0 B12R2.24 CC1Cc2ccccc2NC1 A2Z00046499 [0,1,0,0,0,0|2,0,1]=4 1 B12R2.24 Cc1ccc2c(c1)nccn2 A2Z00096306 [0,1,0,0,0,0|3,0,0]=4 2 B12R2.24 c1cc2c(cc1N)CCCN2 A2Z00047925 [0,1,0,0,0,0|2,0,1]=4 3 B12R2.24 c1cc2c(cc1N)CNCC2 A2Z00049912 [0,1,0,0,0,0|0,0,2]=3 4 B12R2.24 c1cc2c(cc1N)CNCC2 A2Z00095970 [0,1,0,0,0,0|0,0,2]=3 5 B12R2.24 c1cc2c(cc1N)NCCC2 A2Z00047924 [0,1,0,0,0,0|2,0,1]=4 6 B12R2.24 c1cc2cc(ccc2nc1)Br A2Z00062458 [0,1,0,0,0,0|2,0,0]=3 7 B12R2.24 c1cc2cc(ccc2nc1)Br A2Z00074308 [0,1,0,0,0,0|2,0,0]=3 8 B12R2.24 c1cc2cc(ccc2nc1)O A2Z00094828 [0,1,0,0,0,0|2,0,0]=3 9 B12R2.24 c1ccc2c(c1)CCC(=O)N2 A2Z00074166 [0,1,0,0,0,0|2,0,0]=3 10 B12R2.24 c1ccc2c(c1)NC(=O)CO2 A2Z00083158 [0,1,0,0,0,0|3,0,0]=4 11 B12R2.24 c1ccc2c(c1)NCC(=O)N2 A2Z00039095 [0,1,0,0,0,0|3,0,0]=4 12 B12R2.1081 c1c[nH]c(=O)c2c1cncc2 A2Z00050463 [0,1,0,0,0,0|1,0,1]=3 13 B12R2.1081 c1cc2c(c(c1)N)NCCC2 A2Z00046541 [0,1,0,0,0,0|2,0,1]=4 14 B12R2.1081 c1cc2c(c(c1)O)CCCC2 A2Z00094829 [0,1,0,0,0,0|1,0,2]=4 15 B12R2.1081 c1cc2cccnc2c(c1)N A2Z00069079 [0,1,0,0,0,0|2,0,0]=3 16 B12R2.1081 c1cc2cnccc2c(c1)Br A2Z00097808 [0,1,0,0,0,0|0,0,2]=3 17 B12R2.1081 c1ccc2c(c1)C(=O)CCN2 A2Z00094292 [0,1,0,0,0,0|2,0,1]=4 18 B12R2.1081 c1ccc2c(c1)C(CCN2)O A2Z00049675 [0,1,0,0,0,0|2,0,1]=4 19 B12R2.1081 c1ccc2c(c1)C(CCO2)N A2Z00073612 [0,1,0,0,0,0|2,0,1]=4 20 B12R2.1081 c1ccc2c(c1)c(=O)[nH]cn2 A2Z00057219 [0,1,0,0,0,0|1,0,1]=3 21 B12R2.1081 c1ccc2c(c1)c(=O)[nH]nn2 A2Z00060373 [0,1,0,0,0,0|2,0,1]=4 22 B12R2.1081 c1ccc2c(c1)c(=O)cc[nH]2 A2Z00062308 [0,1,0,0,0,0|2,0,0]=3 23 B12R2.1081 c1ccc2c(c1)c(=O)cn[nH]2 A2Z00061512 [0,1,0,0,0,0|1,0,1]=3 24 B12R2.1081 c1ccc2c(c1)c(ccn2)Cl A2Z00097493 [0,1,0,0,0,0|2,0,0]=3 25 B12R2.1081 c1ccc2c(c1)c(ncn2)Cl A2Z00085508 [0,1,0,0,0,0|1,0,2]=4 26 B12R2.1081 c1ccc2c(c1)c(ncn2)N A2Z00087152 [0,1,0,0,0,0|1,0,2]=4 27 B12R2.1081 c1ccc2c(c1)cc[nH]c2=O A2Z00069902 [0,1,0,0,0,0|0,0,1]=2 28 B12R2.1081 c1ccc2c(c1)ccnc2N A2Z00050047 [0,1,0,0,0,0|0,0,2]=3 29 