0 B10R1.3 COc1ccc(cc1)SC CSC000007070 [0,0,0,0,0,0|2,0,0]=2 1 B10R1.3 CSc1ccc(cc1)C#N CSC000188601 [0,0,0,0,0,0|1,1,1]=3 2 B9R1.1 CNc1ccc(cc1)Br CSC000219623 [1,0,0,0,0,0|2,0,0]=3 3 B9R1.1 CNc1ccc(cc1)Cl CSC000220157 [1,0,0,0,0,0|2,0,0]=3 4 B9R1.1 COc1ccc(cc1)Br CSC000169945 [1,0,0,0,0,0|1,0,0]=2 5 B9R1.1 COc1ccc(cc1)Cl CSC000169959 [1,0,0,0,0,0|1,0,0]=2 6 B9R1.1 COc1ccc(cc1)I CSC000171711 [1,0,0,0,0,0|1,0,0]=2 7 B9R1.1 CSc1ccc(cc1)Br CSC000149455 [1,0,0,0,0,0|1,1,0]=3 8 B9R1.1 CSc1ccc(cc1)Cl CSC000150468 [1,0,0,0,0,0|1,1,0]=3 9 B9R1.1 CSc1ccc(cc1)F CSC000000078 [1,0,0,0,0,0|1,1,0]=3 10 B9R1.1 CSc1ccc(cc1)O CSC000211864 [1,0,0,0,0,0|0,1,1]=3 11 B9R1.1 CSc1ccc(cn1)Br CSC011408404 [1,0,0,0,0,0|2,1,0]=4 12 B11R1.3 CCc1ccc(cc1)C(=O)N CSC000162293 [0,1,0,0,0,0|1,0,0]=2 13 B11R1.3 CNc1ccc(cc1)C(=O)N CSC000220534 [0,1,0,0,0,0|1,0,0]=2 14 B11R1.3 COc1ccc(cc1)C(=C)C CSC011935109 [0,1,0,0,0,0|1,0,0]=2 15 B11R1.3 COc1ccc(cc1)C(C)C CSC000174001 [0,1,0,0,0,0|1,0,1]=3 16 B11R1.3 COc1ccc(cc1)[C@@H](C)O CSC000744170 [0,1,0,0,0,0|0,0,2]=3 17 B11R1.3 COc1ccc(cc1)[N+](=O)[O-] CSC000156026 [0,1,0,0,0,0|1,0,0]=2 18 B11R1.3 COc1ccc(cn1)C(=O)N CSC000234233 [0,1,0,0,0,0|1,0,0]=2 19 B11R1.3 CSc1ccc(cc1)C(C)C CSC000044649 [0,1,0,0,0,0|1,1,1]=4 20 B11R1.3 CSc1ccc(cc1)[N+](=O)[O-] CSC000039800 [0,1,0,0,0,0|1,1,0]=3 21 B11R1.3 CSc1ccc(cn1)[N+](=O)[O-] CSC000056317 [0,1,0,0,0,0|2,1,0]=4 22 B11R1.3 NC(=O)c1ccc(cc1)C=C CSC000123571 [0,1,0,0,0,0|1,0,1]=3 23 B11R1.83 CCCc1ccc(cc1)OC CSC000034192 [0,1,0,0,0,0|1,0,1]=3 24 B11R1.83 CCOc1ccc(cc1)CN CSC000185588 [0,1,0,0,0,0|1,0,1]=3 25 B11R1.83 CCOc1ccc(cc1)CO CSC000173027 [0,1,0,0,0,0|0,0,2]=3 26 B11R1.83 CCOc1ccc(cc1)SC CSC000021790 [0,1,0,0,0,0|2,0,0]=3 27 B11R1.83 CCOc1ccc(nc1)CO CSC012645146 [0,1,0,0,0,0|1,0,2]=4 28 B11R1.83 CCSc1ccc(cc1)OC CSC000021481 [0,1,0,0,0,0|1,0,1]=3 29 B11R1.83 COCc1ccc(cc1)SC CSC010272925 [0,1,0,0,0,0|2,0,0]=3 30 B11R1.83 COc1ccc(cc1)CCO CSC011219623 [0,1,0,0,0,0|0,0,2]=3 31 B11R1.83 CSCc1ccc(cc1)SC CSC000051362 [0,1,0,0,0,0|0,2,1]=4 32 B11R1.279 COc1ccc(c(c1)C)C#N CSC011934301 [0,1,0,0,0,0|1,0,1]=3 33 B11R1.279 COc1ccc(c(c1)Cl)C#N