0 B10R1.10 CNCc1cccc(c1)O A2Z00038697 [0,0,0,0,0,0|3,0,0]=3 1 B10R1.10 Cc1cccc(c1)CCN A2Z00046191 [0,0,0,0,0,0|1,0,0]=1 2 B10R1.10 c1cc(cc(c1)Cl)CCN A2Z00093997 [0,0,0,0,0,0|0,1,0]=1 3 B9R1.2 CCc1cccc(c1)O A2Z00038644 [1,0,0,0,0,0|1,0,0]=2 4 B9R1.2 CNc1cccc(c1)O A2Z00057021 [1,0,0,0,0,0|2,0,0]=3 5 B9R1.2 COc1cccc(c1)O A2Z00093458 [1,0,0,0,0,0|2,0,0]=3 6 B9R1.2 c1cc(cc(c1)Br)ON A2Z00096321 [1,0,0,0,0,0|1,1,0]=3 7 B9R1.2 c1cc(cc(c1)Cl)C#N A2Z00095978 [1,0,0,0,0,0|0,1,2]=4 8 B9R1.2 c1cc(cc(c1)N)CN A2Z00095152 [1,0,0,0,0,0|1,0,0]=2 9 B9R1.2 c1cc(cc(c1)O)C=O A2Z00093516 [1,0,0,0,0,0|2,0,1]=4 10 B9R1.8 CNCc1ccccc1 A2Z00093451 [1,0,0,0,0,0|2,0,0]=3 11 B9R1.8 [C]=NCc1ccccc1 A2Z00049869 [1,0,0,0,0,0|2,0,0]=3 12 B9R1.8 c1ccc(cc1)CC#N A2Z00093470 [1,0,0,0,0,0|0,0,2]=3 13 B9R1.8 c1ccc(cc1)CCBr A2Z00093579 [1,0,0,0,0,0|1,0,0]=2 14 B9R1.8 c1ccc(cc1)CCN A2Z00046190 [1,0,0,0,0,0|0,0,0]=1 15 B9R1.8 c1ccc(cc1)CNN A2Z00062153 [1,0,0,0,0,0|1,0,0]=2 16 B9R1.8 c1ccnc(c1)CC#N A2Z00097354 [1,0,0,0,0,0|1,0,2]=4 17 B11R1.23 Cc1cccc(c1)C(=O)NN A2Z00014683 [0,1,0,0,0,0|2,0,1]=4 18 B11R1.23 c1cc(cc(c1)Br)C(CO)N A2Z00049261 [0,1,0,0,0,0|1,1,0]=3 19 B11R1.23 c1cc(cc(c1)Cl)C(=O)CBr A2Z00096150 [0,1,0,0,0,0|1,1,1]=4 20 B11R1.23 c1cc(cc(c1)Cl)C(=O)CN A2Z00096028 [0,1,0,0,0,0|0,1,1]=3 21 B11R1.23 c1cc(cc(c1)Cl)C(=O)NN A2Z00014653 [0,1,0,0,0,0|1,1,1]=4 22 B11R1.23 c1cc(cc(c1)Cl)C(CN)O A2Z00094086 [0,1,0,0,0,0|0,1,0]=2 23 B11R1.23 c1cc(cc(c1)O)C(=O)NN A2Z00014681 [0,1,0,0,0,0|2,0,1]=4 24 B11R1.24 CCCOc1cccc(c1)N A2Z00056908 [0,1,0,0,0,0|2,0,0]=3 25 B11R1.24 Cc1cccc(c1)CCC#N A2Z00048894 [0,1,0,0,0,0|1,0,1]=3 26 B11R1.24 Cc1cccc(c1)CCCN A2Z00093999 [0,1,0,0,0,0|1,0,0]=2 27 B11R1.24 Cc1cccc(c1)OCC#N A2Z00093937 [0,1,0,0,0,0|1,0,2]=4 28 B11R1.24 Cc1cccc(c1)OCCN A2Z00038377 [0,1,0,0,0,0|1,0,0]=2 29 B11R1.24 c1cc(cc(c1)Br)OCCN A2Z00038575 [0,1,0,0,0,0|0,1,0]=2 