0 B12R1.43 CC(Cc1ccccc1)C(=O)O A2Z00046441 [0,0,0,0,0,0|1,0,1]=2 1 B12R1.43 C\C(=C/c1ccccc1)\C(=O)O A2Z00046434 [0,0,0,0,0,0|1,0,1]=2 2 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)N)N A2Z00087537 [0,0,0,0,0,0|2,0,1]=3 3 B12R1.43 c1ccnc(c1)NC(=O)C(=O)O A2Z00047055 [0,0,0,0,0,0|2,0,0]=2 4 B11R1.40 C\C(=C/c1ccccc1)\C=O A2Z00038627 [1,0,0,0,0,0|1,0,1]=3 5 B11R1.40 c1ccc(cc1)CC(CO)N A2Z00045068 [1,0,0,0,0,0|1,0,2]=4 6 B11R1.40 c1ccc(cc1)NC(=O)CN A2Z00044283 [1,0,0,0,0,0|2,0,1]=4 7 B11R1.40 c1ccc(cc1)NC(=O)CO A2Z00068359 [1,0,0,0,0,0|1,0,1]=3 8 B11R1.91 CC(=O)NCc1ccccn1 A2Z00094956 [1,0,0,0,0,0|3,0,0]=4 9 B11R1.91 c1c(cncn1)CCC(=O)O A2Z00050326 [1,0,0,0,0,0|2,0,1]=4 10 B11R1.91 c1cc(cnc1)NCC(=O)O A2Z00049604 [1,0,0,0,0,0|2,0,1]=4 11 B11R1.91 c1ccc(cc1)NCC(=O)O A2Z00087068 [1,0,0,0,0,0|1,0,1]=3 12 B11R1.91 c1ccnc(c1)CCC(=O)O A2Z00094491 [1,0,0,0,0,0|1,0,1]=3 13 B11R1.91 c1cnccc1\C=C\C(=O)O A2Z00094281 [1,0,0,0,0,0|1,0,1]=3 14 B13R1.133 CC(C(=O)O)Oc1ccc(cc1)Cl A2Z00038324 [0,1,0,0,0,0|2,0,1]=4 15 B13R1.133 CC(C(=O)O)Oc1ccc(cc1)O A2Z00093599 [0,1,0,0,0,0|2,0,1]=4 16 B13R1.133 CC(Cc1ccc(cc1)Cl)C(=O)O A2Z00046444 [0,1,0,0,0,0|1,0,1]=3 17 B13R1.133 CC(Cc1ccc(cc1)F)C(=O)Cl A2Z00046445 [0,1,0,0,0,0|2,0,1]=4 18 B13R1.133 CC(Cc1ccc(cc1)F)C(=O)O A2Z00046443 [0,1,0,0,0,0|1,0,1]=3 19 B13R1.133 C\C(=C/c1ccc(cc1)Cl)\C(=O)O A2Z00046437 [0,1,0,0,0,0|1,0,1]=3 20 B13R1.133 C\C(=C/c1ccc(cc1)F)\C(=O)O A2Z00094053 [0,1,0,0,0,0|1,0,1]=3 21 B13R1.133 c1cc(ccc1CC(C(=O)O)O)F A2Z00048099 [0,1,0,0,0,0|0,0,2]=3 22 B13R1.135 COC(=O)C(Cc1ccccc1)Br A2Z00047235 [0,1,0,0,0,0|1,0,1]=3 23 B13R1.135 COC(=O)C(Cc1ccccc1)Cl A2Z00048897 [0,1,0,0,0,0|1,0,1]=3 24 B13R1.135 COC(=O)C(Cc1ccccc1)N A2Z00069276 [0,1,0,0,0,0|1,0,1]=3 25 B13R1.148 C\C(=C/c1cccc(c1)Cl)\C(=O)O A2Z00046436 [0,1,0,0,0,0|1,0,1]=3 26 B13R1.152 c1ccc(cc1)C(C(C(=O)O)N)O A2Z00096319 [0,1,0,0,0,0|1,0,1]=3 27 B13R1.202 CC(Cc1ccccc1F)C(=O)O A2Z00046442 [0,1,0,0,0,0|1,0,1]=3 28 B13R1.202 C\C(=C/c1ccccc1Cl)\C(=O)O A2Z00046435 [0,1,0,0,0,0|1,0,1]=3 29 B13R1.202 C\C(=C/c1ccccc1F)\C(=O)O A2Z00094052 [0,1,0,0,0,0|1,0,1]=3 30 B13R1.202 c1ccc(c(c1)CC(C(=O)O)N)Cl A2Z00094135 [0,1,0,0,0,0|1,0,1]=3 31 B13R1.418 CC\C(=C/c1ccccc1)\C(=O)O A2Z00046440 [0,1,0,0,0,0|1,0,1]=3 32 B13R1.418 c1ccc(cc1)C=C(C#N)C(=O)O A2Z00034698 [0,1,0,0,0,0|1,0,1]=3 33 B13R1.1073 CC(C)(C(=O)O)Sc1ccccc1 A2Z00038520 [0,1,0,0,0,0|2,0,1]=4 34 B13R1.1073 CC(C)(Cc1ccccc1)C(=O)O A2Z00069866 [0,1,0,0,0,0|1,0,1]=3 35 B13R2.369 CC1C(=O)Nc2ccccc2O1 A2Z00066930 [0,0,0,1,0,0|2,0,1]=4 36 B13R2.369 Cc1cc2ccccc2[nH]c1=O A2Z00094815 [0,0,0,1,0,0|2,0,1]=4 37 B13R2.369 c1ccc2c(c1)CC(C(=O)N2)N A2Z00094761 [0,0,0,1,0,0|2,0,1]=4 38 B13R2.423 c1ccc(cc1)C2CC2C(=O)O A2Z00048075 [0,0,0,1,0,0|1,0,1]=3 39 B13R2.435 CC(=O)c1cc2ccccc2o1 A2Z00097864 [0,0,0,1,0,0|1,0,2]=4 40 B13R2.435 c1cc2c(cc([nH]2)C(=O)O)nc1 A2Z00096437 [0,0,0,1,0,0|2,0,1]=4 41 B13R2.435 c1ccc2c(c1)cc([nH]2)C(=O)O A2Z00080071 [0,0,0,1,0,0|1,0,1]=3 42 B13R2.435 c1ccc2c(c1)nc(s2)C(=O)N A2Z00009577 [0,0,0,1,0,0|2,1,0]=4 43 B11R1.35 C\C(=C/c1cccs1)\C(=O)O A2Z00046433 [0,0,0,0,1,0|2,0,1]=4 44 B11R1.36 CC(=O)C(c1ccccc1)O A2Z00049601 [0,0,0,0,1,0|1,0,2]=4 45 B11R1.36 c1ccc(cc1)C(C(=O)Cl)Cl A2Z00094848 [0,0,0,0,1,0|2,0,1]=4 46 B11R1.36 c1ccc(cc1)C(C(=O)O)Cl A2Z00094634 [0,0,0,0,1,0|1,0,1]=3 47 B13R1.348 CS(=CC(=O)Cc1ccccc1)C A2Z00094890 [0,0,0,0,0,1|3,0,0]=4 48 B10R1.17 c1ccc(cc1)CN=C=O A2Z00094082 [2,0,0,0,0,0|1,0,1]=4 49 B10R1.17 c1ccc(cc1)\C=C\C=O A2Z00038623 [2,0,0,0,0,0|0,0,1]=3 50 B10R1.18 c1ccc(cc1)CC(=O)Cl A2Z00093442 [2,0,0,0,0,0|1,0,0]=3 51 B10R1.18 c1ccc(cc1)CC(=S)N A2Z00083382 [2,0,0,0,0,0|1,1,0]=4 52 B12R1.32 COCC(=O)Nc1ccccc1 A2Z00070375 [1,1,0,0,0,0|1,0,1]=4 53 B12R1.34 COC(=O)C(c1ccccc1)N A2Z00096034 [1,1,0,0,0,0|2,0,0]=4 54 B12R1.49 COC(=O)Cc1ccc(cc1)N A2Z00094801 [1,1,0,0,0,0|2,0,0]=4 55 B12R1.49 Cc1ccc(cc1)NC(=O)CO A2Z00068361 [1,1,0,0,0,0|1,0,1]=4 56 B12R1.49 c1cc(ccc1NC(=O)CO)F A2Z00068363 [1,1,0,0,0,0|1,0,1]=4 57 B12R1.50 Cc1cccc(c1)NC(=O)CO A2Z00068360 [1,1,0,0,0,0|1,0,1]=4 