0 B10R1.1 CCNc1ccc(cc1)Cl CSC000220165 [0,0,0,0,0,0|2,0,0]=2 1 B10R1.1 CCNc1ccc(cn1)Br CSC000741496 [0,0,0,0,0,0|3,0,0]=3 2 B10R1.1 CCNc1ncc(cn1)Cl CSC012056716 [0,0,0,0,0,0|4,0,0]=4 3 B10R1.1 CCNc1ncc(cn1)F CSC012056714 [0,0,0,0,0,0|4,0,0]=4 4 B10R1.1 CCOc1ccc(cc1)Br CSC000169946 [0,0,0,0,0,0|1,0,0]=1 5 B10R1.1 CCOc1ccc(cc1)Cl CSC000169960 [0,0,0,0,0,0|1,0,0]=1 6 B10R1.1 CCOc1ccc(cc1)I CSC000171712 [0,0,0,0,0,0|1,0,0]=1 7 B10R1.1 CCSc1ccc(cc1)Br CSC009811893 [0,0,0,0,0,0|1,1,0]=2 8 B10R1.1 CCSc1ccc(cc1)C CSC000006686 [0,0,0,0,0,0|1,1,0]=2 9 B10R1.1 CCSc1ccc(cc1)Cl CSC000005996 [0,0,0,0,0,0|1,1,0]=2 10 B10R1.1 CCSc1ccc(cc1)F CSC000006007 [0,0,0,0,0,0|1,1,0]=2 11 B10R1.1 CCSc1ncc(cn1)C CSC000048305 [0,0,0,0,0,0|3,1,0]=4 12 B10R1.1 CSCc1ccc(cc1)C CSC000051358 [0,0,0,0,0,0|3,0,0]=3 13 B10R1.1 CSCc1ccc(cc1)Cl CSC000000312 [0,0,0,0,0,0|3,0,0]=3 14 B10R1.1 CSCc1ccc(cc1)F CSC000051356 [0,0,0,0,0,0|3,0,0]=3 15 B9R1.1 CNc1ccc(cc1)Br CSC000219623 [1,0,0,0,0,0|2,0,0]=3 16 B9R1.1 CNc1ccc(cc1)Cl CSC000220157 [1,0,0,0,0,0|2,0,0]=3 17 B9R1.1 COc1ccc(cc1)Br CSC000169945 [1,0,0,0,0,0|1,0,0]=2 18 B9R1.1 COc1ccc(cc1)Cl CSC000169959 [1,0,0,0,0,0|1,0,0]=2 19 B9R1.1 COc1ccc(cc1)I CSC000171711 [1,0,0,0,0,0|1,0,0]=2 20 B9R1.1 CSc1ccc(cc1)Br CSC000149455 [1,0,0,0,0,0|1,1,0]=3 21 B9R1.1 CSc1ccc(cc1)Cl CSC000150468 [1,0,0,0,0,0|1,1,0]=3 22 B9R1.1 CSc1ccc(cc1)F CSC000000078 [1,0,0,0,0,0|1,1,0]=3 23 B9R1.1 CSc1ccc(cc1)O CSC000211864 [1,0,0,0,0,0|0,1,0]=2 24 B9R1.1 CSc1ccc(cn1)Br CSC011408404 [1,0,0,0,0,0|2,1,0]=4 25 B9R1.8 CCSc1ncccn1 CSC000000290 [1,0,0,0,0,0|2,1,0]=4 26 B11R1.1 Brc1ccc(cc1)OCC#N CSC000169425 [0,1,0,0,0,0|1,0,1]=3 27 B11R1.1 Brc1ccc(cc1)OCC=C CSC000172055 [0,1,0,0,0,0|1,0,1]=3 28 B11R1.1 Brc1ccc(cc1)SCC=C CSC009811901 [0,1,0,0,0,0|1,1,1]=4 29 B11R1.1 CCCOc1ccc(cc1)Br CSC000169948 [0,1,0,0,0,0|1,0,0]=2 30 B11R1.1 CCCOc1ccc(cc1)C CSC000169969 [0,1,0,0,0,0|1,0,0]=2 31 B11R1.1 CCCSc1ccc(cc1)Br CSC009811899 [0,1,0,0,0,0|1,1,0]=3 32 B11R1.1 CCCSc1ccc(cc1)C CSC000006743 [0,1,0,0,0,0|1,1,0]=3 33 B11R1.1 CCCSc1ccc(cc1)Cl CSC000005799 [0,1,0,0,0,0|1,1,0]=3 34 B11R1.1 CCCSc1ccc(cc1)F CSC015531415 [0,1,0,0,0,0|1,1,0]=3 35 B11R1.1 CCNCc1ccc(cc1)Br CSC000187385 [0,1,0,0,0,0|2,0,0]=3 36 B11R1.1 CCNCc1ccc(cc1)C CSC000180869 [0,1,0,0,0,0|2,0,0]=3 37 B11R1.1 CCNCc1ccc(cc1)F CSC000189070 [0,1,0,0,0,0|2,0,0]=3 38 B11R1.1 CCSCc1ccc(cc1)Br CSC000173025 [0,1,0,0,0,0|1,1,0]=3 39 B11R1.1 CCSCc1ccc(cc1)C CSC000029035 [0,1,0,0,0,0|1,1,0]=3 40 B11R1.1 CCSCc1ccc(cc1)Cl CSC000006432 [0,1,0,0,0,0|1,1,0]=3 41 B11R1.1 CCSCc1ccc(cc1)F CSC000044549 [0,1,0,0,0,0|1,1,0]=3 42 B11R1.1 Cc1ccc(cc1)NCC#C CSC000219994 [0,1,0,0,0,0|2,0,1]=4 43 B11R1.1 Cc1ccc(cc1)NCCO CSC011233175 [0,1,0,0,0,0|2,0,0]=3 44 B11R1.1 Cc1ccc(cc1)OCC=C CSC000172063 [0,1,0,0,0,0|1,0,1]=3 45 B11R1.1 Cc1ccc(cc1)OCCO CSC011219107 [0,1,0,0,0,0|1,0,0]=2 46 B11R1.1 