30 B11R1.24 c1cc(cc(c1)Cl)CCC#N A2Z00048896 [0,1,0,0,0,0|0,1,1]=3 31 B11R1.24 c1cc(cc(c1)Cl)CCCN A2Z00046195 [0,1,0,0,0,0|0,1,0]=2 32 B11R1.24 c1cc(cc(c1)O)CCCN A2Z00047984 [0,1,0,0,0,0|1,0,0]=2 33 B11R1.34 c1c(cc(cc1Cl)Cl)CC#N A2Z00062312 [0,1,0,0,0,0|0,1,2]=4 34 B11R1.157 CC(=O)Cc1cccc(c1)Br A2Z00095995 [0,1,0,0,0,0|1,1,1]=4 35 B11R1.157 CC(C)Cc1cccc(c1)N A2Z00048066 [0,1,0,0,0,0|2,0,0]=3 36 B11R1.157 CN(C)Cc1cccc(c1)O A2Z00049745 [0,1,0,0,0,0|3,0,0]=4 37 B11R1.157 Cc1cccc(c1)CC(=O)C A2Z00046562 [0,1,0,0,0,0|2,0,1]=4 38 B11R1.182 C=CCc1cc(ccc1O)Cl A2Z00074141 [0,1,0,0,0,0|1,1,1]=4 39 B11R1.192 c1cc(c(cc1CC#N)O)O A2Z00049586 [0,1,0,0,0,0|1,0,2]=4 40 B11R2.36 Cc1ccc2c(c1)nc[nH]2 A2Z00095954 [0,0,0,1,0,0|2,0,1]=4 41 B11R2.36 c1cc2c(cc1Br)CCN2 A2Z00094288 [0,0,0,1,0,0|0,1,0]=2 42 B11R2.36 c1cc2c(cc1O)nc[nH]2 A2Z00062450 [0,0,0,1,0,0|2,0,1]=4 43 B11R2.36 c1cc2c(cc[nH]2)cc1Br A2Z00097905 [0,0,0,1,0,0|0,1,2]=4 44 B11R2.36 c1cc2c(cc[nH]2)cc1N A2Z00096013 [0,0,0,1,0,0|1,0,2]=4 45 B9R1.7 Cc1[nH]cc(n1)CCN A2Z00047928 [0,0,0,0,1,0|3,0,0]=4 46 B9R1.7 Cc1cc(no1)CCN A2Z00047210 [0,0,0,0,1,0|3,0,0]=4 47 B9R1.7 Cc1cnc(o1)CCN A2Z00046155 [0,0,0,0,1,0|3,0,0]=4 48 B9R1.7 Cc1cnc(s1)CCN A2Z00061527 [0,0,0,0,1,0|3,0,0]=4 49 B9R1.7 Cc1csc(n1)CCN A2Z00061500 [0,0,0,0,1,0|3,0,0]=4 50 B9R1.7 Cc1csc(n1)CCN A2Z00083557 [0,0,0,0,1,0|3,0,0]=4 51 B9R1.7 Cc1nc(cs1)CCN A2Z00039139 [0,0,0,0,1,0|3,0,0]=4 52 B9R1.7 Cc1nc(cs1)CCN A2Z00083452 [0,0,0,0,1,0|3,0,0]=4 53 B9R1.7 Cn1cc(nc1)CCN A2Z00049691 [0,0,0,0,1,0|3,0,0]=4 54 B9R1.7 Cn1cc(nc1)CCN A2Z00096419 [0,0,0,0,1,0|3,0,0]=4 55 B9R1.33 Cc1nccn1CCN A2Z00087583 [0,0,0,0,1,0|3,0,0]=4 56 B9R1.33 Cn1cncc1CCN A2Z00095118 [0,0,0,0,1,0|3,0,0]=4 57 B9R1.33 c1[nH]c(c(n1)Br)CCN A2Z00095043 [0,0,0,0,1,0|2,1,0]=4 58 B8R1.2 CCc1ccncc1 A2Z00096081 [2,0,0,0,0,0|1,0,0]=3 59 B8R1.2 CSc1ccccc1 A2Z00096090 [2,0,0,0,0,0|1,0,0]=3 