0 B13R1.3 CC(=O)COc1ccc(cc1)C#N AB26115 [0,0,0,0,0,0|3,0,0]=3 1 B13R1.3 CC(=O)COc1ccc(cc1)OC AB16833 [0,0,0,0,0,0|1,0,0]=1 2 B13R1.3 CC(=O)OCc1ccc(nc1)C#N AB49314 [0,0,0,0,0,0|4,0,0]=4 3 B13R1.3 CNc1ccc(cc1)CCC(=O)O AB72168 [0,0,0,0,0,0|2,0,0]=2 4 B13R1.3 COc1ccc(cc1)CCC(=O)O AB00265 [0,0,0,0,0,0|1,0,0]=1 5 B13R1.3 c1cc(ccc1CCC(=O)O)C#N MB05759 [0,0,0,0,0,0|3,0,0]=3 6 B13R1.3 c1cc(ccc1CCC(=O)O)C=O MB05763 [0,0,0,0,0,0|3,0,0]=3 7 B13R1.3 c1cc(ccc1CO)OCC(=O)O AB02325 [0,0,0,0,0,0|4,0,0]=4 8 B12R1.21 CC(=O)COc1ccc(cc1)Br AB26100 [1,0,0,0,0,0|2,0,0]=3 9 B12R1.21 CC(=O)COc1ccc(cc1)Cl AB26096 [1,0,0,0,0,0|2,0,0]=3 10 B12R1.21 CC(=O)COc1ccc(cc1)F AB26104 [1,0,0,0,0,0|2,0,0]=3 11 B12R1.21 CC(=O)COc1ccc(cc1)I AB26107 [1,0,0,0,0,0|2,0,0]=3 12 B12R1.21 CN(C)CCc1ccc(cc1)N AB18473 [1,0,0,0,0,0|3,0,0]=4 13 B12R1.21 Cc1ccc(cc1)CCC(=O)O AB01198 [1,0,0,0,0,0|1,0,0]=2 14 B12R1.21 Cc1ccc(cc1)OCC(=O)C AB26110 [1,0,0,0,0,0|1,0,0]=2 15 B12R1.21 c1cc(ccc1CCC(=O)O)Br AB08447 [1,0,0,0,0,0|2,0,0]=3 16 B12R1.21 c1cc(ccc1CCC(=O)O)Cl AB01196 [1,0,0,0,0,0|2,0,0]=3 17 B12R1.21 c1cc(ccc1CCC(=O)O)F AB02388 [1,0,0,0,0,0|2,0,0]=3 18 B12R1.21 c1cc(ccc1CCC(=O)O)N AB01235 [1,0,0,0,0,0|2,0,0]=3 19 B12R1.21 c1cc(ccc1CCC(=O)O)O AB00269 [1,0,0,0,0,0|1,0,0]=2 20 B12R1.21 c1cc(ccc1OCC(=O)O)Cl AB00355 [1,0,0,0,0,0|3,0,0]=4 21 B12R1.71 CCc1ccc(cc1)CCCN AB38698 [1,0,0,0,0,0|2,0,1]=4 22 B12R1.71 CNCCc1ccc(cc1)OC AB07595 [1,0,0,0,0,0|1,0,0]=2 23 B12R1.71 CNCCc1ccc(cn1)OC AB73196 [1,0,0,0,0,0|2,0,0]=3 24 B12R1.71 COc1ccc(cc1)CCC=O AB06888 [1,0,0,0,0,0|0,0,0]=1 25 B12R1.71 COc1ccc(cc1)CCCN AB07604 [1,0,0,0,0,0|1,0,1]=3 26 B12R1.71 COc1ccc(cc1)CCCO AB00287 [1,0,0,0,0,0|0,0,2]=3 27 B12R1.71 COc1ccc(cn1)CCCN AB55109 [1,0,0,0,0,0|2,0,1]=4 28 B14R1.2 CCc1ccc(cc1)C(CC(=O)O)N AB10605 [0,1,0,0,0,0|2,0,0]=3 29 B14R1.2 CCc1ccc(cc1)[C@@H](CC(=O)O)N AB35814 [0,1,0,0,0,0|2,0,0]=3 30 B14R1.2 CCc1ccc(cc1)[C@H](CC(=O)O)N AB23537 [0,1,0,0,0,0|2,0,0]=3 31 B14R1.2 COc1ccc(cc1)C(CC(=O)O)N AB04473 [0,1,0,0,0,0|1,0,0]=2 32 B14R1.2 COc1ccc(cc1)[C@@H](CC(=O)O)N