0 B12R1.5 CCC(=O)c1ccc(cc1)OC A2Z00094035 [0,0,0,0,0,0|1,0,0]=1 1 B12R1.5 CCc1ccc(cc1)C(=O)CCl A2Z00094268 [0,0,0,0,0,0|3,0,0]=3 2 B12R1.5 COC(=O)c1ccc(cc1)CN A2Z00069064 [0,0,0,0,0,0|2,0,0]=2 3 B12R1.5 COC(=O)c1ccc(cc1)CN A2Z00096145 [0,0,0,0,0,0|2,0,0]=2 4 B12R1.5 COC(=O)c1ccc(nc1)C#N A2Z00096192 [0,0,0,0,0,0|3,0,0]=3 5 B12R1.5 COC(=O)c1ccc(nc1)CN A2Z00096464 [0,0,0,0,0,0|3,0,0]=3 6 B12R1.5 COC(=O)c1cnc(cn1)C=O A2Z00096596 [0,0,0,0,0,0|4,0,0]=4 7 B12R1.5 COc1ccc(cc1)C(=O)CCl A2Z00094274 [0,0,0,0,0,0|2,0,0]=2 8 B12R1.5 COc1ccc(cc1)C(C#N)N A2Z00047032 [0,0,0,0,0,0|3,0,1]=4 9 B12R1.5 COc1ccc(cc1)C(CN)O A2Z00095910 [0,0,0,0,0,0|2,0,2]=4 10 B12R1.5 COc1cnc(cn1)C(=O)OC A2Z00096404 [0,0,0,0,0,0|2,0,0]=2 11 B11R1.3 CC(C)c1ccc(cc1)OC A2Z00094996 [1,0,0,0,0,0|1,0,1]=3 12 B11R1.3 CC(c1ccc(cc1)OC)Cl A2Z00048085 [1,0,0,0,0,0|1,0,1]=3 13 B11R1.3 CC(c1ccc(cc1)OC)N A2Z00038484 [1,0,0,0,0,0|1,0,1]=3 14 B11R1.3 CC(c1ccc(cc1)OC)O A2Z00094294 [1,0,0,0,0,0|0,0,2]=3 15 B11R1.3 CCc1ccc(cc1)C(=N)N A2Z00038652 [1,0,0,0,0,0|3,0,0]=4 16 B11R1.3 CCc1ccc(cc1)C(=O)O A2Z00083092 [1,0,0,0,0,0|1,0,0]=2 17 B11R1.3 CCc1ccc(cc1)C(=S)N A2Z00038707 [1,0,0,0,0,0|2,1,0]=4 18 B11R1.3 CCc1ccc(cc1)C(C)N A2Z00038383 [1,0,0,0,0,0|2,0,1]=4 19 B11R1.3 COc1ccc(cc1)C(=O)O A2Z00038625 [1,0,0,0,0,0|0,0,0]=1 20 B11R1.3 COc1ccc(cc1)C(=S)N A2Z00038402 [1,0,0,0,0,0|1,1,0]=3 21 B11R1.3 COc1ccc(cn1)[N+](=O)[O-] A2Z00096485 [1,0,0,0,0,0|2,0,1]=4 22 B11R1.3 c1cc(ccc1C#N)C(=O)O A2Z00097496 [1,0,0,0,0,0|2,0,0]=3 23 B11R1.3 c1cc(ccc1C=O)C(=O)O A2Z00097123 [1,0,0,0,0,0|2,0,0]=3 24 B11R1.3 c1cc(ccc1CN)C(=O)N A2Z00074039 [1,0,0,0,0,0|3,0,0]=4 25 B11R1.3 c1cc(ccc1CN)C(=O)O A2Z00038655 [1,0,0,0,0,0|2,0,0]=3 26 B11R1.3 c1cc(ncc1C(=O)O)C#N A2Z00096360 [1,0,0,0,0,0|3,0,0]=4 27 B11R1.22 CC(c1ccc(cc1)F)OC A2Z00094924 [1,0,0,0,0,0|2,0,1]=4 28 B11R1.22 CCC(=O)c1ccc(cc1)Br A2Z00094034 [1,0,0,0,0,0|2,0,0]=3 29 B11R1.22 CCC(=O)c1ccc(cc1)F A2Z00094033 [1,0,0,0,0,0|2,0,0]=3 30 B11R1.22 CNC(=O)c1ccc(cc1)Cl A2Z00053054 [1,0,0,0,0,0|2,0,0]=3 31 B11R1.22 COC(=O)c1ccc(nc1)N A2Z00070242 [1,0,0,0,0,0|2,0,0]=3 32 B11R1.22 COC(=O)c1cnc(cn1)Br A2Z00096452 [1,0,0,0,0,0|3,0,0]=4 33 B11R1.22 COC(=O)c1cnc(cn1)Cl A2Z00096393 [1,0,0,0,0,0|3,0,0]=4 34 B11R1.22 COC(=O)c1cnc(cn1)O A2Z00096407 [1,0,0,0,0,0|2,0,0]=3 35 B11R1.22 Cc1cnc(cn1)C(=O)OC A2Z00096105 [1,0,0,0,0,0|2,0,0]=3 36 B11R1.22 c1cc(ccc1C(=O)CBr)Br A2Z00068657 [1,0,0,0,0,0|3,0,0]=4 37 B11R1.22 c1cc(ccc1C(=O)CCl)Cl A2Z00094275 [1,0,0,0,0,0|3,0,0]=4 38 B11R1.22 c1cc(ccc1C(=O)CCl)F A2Z00094272 [1,0,0,0,0,0|3,0,0]=4 39 B11R1.22 c1cc(ccc1C(=O)CN)F A2Z00094016 [1,0,0,0,0,0|3,0,0]=4 40 B11R1.22 c1cc(ccc1C(=O)NN)Br A2Z00014663 [1,0,0,0,0,0|3,0,0]=4 41 B11R1.22 c1cc(ccc1C(=O)NN)F A2Z00014685 [1,0,0,0,0,0|3,0,0]=4 42 B11R1.83 COc1ccc(cc1)CC#N A2Z00038624 [1,0,0,0,0,0|2,0,1]=4 43 B11R1.83 COc1ccc(cc1)CCN A2Z00038582 [1,0,0,0,0,0|2,0,1]=4 44 B13R1.36 CC(C(=O)c1ccc(cc1)OC)Br A2Z00070057 [0,1,0,0,0,0|1,0,0]=2 45 B13R1.36 CC(C)C(c1ccc(cc1)OC)N A2Z00087586 [0,1,0,0,0,0|2,0,1]=4 46 B13R1.39 CCC(CC)c1ccc(cc1)OC A2Z00095514 [0,1,0,0,0,0|2,0,1]=4 47 B13R1.452 CNCC(c1ccc(cc1)OC)O A2Z00046550 [0,1,0,0,0,0|1,0,2]=4 48 B13R1.452 COc1ccc(cc1)C(=O)CC#N A2Z00097412 [0,1,0,0,0,0|1,0,1]=3 49 B13R1.537 CC(C)c1ccc(cc1)C(=O)CCl A2Z00048109 [0,1,0,0,0,0|3,0,0]=4 50 B13R1.537 CCC(=O)c1ccc(cc1)C(C)C A2Z00068481 [0,1,0,0,0,0|2,0,0]=3 51 B13R1.3088 CCC(=O)c1ccc(c(c1)C)OC A2Z00046353 [0,1,0,0,0,0|1,0,0]=2 52 B13R1.3088 COc1ccc(cc1Cl)C(=O)C=C A2Z00049704 [0,1,0,0,0,0|1,0,1]=3 53 B13R1.3088 COc1ccc(cc1F)C(=O)CCl A2Z00094485 [0,1,0,0,0,0|2,0,0]=3 54 B11R1.44 COC(=O)c1cc(c[nH]1)C=O A2Z00096186 [0,0,0,0,1,0|3,0,0]=4 55 B11R1.44 COC(=O)c1ccc([nH]1)C=O A2Z00096185 [0,0,0,0,1,0|3,0,0]=4 56 B11R1.44 COC(=O)c1ccc(o1)C#N A2Z00046652 [0,0,0,0,1,0|3,0,0]=4 57 B11R1.44 COC(=O)c1ccc(o1)C=O A2Z00049584 [0,0,0,0,1,0|3,0,0]=4 58 B13R1.5 CCc1ccc(cc1)NC(=O)CCl A2Z00075760 [0,0,0,0,0,1|3,0,0]=4 59 B13R1.5 CCc1ccc(cc1)NC(=O)CS A2Z00064161 [0,0,0,0,0,1|3,0,0]=4 60 B10R1.3 COc1ccc(cc1)CN A2Z00093434 [2,0,0,0,0,0|1,0,1]=4 61 B10R1.3 COc1ccc(cc1)CO A2Z00062142 [2,0,0,0,0,0|0,0,1]=3 62 B10R1.3 c1cc(ccc1C=O)C#N