0 B11R1.91 CC(=O)COc1ccccc1 AS05273 [0,0,0,0,0,0|1,0,2]=3 1 B11R1.91 CC(=O)OCc1ccccc1 AS01460 [0,0,0,0,0,0|1,0,2]=3 2 B11R1.91 c1ccc(cc1)C=CC(=O)O AS07055 [0,0,0,0,0,0|1,0,3]=4 3 B10R1.17 CCCOc1ccccc1 AS01111 [1,0,0,0,0,0|1,0,0]=2 4 B10R1.17 c1ccc(cc1)CCCBr AS03468 [1,0,0,0,0,0|1,0,0]=2 5 B10R1.17 c1ccc(cc1)CN=C=S AS04379 [1,0,0,0,0,0|1,1,1]=4 6 B10R1.17 c1ccc(cc1)NCCO AS00460 [1,0,0,0,0,0|1,0,0]=2 7 B10R1.17 c1ccc(cc1)OCCBr AS03452 [1,0,0,0,0,0|2,0,0]=3 8 B12R1.21 c1cc(ccc1CCC(=O)O)F AS04666 [0,1,0,0,0,0|1,0,1]=3 9 B12R1.21 c1cc(ccc1CCC(=O)O)O AS02950 [0,1,0,0,0,0|1,0,1]=3 10 B12R1.27 COC(=O)CCc1ccccc1 AS06125 [0,1,0,0,0,0|0,0,2]=3 11 B12R1.107 c1ccc(cc1)[C@@H](CC(=O)O)N AS06772 [0,1,0,0,0,0|1,0,1]=3 12 B12R1.125 Cc1ccccc1CCC(=O)O AS00516 [0,1,0,0,0,0|1,0,1]=3 13 B12R1.125 c1ccc(c(c1)CCC(=O)O)Br AS06127 [0,1,0,0,0,0|1,0,1]=3 14 B12R1.125 c1ccc(c(c1)CCC(=O)O)F AS02202 [0,1,0,0,0,0|1,0,1]=3 15 B12R1.125 c1ccc(c(c1)CCC(=O)O)I AS07158 [0,1,0,0,0,0|1,0,1]=3 16 B12R1.125 c1ccc(c(c1)NCC(=O)O)F AS06740 [0,1,0,0,0,0|2,0,1]=4 17 B10R1.18 CC(Cc1ccccc1)O AS07220 [0,0,0,0,1,0|0,0,0]=1 18 B12R1.252 CC(=O)OCCc1ccccc1 AS02439 [0,0,0,0,0,1|0,0,2]=3 19 B12R1.252 c1ccc(cc1)COCC(=O)O AS06202 [0,0,0,0,0,1|1,0,1]=3 20 B9R1.8 c1ccc(cc1)CC#N AS01366 [2,0,0,0,0,0|1,0,1]=4 21 B9R1.8 c1ccc(cc1)CCCl AS00650 [2,0,0,0,0,0|1,0,0]=3 22 B9R1.8 c1ccc(cc1)CCN AS00484 [2,0,0,0,0,0|1,0,0]=3 23 B9R1.8 c1ccc(cc1)CCO AS00558 [2,0,0,0,0,0|0,0,0]=2 24 B9R1.8 c1ccc(cc1)CON AS04494 [2,0,0,0,0,0|2,0,0]=4 25 B9R1.8 c1ccnc(c1)CCCl AS04932 [2,0,0,0,0,0|2,0,0]=4 26 B11R1.1 CCCCc1ccc(cc1)Cl AS02834 [1,1,0,0,0,0|0,0,0]=2 27 B11R1.1 CCCCc1ccc(cc1)I AS02288 [1,1,0,0,0,0|0,0,0]=2 28 B11R1.1 CCCCc1ccc(cc1)I AS02333 [1,1,0,0,0,0|0,0,0]=2 29 B11R1.1 COCCc1ccc(cc1)O AS00207 [1,1,0,0,0,0|1,0,0]=3 30 B11R1.1 c1cc(ccc1OCCBr)Cl AS04621 [1,1,0,0,0,0|2,0,0]=4 31 B11R1.1 c1cc(ccc1OCCBr)F AS03327 [1,1,0,0,0,0|2,0,0]=4 32 B11R1.1 c1cc(ccc1OCCO)Br AS03962 [1,1,0,0,0,0|1,0,0]=3 33 B11R1.16 c1ccc(cc1)C(=O)CCN AS05234 [1,1,0,0,0,0|1,0,1]=4 34 B11R1.17 CCCOc1ccccc1F AS00939 [1,1,0,0,0,0|1,0,0]=3 35 B11R1.24 CCCOc1cccc(c1)F AS00940 [1,1,0,0,0,0|1,0,0]=3 36 B11R1.24 c1cc(cc(c1)Br)OCCBr AS03105 [1,1,0,0,0,0|2,0,0]=4 37 B11R1.24 c1cc(cc(c1)Cl)OCCBr AS05649 [1,1,0,0,0,0|2,0,0]=4 38 B11R1.24 c1cc(cc(c1)O)CCCO AS06749 [1,1,0,0,0,0|0,0,0]=2 39 B11R1.28 CCCCOc1ccccc1 AS01104 [1,1,0,0,0,0|0,0,0]=2 40 B11R1.28 c1ccc(cc1)CCN=C=O AS04375 [1,1,0,0,0,0|0,0,2]=4 41 B11R1.28 c1ccc(cc1)CNCC#N AS06325 [1,1,0,0,0,0|1,0,1]=4 42 B11R1.28 c1ccc(cc1)OCCCBr AS03455 [1,1,0,0,0,0|1,0,0]=3 43 B11R1.20 CC(=O)Cc1ccc(cc1)F AS05241 [0,1,0,0,1,0|0,0,2]=4 