0 B9R1.35 C1C(N=C(S1)N)C(=O)O ACT05555 [0,0,0,0,0,0|2,0,2]=4 1 B9R1.35 CC(=O)c1ccc(s1)Br ACT09817 [0,0,0,0,0,0|4,0,0]=4 2 B9R1.35 Cc1cc([nH]c1)C(=O)O ACT09177 [0,0,0,0,0,0|2,0,0]=2 3 B9R1.35 Cc1ccc(o1)C(=O)C ACT06497 [0,0,0,0,0,0|3,0,0]=3 4 B9R1.35 Cc1cnc(s1)C(=O)O ACT11263 [0,0,0,0,0,0|3,0,0]=3 5 B9R1.35 Cc1csc(n1)C(=O)O ACT11260 [0,0,0,0,0,0|3,0,0]=3 6 B9R1.35 Cn1cc(nc1)C(=O)N ACT07161 [0,0,0,0,0,0|4,0,0]=4 7 B9R1.35 c1c(nc([nH]1)C(=O)O)N ACT07266 [0,0,0,0,0,0|4,0,0]=4 8 B9R1.35 c1c(nc(s1)Br)C(=O)O ACT11286 [0,0,0,0,0,0|2,0,0]=2 9 B9R1.35 c1c(sc(n1)Br)C(=O)O ACT08284 [0,0,0,0,0,0|3,0,0]=3 10 B9R1.35 c1cc(oc1C(=O)O)Br ACT11324 [0,0,0,0,0,0|3,0,0]=3 11 B8R1.1 Cc1ccc(o1)C=O ACT06515 [1,0,0,0,0,0|2,0,0]=3 12 B8R1.1 c1c(nc(s1)Br)C=O ACT11274 [1,0,0,0,0,0|2,0,0]=3 13 B8R1.1 c1c(nc(s1)Br)CO ACT11279 [1,0,0,0,0,0|2,0,1]=4 14 B8R1.1 c1cc(oc1C=O)Br ACT11328 [1,0,0,0,0,0|3,0,0]=4 15 B8R1.1 c1cc(sc1C=O)Br ACT08163 [1,0,0,0,0,0|3,0,0]=4 16 B8R1.7 B(c1ccsc1)(O)O ACT02269 [1,0,0,0,0,0|1,0,1]=3 17 B8R1.7 C1C=C[C@H](N1)C(=O)O ACT02240 [1,0,0,0,0,0|2,0,1]=4 18 B8R1.7 C1COC=C1C(=O)O ACT10735 [1,0,0,0,0,0|0,1,2]=4 19 B8R1.7 CC(=O)c1c[nH]nc1 ACT09404 [1,0,0,0,0,0|3,0,0]=4 20 B8R1.7 CC(=O)c1ccc[nH]1 ACT06589 [1,0,0,0,0,0|3,0,0]=4 21 B8R1.7 CC(=O)c1ccco1 ACT06495 [1,0,0,0,0,0|3,0,0]=4 22 B8R1.7 CC(=O)c1cccs1 ACT06591 [1,0,0,0,0,0|3,0,0]=4 23 B8R1.7 CC(=O)n1ccnc1 ACT07679 [1,0,0,0,0,0|3,0,0]=4 24 B8R1.7 c1c(cn[nH]1)C(=O)O ACT01768 [1,0,0,0,0,0|2,0,0]=3 25 B8R1.7 c1c[nH]cc1C(=O)O ACT03128 [1,0,0,0,0,0|1,0,0]=2 26 B8R1.7 c1csc(n1)C(=O)O ACT11265 [1,0,0,0,0,0|3,0,0]=4 27 B10R1.14 COC(=O)c1cc([nH]n1)O ACT05175 [0,1,0,0,0,0|3,0,0]=4 28 B10R1.14 COC(=O)c1cc(c[nH]1)Br ACT01690 [0,1,0,0,0,0|3,0,0]=4 29 B10R1.14 COC(=O)c1ccc(o1)Br ACT11325 [0,1,0,0,0,0|3,0,0]=4 30 