0 B10R1.113 NC(=O)c1cccc(c1)Br CSC000162208 [0,0,0,0,0,0|4,0,0]=4 1 B10R1.113 NC(=O)c1cccc(c1)I CSC000162231 [0,0,0,0,0,0|4,0,0]=4 2 B10R1.113 NC(=O)c1cccc(n1)F CSC011830463 [0,0,0,0,0,0|3,0,0]=3 3 B9R1.6 CS(=O)c1ccccc1 CSC000038873 [1,0,0,0,0,0|3,0,0]=4 4 B9R1.6 CS(=O)c1ccccn1 CSC000064355 [1,0,0,0,0,0|2,0,0]=3 5 B11R1.21 Cc1cc(ccc1Br)C(=O)N CSC011218126 [0,1,0,0,0,0|3,0,0]=4 6 B11R1.21 Cc1cc(ccc1F)C(=O)N CSC011217366 [0,1,0,0,0,0|3,0,0]=4 7 B11R1.21 Cc1ccc(cc1C)C(=O)N CSC000162321 [0,1,0,0,0,0|3,0,0]=4 8 B11R1.23 CNC(=O)c1cccc(c1)Br CSC000155082 [0,1,0,0,0,0|3,0,0]=4 9 B11R1.23 CNC(=O)c1cccc(c1)C CSC000159928 [0,1,0,0,0,0|2,0,0]=3 10 B11R1.23 CNC(=O)c1cccc(c1)Cl CSC000159822 [0,1,0,0,0,0|3,0,0]=4 11 B11R1.23 CNC(=O)c1cccc(c1)F CSC000159920 [0,1,0,0,0,0|3,0,0]=4 12 B11R1.23 CNC(=O)c1cccc(c1)I CSC000155084 [0,1,0,0,0,0|3,0,0]=4 13 B11R1.23 CNC(=O)c1cccc(c1)O CSC000159807 [0,1,0,0,0,0|3,0,0]=4 14 B11R1.23 COC(=O)c1cc[nH]c(=O)c1 CSC011935111 [0,1,0,0,0,0|2,0,1]=4 15 B11R1.23 COC(=O)c1cccc(c1)Br CSC000148679 [0,1,0,0,0,0|3,0,0]=4 16 B11R1.23 COC(=O)c1cccc(c1)C CSC000149472 [0,1,0,0,0,0|2,0,0]=3 17 B11R1.23 COC(=O)c1cccc(c1)Cl CSC000150768 [0,1,0,0,0,0|3,0,0]=4 18 B11R1.23 COC(=O)c1cccc(c1)F CSC000148988 [0,1,0,0,0,0|3,0,0]=4 19 B11R1.23 COC(=O)c1cccc(c1)I CSC000148848 [0,1,0,0,0,0|3,0,0]=4 20 B11R1.23 COC(=O)c1cccc(c1)O CSC000150331 [0,1,0,0,0,0|3,0,0]=4 21 B11R1.23 COC(=O)c1cccc(n1)C CSC000741576 [0,1,0,0,0,0|1,0,0]=2 22 B11R1.23 COC(=O)c1cccc(n1)F CSC000724373 [0,1,0,0,0,0|2,0,0]=3 23 B11R1.23 COC(=O)c1ccnc(c1)C CSC012001301 [0,1,0,0,0,0|1,0,0]=2 24 B11R1.23 COC(=O)c1ccnc(c1)F CSC011581676 [0,1,0,0,0,0|2,0,0]=3 25 B11R1.23 COC(=O)c1ccnc(n1)C CSC000054160 [0,1,0,0,0,0|0,0,0]=1 26 B11R1.23 Cc1cccc(c1)C(=O)NN CSC000189845 [0,1,0,0,0,0|3,0,0]=4 27 B11R1.23 Cc1nccc(n1)C(=O)NN CSC000053180 [0,1,0,0,0,0|1,0,0]=2 28 B11R1.74 Cc1cc(cc(c1)C(=O)N)C CSC000162256 [0,1,0,0,0,0|3,0,0]=4 29 B11R1.74 Cc1cc(cc(c1)C(=O)N)F CSC011217717 [0,1,0,0,0,0|3,0,0]=4 30 B11R1.159 Cc1cccc(c1Br)C(=O)N