0 B10R1.17 CCNCc1ccccc1 A2Z00093459 [0,0,0,0,0,0|1,0,0]=1 1 B10R1.17 CNCCc1ccncc1 A2Z00061328 [0,0,0,0,0,0|3,0,0]=3 2 B10R1.17 c1cc(cnc1)CCCN A2Z00046192 [0,0,0,0,0,0|3,0,0]=3 3 B10R1.17 c1ccc(cc1)CCNN A2Z00095988 [0,0,0,0,0,0|3,0,0]=3 4 B10R1.17 c1ccc(cc1)CCNN A2Z00096724 [0,0,0,0,0,0|3,0,0]=3 5 B10R1.17 c1ccc(cc1)CN=C=O A2Z00094082 [0,0,0,0,0,0|2,0,1]=3 6 B10R1.17 c1ccc(cc1)CN=[N+]=[N-] A2Z00096066 [0,0,0,0,0,0|3,0,0]=3 7 B10R1.17 c1ccc(cc1)OCC#N A2Z00093923 [0,0,0,0,0,0|3,0,1]=4 8 B10R1.17 c1ccc(cc1)OCCO A2Z00038602 [0,0,0,0,0,0|3,0,0]=3 9 B10R1.17 c1ccc(cc1)OCCS A2Z00049974 [0,0,0,0,0,0|3,0,0]=3 10 B10R1.17 c1ccc(cc1)\C=C\C=O A2Z00038623 [0,0,0,0,0,0|2,0,2]=4 11 B10R1.17 c1ccnc(c1)CCC#N A2Z00094742 [0,0,0,0,0,0|3,0,1]=4 12 B9R1.8 CNCc1ccccc1 A2Z00093451 [1,0,0,0,0,0|1,0,0]=2 13 B9R1.8 [C]=NCc1ccccc1 A2Z00049869 [1,0,0,0,0,0|1,0,1]=3 14 B9R1.8 c1ccc(cc1)CC#N A2Z00093470 [1,0,0,0,0,0|1,0,1]=3 15 B9R1.8 c1ccc(cc1)CCBr A2Z00093579 [1,0,0,0,0,0|1,0,0]=2 16 B9R1.8 c1ccc(cc1)CCN A2Z00046190 [1,0,0,0,0,0|1,0,0]=2 17 B9R1.8 c1ccc(cc1)CNN A2Z00062153 [1,0,0,0,0,0|2,0,0]=3 18 B9R1.8 c1ccnc(c1)CC#N A2Z00097354 [1,0,0,0,0,0|2,0,1]=4 19 B11R1.1 CCCCc1ccc(cc1)N A2Z00038653 [0,1,0,0,0,0|1,0,0]=2 20 B11R1.1 Cc1ccc(cc1)CCCO A2Z00056898 [0,1,0,0,0,0|2,0,0]=3 21 B11R1.1 Cc1ccc(cc1)OCCBr A2Z00097203 [0,1,0,0,0,0|3,0,0]=4 22 B11R1.1 Cc1ccc(cc1)OCCN A2Z00038364 [0,1,0,0,0,0|3,0,0]=4 23 B11R1.1 c1cc(ccc1CCCCl)Br A2Z00048006 [0,1,0,0,0,0|2,0,0]=3 24 B11R1.1 c1cc(ccc1CCCN)O A2Z00047983 [0,1,0,0,0,0|2,0,0]=3 25 B11R1.1 c1cc(ccc1N)OCCO A2Z00087180 [0,1,0,0,0,0|3,0,0]=4 26 B11R1.1 c1cc(ccc1OCCO)F A2Z00048012 [0,1,0,0,0,0|3,0,0]=4 27 B11R1.16 CC(CCN)c1ccccc1 A2Z00046307 [0,1,0,0,0,0|2,0,0]=3 28 B11R1.16 CNCC(c1ccncc1)O A2Z00048067 [0,1,0,0,0,0|3,0,0]=4 29 B11R1.17 CCCOc1cccnc1N A2Z00069856 [0,1,0,0,0,0|3,0,0]=4 30 B11R1.17 Cc1ccccc1OCCN A2Z00038376 [0,1,0,0,0,0|3,0,0]=4 31 B11R1.24 CCCOc1cccc(c1)N A2Z00056908 [0,1,0,0,0,0|2,0,0]=3 32 B11R1.24 Cc1cccc(c1)CCC#N A2Z00048894 [0,1,0,0,0,0|2,0,1]=4 