1nc2ccc(cc2s1)Br DA-40208 [0,2,0,0,0,0|1,1,0]=4 124 B14R2.4529 Cc1ccc2cc(oc2c1)C(=O)O DA-36027 [0,2,0,0,0,0|0,0,0]=2 125 B14R2.4529 Cc1ccn2c(c1)cc(n2)C(=O)O DA-37082 [0,2,0,0,0,0|2,0,0]=4 126 B14R2.4529 c1c2cc(ncc2oc1C(=O)O)Cl DA-37454 [0,2,0,0,0,0|1,0,0]=3 127 B14R2.4529 c1cc(cc2c1cc([nH]2)C(=O)O)N DA-36621 [0,2,0,0,0,0|1,0,0]=3 128 B14R2.4529 c1cc(nc2c1[nH]c(c2)C(=O)O)Cl DA-37621 [0,2,0,0,0,0|2,0,0]=4 129 B14R2.4529 c1cc2c(cc1Br)CC(O2)C(=O)O DA-37876 [0,2,0,0,0,0|0,0,2]=4 130 B14R2.4529 c1cc2c(cc1Br)sc(n2)C(=O)Cl DA-36496 [0,2,0,0,0,0|1,1,0]=4 131 B14R2.4529 c1cc2c(cc1Br)sc(n2)C(=O)O DA-36495 [0,2,0,0,0,0|1,1,0]=4 132 B14R2.4529 c1cc2c(cc1Cl)nc(s2)C(=O)Cl DA-37576 [0,2,0,0,0,0|1,1,0]=4 133 B14R2.38331 Cc1cc(c2nc(cn2c1)C=O)Br DA-35487 [0,2,0,0,0,0|2,0,0]=4 134 B14R2.38331 Cc1cc(cn2c1nc(c2)C=O)Br DA-36405 [0,2,0,0,0,0|2,0,0]=4 135 B14R2.38331 Cc1cc(n2cc(nc2c1)C=O)C DA-38206 [0,2,0,0,0,0|2,0,0]=4 136 B14R2.38331 c1c(cc(c2c1[nH]c(c2)C=O)Cl)Cl DA-21933 [0,2,0,0,0,0|1,0,0]=3 137 B14R2.450 Cc1c2c(cccn2)oc1C(=O)O DA-23322 [0,2,0,0,0,0|1,0,0]=3 138 B14R2.450 Cn1c2ccccc2cc1C(=O)N DA-29239 [0,2,0,0,0,0|1,0,0]=3 139 B14R2.450 c1cc2c(c(c(s2)C(=O)O)Br)nc1 DA-47869 [0,2,0,0,0,0|1,1,0]=4 140 B14R2.450 c1ccc2c(c1)c(c([nH]2)C(=O)O)Cl DA-23870 [0,2,0,0,0,0|1,0,0]=3 141 B14R2.450 c1ccc2c(c1)c(c(s2)[N+](=O)[O-])N DA-25760 [0,2,0,0,0,0|1,1,0]=4 142 B14R2.450 c1ccn2c(c1)c(c(n2)C(=O)O)Cl DA-23713 [0,2,0,0,0,0|2,0,0]=4 143 B14R2.2159 c1c(sc2c1c(=O)[nH]cc2Br)C=O DA-43867 [0,2,0,0,0,0|1,1,0]=4 144 B14R2.7969 CC(=O)c1cc2c(o1)ccnc2Cl DA-31008 [0,2,0,0,0,0|1,0,0]=3 145 B14R2.7969 Cc1cccc2c1oc(c2)C(=O)O DA-35589 [0,2,0,0,0,0|0,0,0]=2 146 B14R2.7969 c1c2c(c(ncn2)Cl)oc1C(=O)N DA-39550 [0,2,0,0,0,0|2,0,0]=4 147 B14R2.7969 c1c2c(cncc2Br)[nH]c1C(=O)N DA-21270 [0,2,0,0,0,0|2,0,0]=4 148 B14R2.7969 c1c2c(cncc2Br)sc1C(=O)N DA-39790 [0,2,0,0,0,0|1,1,0]=4 149 B14R2.7969 c1cc2c(cc([nH]2)C(=O)O)c(c1)O DA-39366 [0,2,0,0,0,0|1,0,0]=3 150 B14R2.7969 c1cc2c(cc(s2)C(=N)N)c(c1)I DA-39318 [0,2,0,0,0,0|1,1,0]=4 151 B14R2.7969 c1cc2cc([nH]c2c(c1)F)C(=O)O DA-35903 [0,2,0,0,0,0|1,0,0]=3 152 B14R2.11647 COc1cccc2n1cc(n2)C=O DA-37178 [0,2,0,0,0,0|2,0,0]=4 153 B12R2.44 c1cc(cc2c1ccs2)C=O DA-35172 [0,0,1,1,0,0|2,0,0]=4 154 B12R2.44 c1cc-2ccc(oc2c1)CO DA-21348 [0,0,1,1,0,0|0,0,2]=4 155 B12R2.44 c1cc2c(ccs2)nc1C=O DA-41550 [0,0,1,1,0,0|2,0,0]=4 156 B12R2.315 c1cc-2ccoc(c2c1)CO DA-36563 [0,0,1,1,0,0|0,0,2]=4