CSC012356287 [0,1,0,0,0,0|3,0,0]=4 31 B11R1.159 Cc1cccc(c1C)C(=O)N CSC000162285 [0,1,0,0,0,0|3,0,0]=4 32 B11R1.167 Cc1ccc(c(c1)C(=O)N)C CSC000162255 [0,1,0,0,0,0|3,0,0]=4 33 B11R1.167 Cc1ccc(c(c1)C(=O)N)F CSC011692772 [0,1,0,0,0,0|3,0,0]=4 34 B11R1.167 Cc1ccc(c(c1)C(=O)N)O CSC000192840 [0,1,0,0,0,0|3,0,0]=4 35 B9R1.35 CC(C)c1csc(n1)C CSC011911451 [0,0,0,0,1,0|2,0,1]=4 36 B9R1.35 CC(C)c1nc(cs1)C CSC000717878 [0,0,0,0,1,0|2,0,1]=4 37 B9R1.35 Cc1csc(c1)C(=O)N CSC000068353 [0,0,0,0,1,0|3,0,0]=4 38 B9R1.35 NC(=O)c1ccc(o1)Br CSC000162236 [0,0,0,0,1,0|3,0,0]=4 39 B9R1.35 NC(=O)c1ccc(s1)Cl CSC000162217 [0,0,0,0,1,0|3,0,0]=4 40 B9R1.35 NC(=O)c1csc(n1)Br CSC010247141 [0,0,0,0,1,0|3,0,0]=4 41 B9R1.35 NC(=O)c1csc(n1)Cl CSC000118217 [0,0,0,0,1,0|3,0,0]=4 42 B9R1.41 Cc1ccsc1C(=O)N CSC000162183 [0,0,0,0,1,0|3,0,0]=4 43 B9R1.41 Cc1nnsc1C(=O)N CSC000216899 [0,0,0,0,1,0|3,0,0]=4 44 B9R1.41 Cc1sccc1C(=O)N CSC000068317 [0,0,0,0,1,0|2,0,0]=3 45 B11R1.157 CC(=O)Nc1cc(ccn1)C CSC000016760 [0,0,0,0,0,1|3,0,0]=4 46 B11R1.157 CC(=O)Nc1cccc(c1)Br CSC000153616 [0,0,0,0,0,1|3,0,0]=4 47 B11R1.157 CC(=O)Nc1cccc(c1)C CSC000153650 [0,0,0,0,0,1|2,0,0]=3 48 B11R1.157 CC(=O)Nc1cccc(c1)F CSC000153968 [0,0,0,0,0,1|3,0,0]=4 49 B11R1.157 CC(=O)Nc1cccc(n1)F CSC012002399 [0,0,0,0,0,1|2,0,0]=3 50 B11R1.157 CC(=O)Nc1ccnc(c1)C CSC000199137 [0,0,0,0,0,1|1,0,0]=2 51 B11R1.157 CC(=O)Oc1cccc(c1)Br CSC009811612 [0,0,0,0,0,1|3,0,0]=4 52 B11R1.157 CC(=O)Oc1cccc(c1)C CSC000001900 [0,0,0,0,0,1|2,0,0]=3 53 B11R1.157 CC(=O)Oc1cccc(c1)Cl CSC000001977 [0,0,0,0,0,1|3,0,0]=4 54 B11R1.157 CC(=O)Oc1cccc(c1)F CSC000002014 [0,0,0,0,0,1|3,0,0]=4 55 B11R1.157 Cc1cccc(c1)NC(=O)N CSC000181699 [0,0,0,0,0,1|3,0,0]=4 56 B10R1.13 NC(=O)c1ccc(cn1)Br CSC011219284 [1,1,0,0,0,0|2,0,0]=4 57 B10R1.13 NC(=O)c1ccc(cn1)Cl CSC011834066 [1,1,0,0,0,0|2,0,0]=4 58 B10R1.13 NC(=O)c1ccc(cn1)F CSC012180490 [1,1,0,0,0,0|2,0,0]=4 59 B10R1.61 NC(=O)c1ccncc1F CSC000698873 [1,1,0,0,0,0|2,0,0]=4 60 B10R1.61 NC(=O)c1ncccc1Cl CSC000099198 [1,1,0,0,0,0|2,0,0]=4 61 B10R1.61 