58 B12R1.50 c1cc(cc(c1)Cl)NC(=O)CO A2Z00068364 [1,1,0,0,0,0|1,0,1]=4 59 B12R1.371 COC(=O)Cc1ccccc1F A2Z00095983 [1,1,0,0,0,0|2,0,0]=4 60 B12R1.371 Cc1ccccc1CC(=O)OC A2Z00095982 [1,1,0,0,0,0|2,0,0]=4 61 B12R1.21 CC(=O)CCc1ccc(cc1)Br A2Z00049942 [1,1,0,0,0,0|1,0,1]=4 62 B12R1.21 Cc1cc[n+](cc1)CCC(=O)O A2Z00069168 [1,1,0,0,0,0|1,0,1]=4 63 B12R1.21 Cc1ccc(cc1)CCC(=O)O A2Z00082764 [1,1,0,0,0,0|0,0,1]=3 64 B12R1.21 Cc1ccc(cc1)OCC(=O)O A2Z00097825 [1,1,0,0,0,0|1,0,1]=4 65 B12R1.21 Cc1ccc(cc1)\C=C\C(=O)O A2Z00036119 [1,1,0,0,0,0|0,0,1]=3 66 B12R1.21 c1cc(ccc1CCC(=O)O)Cl A2Z00038303 [1,1,0,0,0,0|0,0,1]=3 67 B12R1.21 c1cc(ccc1CCC(=O)O)F A2Z00039157 [1,1,0,0,0,0|0,0,1]=3 68 B12R1.21 c1cc(ccc1CCC(=O)O)O A2Z00096742 [1,1,0,0,0,0|0,0,1]=3 69 B12R1.21 c1cc(ccc1NCC(=O)O)Cl A2Z00056215 [1,1,0,0,0,0|1,0,1]=4 70 B12R1.21 c1cc(ccc1SCC(=O)O)Br A2Z00096549 [1,1,0,0,0,0|1,0,1]=4 71 B12R1.21 c1cc(ccc1\C=C\C(=O)O)Br A2Z00094527 [1,1,0,0,0,0|0,0,1]=3 72 B12R1.21 c1cc(ccc1\C=C\C(=O)O)Cl A2Z00034000 [1,1,0,0,0,0|0,0,1]=3 73 B12R1.21 c1cc(ccc1\C=C\C(=O)O)F A2Z00093401 [1,1,0,0,0,0|0,0,1]=3 74 B12R1.21 c1cc(ncc1CCC(=O)O)N A2Z00097668 [1,1,0,0,0,0|1,0,1]=4 75 B12R1.27 c1ccc(cc1)CCC(=O)CBr A2Z00094984 [1,1,0,0,0,0|1,0,1]=4 76 B12R1.27 c1ccc(cc1)CNC(=O)CCl A2Z00097817 [1,1,0,0,0,0|2,0,0]=4 77 B12R1.27 c1ccc(cc1)CNC(=O)CO A2Z00068365 [1,1,0,0,0,0|1,0,0]=3 78 B12R1.107 CC(CC(=O)O)c1ccccc1 A2Z00094013 [1,1,0,0,0,0|0,0,1]=3 79 B12R1.107 C\C(=C/C(=O)O)\c1ccccc1 A2Z00046260 [1,1,0,0,0,0|0,0,1]=3 80 B12R1.125 Cc1ccccc1NCC(=O)O A2Z00083483 [1,1,0,0,0,0|1,0,1]=4 81 B12R1.125 c1ccc(c(c1)CCC(=O)O)Cl A2Z00095189 [1,1,0,0,0,0|0,0,1]=3 82 B12R1.125 c1ccc(c(c1)CCC(=O)O)F A2Z00039158 [1,1,0,0,0,0|0,0,1]=3 83 B12R1.125 c1ccc(c(c1)OCC(=O)O)Cl A2Z00062552 [1,1,0,0,0,0|1,0,1]=4 84 B12R1.125 c1ccc(c(c1)\C=C\C(=O)O)Cl A2Z00033999 [1,1,0,0,0,0|0,0,1]=3 85 B12R1.125 c1ccc(c(c1)\C=C\C(=O)O)F A2Z00095186 [1,1,0,0,0,0|0,0,1]=3 86 B12R1.226 CC(=O)CCc1cccc(c1)Cl A2Z00094749 [1,1,0,0,0,0|1,0,1]=4 87 B12R1.226 