60 B8R1.2 c1cc(cnc1)CN A2Z00093433 [2,0,0,0,0,0|1,0,0]=3 61 B8R1.2 c1ccc(cc1)CN A2Z00095042 [2,0,0,0,0,0|0,0,0]=2 62 B8R1.2 c1ccnc(c1)NN A2Z00097841 [2,0,0,0,0,0|2,0,0]=4 63 B8R1.4 Cc1cc(ccn1)N A2Z00094484 [2,0,0,0,0,0|2,0,0]=4 64 B8R1.4 Cc1cc(cnc1)Br A2Z00096423 [2,0,0,0,0,0|1,1,0]=4 65 B8R1.4 Cc1cc[nH]c(=O)c1 A2Z00069805 [2,0,0,0,0,0|2,0,0]=4 66 B8R1.4 Cc1cccc(c1)Cl A2Z00093526 [2,0,0,0,0,0|0,1,0]=3 67 B8R1.4 Cc1ccnc(c1)N A2Z00098974 [2,0,0,0,0,0|2,0,0]=4 68 B8R1.4 c1cc(cc(c1)O)N A2Z00068658 [2,0,0,0,0,0|1,0,0]=3 69 B8R1.4 c1cc(nc(c1)Br)N A2Z00097429 [2,0,0,0,0,0|1,1,0]=4 70 B8R1.4 c1cc(nc(c1)Cl)N A2Z00070321 [2,0,0,0,0,0|1,1,0]=4 71 B8R1.4 c1cnc(cc1Br)N A2Z00009572 [2,0,0,0,0,0|1,1,0]=4 72 B8R1.4 c1cnc(cc1Cl)N A2Z00066329 [2,0,0,0,0,0|1,1,0]=4 73 B8R1.4 c1cnc(cc1N)Br A2Z00009574 [2,0,0,0,0,0|1,1,0]=4 74 B10R1.2 CCc1cccc(c1N)C A2Z00093535 [1,1,0,0,0,0|1,0,0]=3 75 B10R1.2 Cc1c(cccc1Cl)NN A2Z00048070 [1,1,0,0,0,0|1,1,0]=4 76 B10R1.2 c1cc(c(c(c1)F)Br)CO A2Z00096539 [1,1,0,0,0,0|1,0,0]=3 77 B10R1.8 c1c(cc(cc1Cl)Cl)CO A2Z00097425 [1,1,0,0,0,0|1,1,0]=4 78 B10R1.8 c1c(cc(cc1F)F)C=O A2Z00097424 [1,1,0,0,0,0|1,0,1]=4 79 B10R1.30 CCc1cc(ccc1O)Br A2Z00038711 [1,1,0,0,0,0|0,1,0]=3 80 B10R1.30 CSc1cc(ccc1N)O A2Z00095086 [1,1,0,0,0,0|2,0,0]=4 81 B10R1.30 Cc1ccc(c(c1)OC)N A2Z00096811 [1,1,0,0,0,0|2,0,0]=4 82 B10R1.30 Cc1ccc(c(c1)OC)O A2Z00096094 [1,1,0,0,0,0|2,0,0]=4 83 B10R1.30 Cc1ccc(cc1OC)F A2Z00070456 [1,1,0,0,0,0|1,0,0]=3 84 B10R1.113 CC(=O)c1cccc(c1)Cl A2Z00095936 [1,1,0,0,0,0|0,1,1]=4 85 B10R1.113 CC(C)c1cccc(c1)O A2Z00093539 [1,1,0,0,0,0|1,0,0]=3 86 B10R1.113 CN(C)c1cccc(c1)Br A2Z00097362 [1,1,0,0,0,0|1,1,0]=4 87 B10R1.113 CN(C)c1cccc(c1)N A2Z00061693 [1,1,0,0,0,0|2,0,0]=4 88 B10R1.113 c1cc(cc(c1)Cl)C(=O)N A2Z00095951 [1,1,0,0,0,0|0,1,1]=4 89 B10R1.113 c1cc(cc(c1)F)C(=O)O A2Z00085462 [1,1,0,0,0,0|1,0,1]=4 90 B10R1.172 