33 B11R1.24 Cc1cccc(c1)CCCN A2Z00093999 [0,1,0,0,0,0|2,0,0]=3 34 B11R1.24 Cc1cccc(c1)OCCN A2Z00038377 [0,1,0,0,0,0|3,0,0]=4 35 B11R1.24 c1cc(cc(c1)Br)OCCN A2Z00038575 [0,1,0,0,0,0|3,0,0]=4 36 B11R1.24 c1cc(cc(c1)Cl)CCC#N A2Z00048896 [0,1,0,0,0,0|2,0,1]=4 37 B11R1.24 c1cc(cc(c1)Cl)CCCN A2Z00046195 [0,1,0,0,0,0|2,0,0]=3 38 B11R1.24 c1cc(cc(c1)O)CCCN A2Z00047984 [0,1,0,0,0,0|2,0,0]=3 39 B11R1.28 CCNCCc1ccncc1 A2Z00061329 [0,1,0,0,0,0|2,0,0]=3 40 B11R1.28 c1ccc(cc1)CNCCO A2Z00065097 [0,1,0,0,0,0|1,0,0]=2 41 B11R1.28 c1ccc(cc1)OCCCN A2Z00077141 [0,1,0,0,0,0|2,0,0]=3 42 B11R1.28 c1ccc(cc1)OCCON A2Z00047939 [0,1,0,0,0,0|3,0,0]=4 43 B11R1.28 c1ccc(cc1)\C=C\CCCl A2Z00049195 [0,1,0,0,0,0|1,0,1]=3 44 B11R1.28 c1ccc(cc1)\C=C\CCN A2Z00048064 [0,1,0,0,0,0|1,0,1]=3 45 B11R1.28 c1ccnc(c1)NCCCO A2Z00070006 [0,1,0,0,0,0|3,0,0]=4 46 B11R1.28 c1cnccc1CCCCN A2Z00061546 [0,1,0,0,0,0|2,0,0]=3 47 B11R1.40 CC(CN)Oc1ccccc1 A2Z00038576 [0,1,0,0,0,0|3,0,0]=4 48 B11R1.40 CC(Cc1ccccc1)CN A2Z00046432 [0,1,0,0,0,0|2,0,0]=3 49 B11R1.40 c1ccc(cc1)CC(CO)N A2Z00045068 [0,1,0,0,0,0|2,0,0]=3 50 B11R1.40 c1ccc(cc1)NC(=O)CN A2Z00044283 [0,1,0,0,0,0|3,0,0]=4 51 B11R1.40 c1ccc(cc1)NC(=O)CO A2Z00068359 [0,1,0,0,0,0|3,0,0]=4 52 B11R1.91 CC(=O)NCc1ccccn1 A2Z00094956 [0,1,0,0,0,0|2,0,1]=4 53 B11R1.91 CC(C)NCc1ccccc1 A2Z00093460 [0,1,0,0,0,0|1,0,0]=2 54 B8R1.2 CCc1ccncc1 A2Z00096081 [2,0,0,0,0,0|1,0,0]=3 55 B8R1.2 COc1cnccn1 A2Z00085431 [2,0,0,0,0,0|2,0,0]=4 56 B8R1.2 CSc1ccccc1 A2Z00096090 [2,0,0,0,0,0|0,1,0]=3 57 B8R1.2 c1cc(cnc1)CN A2Z00093433 [2,0,0,0,0,0|2,0,0]=4 58 B8R1.2 c1ccc(cc1)CN A2Z00095042 [2,0,0,0,0,0|1,0,0]=3 59 B10R1.1 CCCc1ccc(cc1)O A2Z00038635 [1,1,0,0,0,0|0,0,0]=2 60 B10R1.1 CCOc1ccc(cc1)N A2Z00069288 [1,1,0,0,0,0|0,0,0]=2 61 B10R1.1 c1cc(ccc1CC#N)Cl A2Z00038621 [1,1,0,0,0,0|1,0,1]=4 62 B10R1.1 c1cc(ccc1CC#N)F A2Z00095964 [1,1,0,0,0,0|1,0,1]=4 63 B10R1.1 c1cc(ccc1CCN)F A2Z00093996 [1,1,0,0,0,0|1,0,0]=3 64 B10R1.1 c1cc(ccc1CCN)O A2Z00038672 [1,1,0,0,0,0|1,0,0]=3 65 B10R1.1 c1cc(ccc1CCO)Br