Cc1ccc(cc1)SCC#N CSC000173268 [0,1,0,0,0,0|1,1,1]=4 47 B11R1.1 Cc1ccc(cc1)SCC=C CSC000006760 [0,1,0,0,0,0|1,1,1]=4 48 B11R1.1 Cc1ccc(cc1)SCCO CSC000230582 [0,1,0,0,0,0|1,1,0]=3 49 B11R1.1 Clc1ccc(cc1)NCC#C CSC000220173 [0,1,0,0,0,0|2,0,1]=4 50 B11R1.1 Clc1ccc(cc1)SCC=C CSC000006393 [0,1,0,0,0,0|1,1,1]=4 51 B11R1.1 Fc1ccc(cc1)SCC=C CSC000006478 [0,1,0,0,0,0|1,1,1]=4 52 B11R1.1 NCCNc1ccc(cn1)Br CSC011214600 [0,1,0,0,0,0|3,0,0]=4 53 B11R1.1 OCCNc1ccc(cc1)Cl CSC011233097 [0,1,0,0,0,0|2,0,0]=3 54 B11R1.1 OCCNc1ccc(cc1)F CSC011233115 [0,1,0,0,0,0|2,0,0]=3 55 B11R1.1 OCCOc1ccc(cc1)Br CSC000686261 [0,1,0,0,0,0|1,0,0]=2 56 B11R1.1 OCCOc1ccc(cc1)Cl CSC000237962 [0,1,0,0,0,0|1,0,0]=2 57 B11R1.1 OCCOc1ccc(cc1)F CSC011305846 [0,1,0,0,0,0|1,0,0]=2 58 B11R1.1 OCCOc1ccc(cc1)I CSC000230681 [0,1,0,0,0,0|1,0,0]=2 59 B11R1.1 OCCSc1ccc(cc1)Cl CSC000230527 [0,1,0,0,0,0|1,1,0]=3 60 B11R1.1 OCCSc1ccc(cc1)F CSC000230679 [0,1,0,0,0,0|1,1,0]=3 61 B11R1.1 OCCSc1ccc(cn1)Cl CSC011219778 [0,1,0,0,0,0|2,1,0]=4 62 B11R1.20 CC(=O)Nc1ccc(cc1)Br CSC000153570 [0,1,0,0,0,0|2,0,1]=4 63 B11R1.20 CC(=O)Nc1ccc(cc1)Cl CSC000154020 [0,1,0,0,0,0|2,0,1]=4 64 B11R1.20 CC(=O)Oc1ccc(cc1)Br CSC009811594 [0,1,0,0,0,0|1,0,1]=3 65 B11R1.20 CC(=O)Oc1ccc(cc1)C CSC000001885 [0,1,0,0,0,0|1,0,1]=3 66 B11R1.20 CC(=O)Oc1ccc(cc1)Cl CSC000001863 [0,1,0,0,0,0|1,0,1]=3 67 B11R1.20 CC(=O)Oc1ccc(cc1)F CSC000001924 [0,1,0,0,0,0|1,0,1]=3 68 B11R1.20 CC(C)Nc1ccc(cc1)Br CSC000219625 [0,1,0,0,0,0|2,0,0]=3 69 B11R1.20 CC(C)Sc1ccc(cc1)Br CSC009811894 [0,1,0,0,0,0|1,1,0]=3 70 B11R1.20 CC(C)Sc1ccc(cc1)C CSC000006694 [0,1,0,0,0,0|1,1,0]=3 71 B11R1.20 CC(C)Sc1ccc(cc1)Cl CSC000005997 [0,1,0,0,0,0|1,1,0]=3 72 B11R1.20 CC(C)Sc1ccc(cc1)F CSC000006008 [0,1,0,0,0,0|1,1,0]=3 73 B11R1.20 NC(=O)Cc1ccc(cc1)O CSC000020825 [0,1,0,0,0,0|2,0,1]=4 74 B11R1.22 CNC(=O)c1ccc(cc1)C CSC000159850 [0,1,0,0,0,0|3,0,0]=4 75 B11R1.22 CNC(=O)c1ccc(cc1)Cl CSC000159809 [0,1,0,0,0,0|3,0,0]=4 76 B11R1.22 CNC(=O)c1ccc(cc1)F CSC000159806 [0,1,0,0,0,0|3,0,0]=4 77 B11R1.22 COC(=O)c1ccc(cc1)Cl CSC000150334 [0,1,0,0,0,0|3,0,0]=4 78 B11R1.22 COC(=O)c1ccc(cc1)F CSC000150329 [0,1,0,0,0,0|3,0,0]=4 79 B11R1.81 CCNc1ccc(cc1C)Cl CSC000220351 [0,1,0,0,0,0|2,0,0]=3 80 B11R1.81 CCNc1ccc(cc1Cl)Cl CSC000220412 [0,1,0,0,0,0|2,0,0]=3 81 B11R1.81 CCOc1ccc(cc1Br)C CSC000230997 [0,1,0,0,0,0|1,0,0]=2 82 B11R1.81 CCOc1ccc(cc1Br)Cl CSC000171684 [0,1,0,0,0,0|1,0,0]=2 83 B11R1.81 CCOc1ccc(cc1C)Br CSC011308936 [0,1,0,0,0,0|1,0,0]=2 84 B11R1.81 CCOc1ccc(cc1C)C CSC000174096 [0,1,0,0,0,0|1,0,0]=2 85 B11R1.81 CCOc1ccc(cc1Cl)Br CSC000149648 [0,1,0,0,0,0|1,0,0]=2 86 B11R1.81 CCOc1ccc(cc1Cl)Cl CSC000005818 [0,1,0,0,0,0|1,0,0]=2 87 B11R1.81 CCOc1ccc(cc1Cl)F CSC000005860 [0,1,0,0,0,0|1,0,0]=2 88 B11R1.81 CCOc1ccc(cc1F)Br CSC000171753 [0,1,0,0,0,0|1,0,0]=2 89 B11R1.81 CCOc1ccc(cc1F)Cl CSC011212613 [0,1,0,0,0,0|1,0,0]=2 