0 B12R2.24 Cc1ccc2c(c1)OCCO2 A2Z00096649 [0,0,0,0,0,0|2,0,2]=4 1 B12R2.24 Cc1ccc2c(c1)nccn2 A2Z00096306 [0,0,0,0,0,0|1,0,0]=1 2 B12R2.24 c1cc2cc(ccc2nc1)Br A2Z00062458 [0,0,0,0,0,0|1,0,0]=1 3 B12R2.24 c1cc2cc(ccc2nc1)Br A2Z00074308 [0,0,0,0,0,0|1,0,0]=1 4 B12R2.24 c1cc2cc(ccc2nc1)O A2Z00094828 [0,0,0,0,0,0|1,0,0]=1 5 B13R2.32 c1ccc2c(c1)ccc(c2Br)N A2Z00049633 [0,1,0,0,0,0|2,0,0]=3 6 B13R2.57 c1cc2c(cc1CN)nccn2 A2Z00049543 [0,1,0,0,0,0|1,0,0]=2 7 B13R2.57 c1cc2cc(ccc2nc1)C=O A2Z00097499 [0,1,0,0,0,0|0,0,1]=2 8 B13R2.57 c1ccc2c(c1)ccc(n2)C=O A2Z00097491 [0,1,0,0,0,0|2,0,1]=4 9 B13R2.57 c1ccc2c(c1)ccc(n2)NN A2Z00070574 [0,1,0,0,0,0|3,0,0]=4 10 B13R2.155 Cc1ccc2c(c1)NC(=O)CO2 A2Z00069164 [0,1,0,0,0,0|2,0,1]=4 11 B13R2.155 Cc1ccc2ccc(=O)oc2c1 A2Z00096333 [0,1,0,0,0,0|2,0,0]=3 12 B13R2.162 Cc1ccc2c(c1)c(=O)[nH]cn2 A2Z00060919 [0,1,0,0,0,0|1,0,0]=2 13 B13R2.162 Cc1ccc2c(c1)c(ncn2)Cl A2Z00060478 [0,1,0,0,0,0|1,0,0]=2 14 B13R2.162 Cc1ccc2c(c1)c(ncn2)N A2Z00057802 [0,1,0,0,0,0|1,0,0]=2 15 B13R2.162 c1cc2c(cc1Br)c(ncn2)N A2Z00057149 [0,1,0,0,0,0|2,0,0]=3 16 B13R2.162 c1cc2c(cc1Cl)c(ccn2)O A2Z00061677 [0,1,0,0,0,0|1,0,0]=2 17 B13R2.162 c1cc2c(cc1F)c(=O)[nH]cn2 A2Z00062307 [0,1,0,0,0,0|2,0,0]=3 18 B13R2.162 c1cc2c(cc1F)c(ncn2)Cl A2Z00061492 [0,1,0,0,0,0|2,0,0]=3 19 B13R2.162 c1cc2ccc(=O)[nH]c2c(c1)N A2Z00049748 [0,1,0,0,0,0|3,0,0]=4 20 B13R2.328 Cc1cc(=O)c2ccccc2[nH]1 A2Z00097492 [0,1,0,0,0,0|2,0,0]=3 21 B13R2.328 Cc1cc(=O)n2ccccc2n1 A2Z00061405 [0,1,0,0,0,0|3,0,0]=4 22 B13R2.328 Cc1nc2ccccc2c(n1)O A2Z00097770 [0,1,0,0,0,0|3,0,0]=4 23 B13R2.328 c1ccc2c(c1)c(cc(=O)[nH]2)O A2Z00061526 [0,1,0,0,0,0|3,0,0]=4 24 B13R2.369 Cc1cc2ccccc2[nH]c1=O A2Z00094815 [0,1,0,0,0,0|2,0,0]=3 25 B13R2.369 Cc1cc2ccccc2nc1Cl A2Z00095300 [0,1,0,0,0,0|2,0,0]=3 26 B13R2.5179 c1cc2c(cc1Cl)cncc2O A2Z00062343 [0,1,0,0,0,0|3,0,0]=4 27 B13R2.5179 c1cc2c(ccnc2Cl)cc1F A2Z00069928 [0,1,0,0,0,0|3,0,0]=4 28 B11R1.40 C\C(=C/c1ccccc1)\C=O A2Z00038627 [0,0,1,0,0,0|2,0,0]=3 29 B11R1.91 CC(=O)NCc1ccccn1 A2Z00094956 [0,0,1,0,0,0|2,0,1]=4 