c1cc(cc(c1)Br)OCC(=O)O A2Z00078437 [1,1,0,0,0,0|1,0,1]=4 88 B12R1.226 c1cc(cc(c1)Cl)CCC(=O)O A2Z00095187 [1,1,0,0,0,0|0,0,1]=3 89 B12R1.226 c1cc(cc(c1)Cl)\C=C\C(=O)O A2Z00038051 [1,1,0,0,0,0|0,0,1]=3 90 B12R1.226 c1cc(cc(c1)F)CCC(=O)O A2Z00094264 [1,1,0,0,0,0|0,0,1]=3 91 B12R1.226 c1cc(cc(c1)F)\C=C\C(=O)O A2Z00097969 [1,1,0,0,0,0|0,0,1]=3 92 B12R1.891 c1ccc(cc1)CCS(=O)(=O)O A2Z00009461 [1,1,0,0,0,0|1,0,1]=4 93 B12R1.20 C=C(c1ccc(cc1)Cl)C(=O)O A2Z00062149 [0,1,0,0,1,0|1,0,0]=3 94 B12R1.20 CC(=O)C(=O)c1ccc(cc1)Br A2Z00049455 [0,1,0,0,1,0|1,0,0]=3 95 B12R1.20 CC(=O)C(=O)c1ccc(cc1)F A2Z00049436 [0,1,0,0,1,0|1,0,0]=3 96 B12R1.20 CC(c1ccc(cc1)Br)C(=O)O A2Z00047901 [0,1,0,0,1,0|1,0,1]=4 97 B12R1.20 Cc1ccc(cc1)C(C)C(=O)O A2Z00094214 [0,1,0,0,1,0|1,0,1]=4 98 B12R1.20 c1cc(ccc1C(C(=O)O)Cl)Cl A2Z00049239 [0,1,0,0,1,0|1,0,1]=4 99 B12R1.253 CC(C)(c1ccccc1)C(=O)O A2Z00095299 [0,1,0,0,1,0|1,0,1]=4 100 B14R1.698 CC(=O)CC(=O)Nc1ccc(cc1)Cl A2Z00038633 [0,1,0,0,0,1|2,0,0]=4 101 B14R1.756 CC(C(=O)OC)NCc1ccccc1 A2Z00096573 [0,1,0,0,0,1|1,0,1]=4 102 B14R1.686 CC(Cc1ccc(c(c1)O)O)C(=O)O A2Z00050371 [0,2,0,0,0,0|1,0,1]=4 103 B14R1.686 c1cc(c(cc1NC(=O)C(=O)O)F)F A2Z00047056 [0,2,0,0,0,0|1,0,0]=3 104 B14R1.1007 COC(=O)C(Cc1ccccc1F)Br A2Z00070052 [0,2,0,0,0,0|1,0,1]=4 105 B14R1.542 CCC(Cc1cccc(c1)O)C(=O)O A2Z00049622 [0,2,0,0,0,0|1,0,1]=4 106 B14R1.542 c1cc(cc(c1)Cl)\C=C(/C#N)\C(=O)O A2Z00094794 [0,2,0,0,0,0|1,0,1]=4 107 B12R2.24 c1ccc2c(c1)NC(=O)CO2 A2Z00083158 [1,0,0,1,0,0|1,0,1]=4 108 B12R2.32 c1ccc2c(c1)cc(o2)C=O A2Z00095921 [1,0,0,1,0,0|0,0,2]=4 109 B14R2.19 c1ccc(cc1)CC2COC(=O)N2 A2Z00094895 [0,0,0,1,0,1|1,0,1]=4 110 B14R2.598 c1ccc(cc1)C2C(=O)NC(=O)N2 A2Z00098014 [0,0,0,1,0,1|1,0,0]=3 111 B14R2.768 c1ccc2c(c1)cc([nH]2)CC(=O)O A2Z00047195 [0,0,0,1,0,1|1,0,1]=4 112 B14R2.768 c1ccc2c(c1)cc(o2)CC(=O)O A2Z00070485 [0,0,0,1,0,1|0,0,2]=4 113 B14R2.781 c1ccc2c(c1)cc(nn2)C(=O)O A2Z00049201 [0,0,0,1,0,1|2,0,0]=4 114 B14R2.781 c1ccc2c(c1)ccc(n2)C(=O)O A2Z00097406 [0,0,0,1,0,1|1,0,1]=4 