0 B11R2.1 c1cc2c(n[nH]c2nc1)N A2Z00009553 [0,0,0,0,0,0|3,0,0]=3 1 B11R2.1 c1ccc2c(c1)c(n[nH]2)N A2Z00087099 [0,0,0,0,0,0|2,0,0]=2 2 B11R2.1 c1ccc2c(c1)c(n[nH]2)O A2Z00061517 [0,0,0,0,0,0|1,0,0]=1 3 B11R2.1 c1ccc2c(c1)c(no2)Br A2Z00050269 [0,0,0,0,0,0|1,0,0]=1 4 B11R2.1 c1ccc2c(c1)c(no2)O A2Z00096303 [0,0,0,0,0,0|0,0,0]=0 5 B11R2.1 c1ccn2c(c1)cnc2N A2Z00050385 [0,0,0,0,0,0|3,0,0]=3 6 B10R2.7 c1c[nH]c2c1cncc2 A2Z00096240 [1,0,0,0,0,0|3,0,0]=4 7 B10R2.7 c1cc2c(cc[nH]2)nc1 A2Z00096241 [1,0,0,0,0,0|3,0,0]=4 8 B10R2.7 c1cc2cc[nH]c2nc1 A2Z00096086 [1,0,0,0,0,0|3,0,0]=4 9 B10R2.7 c1ccc2c(c1)nsn2 A2Z00095239 [1,0,0,0,0,0|3,0,0]=4 10 B12R2.1 c1ccc2c(c1)c(c[nH]2)C#N A2Z00095431 [0,1,0,0,0,0|3,0,0]=4 11 B12R2.1 c1ccc2c(c1)c(c[nH]2)C=O A2Z00046648 [0,1,0,0,0,0|2,0,1]=4 12 B12R2.1 c1ccc2c(c1)c(c[nH]2)CN A2Z00044917 [0,1,0,0,0,0|3,0,0]=4 13 B12R2.1 c1ccn2c(c1)cnc2CN A2Z00047107 [0,1,0,0,0,0|3,0,0]=4 14 B12R2.1 c1ccn2c(c1)ncc2CO A2Z00069330 [0,1,0,0,0,0|3,0,0]=4 15 B12R2.18 Cc1c(c2ccccc2[nH]1)Br A2Z00061785 [0,1,0,0,0,0|3,0,0]=4 16 B12R2.18 Cc1c(c2ccccc2[nH]1)I A2Z00061802 [0,1,0,0,0,0|3,0,0]=4 17 B12R2.132 Cn1c2cc(ccc2cn1)N A2Z00061488 [0,1,0,0,0,0|3,0,0]=4 18 B12R2.132 c1cc2c(cc1Br)C(=O)CS2 A2Z00050233 [0,1,0,0,0,0|1,1,1]=4 19 B12R2.132 c1cc2c(cc1Br)c(n[nH]2)N A2Z00097571 [0,1,0,0,0,0|2,0,0]=3 20 B12R2.132 c1cc2c(cc1Cl)C(=O)CC2 A2Z00094227 [0,1,0,0,0,0|2,0,1]=4 21 B12R2.132 c1cc2c(cc1Cl)C(CC2)O A2Z00047934 [0,1,0,0,0,0|2,0,1]=4 22 B12R2.203 c1cc2c(c(c1)F)c(n[nH]2)N A2Z00087151 [0,1,0,0,0,0|2,0,0]=3 23 B12R2.612 Cc1ccc2c(n[nH]c2n1)N A2Z00095933 [0,1,0,0,0,0|3,0,0]=4 24 B12R2.612 c1cc2c(cc1Br)[nH]nc2N A2Z00087393 [0,1,0,0,0,0|2,0,0]=3 25 B12R2.2028 c1ccn2c(c1)c(nc2Br)Br A2Z00049665 [0,1,0,0,0,0|3,0,0]=4 26 B10R1.15 CC(c1ccccc1)NO A2Z00047942 [0,0,1,0,0,0|1,0,2]=4 27 B10R1.15 c1ccc(cc1)C(=O)C=O A2Z00094839 [0,0,1,0,0,0|1,0,2]=4 28 B10R1.17 c1ccc(cc1)CN=C=O A2Z00094082 [0,0,1,0,0,0|1,0,2]=4 29 