0 B10R1.4 C=CCc1ccccc1O A2Z00093534 [0,0,0,0,0,0|2,0,1]=3 1 B10R1.4 CCOc1ccccc1O A2Z00093544 [0,0,0,0,0,0|3,0,0]=3 2 B10R1.4 CCOc1cccnc1N A2Z00069857 [0,0,0,0,0,0|4,0,0]=4 3 B10R1.4 c1ccc(c(c1)CCN)F A2Z00097645 [0,0,0,0,0,0|1,0,0]=1 4 B10R1.4 c1ccc(c(c1)CCN)O A2Z00049546 [0,0,0,0,0,0|1,0,0]=1 5 B9R1.8 CNCc1ccccc1 A2Z00093451 [1,0,0,0,0,0|2,0,0]=3 6 B9R1.8 [C]=NCc1ccccc1 A2Z00049869 [1,0,0,0,0,0|2,0,0]=3 7 B9R1.8 c1ccc(cc1)CC#N A2Z00093470 [1,0,0,0,0,0|0,0,2]=3 8 B9R1.8 c1ccc(cc1)CCBr A2Z00093579 [1,0,0,0,0,0|1,0,0]=2 9 B9R1.8 c1ccc(cc1)CCN A2Z00046190 [1,0,0,0,0,0|0,0,0]=1 10 B9R1.8 c1ccc(cc1)CNN A2Z00062153 [1,0,0,0,0,0|1,0,0]=2 11 B9R1.8 c1ccnc(c1)CC#N A2Z00097354 [1,0,0,0,0,0|1,0,2]=4 12 B9R1.15 CCc1ccccc1O A2Z00093520 [1,0,0,0,0,0|1,0,0]=2 13 B9R1.15 COc1cccnc1N A2Z00069850 [1,0,0,0,0,0|3,0,0]=4 14 B9R1.15 c1cc(c(nc1)CN)F A2Z00050387 [1,0,0,0,0,0|2,0,0]=3 15 B9R1.15 c1ccc(c(c1)C#N)N A2Z00038643 [1,0,0,0,0,0|1,0,2]=4 16 B9R1.15 c1ccc(c(c1)C=O)F A2Z00093476 [1,0,0,0,0,0|2,0,1]=4 17 B9R1.15 c1ccc(c(c1)C=O)O A2Z00038632 [1,0,0,0,0,0|2,0,1]=4 18 B9R1.15 c1ccc(c(c1)CN)Cl A2Z00093435 [1,0,0,0,0,0|1,0,0]=2 19 B9R1.15 c1ccc(c(c1)CO)Br A2Z00097426 [1,0,0,0,0,0|2,0,0]=3 20 B9R1.15 c1ccc(c(c1)ON)F A2Z00050391 [1,0,0,0,0,0|2,0,0]=3 21 B11R1.17 CCCOc1cccnc1N A2Z00069856 [0,1,0,0,0,0|3,0,0]=4 22 B11R1.17 Cc1ccccc1OCC#N A2Z00093924 [0,1,0,0,0,0|0,0,2]=3 23 B11R1.17 Cc1ccccc1OCCN A2Z00038376 [0,1,0,0,0,0|0,0,0]=1 24 B11R1.17 c1ccc(c(c1)OCC#N)Cl A2Z00038567 [0,1,0,0,0,0|1,0,2]=4 25 B11R1.41 COc1ccccc1CC#N A2Z00093472 [0,1,0,0,0,0|0,0,2]=3 26 B11R1.41 COc1ccccc1CCO A2Z00095930 [0,1,0,0,0,0|1,0,0]=2 27 B11R1.86 Cc1cccc[n+]1CC(=O)C A2Z00058852 [0,1,0,0,0,0|2,0,1]=4 28 B11R1.86 Cc1ccccc1NC(=N)N A2Z00074248 [0,1,0,0,0,0|1,0,1]=3 29 B11R1.86 c1ccc(c(c1)CC(=O)O)F A2Z00061208 [0,1,0,0,0,0|2,0,1]=4 30 B11R1.182 C=CCc1cc(ccc1O)Cl A2Z00074141 [0,1,0,0,0,0|2,0,1]=4 