0 B8R1.7 B(c1ccco1)(O)O ACT08404 [0,0,0,0,0,0|2,0,1]=3 1 B8R1.7 B(c1cccs1)(O)O ACT02304 [0,0,0,0,0,0|2,1,1]=4 2 B8R1.7 C1C=C[C@H](N1)C(=O)O ACT02240 [0,0,0,0,0,0|2,0,2]=4 3 B8R1.7 C1COC=C1C(=O)O ACT10735 [0,0,0,0,0,0|3,0,1]=4 4 B8R1.7 CC(=O)c1c[nH]nc1 ACT09404 [0,0,0,0,0,0|3,0,0]=3 5 B8R1.7 CC(=O)c1ccc[nH]1 ACT06589 [0,0,0,0,0,0|1,0,0]=1 6 B8R1.7 CC(=O)c1ccco1 ACT06495 [0,0,0,0,0,0|0,0,0]=0 7 B8R1.7 CC(=O)c1cccs1 ACT06591 [0,0,0,0,0,0|0,1,0]=1 8 B8R1.7 CC(=O)c1cnns1 ACT08408 [0,0,0,0,0,0|2,1,0]=3 9 B8R1.7 CC(=O)n1ccnc1 ACT07679 [0,0,0,0,0,0|3,0,0]=3 10 B8R1.7 c1c(cn[nH]1)C(=O)O ACT01768 [0,0,0,0,0,0|4,0,0]=4 11 B8R1.7 c1c[nH]cc1C(=O)O ACT03128 [0,0,0,0,0,0|3,0,0]=3 12 B8R1.7 c1csc(n1)C(=O)O ACT11265 [0,0,0,0,0,0|2,1,0]=3 13 B7R1.1 C#Cc1cccs1 ACT09722 [1,0,0,0,0,0|0,1,2]=4 14 B7R1.1 CCc1ccco1 ACT06582 [1,0,0,0,0,0|0,0,1]=2 15 B7R1.1 CCc1ccsc1 ACT11601 [1,0,0,0,0,0|2,0,1]=4 16 B7R1.1 COc1cccs1 ACT11607 [1,0,0,0,0,0|1,1,0]=3 17 B7R1.1 COc1ccsc1 ACT11613 [1,0,0,0,0,0|3,0,0]=4 18 B7R1.1 c1c(nc[nH]1)C=O ACT02030 [1,0,0,0,0,0|2,0,0]=3 19 B7R1.1 c1cc([nH]c1)C=O ACT05084 [1,0,0,0,0,0|1,0,0]=2 20 B7R1.1 c1cc(oc1)CO ACT06575 [1,0,0,0,0,0|0,0,2]=3 21 B7R1.1 c1cc(oc1)CS ACT06272 [1,0,0,0,0,0|0,1,1]=3 22 B7R1.1 c1cscc1C=O ACT02286 [1,0,0,0,0,0|2,0,0]=3 23 B9R1.11 COC(=O)c1cc[nH]c1 ACT01694 [0,1,0,0,0,0|2,0,0]=3 24 B9R1.11 COC(=O)c1cscn1 ACT08439 [0,1,0,0,0,0|2,0,0]=3 25 B9R1.11 COC(=O)c1nccs1 ACT11267 [0,1,0,0,0,0|1,1,0]=3 26 B9R1.19 c1cc(sc1)S(=O)(=O)Cl ACT02280 [0,1,0,0,0,0|2,1,0]=4 27 B9R1.19 c1cc(sc1)S(=O)(=O)N ACT04494 [0,1,0,0,0,0|2,1,0]=4 28 B9R1.35 CC(=O)c1ccc(s1)Br ACT09817 [0,1,0,0,0,0|0,1,0]=2 29 B9R1.35 Cc1cc([nH]c1)C(=O)O ACT09177 [0,1,0,0,0,0|2,0,0]=3 30 B9R1.35 Cc1ccc(o1)C(=O)C ACT06497 [0,1,0,0,0,0|0,0,0]=1 31 B9R1.35 Cc1cnc(s1)C(=O)O ACT11263 [0,1,0,0,0,0|2,1,0]=4 32 B9R1.35 Cc1csc(n1)C(=O)O ACT11260 [0,1,0,0,0,0|2,1,0]=4 