CSC011218975 [0,1,0,0,0,0|1,0,1]=3 34 B11R1.279 COc1ccc(c(c1)F)C#N CSC000687259 [0,1,0,0,0,0|1,0,1]=3 35 B11R1.279 COc1ccc(cc1Cl)C#N CSC000189300 [0,1,0,0,0,0|1,0,1]=3 36 B11R1.279 COc1ccc(cc1F)C#N CSC011216750 [0,1,0,0,0,0|1,0,1]=3 37 B11R1.279 COc1ccc(cc1I)C#N CSC010089744 [0,1,0,0,0,0|1,0,1]=3 38 B10R1.1 CCNc1ccc(cc1)Cl CSC000220165 [1,1,0,0,0,0|2,0,0]=4 39 B10R1.1 CCOc1ccc(cc1)Br CSC000169946 [1,1,0,0,0,0|1,0,0]=3 40 B10R1.1 CCOc1ccc(cc1)Cl CSC000169960 [1,1,0,0,0,0|1,0,0]=3 41 B10R1.1 CCOc1ccc(cc1)I CSC000171712 [1,1,0,0,0,0|1,0,0]=3 42 B10R1.1 CCSc1ccc(cc1)Br CSC009811893 [1,1,0,0,0,0|1,1,0]=4 43 B10R1.1 CCSc1ccc(cc1)C CSC000006686 [1,1,0,0,0,0|0,1,1]=4 44 B10R1.1 CCSc1ccc(cc1)Cl CSC000005996 [1,1,0,0,0,0|1,1,0]=4 45 B10R1.1 CCSc1ccc(cc1)F CSC000006007 [1,1,0,0,0,0|1,1,0]=4 46 B10R1.1 CSCc1ccc(cc1)C CSC000051358 [1,1,0,0,0,0|0,1,1]=4 47 B10R1.1 CSCc1ccc(cc1)Cl CSC000000312 [1,1,0,0,0,0|1,1,0]=4 48 B10R1.1 CSCc1ccc(cc1)F CSC000051356 [1,1,0,0,0,0|1,1,0]=4 49 B10R1.13 CS(=O)c1ccc(cc1)Br CSC009816266 [1,1,0,0,0,0|1,1,0]=4 50 B10R1.13 CS(=O)c1ccc(cc1)Cl CSC000064343 [1,1,0,0,0,0|1,1,0]=4 51 B10R1.13 CS(=O)c1ccc(cc1)F CSC011920622 [1,1,0,0,0,0|1,1,0]=4 52 B10R1.13 CS(=O)c1ccc(cc1)O CSC000064373 [1,1,0,0,0,0|1,0,0]=3 53 B10R1.13 Cc1ccc(cc1)S(=O)C CSC000031592 [1,1,0,0,0,0|1,0,0]=3 54 B10R1.13 NC(=O)c1ccc(cc1)Cl CSC000162172 [1,1,0,0,0,0|1,0,0]=3 55 B10R1.13 NC(=O)c1ccc(cc1)I CSC000162191 [1,1,0,0,0,0|1,0,0]=3 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 B10R1.25 CNc1ccc(cc1C)Cl CSC011806183 [1,1,0,0,0,0|2,0,0]=4 60 B10R1.25 CNc1ccc(cc1Cl)Cl CSC000220404 [1,1,0,0,0,0|2,0,0]=4 61 B10R1.25 COc1ccc(cc1Br)Br CSC000170007 [1,1,0,0,0,0|1,0,0]=3 62 B10R1.25 COc1ccc(cc1Br)C CSC000186399 [1,1,0,0,0,0|0,0,1]=3 63 B10R1.25 COc1ccc(cc1Br)F CSC000171694 [1,1,0,0,0,0|1,0,0]=3 64 B10R1.25 COc1ccc(cc1C)Br CSC011219705 [1,1,0,0,0,0|1,0,0]=3 65 B10R1.25 COc1ccc(cc1C)Cl CSC000170507 [1,1,0,0,0,0|1,0,0]=3 66 B10R1.25 COc1ccc(cc1C)F CSC011216167 [1,1,0,0,0,0|1,0,0]=3 67 B10R1.25 COc1ccc(cc1Cl)Br CSC000149647 [1,1,0,0,0,0|1,0,0]=3 68 B10R1.25 COc1ccc(cc1Cl)C CSC011933932 [1,1,0,0,0,0|0,0,1]=3 