B10R1.14 COC(=O)c1csc(n1)Br ACT11266 [0,1,0,0,0,0|2,0,0]=3 31 B10R1.14 COC(=O)c1csc(n1)Cl ACT08946 [0,1,0,0,0,0|2,0,0]=3 32 B10R1.14 Cc1cnc(s1)C(=O)OC ACT11272 [0,1,0,0,0,0|3,0,0]=4 33 B10R1.14 Cc1csc(n1)C(=O)OC ACT11276 [0,1,0,0,0,0|3,0,0]=4 34 B10R1.59 Cc1cc(c(o1)C)C(=O)C ACT06514 [0,1,0,0,0,0|1,1,0]=3 35 B10R1.59 Cn1c(cc(n1)Cl)C(=O)O ACT09119 [0,1,0,0,0,0|3,0,0]=4 36 B10R1.13 B(c1ccc(cc1)C)(O)O ACT05291 [0,0,0,0,0,1|2,0,1]=4 37 B10R1.13 CC(=O)c1ccc(cc1)I ACT08155 [0,0,0,0,0,1|3,0,0]=4 38 B10R1.13 CC(=O)c1ccc(cc1)O ACT01160 [0,0,0,0,0,1|3,0,0]=4 39 B10R1.13 CC(=O)c1ccc(nc1)Br ACT01536 [0,0,0,0,0,1|3,0,0]=4 40 B10R1.13 Cc1ccc(cc1)[S@@](=O)N ACT09400 [0,0,0,0,0,1|3,0,0]=4 41 B10R1.13 Cc1ccc(cn1)C(=O)O ACT02455 [0,0,0,0,0,1|1,0,0]=2 42 B10R1.13 Cc1ccc(cn1)[N+](=O)[O-] ACT11356 [0,0,0,0,0,1|2,0,1]=4 43 B10R1.13 Cc1cnc(cn1)C(=O)O ACT11104 [0,0,0,0,0,1|1,0,0]=2 44 B10R1.13 Cc1ncc(cn1)C(=O)O ACT03826 [0,0,0,0,0,1|1,0,0]=2 45 B10R1.13 c1c(ncc(n1)Cl)C(=O)O ACT01751 [0,0,0,0,0,1|2,0,0]=3 46 B10R1.13 c1c(ncc(n1)O)C(=O)O ACT01744 [0,0,0,0,0,1|2,0,0]=3 47 B10R1.13 c1cc(ccc1C(=O)Cl)I ACT03270 [0,0,0,0,0,1|3,0,0]=4 48 B10R1.13 c1cc(ccc1C(=O)O)I ACT00967 [0,0,0,0,0,1|2,0,0]=3 49 B10R1.13 c1cc(ncc1Br)C(=O)O ACT11224 [0,0,0,0,0,1|2,0,0]=3 50 B10R1.13 c1cc(ncc1C(=O)Cl)Cl ACT05260 [0,0,0,0,0,1|3,0,0]=4 51 B10R1.13 c1cc(ncc1C(=O)N)Cl ACT10677 [0,0,0,0,0,1|3,0,0]=4 52 B10R1.13 c1cc(ncc1C(=O)O)Cl ACT02407 [0,0,0,0,0,1|2,0,0]=3 53 B10R1.13 c1cc(ncc1C(=O)O)F ACT02405 [0,0,0,0,0,1|2,0,0]=3 54 B10R1.13 c1cc(ncc1C(=O)O)N ACT02453 [0,0,0,0,0,1|2,0,0]=3 55 B10R1.13 c1cc(ncc1C(=O)O)O ACT04597 [0,0,0,0,0,1|2,0,0]=3 56 B10R1.13 c1cc(ncc1Cl)C(=O)O ACT11221 [0,0,0,0,0,1|2,0,0]=3 57 B10R1.13 c1cc(ncc1F)C(=O)O ACT11242 [0,0,0,0,0,1|2,0,0]=3 58 B10R1.13 c1cc(nnc1C(=O)O)Cl