33 B9R1.35 Cn1cc(nc1)C(=O)N ACT07161 [0,1,0,0,0,0|3,0,0]=4 34 B9R1.35 c1c(nc([nH]1)C(=O)O)N ACT07266 [0,1,0,0,0,0|3,0,0]=4 35 B9R1.35 c1c(nc(s1)Br)C(=O)O ACT11286 [0,1,0,0,0,0|3,0,0]=4 36 B9R1.35 c1c(sc(n1)Br)C(=O)O ACT08284 [0,1,0,0,0,0|2,1,0]=4 37 B9R1.35 c1cc(oc1C(=O)O)Br ACT11324 [0,1,0,0,0,0|1,0,0]=2 38 B9R1.41 Cc1cc[nH]c1C(=O)O ACT10555 [0,1,0,0,0,0|2,0,0]=3 39 B9R1.41 Cn1ccnc1C(=O)O ACT07511 [0,1,0,0,0,0|3,0,0]=4 40 B9R1.41 Cn1cncc1C(=O)O ACT08098 [0,1,0,0,0,0|3,0,0]=4 41 B9R1.41 c1[nH]c(c(n1)C(=O)N)N ACT02020 [0,1,0,0,0,0|3,0,0]=4 42 B9R1.41 c1[nH]c(c(n1)C(=O)N)O ACT08382 [0,1,0,0,0,0|3,0,0]=4 43 B9R1.6 CC(=O)c1ccccn1 ACT06583 [0,0,0,0,0,1|1,0,0]=2 44 B9R1.6 CC(=O)c1cccnc1 ACT09581 [0,0,0,0,0,1|1,0,0]=2 45 B9R1.6 CC(=O)c1cnccn1 ACT06619 [0,0,0,0,0,1|1,0,0]=2 46 B9R1.6 CC(=O)c1ncccn1 ACT09814 [0,0,0,0,0,1|1,0,0]=2 47 B9R1.6 CN(C)c1ccncc1 ACT01613 [0,0,0,0,0,1|3,0,0]=4 48 B9R1.6 C[C@@H](c1ccccn1)N ACT09467 [0,0,0,0,0,1|2,0,1]=4 49 B9R1.6 C[C@H](c1ccccc1)N ACT09657 [0,0,0,0,0,1|2,0,1]=4 50 B9R1.6 c1cc(cnc1)C(=N)N ACT04510 [0,0,0,0,0,1|3,0,0]=4 51 B9R1.6 c1cc(cnc1)C(=N)N ACT08665 [0,0,0,0,0,1|3,0,0]=4 52 B9R1.6 c1cc(cnc1)C(=O)O ACT11784 [0,0,0,0,0,1|2,0,0]=3 53 B9R1.6 c1cc(cnc1)C(=S)N ACT05846 [0,0,0,0,0,1|2,1,0]=4 54 B9R1.6 c1ccnc(c1)C(=O)N ACT05877 [0,0,0,0,0,1|2,0,0]=3 55 B9R1.6 c1ccnc(c1)C(=O)O ACT11782 [0,0,0,0,0,1|2,0,0]=3 56 B9R1.6 c1ccnc(c1)C(=S)N ACT05860 [0,0,0,0,0,1|2,1,0]=4 57 B9R1.6 c1cnc(cn1)C(=O)O ACT01760 [0,0,0,0,0,1|2,0,0]=3 58 B9R1.6 c1cnccc1C(=N)N ACT08666 [0,0,0,0,0,1|3,0,0]=4 59 B9R1.6 c1cnccc1C(=O)O ACT11785 [0,0,0,0,0,1|2,0,0]=3 60 B9R1.6 c1cnccc1C(=S)N ACT05856 [0,0,0,0,0,1|2,1,0]=4 61 B9R1.13 c1c[nH]cc1CC(=O)O ACT10465 [0,0,0,0,0,1|3,0,0]=4 62 B6R1.2 Cc1cc[nH]c1 ACT05027 [2,0,0,0,0,0|2,0,0]=4 63 B6R1.2 Cc1cc[nH]n1 ACT05681 [2,0,0,0,0,0|2,0,0]=4 64 B6R1.2 Cc1cc[nH]n1 ACT05681 [2,0,0,0,0,0|2,0,0]=4 65 B6R1.2 c1cc(oc1)Br ACT11323 [2,0,0,0,0,0|1,0,0]=3 66 B6R1.2 c1cc(sc1)S ACT06594 [2,0,0,0,0,0|0,2,0]=4 67 B8R1.1 Cc1ccc(o1)C=O ACT06515 [1,1,0,0,0,0|0,0,0]=2 68 B8R1.1 c1c(nc(s1)Br)C=O ACT11274 [1,1,0,0,0,0|2,0,0]=4 69 B8R1.1 c1cc(oc1C=O)Br ACT11328 [1,1,0,0,0,0|0,0,0]=2 70 B8R1.1 c1cc(sc1C=O)Br ACT08163 [1,1,0,0,0,0|0,1,0]=3 71 B8R1.8 CSCc1ccco1 ACT06193 [1,1,0,0,0,0|0,0,1]=3 72 B8R1.8 c1cc(sc1)\C=N\O ACT09500 [1,1,0,0,0,0|0,1,1]=4 73 B10R1.13 CC(=O)c1ccc(cc1)I ACT08155 [0,1,0,0,0,1|1,0,0]=3 74 B10R1.13 CC(=O)c1ccc(cc1)O ACT01160 [0,1,0,0,0,1|1,0,0]=3 75 B10R1.13 CC(=O)c1ccc(nc1)Br ACT01536 [0,1,0,0,0,1|1,0,0]=3 76 B10R1.13 Cc1ccc(cn1)C(=O)O ACT02455 [0,1,0,0,0,1|2,0,0]=4 77 B10R1.13 Cc1cnc(cn1)C(=O)O ACT11104 [0,1,0,0,0,1|2,0,0]=4 78 B10R1.13 c1c(ncc(n1)Cl)C(=O)O ACT01751 [0,1,0,0,0,1|2,0,0]=4 79 B10R1.13 c1c(ncc(n1)O)C(=O)O ACT01744 [0,1,0,0,0,1|2,0,0]=4 80 B10R1.13 c1cc(ccc1C(=O)Cl)I ACT03270 [0,1,0,0,0,1|2,0,0]=4 81 B10R1.13 c1cc(ccc1C(=O)O)I ACT00967 [0,1,0,0,0,1|2,0,0]=4 82 B10R1.13 c1cc(ncc1Br)C(=O)O ACT11224 [0,1,0,0,0,1|2,0,0]=4 83 B10R1.13 c1cc(ncc1C(=O)Cl)Cl ACT05260 [0,1,0,0,0,1|2,0,0]=4 84 B10R1.13 c1cc(ncc1C(=O)N)Cl ACT10677 [0,1,0,0,0,1|2,0,0]=4 85 B10R1.13 c1cc(ncc1C(=O)O)Cl ACT02407 [0,1,0,0,0,1|2,0,0]=4 86 B10R1.13 c1cc(ncc1C(=O)O)F ACT02405 [0,1,0,0,0,1|2,0,0]=4 87 B10R1.13 c1cc(ncc1C(=O)O)N ACT02453 [0,1,0,0,0,1|2,0,0]=4 88 B10R1.13 c1cc(ncc1C(=O)O)O ACT04597 [0,1,0,0,0,1|2,0,0]=4 89 B10R1.13 c1cc(ncc1Cl)C(=O)O ACT11221 [0,1,0,0,0,1|2,0,0]=4 90 B10R1.13 c1cc(ncc1F)C(=O)O ACT11242 [0,1,0,0,0,1|2,0,0]=4 91 B10R1.13 c1cc(nnc1C(=O)O)Cl ACT01792 [0,1,0,0,0,1|2,0,0]=4 92 B10R1.15 COC(=O)c1ccccn1 ACT11786 [0,1,0,0,0,1|1,0,0]=3 93 B10R1.15 COC(=O)c1cccnc1 ACT11790 [0,1,0,0,0,1|1,0,0]=3 94 B10R1.15 COC(=O)c1ccncc1 ACT11792 [0,1,0,0,0,1|1,0,0]=3 95 B10R1.61 CC(=O)c1ccccc1Cl ACT06884 [0,1,0,0,0,1|1,0,0]=3 96 B10R1.61 CC(=O)c1ccccc1F ACT10960 [0,1,0,0,0,1|1,0,0]=3 97 B10R1.61 CC(=O)c1ccccc1N ACT05476 [0,1,0,0,0,1|1,0,0]=3 98 B10R1.61 CC(=O)c1ccccc1O ACT05307 [0,1,0,0,0,1|1,0,0]=3 99 B10R1.61 CC(=O)c1cccnc1Cl ACT09849 [0,1,0,0,0,1|1,0,0]=3 100 B10R1.61 Cc1c(cccn1)C(=O)O ACT02414 [0,1,0,0,0,1|2,0,0]=4 101 B10R1.61 Cc1ccccc1C(=O)C ACT07828 [0,1,0,0,0,1|1,0,0]=3 102 B10R1.61 c1cc(c(nc1)Br)C(=O)O ACT02431 [0,1,0,0,0,1|2,0,0]=4 103 B10R1.61 c1cc(c(nc1)C(=O)O)Cl ACT01564 [0,1,0,0,0,1|2,0,0]=4 104 B10R1.61 c1cc(c(nc1)C(=O)O)N ACT11742 [0,1,0,0,0,1|2,0,0]=4 105 B10R1.61 c1cc(c(nc1)Cl)C(=O)O ACT11057 [0,1,0,0,0,1|2,0,0]=4 106 B10R1.61 c1cc(c(nc1)F)C(=O)O ACT05346 [0,1,0,0,0,1|2,0,0]=4 107 B10R1.61 c1cc(c(nc1)N)C(=O)O ACT02423 [0,1,0,0,0,1|2,0,0]=4 108 B10R1.61 c1cc(c(nc1)O)C(=O)O ACT06968 [0,1,0,0,0,1|2,0,0]=4 109 B10R1.61 c1cc(c(nc1)S)C(=O)O ACT06873 [0,1,0,0,0,1|2,0,0]=4 110 B10R1.61 c1ccc(c(c1)C(=O)Cl)Br ACT05471 [0,1,0,0,0,1|2,0,0]=4 111 B10R1.61 c1ccc(c(c1)C(=O)O)I ACT05424 [0,1,0,0,0,1|2,0,0]=4 112 B10R1.61 c1cnc(c(n1)C(=O)O)N ACT01758 [0,1,0,0,0,1|2,0,0]=4 113 B10R1.61 c1cncc(c1C(=O)O)Cl ACT08980 [0,1,0,0,0,1|2,0,0]=4 114 B10R1.61 c1cncc(c1C(=O)O)F ACT11218 [0,1,0,0,0,1|2,0,0]=4 115 B10R1.61 c1cncc(c1C(=O)O)N ACT04453 [0,1,0,0,0,1|2,0,0]=4 116 B10R1.61 c1cncc(c1C(=O)O)N ACT11233 [0,1,0,0,0,1|2,0,0]=4 117 B10R1.61 c1cncc(c1C(=O)O)O ACT01569 [0,1,0,0,0,1|2,0,0]=4 118 B10R1.61 c1cncc(c1Cl)C(=O)O ACT02401 [0,1,0,0,0,1|2,0,0]=4 119 B10R1.61 c1cncc(c1N)C(=O)O ACT02435 [0,1,0,0,0,1|2,0,0]=4 120 B10R1.61 c1cncc(c1O)C(=O)O ACT07024 [0,1,0,0,0,1|2,0,0]=4 121 B10R1.113 CC(=O)c1cc(cnc1)Br ACT09658 [0,1,0,0,0,1|1,0,0]=3 122 B10R1.113 CC(=O)c1cccc(c1)F ACT04233 [0,1,0,0,0,1|1,0,0]=3 123 B10R1.113 CC(=O)c1cccc(n1)Br ACT09764 [0,1,0,0,0,1|1,0,0]=3 124 B10R1.113 Cc1cccc(n1)C(=O)O ACT04484 [0,1,0,0,0,1|2,0,0]=4 125 