0 B11R1.91 CC(=O)COc1ccccc1 AS05273 [0,0,0,0,0,0|2,0,0]=2 1 B11R1.91 CC(=O)OCc1ccccc1 AS01460 [0,0,0,0,0,0|2,0,0]=2 2 B11R1.91 c1ccc(cc1)C=CC(=O)O AS07055 [0,0,0,0,0,0|0,0,2]=2 3 B10R1.17 CCCOc1ccccc1 AS01111 [1,0,0,0,0,0|2,0,1]=4 4 B10R1.17 c1ccc(cc1)C#CC=O AS06906 [1,0,0,0,0,0|0,0,2]=3 5 B10R1.17 c1ccc(cc1)CCCBr AS03468 [1,0,0,0,0,0|1,0,1]=3 6 B10R1.17 c1ccc(cc1)CN=C=S AS04379 [1,0,0,0,0,0|1,1,1]=4 7 B10R1.17 c1ccc(cc1)NCCO AS00460 [1,0,0,0,0,0|1,0,1]=3 8 B10R1.17 c1ccc(cc1)OCCBr AS03452 [1,0,0,0,0,0|2,0,1]=4 9 B12R1.21 c1cc(ccc1C=CC(=O)O)Br AS03178 [0,1,0,0,0,0|0,0,2]=3 10 B12R1.21 c1cc(ccc1C=CC(=O)O)Cl AS02692 [0,1,0,0,0,0|0,0,2]=3 11 B12R1.21 c1cc(ccc1C=CC(=O)O)F AS01284 [0,1,0,0,0,0|0,0,2]=3 12 B12R1.21 c1cc(ccc1C=CC(=O)O)I AS02228 [0,1,0,0,0,0|0,0,2]=3 13 B12R1.21 c1cc(ccc1C=CC(=O)O)O AS03322 [0,1,0,0,0,0|0,0,2]=3 14 B12R1.21 c1cc(ccc1CCC(=O)O)F AS04666 [0,1,0,0,0,0|0,0,0]=1 15 B12R1.21 c1cc(ccc1CCC(=O)O)O AS02950 [0,1,0,0,0,0|0,0,0]=1 16 B12R1.27 COC(=O)CCc1ccccc1 AS06125 [0,1,0,0,0,0|0,0,0]=1 17 B12R1.107 c1ccc(cc1)[C@@H](CC(=O)O)N AS06772 [0,1,0,0,0,0|0,0,0]=1 18 B12R1.125 Cc1ccccc1C=CC(=O)O AS00517 [0,1,0,0,0,0|0,0,2]=3 19 B12R1.125 Cc1ccccc1CCC(=O)O AS00516 [0,1,0,0,0,0|0,0,0]=1 20 B12R1.125 c1ccc(c(c1)C=CC(=O)O)Br AS03176 [0,1,0,0,0,0|0,0,2]=3 21 B12R1.125 c1ccc(c(c1)C=CC(=O)O)Cl AS02690 [0,1,0,0,0,0|0,0,2]=3 22 B12R1.125 c1ccc(c(c1)C=CC(=O)O)F AS01282 [0,1,0,0,0,0|0,0,2]=3 23 B12R1.125 c1ccc(c(c1)C=CC(=O)O)I AS02226 [0,1,0,0,0,0|0,0,2]=3 24 B12R1.125 c1ccc(c(c1)CCC(=O)O)Br AS06127 [0,1,0,0,0,0|0,0,0]=1 25 B12R1.125 c1ccc(c(c1)CCC(=O)O)F AS02202 [0,1,0,0,0,0|0,0,0]=1 26 B12R1.125 c1ccc(c(c1)CCC(=O)O)I AS07158 [0,1,0,0,0,0|0,0,0]=1 27 B12R1.125 c1ccc(c(c1)NCC(=O)O)F AS06740 [0,1,0,0,0,0|1,0,0]=2 28 B12R1.226 c1cc(cc(c1)Br)C=CC(=O)O AS03177 [0,1,0,0,0,0|0,0,2]=3 29 B12R1.226 c1cc(cc(c1)Cl)C=CC(=O)O AS02691 [0,1,0,0,0,0|0,0,2]=3 30 B12R1.226 c1cc(cc(c1)F)C=CC(=O)O AS01283 [0,1,0,0,0,0|0,0,2]=3 31 B12R1.226 c1cc(cc(c1)F)C=CC(=O)O AS01921 [0,1,0,0,0,0|0,0,2]=3 32 B12R1.226 c1cc(cc(c1)I)C=CC(=O)O