30 B11R1.182 C=CCc1cc(ccc1O)Cl A2Z00074141 [0,0,1,0,0,0|2,0,1]=4 31 B11R2.1 Cn1ccc2c1cccn2 A2Z00096708 [0,0,0,0,1,0|1,0,0]=2 32 B11R2.1 c1cc2c(n[nH]c2nc1)N A2Z00009553 [0,0,0,0,1,0|3,0,0]=4 33 B11R2.10 Cc1cc2ccccc2s1 A2Z00094894 [0,0,0,0,1,0|2,0,0]=3 34 B11R2.10 Cc1cc2ccccn2c1 A2Z00050436 [0,0,0,0,1,0|2,0,0]=3 35 B11R2.10 Cc1nc2ccccc2s1 A2Z00096101 [0,0,0,0,1,0|3,0,0]=4 36 B11R2.10 c1cc2c([nH]c(=O)o2)nc1 A2Z00069818 [0,0,0,0,1,0|3,0,0]=4 37 B11R2.36 Cc1ccc2c(c1)nc[nH]2 A2Z00095954 [0,0,0,0,1,0|1,0,1]=3 38 B11R2.36 Cc1ccc2ccoc2c1 A2Z00096336 [0,0,0,0,1,0|1,0,0]=2 39 B11R2.36 c1cc(cc2c1cc[nH]2)Cl A2Z00095941 [0,0,0,0,1,0|2,0,0]=3 40 B11R2.36 c1cc(cc2c1cco2)Br A2Z00096386 [0,0,0,0,1,0|2,0,0]=3 41 B11R2.36 c1cc2c(cc1O)[nH]cn2 A2Z00070444 [0,0,0,0,1,0|2,0,0]=3 42 B11R2.36 c1cc2c(cc1O)nc[nH]2 A2Z00062450 [0,0,0,0,1,0|2,0,1]=4 43 B11R2.36 c1cc2c(cc1O)nco2 A2Z00070114 [0,0,0,0,1,0|3,0,0]=4 44 B11R2.36 c1cc2c(cc[nH]2)cc1Br A2Z00097905 [0,0,0,0,1,0|1,0,1]=3 45 B11R2.36 c1cc2c(cc[nH]2)cc1N A2Z00096013 [0,0,0,0,1,0|1,0,1]=3 46 B11R2.36 c1cc2cn[nH]c2cc1N A2Z00096550 [0,0,0,0,1,0|3,0,0]=4 47 B11R2.36 c1cc2nncn2cc1N A2Z00069046 [0,0,0,0,1,0|3,0,0]=4 48 B10R1.17 c1ccc(cc1)\C=C\C=O A2Z00038623 [1,0,1,0,0,0|1,0,0]=3 49 B10R1.4 C=CCc1ccccc1O A2Z00093534 [1,0,1,0,0,0|1,0,1]=4 50 B12R1.21 Cc1ccc(cc1)\C=C\C(=O)O A2Z00036119 [0,1,1,0,0,0|2,0,0]=4 51 B12R1.226 c1cc(cc(c1)Cl)\C=C\C(=O)O A2Z00038051 [0,1,1,0,0,0|2,0,0]=4 52 B12R1.226 c1cc(cc(c1)F)\C=C\C(=O)O A2Z00097969 [0,1,1,0,0,0|2,0,0]=4 53 B12R1.43 C\C(=C/c1ccccc1)\C(=O)O A2Z00046434 [0,1,1,0,0,0|2,0,0]=4 54 B12R1.270 COc1ccc(c(c1)CC=C)O A2Z00074122 [0,1,1,0,0,0|1,0,1]=4 55 B12R2.1081 c1cc2cccnc2c(c1)N A2Z00069079 [1,1,0,0,0,0|0,0,0]=2 56 B12R2.1081 c1cc2cnccc2c(c1)Br A2Z00097808 [1,1,0,0,0,0|2,0,0]=4 57 B12R2.1081 c1ccc2c(c1)c(=O)[nH]cn2 A2Z00057219 [1,1,0,0,0,0|1,0,0]=3 58 B12R2.1081 c1ccc2c(c1)c(=O)[nH]nn2 A2Z00060373 [1,1,0,0,0,0|2,0,0]=4 59 B12R2.1081 c1ccc2c(c1)c(=O)cc[nH]2 A2Z00062308 [1,1,0,0,0,0|0,0,1]=3 60 B12R2.1081 c1ccc2c(c1)c(=O)cn[nH]2 