NC(=O)c1ncccc1F CSC009850871 [1,1,0,0,0,0|2,0,0]=4 62 B10R1.14 CNC(=O)c1ccc(s1)Br CSC000155069 [0,1,0,0,1,0|2,0,0]=4 63 B10R1.14 CNC(=O)c1coc(n1)C CSC000144003 [0,1,0,0,1,0|1,0,0]=3 64 B10R1.14 COC(=O)c1cc(cs1)C CSC000040733 [0,1,0,0,1,0|2,0,0]=4 65 B10R1.14 COC(=O)c1cc(no1)C CSC000204421 [0,1,0,0,1,0|2,0,0]=4 66 B10R1.14 COC(=O)c1ccc(o1)C CSC000151062 [0,1,0,0,1,0|1,0,0]=3 67 B10R1.14 COC(=O)c1ccc(o1)Cl CSC000191419 [0,1,0,0,1,0|2,0,0]=4 68 B10R1.14 COC(=O)c1ccc(s1)Br CSC000148107 [0,1,0,0,1,0|2,0,0]=4 69 B10R1.14 COC(=O)c1ccc(s1)C CSC000150765 [0,1,0,0,1,0|1,0,0]=3 70 B10R1.14 COC(=O)c1ccc(s1)Cl CSC000148076 [0,1,0,0,1,0|2,0,0]=4 71 B10R1.14 COC(=O)c1ccn(n1)C CSC000698609 [0,1,0,0,1,0|1,0,0]=3 72 B10R1.14 COC(=O)c1cnn(n1)C CSC012184621 [0,1,0,0,1,0|1,0,0]=3 73 B10R1.14 COC(=O)c1coc(c1)C CSC012017277 [0,1,0,0,1,0|2,0,0]=4 74 B10R1.14 COC(=O)c1coc(n1)C CSC000067300 [0,1,0,0,1,0|1,0,0]=3 75 B10R1.14 COC(=O)c1nc(cs1)C CSC000087785 [0,1,0,0,1,0|1,0,0]=3 76 B10R1.14 Cc1ccc(o1)C(=O)NN CSC000189940 [0,1,0,0,1,0|2,0,0]=4 77 B10R1.14 Cc1ccc(s1)C(=O)NN CSC000189777 [0,1,0,0,1,0|2,0,0]=4 78 B10R1.59 CC(=O)c1nc(sc1C)C CSC000008397 [0,1,0,0,1,0|1,0,0]=3 79 B10R1.59 Cc1nc(c(s1)C(=O)N)C CSC000188090 [0,1,0,0,1,0|2,0,0]=4 80 B10R1.59 Cn1cc(c(n1)C(=O)N)Cl CSC010781376 [0,1,0,0,1,0|2,0,0]=4 81 B10R1.59 Cn1cc(c(n1)C(=O)N)I CSC010776204 [0,1,0,0,1,0|2,0,0]=4 82 B10R1.149 COC(=O)c1ccoc1Br CSC011935261 [0,1,0,0,1,0|2,0,0]=4 83 B10R1.149 COC(=O)c1ccoc1C CSC000198963 [0,1,0,0,1,0|1,0,0]=3 84 B10R1.149 COC(=O)c1ccsc1Br CSC009822520 [0,1,0,0,1,0|2,0,0]=4 85 B10R1.149 COC(=O)c1ccsc1C CSC012003538 [0,1,0,0,1,0|1,0,0]=3 86 B10R1.149 COC(=O)c1cn[nH]c1C CSC011998119 [0,1,0,0,1,0|1,0,1]=4 87 B10R1.149 COC(=O)c1cnnn1C CSC012184884 [0,1,0,0,1,0|2,0,0]=4 88 B10R1.149 COC(=O)c1cocc1C CSC009857685 [0,1,0,0,1,0|2,0,0]=4 89 B10R1.149 COC(=O)c1csnc1C CSC000106640 [0,1,0,0,1,0|1,0,0]=3 90 B10R1.149 COC(=O)c1ncoc1C CSC000063398 [0,1,0,0,1,0|2,0,0]=4 91 B10R1.149 COC(=O)c1sccc1C CSC000150764 [0,1,0,0,1,0|2,0,0]=4 