0 B10R1.30 CCc1cc(ccc1O)Br A2Z00038711 [0,0,0,0,0,0|2,0,0]=2 1 B10R1.30 CSc1cc(ccc1N)O A2Z00095086 [0,0,0,0,0,0|2,1,0]=3 2 B10R1.30 Cc1ccc(c(c1)C#N)N A2Z00062310 [0,0,0,0,0,0|3,0,0]=3 3 B10R1.30 Cc1ccc(c(c1)OC)N A2Z00096811 [0,0,0,0,0,0|1,0,0]=1 4 B10R1.30 Cc1ccc(c(c1)OC)O A2Z00096094 [0,0,0,0,0,0|0,0,0]=0 5 B10R1.30 Cc1ccc(cc1OC)F A2Z00070456 [0,0,0,0,0,0|2,0,0]=2 6 B10R1.30 c1cc(c(cc1Br)C#N)F A2Z00097405 [0,0,0,0,0,0|4,0,0]=4 7 B10R1.30 c1cc(c(cc1Br)C#N)O A2Z00038382 [0,0,0,0,0,0|3,0,0]=3 8 B10R1.30 c1cc(c(cc1Br)C=O)F A2Z00096146 [0,0,0,0,0,0|4,0,0]=4 9 B10R1.30 c1cc(c(cc1Br)C=O)O A2Z00055341 [0,0,0,0,0,0|3,0,0]=3 10 B9R1.2 CCc1cccc(c1)O A2Z00038644 [1,0,0,0,0,0|2,0,0]=3 11 B9R1.2 CNc1cccc(c1)O A2Z00057021 [1,0,0,0,0,0|2,0,0]=3 12 B9R1.2 COc1cccc(c1)O A2Z00093458 [1,0,0,0,0,0|1,0,0]=2 13 B9R1.2 COc1nccc(n1)N A2Z00085539 [1,0,0,0,0,0|3,0,0]=4 14 B9R1.2 c1cc(cc(c1)Br)ON A2Z00096321 [1,0,0,0,0,0|2,0,0]=3 15 B9R1.2 c1cc(cc(c1)Cl)C#N A2Z00095978 [1,0,0,0,0,0|3,0,0]=4 16 B9R1.2 c1cc(cc(c1)N)CN A2Z00095152 [1,0,0,0,0,0|3,0,0]=4 17 B9R1.2 c1cc(cc(c1)O)C=O A2Z00093516 [1,0,0,0,0,0|3,0,0]=4 18 B9R1.15 CCc1ccccc1O A2Z00093520 [1,0,0,0,0,0|1,0,0]=2 19 B9R1.15 COc1cccnc1N A2Z00069850 [1,0,0,0,0,0|2,0,0]=3 20 B9R1.15 c1cc(c(nc1)O)C#N A2Z00097562 [1,0,0,0,0,0|3,0,0]=4 21 B9R1.15 c1ccc(c(c1)C#N)N A2Z00038643 [1,0,0,0,0,0|3,0,0]=4 22 B9R1.15 c1ccc(c(c1)C=O)F A2Z00093476 [1,0,0,0,0,0|3,0,0]=4 23 B9R1.15 c1ccc(c(c1)C=O)O A2Z00038632 [1,0,0,0,0,0|2,0,0]=3 24 B9R1.15 c1ccc(c(c1)CN)Cl A2Z00093435 [1,0,0,0,0,0|3,0,0]=4 25 B9R1.15 c1ccc(c(c1)CO)Br A2Z00097426 [1,0,0,0,0,0|3,0,0]=4 26 B9R1.15 c1ccc(c(c1)ON)F A2Z00050391 [1,0,0,0,0,0|2,0,0]=3 27 B9R1.69 Cc1cc(=O)[nH]cc1Br A2Z00070064 [1,0,0,0,0,0|3,0,0]=4 28 B9R1.69 Cc1cc(=O)c(co1)O A2Z00087334 [1,0,0,0,0,0|1,0,1]=3 29 B9R1.69 Cc1cc(ccc1Br)N A2Z00049893 [1,0,0,0,0,0|2,0,0]=3 30 B9R1.69 Cc1cc(ccc1N)O A2Z00093480 [1,0,0,0,0,0|2,0,0]=3 31 B9R1.69 Cc1cc(cnc1Cl)Br A2Z00098091 [1,0,0,0,0,0|3,0,0]=4 32 B9R1.69 Cc1cc(cnc1N)Br A2Z00069823 [1,0,0,0,0,0|3,0,0]=4 33 B9R1.69 Cc1cc(ncc1Br)N A2Z00098112 [1,0,0,0,0,0|3,0,0]=4 34 B9R1.69 Cc1ccc(c(c1)Br)F A2Z00097509 [1,0,0,0,0,0|2,0,0]=3 35 B9R1.69 Cc1ccc(c(c1)C)O A2Z00093467 [1,0,0,0,0,0|0,0,0]=1 36 B9R1.69 Cc1ccc(c(c1)N)Br A2Z00096867 [1,0,0,0,0,0|2,0,0]=3 37 B9R1.69 Cc1ccc(c(c1)O)C A2Z00095960 [1,0,0,0,0,0|1,0,0]=2 38 B9R1.69 Cc1ccc(c(c1)O)O A2Z00096089 [1,0,0,0,0,0|0,0,0]=1 39 B9R1.69 Cc1ccc(cc1Br)N A2Z00094250 [1,0,0,0,0,0|3,0,0]=4 40 B9R1.69 Cc1ccc(cc1Cl)N A2Z00038650 [1,0,0,0,0,0|3,0,0]=4 41 B9R1.69 Cc1ccc(cc1N)Cl A2Z00093546 [1,0,0,0,0,0|3,0,0]=4 42 B9R1.69 Cc1ccc(cc1N)N A2Z00083149 [1,0,0,0,0,0|3,0,0]=4 43 B9R1.69 Cn1cc(ccc1=O)N A2Z00094139 [1,0,0,0,0,0|2,0,1]=4 44 B9R1.69 c1c(cnc(c1N)O)Br A2Z00070210 [1,0,0,0,0,0|3,0,0]=4 45 B9R1.69 c1cc(c(cc1Br)N)N A2Z00097939 [1,0,0,0,0,0|3,0,0]=4 46 B9R1.69 c1cc(c(cc1Cl)Cl)O A2Z00093465 [1,0,0,0,0,0|2,0,0]=3 47 B9R1.69 c1cc(c(cc1Cl)N)Cl A2Z00093464 [1,0,0,0,0,0|3,0,0]=4 48 B9R1.69 c1cc(c(cc1Cl)N)O A2Z00067378 [1,0,0,0,0,0|2,0,0]=3 49 B9R1.69 c1cc(c(cc1Cl)O)Cl A2Z00038619 [1,0,0,0,0,0|2,0,0]=3 50 B9R1.69 c1cc(c(cc1F)N)N A2Z00098324 [1,0,0,0,0,0|3,0,0]=4 51 B9R1.69 c1cc(c(cc1F)O)Br A2Z00096217 [1,0,0,0,0,0|2,0,0]=3 52 B9R1.69 c1cc(c(cc1F)O)Cl A2Z00096230 [1,0,0,0,0,0|2,0,0]=3 53 B9R1.69 c1cc(c(cc1I)F)N A2Z00097340 [1,0,0,0,0,0|3,0,0]=4 54 B9R1.69 c1cc(c(cc1O)O)Cl A2Z00038651 [1,0,0,0,0,0|2,0,0]=3 55 B11R1.8 CC1=CC(=O)C=C(C1=O)OC A2Z00049603 [0,1,0,0,0,0|1,0,1]=3 56 B11R1.8 c1c(cc(c(c1C=O)O)Br)Br A2Z00055342 [0,1,0,0,0,0|3,0,0]=4 57 B11R1.8 c1c(cc(c(c1C=O)O)Br)Cl A2Z00070445 [0,1,0,0,0,0|3,0,0]=4 58 B11R1.37 COc1ccc(cc1CN)Cl A2Z00038516 [0,1,0,0,0,0|3,0,0]=4 59 B11R1.167 CC(=O)c1cc(ccc1Cl)O A2Z00049751 [0,1,0,0,0,0|3,0,0]=4 60 B11R1.167 CC(=O)c1cc(ccc1O)O A2Z00067510 [0,1,0,0,0,0|2,0,0]=3 61 B11R1.167 CC(C)c1cc(ccc1O)Cl A2Z00096916 [0,1,0,0,0,0|2,0,0]=3 62 B11R1.167 Cc1ccc(c(c1)C(=O)C)O A2Z00093755 [0,1,0,0,0,0|1,0,0]=2 63 B11R1.167 Cc1ccc(c(c1)C(=O)O)Br A2Z00097370 [0,1,0,0,0,0|3,0,0]=4 64 B11R1.167 