AS02227 [0,1,0,0,0,0|0,0,2]=3 33 B10R1.18 CC(Cc1ccccc1)O AS07220 [0,0,0,0,1,0|1,0,1]=3 34 B10R1.18 c1ccc(cc1)OC(=O)Cl AS01233 [0,0,0,0,1,0|2,0,0]=3 35 B12R1.252 CC(=O)OCCc1ccccc1 AS02439 [0,0,0,0,0,1|1,0,0]=2 36 B12R1.252 c1ccc(cc1)COCC(=O)O AS06202 [0,0,0,0,0,1|0,0,0]=1 37 B9R1.8 c1ccc(cc1)CC#N AS01366 [2,0,0,0,0,0|1,0,1]=4 38 B9R1.8 c1ccc(cc1)CCCl AS00650 [2,0,0,0,0,0|1,0,0]=3 39 B9R1.8 c1ccc(cc1)CCN AS00484 [2,0,0,0,0,0|1,0,0]=3 40 B9R1.8 c1ccc(cc1)CCO AS00558 [2,0,0,0,0,0|0,0,0]=2 41 B9R1.8 c1ccc(cc1)CON AS04494 [2,0,0,0,0,0|2,0,0]=4 42 B9R1.8 c1ccc(cc1)N=C=O AS04076 [2,0,0,0,0,0|1,0,1]=4 43 B9R1.8 c1ccnc(c1)CCCl AS04932 [2,0,0,0,0,0|2,0,0]=4 44 B11R1.1 CCCCc1ccc(cc1)Cl AS02834 [1,1,0,0,0,0|1,0,1]=4 45 B11R1.1 CCCCc1ccc(cc1)I AS02288 [1,1,0,0,0,0|1,0,1]=4 46 B11R1.1 CCCCc1ccc(cc1)I AS02333 [1,1,0,0,0,0|1,0,1]=4 47 B11R1.1 COCCc1ccc(cc1)O AS00207 [1,1,0,0,0,0|2,0,0]=4 48 B11R1.1 c1cc(ccc1CN=C=O)F AS06152 [1,1,0,0,0,0|1,0,1]=4 49 B11R1.1 c1cc(ccc1OCCO)Br AS03962 [1,1,0,0,0,0|1,0,1]=4 50 B11R1.24 c1cc(cc(c1)F)CN=C=O AS04384 [1,1,0,0,0,0|1,0,1]=4 51 B11R1.24 c1cc(cc(c1)O)CCCO AS06749 [1,1,0,0,0,0|0,0,1]=3 52 B11R1.28 CCCCOc1ccccc1 AS01104 [1,1,0,0,0,0|1,0,1]=4 53 B11R1.28 c1ccc(cc1)CCN=C=O AS04375 [1,1,0,0,0,0|0,0,1]=3 54 B11R1.28 c1ccc(cc1)CNCC#N AS06325 [1,1,0,0,0,0|1,0,1]=4 55 B11R1.28 c1ccc(cc1)OCCCBr AS03455 [1,1,0,0,0,0|1,0,1]=4 56 B11R1.20 CC(=O)Cc1ccc(cc1)F AS05241 [0,1,0,0,1,0|1,0,0]=3 57 B11R1.20 CC(=O)Nc1ccc(cc1)Br AS00912 [0,1,0,0,1,0|2,0,0]=4 58 B11R1.20 CC(=O)Nc1ccc(cc1)Cl AS02675 [0,1,0,0,1,0|2,0,0]=4 59 B11R1.20 CC(=O)Nc1ccc(cc1)F AS00825 [0,1,0,0,1,0|2,0,0]=4 60 B11R1.20 CC(=O)Nc1ccc(cc1)I AS02201 [0,1,0,0,1,0|2,0,0]=4 61 B11R1.20 CC(=O)Oc1ccc(cc1)Cl AS07036 [0,1,0,0,1,0|2,0,0]=4 62 B11R1.20 CC(=O)Oc1ccc(cc1)F AS02347 [0,1,0,0,1,0|2,0,0]=4 63 B11R1.20 Cc1ccc(cc1)NC(=O)C AS00879 [0,1,0,0,1,0|2,0,0]=4 64 B11R1.20 c1cc(ccc1CC(=O)O)Br AS00507 [0,1,0,0,1,0|0,0,0]=2 65 B11R1.20 c1cc(ccc1CC(=O)O)Cl AS05024 [0,1,0,0,1,0|0,0,0]=2 66 B11R1.20 c1cc(ccc1CC(=O)O)F AS00530 [0,1,0,0,1,0|0,0,0]=2 