31 B11R1.222 CCC(=O)c1ccccc1Br A2Z00049411 [0,1,0,0,0,0|2,0,1]=4 32 B11R1.222 Cc1ccccc1C(=O)OC A2Z00095993 [0,1,0,0,0,0|2,0,1]=4 33 B11R1.222 Cc1ccccc1\C(=N\O)\N A2Z00096102 [0,1,0,0,0,0|2,0,1]=4 34 B11R1.222 c1ccc(c(c1)C(=O)NN)Br A2Z00014686 [0,1,0,0,0,0|2,0,1]=4 35 B11R1.222 c1ccc(c(c1)C(=O)NN)F A2Z00014684 [0,1,0,0,0,0|2,0,1]=4 36 B11R1.222 c1ccc(c(c1)C(=O)NN)N A2Z00097814 [0,1,0,0,0,0|2,0,1]=4 37 B11R2.10 c1ccc2c(c1)nc(s2)N A2Z00007218 [0,0,0,1,0,0|2,0,1]=4 38 B11R2.106 C[n+]1cccc2c1cc[nH]2 A2Z00096715 [0,0,0,1,0,0|1,0,2]=4 39 B9R1.33 Cc1nccn1CCN A2Z00087583 [0,0,0,0,1,0|2,0,0]=3 40 B9R1.33 Cn1cncc1CCN A2Z00095118 [0,0,0,0,1,0|2,0,0]=3 41 B9R1.33 c1[nH]c(c(n1)Br)CCN A2Z00095043 [0,0,0,0,1,0|3,0,0]=4 42 B8R1.2 CCc1ccncc1 A2Z00096081 [2,0,0,0,0,0|1,0,0]=3 43 B8R1.2 CSc1ccccc1 A2Z00096090 [2,0,0,0,0,0|1,0,0]=3 44 B8R1.2 c1cc(cnc1)CN A2Z00093433 [2,0,0,0,0,0|1,0,0]=3 45 B8R1.2 c1ccc(cc1)CN A2Z00095042 [2,0,0,0,0,0|0,0,0]=2 46 B8R1.2 c1ccnc(c1)NN A2Z00097841 [2,0,0,0,0,0|2,0,0]=4 47 B8R1.5 C1=CC(=O)C(=O)C=C1 A2Z00049590 [2,0,0,0,0,0|2,0,0]=4 48 B8R1.5 Cc1c(nccn1)C A2Z00050186 [2,0,0,0,0,0|2,0,0]=4 49 B8R1.5 Cc1ccc[nH]c1=O A2Z00097918 [2,0,0,0,0,0|2,0,0]=4 50 B8R1.5 Cc1ccccc1N A2Z00093501 [2,0,0,0,0,0|0,0,0]=2 51 B8R1.5 Cc1cccnc1Cl A2Z00098033 [2,0,0,0,0,0|2,0,0]=4 52 B8R1.5 Cc1cccnc1N A2Z00070216 [2,0,0,0,0,0|1,0,0]=3 53 B8R1.5 c1cc(c(nc1)Cl)N A2Z00080206 [2,0,0,0,0,0|2,0,0]=4 54 B8R1.5 c1cc(c(nc1)N)Cl A2Z00009567 [2,0,0,0,0,0|2,0,0]=4 55 B8R1.5 c1cc(c(nc1)N)O A2Z00069848 [2,0,0,0,0,0|2,0,0]=4 56 B8R1.5 c1ccc(c(c1)N)F A2Z00093504 [2,0,0,0,0,0|1,0,0]=3 57 B8R1.5 c1ccc(c(c1)N)I A2Z00083429 [2,0,0,0,0,0|1,0,0]=3 58 B8R1.5 c1ccc(c(c1)O)Cl A2Z00093529 [2,0,0,0,0,0|2,0,0]=4 59 B8R1.5 c1ccc(c(c1)O)F A2Z00096082 [2,0,0,0,0,0|2,0,0]=4 60 B10R1.1 CCCc1ccc(cc1)O A2Z00038635 [1,1,0,0,0,0|1,0,0]=3 61 B10R1.1 CCOc1ccc(cc1)N A2Z00069288 [1,1,0,0,0,0|2,0,0]=4 62 B10R1.1 c1cc(ccc1CC#N)Cl A2Z00038621 [1,1,0,0,0,0|0,0,2]=4 63 B10R1.1 c1cc(ccc1CC#N)F A2Z00095964 [1,1,0,0,0,0|0,0,2]=4 64 B10R1.1 c1cc(ccc1CCN)F A2Z00093996 [1,1,0,0,0,0|0,0,0]=2 65 B10R1.1 c1cc(ccc1CCN)O A2Z00038672 [1,1,0,0,0,0|0,0,0]=2 66 B10R1.1 c1cc(ccc1CCO)Br A2Z00098377 [1,1,0,0,0,0|1,0,0]=3 67 B10R1.10 CNCc1cccc(c1)O A2Z00038697 [1,1,0,0,0,0|2,0,0]=4 68 B10R1.10 Cc1cccc(c1)CCN A2Z00046191 [1,1,0,0,0,0|0,0,0]=2 69 B10R1.10 c1cc(cc(c1)Cl)CCN A2Z00093997 [1,1,0,0,0,0|0,0,0]=2 70 B10R1.15 CC(C#N)c1ccccc1 A2Z00070459 [1,1,0,0,0,0|0,0,2]=4 71 B10R1.15 CC(CN)c1ccccn1 A2Z00062148 [1,1,0,0,0,0|1,0,0]=3 72 B10R1.15 CC(c1ccccc1)NO A2Z00047942 [1,1,0,0,0,0|2,0,0]=4 73 B10R1.17 CCNCc1ccccc1 A2Z00093459 [1,1,0,0,0,0|1,0,0]=3 74 B10R1.17 CNCCc1ccncc1 A2Z00061328 [1,1,0,0,0,0|1,0,0]=3 75 B10R1.17 c1cc(cnc1)CCCN A2Z00046192 [1,1,0,0,0,0|1,0,0]=3 76 B10R1.17 c1ccc(cc1)CCNN A2Z00095988 [1,1,0,0,0,0|0,0,0]=2 77 B10R1.17 c1ccc(cc1)CCNN A2Z00096724 [1,1,0,0,0,0|0,0,0]=2 78 B10R1.17 c1ccc(cc1)CN=C=O A2Z00094082 [1,1,0,0,0,0|1,0,1]=4 79 B10R1.17 c1ccc(cc1)CN=[N+]=[N-] A2Z00096066 [1,1,0,0,0,0|1,0,1]=4 80 B10R1.17 c1ccc(cc1)OCC#N A2Z00093923 [1,1,0,0,0,0|0,0,2]=4 81 B10R1.17 c1ccc(cc1)OCCO A2Z00038602 [1,1,0,0,0,0|1,0,0]=3 82 B10R1.17 c1ccc(cc1)OCCS A2Z00049974 [1,1,0,0,0,0|1,0,0]=3 83 B10R1.17 c1ccnc(c1)CCC#N A2Z00094742 [1,1,0,0,0,0|1,0,1]=4 84 B10R1.18 c1ccc(cc1)CC(=O)Cl A2Z00093442 [1,1,0,0,0,0|1,0,1]=4 85 B10R1.18 c1ccc(cc1)CC(=S)N A2Z00083382 [1,1,0,0,0,0|0,0,1]=3 86 B10R1.18 c1ccc(cc1)SC(F)F A2Z00049186 [1,1,0,0,0,0|2,0,0]=4 87 B10R1.2 CCc1cccc(c1N)C A2Z00093535 [1,1,0,0,0,0|1,0,0]=3 88 B10R1.2 Cc1c(cccc1Cl)NN A2Z00048070 [1,1,0,0,0,0|1,0,0]=3 89 B10R1.2 c1cc(c(c(c1)F)Br)CO A2Z00096539 [1,1,0,0,0,0|2,0,0]=4 90 B10R1.20 COc1ccccc1OC A2Z00093543 [1,1,0,0,0,0|1,0,0]=3 91 B10R1.20 CSc1ccccc1CCl A2Z00061412 [1,1,0,0,0,0|1,0,0]=3 92 