90 B11R1.81 CCSc1ccc(cc1C)C CSC000006292 [0,1,0,0,0,0|1,1,0]=3 91 B11R1.81 CSCc1ccc(cc1Cl)F CSC000051359 [0,1,0,0,0,0|3,0,0]=4 92 B11R1.81 CSCc1ccc(cc1F)F CSC010285496 [0,1,0,0,0,0|3,0,0]=4 93 B11R1.83 CCCc1ccc(cc1)OC CSC000034192 [0,1,0,0,0,0|1,0,0]=2 94 B11R1.83 CCOc1ccc(cc1)CN CSC000185588 [0,1,0,0,0,0|1,0,0]=2 95 B11R1.83 CCOc1ccc(cc1)CO CSC000173027 [0,1,0,0,0,0|0,0,0]=1 96 B11R1.83 CCOc1ccc(cc1)SC CSC000021790 [0,1,0,0,0,0|0,1,0]=2 97 B11R1.83 CCOc1ccc(nc1)CO CSC012645146 [0,1,0,0,0,0|1,0,0]=2 98 B11R1.83 CCSc1ccc(cc1)OC CSC000021481 [0,1,0,0,0,0|0,1,0]=2 99 B11R1.83 CCSc1ccc(cn1)C#N CSC011228066 [0,1,0,0,0,0|2,1,0]=4 100 B11R1.83 COCc1ccc(cc1)SC CSC010272925 [0,1,0,0,0,0|2,1,0]=4 101 B11R1.83 COc1ccc(cc1)CCO CSC011219623 [0,1,0,0,0,0|2,0,0]=3 102 B11R1.83 CSCc1ccc(cc1)SC CSC000051362 [0,1,0,0,0,0|2,1,0]=4 103 B11R1.192 CCNc1ccc(c(c1)C)C CSC000219818 [0,1,0,0,0,0|2,0,0]=3 104 B11R1.192 CCNc1ccc(c(c1)Cl)C CSC000220128 [0,1,0,0,0,0|2,0,0]=3 105 B11R1.192 CCNc1ccc(c(c1)Cl)Cl CSC000219952 [0,1,0,0,0,0|2,0,0]=3 106 B11R1.192 CCOc1ccc(c(c1)C)Br CSC012344538 [0,1,0,0,0,0|1,0,0]=2 107 B11R1.192 CCOc1ccc(c(c1)Cl)Br CSC010081125 [0,1,0,0,0,0|1,0,0]=2 108 B11R1.192 CCOc1ccc(c(c1)Cl)F CSC000006682 [0,1,0,0,0,0|1,0,0]=2 109 B11R1.192 CCOc1ccc(c(c1)F)Cl CSC011216938 [0,1,0,0,0,0|1,0,0]=2 110 B11R1.192 CCOc1ccc(c(c1)F)F CSC000024517 [0,1,0,0,0,0|1,0,0]=2 111 B11R1.192 CCSc1ccc(c(c1)C)C CSC000006256 [0,1,0,0,0,0|1,1,0]=3 112 B11R1.192 CCSc1ccc(c(c1)Cl)Cl CSC010243610 [0,1,0,0,0,0|1,1,0]=3 113 B11R1.192 CCSc1ccc(c(c1)Cl)F CSC000021472 [0,1,0,0,0,0|1,1,0]=3 114 B11R1.192 CNCc1ccc(c(c1)Cl)Cl CSC000184578 [0,1,0,0,0,0|3,0,0]=4 115 B11R1.192 CSCc1ccc(c(c1)Cl)Cl CSC000051355 [0,1,0,0,0,0|3,0,0]=4 116 B11R1.192 CSCc1ccc(c(c1)F)F CSC000053065 [0,1,0,0,0,0|3,0,0]=4 117 B10R1.3 COc1ccc(cc1)SC CSC000007070 [1,1,0,0,0,0|0,1,0]=3 118 B10R1.3 CSc1ccc(cc1)C#N CSC000188601 [1,1,0,0,0,0|1,1,0]=4 119 B10R1.13 CS(=O)c1ccc(cc1)Br CSC009816266 [1,1,0,0,0,0|1,1,0]=4 120 B10R1.13 CS(=O)c1ccc(cc1)Cl CSC000064343 [1,1,0,0,0,0|1,1,0]=4 121 B10R1.13 CS(=O)c1ccc(cc1)F CSC011920622 [1,1,0,0,0,0|1,1,0]=4 122 B10R1.13 CS(=O)c1ccc(cc1)O CSC000064373 [1,1,0,0,0,0|0,1,0]=3 123 B10R1.13 Cc1ccc(cc1)S(=O)C CSC000031592 [1,1,0,0,0,0|1,1,0]=4 124 B10R1.25 CNc1ccc(cc1C)Cl CSC011806183 [1,1,0,0,0,0|2,0,0]=4 125 B10R1.25 CNc1ccc(cc1Cl)Cl CSC000220404 [1,1,0,0,0,0|2,0,0]=4 126 B10R1.25 COc1ccc(cc1Br)Br CSC000170007 [1,1,0,0,0,0|1,0,0]=3 127 B10R1.25 COc1ccc(cc1Br)C CSC000186399 [1,1,0,0,0,0|1,0,0]=3 128 B10R1.25 COc1ccc(cc1Br)F CSC000171694 [1,1,0,0,0,0|1,0,0]=3 129 B10R1.25 COc1ccc(cc1C)Br CSC011219705 [1,1,0,0,0,0|1,0,0]=3 130 B10R1.25 COc1ccc(cc1C)Cl CSC000170507 [1,1,0,0,0,0|1,0,0]=3 131 B10R1.25 COc1ccc(cc1C)F CSC011216167 [1,1,0,0,0,0|1,0,0]=3 132 B10R1.25 COc1ccc(cc1Cl)Br CSC000149647 [1,1,0,0,0,0|1,0,0]=3 133 B10R1.25 