0 B11R2.10 Cc1cc2ccccc2s1 A2Z00094894 [0,0,0,0,0,0|1,1,0]=2 1 B11R2.10 Cc1cc2ccccn2c1 A2Z00050436 [0,0,0,0,0,0|3,0,0]=3 2 B11R2.10 Cc1nc2ccccc2s1 A2Z00096101 [0,0,0,0,0,0|0,1,0]=1 3 B11R2.10 c1cc2c([nH]c(=O)o2)nc1 A2Z00069818 [0,0,0,0,0,0|2,0,1]=3 4 B11R2.10 c1ccc2c(c1)[nH]c(n2)Cl A2Z00074312 [0,0,0,0,0,0|2,0,0]=2 5 B11R2.10 c1ccc2c(c1)nc(s2)N A2Z00007218 [0,0,0,0,0,0|1,1,0]=2 6 B11R2.10 c1ccc2c(c1)nc(s2)S A2Z00098102 [0,0,0,0,0,0|1,1,0]=2 7 B11R2.10 c1ccn2c(c1)nc(n2)Br A2Z00085559 [0,0,0,0,0,0|3,0,0]=3 8 B10R2.7 c1c[nH]c2c1cncc2 A2Z00096240 [1,0,0,0,0,0|2,0,1]=4 9 B10R2.7 c1cc2c(cc[nH]2)nc1 A2Z00096241 [1,0,0,0,0,0|2,0,1]=4 10 B10R2.7 c1cc2cc[nH]c2nc1 A2Z00096086 [1,0,0,0,0,0|2,0,1]=4 11 B10R2.7 c1ccc2c(c1)nsn2 A2Z00095239 [1,0,0,0,0,0|2,0,0]=3 12 B10R2.7 c1cnc2nccn2c1 A2Z00096376 [1,0,0,0,0,0|3,0,0]=4 13 B12R2.18 CC1c2ccccc2NC1=O A2Z00049804 [0,1,0,0,0,0|2,0,1]=4 14 B12R2.18 Cc1c(c2ccccc2[nH]1)Br A2Z00061785 [0,1,0,0,0,0|1,0,1]=3 15 B12R2.18 Cc1c(c2ccccc2[nH]1)I A2Z00061802 [0,1,0,0,0,0|1,0,1]=3 16 B12R2.18 Cc1cc2ccccc2n1C A2Z00049652 [0,1,0,0,0,0|1,0,1]=3 17 B12R2.18 Cn1c2ccccc2[nH]c1=O A2Z00085448 [0,1,0,0,0,0|2,0,1]=4 18 B12R2.32 CNc1[nH]c2ccccc2n1 A2Z00056900 [0,1,0,0,0,0|1,0,0]=2 19 B12R2.32 c1cc2c(cc([nH]2)CO)nc1 A2Z00096517 [0,1,0,0,0,0|2,0,1]=4 20 B12R2.32 c1ccc2c(c1)[nH]c(n2)NN A2Z00009299 [0,1,0,0,0,0|2,0,0]=3 21 B12R2.32 c1ccc2c(c1)cc(o2)C=O A2Z00095921 [0,1,0,0,0,0|1,0,1]=3 22 B12R2.32 c1ccc2c(c1)cc(o2)CCl A2Z00096052 [0,1,0,0,0,0|1,0,0]=2 23 B12R2.32 c1ccc2c(c1)cc(o2)CN A2Z00096017 [0,1,0,0,0,0|1,0,0]=2 24 B12R2.32 c1ccc2c(c1)cc(o2)CO A2Z00096099 [0,1,0,0,0,0|1,0,0]=2 25 B12R2.32 c1ccc2c(c1)nc(o2)NN A2Z00017243 [0,1,0,0,0,0|1,0,0]=2 26 B12R2.32 c1ccn2cc(nc2c1)CCl A2Z00070467 [0,1,0,0,0,0|2,0,0]=3 27 B12R2.202 Cc1cc2c([nH]1)cccc2O A2Z00096183 [0,1,0,0,0,0|1,0,1]=3 28 B12R2.202 Cc1cc2c(cccc2[nH]1)N A2Z00096014 [0,1,0,0,0,0|1,0,1]=3 29 B12R2.202 