B10R1.20 CSc1ccccc1CO A2Z00061413 [1,1,0,0,0,0|1,0,0]=3 93 B10R1.20 c1ccc(c(c1)CCl)C#N A2Z00085505 [1,1,0,0,0,0|0,0,2]=4 94 B10R1.25 COc1ccc(cc1Cl)N A2Z00093461 [1,1,0,0,0,0|2,0,0]=4 95 B10R1.25 COc1ccc(cc1N)Cl A2Z00038607 [1,1,0,0,0,0|2,0,0]=4 96 B10R1.25 Cc1cc(ccc1N=O)O A2Z00061533 [1,1,0,0,0,0|2,0,0]=4 97 B10R1.25 Cc1ccc(c(c1)C)CBr A2Z00098030 [1,1,0,0,0,0|1,0,0]=3 98 B10R1.30 CCc1cc(ccc1O)Br A2Z00038711 [1,1,0,0,0,0|1,0,0]=3 99 B10R1.30 CSc1cc(ccc1N)O A2Z00095086 [1,1,0,0,0,0|2,0,0]=4 100 B10R1.30 Cc1ccc(c(c1)OC)N A2Z00096811 [1,1,0,0,0,0|2,0,0]=4 101 B10R1.30 Cc1ccc(c(c1)OC)O A2Z00096094 [1,1,0,0,0,0|2,0,0]=4 102 B10R1.30 Cc1ccc(cc1OC)F A2Z00070456 [1,1,0,0,0,0|1,0,0]=3 103 B10R1.61 CC(C)c1ccccc1N A2Z00038647 [1,1,0,0,0,0|1,0,0]=3 104 B10R1.61 CC(C)c1ccccc1O A2Z00093538 [1,1,0,0,0,0|1,0,0]=3 105 B10R1.61 CC(c1ccncc1F)O A2Z00050485 [1,1,0,0,0,0|2,0,0]=4 106 B10R1.61 CN(C)c1ccccc1Br A2Z00062284 [1,1,0,0,0,0|2,0,0]=4 107 B10R1.61 Cc1ccccc1C(=O)N A2Z00085447 [1,1,0,0,0,0|0,0,1]=3 108 B10R1.61 c1ccc(c(c1)C(=N)N)F A2Z00074261 [1,1,0,0,0,0|1,0,1]=4 109 B10R1.61 c1ccc(c(c1)C(=O)N)O A2Z00062157 [1,1,0,0,0,0|1,0,1]=4 110 B10R1.61 c1ccc(c(c1)C(=S)N)Cl A2Z00098305 [1,1,0,0,0,0|1,0,1]=4 111 B10R1.61 c1ccc(c(c1)C(=S)N)F A2Z00038401 [1,1,0,0,0,0|1,0,1]=4 112 B10R1.245 c1cc(c(c(c1)Cl)CCl)Cl A2Z00038668 [1,1,0,0,0,0|2,0,0]=4 113 B10R1.245 c1cc(c(c(c1)Cl)CCl)F A2Z00038665 [1,1,0,0,0,0|2,0,0]=4 114 B10R1.130 Cc1cc(n(n1)CCN)C A2Z00061185 [0,1,0,0,1,0|2,0,0]=4 115 B12R1.24 CCC(=O)c1cccc(c1C)C A2Z00050004 [0,2,0,0,0,0|1,0,1]=4 116 B12R1.69 CCCOc1ccc(cc1N)C A2Z00096812 [0,2,0,0,0,0|2,0,0]=4 117 B12R1.121 CNCCc1ccccc1OC A2Z00045069 [0,2,0,0,0,0|0,0,0]=2 118 B12R1.125 Cc1ccccc1NCC(=O)O A2Z00083483 [0,2,0,0,0,0|1,0,1]=4 119 B12R1.125 Cc1ccccc1OCC(=S)N A2Z00038413 [0,2,0,0,0,0|0,0,1]=3 120 B12R1.125 c1ccc(c(c1)CCC(=O)O)Cl A2Z00095189 [0,2,0,0,0,0|2,0,0]=4 