A2Z00098377 [1,1,0,0,0,0|1,0,0]=3 66 B10R1.4 C=CCc1ccccc1O A2Z00093534 [1,1,0,0,0,0|0,0,2]=4 67 B10R1.4 CCOc1ccccc1O A2Z00093544 [1,1,0,0,0,0|0,0,0]=2 68 B10R1.4 CCOc1cccnc1N A2Z00069857 [1,1,0,0,0,0|1,0,0]=3 69 B10R1.4 c1ccc(c(c1)CCN)F A2Z00097645 [1,1,0,0,0,0|1,0,0]=3 70 B10R1.4 c1ccc(c(c1)CCN)O A2Z00049546 [1,1,0,0,0,0|1,0,0]=3 71 B10R1.10 CNCc1cccc(c1)O A2Z00038697 [1,1,0,0,0,0|1,0,0]=3 72 B10R1.10 Cc1cccc(c1)CCN A2Z00046191 [1,1,0,0,0,0|1,0,0]=3 73 B10R1.10 c1cc(cc(c1)Cl)CCN A2Z00093997 [1,1,0,0,0,0|1,0,0]=3 74 B10R1.15 CC(C#N)c1ccccc1 A2Z00070459 [1,1,0,0,0,0|1,0,1]=4 75 B10R1.15 CC(CN)c1ccccn1 A2Z00062148 [1,1,0,0,0,0|2,0,0]=4 76 B10R1.15 CC(c1ccccc1)NO A2Z00047942 [1,1,0,0,0,0|2,0,0]=4 77 B10R1.18 c1ccc(cc1)CC(=O)Cl A2Z00093442 [1,1,0,0,0,0|1,0,1]=4 78 B10R1.18 c1ccc(cc1)CC(=S)N A2Z00083382 [1,1,0,0,0,0|1,0,1]=4 79 B10R1.18 c1ccc(cc1)SC(F)F A2Z00049186 [1,1,0,0,0,0|1,1,0]=4 80 B10R1.66 CC(C)NCc1ccco1 A2Z00087006 [0,1,0,0,1,0|2,0,0]=4 81 B12R1.1 Cc1ccc(cc1)CCCCN A2Z00046201 [0,2,0,0,0,0|1,0,0]=3 82 B12R1.1 c1cc(ccc1CCCC=O)F A2Z00047941 [0,2,0,0,0,0|1,0,1]=4 83 B12R1.1 c1cc(ccc1CCCCN)Cl A2Z00046209 [0,2,0,0,0,0|1,0,0]=3 84 B12R1.1 c1cc(ccc1CCCCN)F A2Z00046203 [0,2,0,0,0,0|1,0,0]=3 85 B12R1.1 c1cc(ccc1CCCCO)Br A2Z00047940 [0,2,0,0,0,0|1,0,0]=3 86 B12R1.1 c1cc(ccc1OCCCN)F A2Z00046126 [0,2,0,0,0,0|2,0,0]=4 87 B12R1.16 CC(CCBr)c1ccc(cc1)F A2Z00049276 [0,2,0,0,0,0|2,0,0]=4 88 B12R1.16 CC(CCN)c1ccc(cc1)Cl A2Z00046308 [0,2,0,0,0,0|2,0,0]=4 89 B12R1.16 CC(CCO)c1ccc(cc1)Br A2Z00049275 [0,2,0,0,0,0|2,0,0]=4 90 B12R1.16 CC(CCO)c1ccc(cc1)F A2Z00094633 [0,2,0,0,0,0|2,0,0]=4 91 B12R1.16 CCCC(=O)c1ccc(cc1)Cl A2Z00097921 [0,2,0,0,0,0|1,0,1]=4 92 B12R1.16 CCCC(=O)c1ccc(cc1)F A2Z00094271 [0,2,0,0,0,0|1,0,1]=4 93 B12R1.16 CCCC(C)c1ccc(cc1)O A2Z00049608 [0,2,0,0,0,0|1,0,0]=3 94 B12R1.16 CCOC(=O)c1ccc(cc1)F A2Z00094784 [0,2,0,0,0,0|0,0,1]=3 95 B12R1.16 CCOC(=O)c1ccc(cc1)N A2Z00030702 [0,2,0,0,0,0|0,0,1]=3 96 B12R1.16 CNCC(c1ccc(cc1)Cl)O A2Z00046553 [0,2,0,0,0,0|2,0,0]=4 97 