Cc1cccc2c1nc(s2)N A2Z00059530 [0,1,0,0,0,0|1,1,0]=3 30 B12R2.202 Cc1cn2cccc(c2n1)O A2Z00098017 [0,1,0,0,0,0|2,0,0]=3 31 B12R2.202 c1cc(c2c(c1)[nH]c(=O)o2)N A2Z00046404 [0,1,0,0,0,0|1,0,1]=3 32 B12R2.202 c1cc(c2c(c1)oc(=O)[nH]2)N A2Z00070298 [0,1,0,0,0,0|1,0,1]=3 33 B12R2.202 c1cc(c2c(c1)sc(n2)Cl)F A2Z00074054 [0,1,0,0,0,0|1,1,0]=3 34 B12R2.202 c1cc2c(c(c1)Br)NC(=O)C2 A2Z00074262 [0,1,0,0,0,0|2,0,1]=4 35 B12R2.202 c1cc2c(c(c1)Cl)CC(=O)N2 A2Z00095173 [0,1,0,0,0,0|2,0,1]=4 36 B12R2.202 c1cc2c(c(c1)Cl)NC(=O)C2 A2Z00098390 [0,1,0,0,0,0|2,0,1]=4 37 B12R2.606 CN1Cc2ccc(cc2C1)N A2Z00061635 [0,1,0,0,0,0|3,0,0]=4 38 B12R2.606 Cc1cc2cc(ccc2[nH]1)F A2Z00094211 [0,1,0,0,0,0|1,0,1]=3 39 B12R2.606 Cc1ccc2c(c1)sc(n2)N A2Z00097697 [0,1,0,0,0,0|1,1,0]=3 40 B12R2.606 Cc1nc2cc(ccc2o1)O A2Z00070118 [0,1,0,0,0,0|0,0,0]=1 41 B12R2.606 Cc1nc2cc(ccc2s1)N A2Z00061221 [0,1,0,0,0,0|0,1,0]=2 42 B12R2.606 Cc1nc2cc(ccc2s1)O A2Z00097538 [0,1,0,0,0,0|0,1,0]=2 43 B12R2.606 Cc1nc2ccc(cc2o1)O A2Z00070115 [0,1,0,0,0,0|0,0,0]=1 44 B12R2.606 Cc1nc2ccc(cc2s1)N A2Z00061222 [0,1,0,0,0,0|0,1,0]=2 45 B12R2.606 Cc1nc2ccc(cn2n1)N A2Z00098146 [0,1,0,0,0,0|2,0,0]=3 46 B12R2.606 c1cc2c(cc1Br)CC(=O)N2 A2Z00094309 [0,1,0,0,0,0|2,0,1]=4 47 B12R2.606 c1cc2c(cc1Cl)sc(n2)N A2Z00070688 [0,1,0,0,0,0|1,1,0]=3 48 B12R2.606 c1cc2c(cc1F)sc(n2)N A2Z00070687 [0,1,0,0,0,0|1,1,0]=3 49 B12R2.606 c1cc2c(cc1N)CC(=O)N2 A2Z00095275 [0,1,0,0,0,0|2,0,1]=4 50 B12R2.606 c1cc2c(cc1N)[nH]c(=O)o2 A2Z00046405 [0,1,0,0,0,0|1,0,1]=3 51 B12R2.606 c1cc2c(cc1N)nc([nH]2)Cl A2Z00050311 [0,1,0,0,0,0|2,0,0]=3 52 B12R2.606 c1cc2c(cc1N)oc(=O)[nH]2 A2Z00094049 [0,1,0,0,0,0|1,0,1]=3 53 B12R2.606 c1cc2c(cc1N)sc(=S)[nH]2 A2Z00061225 [0,1,0,0,0,0|1,1,1]=4 54 B12R2.606 c1cc2c(cc1O)sc(=O)o2 A2Z00017241 [0,1,0,0,0,0|2,0,0]=3 55 B10R1.4 C=CCc1ccccc1O A2Z00093534 [0,0,1,0,0,0|1,0,1]=3 56 B10R1.4 CCOc1ccccc1O A2Z00093544 [0,0,1,0,0,0|1,0,1]=3 57 B10R1.4 