ACT01792 [0,0,0,0,0,1|3,0,0]=4 59 B10R1.113 B(c1cc(cnc1)C)(O)O ACT11754 [0,0,0,0,0,1|2,0,1]=4 60 B10R1.113 CC(=O)c1cc(cnc1)Br ACT09658 [0,0,0,0,0,1|3,0,0]=4 61 B10R1.113 CC(=O)c1cccc(c1)F ACT04233 [0,0,0,0,0,1|3,0,0]=4 62 B10R1.113 Cc1cc(ccn1)[N+](=O)[O-] ACT03630 [0,0,0,0,0,1|2,0,1]=4 63 B10R1.113 Cc1cccc(n1)C(=O)O ACT04484 [0,0,0,0,0,1|2,0,0]=3 64 B10R1.113 Cc1ccnc(c1)C(=O)C ACT09887 [0,0,0,0,0,1|2,0,0]=3 65 B10R1.113 c1c(cncc1Br)C(=O)O ACT02450 [0,0,0,0,0,1|2,0,0]=3 66 B10R1.113 c1c(cncc1Cl)C(=O)O ACT02444 [0,0,0,0,0,1|2,0,0]=3 67 B10R1.113 c1c(cncc1N)C(=O)O ACT02440 [0,0,0,0,0,1|2,0,0]=3 68 B10R1.113 c1c(cncc1O)C(=O)O ACT02416 [0,0,0,0,0,1|2,0,0]=3 69 B10R1.113 c1c[nH]c(=O)cc1C(=O)O ACT06893 [0,0,0,0,0,1|2,0,0]=3 70 B10R1.113 c1cc(cc(c1)I)C(=O)O ACT00798 [0,0,0,0,0,1|2,0,0]=3 71 B10R1.113 c1cc(cc(c1)O)C(=O)O ACT11902 [0,0,0,0,0,1|2,0,0]=3 72 B10R1.113 c1cc(nc(c1)Br)C(=O)O ACT01377 [0,0,0,0,0,1|3,0,0]=4 73 B10R1.113 c1cc(nc(c1)Cl)C(=O)O ACT04538 [0,0,0,0,0,1|3,0,0]=4 74 B10R1.113 c1cnc(cc1C(=O)N)N ACT06896 [0,0,0,0,0,1|3,0,0]=4 75 B10R1.113 c1cnc(cc1C(=O)O)Br ACT05488 [0,0,0,0,0,1|2,0,0]=3 76 B10R1.113 c1cnc(cc1C(=O)O)Cl ACT02429 [0,0,0,0,0,1|2,0,0]=3 77 B10R1.113 c1cnc(cc1C(=O)O)N ACT05487 [0,0,0,0,0,1|2,0,0]=3 78 B10R1.113 c1cnc(cc1Cl)C(=O)O ACT04485 [0,0,0,0,0,1|2,0,0]=3 79 B7R1.1 C#Cc1ccsc1 ACT10036 [2,0,0,0,0,0|1,0,1]=4 80 B7R1.1 CCc1ccsc1 ACT11601 [2,0,0,0,0,0|1,0,1]=4 81 B7R1.1 COc1ccsc1 ACT11613 [2,0,0,0,0,0|2,0,0]=4 82 B7R1.1 c1c(nc[nH]1)C=O ACT02030 [2,0,0,0,0,0|2,0,0]=4 83 B7R1.1 c1cc([nH]c1)C=O ACT05084 [2,0,0,0,0,0|2,0,0]=4 84 B7R1.1 c1cscc1C=O ACT02286 [2,0,0,0,0,0|0,0,0]=2 85 B7R1.1 c1cscc1CBr ACT02290 [2,0,0,0,0,0|1,0,1]=4 86 B7R1.1 c1cscc1CO ACT10114 [2,0,0,0,0,0|0,0,1]=3 87 B9R1.21 c1cc(oc1CO)C=O ACT06567 [1,1,0,0,0,0|2,0,0]=4 