A2Z00094838 [2,0,0,0,0,0|2,0,0]=4 63 B10R1.13 CC(=O)c1ccc(cc1)Cl A2Z00038583 [2,0,0,0,0,0|1,0,0]=3 64 B10R1.13 CC(C)c1ccc(cc1)O A2Z00093536 [2,0,0,0,0,0|1,0,1]=4 65 B10R1.13 Cc1ccc(cc1)C(=O)O A2Z00030670 [2,0,0,0,0,0|0,0,0]=2 66 B10R1.13 Cc1ccc(cc1)C(=S)N A2Z00038400 [2,0,0,0,0,0|1,1,0]=4 67 B10R1.13 Cc1cnc(cn1)C(=O)O A2Z00096093 [2,0,0,0,0,0|2,0,0]=4 68 B10R1.13 c1c(ncc(n1)O)C(=O)O A2Z00096301 [2,0,0,0,0,0|2,0,0]=4 69 B10R1.13 c1cc(=O)[nH]cc1C(=O)O A2Z00094278 [2,0,0,0,0,0|1,0,1]=4 70 B10R1.13 c1cc(ccc1C(=N)N)O A2Z00070221 [2,0,0,0,0,0|2,0,0]=4 71 B10R1.13 c1cc(ccc1C(=O)N)Br A2Z00038699 [2,0,0,0,0,0|2,0,0]=4 72 B10R1.13 c1cc(ccc1C(=O)N)O A2Z00093462 [2,0,0,0,0,0|1,0,0]=3 73 B10R1.13 c1cc(ccc1C(=O)O)Br A2Z00093455 [2,0,0,0,0,0|1,0,0]=3 74 B10R1.13 c1cc(ccc1C(=O)O)F A2Z00038620 [2,0,0,0,0,0|1,0,0]=3 75 B10R1.13 c1cc(ccc1C(=O)O)N A2Z00093468 [2,0,0,0,0,0|1,0,0]=3 76 B10R1.13 c1cc(ncc1C(=O)O)Cl A2Z00096110 [2,0,0,0,0,0|2,0,0]=4 77 B10R1.1 CCCc1ccc(cc1)O A2Z00038635 [2,0,0,0,0,0|1,0,1]=4 78 B10R1.15 c1ccc(cc1)C(=O)C=O A2Z00094839 [2,0,0,0,0,0|2,0,0]=4 79 B12R1.6 CC(C)(c1ccc(cc1)OC)N A2Z00061577 [1,1,0,0,0,0|1,0,1]=4 80 B12R1.6 COc1ccc(cc1)S(=O)(=O)Cl A2Z00094078 [1,1,0,0,0,0|1,0,1]=4 81 B12R1.48 CC(=O)c1ccc(c(c1)Br)OC A2Z00048841 [1,1,0,0,0,0|0,0,0]=2 82 B12R1.48 CC(=O)c1ccc(c(c1)Br)SC A2Z00096050 [1,1,0,0,0,0|0,1,0]=3 83 B12R1.48 CC(C)c1ccc(c(c1)Br)OC A2Z00049810 [1,1,0,0,0,0|1,0,1]=4 84 B12R1.48 COc1ccc(cc1Br)C(=O)O A2Z00095298 [1,1,0,0,0,0|0,0,0]=2 85 B12R1.48 COc1ccc(cc1Br)C(=S)N A2Z00038496 [1,1,0,0,0,0|1,1,0]=4 86 B12R1.48 COc1ccc(cc1Br)S(=O)O A2Z00049796 [1,1,0,0,0,0|1,0,0]=3 87 B12R1.48 COc1ccc(cc1N)C(=O)O A2Z00048893 [1,1,0,0,0,0|0,0,0]=2 88 B12R1.48 Cc1cc(ccc1OC)C(=O)C A2Z00046352 [1,1,0,0,0,0|0,0,0]=2 89 B12R1.113 CCOc1ccc(cc1)C(=O)O A2Z00034515 [1,1,0,0,0,0|0,0,0]=2 90 B12R1.113 CSCc1ccc(cc1)C(=O)O A2Z00070135 [1,1,0,0,0,0|0,1,0]=3 91 B12R1.256 B(c1ccc(cc1)C(=O)O)(O)O A2Z00009569 [1,1,0,0,0,0|2,0,0]=4 92 B12R1.256 CC(=O)c1ccc(cc1)C(=O)O A2Z00049391 [1,1,0,0,0,0|1,0,0]=3 93 B12R1.256 