121 B12R1.125 c1ccc(c(c1)CCC(=O)O)F A2Z00039158 [0,2,0,0,0,0|2,0,0]=4 122 B12R1.267 Cc1ccccc1CCCCN A2Z00046200 [0,2,0,0,0,0|0,0,0]=2 123 B12R1.267 c1ccc(c(c1)CCCCN)Cl A2Z00046207 [0,2,0,0,0,0|1,0,0]=3 124 B12R1.267 c1ccc(c(c1)CCCCN)Cl A2Z00095491 [0,2,0,0,0,0|1,0,0]=3 125 B12R1.267 c1ccc(c(c1)CCCCN)F A2Z00046202 [0,2,0,0,0,0|1,0,0]=3 126 B12R1.308 CCCC(=O)c1ccccc1F A2Z00048886 [0,2,0,0,0,0|2,0,0]=4 127 B12R1.308 CCOC(=O)c1ccccc1C A2Z00098049 [0,2,0,0,0,0|1,0,1]=4 128 B12R1.308 CNCC(c1ccccc1Cl)O A2Z00046551 [0,2,0,0,0,0|1,0,0]=3 129 B12R1.371 Cc1ccccc1CC(=O)OC A2Z00095982 [0,2,0,0,0,0|1,0,1]=4 130 B12R1.371 Cc1ccccc1OC(=O)CN A2Z00049392 [0,2,0,0,0,0|0,0,1]=3 131 B12R1.374 c1cc(=O)n(cc1Cl)CCCN A2Z00069355 [0,2,0,0,0,0|2,0,0]=4 132 B12R1.1631 Cc1cccc(c1OCC#N)C A2Z00038565 [0,2,0,0,0,0|0,0,2]=4 133 B12R1.1631 Cc1cccc(c1OCCN)C A2Z00038366 [0,2,0,0,0,0|0,0,0]=2 134 B12R1.1631 c1cc(c(c(c1)Cl)CCCN)F A2Z00046196 [0,2,0,0,0,0|1,0,0]=3 135 B12R1.1631 c1cc(c(c(c1)F)CCON)F A2Z00062408 [0,2,0,0,0,0|1,0,0]=3 136 B12R1.75 COc1ccccc1CC(=O)O A2Z00095972 [0,2,0,0,0,0|1,0,1]=4 137 B12R1.75 CSc1ccccc1CC(=O)O A2Z00061735 [0,2,0,0,0,0|1,0,1]=4 138 B12R1.77 CC(CO)c1ccccc1OC A2Z00049193 [0,2,0,0,0,0|1,0,0]=3 139 B12R1.77 COc1ccccc1C(=O)NN A2Z00014664 [0,2,0,0,0,0|1,0,1]=4 140 B12R1.283 CCOc1ccccc1C(=O)C A2Z00082284 [0,2,0,0,0,0|2,0,0]=4 141 B12R1.1123 CCOc1cc(c(cc1C)N)C A2Z00056976 [0,2,0,0,0,0|2,0,0]=4 142 B12R1.1123 Cc1cc(c(cc1CCN)O)O A2Z00050368 [0,2,0,0,0,0|0,0,0]=2 143 B12R1.1703 Cc1ccc(c(c1)C)C(=O)CCl A2Z00048050 [0,2,0,0,0,0|1,0,1]=4 144 B12R1.151 Cc1ccccc1CS(=O)(=O)Cl A2Z00041381 [0,2,0,0,0,0|2,0,0]=4 145 B12R1.354 Cc1ccc(c(c1)C(=O)CCl)C A2Z00048098 [0,2,0,0,0,0|1,0,1]=4 146 B12R1.195 CC(C)(CN)c1ccccc1F A2Z00061607 [0,2,0,0,0,0|1,0,0]=3 147 B10R2.6 c1ccc(cc1)C2CN2 A2Z00049782 [1,0,0,1,0,0|0,0,0]=2 148 B12R2.202 Cc1cccc2c1nc(s2)N A2Z00059530 [0,1,0,1,0,0|1,0,1]=4 