COc1ccc(cc1Cl)C CSC011933932 [1,1,0,0,0,0|1,0,0]=3 134 B10R1.25 COc1ccc(cc1Cl)Cl CSC000170024 [1,1,0,0,0,0|1,0,0]=3 135 B10R1.25 COc1ccc(cc1Cl)F CSC000170253 [1,1,0,0,0,0|1,0,0]=3 136 B10R1.25 COc1ccc(cc1F)Cl CSC011218554 [1,1,0,0,0,0|1,0,0]=3 137 B10R1.25 COc1ccc(cc1I)C CSC011263220 [1,1,0,0,0,0|1,0,0]=3 138 B10R1.25 CSc1ccc(cc1C)C CSC000001076 [1,1,0,0,0,0|1,1,0]=4 139 B10R1.25 CSc1ccc(cc1Cl)Cl CSC000076917 [1,1,0,0,0,0|1,1,0]=4 140 B10R1.25 CSc1ccc(cc1F)F CSC000017874 [1,1,0,0,0,0|1,1,0]=4 141 B10R1.176 CNc1ccc(c(c1)Cl)C CSC000220120 [1,1,0,0,0,0|2,0,0]=4 142 B10R1.176 CNc1ccc(c(c1)Cl)Cl CSC000219944 [1,1,0,0,0,0|2,0,0]=4 143 B10R1.176 CNc1ccc(c(c1)F)Br CSC012285320 [1,1,0,0,0,0|2,0,0]=4 144 B10R1.176 COc1ccc(c(c1)Br)C CSC012349166 [1,1,0,0,0,0|1,0,0]=3 145 B10R1.176 COc1ccc(c(c1)Br)Cl CSC011290771 [1,1,0,0,0,0|1,0,0]=3 146 B10R1.176 COc1ccc(c(c1)Br)I CSC012349170 [1,1,0,0,0,0|1,0,0]=3 147 B10R1.176 COc1ccc(c(c1)C)Br CSC000759875 [1,1,0,0,0,0|1,0,0]=3 148 B10R1.176 COc1ccc(c(c1)C)Cl CSC000170508 [1,1,0,0,0,0|1,0,0]=3 149 B10R1.176 COc1ccc(c(c1)C)F CSC011217415 [1,1,0,0,0,0|1,0,0]=3 150 B10R1.176 COc1ccc(c(c1)Cl)Br CSC000730603 [1,1,0,0,0,0|1,0,0]=3 151 B10R1.176 COc1ccc(c(c1)Cl)C CSC000021920 [1,1,0,0,0,0|1,0,0]=3 152 B10R1.176 COc1ccc(c(c1)Cl)Cl CSC000170311 [1,1,0,0,0,0|1,0,0]=3 153 B10R1.176 COc1ccc(c(c1)Cl)F CSC000006738 [1,1,0,0,0,0|1,0,0]=3 154 B10R1.176 COc1ccc(c(c1)F)Br CSC000753793 [1,1,0,0,0,0|1,0,0]=3 155 B10R1.176 COc1ccc(c(c1)F)C CSC011218487 [1,1,0,0,0,0|1,0,0]=3 156 B10R1.176 COc1ccc(c(c1)F)Cl CSC011215935 [1,1,0,0,0,0|1,0,0]=3 157 B10R1.176 COc1ccc(c(c1)F)F CSC000038840 [1,1,0,0,0,0|1,0,0]=3 158 B10R1.176 CSc1ccc(c(c1)C)C CSC000001060 [1,1,0,0,0,0|1,1,0]=4 159 B10R1.176 CSc1ccc(c(c1)Cl)Cl CSC000116842 [1,1,0,0,0,0|1,1,0]=4 160 B10R1.176 CSc1ccc(c(c1)Cl)F CSC000021471 [1,1,0,0,0,0|1,1,0]=4 161 B10R1.4 CCNc1ccccc1Cl CSC000219383 [1,1,0,0,0,0|1,0,0]=3 162 B10R1.4 CCOc1ccccc1Cl CSC000169953 [1,1,0,0,0,0|0,0,0]=2 163 B10R1.4 CCOc1ccccc1F CSC000172994 [1,1,0,0,0,0|0,0,0]=2 164 B10R1.4 CCSc1ccccc1C CSC000053911 [1,1,0,0,0,0|0,1,0]=3 165 B10R1.4 CCSc1ccccc1Cl CSC000006683 [1,1,0,0,0,0|0,1,0]=3 166 B10R1.4 CSCc1ccccc1Br CSC000148299 [1,1,0,0,0,0|2,0,0]=4 167 B10R1.4 CSCc1ccccc1Cl CSC000051354 [1,1,0,0,0,0|2,0,0]=4 168 B10R1.10 CCOc1cccc(c1)Cl CSC000170019 [1,1,0,0,0,0|0,0,0]=2 169 B10R1.10 CCOc1cccc(c1)F CSC000170038 [1,1,0,0,0,0|0,0,0]=2 170 B10R1.10 CCSc1cccc(c1)C CSC000055746 [1,1,0,0,0,0|0,1,0]=3 171 B10R1.10 CCSc1cccc(c1)Cl CSC000059004 [1,1,0,0,0,0|0,1,0]=3 172 B10R1.10 CCSc1cccc(c1)F CSC000106542 [1,1,0,0,0,0|0,1,0]=3 173 B10R1.10 CSCc1cccc(c1)Cl CSC000051353 [1,1,0,0,0,0|2,0,0]=4 174 B10R1.10 CSCc1cccc(c1)F CSC000053058 [1,1,0,0,0,0|2,0,0]=4 175 B10R1.17 C#CCSc1ccccc1 CSC000172648 [1,1,0,0,0,0|0,1,1]=4 176 B10R1.17 C=CCSc1ccccc1 CSC000006400 [1,1,0,0,0,0|0,1,1]=4 