B10R1.17 c1ccc(cc1)CN=[N+]=[N-] A2Z00096066 [0,0,1,0,0,0|3,0,0]=4 30 B10R1.17 c1ccc(cc1)OCC#N A2Z00093923 [0,0,1,0,0,0|2,0,1]=4 31 B10R1.17 c1ccc(cc1)OCCO A2Z00038602 [0,0,1,0,0,0|1,0,1]=3 32 B10R1.17 c1ccc(cc1)OCCS A2Z00049974 [0,0,1,0,0,0|1,1,1]=4 33 B10R1.17 c1ccc(cc1)\C=C\C=O A2Z00038623 [0,0,1,0,0,0|2,0,1]=4 34 B10R1.20 COc1ccccc1OC A2Z00093543 [0,0,1,0,0,0|3,0,0]=4 35 B10R1.20 CSc1ccccc1CO A2Z00061413 [0,0,1,0,0,0|1,1,1]=4 36 B10R1.61 CC(C)c1ccccc1O A2Z00093538 [0,0,1,0,0,0|2,0,1]=4 37 B10R1.61 Cc1ccccc1C(=O)N A2Z00085447 [0,0,1,0,0,0|1,0,2]=4 38 B10R1.61 c1cc(c(=O)[nH]c1)C(=O)O A2Z00085542 [0,0,1,0,0,0|2,0,1]=4 39 B10R1.61 c1cc(c(nc1)Cl)C(=O)O A2Z00050195 [0,0,1,0,0,0|3,0,0]=4 40 B10R1.61 c1ccc(c(c1)C(=N)N)F A2Z00074261 [0,0,1,0,0,0|2,0,0]=3 41 B10R1.61 c1ccc(c(c1)C(=O)N)O A2Z00062157 [0,0,1,0,0,0|0,0,2]=3 42 B10R1.61 c1ccc(c(c1)C(=O)O)Br A2Z00093939 [0,0,1,0,0,0|2,0,0]=3 43 B10R1.61 c1ccc(c(c1)C(=O)O)F A2Z00093478 [0,0,1,0,0,0|2,0,0]=3 44 B10R1.61 c1ccc(c(c1)C(=O)O)I A2Z00093586 [0,0,1,0,0,0|2,0,0]=3 45 B10R1.61 c1ccc(c(c1)C(=O)O)N A2Z00070269 [0,0,1,0,0,0|2,0,0]=3 46 B10R1.61 c1ccc(c(c1)C(=O)O)O A2Z00038631 [0,0,1,0,0,0|1,0,0]=2 47 B10R1.61 c1ccc(c(c1)C(=S)N)Cl A2Z00098305 [0,0,1,0,0,0|1,1,1]=4 48 B10R1.61 c1ccc(c(c1)C(=S)N)F A2Z00038401 [0,0,1,0,0,0|1,1,1]=4 49 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])O A2Z00034985 [0,0,1,0,0,0|2,0,1]=4 50 B12R2.24 c1cc2c(nc1)NC(=O)CO2 A2Z00068733 [0,0,0,0,0,1|2,0,1]=4 51 B12R2.24 c1cc2cc(ccc2nc1)O A2Z00094828 [0,0,0,0,0,1|3,0,0]=4 52 B12R2.24 c1ccc2c(c1)CCC(=O)N2 A2Z00074166 [0,0,0,0,0,1|2,0,1]=4 53 B12R2.24 c1ccc2c(c1)NC(=O)CO2 A2Z00083158 [0,0,0,0,0,1|1,0,1]=3 54 B12R2.24 c1ccc2c(c1)NCC(=O)N2 A2Z00039095 [0,0,0,0,0,1|2,0,1]=4 55 B12R2.1081 c1ccc2c(c1)C(=O)CCN2 A2Z00094292 [0,0,0,0,0,1|2,0,1]=4 56 B12R2.1081 c1ccc2c(c1)C(CCN2)O A2Z00049675 [0,0,0,0,0,1|2,0,1]=4 57 B12R2.1081 c1ccc2c(c1)C(CCO2)N A2Z00073612 [0,0,0,0,0,1|2,0,1]=4 