B12R2.1081 c1ccc2c(c1)cncc2Br A2Z00097572 [0,1,0,0,0,0|0,0,2]=3 30 B12R2.1081 c1cnc(c2c1cncc2)Cl A2Z00096356 [0,1,0,0,0,0|1,0,2]=4 31 B10R1.4 C=CCc1ccccc1O A2Z00093534 [0,0,1,0,0,0|2,0,0]=3 32 B10R1.4 c1ccc(c(c1)CCN)F A2Z00097645 [0,0,1,0,0,0|1,0,2]=4 33 B10R1.4 c1ccc(c(c1)CCN)O A2Z00049546 [0,0,1,0,0,0|1,0,2]=4 34 B10R1.17 CCNCc1ccccc1 A2Z00093459 [0,0,1,0,0,0|0,0,2]=3 35 B10R1.17 CNCCc1ccncc1 A2Z00061328 [0,0,1,0,0,0|1,0,2]=4 36 B10R1.17 c1ccc(cc1)CCNN A2Z00095988 [0,0,1,0,0,0|1,0,2]=4 37 B10R1.17 c1ccc(cc1)CCNN A2Z00096724 [0,0,1,0,0,0|1,0,2]=4 38 B10R1.17 c1ccc(cc1)CN=C=O A2Z00094082 [0,0,1,0,0,0|1,0,2]=4 39 B10R1.17 c1ccc(cc1)CN=[N+]=[N-] A2Z00096066 [0,0,1,0,0,0|2,0,1]=4 40 B10R1.17 c1ccc(cc1)\C=C\C=O A2Z00038623 [0,0,1,0,0,0|2,0,0]=3 41 B10R1.20 CSc1ccccc1CCl A2Z00061412 [0,0,1,0,0,0|2,0,1]=4 42 B10R1.20 CSc1ccccc1CO A2Z00061413 [0,0,1,0,0,0|2,0,1]=4 43 B10R1.20 c1ccc(c(c1)CCl)C#N A2Z00085505 [0,0,1,0,0,0|2,0,1]=4 44 B10R2.7 c1c[nH]c2c1CNCC2 A2Z00096430 [0,0,0,0,1,0|1,0,2]=4 45 B10R2.7 c1c[nH]c2c1cncc2 A2Z00096240 [0,0,0,0,1,0|1,0,0]=2 46 B10R2.7 c1cc2c(cc[nH]2)nc1 A2Z00096241 [0,0,0,0,1,0|1,0,0]=2 47 B10R2.7 c1cc2cc[nH]c2nc1 A2Z00096086 [0,0,0,0,1,0|1,0,0]=2 48 B10R2.7 c1ccc2c(c1)nsn2 A2Z00095239 [0,0,0,0,1,0|2,0,1]=4 49 B10R2.7 c1cnc2nccn2c1 A2Z00096376 [0,0,0,0,1,0|2,0,1]=4 50 B12R2.41 c1ccc2c(c1)OCCCO2 A2Z00083425 [0,0,0,0,0,1|2,0,1]=4 51 B9R1.8 CNCc1ccccc1 A2Z00093451 [1,0,1,0,0,0|0,0,1]=3 52 B9R1.8 [C]=NCc1ccccc1 A2Z00049869 [1,0,1,0,0,0|0,0,2]=4 53 B9R1.8 c1ccc(cc1)CC#N A2Z00093470 [1,0,1,0,0,0|1,0,1]=4 54 B9R1.8 c1ccc(cc1)CCBr A2Z00093579 [1,0,1,0,0,0|1,0,1]=4 55 B9R1.8 c1ccc(cc1)CCN A2Z00046190 [1,0,1,0,0,0|0,0,2]=4 56 B9R1.8 c1ccc(cc1)CNN A2Z00062153 [1,0,1,0,0,0|1,0,0]=3 57 B9R1.15 CCc1ccccc1O A2Z00093520 [1,0,1,0,0,0|1,0,1]=4 58 B9R1.15 c1cc(c(nc1)CN)F A2Z00050387 [1,0,1,0,0,0|2,0,0]=4 59 B9R1.15 c1ccc(c(c1)C#N)N A2Z00038643 [1,0,1,0,0,0|1,0,1]=4 60 B9R1.15 c1ccc(c(c1)C=O)F A2Z00093476 [1,0,1,0,0,0|2,0,0]=4 