0 B12R1.27 COC(=O)CCc1ccccc1 AS06125 [0,0,0,0,0,0|0,0,2]=2 1 B11R1.91 CC(=O)COc1ccccc1 AS05273 [1,0,0,0,0,0|1,0,1]=3 2 B11R1.91 CC(=O)OCc1ccccc1 AS01460 [1,0,0,0,0,0|1,0,1]=3 3 B11R1.91 c1ccc(cc1)C=CC(=O)O AS07055 [1,0,0,0,0,0|0,0,0]=1 4 B13R1.14 COC(=O)C=Cc1ccc(cc1)Cl AS06038 [0,1,0,0,0,0|0,0,0]=1 5 B13R1.14 COC(=O)CCc1ccc(cc1)O AS06130 [0,1,0,0,0,0|0,0,2]=3 6 B13R1.15 COC(=O)C=Cc1cccc(c1)Br AS06035 [0,1,0,0,0,0|0,0,0]=1 7 B13R1.15 COC(=O)CCc1cccc(c1)Br AS06128 [0,1,0,0,0,0|0,0,2]=3 8 B13R1.528 COC(=O)CCc1ccccc1Br AS06126 [0,1,0,0,0,0|0,0,2]=3 9 B13R2.33 c1ccc2c(c1)CCC(=O)CC2 AS06277 [0,0,0,1,0,0|1,0,2]=4 10 B13R2.57 c1ccc2cc(ccc2c1)CCl AS06207 [0,0,0,1,0,0|3,0,0]=4 11 B11R1.40 c1ccc(cc1)NC(=O)CBr AS00910 [0,0,0,0,1,0|3,0,0]=4 12 B11R1.40 c1ccc(cc1)NC(=O)CCl AS02673 [0,0,0,0,1,0|3,0,0]=4 13 B11R1.40 c1ccc(cc1)NC(=O)CF AS00823 [0,0,0,0,1,0|3,0,0]=4 14 B10R1.17 c1ccc(cc1)C#CC=O AS06906 [2,0,0,0,0,0|0,0,2]=4 15 B12R1.21 c1cc(ccc1C=CC(=O)O)Br AS03178 [1,1,0,0,0,0|0,0,0]=2 16 B12R1.21 c1cc(ccc1C=CC(=O)O)Cl AS02692 [1,1,0,0,0,0|0,0,0]=2 17 B12R1.21 c1cc(ccc1C=CC(=O)O)F AS01284 [1,1,0,0,0,0|0,0,0]=2 18 B12R1.21 c1cc(ccc1C=CC(=O)O)I AS02228 [1,1,0,0,0,0|0,0,0]=2 19 B12R1.21 c1cc(ccc1C=CC(=O)O)O AS03322 [1,1,0,0,0,0|0,0,0]=2 20 B12R1.21 c1cc(ccc1CCC(=O)O)F AS04666 [1,1,0,0,0,0|0,0,2]=4 21 B12R1.21 c1cc(ccc1CCC(=O)O)O AS02950 [1,1,0,0,0,0|0,0,2]=4 22 B12R1.43 CC(=Cc1ccccc1)[N+](=O)[O-] AS06241 [1,1,0,0,0,0|1,0,1]=4 23 B12R1.107 c1ccc(cc1)[C@@H](CC(=O)O)N AS06772 [1,1,0,0,0,0|0,0,2]=4 24 B12R1.125 Cc1ccccc1C=CC(=O)O AS00517 [1,1,0,0,0,0|0,0,0]=2 25 B12R1.125 Cc1ccccc1CCC(=O)O AS00516 [1,1,0,0,0,0|0,0,2]=4 26 B12R1.125 c1ccc(c(c1)C=CC(=O)O)Br AS03176 [1,1,0,0,0,0|0,0,0]=2 27 B12R1.125 c1ccc(c(c1)C=CC(=O)O)Cl AS02690 [1,1,0,0,0,0|0,0,0]=2 28 B12R1.125 c1ccc(c(c1)C=CC(=O)O)F AS01282 [1,1,0,0,0,0|0,0,0]=2 29 B12R1.125 c1ccc(c(c1)C=CC(=O)O)I AS02226 [1,1,0,0,0,0|0,0,0]=2 30 B12R1.125 c1ccc(c(c1)CCC(=O)O)Br AS06127 [1,1,0,0,0,0|0,0,2]=4 