58 B12R2.1081 c1ccc2c(c1)c(=O)[nH]cn2 A2Z00057219 [0,0,0,0,0,1|1,0,2]=4 59 B12R2.1081 c1ccc2c(c1)c(=O)[nH]nn2 A2Z00060373 [0,0,0,0,0,1|1,0,1]=3 60 B12R2.1081 c1ccc2c(c1)c(=O)cc[nH]2 A2Z00062308 [0,0,0,0,0,1|2,0,1]=4 61 B12R2.1081 c1ccc2c(c1)c(=O)cn[nH]2 A2Z00061512 [0,0,0,0,0,1|1,0,1]=3 62 B12R2.1081 c1ccc2c(c1)c(ccn2)Cl A2Z00097493 [0,0,0,0,0,1|3,0,0]=4 63 B12R2.1081 c1ccc2c(c1)c(ncn2)Cl A2Z00085508 [0,0,0,0,0,1|2,0,0]=3 64 B12R2.1081 c1ccc2c(c1)c(ncn2)N A2Z00087152 [0,0,0,0,0,1|2,0,0]=3 65 B12R2.1081 c1ccc2c(c1)cc[nH]c2=O A2Z00069902 [0,0,0,0,0,1|1,0,2]=4 66 B12R2.1081 c1ccc2c(c1)ccnc2N A2Z00050047 [0,0,0,0,0,1|2,0,0]=3 67 B12R2.1081 c1ccc2c(c1)cncc2Br A2Z00097572 [0,0,0,0,0,1|2,0,0]=3 68 B12R2.1081 c1cnc(c2c1cncc2)Cl A2Z00096356 [0,0,0,0,0,1|3,0,0]=4 69 B9R1.6 c1ccc(cc1)C(=N)N A2Z00096156 [1,0,1,0,0,0|1,0,0]=3 70 B9R1.8 [C]=NCc1ccccc1 A2Z00049869 [1,0,1,0,0,0|1,0,1]=4 71 B9R1.12 c1cc(oc1)\C=C\C=O A2Z00094719 [1,0,1,0,0,0|2,0,0]=4 72 B9R1.15 CCc1ccccc1O A2Z00093520 [1,0,1,0,0,0|1,0,1]=4 73 B9R1.15 c1ccc(c(c1)C=O)F A2Z00093476 [1,0,1,0,0,0|1,0,1]=4 74 B9R1.15 c1ccc(c(c1)C=O)O A2Z00038632 [1,0,1,0,0,0|0,0,1]=3 75 B9R1.15 c1ccc(c(c1)CO)Br A2Z00097426 [1,0,1,0,0,0|1,0,1]=4 76 B9R1.15 c1ccc(c(c1)ON)F A2Z00050391 [1,0,1,0,0,0|1,0,1]=4 77 B11R1.16 c1ccc(cc1)\C(=N\C#N)\N A2Z00094993 [0,1,1,0,0,0|2,0,0]=4 78 B11R1.222 Cc1ccccc1\C(=N\O)\N A2Z00096102 [0,1,1,0,0,0|1,0,0]=3 79 B11R1.1 c1cc(ccc1N)OCCO A2Z00087180 [0,1,1,0,0,0|1,0,1]=4 80 B11R1.1 c1cc(ccc1OCCO)F A2Z00048012 [0,1,1,0,0,0|1,0,1]=4 81 B11R1.28 c1ccc(cc1)OCCON A2Z00047939 [0,1,1,0,0,0|1,0,1]=4 82 B11R1.91 c1ccc(cc1)NCC(=O)O A2Z00087068 [0,1,1,0,0,0|2,0,0]=4 83 B11R1.91 c1ccc(cc1)OCC(=S)N A2Z00038412 [0,1,1,0,0,0|1,1,0]=4 84 B11R1.41 COc1ccccc1CCO A2Z00095930 [0,1,1,0,0,0|1,0,1]=4 85 B11R1.53 CC(=O)c1ccccc1OC A2Z00094520 [0,1,1,0,0,0|1,0,1]=4 86 B11R1.53 COc1ccccc1C(=O)O A2Z00093473 [0,1,1,0,0,0|1,0,0]=3 87 B11R1.53 