0 B9R1.1 CNc1ccc(cc1)Br CSC000219623 [0,0,0,0,0,0|2,0,0]=2 1 B9R1.1 CNc1ccc(cc1)Cl CSC000220157 [0,0,0,0,0,0|2,0,0]=2 2 B9R1.1 CNc1ncc(cn1)Br CSC000697329 [0,0,0,0,0,0|4,0,0]=4 3 B9R1.1 CNc1ncc(cn1)Cl CSC012001665 [0,0,0,0,0,0|4,0,0]=4 4 B9R1.1 COc1ccc(cc1)Br CSC000169945 [0,0,0,0,0,0|1,0,0]=1 5 B9R1.1 COc1ccc(cc1)Cl CSC000169959 [0,0,0,0,0,0|1,0,0]=1 6 B9R1.1 COc1ccc(cc1)I CSC000171711 [0,0,0,0,0,0|1,0,0]=1 7 B9R1.1 CSc1ccc(cc1)Br CSC000149455 [0,0,0,0,0,0|1,1,0]=2 8 B9R1.1 CSc1ccc(cc1)Cl CSC000150468 [0,0,0,0,0,0|1,1,0]=2 9 B9R1.1 CSc1ccc(cc1)F CSC000000078 [0,0,0,0,0,0|1,1,0]=2 10 B9R1.1 CSc1ccc(cc1)O CSC000211864 [0,0,0,0,0,0|0,1,0]=1 11 B9R1.1 CSc1ccc(cn1)Br CSC011408404 [0,0,0,0,0,0|2,1,0]=3 12 B8R1.2 CSc1ncccn1 CSC000000289 [1,0,0,0,0,0|2,1,0]=4 13 B10R1.1 CCNc1ccc(cc1)Cl CSC000220165 [0,1,0,0,0,0|2,0,0]=3 14 B10R1.1 CCNc1ccc(cn1)Br CSC000741496 [0,1,0,0,0,0|3,0,0]=4 15 B10R1.1 CCOc1ccc(cc1)Br CSC000169946 [0,1,0,0,0,0|1,0,0]=2 16 B10R1.1 CCOc1ccc(cc1)Cl CSC000169960 [0,1,0,0,0,0|1,0,0]=2 17 B10R1.1 CCOc1ccc(cc1)I CSC000171712 [0,1,0,0,0,0|1,0,0]=2 18 B10R1.1 CCSc1ccc(cc1)Br CSC009811893 [0,1,0,0,0,0|1,1,0]=3 19 B10R1.1 CCSc1ccc(cc1)C CSC000006686 [0,1,0,0,0,0|1,1,0]=3 20 B10R1.1 CCSc1ccc(cc1)Cl CSC000005996 [0,1,0,0,0,0|1,1,0]=3 21 B10R1.1 CCSc1ccc(cc1)F CSC000006007 [0,1,0,0,0,0|1,1,0]=3 22 B10R1.1 CSCc1ccc(cc1)C CSC000051358 [0,1,0,0,0,0|1,1,0]=3 23 B10R1.1 CSCc1ccc(cc1)Cl CSC000000312 [0,1,0,0,0,0|1,1,0]=3 24 B10R1.1 CSCc1ccc(cc1)F CSC000051356 [0,1,0,0,0,0|1,1,0]=3 25 B10R1.3 COc1ccc(cc1)SC CSC000007070 [0,1,0,0,0,0|0,1,0]=2 26 B10R1.3 CSc1ccc(cc1)C#N CSC000188601 [0,1,0,0,0,0|1,1,0]=3 27 B10R1.13 CS(=O)c1ccc(cc1)Br CSC009816266 [0,1,0,0,0,0|1,1,0]=3 28 B10R1.13 CS(=O)c1ccc(cc1)Cl CSC000064343 [0,1,0,0,0,0|1,1,0]=3 29 B10R1.13 CS(=O)c1ccc(cc1)F CSC011920622 [0,1,0,0,0,0|1,1,0]=3 30 B10R1.13 CS(=O)c1ccc(cc1)O CSC000064373 [0,1,0,0,0,0|0,1,0]=2 31 B10R1.13 Cc1ccc(cc1)S(=O)C CSC000031592 [0,1,0,0,0,0|1,1,0]=3 32 B10R1.13 NC(=O)c1ccc(cc1)Cl CSC000162172 [0,1,0,0,0,0|3,0,0]=4 33 B10R1.13 NC(=O)c1ccc(cc1)I CSC000162191 [0,1,0,0,0,0|3,0,0]=4 34 B10R1.25 CNc1ccc(cc1C)Cl CSC011806183 [0,1,0,0,0,0|2,0,0]=3 35 B10R1.25 CNc1ccc(cc1Cl)Cl CSC000220404 [0,1,0,0,0,0|2,0,0]=3 36 B10R1.25 COc1ccc(cc1Br)Br CSC000170007 [0,1,0,0,0,0|1,0,0]=2 37 B10R1.25 COc1ccc(cc1Br)C CSC000186399 [0,1,0,0,0,0|1,0,0]=2 38 B10R1.25 COc1ccc(cc1Br)F CSC000171694 [0,1,0,0,0,0|1,0,0]=2 39 B10R1.25 COc1ccc(cc1C)Br CSC011219705 [0,1,0,0,0,0|1,0,0]=2 40 B10R1.25 COc1ccc(cc1C)Cl CSC000170507 [0,1,0,0,0,0|1,0,0]=2 41 B10R1.25 COc1ccc(cc1C)F CSC011216167 [0,1,0,0,0,0|1,0,0]=2 42 B10R1.25 COc1ccc(cc1Cl)Br CSC000149647 [0,1,0,0,0,0|1,0,0]=2 43 B10R1.25 COc1ccc(cc1Cl)C CSC011933932 [0,1,0,0,0,0|1,0,0]=2 44 B10R1.25 COc1ccc(cc1Cl)Cl CSC000170024 [0,1,0,0,0,0|1,0,0]=2 45 B10R1.25 COc1ccc(cc1Cl)F CSC000170253 [0,1,0,0,0,0|1,0,0]=2 46 B10R1.25 COc1ccc(cc1F)Cl CSC011218554 [0,1,0,0,0,0|1,0,0]=2 47 B10R1.25 COc1ccc(cc1I)C CSC011263220 [0,1,0,0,0,0|1,0,0]=2 48 B10R1.25 CSc1ccc(cc1C)C CSC000001076 [0,1,0,0,0,0|1,1,0]=3 49 B10R1.25 CSc1ccc(cc1Cl)Cl CSC000076917 [0,1,0,0,0,0|1,1,0]=3 50 B10R1.25 CSc1ccc(cc1F)F CSC000017874 [0,1,0,0,0,0|1,1,0]=3 51 B10R1.176 CNc1ccc(c(c1)Cl)C CSC000220120 [0,1,0,0,0,0|2,0,0]=3 52 B10R1.176 CNc1ccc(c(c1)Cl)Cl CSC000219944 [0,1,0,0,0,0|2,0,0]=3 53 B10R1.176 CNc1ccc(c(c1)F)Br CSC012285320 [0,1,0,0,0,0|2,0,0]=3 54 B10R1.176 COc1ccc(=O)n(n1)C CSC009892526 [0,1,0,0,0,0|2,0,1]=4 55 B10R1.176 COc1ccc(c(c1)Br)C CSC012349166 [0,1,0,0,0,0|1,0,0]=2 56 B10R1.176 COc1ccc(c(c1)Br)Cl CSC011290771 [0,1,0,0,0,0|1,0,0]=2 57 B10R1.176 COc1ccc(c(c1)Br)I CSC012349170 [0,1,0,0,0,0|1,0,0]=2 58 B10R1.176 COc1ccc(c(c1)C)Br CSC000759875 [0,1,0,0,0,0|1,0,0]=2 59 B10R1.176 COc1ccc(c(c1)C)Cl CSC000170508 [0,1,0,0,0,0|1,0,0]=2 60 B10R1.176 COc1ccc(c(c1)C)F CSC011217415 [0,1,0,0,0,0|1,0,0]=2 61 B10R1.176 COc1ccc(c(c1)Cl)Br CSC000730603 [0,1,0,0,0,0|1,0,0]=2 62 B10R1.176 COc1ccc(c(c1)Cl)C CSC000021920 [0,1,0,0,0,0|1,0,0]=2 63 B10R1.176 COc1ccc(c(c1)Cl)Cl CSC000170311 [0,1,0,0,0,0|1,0,0]=2 64 B10R1.176 COc1ccc(c(c1)Cl)F CSC000006738 [0,1,0,0,0,0|1,0,0]=2 65 B10R1.176 COc1ccc(c(c1)F)Br CSC000753793 [0,1,0,0,0,0|1,0,0]=2 66 B10R1.176 COc1ccc(c(c1)F)C CSC011218487 [0,1,0,0,0,0|1,0,0]=2 67 B10R1.176 COc1ccc(c(c1)F)Cl CSC011215935 [0,1,0,0,0,0|1,0,0]=2 68 B10R1.176 COc1ccc(c(c1)F)F CSC000038840 [0,1,0,0,0,0|1,0,0]=2 69 B10R1.176 CSc1ccc(c(c1)C)C CSC000001060 [0,1,0,0,0,0|1,1,0]=3 70 B10R1.176 CSc1ccc(c(c1)Cl)Cl CSC000116842 [0,1,0,0,0,0|1,1,0]=3 71 B10R1.176 CSc1ccc(c(c1)Cl)F CSC000021471 [0,1,0,0,0,0|1,1,0]=3 72 B9R1.2 CNc1cccc(c1)Cl CSC000220044 [1,1,0,0,0,0|1,0,0]=3 73 B9R1.2 CNc1cccc(c1)I CSC000221217 [1,1,0,0,0,0|1,0,0]=3 74 B9R1.2 COc1cccc(c1)Br CSC000170001 [1,1,0,0,0,0|0,0,0]=2 75 B9R1.2 COc1cccc(c1)Cl CSC000170018 [1,1,0,0,0,0|0,0,0]=2 76 B9R1.2 COc1cccc(c1)I CSC000171673 [1,1,0,0,0,0|0,0,0]=2 77 B9R1.2 CSc1cccc(c1)Br CSC011215954 [1,1,0,0,0,0|0,1,0]=3 78 B9R1.2 CSc1cccc(c1)Cl CSC000033908 [1,1,0,0,0,0|0,1,0]=3 79 B9R1.2 CSc1cccc(c1)F CSC000067534 [1,1,0,0,0,0|0,1,0]=3 80 B9R1.6 CS(=O)c1ccccc1 CSC000038873 [1,1,0,0,0,0|0,1,0]=3 81 B9R1.6 CS(=O)c1ccccn1 CSC000064355 [1,1,0,0,0,0|1,1,0]=4 82 B9R1.15 CNc1ccccc1Cl CSC000219374 [1,1,0,0,0,0|1,0,0]=3 83 B9R1.15 CNc1ncccc1Br CSC000700899 [1,1,0,0,0,0|2,0,0]=4 84 B9R1.15 COc1ccccc1Br CSC000174000 [1,1,0,0,0,0|0,0,0]=2 85 B9R1.15 COc1ccccc1Cl CSC000169952 [1,1,0,0,0,0|0,0,0]=2 86 B9R1.15 COc1ccccc1I CSC000210334 [1,1,0,0,0,0|0,0,0]=2 87 B9R1.15 CSc1ccccc1Br CSC000230855 [1,1,0,0,0,0|0,1,0]=3 88 B9R1.15 CSc1ccccc1Cl CSC000000335 [1,1,0,0,0,0|0,1,0]=3 89 B9R1.15 CSc1ccccc1F CSC000000233 [1,1,0,0,0,0|0,1,0]=3 90 B9R1.15 CSc1ccccc1O CSC011216402 [1,1,0,0,0,0|0,1,0]=3 91 B11R1.1 Brc1ccc(cc1)OCC#N CSC000169425 [0,2,0,0,0,0|1,0,0]=3 92 B11R1.1 Brc1ccc(cc1)OCC=C CSC000172055 [0,2,0,0,0,0|1,0,0]=3 93 B11R1.1 Brc1ccc(cc1)SCC=C CSC009811901 [0,2,0,0,0,0|1,1,0]=4 94 B11R1.1 CCCOc1ccc(cc1)Br CSC000169948 [0,2,0,0,0,0|1,0,0]=3 95 B11R1.1 CCCOc1ccc(cc1)C CSC000169969 [0,2,0,0,0,0|1,0,0]=3 96 B11R1.1 CCCSc1ccc(cc1)Br CSC009811899 [0,2,0,0,0,0|1,1,0]=4 97 B11R1.1 CCCSc1ccc(cc1)C CSC000006743 [0,2,0,0,0,0|1,1,0]=4 98 B11R1.1 CCCSc1ccc(cc1)Cl CSC000005799 [0,2,0,0,0,0|1,1,0]=4 99 B11R1.1 CCCSc1ccc(cc1)F CSC015531415 [0,2,0,0,0,0|1,1,0]=4 100 B11R1.1 CCNCc1ccc(cc1)Br CSC000187385 [0,2,0,0,0,0|2,0,0]=4 101 B11R1.1 CCNCc1ccc(cc1)C CSC000180869 [0,2,0,0,0,0|2,0,0]=4 102 B11R1.1 CCNCc1ccc(cc1)F CSC000189070 [0,2,0,0,0,0|2,0,0]=4 103 B11R1.1 CCSCc1ccc(cc1)Br CSC000173025 [0,2,0,0,0,0|1,1,0]=4 104 B11R1.1 CCSCc1ccc(cc1)C CSC000029035 [0,2,0,0,0,0|1,1,0]=4 105 B11R1.1 CCSCc1ccc(cc1)Cl CSC000006432 [0,2,0,0,0,0|1,1,0]=4 106 B11R1.1 CCSCc1ccc(cc1)F CSC000044549 [0,2,0,0,0,0|1,1,0]=4 107 B11R1.1 Cc1ccc(cc1)NCC#C CSC000219994 [0,2,0,0,0,0|2,0,0]=4 108 B11R1.1 Cc1ccc(cc1)NCCO CSC011233175 [0,2,0,0,0,0|2,0,0]=4 109 B11R1.1 Cc1ccc(cc1)OCC=C CSC000172063 [0,2,0,0,0,0|1,0,0]=3 110 B11R1.1 Cc1ccc(cc1)OCCO CSC011219107 [0,2,0,0,0,0|1,0,0]=3 111 B11R1.1 Cc1ccc(cc1)SCC#N CSC000173268 [0,2,0,0,0,0|1,1,0]=4 112 B11R1.1 Cc1ccc(cc1)SCC=C CSC000006760 [0,2,0,0,0,0|1,1,0]=4 113 B11R1.1 Cc1ccc(cc1)SCCO CSC000230582 [0,2,0,0,0,0|1,1,0]=4 114 B11R1.1 Clc1ccc(cc1)NCC#C CSC000220173 [0,2,0,0,0,0|2,0,0]=4 115 B11R1.1 Clc1ccc(cc1)SCC=C CSC000006393 [0,2,0,0,0,0|1,1,0]=4 116 B11R1.1 Fc1ccc(cc1)SCC=C CSC000006478 [0,2,0,0,0,0|1,1,0]=4 117 B11R1.1 OCCNc1ccc(cc1)Cl CSC011233097 [0,2,0,0,0,0|2,0,0]=4 118 B11R1.1 OCCNc1ccc(cc1)F CSC011233115 [0,2,0,0,0,0|2,0,0]=4 119 B11R1.1 