0 B12R1.4 CC(=O)Nc1ccc(cc1)C#N A2Z00050196 [0,0,0,0,0,0|3,0,0]=3 1 B12R1.4 CC(C)Cc1ccc(cc1)C#N A2Z00049184 [0,0,0,0,0,0|3,0,1]=4 2 B12R1.4 CNc1ccc(cc1)CC(=O)O A2Z00049371 [0,0,0,0,0,0|2,0,0]=2 3 B12R1.4 COc1ccc(cc1)CC(=O)Cl A2Z00094314 [0,0,0,0,0,0|1,0,0]=1 4 B12R1.4 COc1ccc(cc1)CC(=O)O A2Z00093941 [0,0,0,0,0,0|1,0,0]=1 5 B12R1.4 COc1ccc(cc1)CC(=S)N A2Z00097997 [0,0,0,0,0,0|1,1,0]=2 6 B11R1.20 CC(=O)Cc1ccc(cc1)Br A2Z00095994 [1,0,0,0,0,0|1,0,0]=2 7 B11R1.20 Cc1ccc(cc1)NC(=S)N A2Z00075032 [1,0,0,0,0,0|2,1,0]=4 8 B11R1.20 c1cc(ccc1CC(=O)O)O A2Z00062185 [1,0,0,0,0,0|1,0,0]=2 9 B11R1.83 COc1ccc(cc1)CC#N A2Z00038624 [1,0,0,0,0,0|1,0,1]=3 10 B11R1.83 COc1ccc(cc1)CCN A2Z00038582 [1,0,0,0,0,0|1,0,1]=3 11 B13R1.5 CCc1ccc(cc1)NC(=O)CCl A2Z00075760 [0,1,0,0,0,0|2,0,0]=3 12 B13R1.5 CCc1ccc(cc1)NC(=O)CS A2Z00064161 [0,1,0,0,0,0|2,0,0]=3 13 B13R1.36 CC(C(=O)c1ccc(cc1)OC)Br A2Z00070057 [0,1,0,0,0,0|1,0,2]=4 14 B13R1.36 CC(C)C(c1ccc(cc1)OC)N A2Z00087586 [0,1,0,0,0,0|1,0,1]=3 15 B13R1.142 CCOc1ccc(cc1)NC(=S)N A2Z00097922 [0,1,0,0,0,0|2,1,0]=4 16 B13R1.585 CC(=O)Nc1ccc(cc1)C(=N)N A2Z00050376 [0,1,0,0,0,0|3,0,0]=4 17 B13R1.585 c1cc(ccc1CC(=O)O)[N+](=O)[O-] A2Z00094760 [0,1,0,0,0,0|3,0,0]=4 18 B13R2.2121 COc1ccc2c(c1)nc(s2)N A2Z00097564 [0,0,0,1,0,0|3,0,0]=4 19 B13R2.2121 COc1ccc2c(c1)sc(n2)N A2Z00079720 [0,0,0,1,0,0|2,1,0]=4 20 B13R2.2121 Cc1cc2cc(ccc2[nH]1)OC A2Z00095928 [0,0,0,1,0,0|2,0,0]=3 21 B13R2.2121 Cc1nc2ccc(cc2s1)OC A2Z00097537 [0,0,0,1,0,0|1,1,0]=3 22 B11R1.3 CC(C)c1ccc(cc1)OC A2Z00094996 [0,0,0,0,1,0|1,0,1]=3 23 B11R1.3 CC(c1ccc(cc1)OC)Cl A2Z00048085 [0,0,0,0,1,0|1,0,1]=3 24 B11R1.3 CC(c1ccc(cc1)OC)N A2Z00038484 [0,0,0,0,1,0|1,0,1]=3 25 B11R1.3 CC(c1ccc(cc1)OC)O A2Z00094294 [0,0,0,0,1,0|0,0,2]=3 26 B11R1.3 CCc1ccc(cc1)C(=N)N A2Z00038652 [0,0,0,0,1,0|3,0,0]=4 27 B11R1.3 CCc1ccc(cc1)C(=O)O A2Z00083092 [0,0,0,0,1,0|2,0,0]=3 28 B11R1.3 CCc1ccc(cc1)C(=S)N A2Z00038707 [0,0,0,0,1,0|2,1,0]=4 29 B11R1.3 CCc1ccc(cc1)C(C)N A2Z00038383 [0,0,0,0,1,0|2,0,1]=4 30 B11R1.3 COc1ccc(cc1)C(=O)O A2Z00038625 [0,0,0,0,1,0|1,0,0]=2 31 B11R1.3 COc1ccc(cc1)C(=S)N A2Z00038402 [0,0,0,0,1,0|1,1,0]=3 32 B11R1.3 COc1ccc(cn1)[N+](=O)[O-] A2Z00096485 [0,0,0,0,1,0|3,0,0]=4 33 B11R1.3 c1cc(ccc1C#N)C(=O)O A2Z00097496 [0,0,0,0,1,0|3,0,0]=4 34 B11R1.3 c1cc(ccc1C=O)C(=O)O A2Z00097123 [0,0,0,0,1,0|3,0,0]=4 35 B11R1.3 c1cc(ccc1CN)C(=O)N A2Z00074039 [0,0,0,0,1,0|3,0,0]=4 36 B11R1.3 c1cc(ccc1CN)C(=O)O A2Z00038655 [0,0,0,0,1,0|3,0,0]=4 37 B13R1.3 CC(=O)CSc1ccc(cc1)OC A2Z00096137 [0,0,0,0,0,1|0,0,0]=1 38 B13R1.3 CCc1ccc(cc1)OCC(=O)O A2Z00062497 [0,0,0,0,0,1|2,0,0]=3 39 B13R1.3 COc1ccc(cc1)CNC(=O)N A2Z00085519 [0,0,0,0,0,1|1,0,0]=2 40 B13R1.3 COc1ccc(cc1)\C=C\C(=O)O A2Z00033662 [0,0,0,0,0,1|1,0,1]=3 41 B10R1.1 CCCc1ccc(cc1)O A2Z00038635 [2,0,0,0,0,0|0,0,1]=3 42 B10R1.1 c1cc(ccc1CCN)O A2Z00038672 [2,0,0,0,0,0|1,0,1]=4 43 B10R1.18 c1ccc(cc1)CC(=O)Cl A2Z00093442 [2,0,0,0,0,0|1,0,0]=3 44 B10R1.18 c1ccc(cc1)CC(=S)N A2Z00083382 [2,0,0,0,0,0|1,1,0]=4 45 B10R1.3 COc1ccc(cc1)CN A2Z00093434 [2,0,0,0,0,0|1,0,0]=3 46 B10R1.3 COc1ccc(cc1)CO A2Z00062142 [2,0,0,0,0,0|0,0,1]=3 47 B10R1.3 c1cc(ccc1C=O)C#N A2Z00094838 [2,0,0,0,0,0|2,0,0]=4 48 B12R1.19 Cc1ccc(cc1Br)CC(=O)O A2Z00049493 [1,1,0,0,0,0|1,0,0]=3 49 B12R1.20 CC(=O)C(=O)c1ccc(cc1)Br A2Z00049455 [1,1,0,0,0,0|1,0,1]=4 50 B12R1.20 CC(=O)C(=O)c1ccc(cc1)F A2Z00049436 [1,1,0,0,0,0|1,0,1]=4 51 B12R1.20 CC(=O)N(C)c1ccc(cc1)O A2Z00068350 [1,1,0,0,0,0|1,0,0]=3 52 B12R1.20 CC(c1ccc(cc1)Br)C(=O)O A2Z00047901 [1,1,0,0,0,0|2,0,0]=4 53 B12R1.20 Cc1ccc(cc1)C(C)C(=O)O A2Z00094214 [1,1,0,0,0,0|1,0,0]=3 54 B12R1.20 c1cc(ccc1C(C(=O)O)Cl)Cl A2Z00049239 [1,1,0,0,0,0|2,0,0]=4 55 B12R1.49 COC(=O)Cc1ccc(cc1)N A2Z00094801 [1,1,0,0,0,0|1,0,0]=3 56 B12R1.49 Cc1ccc(cc1)NC(=O)CCl A2Z00075121 [1,1,0,0,0,0|1,0,0]=3 57 B12R1.49 Cc1ccc(cc1)NC(=O)CO A2Z00068361 [1,1,0,0,0,0|1,0,0]=3 58 B12R1.49 Cc1ccc(cc1)NC(=O)CS A2Z00029474 [1,1,0,0,0,0|1,0,0]=3 59 B12R1.49 Cc1ccc(cc1)OC(=O)CN A2Z00049394 [1,1,0,0,0,0|1,0,0]=3 60 B12R1.49 c1cc(ccc1NC(=O)CO)F A2Z00068363 [1,1,0,0,0,0|2,0,0]=4 61 B12R1.49 c1cc(ccc1NC(=O)CS)F