177 B10R1.17 CCCSc1ccccc1 CSC000005822 [1,1,0,0,0,0|0,1,0]=3 178 B10R1.17 CCCSc1ccccn1 CSC000006455 [1,1,0,0,0,0|1,1,0]=4 179 B10R1.17 CCSCc1ccccc1 CSC000006444 [1,1,0,0,0,0|0,1,0]=3 180 B10R1.17 COCSc1ccccc1 CSC000000817 [1,1,0,0,0,0|0,1,0]=3 181 B10R1.17 CSCCc1ccncc1 CSC015420737 [1,1,0,0,0,0|2,0,0]=4 182 B10R1.17 OCCSc1ccccc1 CSC000230494 [1,1,0,0,0,0|0,1,0]=3 183 B10R1.17 OCCSc1ccccn1 CSC000156319 [1,1,0,0,0,0|1,1,0]=4 184 B10R1.17 OCCSc1ccncc1 CSC011297907 [1,1,0,0,0,0|1,1,0]=4 185 B10R1.18 CS(=O)Cc1ccccc1 CSC000064350 [1,1,0,0,0,0|2,0,0]=4 186 B12R1.1 CC#CCNc1ccc(cc1)C CSC011641516 [0,2,0,0,0,0|2,0,0]=4 187 B12R1.1 CCCCOc1ccc(cc1)Br CSC011212269 [0,2,0,0,0,0|1,0,0]=3 188 B12R1.1 CCCCOc1ccc(cc1)C CSC011212278 [0,2,0,0,0,0|1,0,0]=3 189 B12R1.1 CCCCOc1ccc(cc1)Cl CSC000237964 [0,2,0,0,0,0|1,0,0]=3 190 B12R1.1 CCCCOc1ccc(cc1)I CSC000230682 [0,2,0,0,0,0|1,0,0]=3 191 B12R1.1 CCCCSc1ccc(cc1)C CSC000015701 [0,2,0,0,0,0|1,1,0]=4 192 B12R1.1 CCCNCc1ccc(cc1)Br CSC000186942 [0,2,0,0,0,0|2,0,0]=4 193 B12R1.1 CCCNCc1ccc(cc1)C CSC000186941 [0,2,0,0,0,0|2,0,0]=4 194 B12R1.1 CCCNCc1ccc(cc1)Cl CSC000180872 [0,2,0,0,0,0|2,0,0]=4 195 B12R1.1 COCCSc1ccc(cc1)C CSC000022196 [0,2,0,0,0,0|1,1,0]=4 196 B12R1.1 COCCSc1ccc(cc1)Cl CSC000022191 [0,2,0,0,0,0|1,1,0]=4 197 B12R1.1 Cc1ccc(cc1)CSCCO CSC011212911 [0,2,0,0,0,0|1,1,0]=4 198 B12R1.1 Cc1ccc(cc1)SCCCO CSC000213565 [0,2,0,0,0,0|1,1,0]=4 199 B12R1.1 Clc1ccc(cc1)SCCC#N CSC000172061 [0,2,0,0,0,0|1,1,0]=4 200 B12R1.1 OCCCSc1ccc(cc1)Br CSC000213788 [0,2,0,0,0,0|1,1,0]=4 201 B12R1.1 OCCCSc1ccc(cc1)Cl CSC000212878 [0,2,0,0,0,0|1,1,0]=4 202 B12R1.1 OCCNCc1ccc(cc1)Br CSC000186819 [0,2,0,0,0,0|2,0,0]=4 203 B12R1.1 OCCNCc1ccc(cc1)Br CSC000186819 [0,2,0,0,0,0|2,0,0]=4 204 B12R1.1 OCCNCc1ccc(cc1)Cl CSC000180886 [0,2,0,0,0,0|2,0,0]=4 205 B12R1.1 OCCNCc1ccc(cc1)F CSC000180845 [0,2,0,0,0,0|2,0,0]=4 206 B12R1.1 OCCSCc1ccc(cc1)Br CSC011212529 [0,2,0,0,0,0|1,1,0]=4 207 B12R1.1 OCCSCc1ccc(cc1)Cl CSC000186141 [0,2,0,0,0,0|1,1,0]=4 208 B12R1.1 OCCSCc1ccc(cc1)F CSC011212906 [0,2,0,0,0,0|1,1,0]=4 209 B12R1.1 OCCSCc1ccc(cc1)I CSC000238427 [0,2,0,0,0,0|1,1,0]=4 210 B12R1.16 CCNC(=O)c1ccc(cc1)Br CSC000155174 [0,2,0,0,0,0|2,0,0]=4 211 B12R1.16 CCNC(=O)c1ccc(cc1)C CSC000160135 [0,2,0,0,0,0|2,0,0]=4 212 B12R1.16 CCNC(=O)c1ccc(cc1)Cl CSC000160097 [0,2,0,0,0,0|2,0,0]=4 213 B12R1.16 CCNC(=O)c1ccc(cc1)F CSC000160094 [0,2,0,0,0,0|2,0,0]=4 214 B12R1.16 CCNC(=O)c1ccc(cc1)I CSC000155177 [0,2,0,0,0,0|2,0,0]=4 215 B12R1.16 CCNC(=O)c1ccc(cc1)N CSC000741011 [0,2,0,0,0,0|2,0,0]=4 216 B12R1.16 CCNC(C)c1ccc(cc1)Br CSC000231352 [0,2,0,0,0,0|2,0,0]=4 217 B12R1.16 CCOC(=O)c1cc[n+](cc1)[O-] CSC000005895 [0,2,0,0,0,0|1,0,1]=4 218 B12R1.16 CCOC(=O)c1ccc(cc1)Br CSC000169895 [0,2,0,0,0,0|1,0,0]=3 219 B12R1.16 CCOC(=O)c1ccc(cc1)Cl CSC000169919 [0,2,0,0,0,0|1,0,0]=3 220 B12R1.16 CCOC(=O)c1ccc(cc1)F