OCCOc1ccc(cc1)Br CSC000686261 [0,2,0,0,0,0|1,0,0]=3 120 B11R1.1 OCCOc1ccc(cc1)Cl CSC000237962 [0,2,0,0,0,0|1,0,0]=3 121 B11R1.1 OCCOc1ccc(cc1)F CSC011305846 [0,2,0,0,0,0|1,0,0]=3 122 B11R1.1 OCCOc1ccc(cc1)I CSC000230681 [0,2,0,0,0,0|1,0,0]=3 123 B11R1.1 OCCSc1ccc(cc1)Cl CSC000230527 [0,2,0,0,0,0|1,1,0]=4 124 B11R1.1 OCCSc1ccc(cc1)F CSC000230679 [0,2,0,0,0,0|1,1,0]=4 125 B11R1.20 CC(=O)Nc1ccc(cc1)Br CSC000153570 [0,2,0,0,0,0|2,0,0]=4 126 B11R1.20 CC(=O)Nc1ccc(cc1)Cl CSC000154020 [0,2,0,0,0,0|2,0,0]=4 127 B11R1.20 CC(=O)Oc1ccc(cc1)Br CSC009811594 [0,2,0,0,0,0|1,0,0]=3 128 B11R1.20 CC(=O)Oc1ccc(cc1)C CSC000001885 [0,2,0,0,0,0|1,0,0]=3 129 B11R1.20 CC(=O)Oc1ccc(cc1)Cl CSC000001863 [0,2,0,0,0,0|1,0,0]=3 130 B11R1.20 CC(=O)Oc1ccc(cc1)F CSC000001924 [0,2,0,0,0,0|1,0,0]=3 131 B11R1.20 CC(C)Nc1ccc(cc1)Br CSC000219625 [0,2,0,0,0,0|2,0,0]=4 132 B11R1.20 CC(C)Sc1ccc(cc1)Br CSC009811894 [0,2,0,0,0,0|1,1,0]=4 133 B11R1.20 CC(C)Sc1ccc(cc1)C CSC000006694 [0,2,0,0,0,0|1,1,0]=4 134 B11R1.20 CC(C)Sc1ccc(cc1)Cl CSC000005997 [0,2,0,0,0,0|1,1,0]=4 135 B11R1.20 CC(C)Sc1ccc(cc1)F CSC000006008 [0,2,0,0,0,0|1,1,0]=4 136 B11R1.20 NC(=O)Cc1ccc(cc1)O CSC000020825 [0,2,0,0,0,0|1,0,1]=4 137 B11R1.22 CNC(=O)c1ccc(cc1)C CSC000159850 [0,2,0,0,0,0|2,0,0]=4 138 B11R1.22 CNC(=O)c1ccc(cc1)Cl CSC000159809 [0,2,0,0,0,0|2,0,0]=4 139 B11R1.22 CNC(=O)c1ccc(cc1)F CSC000159806 [0,2,0,0,0,0|2,0,0]=4 140 B11R1.22 COC(=O)c1cc[n+](cc1)[O-] CSC000000494 [0,2,0,0,0,0|1,0,1]=4 141 B11R1.22 COC(=O)c1ccc(cc1)Cl CSC000150334 [0,2,0,0,0,0|1,0,0]=3 142 B11R1.22 COC(=O)c1ccc(cc1)F CSC000150329 [0,2,0,0,0,0|1,0,0]=3 143 B11R1.22 COC(=O)c1ccc(cn1)Br CSC000697650 [0,2,0,0,0,0|2,0,0]=4 144 B11R1.22 COC(=O)c1ccc(cn1)Cl CSC000743185 [0,2,0,0,0,0|2,0,0]=4 145 B11R1.22 COC(=O)c1ccc(cn1)F CSC012017284 [0,2,0,0,0,0|2,0,0]=4 146 B11R1.22 COC(=O)c1ccc(nc1)C CSC000740734 [0,2,0,0,0,0|2,0,0]=4 147 B11R1.22 COC(=O)c1ccc(nc1)F CSC011934332 [0,2,0,0,0,0|2,0,0]=4 148 B11R1.81 CCNc1ccc(cc1C)Cl CSC000220351 [0,2,0,0,0,0|2,0,0]=4 149 B11R1.81 CCNc1ccc(cc1Cl)Cl CSC000220412 [0,2,0,0,0,0|2,0,0]=4 150 B11R1.81 CCOc1ccc(cc1Br)C CSC000230997 [0,2,0,0,0,0|1,0,0]=3 151 B11R1.81 CCOc1ccc(cc1Br)Cl CSC000171684 [0,2,0,0,0,0|1,0,0]=3 152 B11R1.81 CCOc1ccc(cc1C)Br CSC011308936 [0,2,0,0,0,0|1,0,0]=3 153 B11R1.81 CCOc1ccc(cc1C)C CSC000174096 [0,2,0,0,0,0|1,0,0]=3 154 B11R1.81 CCOc1ccc(cc1Cl)Br CSC000149648 [0,2,0,0,0,0|1,0,0]=3 155 B11R1.81 CCOc1ccc(cc1Cl)Cl CSC000005818 [0,2,0,0,0,0|1,0,0]=3 156 B11R1.81 CCOc1ccc(cc1Cl)F CSC000005860 [0,2,0,0,0,0|1,0,0]=3 157 B11R1.81 CCOc1ccc(cc1F)Br CSC000171753 [0,2,0,0,0,0|1,0,0]=3 158 B11R1.81 CCOc1ccc(cc1F)Cl CSC011212613 [0,2,0,0,0,0|1,0,0]=3 159 B11R1.81 CCSc1ccc(cc1C)C CSC000006292 [0,2,0,0,0,0|1,1,0]=4 160 B11R1.81 CSCc1ccc(cc1Cl)F CSC000051359 [0,2,0,0,0,0|1,1,0]=4 161 B11R1.81 CSCc1ccc(cc1F)F CSC010285496 [0,2,0,0,0,0|1,1,0]=4 162 B11R1.83 CCCc1ccc(cc1)OC CSC000034192 [0,2,0,0,0,0|1,0,0]=3 163 B11R1.83 CCOc1ccc(cc1)CN CSC000185588 [0,2,0,0,0,0|1,0,0]=3 164 B11R1.83 CCOc1ccc(cc1)CO CSC000173027 [0,2,0,0,0,0|0,0,0]=2 165 B11R1.83 CCOc1ccc(cc1)SC CSC000021790 [0,2,0,0,0,0|0,1,0]=3 166 B11R1.83 CCOc1ccc(nc1)CO CSC012645146 [0,2,0,0,0,0|1,0,0]=3 167 B11R1.83 CCSc1ccc(cc1)OC CSC000021481 [0,2,0,0,0,0|0,1,0]=3 168 B11R1.83 COCc1ccc(cc1)SC CSC010272925 [0,2,0,0,0,0|0,1,0]=3 169 B11R1.83 COc1ccc(cc1)CCO CSC011219623 [0,2,0,0,0,0|0,0,0]=2 170 B11R1.83 CSCc1ccc(cc1)SC CSC000051362 [0,2,0,0,0,0|0,2,0]=4 171 B11R1.192 CCNc1ccc(c(c1)C)C CSC000219818 [0,2,0,0,0,0|2,0,0]=4 172 B11R1.192 CCNc1ccc(c(c1)Cl)C CSC000220128 [0,2,0,0,0,0|2,0,0]=4 173 B11R1.192 CCNc1ccc(c(c1)Cl)Cl CSC000219952 [0,2,0,0,0,0|2,0,0]=4 174 B11R1.192 CCOc1ccc(c(c1)C)Br CSC012344538 [0,2,0,0,0,0|1,0,0]=3 175 B11R1.192 CCOc1ccc(c(c1)Cl)Br CSC010081125 [0,2,0,0,0,0|1,0,0]=3 176 B11R1.192 CCOc1ccc(c(c1)Cl)F CSC000006682 [0,2,0,0,0,0|1,0,0]=3 177 B11R1.192 CCOc1ccc(c(c1)F)Cl CSC011216938 [0,2,0,0,0,0|1,0,0]=3 178 B11R1.192 CCOc1ccc(c(c1)F)F CSC000024517 [0,2,0,0,0,0|1,0,0]=3 179 B11R1.192 CCSc1ccc(c(c1)C)C CSC000006256 [0,2,0,0,0,0|1,1,0]=4 180 B11R1.192 CCSc1ccc(c(c1)Cl)Cl CSC010243610 [0,2,0,0,0,0|1,1,0]=4 181 B11R1.192 CCSc1ccc(c(c1)Cl)F CSC000021472 [0,2,0,0,0,0|1,1,0]=4 182 B11R1.192 CNCc1ccc(c(c1)Cl)Cl CSC000184578 [0,2,0,0,0,0|2,0,0]=4 183 B11R1.192 CSCc1ccc(c(c1)Cl)Cl CSC000051355 [0,2,0,0,0,0|1,1,0]=4 184 B11R1.192 CSCc1ccc(c(c1)F)F CSC000053065 [0,2,0,0,0,0|1,1,0]=4 185 B11R1.3 CCc1ccc(cc1)C(=O)N CSC000162293 [0,2,0,0,0,0|1,0,1]=4 186 B11R1.3 CNc1ccc(cc1)C(=O)N CSC000220534 [0,2,0,0,0,0|1,0,1]=4 187 B11R1.3 COc1ccc(cc1)C(=C)C CSC011935109 [0,2,0,0,0,0|1,0,0]=3 188 B11R1.3 COc1ccc(cc1)C(C)C CSC000174001 [0,2,0,0,0,0|1,0,0]=3 189 B11R1.3 COc1ccc(cc1)[C@@H](C)O CSC000744170 [0,2,0,0,0,0|0,0,0]=2 190 B11R1.3 COc1ccc(cc1)[N+](=O)[O-] CSC000156026 [0,2,0,0,0,0|0,0,1]=3 191 B11R1.3 COc1ccc(cn1)C(=O)N CSC000234233 [0,2,0,0,0,0|1,0,1]=4 192 B11R1.3 CSc1ccc(cc1)C(C)C CSC000044649 [0,2,0,0,0,0|1,1,0]=4 193 B11R1.3 CSc1ccc(cc1)[N+](=O)[O-] CSC000039800 [0,2,0,0,0,0|0,1,1]=4 194 B11R1.279 COc1ccc(c(c1)C)C#N CSC011934301 [0,2,0,0,0,0|1,0,0]=3 195 B11R1.279 COc1ccc(c(c1)Cl)C#N CSC011218975 [0,2,0,0,0,0|1,0,0]=3 196 B11R1.279 COc1ccc(c(c1)F)C#N CSC000687259 [0,2,0,0,0,0|1,0,0]=3 197 B11R1.279 COc1ccc(cc1Cl)C#N CSC000189300 [0,2,0,0,0,0|1,0,0]=3 198 B11R1.279 COc1ccc(cc1F)C#N CSC011216750 [0,2,0,0,0,0|1,0,0]=3 199 B11R1.279 COc1ccc(cc1I)C#N CSC010089744 [0,2,0,0,0,0|1,0,0]=3 200 B11R1.19 CS(=O)(=O)c1ccc(cc1)Br CSC000765142 [0,2,0,0,0,0|1,1,0]=4 201 B11R1.19 CS(=O)(=O)c1ccc(cc1)Cl CSC000181825 [0,2,0,0,0,0|1,1,0]=4 202 B11R1.19 CS(=O)(=O)c1ccc(cc1)O CSC000230201 [0,2,0,0,0,0|0,1,0]=3 203 B11R1.19 Cc1ccc(cc1)S(=O)(=O)C CSC000036735 [0,2,0,0,0,0|1,1,0]=4 204 B11R1.166 NC(=O)c1ccc(cc1O)O CSC011933943 [0,2,0,0,0,0|2,0,0]=4 205 B11R1.37 CNc1cc(ccc1OC)C CSC000220787 [0,2,0,0,0,0|1,0,0]=3 206 B11R1.37 COc1ccc(cc1C#N)Br CSC000188252 [0,2,0,0,0,0|1,0,0]=3 207 B11R1.37 COc1ccc(cc1OC)C CSC000171720 [0,2,0,0,0,0|1,0,0]=3 208 B11R1.37 COc1ccc(cc1OC)Cl CSC000739261 [0,2,0,0,0,0|1,0,0]=3 209 B11R1.277 COc1cc(c(cc1Br)Cl)F CSC010062399 [0,2,0,0,0,0|1,0,0]=3 210 B11R1.277 COc1cc(c(cc1Cl)Br)F CSC012355545 [0,2,0,0,0,0|1,0,0]=3 211 B11R1.277 COc1cc(c(cc1Cl)Cl)Cl CSC000149755 [0,2,0,0,0,0|1,0,0]=3 212 B11R1.464 CNc1c(cc(cc1C)C)C CSC011806176 [0,2,0,0,0,0|2,0,0]=4 213 B11R1.464 COc1c(cc(cc1Br)Br)Br CSC009813136 [0,2,0,0,0,0|1,0,0]=3 214 B11R1.464 COc1c(cc(cc1Br)Cl)Cl CSC000243813 [0,2,0,0,0,0|1,0,0]=3 215 B11R1.464 COc1c(cc(cc1Br)F)F CSC009813607 [0,2,0,0,0,0|1,0,0]=3 216 B11R1.464 COc1c(cc(cc1Cl)Cl)Cl CSC000028911 [0,2,0,0,0,0|1,0,0]=3 217 B11R1.14 COc1cc(c(c(c1)C)Br)C CSC012160682 [0,2,0,0,0,0|1,0,0]=3 218 B10R1.2 CNc1cccc(c1C)Cl CSC000220383 [1,2,0,0,0,0|1,0,0]=4 219 B10R1.2 CNc1cccc(c1F)F CSC011410080 [1,2,0,0,0,0|1,0,0]=4 220 B10R1.2 COc1cccc(c1Br)C CSC010191535 [1,2,0,0,0,0|0,0,0]=3 221 B10R1.2 COc1cccc(c1C)Cl CSC000038763 [1,2,0,0,0,0|0,0,0]=3 222 B10R1.2 COc1cccc(c1Cl)Cl CSC000005874 [1,2,0,0,0,0|0,0,0]=3 223 B10R1.2 COc1cccc(c1F)C CSC012000584 [1,2,0,0,0,0|0,0,0]=3 224 B10R1.2 COc1cccc(c1F)Cl CSC000035491 [1,2,0,0,0,0|0,0,0]=3 225 B10R1.2 COc1cccc(c1F)F CSC000034306 [1,2,0,0,0,0|0,0,0]=3 226 B10R1.2 COc1cccc(c1I)F CSC000041735 [1,2,0,0,0,0|0,0,0]=3 227 B10R1.8 CNc1cc(cc(c1)F)F CSC011233154 [1,2,0,0,0,0|1,0,0]=4 228 B10R1.8 COc1cc(cc(c1)Br)Cl CSC010232472 [1,2,0,0,0,0|0,0,0]=3 229 B10R1.8 COc1cc(cc(c1)Br)F CSC011934182 [1,2,0,0,0,0|0,0,0]=3 230 B10R1.8 COc1cc(cc(c1)Cl)Cl CSC000006878 [1,2,0,0,0,0|0,0,0]=3 231 B10R1.8 COc1cc(cc(c1)Cl)F