92 B10R1.149 COC(=O)c1scnc1C CSC011302605 [0,1,0,0,1,0|1,0,0]=3 93 B10R1.192 Cc1noc(c1C(=O)N)C CSC000016683 [0,1,0,0,1,0|2,0,0]=4 94 B10R1.192 Cn1ncc(c1C(=O)N)I CSC010776205 [0,1,0,0,1,0|2,0,0]=4 95 B12R1.19 CC(=O)Nc1ccc(c(c1)C)C CSC000153705 [0,1,0,0,0,1|2,0,0]=4 96 B12R1.19 CC(=O)Nc1ccc(c(c1)C)N CSC011203061 [0,1,0,0,0,1|2,0,0]=4 97 B12R1.19 CC(=O)Nc1ccc(c(c1)C)O CSC012186693 [0,1,0,0,0,1|2,0,0]=4 98 B12R1.19 CC(=O)Nc1ccc(c(n1)C)Br CSC000187074 [0,1,0,0,0,1|1,0,0]=3 99 B12R1.19 CC(=O)Oc1ccc(c(c1)C)C CSC000002428 [0,1,0,0,0,1|2,0,0]=4 100 B12R1.50 CCC(=O)Nc1cccc(c1)C CSC000153655 [0,1,0,0,0,1|2,0,0]=4 101 B12R1.50 CNC(=O)Nc1cccc(c1)C CSC000178579 [0,1,0,0,0,1|2,0,0]=4 102 B12R1.50 COC(=O)Cc1cccc(c1)C CSC011661688 [0,1,0,0,0,1|2,0,0]=4 103 B12R1.50 Cc1cccc(c1)NC(=O)CN CSC000168384 [0,1,0,0,0,1|2,0,0]=4 104 B12R1.50 Cc1cccc(c1)NC(=O)CO CSC000749660 [0,1,0,0,0,1|2,0,0]=4 105 B12R1.101 CC(=O)Nc1cc(cc(c1)C)C CSC000155763 [0,1,0,0,0,1|2,0,0]=4 106 B12R1.101 CC(=O)Nc1nc(cc(n1)C)C CSC000011661 [0,1,0,0,0,1|2,0,0]=4 107 B12R1.101 CC(=O)Oc1cc(cc(c1)C)C CSC000002434 [0,1,0,0,0,1|2,0,0]=4 108 B12R1.127 CC(=O)Nc1cc(ccc1C)C CSC000152684 [0,1,0,0,0,1|2,0,0]=4 109 B12R1.127 CC(=O)Nc1cc(ccc1O)C CSC000035807 [0,1,0,0,0,1|2,0,0]=4 110 B12R1.127 CC(=O)Oc1cc(ccc1C)C CSC000002421 [0,1,0,0,0,1|2,0,0]=4 111 B12R1.224 CC(=O)Nc1cccc(c1C)C CSC000153689 [0,1,0,0,0,1|2,0,0]=4 112 B12R1.438 COc1cccc(c1)OC(=O)C CSC000001337 [0,1,0,0,0,1|2,0,0]=4 113 B12R1.438 CSc1cccc(c1)NC(=O)C CSC000153993 [0,1,0,0,0,1|2,0,0]=4 114 B12R1.48 COc1ccc(cc1C)C(=O)C CSC000693588 [0,2,0,0,0,0|2,0,0]=4 115 B12R1.367 CNC(=O)c1ccc(c(c1)C)C CSC000159929 [0,2,0,0,0,0|2,0,0]=4 116 B12R1.367 CNC(=O)c1ccc(c(c1)C)N CSC000739472 [0,2,0,0,0,0|2,0,0]=4 117 B12R1.367 COC(=O)c1ccc(=O)n(n1)C CSC011315517 [0,2,0,0,0,0|2,0,0]=4 118 B12R1.367 COC(=O)c1ccc(c(c1)C)Br CSC011215878 [0,2,0,0,0,0|2,0,0]=4 119 B12R1.367 COC(=O)c1ccc(c(c1)C)C CSC000149473 [0,2,0,0,0,0|2,0,0]=4 120 B12R1.367 COC(=O)c1ccc(c(c1)C)Cl CSC011217186 [0,2,0,0,0,0|2,0,0]=4 