69 B10R1.25 COc1ccc(cc1Cl)Cl CSC000170024 [1,1,0,0,0,0|1,0,0]=3 70 B10R1.25 COc1ccc(cc1Cl)F CSC000170253 [1,1,0,0,0,0|1,0,0]=3 71 B10R1.25 COc1ccc(cc1F)Cl CSC011218554 [1,1,0,0,0,0|1,0,0]=3 72 B10R1.25 COc1ccc(cc1I)C CSC011263220 [1,1,0,0,0,0|0,0,1]=3 73 B10R1.25 CSc1ccc(cc1C)C CSC000001076 [1,1,0,0,0,0|0,1,1]=4 74 B10R1.25 CSc1ccc(cc1Cl)Cl CSC000076917 [1,1,0,0,0,0|1,1,0]=4 75 B10R1.25 CSc1ccc(cc1F)F CSC000017874 [1,1,0,0,0,0|1,1,0]=4 76 B10R1.176 CNc1ccc(c(c1)Cl)C CSC000220120 [1,1,0,0,0,0|1,0,1]=4 77 B10R1.176 CNc1ccc(c(c1)Cl)Cl CSC000219944 [1,1,0,0,0,0|2,0,0]=4 78 B10R1.176 CNc1ccc(c(c1)F)Br CSC012285320 [1,1,0,0,0,0|2,0,0]=4 79 B10R1.176 COc1ccc(=O)n(n1)C CSC009892526 [1,1,0,0,0,0|2,0,0]=4 80 B10R1.176 COc1ccc(c(c1)Br)C CSC012349166 [1,1,0,0,0,0|0,0,1]=3 81 B10R1.176 COc1ccc(c(c1)Br)Cl CSC011290771 [1,1,0,0,0,0|1,0,0]=3 82 B10R1.176 COc1ccc(c(c1)Br)I CSC012349170 [1,1,0,0,0,0|1,0,0]=3 83 B10R1.176 COc1ccc(c(c1)C)Br CSC000759875 [1,1,0,0,0,0|1,0,0]=3 84 B10R1.176 COc1ccc(c(c1)C)Cl CSC000170508 [1,1,0,0,0,0|1,0,0]=3 85 B10R1.176 COc1ccc(c(c1)C)F CSC011217415 [1,1,0,0,0,0|1,0,0]=3 86 B10R1.176 COc1ccc(c(c1)Cl)Br CSC000730603 [1,1,0,0,0,0|1,0,0]=3 87 B10R1.176 COc1ccc(c(c1)Cl)C CSC000021920 [1,1,0,0,0,0|0,0,1]=3 88 B10R1.176 COc1ccc(c(c1)Cl)Cl CSC000170311 [1,1,0,0,0,0|1,0,0]=3 89 B10R1.176 COc1ccc(c(c1)Cl)F CSC000006738 [1,1,0,0,0,0|1,0,0]=3 90 B10R1.176 COc1ccc(c(c1)F)Br CSC000753793 [1,1,0,0,0,0|1,0,0]=3 91 B10R1.176 COc1ccc(c(c1)F)C CSC011218487 [1,1,0,0,0,0|0,0,1]=3 92 B10R1.176 COc1ccc(c(c1)F)Cl CSC011215935 [1,1,0,0,0,0|1,0,0]=3 93 B10R1.176 COc1ccc(c(c1)F)F CSC000038840 [1,1,0,0,0,0|1,0,0]=3 94 B10R1.176 CSc1ccc(c(c1)C)C CSC000001060 [1,1,0,0,0,0|0,1,1]=4 95 B10R1.176 CSc1ccc(c(c1)Cl)Cl CSC000116842 [1,1,0,0,0,0|1,1,0]=4 96 B10R1.176 CSc1ccc(c(c1)Cl)F CSC000021471 [1,1,0,0,0,0|1,1,0]=4 97 B10R1.31 COc1cc(on1)C(=O)N CSC000103433 [0,1,0,0,1,0|2,0,0]=4 98 B12R1.5 CCC(=O)c1ccc(cc1)OC CSC000170455 [0,2,0,0,0,0|0,0,0]=2 99 B12R1.5 CCc1ccc(cc1)C(=O)OC CSC000149224 [0,2,0,0,0,0|1,0,0]=3 100 B12R1.5 CNC(=O)c1ccc(cc1)CO CSC000159720 [0,2,0,0,0,0|2,0,0]=4 101 B12R1.5 