44 B11R1.20 CC(C)Cc1ccc(cc1)Br AS05659 [0,1,0,0,1,0|1,0,0]=3 45 B11R1.20 CC(C)Oc1ccc(cc1)N AS05394 [0,1,0,0,1,0|2,0,0]=4 46 B11R1.20 CC(Oc1ccc(cc1)Br)Cl AS03451 [0,1,0,0,1,0|2,0,0]=4 47 B11R1.20 c1cc(ccc1CC(=O)O)Br AS00507 [0,1,0,0,1,0|1,0,1]=4 48 B11R1.20 c1cc(ccc1CC(=O)O)Cl AS05024 [0,1,0,0,1,0|1,0,1]=4 49 B11R1.20 c1cc(ccc1CC(=O)O)F AS00530 [0,1,0,0,1,0|1,0,1]=4 50 B11R1.20 c1cc(ccc1CC(=O)O)I AS00544 [0,1,0,0,1,0|1,0,1]=4 51 B11R1.36 c1ccc(cc1)[C@H](C(=O)O)O AS01425 [0,1,0,0,1,0|1,0,1]=4 52 B11R1.86 CC(=O)Cc1ccccc1Br AS05236 [0,1,0,0,1,0|0,0,2]=4 53 B11R1.86 CC(C)Oc1ccccc1Br AS03456 [0,1,0,0,1,0|2,0,0]=4 54 B11R1.86 c1ccc(c(c1)CC(=O)O)Br AS00524 [0,1,0,0,1,0|1,0,1]=4 55 B11R1.86 c1ccc(c(c1)CC(=O)O)Cl AS05022 [0,1,0,0,1,0|1,0,1]=4 56 B11R1.86 c1ccc(c(c1)CC(=O)O)F AS00497 [0,1,0,0,1,0|1,0,1]=4 57 B11R1.86 c1ccc(c(c1)CC(=O)O)I AS00532 [0,1,0,0,1,0|1,0,1]=4 58 B11R1.157 CC(=O)Cc1cccc(c1)Cl AS05237 [0,1,0,0,1,0|0,0,2]=4 59 B11R1.157 CC(C)Oc1cccc(c1)Br AS01613 [0,1,0,0,1,0|2,0,0]=4 60 B11R1.157 CC(C)Oc1cccc(c1)F AS00941 [0,1,0,0,1,0|2,0,0]=4 61 B11R1.157 Cc1cccc(c1)CC(=O)O AS00531 [0,1,0,0,1,0|1,0,1]=4 62 B11R1.157 c1cc(cc(c1)Br)CC(=O)O AS00508 [0,1,0,0,1,0|1,0,1]=4 63 B11R1.157 c1cc(cc(c1)Cl)CC(=O)O AS05023 [0,1,0,0,1,0|1,0,1]=4 64 B11R1.157 c1cc(cc(c1)F)CC(=O)O AS00520 [0,1,0,0,1,0|1,0,1]=4 65 B11R1.157 c1cc(cc(c1)I)CC(=O)O AS00542 [0,1,0,0,1,0|1,0,1]=4 66 B11R1.509 CC(C)(Cc1ccccc1)N AS01627 [0,1,0,0,1,0|1,0,0]=3 67 B13R1.3 COc1ccc(cc1)CCC(=O)O AS04665 [0,2,0,0,0,0|1,0,1]=4 68 B13R1.3 c1cc(ccc1CCC(=O)O)C=O AS06508 [0,2,0,0,0,0|1,0,1]=4 69 B13R1.14 COC(=O)CCc1ccc(cc1)O AS06130 [0,2,0,0,0,0|0,0,2]=4 70 B13R1.132 Cc1ccc(cc1)[C@@H](CC(=O)O)N AS06755 [0,2,0,0,0,0|1,0,1]=4 71 B13R1.132 Cc1ccc(cc1)[C@H](CC(=O)O)N AS06754 [0,2,0,0,0,0|1,0,1]=4 72 B13R1.132 c1cc(ccc1[C@@H](CC(=O)O)N)Br AS06709 [0,2,0,0,0,0|1,0,1]=4 73 B13R1.132 c1cc(ccc1[C@@H](CC(=O)O)N)Cl AS06721 [0,2,0,0,0,0|1,0,1]=4 74 B13R1.132 c1cc(ccc1[C@@H](CC(=O)O)N)F AS06744 [0,2,0,0,0,0|1,0,1]=4 75 B13R1.132 c1cc(ccc1[C@H](CC(=O)O)N)Cl AS06720 [0,2,0,0,0,0|1,0,1]=4 76 B13R1.133 c1cc(ccc1CC(C(=O)O)N)N AS07029 [0,2,0,0,0,0|1,0,1]=4 77 B13R1.133 c1cc(ccc1C[C@H](C(=O)O)N)Br AS06706 [0,2,0,0,0,0|1,0,1]=4 78 B13R1.15 COC(=O)CCc1cccc(c1)Br AS06128 [0,2,0,0,0,0|0,0,2]=4 79 B13R1.528 COC(=O)CCc1ccccc1Br AS06126 [0,2,0,0,0,0|0,0,2]=4 80 B13R1.147 c1cc(cc(c1)Br)[C@@H](CC(=O)O)N AS06804 [0,2,0,0,0,0|1,0,1]=4 81 B13R1.147 c1cc(cc(c1)Cl)[C@@H](CC(=O)O)N AS06724 [0,2,0,0,0,0|1,0,1]=4 82 B13R2.33 c1ccc2c(c1)CCC(=O)CC2 AS06277 [0,1,0,1,0,0|0,0,2]=4 83 B9R1.6 c1ccc(cc1)C(=O)O AS04617 [0,0,0,0,2,0|1,0,1]=4