A2Z00064160 [1,1,0,0,0,0|2,0,0]=4 62 B12R1.106 Cc1ccc(cc1)CC(C)(C)N A2Z00046253 [1,1,0,0,0,0|1,0,1]=4 63 B12R1.106 Cc1ccc(cc1)CS(=O)(=O)Cl A2Z00095209 [1,1,0,0,0,0|2,0,0]=4 64 B12R1.5 CCC(=O)c1ccc(cc1)OC A2Z00094035 [1,1,0,0,0,0|0,0,2]=4 65 B12R1.5 COc1ccc(cc1)C(C#N)N A2Z00047032 [1,1,0,0,0,0|1,0,1]=4 66 B12R1.5 COc1ccc(cc1)C(CN)O A2Z00095910 [1,1,0,0,0,0|1,0,1]=4 67 B12R1.71 CNCCc1ccc(cc1)OC A2Z00045070 [1,1,0,0,0,0|0,0,1]=3 68 B12R1.71 COc1ccc(cc1)CCCN A2Z00046194 [1,1,0,0,0,0|0,0,1]=3 69 B12R1.71 COc1ccc(cc1)CN=[N+]=[N-] A2Z00096609 [1,1,0,0,0,0|2,0,0]=4 70 B12R1.71 COc1ccc(cc1)OCC#N A2Z00038566 [1,1,0,0,0,0|1,0,1]=4 71 B12R1.71 COc1ccc(cc1)OCCBr A2Z00098310 [1,1,0,0,0,0|1,0,1]=4 72 B12R1.71 COc1ccc(cc1)OCCN A2Z00038367 [1,1,0,0,0,0|1,0,1]=4 73 B12R1.288 COc1ccc(cc1F)CCO A2Z00049197 [1,1,0,0,0,0|0,0,2]=4 74 B12R1.6 CC(C)(c1ccc(cc1)OC)N A2Z00061577 [0,1,0,0,1,0|1,0,1]=4 75 B12R1.6 COc1ccc(cc1)S(=O)(=O)Cl A2Z00094078 [0,1,0,0,1,0|2,0,0]=4 76 B12R1.48 CC(=O)c1ccc(c(c1)Br)OC A2Z00048841 [0,1,0,0,1,0|0,0,0]=2 77 B12R1.48 CC(=O)c1ccc(c(c1)Br)SC A2Z00096050 [0,1,0,0,1,0|0,1,0]=3 78 B12R1.48 CC(C)c1ccc(c(c1)Br)OC A2Z00049810 [0,1,0,0,1,0|1,0,1]=4 79 B12R1.48 COc1ccc(cc1Br)C(=O)O A2Z00095298 [0,1,0,0,1,0|1,0,0]=3 80 B12R1.48 COc1ccc(cc1Br)C(=S)N A2Z00038496 [0,1,0,0,1,0|1,1,0]=4 81 B12R1.48 COc1ccc(cc1Br)S(=O)O A2Z00049796 [0,1,0,0,1,0|2,0,0]=4 82 B12R1.48 COc1ccc(cc1N)C(=O)O A2Z00048893 [0,1,0,0,1,0|1,0,0]=3 83 B12R1.48 Cc1cc(ccc1OC)C(=O)C A2Z00046352 [0,1,0,0,1,0|0,0,0]=2 84 B12R1.256 CC(=O)c1ccc(cc1)C(=O)O A2Z00049391 [0,1,0,0,1,0|2,0,0]=4 85 B12R1.256 CC(=O)c1ccc(cc1)[N+](=O)[O-] A2Z00094724 [0,1,0,0,1,0|2,0,0]=4 86 B12R1.256 CC(C)c1ccc(cc1)C(=O)O A2Z00083105 [0,1,0,0,1,0|2,0,0]=4 87 B12R1.452 COc1ccc(c(c1)N)C(=O)O A2Z00061322 [0,1,0,0,1,0|1,0,0]=3 88 B14R1.2 CC(CC(=O)O)c1ccc(cc1)OC A2Z00094015 [0,1,0,0,0,1|1,0,0]=3 89 B14R1.2 CCc1ccc(cc1)C(C)CC(=O)Cl A2Z00046305 [0,1,0,0,0,1|2,0,0]=4 90 B14R1.2 CCc1ccc(cc1)C(C)CC(=O)O A2Z00094014 [0,1,0,0,0,1|2,0,0]=4 91 B14R1.2 C\C(=C/C(=O)O)\c1ccc(cc1)OC