B10R1.113 Cc1ccnc(c1)C(=O)C ACT09887 [0,1,0,0,0,1|1,0,0]=3 126 B10R1.113 c1c(cncc1Br)C(=O)O ACT02450 [0,1,0,0,0,1|2,0,0]=4 127 B10R1.113 c1c(cncc1Cl)C(=O)O ACT02444 [0,1,0,0,0,1|2,0,0]=4 128 B10R1.113 c1c(cncc1N)C(=O)O ACT02440 [0,1,0,0,0,1|2,0,0]=4 129 B10R1.113 c1c(cncc1O)C(=O)O ACT02416 [0,1,0,0,0,1|2,0,0]=4 130 B10R1.113 c1c[nH]c(=O)cc1C(=O)O ACT06893 [0,1,0,0,0,1|2,0,0]=4 131 B10R1.113 c1cc(cc(c1)I)C(=O)O ACT00798 [0,1,0,0,0,1|2,0,0]=4 132 B10R1.113 c1cc(cc(c1)O)C(=O)O ACT11902 [0,1,0,0,0,1|2,0,0]=4 133 B10R1.113 c1cc(nc(c1)Br)C(=O)O ACT01377 [0,1,0,0,0,1|2,0,0]=4 134 B10R1.113 c1cc(nc(c1)Cl)C(=O)O ACT04538 [0,1,0,0,0,1|2,0,0]=4 135 B10R1.113 c1cnc(cc1C(=O)N)N ACT06896 [0,1,0,0,0,1|2,0,0]=4 136 B10R1.113 c1cnc(cc1C(=O)O)Br ACT05488 [0,1,0,0,0,1|2,0,0]=4 137 B10R1.113 c1cnc(cc1C(=O)O)Cl ACT02429 [0,1,0,0,0,1|2,0,0]=4 138 B10R1.113 c1cnc(cc1C(=O)O)N ACT05487 [0,1,0,0,0,1|2,0,0]=4 139 B10R1.113 c1cnc(cc1Cl)C(=O)O ACT04485 [0,1,0,0,0,1|2,0,0]=4 140 B10R1.11 CCOC(=O)c1c[nH]cn1 ACT09368 [0,2,0,0,0,0|2,0,0]=4 141 B10R1.11 CCOC(=O)c1ccc[nH]1 ACT01682 [0,2,0,0,0,0|1,0,0]=3 142 B10R1.11 CCOC(=O)c1cscn1 ACT07238 [0,2,0,0,0,0|2,0,0]=4 143 B10R1.14 COC(=O)c1cc([nH]n1)O ACT05175 [0,2,0,0,0,0|2,0,0]=4 144 B10R1.14 COC(=O)c1cc(c[nH]1)Br ACT01690 [0,2,0,0,0,0|1,0,0]=3 145 B10R1.14 COC(=O)c1ccc(o1)Br ACT11325 [0,2,0,0,0,0|0,0,0]=2 146 B10R1.14 COC(=O)c1csc(n1)Br ACT11266 [0,2,0,0,0,0|2,0,0]=4 147 B10R1.14 COC(=O)c1csc(n1)Cl ACT08946 [0,2,0,0,0,0|2,0,0]=4 148 B10R1.14 COC(=O)c1ncc(s1)Cl ACT11283 [0,2,0,0,0,0|1,1,0]=4 149 B10R1.14 Cc1cnc(s1)C(=O)OC ACT11272 [0,2,0,0,0,0|1,1,0]=4 150 B10R1.14 Cc1csc(n1)C(=O)OC ACT11276 [0,2,0,0,0,0|1,1,0]=4 151 B10R1.149 COC(=O)c1c(scn1)Br ACT08999 [0,2,0,0,0,0|2,0,0]=4 152 B10R1.59 Cc1cc(c(o1)C)C(=O)C ACT06514 [0,2,0,0,0,0|2,0,0]=4 153 B8R1.4 Cc1cccc(c1)I ACT05470 [0,0,1,1,0,0|2,0,0]=4 154 B8R1.4 