149 B12R2.202 c1cc2c(c(c1)Cl)CC(=O)N2 A2Z00095173 [0,1,0,1,0,0|1,0,1]=4 150 B12R2.1081 c1cc(c2c(c1)OCCN2)N A2Z00094529 [0,1,0,1,0,0|2,0,0]=4 151 B12R2.1081 c1cc2c(c(c1)N)NCCC2 A2Z00046541 [0,1,0,1,0,0|2,0,0]=4 152 B12R2.1081 c1cc2c(c(c1)O)CCCC2 A2Z00094829 [0,1,0,1,0,0|1,0,0]=3 153 B12R2.1081 c1ccc2c(c1)C(CCN2)O A2Z00049675 [0,1,0,1,0,0|2,0,0]=4 154 B12R2.1081 c1ccc2c(c1)C(CCO2)N A2Z00073612 [0,1,0,1,0,0|2,0,0]=4 155 B12R2.24 CC1CNc2ccccc2O1 A2Z00070209 [0,1,0,1,0,0|2,0,0]=4 156 B12R2.24 CC1Cc2ccccc2NC1 A2Z00046499 [0,1,0,1,0,0|1,0,0]=3 157 B12R2.24 c1cc2c(cc1N)CCCN2 A2Z00047925 [0,1,0,1,0,0|2,0,0]=4 158 B12R2.24 c1cc2c(cc1N)CNCC2 A2Z00049912 [0,1,0,1,0,0|0,0,0]=2 159 B12R2.24 c1cc2c(cc1N)CNCC2 A2Z00095970 [0,1,0,1,0,0|0,0,0]=2 160 B12R2.24 c1cc2c(cc1N)NCCC2 A2Z00047924 [0,1,0,1,0,0|2,0,0]=4 161 B12R2.24 c1ccc2c(c1)CCC(=O)N2 A2Z00074166 [0,1,0,1,0,0|2,0,0]=4 162 B12R2.32 c1ccc2c(c1)cc(o2)CN A2Z00096017 [0,1,0,1,0,0|0,0,2]=4 163 B12R2.1 c1ccc2c(c1)c(c[nH]2)CN A2Z00044917 [0,1,0,1,0,0|0,0,2]=4 164 B12R2.2048 COc1ccccc1C2CO2 A2Z00047947 [0,1,0,1,0,0|1,0,0]=3 165 B12R2.606 CN1Cc2ccc(cc2C1)N A2Z00061635 [0,1,0,1,0,0|2,0,0]=4 166 B12R2.88 c1ccc(c(c1)C2(CC2)N)F A2Z00061609 [0,1,0,1,0,0|2,0,0]=4 167 B8R1.8 c1c([nH]cn1)CCN A2Z00050399 [1,0,0,0,1,0|2,0,0]=4 168 B8R1.8 c1c([nH]cn1)CCN A2Z00096061 [1,0,0,0,1,0|2,0,0]=4 169 B8R1.8 c1c(nc[nH]1)CCN A2Z00050200 [1,0,0,0,1,0|2,0,0]=4 170 B8R1.8 c1c(nc[nH]1)CCN A2Z00096418 [1,0,0,0,1,0|2,0,0]=4 171 B8R1.8 c1c(ncs1)CCN A2Z00049940 [1,0,0,0,1,0|2,0,0]=4 172 B8R1.8 c1cc(sc1)CCBr A2Z00096130 [1,0,0,0,1,0|2,0,0]=4 173 B8R1.8 c1cc(sc1)CCO A2Z00095929 [1,0,0,0,1,0|2,0,0]=4 174 B8R1.8 c1cn(cn1)CCN A2Z00087582 [1,0,0,0,1,0|2,0,0]=4 175 B8R1.8 c1cnn(c1)CCN A2Z00087581 [1,0,0,0,1,0|2,0,0]=4 176 B8R1.8 c1csc(n1)CCN A2Z00061620 [1,0,0,0,1,0|2,0,0]=4 177 B8R1.11 Cn1ccnc1CN A2Z00061417 [1,0,0,0,1,0|2,0,0]=4