B12R1.16 c1cc(ccc1C(CCN)O)Br A2Z00068902 [0,2,0,0,0,0|2,0,0]=4 98 B12R1.16 c1cc(ccc1C(CCN)O)F A2Z00047847 [0,2,0,0,0,0|2,0,0]=4 99 B12R1.21 CC(=O)CCc1ccc(cc1)Br A2Z00049942 [0,2,0,0,0,0|1,0,1]=4 100 B12R1.21 CC(CCc1ccc(cc1)Br)N A2Z00049943 [0,2,0,0,0,0|1,0,0]=3 101 B12R1.21 CC(COc1ccc(cc1)Cl)N A2Z00073642 [0,2,0,0,0,0|2,0,0]=4 102 B12R1.49 COC(=O)Cc1ccc(cc1)N A2Z00094801 [0,2,0,0,0,0|2,0,0]=4 103 B12R1.69 CCCOc1ccc(cc1N)C A2Z00096812 [0,2,0,0,0,0|2,0,0]=4 104 B12R1.71 CCCOc1ccc(cc1)C=O A2Z00093915 [0,2,0,0,0,0|2,0,0]=4 105 B12R1.71 CNCCc1ccc(cc1)OC A2Z00045070 [0,2,0,0,0,0|2,0,0]=4 106 B12R1.71 COc1ccc(cc1)CCCN A2Z00046194 [0,2,0,0,0,0|2,0,0]=4 107 B12R1.3 c1ccc(cc1)C(CCO)CN A2Z00049191 [0,2,0,0,0,0|2,0,0]=4 108 B12R1.17 CNCC(c1cccc(c1)Cl)O A2Z00046552 [0,2,0,0,0,0|2,0,0]=4 109 B12R1.30 c1ccc(cc1)C(=O)CCCCl A2Z00094306 [0,2,0,0,0,0|1,0,1]=4 110 B12R1.30 c1ccc(cc1)C(=O)NCCN A2Z00047087 [0,2,0,0,0,0|1,0,1]=4 111 B12R1.34 CCC(=O)N(C)c1ccccc1 A2Z00095184 [0,2,0,0,0,0|2,0,0]=4 112 B12R1.34 CCC(C(=O)c1ccccc1)N A2Z00048079 [0,2,0,0,0,0|1,0,1]=4 113 B12R1.34 COC(=O)C(c1ccccc1)N A2Z00096034 [0,2,0,0,0,0|2,0,0]=4 114 B12R1.39 CC(C)(CNC)c1ccccc1 A2Z00049189 [0,2,0,0,0,0|2,0,0]=4 115 B12R1.107 CC(C)CC(c1ccccc1)O A2Z00048081 [0,2,0,0,0,0|1,0,0]=3 116 B12R1.308 CCCC(=O)c1ccccc1F A2Z00048886 [0,2,0,0,0,0|1,0,1]=4 117 B12R1.308 CCOC(=O)c1ccccc1C A2Z00098049 [0,2,0,0,0,0|0,0,1]=3 118 B12R1.308 CCOC(=O)c1ccccc1N A2Z00093475 [0,2,0,0,0,0|0,0,1]=3 119 B12R1.308 CCOC(=O)c1cccnc1N A2Z00061520 [0,2,0,0,0,0|1,0,1]=4 120 B12R1.308 CNCC(c1ccccc1Cl)O A2Z00046551 [0,2,0,0,0,0|2,0,0]=4 121 B12R1.121 CNCCc1ccccc1OC A2Z00045069 [0,2,0,0,0,0|2,0,0]=4 122 B12R1.267 Cc1ccccc1CCCCN A2Z00046200 [0,2,0,0,0,0|1,0,0]=3 123 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 B12R1.371 COC(=O)Cc1ccccc1F A2Z00095983 [0,2,0,0,0,0|2,0,0]=4 127 B12R1.371 Cc1ccccc1CC(=O)OC A2Z00095982 [0,2,0,0,0,0|2,0,0]=4 128 B12R1.1631 c1cc(c(c(c1)Cl)CCCN)F A2Z00046196 [0,2,0,0,0,0|2,0,0]=4 129 B12R1.28 COCCOc1cccc(c1)O