Cc1cccc(n1)Br ACT01537 [0,0,1,1,0,0|2,0,0]=4 155 B8R1.4 Cc1cccc(n1)Cl ACT01505 [0,0,1,1,0,0|2,0,0]=4 156 B8R1.4 Cc1cccc(n1)N ACT01440 [0,0,1,1,0,0|2,0,0]=4 157 B8R1.4 Cc1cccc(n1)O ACT06907 [0,0,1,1,0,0|1,0,0]=3 158 B8R1.4 Cc1ccnc(c1)O ACT08283 [0,0,1,1,0,0|2,0,0]=4 159 B8R1.4 Cc1ccnc(n1)O ACT08959 [0,0,1,1,0,0|2,0,0]=4 160 B8R1.4 Cc1cncc(n1)O ACT11353 [0,0,1,1,0,0|2,0,0]=4 161 B8R1.4 c1cc(cc(c1)I)O ACT00797 [0,0,1,1,0,0|1,0,1]=4 162 B8R1.4 c1cc(cc(c1)O)N ACT04954 [0,0,1,1,0,0|1,0,1]=4 163 B8R1.4 c1cc(cc(c1)O)N ACT07279 [0,0,1,1,0,0|1,0,1]=4 164 B8R1.4 c1cc(nc(c1)Cl)O ACT04499 [0,0,1,1,0,0|2,0,0]=4 165 B8R1.4 c1cc(nc(c1)O)N ACT01322 [0,0,1,1,0,0|2,0,0]=4 166 B8R1.5 Cc1c(cccn1)N ACT01459 [0,0,1,1,0,0|2,0,0]=4 167 B8R1.5 Cc1c(cccn1)N ACT01459 [0,0,1,1,0,0|2,0,0]=4 168 B8R1.5 Cc1c(cccn1)O ACT01461 [0,0,1,1,0,0|1,0,0]=3 169 B8R1.5 Cc1ccc[nH]c1=O ACT01511 [0,0,1,1,0,0|2,0,0]=4 170 B8R1.5 Cc1ccccc1I ACT05468 [0,0,1,1,0,0|2,0,0]=4 171 B8R1.5 c1cc(c(=O)[nH]c1)Br ACT07182 [0,0,1,1,0,0|2,0,0]=4 172 B8R1.5 c1cc(c(nc1)F)O ACT07366 [0,0,1,1,0,0|2,0,0]=4 173 B8R1.5 c1cc(c(nc1)I)O ACT11077 [0,0,1,1,0,0|2,0,0]=4 174 B8R1.5 c1ccc(c(c1)O)I ACT05465 [0,0,1,1,0,0|1,0,1]=4 175 B8R1.2 COc1ccccn1 ACT06584 [1,0,0,0,0,1|2,0,0]=4 176 B8R1.2 COc1ccncc1 ACT01615 [1,0,0,0,0,1|2,0,0]=4 177 B8R1.2 COc1cnccn1 ACT06613 [1,0,0,0,0,1|2,0,0]=4 178 B8R1.2 CSc1cnccn1 ACT01756 [1,0,0,0,0,1|2,0,0]=4 179 B8R1.2 c1cc(cnc1)C=O ACT04700 [1,0,0,0,0,1|1,0,0]=3 180 B8R1.2 c1ccnc(c1)C=O ACT07081 [1,0,0,0,0,1|1,0,0]=3 181 B8R1.2 c1cnccc1C=O ACT05935 [1,0,0,0,0,1|1,0,0]=3 182 B10R1.18 CC(=O)Cc1ccncc1 ACT03946 [0,0,0,0,0,2|1,0,0]=3 183 B10R1.18 c1cc(cnc1)CC(=O)O ACT08551 [0,0,0,0,0,2|2,0,0]=4 184 B10R1.18 c1ccc(cc1)CC(=O)N ACT04844 [0,0,0,0,0,2|2,0,0]=4 185 B10R1.18 c1ccnc(c1)CC(=O)O ACT04435 [0,0,0,0,0,2|2,0,0]=4 186 B10R1.66 CC(=O)SCc1ccco1 ACT06395 [0,0,0,0,0,2|0,0,0]=2