67 B11R1.20 c1cc(ccc1CC(=O)O)I AS00544 [0,1,0,0,1,0|0,0,0]=2 68 B11R1.20 c1cc(ccc1F)[ClH]C(=O)[O-] AS06245 [0,1,0,0,1,0|1,0,1]=4 69 B11R1.20 c1cc(ccc1[ClH]C(=O)[O-])Br AS06247 [0,1,0,0,1,0|1,0,1]=4 70 B11R1.36 c1ccc(cc1)[C@H](C(=O)O)O AS01425 [0,1,0,0,1,0|0,0,0]=2 71 B11R1.86 CC(=O)Cc1ccccc1Br AS05236 [0,1,0,0,1,0|1,0,0]=3 72 B11R1.86 CC(=O)Nc1ccccc1I AS02199 [0,1,0,0,1,0|2,0,0]=4 73 B11R1.86 CC(=O)Nc1ccccc1O AS00888 [0,1,0,0,1,0|2,0,0]=4 74 B11R1.86 CC(=O)Oc1ccccc1Br AS02339 [0,1,0,0,1,0|2,0,0]=4 75 B11R1.86 CC(=O)Oc1ccccc1F AS02345 [0,1,0,0,1,0|2,0,0]=4 76 B11R1.86 CC(=O)Oc1ccccc1I AS02979 [0,1,0,0,1,0|2,0,0]=4 77 B11R1.86 Cc1ccccc1NC(=O)C AS00877 [0,1,0,0,1,0|2,0,0]=4 78 B11R1.86 c1ccc(c(c1)CC(=O)O)Br AS00524 [0,1,0,0,1,0|0,0,0]=2 79 B11R1.86 c1ccc(c(c1)CC(=O)O)Cl AS05022 [0,1,0,0,1,0|0,0,0]=2 80 B11R1.86 c1ccc(c(c1)CC(=O)O)F AS00497 [0,1,0,0,1,0|0,0,0]=2 81 B11R1.86 c1ccc(c(c1)CC(=O)O)I AS00532 [0,1,0,0,1,0|0,0,0]=2 82 B11R1.157 CC(=O)Cc1cccc(c1)Cl AS05237 [0,1,0,0,1,0|1,0,0]=3 83 B11R1.157 CC(=O)Nc1cccc(c1)Br AS00911 [0,1,0,0,1,0|2,0,0]=4 84 B11R1.157 CC(=O)Nc1cccc(c1)Cl AS02674 [0,1,0,0,1,0|2,0,0]=4 85 B11R1.157 CC(=O)Nc1cccc(c1)F AS00824 [0,1,0,0,1,0|2,0,0]=4 86 B11R1.157 CC(=O)Nc1cccc(c1)I AS02200 [0,1,0,0,1,0|2,0,0]=4 87 B11R1.157 CC(=O)Nc1cccc(c1)O AS00889 [0,1,0,0,1,0|2,0,0]=4 88 B11R1.157 CC(=O)Oc1cccc(c1)Br AS02340 [0,1,0,0,1,0|2,0,0]=4 89 B11R1.157 CC(=O)Oc1cccc(c1)Cl AS02343 [0,1,0,0,1,0|2,0,0]=4 90 B11R1.157 CC(=O)Oc1cccc(c1)F AS02346 [0,1,0,0,1,0|2,0,0]=4 91 B11R1.157 Cc1cccc(c1)CC(=O)O AS00531 [0,1,0,0,1,0|0,0,0]=2 92 B11R1.157 Cc1cccc(c1)NC(=O)C AS00878 [0,1,0,0,1,0|2,0,0]=4 93 B11R1.157 Cc1cccc(c1)OC(=O)C AS01252 [0,1,0,0,1,0|2,0,0]=4 94 B11R1.157 c1cc(cc(c1)Br)CC(=O)O AS00508 [0,1,0,0,1,0|0,0,0]=2 95 B11R1.157 c1cc(cc(c1)Cl)CC(=O)N AS06809 [0,1,0,0,1,0|1,0,0]=3 96 B11R1.157 c1cc(cc(c1)Cl)CC(=O)O AS05023 [0,1,0,0,1,0|0,0,0]=2 97 B11R1.157 c1cc(cc(c1)F)CC(=O)O AS00520 [0,1,0,0,1,0|0,0,0]=2 98 B11R1.157 c1cc(cc(c1)I)CC(=O)O AS00542 [0,1,0,0,1,0|0,0,0]=2 99 B11R1.509 