CCOc1cccnc1N A2Z00069857 [0,0,1,0,0,0|1,0,2]=4 58 B10R1.4 c1ccc(c(c1)CCN)O A2Z00049546 [0,0,1,0,0,0|2,0,1]=4 59 B10R1.18 c1ccc(cc1)CC(=O)Cl A2Z00093442 [0,0,1,0,0,0|2,0,1]=4 60 B10R1.18 c1ccc(cc1)CC(=S)N A2Z00083382 [0,0,1,0,0,0|2,0,1]=4 61 B12R2.24 CC1CNc2ccccc2O1 A2Z00070209 [0,0,0,0,0,1|0,0,2]=3 62 B12R2.24 CC1Cc2ccccc2NC1 A2Z00046499 [0,0,0,0,0,1|1,0,2]=4 63 B12R2.24 c1cc2c(nc1)NC(=O)CO2 A2Z00068733 [0,0,0,0,0,1|2,0,1]=4 64 B12R2.24 c1ccc2c(c1)CCC(=O)N2 A2Z00074166 [0,0,0,0,0,1|2,0,1]=4 65 B12R2.24 c1ccc2c(c1)NC(=O)CO2 A2Z00083158 [0,0,0,0,0,1|1,0,1]=3 66 B12R2.24 c1ccc2c(c1)NCC(=O)N2 A2Z00039095 [0,0,0,0,0,1|2,0,1]=4 67 B9R1.8 CNCc1ccccc1 A2Z00093451 [1,0,1,0,0,0|2,0,0]=4 68 B9R1.15 CCc1ccccc1O A2Z00093520 [1,0,1,0,0,0|0,0,1]=3 69 B9R1.15 COc1cccnc1N A2Z00069850 [1,0,1,0,0,0|1,0,1]=4 70 B9R1.15 c1ccc(c(c1)C=O)F A2Z00093476 [1,0,1,0,0,0|2,0,0]=4 71 B9R1.15 c1ccc(c(c1)C=O)O A2Z00038632 [1,0,1,0,0,0|1,0,0]=3 72 B9R1.15 c1ccc(c(c1)ON)F A2Z00050391 [1,0,1,0,0,0|2,0,0]=4 73 B9R1.12 c1cc(oc1)\C=C\C=O A2Z00094719 [1,0,1,0,0,0|2,0,0]=4 74 B11R1.17 Cc1ccccc1OCCN A2Z00038376 [0,1,1,0,0,0|1,0,1]=4 75 B11R1.182 C=CCc1cc(ccc1O)Cl A2Z00074141 [0,1,1,0,0,0|1,0,1]=4 76 B11R1.222 COC(=O)c1ccccc1O A2Z00069275 [0,1,1,0,0,0|2,0,0]=4 77 B11R1.20 CC(=O)Cc1ccc(cc1)Br A2Z00095994 [0,1,1,0,0,0|1,0,1]=4 78 B11R1.20 c1cc(ccc1CC(=O)O)O A2Z00062185 [0,1,1,0,0,0|2,0,0]=4 79 B11R1.36 CC(=O)C(c1ccccc1)O A2Z00049601 [0,1,1,0,0,0|1,0,1]=4 80 B11R1.36 c1ccc(cc1)C(C(=O)O)Cl A2Z00094634 [0,1,1,0,0,0|2,0,0]=4 81 B11R1.40 CC(CN)Oc1ccccc1 A2Z00038576 [0,1,1,0,0,0|0,0,2]=4 82 B11R1.40 C\C(=C/c1ccccc1)\C=O A2Z00038627 [0,1,1,0,0,0|1,0,1]=4 83 B11R1.40 c1ccc(cc1)NC(=O)CN A2Z00044283 [0,1,1,0,0,0|0,0,2]=4 84 B11R1.40 c1ccc(cc1)NC(=O)CO A2Z00068359 [0,1,1,0,0,0|0,0,2]=4 85 B11R1.157 CC(=O)Cc1cccc(c1)Br A2Z00095995 [0,1,1,0,0,0|1,0,1]=4 86 B11R1.157 Cc1cccc(c1)CC(=O)C A2Z00046562 [0,1,1,0,0,0|1,0,1]=4 