Cc1ccc(c(c1)C(=O)O)C A2Z00083135 [0,1,0,0,0,0|3,0,0]=4 65 B11R1.167 Cc1ccc(c(c1)[N+](=O)[O-])Br A2Z00096942 [0,1,0,0,0,0|3,0,0]=4 66 B11R1.167 c1cc(c(cc1Br)C(=S)N)O A2Z00038547 [0,1,0,0,0,0|3,0,0]=4 67 B11R1.167 c1cc(c(cc1Cl)C(=O)O)O A2Z00096863 [0,1,0,0,0,0|3,0,0]=4 68 B11R1.182 C=CCc1cc(ccc1O)Cl A2Z00074141 [0,1,0,0,0,0|2,0,1]=4 69 B11R1.182 c1cc(c(cc1Br)\C=N\O)O A2Z00038523 [0,1,0,0,0,0|3,0,0]=4 70 B11R1.280 COc1cc(ccc1O)C=O A2Z00078106 [0,1,0,0,0,0|0,0,1]=2 71 B11R2.36 Cc1ccc2c(c1)nc[nH]2 A2Z00095954 [0,0,0,1,0,0|2,0,1]=4 72 B11R2.36 Cc1ccc2ccoc2c1 A2Z00096336 [0,0,0,1,0,0|1,0,1]=3 73 B11R2.36 c1cc(cc2c1cco2)Br A2Z00096386 [0,0,0,1,0,0|2,0,1]=4 74 B11R2.36 c1cc2c(cc1Br)CCN2 A2Z00094288 [0,0,0,1,0,0|3,0,0]=4 75 B11R2.36 c1cc2c(cc1O)nco2 A2Z00070114 [0,0,0,1,0,0|2,0,1]=4 76 B8R1.2 CCc1ccncc1 A2Z00096081 [2,0,0,0,0,0|2,0,0]=4 77 B8R1.2 COc1cnccn1 A2Z00085431 [2,0,0,0,0,0|2,0,0]=4 78 B8R1.2 CSc1ccccc1 A2Z00096090 [2,0,0,0,0,0|0,1,0]=3 79 B8R1.2 c1ccc(cc1)CN A2Z00095042 [2,0,0,0,0,0|2,0,0]=4 80 B8R1.4 Cc1cc(ccn1)N A2Z00094484 [2,0,0,0,0,0|2,0,0]=4 81 B8R1.4 Cc1cc(cnc1)Br A2Z00096423 [2,0,0,0,0,0|2,0,0]=4 82 B8R1.4 Cc1cc(ncn1)C A2Z00094992 [2,0,0,0,0,0|2,0,0]=4 83 B8R1.4 Cc1cc(ncn1)O A2Z00094879 [2,0,0,0,0,0|2,0,0]=4 84 B8R1.4 Cc1cc[nH]c(=O)c1 A2Z00069805 [2,0,0,0,0,0|1,0,1]=4 85 B8R1.4 Cc1cccc(c1)Cl A2Z00093526 [2,0,0,0,0,0|1,0,0]=3 86 B8R1.4 Cc1ccnc(c1)N A2Z00098974 [2,0,0,0,0,0|2,0,0]=4 87 B8R1.4 Cc1ccnc(n1)O A2Z00057023 [2,0,0,0,0,0|2,0,0]=4 88 B8R1.4 c1cc(cc(c1)O)N A2Z00068658 [2,0,0,0,0,0|1,0,0]=3 89 B8R1.5 C1=CC(=O)C(=O)C=C1 A2Z00049590 [2,0,0,0,0,0|0,0,2]=4 90 B8R1.5 Cc1ccc[nH]c1=O A2Z00097918 [2,0,0,0,0,0|1,0,1]=4 91 B8R1.5 Cc1ccccc1N A2Z00093501 [2,0,0,0,0,0|1,0,0]=3 92 B8R1.5 Cc1cccnc1Cl A2Z00098033 [2,0,0,0,0,0|2,0,0]=4 93 B8R1.5 Cc1cccnc1N A2Z00070216 [2,0,0,0,0,0|2,0,0]=4 94 B8R1.5 c1cc(c(nc1)N)O A2Z00069848 [2,0,0,0,0,0|2,0,0]=4 95 B8R1.5 c1ccc(c(c1)N)F A2Z00093504 [2,0,0,0,0,0|2,0,0]=4 96 B8R1.5 c1ccc(c(c1)N)I A2Z00083429 [2,0,0,0,0,0|2,0,0]=4 