CSC000169906 [0,2,0,0,0,0|1,0,0]=3 221 B12R1.16 CCOC(=O)c1ccc(cc1)I CSC000170077 [0,2,0,0,0,0|1,0,0]=3 222 B12R1.16 CCOC(=O)c1ccc(cn1)Br CSC011781174 [0,2,0,0,0,0|2,0,0]=4 223 B12R1.16 CCOC(=O)c1ccc(cn1)F CSC012003450 [0,2,0,0,0,0|2,0,0]=4 224 B12R1.16 CCOC(=O)c1ccc(nc1)C CSC011213257 [0,2,0,0,0,0|2,0,0]=4 225 B12R1.16 CCOC(=O)c1ccc(nc1)F CSC012183745 [0,2,0,0,0,0|2,0,0]=4 226 B12R1.21 CC(=O)COc1ccc(cc1)Cl CSC000150450 [0,2,0,0,0,0|1,0,0]=3 227 B12R1.21 CC(=O)CSc1ccc(cc1)C CSC000172844 [0,2,0,0,0,0|1,1,0]=4 228 B12R1.21 CC(=O)CSc1ccc(cc1)Cl CSC000150472 [0,2,0,0,0,0|1,1,0]=4 229 B12R1.21 CC(=O)CSc1ccc(cc1)F CSC000148136 [0,2,0,0,0,0|1,1,0]=4 230 B12R1.21 CC(C)COc1ccc(cc1)Br CSC000169949 [0,2,0,0,0,0|1,0,0]=3 231 B12R1.21 CC(C)NCc1ccc(cc1)C CSC000195779 [0,2,0,0,0,0|2,0,0]=4 232 B12R1.21 CC(C)NCc1ccc(cc1)Cl CSC000195761 [0,2,0,0,0,0|2,0,0]=4 233 B12R1.21 CC(C)NCc1ccc(cc1)F CSC000195765 [0,2,0,0,0,0|2,0,0]=4 234 B12R1.21 CC(O)CSc1ccc(cc1)Cl CSC011366763 [0,2,0,0,0,0|1,1,0]=4 235 B12R1.21 NC(=O)COc1ccc(cc1)Br CSC000150415 [0,2,0,0,0,0|1,0,1]=4 236 B12R1.21 NC(=O)COc1ccc(cc1)Cl CSC000150449 [0,2,0,0,0,0|1,0,1]=4 237 B12R1.21 NC(=O)COc1ccc(cc1)F CSC000150549 [0,2,0,0,0,0|1,0,1]=4 238 B12R1.21 OC(=O)COc1ccc(cc1)Br CSC000182358 [0,2,0,0,0,0|1,0,1]=4 239 B12R1.49 CCC(=O)Nc1ccc(cc1)Br CSC000153582 [0,2,0,0,0,0|2,0,0]=4 240 B12R1.49 CCC(=O)Nc1ccc(cc1)C CSC000153933 [0,2,0,0,0,0|2,0,0]=4 241 B12R1.49 CCC(=O)Nc1ccc(cc1)Cl CSC000154025 [0,2,0,0,0,0|2,0,0]=4 242 B12R1.49 CCC(=O)Nc1ccc(cc1)F CSC000153719 [0,2,0,0,0,0|2,0,0]=4 243 B12R1.49 CCC(=O)Nc1ccc(cc1)O CSC000243810 [0,2,0,0,0,0|1,0,0]=3 244 B12R1.49 CCC(=O)Oc1ccc(cc1)Br CSC009811598 [0,2,0,0,0,0|1,0,0]=3 245 B12R1.49 CCC(=O)Oc1ccc(cc1)Cl CSC000001868 [0,2,0,0,0,0|1,0,0]=3 246 B12R1.49 COC(=O)Cc1ccc(cc1)O CSC000211648 [0,2,0,0,0,0|1,0,1]=4 247 B12R1.69 CCCOc1ccc(cc1Br)C CSC000186539 [0,2,0,0,0,0|1,0,0]=3 248 B12R1.69 CCCOc1ccc(cc1Br)Cl CSC000171686 [0,2,0,0,0,0|1,0,0]=3 249 B12R1.69 CCCOc1ccc(cc1Br)F CSC000171698 [0,2,0,0,0,0|1,0,0]=3 250 B12R1.69 CCCOc1ccc(cc1C)Br CSC000186540 [0,2,0,0,0,0|1,0,0]=3 251 B12R1.69 CCCOc1ccc(cc1Cl)Br CSC009811537 [0,2,0,0,0,0|1,0,0]=3 252 B12R1.69 CCCOc1ccc(cc1F)Br CSC009811878 [0,2,0,0,0,0|1,0,0]=3 253 B12R1.69 CCNCc1ccc(cc1Br)F CSC011192156 [0,2,0,0,0,0|2,0,0]=4 254 B12R1.69 CCNCc1ccc(cc1C)Br CSC011327901 [0,2,0,0,0,0|2,0,0]=4 255 B12R1.69 CCNCc1ccc(cc1Cl)Br CSC011344691 [0,2,0,0,0,0|2,0,0]=4 256 B12R1.69 CCNCc1ccc(cc1Cl)Cl CSC000186925 [0,2,0,0,0,0|2,0,0]=4 257 B12R1.69 CCNCc1ccc(cc1F)Br CSC000201290 [0,2,0,0,0,0|2,0,0]=4 258 B12R1.69 CCSCc1ccc(cc1Cl)F CSC000044551 [0,2,0,0,0,0|1,1,0]=4 259 B12R1.69 CCSCc1ccc(cc1F)F CSC010285517 [0,2,0,0,0,0|1,1,0]=4 260 B12R1.69 Cc1cc(ccc1NCCO)Cl CSC012185096 [0,2,0,0,0,0|2,0,0]=4 261 B12R1.69 Cc1cc(ccc1OCC=C)Br CSC011308933 [0,2,0,0,0,0|1,0,1]=4 262 B12R1.69 Cc1ccc(c(c1)Br)OCC=C