88 B9R1.11 COC(=O)c1cc[nH]c1 ACT01694 [1,1,0,0,0,0|1,0,0]=3 89 B9R1.11 COC(=O)c1cscn1 ACT08439 [1,1,0,0,0,0|1,0,0]=3 90 B9R1.41 Cc1cc[nH]c1C(=O)O ACT10555 [1,1,0,0,0,0|2,0,0]=4 91 B9R1.41 Cn1cncc1C(=O)O ACT08098 [1,1,0,0,0,0|2,0,0]=4 92 B11R1.3 CC(=O)c1ccc(nc1)OC ACT09232 [0,1,0,0,0,1|2,0,0]=4 93 B11R1.3 c1cc(ccc1C(=O)O)NN ACT07676 [0,1,0,0,0,1|2,0,0]=4 94 B11R1.3 c1cc(ncc1C(=O)O)C#N ACT11748 [0,1,0,0,0,1|1,0,1]=4 95 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O ACT05254 [0,1,0,0,0,1|2,0,0]=4 96 B11R1.21 Cc1cc(ccc1F)C(=O)O ACT11820 [0,1,0,0,0,1|2,0,0]=4 97 B11R1.21 c1c(cnc(c1Br)Cl)C(=O)O ACT02447 [0,1,0,0,0,1|2,0,0]=4 98 B11R1.21 c1c(cnc(c1Br)O)C(=O)O ACT02449 [0,1,0,0,0,1|2,0,0]=4 99 B11R1.21 c1c(cnc(c1Cl)Cl)C(=O)O ACT02438 [0,1,0,0,0,1|2,0,0]=4 100 B11R1.21 c1c(cnc(c1Cl)O)C(=O)O ACT02443 [0,1,0,0,0,1|2,0,0]=4 101 B11R1.21 c1cc(c(cc1C(=O)O)Cl)N ACT04896 [0,1,0,0,0,1|2,0,0]=4 102 B11R1.21 c1cc(c(cc1C(=O)O)F)O ACT11803 [0,1,0,0,0,1|2,0,0]=4 103 B11R1.21 c1cc(c(cc1C(=O)O)I)N ACT05411 [0,1,0,0,0,1|2,0,0]=4 104 B11R1.22 COC(=O)c1ccc(cc1)I ACT01140 [0,1,0,0,0,1|2,0,0]=4 105 B11R1.22 COC(=O)c1ccc(cn1)Br ACT11225 [0,1,0,0,0,1|2,0,0]=4 106 B11R1.22 COC(=O)c1ccc(cn1)Cl ACT11226 [0,1,0,0,0,1|2,0,0]=4 107 B11R1.22 COC(=O)c1ccc(nc1)N ACT11746 [0,1,0,0,0,1|2,0,0]=4 108 B11R1.22 COC(=O)c1cnc(cn1)Cl ACT01750 [0,1,0,0,0,1|2,0,0]=4 109 B11R1.22 COC(=O)c1cnc(cn1)O ACT11003 [0,1,0,0,0,1|2,0,0]=4 110 B11R1.22 Cc1ccc(cn1)C(=O)OC ACT02408 [0,1,0,0,0,1|1,0,0]=3 111 B11R1.166 Cc1cc(c(cn1)C(=O)O)O ACT02411 [0,1,0,0,0,1|1,0,0]=3 112 B11R1.166 Cc1cc(cnc1C(=O)O)Br ACT11061 [0,1,0,0,0,1|2,0,0]=4 113 B11R1.166 Cc1ccc(c(c1)Cl)C(=O)O ACT11812 [0,1,0,0,0,1|1,0,0]=3 114 B11R1.166 c1c(c(=O)[nH]c(=O)[nH]1)C(=O)O ACT06647 [0,1,0,0,0,1|2,0,0]=4 115 B11R1.166 