115 B14R2.781 c1ccc2cc(ccc2c1)C(=O)O A2Z00097506 [0,0,0,1,0,1|1,0,1]=4 116 B14R2.4402 c1cc(ccc1C2CC2C(=O)O)F A2Z00047242 [0,1,0,1,0,0|1,0,1]=4 117 B14R2.4529 Cc1ccc2cc(oc2c1)C(=O)O A2Z00050164 [0,1,0,1,0,0|0,0,2]=4 118 B14R2.4529 c1cc(cc2c1cc([nH]2)C(=O)O)Br A2Z00047194 [0,1,0,1,0,0|1,0,1]=4 119 B14R2.4529 c1cc(cc2c1cc(o2)C(=O)O)Br A2Z00050224 [0,1,0,1,0,0|0,0,2]=4 120 B14R2.4529 c1cc2c(cc1Br)CC(C2)C(=O)O A2Z00050223 [0,1,0,1,0,0|1,0,1]=4 121 B14R2.4529 c1cc2c(cc1F)cc([nH]2)C(=O)O A2Z00086999 [0,1,0,1,0,0|1,0,1]=4 122 B14R2.8239 Cc1ccc2c(c1)[nH]c(=O)c(=O)[nH]2 A2Z00096003 [0,1,0,1,0,0|2,0,0]=4 123 B14R2.1128 c1ccc2c(c1)cc(c(=O)[nH]2)C=O A2Z00095263 [0,1,0,1,0,0|1,0,1]=4 124 B14R2.7969 c1cc2c(cc(o2)C(=O)O)c(c1)Br A2Z00050225 [0,1,0,1,0,0|0,0,2]=4 125 B14R2.7969 c1cc2cc([nH]c2c(c1)Cl)C(=O)O A2Z00074005 [0,1,0,1,0,0|1,0,1]=4 126 B14R2.450 Cc1c2ccccc2oc1C(=O)O A2Z00017253 [0,1,0,1,0,0|0,0,2]=4 127 B14R2.450 Cn1c2ccccc2cc1C(=O)O A2Z00096774 [0,1,0,1,0,0|1,0,1]=4 128 B10R1.15 c1ccc(cc1)C(=O)C=O A2Z00094839 [1,0,0,0,1,0|0,0,0]=2 129 B10R1.66 c1cc([nH]c1)CCC(=O)O A2Z00094982 [1,0,0,0,1,0|1,0,1]=4 130 B10R1.66 c1cc([nH]c1)\C=C\C(=O)O A2Z00094929 [1,0,0,0,1,0|1,0,1]=4 131 B10R1.66 c1cc(oc1)CCC(=O)O A2Z00095303 [1,0,0,0,1,0|1,0,1]=4 132 B10R1.66 c1cc(oc1)\C=C\C(=O)O A2Z00085545 [1,0,0,0,1,0|1,0,1]=4 133 B10R1.66 c1cc(sc1)CCC(=O)O A2Z00095188 [1,0,0,0,1,0|1,0,1]=4 134 B10R1.66 c1cc(sc1)\C=C\C(=O)O A2Z00096656 [1,0,0,0,1,0|1,0,1]=4 135 B10R1.66 c1cscc1\C=C\C(=O)O A2Z00096366 [1,0,0,0,1,0|1,0,1]=4 136 B12R1.252 c1cc(cnc1)CCCC(=O)O A2Z00049190 [1,0,0,0,0,1|1,0,1]=4 137 B12R1.252 c1ccc(cc1)CNCC(=O)O A2Z00095934 [1,0,0,0,0,1|0,0,1]=3 138 B12R1.252 c1ccc(cc1)NCCC(=O)O A2Z00094158 [1,0,0,0,0,1|0,0,1]=3 139 B12R1.252 c1ccc(cc1)OCCC(=O)O A2Z00077109 [1,0,0,0,0,1|0,0,1]=3 140 B12R1.252 c1ccc(cc1)SCCC(=O)O A2Z00085612 [1,0,0,0,0,1|0,0,1]=3 141 B14R1.423 c1ccc(cc1)NC(=O)CCC(=O)O A2Z00039115 [0,0,0,0,0,2|1,0,0]=3 142 B14R1.818 CC(=O)CC(=O)OCc1ccccc1 A2Z00096134 [0,0,0,0,0,2|1,0,0]=3