87 B11R2.1 c1ccc2c(c1)c(no2)Br A2Z00050269 [1,1,0,0,0,0|2,0,0]=4 88 B11R2.1 c1ccc2c(c1)c(no2)O A2Z00096303 [1,1,0,0,0,0|2,0,0]=4 89 B11R2.36 Cc1ccc2c(c1)nc[nH]2 A2Z00095954 [1,1,0,0,0,0|1,0,0]=3 90 B11R2.36 Cc1ccc2ccoc2c1 A2Z00096336 [1,1,0,0,0,0|1,0,0]=3 91 B11R2.36 c1cc(cc2c1cc[nH]2)Cl A2Z00095941 [1,1,0,0,0,0|1,0,1]=4 92 B11R2.36 c1cc(cc2c1cco2)Br A2Z00096386 [1,1,0,0,0,0|1,0,0]=3 93 B11R2.36 c1cc2c(cc1O)[nH]cn2 A2Z00070444 [1,1,0,0,0,0|1,0,0]=3 94 B11R2.36 c1cc2c(cc1O)nc[nH]2 A2Z00062450 [1,1,0,0,0,0|1,0,0]=3 95 B11R2.36 c1cc2c(cc1O)nco2 A2Z00070114 [1,1,0,0,0,0|0,0,0]=2 96 B11R2.36 c1cc2c(cc[nH]2)cc1Br A2Z00097905 [1,1,0,0,0,0|1,0,1]=4 97 B11R2.36 c1cc2c(cc[nH]2)cc1N A2Z00096013 [1,1,0,0,0,0|1,0,1]=4 98 B11R2.106 c1cc2c(cco2)c(c1)Br A2Z00050270 [1,1,0,0,0,0|1,0,0]=3 99 B13R2.57 c1ccc2c(c1)ccc(n2)C=O A2Z00097491 [0,1,0,0,0,1|1,0,1]=4 100 B13R2.57 c1ccc2c(c1)ccc(n2)NN A2Z00070574 [0,1,0,0,0,1|2,0,0]=4 101 B13R2.155 Cc1ccc2c(c1)NC(=O)CO2 A2Z00069164 [0,1,0,0,0,1|1,0,1]=4 102 B13R2.155 Cc1ccc2c(c1)OC(CN2)C A2Z00070521 [0,1,0,0,0,1|0,0,2]=4 103 B13R2.155 Cc1ccc2ccc(=O)oc2c1 A2Z00096333 [0,1,0,0,0,1|2,0,0]=4 104 B13R2.155 c1cc2c(cc1Cl)NC(=O)CO2 A2Z00078037 [0,1,0,0,0,1|1,0,1]=4 105 B13R2.155 c1cc2c(cc1N)NC(=O)CO2 A2Z00067813 [0,1,0,0,0,1|1,0,1]=4 106 B13R2.155 c1cc2c(cc1O)NC(=O)CO2 A2Z00069936 [0,1,0,0,0,1|1,0,1]=4 107 B13R2.162 c1cc(c2c(c1)OCC(=O)N2)N A2Z00048053 [0,1,0,0,0,1|1,0,1]=4 108 B13R2.222 CC1(CNc2ccccc2O1)C A2Z00070520 [0,1,0,0,0,1|0,0,2]=4 109 B13R2.328 Cc1cc(=O)c2ccccc2[nH]1 A2Z00097492 [0,1,0,0,0,1|1,0,1]=4 110 B13R2.328 Cc1cc(=O)n2ccccc2n1 A2Z00061405 [0,1,0,0,0,1|2,0,0]=4 111 B13R2.328 Cc1nc2ccccc2c(n1)O A2Z00097770 [0,1,0,0,0,1|1,0,0]=3 112 B13R2.369 CC1C(=O)Nc2ccccc2O1 A2Z00066930 [0,1,0,0,0,1|0,0,2]=4 113 B13R2.369 Cc1cc2ccccc2[nH]c1=O A2Z00094815 [0,1,0,0,0,1|1,0,1]=4 114 B13R2.369 Cc1cc2ccccc2nc1Cl A2Z00095300 [0,1,0,0,0,1|1,0,0]=3 115 