A2Z00061512 [1,1,0,0,0,0|1,0,1]=4 61 B12R2.1081 c1ccc2c(c1)c(ccn2)Cl A2Z00097493 [1,1,0,0,0,0|0,0,0]=2 62 B12R2.1081 c1ccc2c(c1)c(ncn2)Cl A2Z00085508 [1,1,0,0,0,0|1,0,0]=3 63 B12R2.1081 c1ccc2c(c1)c(ncn2)N A2Z00087152 [1,1,0,0,0,0|1,0,0]=3 64 B12R2.1081 c1ccc2c(c1)cc[nH]c2=O A2Z00069902 [1,1,0,0,0,0|2,0,0]=4 65 B12R2.1081 c1ccc2c(c1)ccnc2N A2Z00050047 [1,1,0,0,0,0|2,0,0]=4 66 B12R2.1081 c1ccc2c(c1)cncc2Br A2Z00097572 [1,1,0,0,0,0|2,0,0]=4 67 B12R2.1 c1cc2c(c[nH]c2nc1)C=O A2Z00096098 [0,1,0,0,1,0|1,0,1]=4 68 B12R2.1 c1ccc2c(c1)c(c[nH]2)CN A2Z00044917 [0,1,0,0,1,0|2,0,0]=4 69 B12R2.18 Cc1cc2ccccc2n1C A2Z00049652 [0,1,0,0,1,0|2,0,0]=4 70 B12R2.196 Cn1ccc2c1cccc2N A2Z00087603 [0,1,0,0,1,0|2,0,0]=4 71 B12R2.32 c1cc2c(cc([nH]2)C=O)nc1 A2Z00096231 [0,1,0,0,1,0|1,0,1]=4 72 B12R2.32 c1cc2c(cc([nH]2)CO)nc1 A2Z00096517 [0,1,0,0,1,0|1,0,0]=3 73 B12R2.32 c1ccc2c(c1)cc(o2)CCl A2Z00096052 [0,1,0,0,1,0|2,0,0]=4 74 B12R2.32 c1ccc2c(c1)cc(o2)CN A2Z00096017 [0,1,0,0,1,0|2,0,0]=4 75 B12R2.32 c1ccc2c(c1)cc(o2)CO A2Z00096099 [0,1,0,0,1,0|2,0,0]=4 76 B12R2.202 Cc1cc2c(=O)[nH]cnc2s1 A2Z00066308 [0,1,0,0,1,0|2,0,0]=4 77 B12R2.202 Cc1cc2c([nH]1)cccc2O A2Z00096183 [0,1,0,0,1,0|2,0,0]=4 78 B12R2.202 Cc1cc2c(cccc2[nH]1)N A2Z00096014 [0,1,0,0,1,0|2,0,0]=4 79 B12R2.202 Cc1cc2c(s1)ncnc2Cl A2Z00068708 [0,1,0,0,1,0|2,0,0]=4 80 B12R2.606 Cc1cc2cc(ccc2[nH]1)F A2Z00094211 [0,1,0,0,1,0|2,0,0]=4 81 B12R2.44 COc1ccc2c(c1)[nH]cn2 A2Z00097328 [0,1,0,0,1,0|1,0,0]=3 82 B12R2.44 COc1ccc2c(c1)cc[nH]2 A2Z00047975 [0,1,0,0,1,0|0,0,1]=3 83 B12R2.44 COc1ccc2c(c1)nc[nH]2 A2Z00062449 [0,1,0,0,1,0|1,0,1]=4 84 B12R2.44 COc1ccc2c(c1)ncs2 A2Z00062352 [0,1,0,0,1,0|2,0,0]=4 85 B12R2.44 COc1ccc2c(n1)cc[nH]2 A2Z00096359 [0,1,0,0,1,0|1,0,1]=4 86 B12R2.44 c1cc2c(cc[nH]2)cc1C=O A2Z00096070 [0,1,0,0,1,0|0,0,2]=4 87 B12R2.82 Cc1c(ccc2n1ccn2)N A2Z00069913 [0,1,0,0,1,0|2,0,0]=4 88 B12R2.82 c1cc2c(cc[nH]2)c(c1N)Br A2Z00050243 [0,1,0,0,1,0|1,0,1]=4 89 B12R2.100 Cc1cc2c(cc1C)nn[nH]2 A2Z00070065 [0,1,0,0,1,0|2,0,0]=4 90 B12R2.100 Cc1cc2c(cc[nH]2)cc1N