121 B12R1.367 COC(=O)c1ccc(c(c1)C)F CSC000698631 [0,2,0,0,0,0|2,0,0]=4 122 B12R1.367 COC(=O)c1ccc(c(c1)C)O CSC011997373 [0,2,0,0,0,0|2,0,0]=4 123 B12R1.17 CCNC(=O)c1cccc(c1)C CSC000160206 [0,2,0,0,0,0|2,0,0]=4 124 B12R1.17 CCOC(=O)c1cccc(c1)C CSC000170498 [0,2,0,0,0,0|2,0,0]=4 125 B12R1.17 CCOC(=O)c1ccnc(c1)C CSC011935281 [0,2,0,0,0,0|1,0,0]=3 126 B12R1.24 COC(=O)c1cccc(c1Br)C CSC012339457 [0,2,0,0,0,0|2,0,0]=4 127 B12R1.24 COC(=O)c1cccc(c1C)C CSC000149159 [0,2,0,0,0,0|2,0,0]=4 128 B12R1.24 COC(=O)c1cccc(c1Cl)C CSC012002529 [0,2,0,0,0,0|2,0,0]=4 129 B12R1.24 COC(=O)c1cccc(c1F)C CSC012001762 [0,2,0,0,0,0|2,0,0]=4 130 B12R1.24 COC(=O)c1cccc(c1I)C CSC011294812 [0,2,0,0,0,0|2,0,0]=4 131 B12R1.24 COC(=O)c1cccc(c1O)C CSC000149854 [0,2,0,0,0,0|2,0,0]=4 132 B12R1.24 COC(=O)c1ccnc(c1F)F CSC012662669 [0,2,0,0,0,0|2,0,0]=4 133 B12R1.354 CNC(=O)c1cc(ccc1C)C CSC000159876 [0,2,0,0,0,0|2,0,0]=4 134 B12R1.354 COC(=O)c1cc(ccc1Br)C CSC012339458 [0,2,0,0,0,0|2,0,0]=4 135 B12R1.354 COC(=O)c1cc(ccc1C)C CSC000148939 [0,2,0,0,0,0|2,0,0]=4 136 B12R1.354 COC(=O)c1cc(ccc1F)C CSC000703722 [0,2,0,0,0,0|2,0,0]=4 137 B12R1.354 COC(=O)c1cc(ccc1N)C CSC000216452 [0,2,0,0,0,0|2,0,0]=4 138 B12R1.354 COC(=O)c1cc(ccc1O)C CSC000216618 [0,2,0,0,0,0|2,0,0]=4 139 B12R1.358 COC(=O)c1cc(cc(c1)Br)C CSC012359405 [0,2,0,0,0,0|2,0,0]=4 140 B12R1.358 COC(=O)c1cc(nc(c1)O)C CSC015345939 [0,2,0,0,0,0|1,0,0]=3 141 B12R1.435 CCc1cccc(n1)C(=O)OC CSC009857250 [0,2,0,0,0,0|1,0,0]=3 142 B12R1.435 CNC(=O)c1cccc(c1)OC CSC000159855 [0,2,0,0,0,0|2,0,0]=4 143 B12R1.435 COC(=O)c1cccc(c1)OC CSC000148714 [0,2,0,0,0,0|2,0,0]=4 144 B12R1.435 COC(=O)c1cccc(c1)SC CSC009884918 [0,2,0,0,0,0|2,0,0]=4 145 B12R1.435 COC(=O)c1cccc(n1)C#N CSC000085285 [0,2,0,0,0,0|1,0,1]=4 146 B12R1.435 COC(=O)c1cncc(n1)OC CSC011996600 [0,2,0,0,0,0|2,0,0]=4 147 B12R1.453 CSc1ncc(c(n1)C(=O)N)Cl CSC000726037 [0,2,0,0,0,0|1,0,0]=3 148 B10R1.54 CC(=O)Nc1nc(ns1)C CSC012179674 [0,0,1,1,0,0|2,0,0]=4 149 B12R1.226 CC(=O)NCc1cccc(c1)C CSC011222369 [0,0,0,0,0,2|2,0,0]=4