CSC000035575 [1,2,0,0,0,0|0,0,0]=3 232 B10R1.8 COc1cc(cc(c1)F)F CSC000763127 [1,2,0,0,0,0|0,0,0]=3 233 B10R1.10 CCOc1cccc(c1)Cl CSC000170019 [1,2,0,0,0,0|0,0,0]=3 234 B10R1.10 CCOc1cccc(c1)F CSC000170038 [1,2,0,0,0,0|0,0,0]=3 235 B10R1.10 CCSc1cccc(c1)C CSC000055746 [1,2,0,0,0,0|0,1,0]=4 236 B10R1.10 CCSc1cccc(c1)Cl CSC000059004 [1,2,0,0,0,0|0,1,0]=4 237 B10R1.10 CCSc1cccc(c1)F CSC000106542 [1,2,0,0,0,0|0,1,0]=4 238 B10R1.10 CSCc1cccc(c1)Cl CSC000051353 [1,2,0,0,0,0|0,1,0]=4 239 B10R1.10 CSCc1cccc(c1)F CSC000053058 [1,2,0,0,0,0|0,1,0]=4 240 B10R1.30 COc1cc(ccc1Br)C CSC010200004 [1,2,0,0,0,0|0,0,0]=3 241 B10R1.30 COc1cc(ccc1Br)Cl CSC009814061 [1,2,0,0,0,0|0,0,0]=3 242 B10R1.30 COc1cc(ccc1C)Br CSC011830276 [1,2,0,0,0,0|0,0,0]=3 243 B10R1.30 COc1cc(ccc1C)Cl CSC011219340 [1,2,0,0,0,0|0,0,0]=3 244 B10R1.30 COc1cc(ccc1C)F CSC011219959 [1,2,0,0,0,0|0,0,0]=3 245 B10R1.30 COc1cc(ccc1Cl)Br CSC000742348 [1,2,0,0,0,0|0,0,0]=3 246 B10R1.30 COc1cc(ccc1Cl)C CSC000170852 [1,2,0,0,0,0|0,0,0]=3 247 B10R1.30 COc1cc(ccc1Cl)Cl CSC000170754 [1,2,0,0,0,0|0,0,0]=3 248 B10R1.30 COc1cc(ccc1F)Br CSC011934186 [1,2,0,0,0,0|0,0,0]=3 249 B10R1.30 COc1cc(ccc1F)C CSC011217910 [1,2,0,0,0,0|0,0,0]=3 250 B10R1.30 COc1cc(ccc1F)F CSC011214905 [1,2,0,0,0,0|0,0,0]=3 251 B10R1.30 CSc1cc(ccc1C)C CSC000001074 [1,2,0,0,0,0|0,1,0]=4 252 B10R1.30 CSc1cc(ccc1Cl)Cl CSC000001111 [1,2,0,0,0,0|0,1,0]=4 253 B10R1.172 COc1cccc(c1)SC CSC000044647 [1,2,0,0,0,0|0,0,0]=3 254 B10R1.28 CS(=O)(=O)c1ccccc1 CSC000685546 [1,2,0,0,0,0|0,1,0]=4 255 B10R1.61 CS(=O)c1ccccc1F CSC011216808 [1,2,0,0,0,0|0,1,0]=4 256 B10R1.4 CCNc1ccccc1Cl CSC000219383 [1,2,0,0,0,0|1,0,0]=4 257 B10R1.4 CCOc1ccccc1Cl CSC000169953 [1,2,0,0,0,0|0,0,0]=3 258 B10R1.4 CCOc1ccccc1F CSC000172994 [1,2,0,0,0,0|0,0,0]=3 259 B10R1.4 CCSc1ccccc1C CSC000053911 [1,2,0,0,0,0|0,1,0]=4 260 B10R1.4 CCSc1ccccc1Cl CSC000006683 [1,2,0,0,0,0|0,1,0]=4 261 B10R1.4 CSCc1ccccc1Br CSC000148299 [1,2,0,0,0,0|0,1,0]=4 262 B10R1.4 CSCc1ccccc1Cl CSC000051354 [1,2,0,0,0,0|0,1,0]=4 263 B10R1.17 C#CCSc1ccccc1 CSC000172648 [1,2,0,0,0,0|0,1,0]=4 264 B10R1.17 C=CCSc1ccccc1 CSC000006400 [1,2,0,0,0,0|0,1,0]=4 265 B10R1.17 CCCSc1ccccc1 CSC000005822 [1,2,0,0,0,0|0,1,0]=4 266 B10R1.17 CCSCc1ccccc1 CSC000006444 [1,2,0,0,0,0|0,1,0]=4 267 B10R1.17 COCSc1ccccc1 CSC000000817 [1,2,0,0,0,0|0,0,0]=3 268 B10R1.17 OCCSc1ccccc1 CSC000230494 [1,2,0,0,0,0|0,1,0]=4 269 B10R1.18 CS(=O)Cc1ccccc1 CSC000064350 [1,2,0,0,0,0|0,1,0]=4 270 B10R1.20 COc1ccccc1SC CSC000037525 [1,2,0,0,0,0|0,0,0]=3 271 B10R1.20 CSc1ccccc1C#N CSC011217975 [1,2,0,0,0,0|0,1,0]=4 272 B10R1.245 CNc1c(cccc1F)F CSC000220993 [1,2,0,0,0,0|1,0,0]=4 273 B10R1.245 COc1c(cccc1Br)Br CSC009815442 [1,2,0,0,0,0|0,0,0]=3 274 B10R1.245 COc1c(cccc1Cl)Cl CSC000006293 [1,2,0,0,0,0|0,0,0]=3 275 B10R1.245 COc1c(cccc1Cl)F CSC000036530 [1,2,0,0,0,0|0,0,0]=3 276 B10R1.245 COc1c(cccc1F)F CSC000031912 [1,2,0,0,0,0|0,0,0]=3 277 B10R1.245 CSc1c(cccc1Cl)Cl CSC000000219 [1,2,0,0,0,0|0,1,0]=4 278 B12R1.1 CCCCOc1ccc(cc1)Br CSC011212269 [0,3,0,0,0,0|1,0,0]=4 279 B12R1.1 CCCCOc1ccc(cc1)C CSC011212278 [0,3,0,0,0,0|1,0,0]=4 280 B12R1.1 CCCCOc1ccc(cc1)Cl CSC000237964 [0,3,0,0,0,0|1,0,0]=4 281 B12R1.1 CCCCOc1ccc(cc1)I CSC000230682 [0,3,0,0,0,0|1,0,0]=4 282 B12R1.1 COCCSc1ccc(cc1)C CSC000022196 [0,3,0,0,0,0|1,0,0]=4 283 B12R1.1 COCCSc1ccc(cc1)Cl CSC000022191 [0,3,0,0,0,0|1,0,0]=4 284 B12R1.16 CCOC(=O)c1ccc(cc1)Br CSC000169895 [0,3,0,0,0,0|1,0,0]=4 285 B12R1.16 CCOC(=O)c1ccc(cc1)Cl CSC000169919 [0,3,0,0,0,0|1,0,0]=4 286 B12R1.16 CCOC(=O)c1ccc(cc1)F CSC000169906 [0,3,0,0,0,0|1,0,0]=4 287 B12R1.16 CCOC(=O)c1ccc(cc1)I CSC000170077 [0,3,0,0,0,0|1,0,0]=4 288 B12R1.21 CC(=O)COc1ccc(cc1)Cl CSC000150450 [0,3,0,0,0,0|1,0,0]=4 289 B12R1.21 CC(C)COc1ccc(cc1)Br CSC000169949 [0,3,0,0,0,0|1,0,0]=4 290 B12R1.21 NC(=O)COc1ccc(cc1)Br CSC000150415 [0,3,0,0,0,0|1,0,0]=4 291 B12R1.21 NC(=O)COc1ccc(cc1)Cl CSC000150449 [0,3,0,0,0,0|1,0,0]=4 292 B12R1.21 NC(=O)COc1ccc(cc1)F CSC000150549 [0,3,0,0,0,0|1,0,0]=4 293 B12R1.21 OC(=O)COc1ccc(cc1)Br CSC000182358 [0,3,0,0,0,0|1,0,0]=4 294 B12R1.49 CCC(=O)Nc1ccc(cc1)O CSC000243810 [0,3,0,0,0,0|1,0,0]=4 295 B12R1.49 CCC(=O)Oc1ccc(cc1)Br CSC009811598 [0,3,0,0,0,0|1,0,0]=4 296 B12R1.49 CCC(=O)Oc1ccc(cc1)Cl CSC000001868 [0,3,0,0,0,0|1,0,0]=4 297 B12R1.49 COC(=O)Cc1ccc(cc1)Br CSC000149743 [0,3,0,0,0,0|1,0,0]=4 298 B12R1.49 COC(=O)Cc1ccc(cc1)C CSC000204387 [0,3,0,0,0,0|1,0,0]=4 299 B12R1.49 COC(=O)Cc1ccc(cc1)F CSC000148989 [0,3,0,0,0,0|1,0,0]=4 300 B12R1.49 COC(=O)Cc1ccc(cc1)I CSC012356276 [0,3,0,0,0,0|1,0,0]=4 301 B12R1.49 COC(=O)Cc1ccc(cc1)O CSC000211648 [0,3,0,0,0,0|0,0,0]=3 302 B12R1.69 CCCOc1ccc(cc1Br)C CSC000186539 [0,3,0,0,0,0|1,0,0]=4 303 B12R1.69 CCCOc1ccc(cc1Br)Cl CSC000171686 [0,3,0,0,0,0|1,0,0]=4 304 B12R1.69 CCCOc1ccc(cc1Br)F CSC000171698 [0,3,0,0,0,0|1,0,0]=4 305 B12R1.69 CCCOc1ccc(cc1C)Br CSC000186540 [0,3,0,0,0,0|1,0,0]=4 306 B12R1.69 CCCOc1ccc(cc1Cl)Br CSC009811537 [0,3,0,0,0,0|1,0,0]=4 307 B12R1.69 CCCOc1ccc(cc1F)Br CSC009811878 [0,3,0,0,0,0|1,0,0]=4 308 B12R1.69 Cc1cc(ccc1OCC=C)Br CSC011308933 [0,3,0,0,0,0|1,0,0]=4 309 B12R1.69 Cc1ccc(c(c1)Br)OCC=C CSC000241584 [0,3,0,0,0,0|1,0,0]=4 310 B12R1.69 Clc1cc(ccc1OCC=C)Br CSC009811538 [0,3,0,0,0,0|1,0,0]=4 311 B12R1.69 Clc1ccc(c(c1)Br)OCC#N CSC000171685 [0,3,0,0,0,0|1,0,0]=4 312 B12R1.69 Clc1ccc(c(c1)Br)OCC=C CSC000172271 [0,3,0,0,0,0|1,0,0]=4 313 B12R1.69 Clc1ccc(c(c1)Cl)OCC=C CSC000006397 [0,3,0,0,0,0|1,0,0]=4 314 B12R1.69 Fc1cc(ccc1OCC#N)Br CSC000171754 [0,3,0,0,0,0|1,0,0]=4 315 B12R1.69 Fc1cc(ccc1OCC#N)Cl CSC011212616 [0,3,0,0,0,0|1,0,0]=4 316 B12R1.69 Fc1cc(ccc1OCC=C)Br CSC000172283 [0,3,0,0,0,0|1,0,0]=4 317 B12R1.69 Fc1ccc(c(c1)Br)OCC#N CSC000171697 [0,3,0,0,0,0|1,0,0]=4 318 B12R1.69 Fc1ccc(c(c1)Br)OCC=C CSC000172273 [0,3,0,0,0,0|1,0,0]=4 319 B12R1.69 Fc1ccc(c(c1)Cl)OCC#N CSC000169460 [0,3,0,0,0,0|1,0,0]=4 320 B12R1.69 OCCOc1ccc(cc1Cl)Cl CSC000205304 [0,3,0,0,0,0|1,0,0]=4 321 B12R1.71 C=CCOc1ccc(cc1)C#N CSC000172076 [0,3,0,0,0,0|1,0,0]=4 322 B12R1.71 CCCOc1ccc(cc1)OC CSC000005956 [0,3,0,0,0,0|0,0,0]=3 323 B12R1.71 CCCSc1ccc(cc1)OC CSC000021480 [0,3,0,0,0,0|0,1,0]=4 324 B12R1.71 COc1ccc(cc1)OCCO CSC011305860 [0,3,0,0,0,0|0,0,0]=3 325 B12R1.71 COc1ccc(cc1)SCCO CSC000230841 [0,3,0,0,0,0|0,0,0]=3 326 B12R1.71 OCCOc1ccc(cc1)C#N CSC000230533 [0,3,0,0,0,0|1,0,0]=4 327 B12R1.71 OCCOc1ccc(cc1)CO CSC011232690 [0,3,0,0,0,0|0,0,0]=3 328 B12R1.385 Cc1cc(ccc1Br)OCC=C CSC012348113 [0,3,0,0,0,0|1,0,0]=4 329 B12R1.385 Cc1cc(ccc1Cl)OCCO CSC000230593 [0,3,0,0,0,0|1,0,0]=4 330 B12R1.385 Clc1ccc(cc1Cl)OCC#N CSC000169462 [0,3,0,0,0,0|1,0,0]=4 331 B12R1.4 CC(C)Oc1ccc(cc1)C#N CSC000170013 [0,3,0,0,0,0|1,0,0]=4 332 B12R1.4 COc1ccc(cc1)CC(=O)N CSC000162232 [0,3,0,0,0,0|0,0,1]=4 333 B12R1.4 COc1ccc(cc1)OC(=O)C CSC000002274 [0,3,0,0,0,0|0,0,0]=3 334 B12R1.4 COc1ccc(cc1)SC(C)C CSC000019069 [0,3,0,0,0,0|0,1,0]=4 335 B12R1.19 CC(=O)Nc1ccc(c(c1)C)O CSC012186693 [0,3,0,0,0,0|1,0,0]=4 336 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)O CSC011215158 [0,3,0,0,0,0|1,0,0]=4 337 B12R1.19 CC(=O)Oc1ccc(c(c1)C)C CSC000002428 [0,3,0,0,0,0|1,0,0]=4 338 B12R1.19 CC(=O)Oc1ccc(c(c1)Cl)Cl CSC000002395 [0,3,0,0,0,0|1,0,0]=4 339 B12R1.19 CC(=O)Oc1ccc(c(c1)F)Cl CSC010725880 [0,3,0,0,0,0|1,0,0]=4 340 B12R1.19 CC(C)Oc1ccc(c(c1)C)Br CSC012344556 [0,3,0,0,0,0|1,0,0]=4 341 B12R1.19 CC(C)Oc1ccc(c(c1)F)Br CSC012236954 [0,3,0,0,0,0|1,0,0]=4 342 B12R1.19 CC(C)Oc1ccc(c(c1)F)Cl CSC013092442 [0,3,0,0,0,0|1,0,0]=4 343 B12R1.19 CC(C)Oc1ccc(c(c1)F)F CSC000024518 [0,3,0,0,0,0|1,0,0]=4 344 B12R1.20 