61 B9R1.15 c1ccc(c(c1)C=O)O A2Z00038632 [1,0,1,0,0,0|2,0,0]=4 62 B9R1.15 c1ccc(c(c1)CN)Cl A2Z00093435 [1,0,1,0,0,0|1,0,0]=3 63 B9R1.15 c1ccc(c(c1)CO)Br A2Z00097426 [1,0,1,0,0,0|2,0,0]=4 64 B9R1.15 c1ccc(c(c1)ON)F A2Z00050391 [1,0,1,0,0,0|2,0,0]=4 65 B11R1.17 Cc1ccccc1OCCN A2Z00038376 [0,1,1,0,0,0|0,0,2]=4 66 B11R1.86 Cc1ccccc1NC(=N)N A2Z00074248 [0,1,1,0,0,0|1,0,0]=3 67 B11R1.182 C=CCc1cc(ccc1O)Cl A2Z00074141 [0,1,1,0,0,0|2,0,0]=4 68 B11R1.222 Cc1ccccc1C(=O)OC A2Z00095993 [0,1,1,0,0,0|2,0,0]=4 69 B11R1.222 Cc1ccccc1\C(=N\O)\N A2Z00096102 [0,1,1,0,0,0|2,0,0]=4 70 B11R1.222 c1ccc(c(c1)C(=O)NN)Br A2Z00014686 [0,1,1,0,0,0|2,0,0]=4 71 B11R1.222 c1ccc(c(c1)C(=O)NN)F A2Z00014684 [0,1,1,0,0,0|2,0,0]=4 72 B11R1.222 c1ccc(c(c1)C(=O)NN)N A2Z00097814 [0,1,1,0,0,0|2,0,0]=4 73 B11R1.28 c1ccc(cc1)CNCCO A2Z00065097 [0,1,1,0,0,0|0,0,2]=4 74 B11R1.28 c1ccc(cc1)\C=C\CCCl A2Z00049195 [0,1,1,0,0,0|1,0,0]=3 75 B11R1.28 c1ccc(cc1)\C=C\CCN A2Z00048064 [0,1,1,0,0,0|1,0,0]=3 76 B11R1.40 C\C(=C/c1ccccc1)\C=O A2Z00038627 [0,1,1,0,0,0|2,0,0]=4 77 B11R1.91 CC(=O)NCc1ccccn1 A2Z00094956 [0,1,1,0,0,0|1,0,1]=4 78 B11R1.91 CC(C)NCc1ccccc1 A2Z00093460 [0,1,1,0,0,0|0,0,2]=4 79 B11R1.37 COc1ccc(cc1CN)Cl A2Z00038516 [0,1,1,0,0,0|1,0,1]=4 80 B11R1.53 CC(C)c1ccccc1CN A2Z00049471 [0,1,1,0,0,0|0,0,2]=4 81 B11R1.53 c1ccc(c(c1)C(=O)O)NN A2Z00097754 [0,1,1,0,0,0|2,0,0]=4 82 B11R2.1 Cn1ccc2c1cccn2 A2Z00096708 [0,1,0,0,1,0|1,0,0]=3 83 B11R2.1 c1cc2c(n[nH]c2nc1)N A2Z00009553 [0,1,0,0,1,0|2,0,0]=4 84 B11R2.1 c1ccc2c(c1)c(n[nH]2)N A2Z00087099 [0,1,0,0,1,0|1,0,0]=3 85 B11R2.1 c1ccc2c(c1)c(n[nH]2)O A2Z00061517 [0,1,0,0,1,0|1,0,0]=3 86 B11R2.1 c1ccc2c(c1)c(no2)Br A2Z00050269 [0,1,0,0,1,0|1,0,1]=4 87 B11R2.1 c1ccc2c(c1)c(no2)O A2Z00096303 [0,1,0,0,1,0|1,0,1]=4 88 B11R2.10 Cc1cc2ccccc2s1 A2Z00094894 [0,1,0,0,1,0|1,0,0]=3 89 B11R2.10 Cc1cc2ccccn2c1 A2Z00050436 [0,1,0,0,1,0|1,0,1]=4 90 B11R2.10 Cc1nc2ccccc2s1 A2Z00096101 [0,1,0,0,1,0|1,0,1]=4 91 B11R2.10 c1cc2c([nH]c(=O)o2)nc1 