A2Z00046262 [0,1,0,0,0,1|1,0,1]=4 92 B14R1.142 CCCc1ccc(cc1)OCC(=O)O A2Z00033844 [0,1,0,0,0,1|2,0,0]=4 93 B14R1.142 CCOc1ccc(cc1)\C=C\C(=O)O A2Z00078823 [0,1,0,0,0,1|1,0,1]=4 94 B14R1.419 CC(=C)COc1ccc(cc1)C(=O)C A2Z00069981 [0,1,0,0,0,1|2,0,0]=4 95 B14R1.419 CC(C)c1ccc(cc1)OCC(=O)O A2Z00037155 [0,1,0,0,0,1|2,0,0]=4 96 B14R1.954 CCc1ccc(cc1)NC(=O)CC#N A2Z00099290 [0,2,0,0,0,0|2,0,0]=4 97 B14R1.954 COc1ccc(cc1)NC(=O)CC#N A2Z00035602 [0,2,0,0,0,0|1,0,0]=3 98 B14R1.2879 CC(C)c1ccc(cc1)NC(=O)CS A2Z00064162 [0,2,0,0,0,0|2,0,0]=4 99 B14R1.2879 CC(C)c1ccc(cc1)OC(=O)CN A2Z00049404 [0,2,0,0,0,0|2,0,0]=4 100 B14R1.2879 CN(C)c1ccc(cc1)NC(=O)CN A2Z00044977 [0,2,0,0,0,0|2,0,0]=4 101 B14R1.3652 COc1ccc(cc1Br)C(=O)C(=O)O A2Z00049305 [0,2,0,0,0,0|1,0,1]=4 102 B14R1.8 CN(C)C(CN)c1ccc(cc1)OC A2Z00039210 [0,2,0,0,0,0|2,0,0]=4 103 B14R1.213 CC(C)(c1ccc(cc1)OC)C(=O)O A2Z00061701 [0,2,0,0,0,0|1,0,0]=3 104 B14R1.805 CC(=O)Oc1ccc(cc1)OC(=O)C A2Z00098052 [0,2,0,0,0,0|1,0,0]=3 105 B14R1.805 CC(C)Oc1ccc(cc1)NC(=O)C A2Z00096983 [0,2,0,0,0,0|1,0,0]=3 106 B14R1.101 COc1ccc(c(c1)OC)CC(=O)O A2Z00097920 [0,2,0,0,0,0|1,0,0]=3 107 B12R1.453 CC(=O)c1cc(ccc1Cl)OC A2Z00056965 [0,0,1,1,0,0|1,0,1]=4 108 B12R2.606 Cc1nc2cc(ccc2o1)O A2Z00070118 [1,0,0,1,0,0|2,0,0]=4 109 B12R2.606 Cc1nc2cc(ccc2s1)O A2Z00097538 [1,0,0,1,0,0|2,0,0]=4 110 B12R2.606 Cc1nc2ccc(cc2o1)O A2Z00070115 [1,0,0,1,0,0|1,0,1]=4 111 B12R2.606 c1cc2c(cc1Br)CC(=O)N2 A2Z00094309 [1,0,0,1,0,0|2,0,0]=4 112 B12R2.606 c1cc2c(cc1N)CC(=O)N2 A2Z00095275 [1,0,0,1,0,0|2,0,0]=4 113 B12R2.606 c1cc2c(cc1O)sc(=O)o2 A2Z00017241 [1,0,0,1,0,0|2,0,0]=4 114 B12R2.9 COc1ccc(cc1)C2CO2 A2Z00094232 [1,0,0,1,0,0|1,0,0]=3 115 B12R2.44 COc1ccc2c(c1)CCO2 A2Z00050460 [1,0,0,1,0,0|1,0,1]=4 116 B12R2.44 COc1ccc2c(c1)[nH]cn2 A2Z00097328 [1,0,0,1,0,0|2,0,0]=4 117 B12R2.44 COc1ccc2c(c1)cc[nH]2 A2Z00047975 [1,0,0,1,0,0|1,0,1]=4 118 B12R2.44 COc1ccc2c(c1)nc[nH]2 A2Z00062449 [1,0,0,1,0,0|2,0,0]=4 119 B12R2.44 COc1ccc2c(c1)ncs2 A2Z00062352 [1,0,0,1,0,0|2,0,0]=4 120 B14R2.134 