c1cc(cc(c1)C#N)CCl A2Z00085506 [1,1,0,0,0,0|2,0,0]=4 91 B10R1.172 c1cc(cc(c1)C#N)CS A2Z00070136 [1,1,0,0,0,0|2,0,0]=4 92 B10R1.176 CCc1ccc(c(c1)N)C A2Z00048060 [1,1,0,0,0,0|1,0,0]=3 93 B10R1.176 COc1ccc(c(c1)Br)O A2Z00050158 [1,1,0,0,0,0|1,1,0]=4 94 B10R1.176 COc1ccc(c(c1)N)N A2Z00097879 [1,1,0,0,0,0|2,0,0]=4 95 B10R1.176 Cc1ccc(cc1N)OC A2Z00070457 [1,1,0,0,0,0|2,0,0]=4 96 B10R1.1 CCCc1ccc(cc1)O A2Z00038635 [1,1,0,0,0,0|1,0,0]=3 97 B10R1.1 CCOc1ccc(cc1)N A2Z00069288 [1,1,0,0,0,0|2,0,0]=4 98 B10R1.1 c1cc(ccc1CC#N)Cl A2Z00038621 [1,1,0,0,0,0|0,0,2]=4 99 B10R1.1 c1cc(ccc1CC#N)F A2Z00095964 [1,1,0,0,0,0|0,0,2]=4 100 B10R1.1 c1cc(ccc1CCN)F A2Z00093996 [1,1,0,0,0,0|0,0,0]=2 101 B10R1.1 c1cc(ccc1CCN)O A2Z00038672 [1,1,0,0,0,0|0,0,0]=2 102 B10R1.1 c1cc(ccc1CCO)Br A2Z00098377 [1,1,0,0,0,0|1,0,0]=3 103 B10R1.4 C=CCc1ccccc1O A2Z00093534 [1,1,0,0,0,0|1,0,1]=4 104 B10R1.4 CCOc1ccccc1O A2Z00093544 [1,1,0,0,0,0|2,0,0]=4 105 B10R1.4 c1ccc(c(c1)CCN)F A2Z00097645 [1,1,0,0,0,0|0,0,0]=2 106 B10R1.4 c1ccc(c(c1)CCN)O A2Z00049546 [1,1,0,0,0,0|0,0,0]=2 107 B10R1.15 CC(C#N)c1ccccc1 A2Z00070459 [1,1,0,0,0,0|0,0,2]=4 108 B10R1.15 CC(CN)c1ccccn1 A2Z00062148 [1,1,0,0,0,0|1,0,0]=3 109 B10R1.15 CC(c1ccccc1)NO A2Z00047942 [1,1,0,0,0,0|2,0,0]=4 110 B10R1.17 CCNCc1ccccc1 A2Z00093459 [1,1,0,0,0,0|1,0,0]=3 111 B10R1.17 CNCCc1ccncc1 A2Z00061328 [1,1,0,0,0,0|1,0,0]=3 112 B10R1.17 c1cc(cnc1)CCCN A2Z00046192 [1,1,0,0,0,0|1,0,0]=3 113 B10R1.17 c1ccc(cc1)CCNN A2Z00095988 [1,1,0,0,0,0|0,0,0]=2 114 B10R1.17 c1ccc(cc1)CCNN A2Z00096724 [1,1,0,0,0,0|0,0,0]=2 115 B10R1.17 c1ccc(cc1)CN=C=O A2Z00094082 [1,1,0,0,0,0|1,0,1]=4 116 B10R1.17 c1ccc(cc1)CN=[N+]=[N-] A2Z00096066 [1,1,0,0,0,0|1,0,1]=4 117 B10R1.17 c1ccc(cc1)OCC#N A2Z00093923 [1,1,0,0,0,0|0,0,2]=4 118 B10R1.17 c1ccc(cc1)OCCO A2Z00038602 [1,1,0,0,0,0|1,0,0]=3 119 B10R1.17 c1ccc(cc1)OCCS A2Z00049974 [1,1,0,0,0,0|1,0,0]=3 120 B10R1.17 c1ccnc(c1)CCC#N A2Z00094742 [1,1,0,0,0,0|1,0,1]=4 121 B10R1.18 c1ccc(cc1)CC(=O)Cl A2Z00093442 [1,1,0,0,0,0|1,0,1]=4 122 B10R1.18 c1ccc(cc1)CC(=S)N A2Z00083382 [1,1,0,0,0,0|0,0,1]=3 123 B10R1.18 c1ccc(cc1)SC(F)F A2Z00049186 [1,1,0,0,0,0|2,0,0]=4 124 B12R1.10 CC(C)(CN)c1cccc(c1)Cl A2Z00061545 [0,2,0,0,0,0|0,1,0]=3 125 B12R1.17 CNCC(c1cccc(c1)Cl)O A2Z00046552 [0,2,0,0,0,0|0,1,0]=3 126 B12R1.367 c1cc(c(cc1C(=O)CCl)F)F A2Z00094496 [0,2,0,0,0,0|1,0,1]=4 127 B12R1.435 COc1cccc(c1)C(CN)O A2Z00046546 [0,2,0,0,0,0|1,0,0]=3 128 B12R1.28 COCCOc1cccc(c1)O A2Z00048084 [0,2,0,0,0,0|2,0,0]=4 129 B12R1.28 Cc1cccc(c1)OCCC#N A2Z00097974 [0,2,0,0,0,0|1,0,1]=4 130 B12R1.28 c1cc(cc(c1)Br)OCCC#N A2Z00096149 [0,2,0,0,0,0|0,1,1]=4 131 B12R1.28 c1cc(cc(c1)Cl)CCCCN A2Z00046208 [0,2,0,0,0,0|0,1,0]=3 132 B12R1.50 Cc1cccc(c1)NC(=O)CN A2Z00044975 [0,2,0,0,0,0|1,0,1]=4 133 B12R1.50 Cc1cccc(c1)OC(=O)CN A2Z00049393 [0,2,0,0,0,0|1,0,1]=4 134 B12R1.100 Cc1cc(cc(c1)OCCN)C A2Z00038365 [0,2,0,0,0,0|1,0,0]=3 135 B12R1.226 CC(=O)CCc1cccc(c1)Cl A2Z00094749 [0,2,0,0,0,0|1,1,0]=4 136 B12R1.226 c1cc(cc(c1)Cl)CCC(=O)O A2Z00095187 [0,2,0,0,0,0|1,1,0]=4 137 B12R1.226 c1cc(cc(c1)F)CCC(=O)O A2Z00094264 [0,2,0,0,0,0|1,0,0]=3 138 B12R1.374 c1cc(=O)n(cc1Cl)CCCN A2Z00069355 [0,2,0,0,0,0|1,1,0]=4 139 B12R1.382 COc1cccc(c1)CCC#N A2Z00048895 [0,2,0,0,0,0|1,0,1]=4 140 B12R1.382 COc1cccc(c1)CCCN A2Z00046193 [0,2,0,0,0,0|1,0,0]=3 141 B12R1.382 COc1cccc(c1)OCCN A2Z00038368 [0,2,0,0,0,0|1,0,0]=3 142 B12R1.385 c1cc(c(cc1NCCN)Cl)F A2Z00049962 [0,2,0,0,0,0|0,1,0]=3 143 B12R1.1123 Cc1cc(c(cc1CCN)O)O A2Z00050368 [0,2,0,0,0,0|1,0,0]=3 144 B12R1.288 COc1ccc(cc1F)CCO A2Z00049197 [0,2,0,0,0,0|1,0,0]=3 145 B10R2.6 c1ccc(cc1)C2CN2 A2Z00049782 [1,0,0,1,0,0|0,0,0]=2 146 B12R2.202 c1cc2c(c(c1)Br)NC(=O)C2 A2Z00074262 [0,1,0,1,0,0|0,1,1]=4 147 B12R2.202 c1cc2c(c(c1)Cl)NC(=O)C2 