AB08689 [0,1,0,0,0,0|1,0,0]=2 33 B14R1.2 COc1ccc(cc1)[C@H](CC(=O)O)N AB17827 [0,1,0,0,0,0|1,0,0]=2 34 B14R1.3 CCc1ccc(cc1)CC(C(=O)O)N AB21663 [0,1,0,0,0,0|2,0,0]=3 35 B14R1.3 CCc1ccc(cc1)C[C@@H](C(=O)O)N AB09426 [0,1,0,0,0,0|2,0,0]=3 36 B14R1.3 CCc1ccc(cc1)C[C@H](C(=O)O)N AB33358 [0,1,0,0,0,0|2,0,0]=3 37 B14R1.3 COc1ccc(cc1)CC(C(=O)O)N AB02503 [0,1,0,0,0,0|1,0,0]=2 38 B14R1.3 COc1ccc(cc1)C[C@@H](C(=O)O)N AB00243 [0,1,0,0,0,0|1,0,0]=2 39 B14R1.211 COc1ccc(cc1)CCS(=O)(=O)Cl AB54568 [0,1,0,0,0,0|2,0,0]=3 40 B14R1.419 B(c1ccc(cc1)CCC(=O)O)(O)O AB08635 [0,1,0,0,0,0|3,0,0]=4 41 B14R1.419 B(c1ccc(cc1)CNC(=O)C)(O)O AB26390 [0,1,0,0,0,0|3,0,0]=4 42 B14R1.419 CC(=O)COc1ccc(cc1)[N+](=O)[O-] AB12119 [0,1,0,0,0,0|3,0,0]=4 43 B14R2.134 COc1cc2c(cn1)CNC(=O)C2 AB77281 [0,0,0,1,0,0|2,0,0]=3 44 B14R2.134 COc1ccc2c(c1)CC(=O)CC2 AB00149 [0,0,0,1,0,0|0,0,0]=1 45 B14R2.134 COc1ccc2c(c1)CC(CC2)N AB28763 [0,0,0,1,0,0|1,0,1]=3 46 B14R2.134 COc1ccc2c(c1)CC(CO2)N AB45764 [0,0,0,1,0,0|2,0,1]=4 47 B14R2.134 COc1ccc2c(c1)CC(CS2)N AB18488 [0,0,0,1,0,0|2,0,1]=4 48 B14R2.134 COc1ccc2c(c1)C[C@@H](CC2)N AB06762 [0,0,0,1,0,0|1,0,1]=3 49 B14R2.134 COc1ccc2c(c1)C[C@@H](CO2)N AB56590 [0,0,0,1,0,0|2,0,1]=4 50 B14R2.134 COc1ccc2c(c1)C[C@H](CC2)N AB06766 [0,0,0,1,0,0|1,0,1]=3 51 B14R2.134 COc1ccc2c(c1)C[C@H](CO2)N AB56606 [0,0,0,1,0,0|2,0,1]=4 52 B14R2.134 COc1ccc2c(c1)NC(=O)CO2 AB44261 [0,0,0,1,0,0|2,0,0]=3 53 B14R2.134 COc1ccc2c(n1)CC(=O)NC2 AB77212 [0,0,0,1,0,0|2,0,0]=3 54 B14R2.134 COc1ccc2ccc(=O)[nH]c2c1 MB07766 [0,0,0,1,0,0|1,0,2]=4 55 B14R2.134 COc1ncc2c(n1)CC(=O)CC2 AB61061 [0,0,0,1,0,0|2,0,0]=3 56 B14R2.134 Cc1ccc2ccc(cc2n1)OC AB52428 [0,0,0,1,0,0|1,0,2]=4 57 B14R2.134 c1c(cnc2c1CC(=O)CC2)C=O AB61042 [0,0,0,1,0,0|3,0,0]=4 58 B14R2.134 c1cc2c(cc1C#N)CC(=O)CO2 AB56623 [0,0,0,1,0,0|3,0,0]=4 59 B14R2.134 c1cc2c(cc1CO)NC(=O)CC2 CB11738 [0,0,0,1,0,0|3,0,0]=4 60 B12R1.4 CC(=O)Cc1ccc(cc1)OC AB00957 [0,0,0,0,1,0|0,0,0]=1 61 B12R1.4 CC(Cc1ccc(cc1)OC)N MB01555 [0,0,0,0,1,0|1,0,1]=3 62 B12R1.4 COc1ccc(cc1)CC(=N)N AB09931 [0,0,0,0,1,0|2,0,0]=3 