A2Z00069818 [0,1,0,0,1,0|2,0,0]=4 92 B11R2.10 c1ccc2c(c1)[nH]c(n2)Cl A2Z00074312 [0,1,0,0,1,0|1,0,0]=3 93 B11R2.10 c1ccc2c(c1)nc(s2)N A2Z00007218 [0,1,0,0,1,0|1,0,1]=4 94 B11R2.10 c1ccc2c(c1)nc(s2)S A2Z00098102 [0,1,0,0,1,0|1,0,1]=4 95 B11R2.36 Cc1ccc2c(c1)nc[nH]2 A2Z00095954 [0,1,0,0,1,0|1,0,0]=3 96 B11R2.36 Cc1ccc2ccoc2c1 A2Z00096336 [0,1,0,0,1,0|1,0,0]=3 97 B11R2.36 c1cc(cc2c1cc[nH]2)Cl A2Z00095941 [0,1,0,0,1,0|0,0,0]=2 98 B11R2.36 c1cc(cc2c1cco2)Br A2Z00096386 [0,1,0,0,1,0|1,0,0]=3 99 B11R2.36 c1cc2c(cc1Br)CCN2 A2Z00094288 [0,1,0,0,1,0|0,0,2]=4 100 B11R2.36 c1cc2c(cc1O)[nH]cn2 A2Z00070444 [0,1,0,0,1,0|1,0,0]=3 101 B11R2.36 c1cc2c(cc1O)nc[nH]2 A2Z00062450 [0,1,0,0,1,0|1,0,0]=3 102 B11R2.36 c1cc2c(cc1O)nco2 A2Z00070114 [0,1,0,0,1,0|1,0,1]=4 103 B11R2.36 c1cc2c(cc[nH]2)cc1Br A2Z00097905 [0,1,0,0,1,0|0,0,0]=2 104 B11R2.36 c1cc2c(cc[nH]2)cc1N A2Z00096013 [0,1,0,0,1,0|0,0,0]=2 105 B11R2.36 c1cc2cn[nH]c2cc1N A2Z00096550 [0,1,0,0,1,0|1,0,0]=3 106 B11R2.106 C[n+]1cccc2c1cc[nH]2 A2Z00096715 [0,1,0,0,1,0|1,0,0]=3 107 B11R2.106 c1cc2c(cco2)c(c1)Br A2Z00050270 [0,1,0,0,1,0|1,0,0]=3 108 B13R2.163 c1ccc2c(c1)CCCC(=O)O2 A2Z00096661 [0,1,0,0,0,1|1,0,1]=4 109 B13R2.3729 c1cc2c(cc1Cl)CNCCC2 A2Z00049478 [0,1,0,0,0,1|0,0,2]=4 110 B13R2.3729 c1cc2c(cc1F)CNCCC2 A2Z00049473 [0,1,0,0,0,1|0,0,2]=4 111 B13R2.32 CN1c2ccccc2CCC1=O A2Z00049373 [0,2,0,0,0,0|2,0,0]=4 112 B13R2.32 c1ccc2c(c1)ccc(c2Br)N A2Z00049633 [0,2,0,0,0,0|1,0,1]=4 113 B13R2.57 c1cc2cc(ccc2nc1)C=O A2Z00097499 [0,2,0,0,0,0|2,0,0]=4 114 B13R2.57 c1ccc2c(c1)ccc(n2)C=O A2Z00097491 [0,2,0,0,0,0|2,0,0]=4 115 B13R2.57 c1ccc2c(c1)ccc(n2)NN A2Z00070574 [0,2,0,0,0,0|2,0,0]=4 116 B13R2.155 Cc1ccc2ccc(=O)oc2c1 A2Z00096333 [0,2,0,0,0,0|2,0,0]=4 117 B13R2.162 Cc1ccc2c(c1)c(=O)[nH]cn2 A2Z00060919 [0,2,0,0,0,0|1,0,1]=4 118 B13R2.162 c1cc2c(cc1Cl)C(=O)CCC2 A2Z00094219 [0,2,0,0,0,0|1,0,1]=4 119 B13R2.162 c1cc2c(cc1Cl)c(ccn2)O A2Z00061677 [0,2,0,0,0,0|2,0,0]=4 120 B13R2.162 