B13R2.369 c1ccc2c(c1)nc(c(n2)N)N A2Z00022255 [0,1,0,0,0,1|2,0,0]=4 116 B13R2.3683 c1cc2c(cc1N)OCC(=O)N2 A2Z00068295 [0,1,0,0,0,1|1,0,1]=4 117 B13R2.3683 c1cc2c(cc1O)OCC(=O)N2 A2Z00069938 [0,1,0,0,0,1|1,0,1]=4 118 B13R2.5179 c1cc(c2c(c1)NC(=O)CO2)N A2Z00050048 [0,1,0,0,0,1|1,0,1]=4 119 B13R2.135 CCn1c2ccccc2oc1=O A2Z00048030 [0,2,0,0,0,0|1,0,1]=4 120 B13R2.135 Cc1c(c2ccccc2[nH]1)C=O A2Z00098831 [0,2,0,0,0,0|1,0,1]=4 121 B13R2.135 Cc1c(c2ccccc2s1)C=O A2Z00049753 [0,2,0,0,0,0|1,1,0]=4 122 B13R2.135 Cc1c(n2ccccc2n1)C#N A2Z00069062 [0,2,0,0,0,0|2,0,0]=4 123 B13R2.135 Cc1c(n2ccccc2n1)CN A2Z00068480 [0,2,0,0,0,0|2,0,0]=4 124 B13R2.135 Cc1c(n2ccccc2n1)CO A2Z00069317 [0,2,0,0,0,0|2,0,0]=4 125 B13R2.3028 Cn1c2cc(ccc2oc1=O)N A2Z00046406 [0,2,0,0,0,0|1,0,1]=4 126 B13R2.3085 Cc1c(c2ccccc2n1C)Br A2Z00056954 [0,2,0,0,0,0|1,0,1]=4 127 B13R2.5190 Cn1c2ccc(cc2oc1=O)N A2Z00046407 [0,2,0,0,0,0|1,0,1]=4 128 B13R2.26 CCSc1[nH]c2ccccc2n1 A2Z00054393 [0,2,0,0,0,0|1,0,0]=3 129 B13R2.26 c1ccc2c(c1)CC(O2)CCN A2Z00050317 [0,2,0,0,0,0|1,0,1]=4 130 B13R2.26 c1ccc2c(c1)[nH]c(n2)CCN A2Z00057299 [0,2,0,0,0,0|1,0,0]=3 131 B13R2.26 c1ccc2c(c1)[nH]c(n2)CCS A2Z00066697 [0,2,0,0,0,0|1,0,0]=3 132 B13R2.26 c1ccc2c(c1)cc(o2)CC#N A2Z00096188 [0,2,0,0,0,0|1,0,0]=3 133 B13R2.26 c1ccc2c(c1)cc(o2)CCN A2Z00095920 [0,2,0,0,0,0|1,0,0]=3 134 B13R2.26 c1ccc2c(c1)nc(s2)CC#N A2Z00090425 [0,2,0,0,0,0|0,1,0]=3 135 B13R2.26 c1ccn2cc(nc2c1)CCN A2Z00067504 [0,2,0,0,0,0|2,0,0]=4 136 B13R2.43 CNc1nc2ccc(cc2s1)Br A2Z00074205 [0,2,0,0,0,0|0,1,0]=3 137 B13R2.43 Cc1ccc2cc(oc2c1)C=O A2Z00050165 [0,2,0,0,0,0|1,0,1]=4 138 B13R2.43 Cc1ccn2cc(nc2c1)CBr A2Z00069885 [0,2,0,0,0,0|2,0,0]=4 139 B13R2.43 c1cc2c(cc1Cl)CC(O2)CN A2Z00074002 [0,2,0,0,0,0|1,0,1]=4 140 B13R2.43 c1cc2nc(cn2cc1Cl)CBr A2Z00069888 [0,2,0,0,0,0|2,0,0]=4 141 B13R2.43 c1cc2nc(cn2cc1F)CBr A2Z00069890 [0,2,0,0,0,0|2,0,0]=4 142 B13R2.43 c1cc2nc(cn2cc1F)CN A2Z00069893 [0,2,0,0,0,0|2,0,0]=4 143 B13R2.54 c1cc(c2nc(cn2c1)CN)O A2Z00069847 [0,2,0,0,0,0|2,0,0]=4 144 B13R2.435 CC(=O)c1cc2ccccc2o1 A2Z00097864 [0,2,0,0,0,0|1,0,0]=3 145 B13R2.435 CC(c1[nH]c2ccccc2n1)N A2Z00059915 [0,2,0,0,0,0|1,0,0]=3 146 B13R2.435 c1ccc2c(c1)nc(s2)C(=O)N A2Z00009577 [0,2,0,0,0,0|0,1,1]=4 147 B13R2.581 COc1cccc2c1nc(s2)N A2Z00059895 [0,2,0,0,0,0|1,1,0]=4 148 B13R2.3050 Cc1ccc2c(c1C)nc(s2)C A2Z00096470 [0,2,0,0,0,0|0,1,0]=3 149 B13R2.3050 Cc1ccc2c(c1Cl)nc(s2)N A2Z00085615 [0,2,0,0,0,0|1,1,0]=4 150 B13R2.5397 Cc1cc(c2c(c1)sc(n2)N)C A2Z00054889 [0,2,0,0,0,0|1,1,0]=4 151 B13R2.5397 Cc1cc(cn2c1nc(n2)C)N A2Z00070411 [0,2,0,0,0,0|2,0,0]=4 152 B13R2.5397 Cc1cc2c(c(c1)Br)oc(=O)[nH]2 A2Z00049367 [0,2,0,0,0,0|1,0,1]=4 153 B13R2.5397 Cc1cc2c(c(c1)Cl)nc(s2)N A2Z00056928 [0,2,0,0,0,0|1,1,0]=4 154 B13R2.2121 CCc1ccc2c(c1)sc(n2)N A2Z00055578 [0,2,0,0,0,0|1,1,0]=4 155 B13R2.2121 COc1ccc2c(c1)nc(s2)N A2Z00097564 [0,2,0,0,0,0|1,1,0]=4 156 B13R2.2121 COc1ccc2c(c1)sc(n2)N A2Z00079720 [0,2,0,0,0,0|1,1,0]=4 157 B13R2.2121 Cc1cc2cc(ccc2[nH]1)CN A2Z00048830 [0,2,0,0,0,0|1,0,1]=4 158 B13R2.2121 Cc1cc2cc(ccc2[nH]1)OC A2Z00095928 [0,2,0,0,0,0|1,0,1]=4 159 B13R2.2121 Cc1nc2ccc(cc2s1)OC A2Z00097537 [0,2,0,0,0,0|0,1,0]=3 160 B13R2.2121 c1cc2c(cc1CO)oc(=O)[nH]2 A2Z00057034 [0,2,0,0,0,0|1,0,1]=4 161 B13R2.13083 Cc1cc2c(cc1C)sc(n2)N A2Z00056937 [0,2,0,0,0,0|1,1,0]=4 162 B13R2.13083 Cc1cc2c(cc1Cl)nc(s2)N A2Z00056939 [0,2,0,0,0,0|1,1,0]=4 163 B13R2.13083 Cc1cc2nc(cn2cc1Br)C A2Z00069897 [0,2,0,0,0,0|2,0,0]=4 164 B9R1.6 CC(=O)c1ccncc1 A2Z00096088 [0,0,1,0,1,0|1,0,1]=4 165 B9R1.6 CC(c1ccccc1)N A2Z00093463 [0,0,1,0,1,0|0,0,2]=4 166 B9R1.6 c1ccc(cc1)C(=N)N A2Z00096156 [0,0,1,0,1,0|1,0,0]=3 167 B11R1.91 c1ccc(cc1)NCC(=O)O A2Z00087068 [0,0,1,0,0,1|1,0,1]=4 168 B11R1.91 c1ccc(cc1)OCC(=S)N A2Z00038412 [0,0,1,0,0,1|1,0,1]=4 169 B13R2.163 c1ccc2c(c1)CCCC(=O)O2 A2Z00096661 [0,0,0,0,0,2|2,0,0]=4