CSC000241584 [0,2,0,0,0,0|1,0,1]=4 263 B12R1.69 Cc1ccc(c(c1)C)SCCO CSC000230672 [0,2,0,0,0,0|1,1,0]=4 264 B12R1.69 Cc1ccc(c(c1)F)NCCO CSC011243636 [0,2,0,0,0,0|2,0,0]=4 265 B12R1.69 Clc1cc(ccc1OCC=C)Br CSC009811538 [0,2,0,0,0,0|1,0,1]=4 266 B12R1.69 Clc1ccc(c(c1)Br)OCC#N CSC000171685 [0,2,0,0,0,0|1,0,1]=4 267 B12R1.69 Clc1ccc(c(c1)Br)OCC=C CSC000172271 [0,2,0,0,0,0|1,0,1]=4 268 B12R1.69 Clc1ccc(c(c1)Cl)OCC=C CSC000006397 [0,2,0,0,0,0|1,0,1]=4 269 B12R1.69 Fc1cc(ccc1OCC#N)Br CSC000171754 [0,2,0,0,0,0|1,0,1]=4 270 B12R1.69 Fc1cc(ccc1OCC#N)Cl CSC011212616 [0,2,0,0,0,0|1,0,1]=4 271 B12R1.69 Fc1cc(ccc1OCC=C)Br CSC000172283 [0,2,0,0,0,0|1,0,1]=4 272 B12R1.69 Fc1ccc(c(c1)Br)OCC#N CSC000171697 [0,2,0,0,0,0|1,0,1]=4 273 B12R1.69 Fc1ccc(c(c1)Br)OCC=C CSC000172273 [0,2,0,0,0,0|1,0,1]=4 274 B12R1.69 Fc1ccc(c(c1)Cl)OCC#N CSC000169460 [0,2,0,0,0,0|1,0,1]=4 275 B12R1.69 OCCOc1ccc(cc1Cl)Cl CSC000205304 [0,2,0,0,0,0|1,0,0]=3 276 B12R1.69 OCCSc1ccc(cc1Cl)Cl CSC010001942 [0,2,0,0,0,0|1,1,0]=4 277 B12R1.69 OCCSc1ccc(cc1F)F CSC000204339 [0,2,0,0,0,0|1,1,0]=4 278 B12R1.71 C=CCOc1ccc(cc1)C#N CSC000172076 [0,2,0,0,0,0|1,0,1]=4 279 B12R1.71 CCCOc1ccc(cc1)OC CSC000005956 [0,2,0,0,0,0|0,0,0]=2 280 B12R1.71 CCCSc1ccc(cc1)OC CSC000021480 [0,2,0,0,0,0|0,1,0]=3 281 B12R1.71 CCNCc1ccc(cc1)C#N CSC000218035 [0,2,0,0,0,0|2,0,0]=4 282 B12R1.71 CCNCc1ccc(cc1)CC CSC000180871 [0,2,0,0,0,0|2,0,0]=4 283 B12R1.71 CCNCc1ccc(cc1)SC CSC000201209 [0,2,0,0,0,0|1,1,0]=4 284 B12R1.71 CCSCc1ccc(cc1)SC CSC000044554 [0,2,0,0,0,0|0,2,0]=4 285 B12R1.71 COc1ccc(cc1)OCCO CSC011305860 [0,2,0,0,0,0|0,0,0]=2 286 B12R1.71 COc1ccc(cc1)SCCO CSC000230841 [0,2,0,0,0,0|0,1,0]=3 287 B12R1.71 OCCOc1ccc(cc1)C#N CSC000230533 [0,2,0,0,0,0|1,0,0]=3 288 B12R1.71 OCCOc1ccc(cc1)CO CSC011232690 [0,2,0,0,0,0|0,0,0]=2 289 B12R1.385 CCNCc1ccc(c(c1)C)C CSC000201273 [0,2,0,0,0,0|2,0,0]=4 290 B12R1.385 CCNCc1ccc(c(c1)F)Br CSC011533704 [0,2,0,0,0,0|2,0,0]=4 291 B12R1.385 CCSCc1ccc(c(c1)Cl)Cl CSC000044548 [0,2,0,0,0,0|1,1,0]=4 292 B12R1.385 CCSCc1ccc(c(c1)F)F CSC000053064 [0,2,0,0,0,0|1,1,0]=4 293 B12R1.385 Cc1cc(ccc1Br)OCC=C CSC012348113 [0,2,0,0,0,0|1,0,1]=4 294 B12R1.385 Cc1cc(ccc1Cl)OCCO CSC000230593 [0,2,0,0,0,0|1,0,0]=3 295 B12R1.385 Clc1ccc(cc1Cl)OCC#N CSC000169462 [0,2,0,0,0,0|1,0,1]=4 296 B12R1.385 OCCSc1ccc(c(c1)Cl)Cl CSC012295044 [0,2,0,0,0,0|1,1,0]=4 297 B12R1.4 CC(C)Nc1ccc(cc1)C#N CSC011200357 [0,2,0,0,0,0|2,0,0]=4 298 B12R1.4 CC(C)Oc1ccc(cc1)C#N CSC000170013 [0,2,0,0,0,0|1,0,0]=3 299 B12R1.4 COc1ccc(cc1)OC(=O)C CSC000002274 [0,2,0,0,0,0|0,0,1]=3 300 B12R1.4 COc1ccc(cc1)SC(C)C CSC000019069 [0,2,0,0,0,0|0,1,0]=3 301 B12R1.19 CC(=O)Nc1ccc(c(c1)C)O CSC012186693 [0,2,0,0,0,0|1,0,1]=4 302 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)O CSC011215158 [0,2,0,0,0,0|1,0,1]=4 303 B12R1.19 CC(=O)Oc1ccc(c(c1)C)C CSC000002428 [0,2,0,0,0,0|1,0,1]=4 