31 B12R1.125 c1ccc(c(c1)CCC(=O)O)F AS02202 [1,1,0,0,0,0|0,0,2]=4 32 B12R1.125 c1ccc(c(c1)CCC(=O)O)I AS07158 [1,1,0,0,0,0|0,0,2]=4 33 B12R1.125 c1ccc(c(c1)NCC(=O)O)F AS06740 [1,1,0,0,0,0|1,0,1]=4 34 B12R1.226 c1cc(cc(c1)Br)C=CC(=O)O AS03177 [1,1,0,0,0,0|0,0,0]=2 35 B12R1.226 c1cc(cc(c1)Cl)C=CC(=O)O AS02691 [1,1,0,0,0,0|0,0,0]=2 36 B12R1.226 c1cc(cc(c1)F)C=CC(=O)O AS01283 [1,1,0,0,0,0|0,0,0]=2 37 B12R1.226 c1cc(cc(c1)F)C=CC(=O)O AS01921 [1,1,0,0,0,0|0,0,0]=2 38 B12R1.226 c1cc(cc(c1)I)C=CC(=O)O AS02227 [1,1,0,0,0,0|0,0,0]=2 39 B12R1.49 COC(=O)Cc1ccc(cc1)O AS06110 [0,1,0,0,1,0|0,0,1]=3 40 B12R1.50 COC(=O)Cc1cccc(c1)F AS06105 [0,1,0,0,1,0|0,0,1]=3 41 B12R1.50 COC(=O)Cc1cccc(c1)N AS04587 [0,1,0,0,1,0|0,0,1]=3 42 B12R1.50 COC(=O)Cc1cccc(c1)N AS06071 [0,1,0,0,1,0|0,0,1]=3 43 B14R1.10 COC(=O)CC(=O)c1ccc(cc1)Cl AS06135 [0,2,0,0,0,0|0,0,1]=3 44 B14R1.10 COC(=O)CC(=O)c1ccc(cc1)F AS06137 [0,2,0,0,0,0|0,0,1]=3 45 B14R1.587 COC(=O)CC(=O)c1ccccc1Cl AS06134 [0,2,0,0,0,0|0,0,1]=3 46 B14R1.502 CCOC(=O)C#Cc1ccc(cc1)Cl AS04602 [0,2,0,0,0,0|0,0,2]=4 47 B14R1.502 CCOC(=O)C=Cc1ccc(cc1)Cl AS06037 [0,2,0,0,0,0|0,0,0]=2 48 B14R1.502 CCOC(=O)CCc1ccc(cc1)N AS06522 [0,2,0,0,0,0|0,0,2]=4 49 B12R1.77 COC(=O)c1ccccc1CBr AS00092 [0,0,1,1,0,0|1,0,1]=4 50 B12R1.354 COC(=O)c1cc(ccc1Br)Br AS03645 [0,0,1,1,0,0|2,0,0]=4 51 B12R1.354 COC(=O)c1cc(ccc1Br)Cl AS03618 [0,0,1,1,0,0|2,0,0]=4 52 B12R1.354 COC(=O)c1cc(ccc1Br)F AS03629 [0,0,1,1,0,0|2,0,0]=4 53 B12R1.354 COC(=O)c1cc(ccc1Br)I AS03633 [0,0,1,1,0,0|2,0,0]=4 54 B12R1.354 COC(=O)c1cc(ccc1Br)N AS03683 [0,0,1,1,0,0|2,0,0]=4 55 B12R1.354 COC(=O)c1cc(ccc1Cl)Br AS03621 [0,0,1,1,0,0|2,0,0]=4 56 B12R1.354 COC(=O)c1cc(ccc1Cl)Cl AS02940 [0,0,1,1,0,0|2,0,0]=4 57 B12R1.354 COC(=O)c1cc(ccc1Cl)I AS02928 [0,0,1,1,0,0|2,0,0]=4 58 B12R1.354 COC(=O)c1cc(ccc1I)Br AS01244 [0,0,1,1,0,0|2,0,0]=4 59 B12R1.354 COC(=O)c1cc(ccc1I)Cl AS02931 [0,0,1,1,0,0|2,0,0]=4 60 B12R1.354 COC(=O)c1cc(ccc1N)Br AS03610 [0,0,1,1,0,0|2,0,0]=4 