97 B8R1.5 c1ccc(c(c1)O)Cl A2Z00093529 [2,0,0,0,0,0|1,0,0]=3 98 B8R1.5 c1ccc(c(c1)O)F A2Z00096082 [2,0,0,0,0,0|1,0,0]=3 99 B8R1.3 C1=CC(=O)C=CC1=O A2Z00093502 [2,0,0,0,0,0|1,0,1]=4 100 B8R1.3 Cc1ccc(cc1)N A2Z00038641 [2,0,0,0,0,0|1,0,0]=3 101 B8R1.3 Cc1ccc(cc1)O A2Z00098041 [2,0,0,0,0,0|0,0,0]=2 102 B8R1.3 Cc1ccc(cn1)N A2Z00096166 [2,0,0,0,0,0|2,0,0]=4 103 B8R1.3 Cc1ccc(nc1)Br A2Z00050520 [2,0,0,0,0,0|2,0,0]=4 104 B8R1.3 Cc1ccc(nc1)N A2Z00070217 [2,0,0,0,0,0|2,0,0]=4 105 B8R1.3 c1cc(ccc1N)Br A2Z00061804 [2,0,0,0,0,0|2,0,0]=4 106 B8R1.3 c1cc(ccc1O)F A2Z00093466 [2,0,0,0,0,0|1,0,0]=3 107 B8R1.3 c1cc(ccc1O)O A2Z00097872 [2,0,0,0,0,0|1,0,0]=3 108 B10R1.2 CCc1cccc(c1N)C A2Z00093535 [1,1,0,0,0,0|1,0,0]=3 109 B10R1.10 CNCc1cccc(c1)O A2Z00038697 [1,1,0,0,0,0|2,0,0]=4 110 B10R1.10 Cc1cccc(c1)CCN A2Z00046191 [1,1,0,0,0,0|1,0,0]=3 111 B10R1.10 c1cc(cc(c1)Cl)CCN A2Z00093997 [1,1,0,0,0,0|2,0,0]=4 112 B10R1.113 CC(=O)c1cccc(c1)Cl A2Z00095936 [1,1,0,0,0,0|2,0,0]=4 113 B10R1.113 CC(C)c1cccc(c1)O A2Z00093539 [1,1,0,0,0,0|2,0,0]=4 114 B10R1.113 CN(C)c1cccc(c1)Br A2Z00097362 [1,1,0,0,0,0|2,0,0]=4 115 B10R1.113 CN(C)c1cccc(c1)N A2Z00061693 [1,1,0,0,0,0|2,0,0]=4 116 B10R1.172 c1cc(cc(c1)C#N)CCl A2Z00085506 [1,1,0,0,0,0|2,0,0]=4 117 B10R1.172 c1cc(cc(c1)C#N)CS A2Z00070136 [1,1,0,0,0,0|2,0,0]=4 118 B10R1.176 CCc1ccc(c(c1)N)C A2Z00048060 [1,1,0,0,0,0|2,0,0]=4 119 B10R1.176 COc1ccc(c(c1)Br)O A2Z00050158 [1,1,0,0,0,0|1,0,0]=3 120 B10R1.176 COc1ccc(c(c1)N)N A2Z00097879 [1,1,0,0,0,0|1,0,0]=3 121 B10R1.176 Cc1cc(ccc1F)C#N A2Z00097967 [1,1,0,0,0,0|2,0,0]=4 122 B10R1.176 Cc1cc(ccc1O)N=O A2Z00061535 [1,1,0,0,0,0|2,0,0]=4 123 B10R1.176 Cc1ccc(cc1N)OC A2Z00070457 [1,1,0,0,0,0|1,0,0]=3 124 B10R1.4 C=CCc1ccccc1O A2Z00093534 [1,1,0,0,0,0|1,0,1]=4 125 B10R1.4 CCOc1ccccc1O A2Z00093544 [1,1,0,0,0,0|0,0,0]=2 126 B10R1.4 CCOc1cccnc1N A2Z00069857 [1,1,0,0,0,0|2,0,0]=4 127 B10R1.4 c1ccc(c(c1)CCN)F A2Z00097645 [1,1,0,0,0,0|2,0,0]=4 128 B10R1.4 c1ccc(c(c1)CCN)O A2Z00049546 [1,1,0,0,0,0|1,0,0]=3 