CC1Cc2cc(ccc2NC1)OC A2Z00046503 [0,0,0,1,0,1|1,0,1]=4 121 B14R2.2332 CC1Cc2ccc(cc2NC1)OC A2Z00046502 [0,1,0,1,0,0|1,0,1]=4 122 B14R2.3274 COc1ccc2c(c1)C(=O)C(=O)N2 A2Z00058621 [0,1,0,1,0,0|1,0,1]=4 123 B14R2.3274 COc1ccc2c(c1)C(=O)C(C2)Br A2Z00047935 [0,1,0,1,0,0|1,0,1]=4 124 B14R2.3304 COc1ccc2c(c1)cc([nH]2)CO A2Z00096493 [0,1,0,1,0,0|2,0,0]=4 125 B14R2.1008 CC(=O)Cc1ccc2c(c1)CCC2 A2Z00049806 [0,1,0,1,0,0|1,0,0]=3 126 B14R2.1815 COc1ccc2c(c1)NC(=O)C2=O A2Z00061401 [0,1,0,1,0,0|1,0,1]=4 127 B10R1.13 CC(=O)c1ccc(cc1)Cl A2Z00038583 [1,0,0,0,1,0|1,0,0]=3 128 B10R1.13 CC(C)c1ccc(cc1)O A2Z00093536 [1,0,0,0,1,0|1,0,1]=4 129 B10R1.13 Cc1ccc(cc1)C(=O)O A2Z00030670 [1,0,0,0,1,0|1,0,0]=3 130 B10R1.13 Cc1ccc(cc1)C(=S)N A2Z00038400 [1,0,0,0,1,0|1,1,0]=4 131 B10R1.13 c1cc(ccc1C(=N)N)O A2Z00070221 [1,0,0,0,1,0|2,0,0]=4 132 B10R1.13 c1cc(ccc1C(=O)N)Br A2Z00038699 [1,0,0,0,1,0|2,0,0]=4 133 B10R1.13 c1cc(ccc1C(=O)N)O A2Z00093462 [1,0,0,0,1,0|1,0,0]=3 134 B10R1.13 c1cc(ccc1C(=O)O)Br A2Z00093455 [1,0,0,0,1,0|2,0,0]=4 135 B10R1.13 c1cc(ccc1C(=O)O)F A2Z00038620 [1,0,0,0,1,0|2,0,0]=4 136 B10R1.13 c1cc(ccc1C(=O)O)N A2Z00093468 [1,0,0,0,1,0|2,0,0]=4 137 B10R1.54 Cc1ccc(o1)CC(=O)O A2Z00049556 [1,0,0,0,1,0|2,0,0]=4 138 B12R1.21 CC(=O)CCc1ccc(cc1)Br A2Z00049942 [1,0,0,0,0,1|1,0,0]=3 139 B12R1.21 Cc1cc[n+](cc1)CCC(=O)O A2Z00069168 [1,0,0,0,0,1|2,0,0]=4 140 B12R1.21 Cc1ccc(cc1)CCC(=O)O A2Z00082764 [1,0,0,0,0,1|1,0,0]=3 141 B12R1.21 Cc1ccc(cc1)OCC(=O)Cl A2Z00038613 [1,0,0,0,0,1|1,0,0]=3 142 B12R1.21 Cc1ccc(cc1)OCC(=O)O A2Z00097825 [1,0,0,0,0,1|1,0,0]=3 143 B12R1.21 Cc1ccc(cc1)\C=C\C(=O)O A2Z00036119 [1,0,0,0,0,1|1,0,1]=4 144 B12R1.21 c1cc(ccc1CCC(=O)O)Cl A2Z00038303 [1,0,0,0,0,1|2,0,0]=4 145 B12R1.21 c1cc(ccc1CCC(=O)O)F A2Z00039157 [1,0,0,0,0,1|2,0,0]=4 146 B12R1.21 c1cc(ccc1CCC(=O)O)O A2Z00096742 [1,0,0,0,0,1|1,0,0]=3 147 B12R1.21 c1cc(ccc1NCC(=O)O)Cl A2Z00056215 [1,0,0,0,0,1|2,0,0]=4 148 B12R1.21 c1cc(ccc1SCC(=O)O)Br A2Z00096549 [1,0,0,0,0,1|2,0,0]=4 149 B14R1.4 COc1ccc(cc1)OCCC(=O)O A2Z00095436 [0,0,0,0,0,2|1,0,0]=3