CN(C(=O)C)c1ccc(cc1)O CSC000743460 [0,3,0,0,0,0|1,0,0]=4 345 B12R1.233 CC(C)Oc1ccc(cc1Br)Cl CSC009811875 [0,3,0,0,0,0|1,0,0]=4 346 B12R1.233 CC(C)Oc1ccc(cc1Br)F CSC000171696 [0,3,0,0,0,0|1,0,0]=4 347 B12R1.233 CC(C)Oc1ccc(cc1Cl)F CSC000005861 [0,3,0,0,0,0|1,0,0]=4 348 B12R1.233 CC(C)Oc1ccc(cc1F)Br CSC009811877 [0,3,0,0,0,0|1,0,0]=4 349 B12R1.5 CCC(=O)c1ccc(cc1)OC CSC000170455 [0,3,0,0,0,0|0,0,1]=4 350 B12R1.5 CCc1ccc(cc1)C(=O)OC CSC000149224 [0,3,0,0,0,0|1,0,0]=4 351 B12R1.5 CNC(=O)c1ccc(cc1)CO CSC000159720 [0,3,0,0,0,0|1,0,0]=4 352 B12R1.5 CNC(=O)c1ccc(cc1)OC CSC000159827 [0,3,0,0,0,0|0,0,1]=4 353 B12R1.5 CNc1ccc(cc1)C(=O)OC CSC000220287 [0,3,0,0,0,0|1,0,0]=4 354 B12R1.5 COC(=O)c1ccc(cc1)C#N CSC000148855 [0,3,0,0,0,0|1,0,0]=4 355 B12R1.5 COC(=O)c1ccc(cc1)C=C CSC000061247 [0,3,0,0,0,0|1,0,0]=4 356 B12R1.5 COC(=O)c1ccc(cc1)CO CSC000151488 [0,3,0,0,0,0|0,0,0]=3 357 B12R1.5 COC(=O)c1ccc(cc1)OC CSC000150779 [0,3,0,0,0,0|0,0,0]=3 358 B12R1.5 COC(=O)c1ccc(cc1)SC CSC000175311 [0,3,0,0,0,0|0,1,0]=4 359 B12R1.5 COC(=O)c1ccc(nc1)OC CSC000181318 [0,3,0,0,0,0|1,0,0]=4 360 B12R1.367 COC(=O)c1ccc(c(c1)Br)Cl CSC012356255 [0,3,0,0,0,0|1,0,0]=4 361 B12R1.367 COC(=O)c1ccc(c(c1)Br)F CSC000722584 [0,3,0,0,0,0|1,0,0]=4 362 B12R1.367 COC(=O)c1ccc(c(c1)Br)I CSC011294788 [0,3,0,0,0,0|1,0,0]=4 363 B12R1.367 COC(=O)c1ccc(c(c1)C)Br CSC011215878 [0,3,0,0,0,0|1,0,0]=4 364 B12R1.367 COC(=O)c1ccc(c(c1)C)C CSC000149473 [0,3,0,0,0,0|1,0,0]=4 365 B12R1.367 COC(=O)c1ccc(c(c1)C)Cl CSC011217186 [0,3,0,0,0,0|1,0,0]=4 366 B12R1.367 COC(=O)c1ccc(c(c1)C)F CSC000698631 [0,3,0,0,0,0|1,0,0]=4 367 B12R1.367 COC(=O)c1ccc(c(c1)C)O CSC011997373 [0,3,0,0,0,0|0,0,0]=3 368 B12R1.367 COC(=O)c1ccc(c(c1)Cl)Br CSC012359697 [0,3,0,0,0,0|1,0,0]=4 369 B12R1.367 COC(=O)c1ccc(c(c1)Cl)C CSC011219533 [0,3,0,0,0,0|1,0,0]=4 370 B12R1.367 COC(=O)c1ccc(c(c1)Cl)F CSC011997363 [0,3,0,0,0,0|1,0,0]=4 371 B12R1.367 COC(=O)c1ccc(c(c1)Cl)I CSC012356344 [0,3,0,0,0,0|1,0,0]=4 372 B12R1.367 COC(=O)c1ccc(c(c1)Cl)N CSC000704683 [0,3,0,0,0,0|1,0,0]=4 373 B12R1.367 COC(=O)c1ccc(c(c1)F)Br CSC000703229 [0,3,0,0,0,0|1,0,0]=4 374 B12R1.367 COC(=O)c1ccc(c(c1)F)C CSC000216653 [0,3,0,0,0,0|1,0,0]=4 375 B12R1.367 COC(=O)c1ccc(c(c1)F)Cl CSC011216032 [0,3,0,0,0,0|1,0,0]=4 376 B12R1.367 COC(=O)c1ccc(c(c1)F)F CSC000194019 [0,3,0,0,0,0|1,0,0]=4 377 B12R1.367 COC(=O)c1ccc(c(c1)F)I CSC000062896 [0,3,0,0,0,0|1,0,0]=4 378 B12R1.367 COC(=O)c1ccc(c(c1)I)C CSC011218856 [0,3,0,0,0,0|1,0,0]=4 379 B12R1.367 COC(=O)c1ccc(c(c1)I)Cl CSC011294800 [0,3,0,0,0,0|1,0,0]=4 380 B12R1.367 COC(=O)c1ccc(c(c1)I)F CSC012361652 [0,3,0,0,0,0|1,0,0]=4 381 B12R1.367 COC(=O)c1ccc(c(c1)N)Br CSC011450966 [0,3,0,0,0,0|1,0,0]=4 382 B12R1.367 COC(=O)c1ccc(c(c1)N)I CSC011290891 [0,3,0,0,0,0|1,0,0]=4 383 B12R1.367 COC(=O)c1ccc(c(c1)O)Br CSC011934688 [0,3,0,0,0,0|1,0,0]=4 384 B12R1.367 COC(=O)c1ccc(c(c1)O)C CSC000736511 [0,3,0,0,0,0|1,0,0]=4 385 B12R1.1703 COC(=O)c1ccc(cc1Br)Br CSC012357387 [0,3,0,0,0,0|1,0,0]=4 386 B12R1.1703 COC(=O)c1ccc(cc1Br)C CSC012340597 [0,3,0,0,0,0|1,0,0]=4 387 B12R1.1703 COC(=O)c1ccc(cc1Br)Cl CSC012359205 [0,3,0,0,0,0|1,0,0]=4 388 B12R1.1703 COC(=O)c1ccc(cc1Br)F CSC000204356 [0,3,0,0,0,0|1,0,0]=4 389 B12R1.1703 COC(=O)c1ccc(cc1C)C CSC000149307 [0,3,0,0,0,0|1,0,0]=4 390 B12R1.1703 COC(=O)c1ccc(cc1C)Cl CSC012000500 [0,3,0,0,0,0|1,0,0]=4 391 B12R1.1703 COC(=O)c1ccc(cc1C)F CSC011997371 [0,3,0,0,0,0|1,0,0]=4 392 B12R1.1703 COC(=O)c1ccc(cc1Cl)C CSC012179639 [0,3,0,0,0,0|1,0,0]=4 393 B12R1.1703 COC(=O)c1ccc(cc1Cl)Cl CSC000150782 [0,3,0,0,0,0|1,0,0]=4 394 B12R1.1703 COC(=O)c1ccc(cc1Cl)F CSC000149744 [0,3,0,0,0,0|1,0,0]=4 395 B12R1.1703 COC(=O)c1ccc(cc1Cl)I CSC000060724 [0,3,0,0,0,0|1,0,0]=4 396 B12R1.1703 COC(=O)c1ccc(cc1F)C CSC000697821 [0,3,0,0,0,0|1,0,0]=4 397 