63 B12R1.4 COc1ccc(cn1)CC(=O)O AB55204 [0,0,0,0,1,0|2,0,0]=3 64 B12R1.4 COc1cnc(cn1)CC(=O)O AB69887 [0,0,0,0,1,0|3,0,0]=4 65 B12R1.4 C[C@@H](Cc1ccc(cc1)OC)N AB70588 [0,0,0,0,1,0|1,0,1]=3 66 B12R1.4 C[C@H](Cc1ccc(cc1)OC)N AB51426 [0,0,0,0,1,0|1,0,1]=3 67 B12R1.4 c1cc(ccc1CC(=O)O)CN AB17066 [0,0,0,0,1,0|3,0,0]=4 68 B11R1.1 CNCCc1ccc(cc1)Br AB27732 [2,0,0,0,0,0|2,0,0]=4 69 B11R1.1 CNCCc1ccc(cc1)Cl AB27728 [2,0,0,0,0,0|2,0,0]=4 70 B11R1.1 CNCCc1ccc(cc1)F AB27731 [2,0,0,0,0,0|2,0,0]=4 71 B11R1.1 CNCCc1ccc(cc1)N AB27726 [2,0,0,0,0,0|2,0,0]=4 72 B11R1.1 Cc1ccc(cc1)CCC=O AB17667 [2,0,0,0,0,0|0,0,0]=2 73 B11R1.1 Cc1ccc(cc1)CCCN AB38682 [2,0,0,0,0,0|1,0,1]=4 74 B11R1.1 Cc1ccc(cc1)CCNC AB27715 [2,0,0,0,0,0|1,0,0]=3 75 B11R1.1 c1cc(ccc1CCC=O)Br AB42279 [2,0,0,0,0,0|1,0,0]=3 76 B11R1.1 c1cc(ccc1CCC=O)Cl AB42276 [2,0,0,0,0,0|1,0,0]=3 77 B11R1.1 c1cc(ccc1CCC=O)F AB43536 [2,0,0,0,0,0|1,0,0]=3 78 B11R1.1 c1cc(ccc1CCC=O)O AB49241 [2,0,0,0,0,0|0,0,0]=2 79 B11R1.1 c1cc(ccc1CCCN)O AB07598 [2,0,0,0,0,0|1,0,1]=4 80 B11R1.91 CC(=O)OCc1cccnc1 AB49310 [2,0,0,0,0,0|2,0,0]=4 81 B11R1.91 CC(=O)\C=C\c1ccccc1 CB10061 [2,0,0,0,0,0|0,0,2]=4 82 B11R1.83 CCCc1ccc(cc1)NN AB23596 [2,0,0,0,0,0|2,0,0]=4 83 B11R1.83 CNCc1ccc(cn1)OC AB67556 [2,0,0,0,0,0|2,0,0]=4 84 B11R1.83 CNCc1ccc(nc1)OC AB67058 [2,0,0,0,0,0|2,0,0]=4 85 B11R1.83 COc1ccc(cc1)CC#C AB61379 [2,0,0,0,0,0|0,0,2]=4 86 B11R1.83 COc1ccc(cc1)CC=O AB11810 [2,0,0,0,0,0|0,0,0]=2 87 B11R1.83 COc1ccc(cc1)CCO AB00284 [2,0,0,0,0,0|0,0,1]=3 88 B11R1.83 COc1ccc(cc1)CNN PB19937 [2,0,0,0,0,0|2,0,0]=4 89 B11R1.83 COc1ccc(cc1)\C=C\Br AB06149 [2,0,0,0,0,0|1,0,1]=4 90 B11R1.83 COc1ccc(cn1)CCBr AB72327 [2,0,0,0,0,0|2,0,0]=4 91 B11R1.83 COc1ccc(cn1)CCN AB45430 [2,0,0,0,0,0|2,0,0]=4 92 B11R1.83 COc1ccc(nc1)CCBr AB73197 [2,0,0,0,0,0|2,0,0]=4 93 B11R1.83 COc1ccc(nc1)CCN AB65488 [2,0,0,0,0,0|2,0,0]=4 94 B13R1.14 COC(=O)CCc1ccc(cc1)Br AB55324 [1,1,0,0,0,0|1,0,0]=3 95 B13R1.132 Cc1ccc(cc1)C(CC(=O)O)N AB10334 [1,1,0,0,0,0|1,0,0]=3 96 B13R1.132 Cc1ccc(cc1)[C@H](CC(=O)O)N AB16419 [1,1,0,0,0,0|1,0,0]=3 97 B13R1.132 c1cc(ccc1C(CC(=O)O)N)Br AB04471 [1,1,0,0,0,0|2,0,0]=4 98 B13R1.132 c1cc(ccc1C(CC(=O)O)N)Cl AB03524 [1,1,0,0,0,0|2,0,0]=4 99 B13R1.132 c1cc(ccc1C(CC(=O)O)N)O AB04424 [1,1,0,0,0,0|1,0,0]=3 100 B13R1.132 c1cc(ccc1[C@@H](CC(=O)O)N)Br AB16414 [1,1,0,0,0,0|2,0,0]=4 101 B13R1.132 c1cc(ccc1[C@@H](CC(=O)O)N)Cl AB16416 [1,1,0,0,0,0|2,0,0]=4 102 B13R1.132 c1cc(ccc1[C@@H](CC(=O)O)N)F AB16447 [1,1,0,0,0,0|2,0,0]=4 103 B13R1.132 c1cc(ccc1[C@H](CC(=O)O)N)Br AB16442 [1,1,0,0,0,0|2,0,0]=4 104 B13R1.132 c1cc(ccc1[C@H](CC(=O)O)N)F AB16446 [1,1,0,0,0,0|2,0,0]=4 105 B13R1.132 c1cc(ccc1[C@H](CC(=O)O)N)O AB17825 [1,1,0,0,0,0|1,0,0]=3 106 B13R1.133 Cc1ccc(cc1)CC(C(=O)O)N AB21662 [1,1,0,0,0,0|1,0,0]=3 107 B13R1.133 Cc1ccc(cc1)C[C@@H](C(=O)O)N AB01742 [1,1,0,0,0,0|1,0,0]=3 108 B13R1.133 c1cc(ccc1CC(C(=O)O)N)Br AB00237 [1,1,0,0,0,0|2,0,0]=4 109 B13R1.133 c1cc(ccc1CC(C(=O)O)N)Cl AB00241 [1,1,0,0,0,0|2,0,0]=4 110 B13R1.133 c1cc(ccc1CC(C(=O)O)N)F AB00239 [1,1,0,0,0,0|2,0,0]=4 111 B13R1.133 c1cc(ccc1C[C@@H](C(=O)O)N)Br AB02494 [1,1,0,0,0,0|2,0,0]=4 112 B13R1.133 c1cc(ccc1C[C@@H](C(=O)O)N)Cl AB02502 [1,1,0,0,0,0|2,0,0]=4 113 B13R1.133 c1cc(ccc1C[C@@H](C(=O)O)N)O AB00245 [1,1,0,0,0,0|1,0,0]=3 114 B13R1.133 c1cc(ccc1C[C@H](C(=O)O)N)Cl AB03058 [1,1,0,0,0,0|2,0,0]=4 115 B13R1.133 c1cc(ccc1C[C@H](C(=O)O)N)F AB02498 [1,1,0,0,0,0|2,0,0]=4 116 B13R1.133 c1cc(ccc1C[C@H](C(=O)O)N)O AB02505 [1,1,0,0,0,0|1,0,0]=3 117 B13R1.511 c1cc(c(cc1CCC(=O)O)Cl)Cl AB01193 [1,1,0,0,0,0|2,0,0]=4 118 B13R1.511 c1cc(c(cc1CCC(=O)O)F)F AB07245 [1,1,0,0,0,0|2,0,0]=4 119 B13R1.5 COc1ccc(cc1)CC(=N)OC AB60937 [1,1,0,0,0,0|1,0,1]=4 120 B13R1.74 c1cc(ccc1CCC=O)[N+](=O)[O-] AB49244 [1,1,0,0,0,0|2,0,0]=4 121 B13R1.371 CCc1ccc(cc1)CCCNC AB38788 [1,1,0,0,0,0|1,0,1]=4 122 B13R1.371 CNCCCc1ccc(cc1)OC AB38807 [1,1,0,0,0,0|0,0,1]=3 123 B13R1.371 COc1ccc(cc1)CCCCN AB07612 [1,1,0,0,0,0|0,0,1]=3 124 B13R1.452 COc1ccc(cc1)C(CCO)N AB10350 [1,1,0,0,0,0|0,0,2]=4 125 B13R1.4 CC(C)(Cc1ccc(cc1)OC)N AB54584 [0,1,0,0,1,0|1,0,1]=4 126 B13R1.36 