61 B12R1.354 COC(=O)c1cc(ccc1N)Cl AS02913 [0,0,1,1,0,0|2,0,0]=4 62 B12R1.354 COC(=O)c1cc(ccc1N)F AS01625 [0,0,1,1,0,0|2,0,0]=4 63 B12R1.354 COC(=O)c1cc(ccc1N)I AS02298 [0,0,1,1,0,0|2,0,0]=4 64 B12R1.354 COC(=O)c1cc(ccc1O)Br AS03674 [0,0,1,1,0,0|2,0,0]=4 65 B12R1.354 COC(=O)c1cc(ccc1O)Cl AS02955 [0,0,1,1,0,0|2,0,0]=4 66 B12R1.354 COC(=O)c1cc(ccc1O)F AS00902 [0,0,1,1,0,0|2,0,0]=4 67 B12R1.354 COC(=O)c1cc(ccc1O)I AS02315 [0,0,1,1,0,0|2,0,0]=4 68 B12R1.354 COC(=O)c1cc(ccc1O)O AS01309 [0,0,1,1,0,0|2,0,0]=4 69 B12R1.354 Cc1ccc(c(c1)C(=O)OC)Br AS03640 [0,0,1,1,0,0|1,0,1]=4 70 B12R1.354 Cc1ccc(c(c1)C(=O)OC)Cl AS02935 [0,0,1,1,0,0|1,0,1]=4 71 B12R1.354 Cc1ccc(c(c1)C(=O)OC)I AS02323 [0,0,1,1,0,0|1,0,1]=4 72 B12R1.354 Cc1ccc(cc1C(=O)OC)Br AS04501 [0,0,1,1,0,0|1,0,1]=4 73 B12R1.435 COC(=O)c1cccc(c1)C#N AS02421 [0,0,1,1,0,0|1,0,1]=4 74 B12R1.435 COC(=O)c1cccc(c1)CBr AS01238 [0,0,1,1,0,0|1,0,1]=4 75 B12R1.435 COC(=O)c1cccc(c1)SCl AS06136 [0,0,1,1,0,0|2,0,0]=4 76 B12R2.2 c1ccc(cc1)c2cocn2 AS06794 [1,0,0,1,0,0|1,0,1]=4 77 B12R2.1081 c1ccc2c(c1)cccc2Cl AS02472 [1,0,0,1,0,0|2,0,0]=4 78 B12R2.1081 c1ccc2c(c1)cccc2F AS02917 [1,0,0,1,0,0|2,0,0]=4 79 B12R2.1081 c1ccc2c(c1)cccc2I AS06208 [1,0,0,1,0,0|2,0,0]=4 80 B12R2.1081 c1ccc2c(c1)cccc2N AS02473 [1,0,0,1,0,0|2,0,0]=4 81 B12R2.24 c1ccc2cc(ccc2c1)Br AS02431 [1,0,0,1,0,0|1,0,1]=4 82 B14R2.972 COC(=O)C1Cc2ccccc2N1 AS01331 [0,1,0,1,0,0|0,0,2]=4 83 B14R2.972 COC(=O)c1nc2ccccc2o1 AS06597 [0,1,0,1,0,0|1,0,0]=3 84 B14R2.781 CC(=O)c1ccc2ccccc2c1 AS01574 [0,1,0,1,0,0|2,0,0]=4 85 B10R1.18 c1ccc(cc1)OC(=O)Cl AS01233 [1,0,0,0,1,0|2,0,0]=4 86 B10R1.15 C=CC(=O)c1ccccc1 AS07048 [0,0,0,0,2,0|1,0,1]=4 87 B10R1.15 CCC(=O)c1ccccc1 AS01141 [0,0,0,0,2,0|1,0,0]=3 88 B10R1.15 c1ccc(cc1)C(=O)C#N AS04664 [0,0,0,0,2,0|2,0,0]=4 89 B10R1.15 c1ccc(cc1)C(=O)CBr AS01145 [0,0,0,0,2,0|2,0,0]=4 90 B10R1.15 c1ccc(cc1)C(=O)CCl AS01163 [0,0,0,0,2,0|2,0,0]=4 91 B10R1.15 c1ccc(cc1)C(=O)NN AS01560 [0,0,0,0,2,0|2,0,0]=4