A2Z00050331 [0,1,0,0,1,0|1,0,0]=3 91 B12R2.246 Cc1cc(cn2c1ncc2)Br A2Z00069935 [0,1,0,0,1,0|2,0,0]=4 92 B14R2.8188 Cc1cc2ccccc2n(c1=O)C A2Z00095492 [0,2,0,0,0,0|2,0,0]=4 93 B14R2.142 CCc1ccc2c(c1)c(ccn2)O A2Z00057861 [0,2,0,0,0,0|0,0,0]=2 94 B14R2.781 CC(=O)c1ccc2ccccc2c1 A2Z00093569 [0,2,0,0,0,0|1,0,0]=3 95 B14R2.781 c1ccc2cc(ccc2c1)C(=O)O A2Z00097506 [0,2,0,0,0,0|1,0,1]=4 96 B14R2.1128 c1ccc2c(c1)cc(c(=O)[nH]2)CN A2Z00046462 [0,2,0,0,0,0|2,0,0]=4 97 B14R2.1801 COc1ccc2c(c1)cc[nH]c2=O A2Z00069903 [0,2,0,0,0,0|2,0,0]=4 98 B14R2.2332 c1cc(nc2c1cc(cc2)Cl)C=O A2Z00061657 [0,2,0,0,0,0|1,0,0]=3 99 B14R2.8239 Cc1cc2cc(ccc2[nH]c1=O)N A2Z00094168 [0,2,0,0,0,0|1,0,1]=4 100 B14R2.8239 Cc1cc2ccc(cc2[nH]c1=O)N A2Z00048848 [0,2,0,0,0,0|2,0,0]=4 101 B14R2.8239 Cc1ccc2c(c1)[nH]c(=O)c(=O)[nH]2 A2Z00096003 [0,2,0,0,0,0|1,0,1]=4 102 B14R2.8045 Cc1cc(=O)c2cccc(c2[nH]1)Cl A2Z00097513 [0,2,0,0,0,0|2,0,0]=4 103 B14R2.8045 Cc1cc(c2cccc(c2n1)O)O A2Z00061397 [0,2,0,0,0,0|2,0,0]=4 104 B14R2.8235 Cc1cc(=O)c2cc(ccc2[nH]1)Br A2Z00062171 [0,2,0,0,0,0|1,0,1]=4 105 B14R2.8235 Cc1cc(=O)c2cc(ccc2[nH]1)F A2Z00097504 [0,2,0,0,0,0|1,0,1]=4 106 B14R2.8235 Cc1cc(c2cc(ccc2n1)Br)O A2Z00059465 [0,2,0,0,0,0|1,0,0]=3 107 B14R2.8235 Cc1cc(c2cc(ccc2n1)Cl)Cl A2Z00061317 [0,2,0,0,0,0|1,0,0]=3 108 B14R2.8235 Cc1cc(c2cc(ccc2n1)Cl)O A2Z00058038 [0,2,0,0,0,0|1,0,0]=3 109 B14R2.8235 Cc1cc(c2cc(ccc2n1)F)O A2Z00060377 [0,2,0,0,0,0|1,0,0]=3 110 B14R2.8235 Cc1ccc2c(c1)c(cc(n2)C)O A2Z00058031 [0,2,0,0,0,0|0,0,0]=2 111 B14R2.8751 Cc1cc2c(ccc(c2cn1)Br)Br A2Z00097803 [0,2,0,0,0,0|2,0,0]=4 112 B14R2.8751 Cc1ccc2c(ccc(c2n1)O)Br A2Z00062340 [0,2,0,0,0,0|2,0,0]=4 113 B14R2.11684 c1cc2c(cc1Br)c(ncn2)NN A2Z00057150 [0,2,0,0,0,0|2,0,0]=4 114 B10R2.7 c1c[nH]c2c1cncc2 A2Z00096240 [1,0,0,0,1,0|1,0,1]=4 115 B10R2.7 c1cc2c(cc[nH]2)nc1 A2Z00096241 [1,0,0,0,1,0|1,0,0]=3 116 B10R2.7 c1cc2cc[nH]c2nc1 A2Z00096086 [1,0,0,0,1,0|1,0,0]=3 117 B10R2.7 c1ccc2c(c1)nsn2 A2Z00095239 [1,0,0,0,1,0|2,0,0]=4 118 B10R2.7 c1cnc2nccn2c1 A2Z00096376 [1,0,0,0,1,0|2,0,0]=4