CCc1ccc(cc1)C(C(=O)O)N AB11989 [0,1,0,0,1,0|2,0,0]=4 127 B13R1.36 CCc1ccc(cc1)C(C(=O)O)N AB24615 [0,1,0,0,1,0|2,0,0]=4 128 B13R1.36 CCc1ccc(cc1)[C@@H](C(=O)O)N AB32689 [0,1,0,0,1,0|2,0,0]=4 129 B13R1.36 CCc1ccc(cc1)[C@H](C(=O)O)N AB32688 [0,1,0,0,1,0|2,0,0]=4 130 B13R1.36 COc1ccc(cc1)C(C(=O)O)N PB10070 [0,1,0,0,1,0|1,0,0]=3 131 B13R1.36 COc1ccc(cc1)[C@@H](C(=O)O)N AB32877 [0,1,0,0,1,0|1,0,0]=3 132 B13R1.36 COc1ccc(cc1)[C@H](C(=O)O)N AB32874 [0,1,0,0,1,0|1,0,0]=3 133 B13R1.142 c1cc(ccc1CCN)CC(=O)O AB30412 [0,1,0,0,1,0|2,0,0]=4 134 B13R1.653 CC(=O)Nc1ccc(cc1Br)OC AB63495 [0,1,0,0,1,0|1,0,0]=3 135 B13R1.653 COc1ccc(c(c1)N)CC(=O)O AB26287 [0,1,0,0,1,0|1,0,0]=3 136 B15R1.5 COc1ccc(cc1)C(=O)CCC(=O)O AB00273 [0,1,0,0,0,1|1,0,0]=3 137 B15R1.205 CCc1ccc(cc1)CCC(C(=O)O)N AB33796 [0,1,0,0,0,1|2,0,0]=4 138 B15R1.205 CCc1ccc(cc1)CC[C@@H](C(=O)O)N AB33799 [0,1,0,0,0,1|2,0,0]=4 139 B15R1.205 CCc1ccc(cc1)CC[C@H](C(=O)O)N AB33797 [0,1,0,0,0,1|2,0,0]=4 140 B15R1.205 COc1ccc(cc1)CCC(C(=O)O)N AB34067 [0,1,0,0,0,1|1,0,0]=3 141 B15R1.205 COc1ccc(cc1)CC[C@@H](C(=O)O)N AB08618 [0,1,0,0,0,1|1,0,0]=3 142 B15R1.205 COc1ccc(cc1)CC[C@H](C(=O)O)N AB08621 [0,1,0,0,0,1|1,0,0]=3 143 B15R1.5504 CC(C)c1ccc(cc1)C(CC(=O)O)N AB12019 [0,2,0,0,0,0|2,0,0]=4 144 B15R1.5504 CC(C)c1ccc(cc1)[C@@H](CC(=O)O)N AB35818 [0,2,0,0,0,0|2,0,0]=4 145 B15R1.5504 CC(C)c1ccc(cc1)[C@H](CC(=O)O)N AB35817 [0,2,0,0,0,0|2,0,0]=4 146 B15R1.208 CCc1ccc(cc1)CC(CN)C(=O)O AB34783 [0,2,0,0,0,0|2,0,0]=4 147 B15R1.208 CCc1ccc(cc1)C[C@@H](CN)C(=O)O AB34786 [0,2,0,0,0,0|2,0,0]=4 148 B15R1.208 CCc1ccc(cc1)C[C@H](CN)C(=O)O AB34790 [0,2,0,0,0,0|2,0,0]=4 149 B15R1.208 COc1ccc(cc1)CC(CN)C(=O)O AB12912 [0,2,0,0,0,0|1,0,0]=3 150 B15R1.208 COc1ccc(cc1)C[C@@H](CN)C(=O)O AB35080 [0,2,0,0,0,0|1,0,0]=3 151 B15R1.208 COc1ccc(cc1)C[C@H](CN)C(=O)O AB35082 [0,2,0,0,0,0|1,0,0]=3 152 B15R1.495 CC(C)c1ccc(cc1)CC(C(=O)O)N AB21664 [0,2,0,0,0,0|2,0,0]=4 153 B15R1.495 CC(C)c1ccc(cc1)C[C@@H](C(=O)O)N AB10063 [0,2,0,0,0,0|2,0,0]=4 154 B15R1.495 CC(C)c1ccc(cc1)C[C@H](C(=O)O)N AB33366 [0,2,0,0,0,0|2,0,0]=4 