c1ccc(cc1)CS(=O)(=O)F AS03388 [0,1,0,0,1,0|1,0,1]=4 100 B13R1.3 CCc1ccc(cc1)C=CC(=O)O AS01251 [0,2,0,0,0,0|0,0,2]=4 101 B13R1.3 COc1ccc(cc1)C=CC(=O)O AS01561 [0,2,0,0,0,0|0,0,2]=4 102 B13R1.3 COc1ccc(cc1)CCC(=O)O AS04665 [0,2,0,0,0,0|0,0,0]=2 103 B13R1.3 c1cc(ccc1CCC(=O)O)C=O AS06508 [0,2,0,0,0,0|0,0,0]=2 104 B13R1.14 COC(=O)C=Cc1ccc(cc1)Cl AS06038 [0,2,0,0,0,0|0,0,2]=4 105 B13R1.14 COC(=O)CCc1ccc(cc1)O AS06130 [0,2,0,0,0,0|0,0,0]=2 106 B13R1.132 Cc1ccc(cc1)[C@@H](CC(=O)O)N AS06755 [0,2,0,0,0,0|0,0,0]=2 107 B13R1.132 Cc1ccc(cc1)[C@H](CC(=O)O)N AS06754 [0,2,0,0,0,0|0,0,0]=2 108 B13R1.132 c1cc(ccc1[C@@H](CC(=O)O)N)Br AS06709 [0,2,0,0,0,0|0,0,0]=2 109 B13R1.132 c1cc(ccc1[C@@H](CC(=O)O)N)Cl AS06721 [0,2,0,0,0,0|0,0,0]=2 110 B13R1.132 c1cc(ccc1[C@@H](CC(=O)O)N)F AS06744 [0,2,0,0,0,0|0,0,0]=2 111 B13R1.132 c1cc(ccc1[C@H](CC(=O)O)N)Cl AS06720 [0,2,0,0,0,0|0,0,0]=2 112 B13R1.133 C[C@H](C(=O)O)Oc1ccc(cc1)O AS04609 [0,2,0,0,0,0|1,0,0]=3 113 B13R1.133 c1cc(ccc1CC(C(=O)O)N)N AS07029 [0,2,0,0,0,0|0,0,0]=2 114 B13R1.133 c1cc(ccc1C[C@H](C(=O)O)N)Br AS06706 [0,2,0,0,0,0|0,0,0]=2 115 B13R1.164 Cc1cc(ccc1C=CC(=O)O)F AS01287 [0,2,0,0,0,0|0,0,2]=4 116 B13R1.164 c1cc(c(cc1Br)Cl)C=CC(=O)O AS06036 [0,2,0,0,0,0|0,0,2]=4 117 B13R1.164 c1cc(c(cc1Br)F)C=CC(=O)O AS03299 [0,2,0,0,0,0|0,0,2]=4 118 B13R1.164 c1cc(c(cc1Br)F)C=CC(=O)O AS03313 [0,2,0,0,0,0|0,0,2]=4 119 B13R1.164 c1cc(c(cc1Cl)Cl)C=CC(=O)O AS03295 [0,2,0,0,0,0|0,0,2]=4 120 B13R1.164 c1cc(c(cc1Cl)F)C=CC(=O)O AS02745 [0,2,0,0,0,0|0,0,2]=4 121 B13R1.164 c1cc(c(cc1F)Br)C=CC(=O)O AS03309 [0,2,0,0,0,0|0,0,2]=4 122 B13R1.164 c1cc(c(cc1F)Cl)C=CC(=O)O AS02743 [0,2,0,0,0,0|0,0,2]=4 123 B13R1.164 c1cc(c(cc1F)F)C=CC(=O)O AS01917 [0,2,0,0,0,0|0,0,2]=4 124 B13R1.511 c1cc(c(cc1C=CC(=O)O)Br)F AS03311 [0,2,0,0,0,0|0,0,2]=4 125 B13R1.511 c1cc(c(cc1C=CC(=O)O)Cl)F AS03296 [0,2,0,0,0,0|0,0,2]=4 126 B13R1.511 c1cc(c(cc1C=CC(=O)O)F)Cl AS02746 [0,2,0,0,0,0|0,0,2]=4 127 B13R1.511 c1cc(c(cc1C=CC(=O)O)F)F AS04464 [0,2,0,0,0,0|0,0,2]=4 128 B13R1.15 COC(=O)C=Cc1cccc(c1)Br AS06035 [0,2,0,0,0,0|0,0,2]=4 