c1cc2c(cc1F)C(=O)CCC2 A2Z00094218 [0,2,0,0,0,0|1,0,1]=4 121 B13R2.162 c1cc2c(cc1F)c(=O)[nH]cn2 A2Z00062307 [0,2,0,0,0,0|1,0,1]=4 122 B13R2.162 c1cc2ccc(=O)[nH]c2c(c1)N A2Z00049748 [0,2,0,0,0,0|2,0,0]=4 123 B13R2.328 Cc1cc(=O)c2ccccc2[nH]1 A2Z00097492 [0,2,0,0,0,0|2,0,0]=4 124 B13R2.328 c1ccc2c(c1)c(=O)[nH]c(=O)[nH]2 A2Z00061300 [0,2,0,0,0,0|1,0,1]=4 125 B13R2.328 c1ccc2c(c1)c(=O)[nH]c(=S)[nH]2 A2Z00056915 [0,2,0,0,0,0|1,0,1]=4 126 B13R2.328 c1ccc2c(c1)c(cc(=O)[nH]2)O A2Z00061526 [0,2,0,0,0,0|2,0,0]=4 127 B13R2.369 Cc1cc2ccccc2[nH]c1=O A2Z00094815 [0,2,0,0,0,0|2,0,0]=4 128 B13R2.369 Cc1cc2ccccc2nc1Cl A2Z00095300 [0,2,0,0,0,0|2,0,0]=4 129 B13R2.369 c1ccc2c(c1)CC(C(=O)N2)N A2Z00094761 [0,2,0,0,0,0|2,0,0]=4 130 B13R2.3683 c1cc2c(cc1Br)CCC(=O)N2 A2Z00097940 [0,2,0,0,0,0|2,0,0]=4 131 B13R2.5179 c1cc2c(cc1Cl)cncc2O A2Z00062343 [0,2,0,0,0,0|0,0,2]=4 132 B13R2.5179 c1cc2c(ccnc2Cl)cc1F A2Z00069928 [0,2,0,0,0,0|0,0,2]=4 133 B13R2.342 Cc1cccc2c1occc2=O A2Z00049889 [0,2,0,0,0,0|2,0,0]=4 134 B13R2.342 Cc1cncc2c1cccc2Br A2Z00062430 [0,2,0,0,0,0|0,0,2]=4 135 B13R2.342 c1cc2c(c(c1)Br)nc[nH]c2=O A2Z00097653 [0,2,0,0,0,0|1,0,1]=4 136 B13R2.342 c1cc2c(c(c1)F)nc[nH]c2=O A2Z00062400 [0,2,0,0,0,0|1,0,1]=4 137 B13R2.342 c1cc2c(cc[nH]c2=O)c(c1)N A2Z00062431 [0,2,0,0,0,0|0,0,1]=3 138 B13R2.342 c1cc2c(cccc2O)c(c1)N A2Z00093556 [0,2,0,0,0,0|1,0,1]=4 139 B13R2.342 c1cc2c(cccc2O)c(c1)O A2Z00038636 [0,2,0,0,0,0|1,0,1]=4 140 B13R2.371 Cc1ccc(c2c1cccc2)N A2Z00056967 [0,2,0,0,0,0|1,0,1]=4 141 B13R2.371 c1cc(c2cnccc2c1Br)Br A2Z00097809 [0,2,0,0,0,0|0,0,2]=4 142 B13R2.1613 COc1cccc2c1CNCC2 A2Z00062415 [0,2,0,0,0,0|0,0,2]=4 143 B13R2.1613 c1ccc2c(c1)cccc2C#N A2Z00085452 [0,2,0,0,0,0|1,0,1]=4 144 B13R2.4818 Cc1cncc2c1c(ccc2)Br A2Z00097578 [0,2,0,0,0,0|0,0,2]=4 145 B13R2.4818 c1cc2cc[nH]c(=O)c2c(c1)O A2Z00062335 [0,2,0,0,0,0|0,0,1]=3 146 B9R1.12 c1cc([nH]c1)\C=C\C=O A2Z00094927 [0,0,1,0,1,0|1,0,0]=3 147 B9R1.12 c1cc(oc1)\C=C\C=O A2Z00094719 [0,0,1,0,1,0|2,0,0]=4