155 B15R1.793 CCOC(=O)CCc1ccc(cc1)C#N MB05758 [0,2,0,0,0,0|2,0,0]=4 156 B15R1.793 CCOC(=O)CCc1ccc(cc1)C=O MB05765 [0,2,0,0,0,0|2,0,0]=4 157 B15R1.793 CCOC(=O)COc1ccc(cc1)OC AB05981 [0,2,0,0,0,0|1,0,0]=3 158 B15R1.956 B(c1ccc(cc1)CCC(=O)OC)(O)O AB20311 [0,2,0,0,0,0|2,0,0]=4 159 B15R1.498 CS(=O)(=O)c1ccc(cc1)CCC(=O)O AB08903 [0,2,0,0,0,0|1,1,0]=4 160 B15R1.12854 COc1ccc(cc1OC)CCC(=O)O AB00263 [0,2,0,0,0,0|1,0,0]=3 161 B13R2.147 c1cc(ccc1C2CC(=O)C2)Br PB24838 [1,0,0,1,0,0|1,0,0]=3 162 B13R2.155 Cc1cc2c(cn1)CNC(=O)C2 AB77276 [1,0,0,1,0,0|2,0,0]=4 163 B13R2.155 Cc1cc2c(nc1)CCC(=O)C2 AB61018 [1,0,0,1,0,0|1,0,0]=3 164 B13R2.155 Cc1ccc2c(c1)CC(=O)N=C2 MB08960 [1,0,0,1,0,0|1,0,1]=4 165 B13R2.155 Cc1ccc2c(c1)NC(=O)CO2 AB09061 [1,0,0,1,0,0|2,0,0]=4 166 B13R2.155 Cc1ccc2c(n1)CC(=O)NC2 AB77215 [1,0,0,1,0,0|2,0,0]=4 167 B13R2.155 Cc1ccc2c(n1)NC(=O)CC2 AB70359 [1,0,0,1,0,0|2,0,0]=4 168 B13R2.155 c1c(cnc2c1CC(=O)CC2)Br AB69367 [1,0,0,1,0,0|2,0,0]=4 169 B13R2.155 c1c(cnc2c1CC(=O)CC2)Cl AB61013 [1,0,0,1,0,0|2,0,0]=4 170 B13R2.155 c1c(cnc2c1CC(=O)CC2)F AB68743 [1,0,0,1,0,0|2,0,0]=4 171 B13R2.155 c1cc2c(cc1Br)CC(=O)CC2 AB17100 [1,0,0,1,0,0|1,0,0]=3 172 B13R2.155 c1cc2c(cc1Br)CC(=O)CO2 AB56614 [1,0,0,1,0,0|2,0,0]=4 173 B13R2.155 c1cc2c(cc1Cl)CC(=O)CC2 AB17122 [1,0,0,1,0,0|1,0,0]=3 174 B13R2.155 c1cc2c(cc1Cl)CC(=O)CO2 AB56616 [1,0,0,1,0,0|2,0,0]=4 175 B13R2.155 c1cc2c(cc1F)CC(=O)CC2 AB17129 [1,0,0,1,0,0|1,0,0]=3 176 B13R2.155 c1cc2c(cc1F)CC(=O)CO2 AB56620 [1,0,0,1,0,0|2,0,0]=4 177 B13R2.155 c1cc2c(cc1N)CC(=O)CC2 AB21791 [1,0,0,1,0,0|1,0,0]=3 178 B13R2.155 c1cc2c(cc1N)NC(=O)CC2 MB04272 [1,0,0,1,0,0|2,0,0]=4 179 B13R2.155 c1cc2c(cc1O)CC(=O)CC2 AB17138 [1,0,0,1,0,0|0,0,0]=2 180 B13R2.155 c1cc2c(cc1O)CC(CC2)N AB28767 [1,0,0,1,0,0|1,0,1]=4 181 B13R2.155 c1cc2c(cc1O)NC(=O)CC2 AB25068 [1,0,0,1,0,0|1,0,0]=3 182 B13R2.155 c1cc2c(cc1O)NC(=O)CO2 AB64531 [1,0,0,1,0,0|2,0,0]=4 183 B13R2.16 COc1ccc(cc1)[C@@H]2C[C@H]2N MB69384 [1,0,0,1,0,0|1,0,1]=4 184 B13R2.57 COc1cc2c(cn1)CCNC2 AB68342 [1,0,0,1,0,0|2,0,0]=4 185 