A2Z00048084 [0,2,0,0,0,0|2,0,0]=4 130 B12R1.28 c1cc(cc(c1)Cl)CCCCN A2Z00046208 [0,2,0,0,0,0|1,0,0]=3 131 B12R1.226 CC(=O)CCc1cccc(c1)Cl A2Z00094749 [0,2,0,0,0,0|1,0,1]=4 132 B12R1.382 COc1cccc(c1)CCCN A2Z00046193 [0,2,0,0,0,0|2,0,0]=4 133 B12R1.8 CCCCCCc1ccccc1 A2Z00093559 [0,2,0,0,0,0|1,0,0]=3 134 B12R1.27 c1ccc(cc1)CCC(=O)CBr A2Z00094984 [0,2,0,0,0,0|1,0,1]=4 135 B12R1.27 c1ccc(cc1)CNC(=O)CCl A2Z00097817 [0,2,0,0,0,0|1,0,1]=4 136 B12R1.27 c1ccc(cc1)CNC(=O)CO A2Z00068365 [0,2,0,0,0,0|1,0,1]=4 137 B12R1.32 COCC(=O)Nc1ccccc1 A2Z00070375 [0,2,0,0,0,0|2,0,0]=4 138 B12R1.32 c1ccc(cc1)NC(=O)CCS A2Z00069989 [0,2,0,0,0,0|2,0,0]=4 139 B12R1.252 c1ccc(cc1)CNCC(=O)O A2Z00095934 [0,2,0,0,0,0|1,0,1]=4 140 B12R1.43 CC(C)C(Cc1ccccc1)O A2Z00048082 [0,2,0,0,0,0|1,0,0]=3 141 B10R2.6 c1ccc(cc1)C2CN2 A2Z00049782 [1,0,0,1,0,0|1,0,0]=3 142 B12R2.24 CC1CNc2ccccc2O1 A2Z00070209 [0,1,0,1,0,0|2,0,0]=4 143 B12R2.24 CC1Cc2ccccc2NC1 A2Z00046499 [0,1,0,1,0,0|2,0,0]=4 144 B12R2.24 c1cc2c(cc1N)CCCN2 A2Z00047925 [0,1,0,1,0,0|2,0,0]=4 145 B12R2.24 c1cc2c(cc1N)CNCC2 A2Z00049912 [0,1,0,1,0,0|1,0,0]=3 146 B12R2.24 c1cc2c(cc1N)CNCC2 A2Z00095970 [0,1,0,1,0,0|1,0,0]=3 147 B12R2.24 c1cc2c(cc1N)NCCC2 A2Z00047924 [0,1,0,1,0,0|2,0,0]=4 148 B12R2.24 c1ccc2c(c1)CCC(=O)N2 A2Z00074166 [0,1,0,1,0,0|2,0,0]=4 149 B12R2.132 c1cc2c(cc1Cl)C(CC2)O A2Z00047934 [0,1,0,1,0,0|2,0,0]=4 150 B12R2.2 c1ccc(cc1)C2CCCN2 A2Z00095924 [0,1,0,1,0,0|1,0,0]=3 151 B12R2.116 CC1(CNC1)c2ccccc2 A2Z00049697 [0,1,0,1,0,0|2,0,0]=4 152 B12R2.1081 c1cc2c(c(c1)N)NCCC2 A2Z00046541 [0,1,0,1,0,0|2,0,0]=4 153 B12R2.1081 c1cc2c(c(c1)O)CCCC2 A2Z00094829 [0,1,0,1,0,0|1,0,0]=3 154 B12R2.1081 c1ccc2c(c1)C(CCN2)O A2Z00049675 [0,1,0,1,0,0|2,0,0]=4 155 B12R2.1081 c1ccc2c(c1)C(CCO2)N A2Z00073612 [0,1,0,1,0,0|2,0,0]=4 156 B12R2.18 CC1c2ccccc2NC1=O A2Z00049804 [0,1,0,1,0,0|2,0,0]=4 157 B12R2.2403 CC1(CNc2c1cccc2)C A2Z00049178 [0,1,0,1,0,0|2,0,0]=4 158 B8R1.8 c1cc(sc1)CCBr A2Z00096130 [1,0,0,0,1,0|2,0,0]=4 159 B8R1.8 c1cc(sc1)CCO A2Z00095929 [1,0,0,0,1,0|2,0,0]=4