c1ccc(c(c1)C(=O)O)NN A2Z00097754 [0,1,1,0,0,0|1,0,1]=4 88 B11R1.53 c1ccc(c(c1)C=O)C(=O)O A2Z00055347 [0,1,1,0,0,0|2,0,0]=4 89 B11R1.159 c1cc(c(c(c1)Br)Cl)C(=O)O A2Z00097567 [0,1,1,0,0,0|2,0,0]=4 90 B11R1.159 c1cc(c(c(c1)Br)F)C(=O)O A2Z00097585 [0,1,1,0,0,0|2,0,0]=4 91 B11R1.159 c1cc(c(c(c1)Br)N)C(=O)O A2Z00097432 [0,1,1,0,0,0|2,0,0]=4 92 B11R1.159 c1cc(c(c(c1)Cl)N)C(=O)O A2Z00061682 [0,1,1,0,0,0|2,0,0]=4 93 B11R1.159 c1cc(c(c(c1)F)Br)C(=O)O A2Z00096365 [0,1,1,0,0,0|2,0,0]=4 94 B11R1.159 c1cc(c(c(c1)F)N)C(=O)O A2Z00097431 [0,1,1,0,0,0|2,0,0]=4 95 B11R1.166 CC(=O)c1ccc(cc1O)F A2Z00096274 [0,1,1,0,0,0|1,0,1]=4 96 B11R1.166 c1cc(c(cc1F)F)C(=O)O A2Z00097416 [0,1,1,0,0,0|2,0,0]=4 97 B11R1.166 c1cc(c(cc1N)O)C(=O)O A2Z00097498 [0,1,1,0,0,0|1,0,0]=3 98 B11R1.166 c1cc(c(cc1N)O)C(=O)[O-] A2Z00062425 [0,1,1,0,0,0|1,0,1]=4 99 B11R1.166 c1cc(c(cc1O)O)C(=O)O A2Z00038656 [0,1,1,0,0,0|1,0,0]=3 100 B11R1.167 CC(=O)c1cc(ccc1O)O A2Z00067510 [0,1,1,0,0,0|1,0,1]=4 101 B11R1.167 Cc1ccc(c(c1)C(=O)C)O A2Z00093755 [0,1,1,0,0,0|1,0,1]=4 102 B11R1.167 Cc1ccc(c(c1)C(=O)O)Br A2Z00097370 [0,1,1,0,0,0|2,0,0]=4 103 B11R1.167 Cc1ccc(c(c1)C(=O)O)C A2Z00083135 [0,1,1,0,0,0|2,0,0]=4 104 B11R1.167 c1cc(c(cc1Br)C(=O)O)Cl A2Z00094857 [0,1,1,0,0,0|2,0,0]=4 105 B11R1.167 c1cc(c(cc1Br)C(=O)O)N A2Z00097335 [0,1,1,0,0,0|2,0,0]=4 106 B11R1.167 c1cc(c(cc1Br)C(=S)N)O A2Z00038547 [0,1,1,0,0,0|0,1,1]=4 107 B11R1.167 c1cc(c(cc1Cl)C(=O)O)O A2Z00096863 [0,1,1,0,0,0|1,0,0]=3 108 B11R2.10 Cc1cc2ccccc2s1 A2Z00094894 [1,1,0,0,0,0|1,1,0]=4 109 B11R2.36 Cc1ccc2ccoc2c1 A2Z00096336 [1,1,0,0,0,0|1,0,0]=3 110 B11R2.36 c1cc(cc2c1cc[nH]2)Cl A2Z00095941 [1,1,0,0,0,0|2,0,0]=4 111 B11R2.36 c1cc(cc2c1cco2)Br A2Z00096386 [1,1,0,0,0,0|1,0,0]=3 112 B11R2.36 c1cc2c(cc1O)nco2 A2Z00070114 [1,1,0,0,0,0|2,0,0]=4 113 B11R2.36 c1cc2c(cc[nH]2)cc1Br A2Z00097905 [1,1,0,0,0,0|2,0,0]=4 114 B11R2.36 c1cc2c(cc[nH]2)cc1N A2Z00096013 [1,1,0,0,0,0|2,0,0]=4 115 B11R2.36 