304 B12R1.19 CC(=O)Oc1ccc(c(c1)Cl)Cl CSC000002395 [0,2,0,0,0,0|1,0,1]=4 305 B12R1.19 CC(=O)Oc1ccc(c(c1)F)Cl CSC010725880 [0,2,0,0,0,0|1,0,1]=4 306 B12R1.19 CC(C)Oc1ccc(c(c1)C)Br CSC012344556 [0,2,0,0,0,0|1,0,0]=3 307 B12R1.19 CC(C)Oc1ccc(c(c1)F)Br CSC012236954 [0,2,0,0,0,0|1,0,0]=3 308 B12R1.19 CC(C)Oc1ccc(c(c1)F)Cl CSC013092442 [0,2,0,0,0,0|1,0,0]=3 309 B12R1.19 CC(C)Oc1ccc(c(c1)F)F CSC000024518 [0,2,0,0,0,0|1,0,0]=3 310 B12R1.20 CN(C(=O)C)c1ccc(cc1)O CSC000743460 [0,2,0,0,0,0|1,0,1]=4 311 B12R1.233 CC(C)Oc1ccc(cc1Br)Cl CSC009811875 [0,2,0,0,0,0|1,0,0]=3 312 B12R1.233 CC(C)Oc1ccc(cc1Br)F CSC000171696 [0,2,0,0,0,0|1,0,0]=3 313 B12R1.233 CC(C)Oc1ccc(cc1Cl)F CSC000005861 [0,2,0,0,0,0|1,0,0]=3 314 B12R1.233 CC(C)Oc1ccc(cc1F)Br CSC009811877 [0,2,0,0,0,0|1,0,0]=3 315 B12R1.5 CCC(=O)c1ccc(cc1)OC CSC000170455 [0,2,0,0,0,0|1,0,0]=3 316 B12R1.5 CNC(=O)c1ccc(cc1)CO CSC000159720 [0,2,0,0,0,0|2,0,0]=4 317 B12R1.5 CNC(=O)c1ccc(cc1)OC CSC000159827 [0,2,0,0,0,0|2,0,0]=4 318 B12R1.5 COC(=O)c1ccc(cc1)CO CSC000151488 [0,2,0,0,0,0|2,0,0]=4 319 B12R1.5 COC(=O)c1ccc(cc1)OC CSC000150779 [0,2,0,0,0,0|2,0,0]=4 320 B12R1.9 CCS(=O)(=O)c1ccc(cc1)Br CSC000765143 [0,2,0,0,0,0|1,1,0]=4 321 B12R1.9 CCS(=O)(=O)c1ccc(cc1)C CSC000014200 [0,2,0,0,0,0|1,1,0]=4 322 B12R1.9 CCS(=O)(=O)c1ccc(cc1)Cl CSC000013680 [0,2,0,0,0,0|1,1,0]=4 323 B12R1.12 CCC(NC)c1ccc(cc1)Br CSC000231127 [0,2,0,0,0,0|2,0,0]=4 324 B12R1.12 CCC(NC)c1ccc(cc1)F CSC000737546 [0,2,0,0,0,0|2,0,0]=4 325 B12R1.367 COC(=O)c1ccc(c(c1)C)O CSC011997373 [0,2,0,0,0,0|2,0,0]=4 326 B12R1.1703 COC(=O)c1ccc(cc1F)O CSC011999631 [0,2,0,0,0,0|2,0,0]=4 327 B12R1.112 CCNc1ccc(cc1CC)Br CSC011290881 [0,2,0,0,0,0|2,0,0]=4 328 B12R1.112 CCOc1ccc(cc1OC)Br CSC012344064 [0,2,0,0,0,0|1,0,0]=3 329 B12R1.112 CCOc1ccc(cc1OC)C CSC000006307 [0,2,0,0,0,0|1,0,0]=3 330 B12R1.114 CCOc1ccc(cc1Cl)C#N CSC000189308 [0,2,0,0,0,0|1,0,0]=3 331 B12R1.1095 CCNc1c(cc(cc1C)C)C CSC000715239 [0,2,0,0,0,0|2,0,0]=4 332 B12R1.1095 CCOc1c(cc(cc1Br)F)F CSC010078526 [0,2,0,0,0,0|1,0,0]=3 333 B12R1.1123 CCOc1cc(c(cc1Cl)Cl)Cl CSC000149756 [0,2,0,0,0,0|1,0,0]=3 334 B12R1.113 CCNc1ccc(cc1)C(C)C CSC000220648 [0,2,0,0,0,0|2,0,0]=4 335 B12R1.113 CCNc1ccc(cc1)[N+](=O)[O-] CSC000156571 [0,2,0,0,0,0|1,0,1]=4 336 B12R1.113 CCOc1ccc(cc1)[N+](=O)[O-] CSC000005800 [0,2,0,0,0,0|0,0,1]=3 337 B12R1.113 CCSc1ccc(cc1)C(C)C CSC000031259 [0,2,0,0,0,0|1,1,0]=4 338 B12R1.113 CCSc1ccc(cc1)[N+](=O)[O-] CSC000053104 [0,2,0,0,0,0|0,1,1]=4 339 B12R1.116 CCOc1ccc(cc1)CCO CSC011217992 [0,2,0,0,0,0|0,0,0]=2 340 B12R1.116 CCOc1ccc(cc1)OCC CSC000170733 [0,2,0,0,0,0|0,0,0]=2 341 B12R1.288 CCOc1ccc(c(c1)F)C#N CSC011935577 [0,2,0,0,0,0|1,0,0]=3 342 B12R1.288 CNCc1ccc(c(c1)O)OC CSC000188468 [0,2,0,0,0,0|2,0,0]=4 343 B12R2.44 COc1ccc2c(c1)OCO2 CSC000005814 [0,1,0,1,0,0|1,0,0]=3 344 B8R1.8 CCSc1cccs1 CSC009829625 [1,0,0,0,1,0|1,1,0]=4