CC(=O)c1ccc(cc1)[N+](=O)[O-] A2Z00094724 [1,1,0,0,0,0|2,0,0]=4 94 B12R1.256 CC(C)c1ccc(cc1)C(=O)O A2Z00083105 [1,1,0,0,0,0|1,0,0]=3 95 B12R1.452 COc1ccc(c(c1)N)C(=O)O A2Z00061322 [1,1,0,0,0,0|0,0,0]=2 96 B12R1.16 CCCC(=O)c1ccc(cc1)Cl A2Z00097921 [1,1,0,0,0,0|2,0,0]=4 97 B12R1.16 CCCC(=O)c1ccc(cc1)F A2Z00094271 [1,1,0,0,0,0|2,0,0]=4 98 B12R1.16 CCOC(=O)c1ccc(cc1)F A2Z00094784 [1,1,0,0,0,0|1,0,0]=3 99 B12R1.16 CCOC(=O)c1ccc(cc1)N A2Z00030702 [1,1,0,0,0,0|1,0,0]=3 100 B12R1.16 CCOC(=O)c1cnc(cn1)C A2Z00096117 [1,1,0,0,0,0|2,0,0]=4 101 B12R1.16 c1cc(ccc1C(=O)CCBr)Br A2Z00070059 [1,1,0,0,0,0|2,0,0]=4 102 B12R1.20 CC(=O)C(=O)c1ccc(cc1)Br A2Z00049455 [1,1,0,0,0,0|2,0,0]=4 103 B12R1.20 CC(=O)C(=O)c1ccc(cc1)F A2Z00049436 [1,1,0,0,0,0|2,0,0]=4 104 B12R1.20 CC(C)C(=O)c1ccc(cc1)Cl A2Z00046355 [1,1,0,0,0,0|2,0,0]=4 105 B12R1.20 CC(C)C(=O)c1ccc(cc1)F A2Z00046354 [1,1,0,0,0,0|2,0,0]=4 106 B12R1.20 CN(C)C(=O)c1ccc(cc1)O A2Z00034159 [1,1,0,0,0,0|1,0,0]=3 107 B12R1.20 Cc1ccc(cc1)C(=O)C(C)Br A2Z00070053 [1,1,0,0,0,0|1,0,0]=3 108 B12R1.367 CCC(=O)c1ccc(c(c1)C)C A2Z00068482 [1,1,0,0,0,0|1,0,0]=3 109 B12R1.367 COC(=O)c1ccc(c(c1)N)Cl A2Z00094243 [1,1,0,0,0,0|1,0,0]=3 110 B12R1.367 COC(=O)c1ccc(c(c1)O)N A2Z00069834 [1,1,0,0,0,0|1,0,0]=3 111 B12R1.367 Cc1ccc(cc1C)C(=O)CCl A2Z00094276 [1,1,0,0,0,0|2,0,0]=4 112 B12R1.1703 CCC(=O)c1ccc(cc1F)F A2Z00050173 [1,1,0,0,0,0|2,0,0]=4 113 B12R1.1703 COC(=O)c1ccc(cc1O)O A2Z00077106 [1,1,0,0,0,0|0,0,0]=2 114 B12R1.1703 COC(=O)c1cnc(cc1N)Cl A2Z00096459 [1,1,0,0,0,0|2,0,0]=4 115 B12R1.1703 Cc1ccc(c(c1)C)C(=O)CCl A2Z00048050 [1,1,0,0,0,0|2,0,0]=4 116 B12R1.71 CNCCc1ccc(cc1)OC A2Z00045070 [1,1,0,0,0,0|1,0,1]=4 117 B12R1.71 COc1ccc(cc1)CCCN A2Z00046194 [1,1,0,0,0,0|1,0,1]=4 118 B12R1.71 COc1ccc(cc1)OCCBr A2Z00098310 [1,1,0,0,0,0|2,0,0]=4 119 B12R1.71 COc1ccc(cc1)OCCN A2Z00038367 [1,1,0,0,0,0|2,0,0]=4 120 B12R1.359 CC(=O)c1cc([nH]c1)C(=O)OC A2Z00096535 [0,1,0,0,1,0|2,0,0]=4 121 B12R1.359 CC(=O)c1ccc([nH]1)C(=O)OC A2Z00050423 [0,1,0,0,1,0|2,0,0]=4 122 B14R1.954 COc1ccc(cc1)NC(=O)CC#N A2Z00035602 [0,1,0,0,0,1|1,0,1]=4 