129 B10R1.20 COc1ccccc1OC A2Z00093543 [1,1,0,0,0,0|0,0,0]=2 130 B10R1.20 CSc1ccccc1CCl A2Z00061412 [1,1,0,0,0,0|1,1,0]=4 131 B10R1.20 CSc1ccccc1CO A2Z00061413 [1,1,0,0,0,0|0,1,0]=3 132 B10R1.25 COc1ccc(cc1Cl)N A2Z00093461 [1,1,0,0,0,0|1,0,0]=3 133 B10R1.25 COc1ccc(cc1N)Cl A2Z00038607 [1,1,0,0,0,0|1,0,0]=3 134 B10R1.25 c1cc(c(cc1Br)O)C=O A2Z00096167 [1,1,0,0,0,0|2,0,0]=4 135 B10R1.25 c1cc(c(cc1F)O)C=O A2Z00062370 [1,1,0,0,0,0|2,0,0]=4 136 B10R1.25 c1cc(c(cc1O)O)C=O A2Z00038649 [1,1,0,0,0,0|2,0,0]=4 137 B10R1.61 CC(C)c1ccccc1N A2Z00038647 [1,1,0,0,0,0|2,0,0]=4 138 B10R1.61 CC(C)c1ccccc1O A2Z00093538 [1,1,0,0,0,0|1,0,0]=3 139 B10R1.61 CN(C)c1ccccc1Br A2Z00062284 [1,1,0,0,0,0|2,0,0]=4 140 B10R1.61 c1ccc(c(c1)C(=O)N)O A2Z00062157 [1,1,0,0,0,0|2,0,0]=4 141 B10R1.61 c1ccc(c(c1)C(=O)O)O A2Z00038631 [1,1,0,0,0,0|2,0,0]=4 142 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])O A2Z00034985 [1,1,0,0,0,0|2,0,0]=4 143 B10R1.245 c1cc(c(c(c1)Br)C=O)O A2Z00096372 [1,1,0,0,0,0|2,0,0]=4 144 B10R1.22 Cc1cc(c(c(c1)Br)O)N A2Z00094783 [1,1,0,0,0,0|1,0,0]=3 145 B10R1.22 Cc1cc(c(c(c1)C)O)C A2Z00077099 [1,1,0,0,0,0|0,0,0]=2 146 B10R1.22 Cc1cc(c(c(c1)O)C)C A2Z00093540 [1,1,0,0,0,0|1,0,0]=3 147 B10R1.118 Cc1c(cc(c(n1)O)Br)Br A2Z00029854 [1,1,0,0,0,0|2,0,0]=4 148 B10R1.118 Cc1cc(c(cc1C)N)N A2Z00070147 [1,1,0,0,0,0|2,0,0]=4 149 B10R1.118 c1c(c(cc(c1Cl)O)F)N A2Z00050319 [1,1,0,0,0,0|2,0,0]=4 150 B10R1.119 Cc1ccc(c(c1C)O)C A2Z00093537 [1,1,0,0,0,0|1,0,0]=3 151 B12R1.235 COc1cc(cc(c1O)C=O)Br A2Z00097141 [0,2,0,0,0,0|1,0,0]=3 152 B12R1.300 COc1cc(cc(c1O)Br)C=O A2Z00055339 [0,2,0,0,0,0|0,0,1]=3 153 B12R1.511 Cc1cc(c(c(c1)Br)O)[N+](=O)[O-] A2Z00094782 [0,2,0,0,0,0|2,0,0]=4 154 B12R1.46 CC(=O)c1cc(ccc1OC)F A2Z00094494 [0,2,0,0,0,0|2,0,0]=4 155 B12R1.46 CC(c1cc(ccc1OC)Cl)O A2Z00048861 [0,2,0,0,0,0|2,0,0]=4 156 B12R1.46 Cc1ccc(c(c1)C(=O)C)SC A2Z00096878 [0,2,0,0,0,0|1,1,0]=4 157 B12R1.57 Cc1ccc(c(c1)OC)[N+](=O)[O-] A2Z00057049 [0,2,0,0,0,0|0,0,1]=3 158 B12R1.78 CNc1ccc(c(c1)OC)OC A2Z00048083 [0,2,0,0,0,0|0,0,0]=2 159 B12R1.78 COc1ccc(c(c1)C=O)OC A2Z00038628 [0,2,0,0,0,0|2,0,0]=4 160 B12R1.78 COc1ccc(cc1OC)C#N A2Z00093452 [0,2,0,0,0,0|0,0,1]=3 161 B12R1.78 COc1ccc(cc1OC)C=O A2Z00093447 [0,2,0,0,0,0|0,0,1]=3 162 B12R1.78 COc1ccc(cc1OC)CS A2Z00050009 [0,2,0,0,0,0|0,0,0]=2 163 B12R1.128 CC(C)(C)c1cc(ccc1O)Br A2Z00038581 [0,2,0,0,0,0|2,0,0]=4 164 B12R1.128 Cc1ccc(c(c1)C(C)(C)C)O A2Z00093561 [0,2,0,0,0,0|1,0,0]=3 165 B12R1.232 Cc1cc(c(cc1Br)C(C)C)O A2Z00061499 [0,2,0,0,0,0|2,0,0]=4 166 B12R1.232 Cc1cc(c(cc1C)O)C(=O)C A2Z00071997 [0,2,0,0,0,0|1,0,0]=3 167 B12R1.354 COC(=O)c1cc(ccc1Cl)N A2Z00045055 [0,2,0,0,0,0|2,0,0]=4 168 B12R1.354 COC(=O)c1cc(ccc1O)Br A2Z00034160 [0,2,0,0,0,0|1,0,0]=3 169 B12R1.354 COC(=O)c1cc(ccc1O)N A2Z00096851 [0,2,0,0,0,0|1,0,0]=3 170 B12R1.354 C\C(=N\O)\c1cc(ccc1O)O A2Z00098336 [0,2,0,0,0,0|2,0,0]=4 171 B12R1.354 Cc1ccc(c(c1)C(=O)CCl)C A2Z00048098 [0,2,0,0,0,0|2,0,0]=4 172 B12R1.453 CC(=O)c1cc(ccc1Cl)OC A2Z00056965 [0,2,0,0,0,0|2,0,0]=4 173 B12R1.453 CCc1ccc(c(c1)C(=O)C)O A2Z00095971 [0,2,0,0,0,0|1,0,0]=3 174 B12R1.270 COc1ccc(c(c1)CC=C)O A2Z00074122 [0,2,0,0,0,0|1,0,1]=4 175 B12R1.374 c1cc(c(cc1Cl)OCC#N)Cl A2Z00038569 [0,2,0,0,0,0|2,0,0]=4 176 B12R1.1123 CCOc1cc(c(cc1C)N)C A2Z00056976 [0,2,0,0,0,0|1,0,0]=3 177 B12R1.449 COc1cc(c(cc1N)Br)OC A2Z00056963 [0,2,0,0,0,0|1,0,0]=3 178 B12R1.56 COc1cc(ccc1Br)[N+](=O)[O-] A2Z00050169 [0,2,0,0,0,0|2,0,0]=4 179 B10R1.14 COC(=O)c1ccc(o1)Br A2Z00095435 [0,0,1,1,0,0|2,0,0]=4 180 B12R2.24 Cc1ccc2c(c1)OCCO2 A2Z00096649 [0,1,0,1,0,0|0,0,0]=2 181 B12R2.24 c1cc2c(cc1F)OCCO2 A2Z00057051 [0,1,0,1,0,0|1,0,0]=3 182 B12R2.606 Cc1nc2cc(ccc2o1)O A2Z00070118 [0,1,0,1,0,0|2,0,0]=4 183 B12R2.606 Cc1nc2ccc(cc2o1)O A2Z00070115 [0,1,0,1,0,0|2,0,0]=4 184 B12R2.44 COc1ccc2c(c1)CCO2 A2Z00050460 [0,1,0,1,0,0|1,0,0]=3 185 B12R2.44 c1cc2c(cc1CN)OCO2 A2Z00093436 [0,1,0,1,0,0|0,0,0]=2 186 B12R2.44 c1cc2c(cc1CS)OCO2 A2Z00050008 [0,1,0,1,0,0|0,0,0]=2 187 B8R1.18 Cc1cc(n(n1)C)O A2Z00096295 [1,0,0,0,1,0|2,0,0]=4