B13R2.57 COc1cc2c(nc1)CCNC2 AB68781 [1,0,0,1,0,0|2,0,0]=4 186 B13R2.57 COc1ccc2c(c1)CCNC2 AB09837 [1,0,0,1,0,0|1,0,1]=4 187 B13R2.57 COc1ccc2c(c1)CNCC2 AB09126 [1,0,0,1,0,0|1,0,0]=3 188 B13R2.57 COc1ccc2c(c1)NCCC2 MB06336 [1,0,0,1,0,0|1,0,1]=4 189 B13R2.57 COc1ccc2c(n1)CNCC2 AB70130 [1,0,0,1,0,0|2,0,0]=4 190 B13R2.184 COc1ccc(cc1)OC2CC2 MB35609 [1,0,0,1,0,0|1,0,1]=4 191 B13R2.669 COc1cc2c(cn1)CNC2=O AB75341 [1,0,0,1,0,0|2,0,0]=4 192 B13R2.669 COc1ccc2c(c1)C(=O)CO2 AB45799 [1,0,0,1,0,0|1,0,0]=3 193 B13R2.669 COc1ccc2c(c1)C(=O)N=N2 AB60845 [1,0,0,1,0,0|2,0,0]=4 194 B13R2.669 COc1ccc2c(c1)C(=O)OC2 MB00644 [1,0,0,1,0,0|1,0,0]=3 195 B13R2.669 COc1ccc2c(c1)C(CC2)N AB21023 [1,0,0,1,0,0|1,0,1]=4 196 B13R2.669 COc1ccc2c(c1)C(CC2)N AB30593 [1,0,0,1,0,0|1,0,1]=4 197 B13R2.669 COc1ccc2c(c1)[C@@H](CC2)N PB26238 [1,0,0,1,0,0|1,0,1]=4 198 B13R2.669 COc1ccc2c(c1)[C@H](CC2)N PB18777 [1,0,0,1,0,0|1,0,1]=4 199 B13R2.669 CSc1ccc2c(c1)C(=O)CC2 AB44851 [1,0,0,1,0,0|0,1,0]=3 200 B13R2.669 c1cc2c(cc1C#N)C(=O)CC2 MB02308 [1,0,0,1,0,0|2,0,0]=4 201 B13R2.2121 COc1cc2c(cn1)CC(=O)N2 AB48334 [0,0,0,1,1,0|2,0,0]=4 202 B13R2.2121 COc1cc2c(cn1)NC(=O)C2 AB62587 [0,0,0,1,1,0|2,0,0]=4 203 B13R2.2121 COc1cc2c(nc1)NC(=O)C2 AB66479 [0,0,0,1,1,0|2,0,0]=4 204 B13R2.2121 COc1ccc2c(c1)CC(=O)N2 AB10027 [0,0,0,1,1,0|1,0,0]=3 205 B13R2.2121 COc1ccc2c(c1)CC(C2)N AB43715 [0,0,0,1,1,0|1,0,1]=4 206 B13R2.2121 COc1ccc2c(c1)NC(=O)C2 AB05458 [0,0,0,1,1,0|1,0,0]=3 207 B13R2.2121 COc1ccc2c(n1)CC(=O)N2 AB11411 [0,0,0,1,1,0|2,0,0]=4 208 B13R2.2121 COc1ccc2c(n1)NC(=O)C2 AB66484 [0,0,0,1,1,0|2,0,0]=4 209 B15R2.2 COc1ccc(cc1)C2CCC(=O)C2 AB26340 [0,0,0,1,0,1|0,0,0]=2 210 B15R2.2 c1cc(ccc1C#N)C2CCC(=O)C2 AB26356 [0,0,0,1,0,1|2,0,0]=4 211 B15R2.3137 COc1ccc2c(c1)C(CC2)C(=O)O AB09851 [0,0,0,1,0,1|1,0,0]=3 212 B15R2.3137 COc1ccc2c(c1)C(CO2)C(=O)O AB56755 [0,0,0,1,0,1|1,0,0]=3 213 B15R2.4845 CC1(c2cc(ccc2CCN1)OC)C AB77387 [0,0,0,1,0,1|1,0,1]=4 214 B15R2.21336 CC1C(=O)Nc2cc(ccc2O1)OC MB08914 [0,1,0,1,0,0|2,0,0]=4 215 B15R2.4776 COc1ccc2c(c1)C=C(CO2)C=O AB09679 [0,1,0,1,0,0|1,0,1]=4 216 B15R2.4776 COc1ccc2c(c1)CC(CO2)C=O AB56565 [0,1,0,1,0,0|1,0,1]=4 217 B15R2.4807 COc1ccc2c(c1)C(=O)C(CC2)Br MB00611 [0,1,0,1,0,0|1,0,1]=4 218 B15R2.7688 c1c(cnc2c1OCO2)CCC(=O)O AB73683 [0,1,0,1,0,0|2,0,0]=4 219 B15R2.1081 B(c1ccc(cc1)C2CC(=O)C2)(O)O AB15459 [0,1,0,1,0,0|2,0,0]=4 220 B15R2.7174 c1cc2c(cc1[N+](=O)[O-])CC(=O)CC2 AB28740 [0,1,0,1,0,0|2,0,0]=4 221 B11R1.20 CC(=O)Oc1ccc(cc1)Cl AB06566 [1,0,0,0,1,0|2,0,0]=4 222 B11R1.20 Cc1ccc(cc1)CC(=N)N AB29086 [1,0,0,0,1,0|2,0,0]=4 223 B11R1.20 Cc1ccc(cc1)CC(C)N MB01961 [1,0,0,0,1,0|1,0,1]=4 224 B11R1.20 Cc1ccc(cn1)CC(=O)O AB04515 [1,0,0,0,1,0|2,0,0]=4 225 B11R1.20 Cc1ccc(nc1)CC(=O)O AB55198 [1,0,0,0,1,0|2,0,0]=4 226 B11R1.20 c1cc(ccc1CC(=O)O)Br AB00367 [1,0,0,0,1,0|2,0,0]=4 227 B11R1.3 CC(=O)c1ccc(cc1)C#C AB21444 [0,0,0,0,2,0|1,0,1]=4 228 B11R1.3 CC(=O)c1ccc(cn1)OC PB14835 [0,0,0,0,2,0|1,0,0]=3 229 B11R1.3 CC(=O)c1ccc(nc1)OC AB22367 [0,0,0,0,2,0|1,0,0]=3 230 B11R1.3 CC(=O)c1ccc(nn1)OC AB70140 [0,0,0,0,2,0|2,0,0]=4 231 B11R1.3 CC(=O)c1cnc(cn1)OC AB69890 [0,0,0,0,2,0|2,0,0]=4 232 B11R1.3 COc1ccc(cc1)C(=N)N AB06258 [0,0,0,0,2,0|2,0,0]=4 233 B11R1.3 COc1ccc(cc1)C(=O)N AB00908 [0,0,0,0,2,0|1,0,0]=3 234 B11R1.3 COc1ccc(cc1)C(=S)N AB01847 [0,0,0,0,2,0|1,1,0]=4 235 B11R1.3 COc1ccc(cn1)C(=O)O PB30805 [0,0,0,0,2,0|2,0,0]=4 236 B11R1.3 COc1ccc(nc1)C(=O)O PB17398 [0,0,0,0,2,0|2,0,0]=4 237 B13R1.513 CC(=O)OCCc1ccc(cc1)O AB51485 [1,0,0,0,0,1|0,0,0]=2 238 B13R1.513 c1cc(ccc1CCCC(=O)O)Br MB01227 [1,0,0,0,0,1|2,0,0]=4 239 B13R1.513 c1cc(ccc1NCCC(=O)O)Br AB51540 [1,0,0,0,0,1|2,0,0]=4 240 B13R1.513 c1cc(ccc1NCCC(=O)O)Cl AB07378 [1,0,0,0,0,1|2,0,0]=4 241 B13R1.513 c1cc(ccc1NCCC(=O)O)I AB52822 [1,0,0,0,0,1|2,0,0]=4 242 B13R1.643 CC(=O)COc1cccc(c1)OC AB26139 [0,0,0,0,1,1|1,0,0]=3 243 B13R1.643 COc1cc(ccn1)CCC(=O)O AB61449 [0,0,0,0,1,1|1,0,0]=3 244 B13R1.643 COc1cccc(c1)CCC(=O)O AB01136 [0,0,0,0,1,1|1,0,0]=3 245 B13R1.643 COc1cccc(c1)CCC(=O)[O-] AB72173 [0,0,0,0,1,1|1,0,0]=3 246 B13R1.643 COc1cccc(n1)CCC(=O)O AB61453 [0,0,0,0,1,1|2,0,0]=4