123 B14R1.3652 COc1ccc(cc1Br)C(=O)C(=O)O A2Z00049305 [0,2,0,0,0,0|2,0,0]=4 124 B14R1.3652 Cc1cc(ccc1OC)C(=O)C(C)C A2Z00094036 [0,2,0,0,0,0|1,0,0]=3 125 B14R1.25 CCOC(=O)c1ccc(cc1)CC#N A2Z00069880 [0,2,0,0,0,0|1,0,1]=4 126 B14R1.65 COC(=O)c1ccc(cc1)OCC#N A2Z00037789 [0,2,0,0,0,0|0,0,0]=2 127 B14R1.926 COc1ccc(cc1)C(=O)CCCCl A2Z00094273 [0,2,0,0,0,0|1,0,0]=3 128 B14R1.747 Cc1cc(ccc1[N+](=O)[O-])C(=O)OC A2Z00050198 [0,2,0,0,0,0|2,0,0]=4 129 B14R1.1864 CCC(=O)c1ccc(c(c1)OC)OC A2Z00068483 [0,2,0,0,0,0|1,0,0]=3 130 B12R1.24 Cn1cccc(c1=O)C(=O)OC A2Z00096625 [0,0,1,1,0,0|2,0,0]=4 131 B12R2.9 COc1ccc(cc1)C2CO2 A2Z00094232 [1,0,0,1,0,0|0,0,2]=4 132 B12R2.44 COc1ccc2c(c1)CCO2 A2Z00050460 [1,0,0,1,0,0|2,0,0]=4 133 B14R2.3274 COc1ccc2c(c1)C(=O)C(=O)N2 A2Z00058621 [0,0,0,1,0,1|2,0,0]=4 134 B14R2.329 COc1ccc(cc1)C(=O)C2CC2 A2Z00046258 [0,1,0,1,0,0|1,0,0]=3 135 B14R2.1815 COc1ccc2c(c1)NC(=O)C2=O A2Z00061401 [0,1,0,1,0,0|2,0,0]=4 136 B14R2.152 COc1ccc2c(c1)[nH]cc2C=O A2Z00096162 [0,1,0,1,0,0|2,0,0]=4 137 B14R2.1801 COc1ccc2c(c1)cc[nH]c2=O A2Z00069903 [0,1,0,1,0,0|1,0,1]=4 138 B14R2.966 COC(=O)c1ccc2c(c1)[nH]cn2 A2Z00050389 [0,1,0,1,0,0|1,0,1]=4 139 B14R2.966 COC(=O)c1ccc2c(c1)cc[nH]2 A2Z00096307 [0,1,0,1,0,0|1,0,1]=4 140 B14R2.966 COC(=O)c1ccc2c(c1)nc[nH]2 A2Z00096552 [0,1,0,1,0,0|1,0,1]=4 141 B14R2.966 COC(=O)c1ccc2cc[nH]c2c1 A2Z00096292 [0,1,0,1,0,0|1,0,1]=4 142 B10R0.46 COC(=O)\C=C(/C(=O)OC)\N A2Z00095466 [0,0,1,0,1,0|2,0,0]=4 143 B10R1.14 COC(=O)c1ccc(o1)Br A2Z00095435 [1,0,0,0,1,0|2,0,0]=4 144 B10R1.14 Cc1cc(n[nH]1)C(=O)OC A2Z00096044 [1,0,0,0,1,0|2,0,0]=4 145 B12R1.49 COC(=O)Cc1ccc(cc1)N A2Z00094801 [1,0,0,0,0,1|1,0,0]=3 146 B12R1.49 Cc1ccc(cc1)NC(=O)CCl A2Z00075121 [1,0,0,0,0,1|2,0,0]=4 147 B12R1.49 Cc1ccc(cc1)NC(=O)CO A2Z00068361 [1,0,0,0,0,1|2,0,0]=4 148 B12R1.49 Cc1ccc(cc1)NC(=O)CS A2Z00029474 [1,0,0,0,0,1|2,0,0]=4 149 B12R1.49 Cc1ccc(cc1)OC(=O)CN A2Z00049394 [1,0,0,0,0,1|2,0,0]=4 150 B12R1.435 COC(=O)c1ccnc(c1)C#N A2Z00096344 [0,0,0,0,1,1|2,0,0]=4 151 B12R1.435 COC(=O)c1ccnc(c1)CN A2Z00096373 [0,0,0,0,1,1|2,0,0]=4