B12R1.1703 COC(=O)c1ccc(cc1F)Cl CSC000216677 [0,3,0,0,0,0|1,0,0]=4 398 B12R1.1703 COC(=O)c1ccc(cc1F)F CSC000149155 [0,3,0,0,0,0|1,0,0]=4 399 B12R1.1703 COC(=O)c1ccc(cc1F)I CSC010244672 [0,3,0,0,0,0|1,0,0]=4 400 B12R1.1703 COC(=O)c1ccc(cc1F)N CSC000688129 [0,3,0,0,0,0|1,0,0]=4 401 B12R1.1703 COC(=O)c1ccc(cc1F)O CSC011999631 [0,3,0,0,0,0|0,0,0]=3 402 B12R1.1703 COC(=O)c1ccc(cc1N)Cl CSC000170103 [0,3,0,0,0,0|1,0,0]=4 403 B12R1.1703 COC(=O)c1ccc(cc1N)F CSC000740600 [0,3,0,0,0,0|1,0,0]=4 404 B12R1.1703 COC(=O)c1ccc(cc1N)I CSC010172136 [0,3,0,0,0,0|1,0,0]=4 405 B12R1.1703 COC(=O)c1ccc(cc1O)F CSC011216117 [0,3,0,0,0,0|1,0,0]=4 406 B12R1.112 CCOc1ccc(cc1OC)Br CSC012344064 [0,3,0,0,0,0|1,0,0]=4 407 B12R1.112 CCOc1ccc(cc1OC)C CSC000006307 [0,3,0,0,0,0|1,0,0]=4 408 B12R1.114 CCOc1ccc(cc1Cl)C#N CSC000189308 [0,3,0,0,0,0|1,0,0]=4 409 B12R1.1095 CCOc1c(cc(cc1Br)F)F CSC010078526 [0,3,0,0,0,0|1,0,0]=4 410 B12R1.1123 CCOc1cc(c(cc1Cl)Cl)Cl CSC000149756 [0,3,0,0,0,0|1,0,0]=4 411 B12R1.113 CCOc1ccc(cc1)[N+](=O)[O-] CSC000005800 [0,3,0,0,0,0|0,0,1]=4 412 B12R1.116 CCOc1ccc(cc1)CCO CSC011217992 [0,3,0,0,0,0|0,0,0]=3 413 B12R1.116 CCOc1ccc(cc1)OCC CSC000170733 [0,3,0,0,0,0|0,0,0]=3 414 B12R1.288 CCOc1ccc(c(c1)F)C#N CSC011935577 [0,3,0,0,0,0|1,0,0]=4 415 B12R1.288 CNCc1ccc(c(c1)O)OC CSC000188468 [0,3,0,0,0,0|1,0,0]=4 416 B12R1.6 COc1ccc(cc1)C(C)(C)O CSC000744786 [0,3,0,0,0,0|0,0,0]=3 417 B12R1.6 CS(=O)(=O)c1ccc(cc1)CO CSC000728255 [0,3,0,0,0,0|0,1,0]=4 418 B12R1.48 COc1ccc(cc1Br)C(=O)N CSC000206422 [0,3,0,0,0,0|0,0,1]=4 419 B12R1.48 COc1ccc(cc1Br)[N+](=O)[O-] CSC011217902 [0,3,0,0,0,0|0,0,1]=4 420 B12R1.48 COc1ccc(cc1C)C(=O)C CSC000693588 [0,3,0,0,0,0|0,0,1]=4 421 B12R1.48 COc1ccc(cc1C)[N+](=O)[O-] CSC000068493 [0,3,0,0,0,0|0,0,1]=4 422 B12R1.48 COc1ccc(cc1Cl)[N+](=O)[O-] CSC000000864 [0,3,0,0,0,0|0,0,1]=4 423 B12R1.48 COc1ccc(cc1F)[N+](=O)[O-] CSC000036518 [0,3,0,0,0,0|0,0,1]=4 424 B12R1.48 COc1ccc(cc1I)C(=O)N CSC010363828 [0,3,0,0,0,0|0,0,1]=4 425 B12R1.452 COc1ccc(c(c1)Br)C(=O)N CSC009815664 [0,3,0,0,0,0|0,0,1]=4 426 B12R1.452 COc1ccc(c(c1)C)C(=O)N CSC009868328 [0,3,0,0,0,0|0,0,1]=4 427 B12R1.452 COc1ccc(c(c1)F)C(=O)C CSC000211433 [0,3,0,0,0,0|0,0,1]=4 428 B12R1.452 COc1ccc(c(c1)F)C(=O)N CSC000198184 [0,3,0,0,0,0|0,0,1]=4 429 B12R1.452 COc1ccc(c(c1)F)[N+](=O)[O-] CSC011299423 [0,3,0,0,0,0|0,0,1]=4 430 B12R1.78 CCc1ccc(c(c1)OC)OC CSC000076490 [0,3,0,0,0,0|1,0,0]=4 431 B12R1.78 COc1ccc(c(c1)OC)C#N CSC000188243 [0,3,0,0,0,0|1,0,0]=4 432 B12R1.78 COc1ccc(c(c1)OC)OC CSC000036765 [0,3,0,0,0,0|0,0,0]=3 433 B12R1.301 COc1c(cc(cc1Br)C#N)Br CSC009812461 [0,3,0,0,0,0|1,0,0]=4 434 B12R1.301 COc1c(cc(cc1C)C#N)C CSC011934316 [0,3,0,0,0,0|1,0,0]=4 435 B12R1.46 COc1ccc(cc1C(=O)C)Br CSC000173343 [0,3,0,0,0,0|1,0,0]=4 436 B12R1.46 COc1ccc(cc1C(=O)N)Br CSC000215694 [0,3,0,0,0,0|1,0,0]=4 437 B12R1.46 COc1ccc(cc1C(=O)N)Cl CSC000162310 [0,3,0,0,0,0|1,0,0]=4 438 B12R1.46 COc1ccc(cc1[N+](=O)[O-])Br CSC000176053 [0,3,0,0,0,0|1,0,0]=4 439 B12R1.46 COc1ccc(cc1[N+](=O)[O-])C CSC000016935 [0,3,0,0,0,0|1,0,0]=4 440 B12R1.46 COc1ccc(cc1[N+](=O)[O-])Cl CSC000156018 [0,3,0,0,0,0|1,0,0]=4 441 B12R1.46 COc1ccc(cc1[N+](=O)[O-])F CSC000002536 [0,3,0,0,0,0|1,0,0]=4 442 B12R1.46 COc1ccc(cc1[N+](=O)[O-])I CSC011290888 [0,3,0,0,0,0|1,0,0]=4 443 B12R1.268 CCNc1cc(ccc1OC)C CSC000220794 [0,3,0,0,0,0|1,0,0]=4 444 B12R1.268 CCNc1cc(ccc1OC)Cl CSC000220280 [0,3,0,0,0,0|1,0,0]=4 445 B12R1.268 CCOc1cc(ccc1OC)Br CSC010219349 [0,3,0,0,0,0|1,0,0]=4 446 B12R1.453 COc1ccc(c(c1)C(=O)N)Br CSC000162014 [0,3,0,0,0,0|1,0,0]=4 447 B12R1.453 COc1ccc(c(c1)[N+](=O)[O-])C CSC000042805 [0,3,0,0,0,0|1,0,0]=4 448 B12R1.453 COc1ccc(c(c1)[N+](=O)[O-])Cl CSC000181342 [0,3,0,0,0,0|1,0,0]=4 449 B12R2.44 COc1ccc2c(c1)OCO2 CSC000005814 [0,2,0,1,0,0|0,0,0]=3