A2Z00098390 [0,1,0,1,0,0|0,1,1]=4 148 B12R2.1081 c1cc(c2c(c1)OCCN2)N A2Z00094529 [0,1,0,1,0,0|1,0,0]=3 149 B12R2.1081 c1cc2c(c(c1)N)NCCC2 A2Z00046541 [0,1,0,1,0,0|1,0,0]=3 150 B12R2.1081 c1cc2c(c(c1)O)CCCC2 A2Z00094829 [0,1,0,1,0,0|2,0,0]=4 151 B12R2.132 c1cc2c(cc1Cl)C(CC2)O A2Z00047934 [0,1,0,1,0,0|1,1,0]=4 152 B12R2.1282 c1cc(cc(c1)Cl)C2(CC2)N A2Z00061591 [0,1,0,1,0,0|1,1,0]=4 153 B12R2.24 Cc1ccc2c(c1)OCCO2 A2Z00096649 [0,1,0,1,0,0|2,0,0]=4 154 B12R2.24 c1cc2c(cc1F)OCCO2 A2Z00057051 [0,1,0,1,0,0|1,0,0]=3 155 B12R2.24 c1cc2c(cc1N)CCCN2 A2Z00047925 [0,1,0,1,0,0|1,0,0]=3 156 B12R2.24 c1cc2c(cc1N)CNCC2 A2Z00049912 [0,1,0,1,0,0|2,0,0]=4 157 B12R2.24 c1cc2c(cc1N)CNCC2 A2Z00095970 [0,1,0,1,0,0|2,0,0]=4 158 B12R2.24 c1cc2c(cc1N)NCCC2 A2Z00047924 [0,1,0,1,0,0|2,0,0]=4 159 B12R2.203 c1cc2c(c(c1)F)c(n[nH]2)N A2Z00087151 [0,1,0,1,0,0|1,0,1]=4 160 B12R2.606 Cc1cc2cc(ccc2[nH]1)F A2Z00094211 [0,1,0,1,0,0|0,0,2]=4 161 B12R2.606 c1cc2c(cc1Br)CC(=O)N2 A2Z00094309 [0,1,0,1,0,0|0,1,1]=4 162 B12R2.606 c1cc2c(cc1F)sc(n2)N A2Z00070687 [0,1,0,1,0,0|1,0,1]=4 163 B12R2.606 c1cc2c(cc1N)CC(=O)N2 A2Z00095275 [0,1,0,1,0,0|1,0,1]=4 164 B12R2.44 COc1ccc2c(c1)CCO2 A2Z00050460 [0,1,0,1,0,0|2,0,0]=4 165 B12R2.44 c1cc2c(cc1C=O)CCC2 A2Z00094822 [0,1,0,1,0,0|2,0,0]=4 166 B8R1.8 c1c([nH]cn1)CCN A2Z00050399 [1,0,0,0,1,0|2,0,0]=4 167 B8R1.8 c1c([nH]cn1)CCN A2Z00096061 [1,0,0,0,1,0|2,0,0]=4 168 B8R1.8 c1c(nc[nH]1)CCN A2Z00050200 [1,0,0,0,1,0|2,0,0]=4 169 B8R1.8 c1c(nc[nH]1)CCN A2Z00096418 [1,0,0,0,1,0|2,0,0]=4 170 B8R1.8 c1c(ncs1)CCN A2Z00049940 [1,0,0,0,1,0|2,0,0]=4 171 B8R1.8 c1cc(sc1)CCBr A2Z00096130 [1,0,0,0,1,0|2,0,0]=4 172 B8R1.8 c1cc(sc1)CCO A2Z00095929 [1,0,0,0,1,0|2,0,0]=4 173 B8R1.8 c1cn(cn1)CCN A2Z00087582 [1,0,0,0,1,0|2,0,0]=4 174 B8R1.8 c1cnn(c1)CCN A2Z00087581 [1,0,0,0,1,0|2,0,0]=4 175 B8R1.8 c1csc(n1)CCN A2Z00061620 [1,0,0,0,1,0|2,0,0]=4