c1cc2cn[nH]c2cc1N A2Z00096550 [1,1,0,0,0,0|1,0,0]=3 116 B11R2.36 c1cc2nncn2cc1N A2Z00069046 [1,1,0,0,0,0|2,0,0]=4 117 B11R2.106 c1cc2c(cco2)c(c1)Br A2Z00050270 [1,1,0,0,0,0|1,0,0]=3 118 B13R2.155 Cc1ccc2c(c1)NC(=O)CO2 A2Z00069164 [0,1,0,0,0,1|1,0,1]=4 119 B13R2.155 c1cc2c(cc1Cl)NC(=O)CO2 A2Z00078037 [0,1,0,0,0,1|1,0,1]=4 120 B13R2.155 c1cc2c(cc1N)NC(=O)CO2 A2Z00067813 [0,1,0,0,0,1|1,0,1]=4 121 B13R2.155 c1cc2c(cc1O)NC(=O)CO2 A2Z00069936 [0,1,0,0,0,1|1,0,1]=4 122 B13R2.162 c1cc(c2c(c1)OCC(=O)N2)N A2Z00048053 [0,1,0,0,0,1|1,0,1]=4 123 B13R2.328 Cc1nc2ccccc2c(n1)O A2Z00097770 [0,1,0,0,0,1|2,0,0]=4 124 B13R2.369 CC1C(=O)Nc2ccccc2O1 A2Z00066930 [0,1,0,0,0,1|1,0,1]=4 125 B13R2.3683 c1cc2c(cc1N)OCC(=O)N2 A2Z00068295 [0,1,0,0,0,1|1,0,1]=4 126 B13R2.3683 c1cc2c(cc1O)OCC(=O)N2 A2Z00069938 [0,1,0,0,0,1|1,0,1]=4 127 B13R2.5179 c1cc(c2c(c1)NC(=O)CO2)N A2Z00050048 [0,1,0,0,0,1|1,0,1]=4 128 B13R2.342 Cc1cccc2c1occc2=O A2Z00049889 [0,1,0,0,0,1|1,0,1]=4 129 B13R2.342 Cc1cncc2c1cccc2Br A2Z00062430 [0,1,0,0,0,1|2,0,0]=4 130 B13R2.342 c1cc2c(c(c1)Cl)OCCC2O A2Z00074071 [0,1,0,0,0,1|1,0,1]=4 131 B13R2.342 c1cc2c(cccc2O)c(c1)N A2Z00093556 [0,1,0,0,0,1|2,0,0]=4 132 B13R2.342 c1cc2c(cccc2O)c(c1)O A2Z00038636 [0,1,0,0,0,1|2,0,0]=4 133 B13R2.371 c1ccc2c(c1)c(nnc2N)N A2Z00074924 [0,1,0,0,0,1|2,0,0]=4 134 B13R2.1613 c1ccc2c(c1)c(ncn2)NN A2Z00057220 [0,1,0,0,0,1|2,0,0]=4 135 B13R2.4818 Cc1cncc2c1c(ccc2)Br A2Z00097578 [0,1,0,0,0,1|2,0,0]=4 136 B13R2.1 c1ccc2c(c1)c(co2)CC#N A2Z00096189 [0,2,0,0,0,0|2,0,0]=4 137 B13R2.1 c1ccc2c(c1)c(co2)CCN A2Z00095956 [0,2,0,0,0,0|2,0,0]=4 138 B13R2.72 c1ccc2c(c1)c(n[nH]2)C(=O)O A2Z00061877 [0,2,0,0,0,0|1,0,0]=3 139 B13R2.72 c1ccc2c(c1)c(sn2)C(=O)O A2Z00049616 [0,2,0,0,0,0|2,0,0]=4 140 B13R2.72 c1cncc2c1[nH]nc2C(=O)O A2Z00096318 [0,2,0,0,0,0|2,0,0]=4 141 B11R1.86 Cc1ccccc1NC(=N)N A2Z00074248 [0,0,1,0,0,1|2,0,0]=4 142 B11R1.86 c1ccc(c(c1)CC(=O)O)F A2Z00061208 [0,0,1,0,0,1|2,0,0]=4