c1c(c(=O)[nH]c(=O)[nH]1)C(=O)O ACT06647 [0,1,0,0,0,1|2,0,0]=4 116 B11R1.166 c1cc(c(cc1Br)F)C(=O)O ACT11804 [0,1,0,0,0,1|2,0,0]=4 117 B11R1.166 c1cc(c(cc1Cl)O)C(=O)O ACT12172 [0,1,0,0,0,1|2,0,0]=4 118 B11R1.166 c1cc(c(cc1F)N)C(=O)O ACT04887 [0,1,0,0,0,1|2,0,0]=4 119 B11R1.166 c1cc(c(cc1I)F)C(=O)O ACT11822 [0,1,0,0,0,1|2,0,0]=4 120 B11R1.166 c1cc(nc(c1C(=O)O)Br)Br ACT11215 [0,1,0,0,0,1|2,0,0]=4 121 B11R1.166 c1cc(nc(c1C(=O)O)Cl)Cl ACT02420 [0,1,0,0,0,1|2,0,0]=4 122 B11R1.23 COC(=O)c1cc(ccn1)Cl ACT01621 [0,1,0,0,0,1|2,0,0]=4 123 B11R1.23 COC(=O)c1cc(cnc1)O ACT06879 [0,1,0,0,0,1|2,0,0]=4 124 B11R1.23 COC(=O)c1ccnc(c1)N ACT02424 [0,1,0,0,0,1|2,0,0]=4 125 B11R1.23 c1cc(cc(c1)Cl)C(=O)OO ACT00879 [0,1,0,0,0,1|2,0,0]=4 126 B11R1.74 Cc1cc(cc(c1)Br)C(=O)O ACT11806 [0,1,0,0,0,1|1,0,0]=3 127 B11R1.74 Cc1cc(nc(c1)Cl)C(=O)O ACT11217 [0,1,0,0,0,1|1,0,0]=3 128 B11R1.74 c1c(cc(cc1Cl)Br)C(=O)O ACT07345 [0,1,0,0,0,1|2,0,0]=4 129 B11R1.74 c1c(cc(cc1N)N)C(=O)O ACT05330 [0,1,0,0,0,1|2,0,0]=4 130 B11R1.74 c1c(cc(nc1C(=O)O)Cl)Cl ACT05036 [0,1,0,0,0,1|2,0,0]=4 131 B11R1.74 c1c(cc(nc1Cl)Cl)C(=O)O ACT02421 [0,1,0,0,0,1|2,0,0]=4 132 B11R1.74 c1c(cc(nc1O)O)C(=O)O ACT11903 [0,1,0,0,0,1|2,0,0]=4 133 B11R1.159 Cc1c(cccc1F)C(=O)O ACT11807 [0,1,0,0,0,1|2,0,0]=4 134 B11R1.159 Cc1cccc(c1F)C(=O)O ACT11815 [0,1,0,0,0,1|1,0,0]=3 135 B11R1.159 Cc1cccc(c1N)C(=O)O ACT12122 [0,1,0,0,0,1|1,0,0]=3 136 B11R1.159 c1cc(c(c(c1)Br)N)C(=O)O ACT04927 [0,1,0,0,0,1|2,0,0]=4 137 B11R1.159 c1cc(c(c(c1)F)F)C(=O)O ACT11810 [0,1,0,0,0,1|2,0,0]=4 138 B11R1.159 c1cc(c(c(c1)F)N)C(=O)O ACT00442 [0,1,0,0,0,1|2,0,0]=4 139 B11R1.159 c1cc(c(c(c1)N)F)C(=O)O ACT09442 [0,1,0,0,0,1|2,0,0]=4 140 B11R1.159 c1cnc(c(c1C(=O)O)Cl)Cl ACT11231 [0,1,0,0,0,1|2,0,0]=4 141 B11R1.159 c1cnc(c(c1C(=O)O)F)F ACT11232 [0,1,0,0,0,1|2,0,0]=4 142 B11R1.167 Cc1ccc(c(c1)C(=O)O)Br ACT11818 [0,1,0,0,0,1|1,0,0]=3 143 B11R1.167 c1c(c(cnc1Cl)Cl)C(=O)O ACT05336 [0,1,0,0,0,1|2,0,0]=4 144 B11R1.167 c1c(cnc(c1C(=O)O)Cl)Br ACT04481 [0,1,0,0,0,1|2,0,0]=4 145 B11R1.167 c1c(cnc(c1C(=O)O)Cl)Cl ACT02418 [0,1,0,0,0,1|2,0,0]=4 146 B11R1.167 c1c(cnc(c1C(=O)O)O)Br ACT04508 [0,1,0,0,0,1|2,0,0]=4 147 B11R1.167 c1c(cnc(c1C(=O)O)O)Cl ACT04472 [0,1,0,0,0,1|2,0,0]=4 148 B11R1.167 c1cc(c(cc1Br)C(=O)O)I ACT12149 [0,1,0,0,0,1|2,0,0]=4 149 B11R1.167 c1cc(c(cc1F)C(=O)O)Br ACT11942 [0,1,0,0,0,1|2,0,0]=4 150 B11R1.167 c1cc(c(cc1F)C(=O)O)O ACT01103 [0,1,0,0,0,1|2,0,0]=4 151 B11R1.167 c1cc(c(cc1I)C(=O)O)Cl ACT07777 [0,1,0,0,0,1|2,0,0]=4 152 B11R1.167 c1cc(c(cc1I)C(=O)O)F ACT12020 [0,1,0,0,0,1|2,0,0]=4 153 B11R1.167 c1cc(c(cc1I)C(=O)O)N ACT00517 [0,1,0,0,0,1|2,0,0]=4 154 B11R1.167 c1cc(c(cc1O)C(=O)O)F ACT11811 [0,1,0,0,0,1|2,0,0]=4 155 B11R1.266 CC(=O)c1cccc(c1)CCl ACT00880 [0,1,0,0,0,1|2,0,0]=4 156 B11R1.266 COc1cc(ccn1)C(=O)O ACT02425 [0,1,0,0,0,1|1,0,0]=3 157 B11R1.266 COc1cccc(n1)C(=O)O ACT11350 [0,1,0,0,0,1|2,0,0]=4 158 B11R1.266 c1cc(cc(c1)NN)C(=O)O ACT03011 [0,1,0,0,0,1|2,0,0]=4 159 B11R1.266 c1cnc(cc1C(=O)O)C#N ACT11016 [0,1,0,0,0,1|1,0,1]=4 160 B11R1.15 CCOC(=O)c1csc(n1)N ACT02337 [0,2,0,0,0,0|2,0,0]=4 161 B11R1.225 Cc1cc(c(s1)C(=O)OC)N ACT10243 [0,2,0,0,0,0|2,0,0]=4 162 B9R1.6 c1cc(cnc1)C(=O)O ACT11784 [0,0,1,1,0,0|1,0,1]=4 163 B9R1.2 Cc1cccc(n1)C=O ACT01662 [1,0,0,0,0,1|2,0,0]=4 164 B9R1.2 c1c(cncc1Br)C=O ACT01654 [1,0,0,0,0,1|2,0,0]=4 165 B9R1.13 c1c[nH]cc1CC(=O)O ACT10465 [1,0,0,0,0,1|1,0,0]=3 166 B11R1.20 c1cc(ccc1CC(=O)O)F ACT00993 [0,0,0,0,0,2|2,0,0]=4 167 B11R1.20 c1cc(ncc1CC(=O)O)Cl ACT01506 [0,0,0,0,0,2|2,0,0]=4 168 B11R1.157 Cc1ccnc(c1)NC(=O)C ACT06900 [0,0,0,0,0,2|2,0,0]=4