129 B13R1.15 COC(=O)CCc1cccc(c1)Br AS06128 [0,2,0,0,0,0|0,0,0]=2 130 B13R1.528 COC(=O)CCc1ccccc1Br AS06126 [0,2,0,0,0,0|0,0,0]=2 131 B13R1.147 c1cc(cc(c1)Br)[C@@H](CC(=O)O)N AS06804 [0,2,0,0,0,0|0,0,0]=2 132 B13R1.147 c1cc(cc(c1)Cl)[C@@H](CC(=O)O)N AS06724 [0,2,0,0,0,0|0,0,0]=2 133 B13R1.150 c1cc(c(c(c1)F)F)C=CC(=O)O AS01948 [0,2,0,0,0,0|0,0,2]=4 134 B13R1.893 c1cc(c(cc1Br)C=CC(=O)O)F AS03314 [0,2,0,0,0,0|0,0,2]=4 135 B13R1.893 c1cc(c(cc1F)C=CC(=O)O)Br AS03310 [0,2,0,0,0,0|0,0,2]=4 136 B13R1.893 c1cc(c(cc1F)C=CC(=O)O)F AS01918 [0,2,0,0,0,0|0,0,2]=4 137 B13R1.3787 c1cc(c(c(c1)Cl)C=CC(=O)O)F AS02744 [0,2,0,0,0,0|0,0,2]=4 138 B13R1.3787 c1cc(c(c(c1)F)C=CC(=O)O)F AS01919 [0,2,0,0,0,0|0,0,2]=4 139 B13R1.3787 c1cc(c(c(c1)F)C=CC(=O)O)F AS03300 [0,2,0,0,0,0|0,0,2]=4 140 B13R1.3420 c1c(cc(cc1Br)Br)C=CC(=O)O AS03527 [0,2,0,0,0,0|0,0,2]=4 141 B13R1.3420 c1c(cc(cc1F)Br)C=CC(=O)O AS03312 [0,2,0,0,0,0|0,0,2]=4 142 B13R1.3420 c1c(cc(cc1F)F)C=CC(=O)O AS01920 [0,2,0,0,0,0|0,0,2]=4 143 B11R2.1 c1ccc2c(c1)c(no2)O AS06287 [1,0,0,1,0,0|2,0,0]=4 144 B13R2.72 c1ccc2c(c1)c(c[nH]2)C(=O)O AS06042 [0,0,0,1,0,1|0,0,2]=4 145 B13R2.72 c1ccc2c(c1)c(cs2)C(=O)O AS06612 [0,0,0,1,0,1|0,0,2]=4 146 B13R2.155 c1cc2c(cc1Br)NC(=O)CO2 AS06318 [0,1,0,1,0,0|2,0,0]=4 147 B13R2.155 c1cc2c(cc1Cl)NC(=O)CO2 AS06308 [0,1,0,1,0,0|2,0,0]=4 148 B13R2.155 c1cc2c(cc1O)NC(=O)CO2 AS06389 [0,1,0,1,0,0|2,0,0]=4 149 B13R2.33 c1ccc2c(c1)CCC(=O)CC2 AS06277 [0,1,0,1,0,0|1,0,0]=3 150 B13R2.5179 c1cc2c(c(c1)O)OCC(=O)N2 AS06393 [0,1,0,1,0,0|2,0,0]=4 151 B13R2.162 c1cc2c(c(c1)F)NC(=O)CO2 AS06288 [0,1,0,1,0,0|2,0,0]=4 152 B13R2.3683 c1cc2c(cc1Br)OCC(=O)N2 AS06276 [0,1,0,1,0,0|2,0,0]=4 153 B13R2.3683 c1cc2c(cc1F)OCC(=O)N2 AS06337 [0,1,0,1,0,0|2,0,0]=4 154 B13R2.3683 c1cc2c(cc1O)OCC(=O)N2 AS06333 [0,1,0,1,0,0|2,0,0]=4 155 B9R1.6 c1ccc(cc1)C(=O)Cl AS00010 [0,0,0,0,2,0|1,0,0]=3 156 B9R1.6 c1ccc(cc1)C(=O)O AS04617 [0,0,0,0,2,0|0,0,0]=2 157 B9R1.6 c1ccc(cc1)C(=O)[O-] AS01250 [0,0,0,0,2,0|0,0,1]=3 158 B9R1.6 c1ccc(cc1)[N+](=O)[O-] AS01461 [0,0,0,0,2,0|1,0,1]=4