CNC(=O)c1ccc(cc1)OC CSC000159827 [0,2,0,0,0,0|0,0,0]=2 102 B12R1.5 CNc1ccc(cc1)C(=O)OC CSC000220287 [0,2,0,0,0,0|1,0,0]=3 103 B12R1.5 COC(=O)c1ccc(cc1)C#N CSC000148855 [0,2,0,0,0,0|1,0,1]=4 104 B12R1.5 COC(=O)c1ccc(cc1)C=C CSC000061247 [0,2,0,0,0,0|1,0,0]=3 105 B12R1.5 COC(=O)c1ccc(cc1)CO CSC000151488 [0,2,0,0,0,0|0,0,2]=4 106 B12R1.5 COC(=O)c1ccc(cc1)OC CSC000150779 [0,2,0,0,0,0|0,0,0]=2 107 B12R1.5 COC(=O)c1ccc(cc1)SC CSC000175311 [0,2,0,0,0,0|0,1,0]=3 108 B12R1.5 COC(=O)c1ccc(nc1)OC CSC000181318 [0,2,0,0,0,0|1,0,0]=3 109 B12R1.5 CSc1ccc(cc1)C(=O)NN CSC000190082 [0,2,0,0,0,0|0,1,0]=3 110 B12R1.5 NNC(=O)c1ccc(cc1)C#N CSC000016251 [0,2,0,0,0,0|2,0,0]=4 111 B12R1.6 CCc1ccc(cc1)S(=O)(=O)C CSC000080752 [0,2,0,0,0,0|2,0,0]=4 112 B12R1.6 COc1ccc(cc1)C(C)(C)O CSC000744786 [0,2,0,0,0,0|0,0,2]=4 113 B12R1.6 CSc1ccc(cc1)S(=O)(=O)N CSC000709283 [0,2,0,0,0,0|1,1,0]=4 114 B12R1.48 CNc1ccc(cc1Br)[N+](=O)[O-] CSC011534181 [0,2,0,0,0,0|2,0,0]=4 115 B12R1.48 COc1ccc(cc1Br)C(=O)N CSC000206422 [0,2,0,0,0,0|0,0,0]=2 116 B12R1.48 COc1ccc(cc1Br)[N+](=O)[O-] CSC011217902 [0,2,0,0,0,0|1,0,0]=3 117 B12R1.48 COc1ccc(cc1C)C(=O)C CSC000693588 [0,2,0,0,0,0|0,0,0]=2 118 B12R1.48 COc1ccc(cc1C)[N+](=O)[O-] CSC000068493 [0,2,0,0,0,0|1,0,0]=3 119 B12R1.48 COc1ccc(cc1Cl)[N+](=O)[O-] CSC000000864 [0,2,0,0,0,0|1,0,0]=3 120 B12R1.48 COc1ccc(cc1F)[N+](=O)[O-] CSC000036518 [0,2,0,0,0,0|1,0,0]=3 121 B12R1.48 COc1ccc(cc1I)C(=O)N CSC010363828 [0,2,0,0,0,0|0,0,0]=2 122 B12R1.48 CSc1ccc(cc1F)[N+](=O)[O-] CSC000056319 [0,2,0,0,0,0|1,1,0]=4 123 B12R1.113 CCNc1ccc(cc1)[N+](=O)[O-] CSC000156571 [0,2,0,0,0,0|2,0,0]=4 124 B12R1.113 CCOc1ccc(cc1)[N+](=O)[O-] CSC000005800 [0,2,0,0,0,0|1,0,0]=3 125 B12R1.113 CCSc1ccc(cc1)[N+](=O)[O-] CSC000053104 [0,2,0,0,0,0|1,1,0]=4 126 B12R1.256 CC(C)c1ccc(cc1)C(=O)N CSC000162222 [0,2,0,0,0,0|1,0,0]=3 127 B12R1.256 NC(=O)c1ccc(cc1)C(=O)N CSC000175741 [0,2,0,0,0,0|2,0,0]=4 128 B12R1.256 NC(=O)c1ccc(cc1)[N+](=O)[O-] CSC000162182 [0,2,0,0,0,0|2,0,0]=4 129 B12R1.452 COc1ccc(c(c1)Br)C(=O)N CSC009815664 [0,2,0,0,0,0|0,0,0]=2 130 B12R1.452 COc1ccc(c(c1)C)C(=O)N CSC009868328 [0,2,0,0,0,0|0,0,0]=2 131 B12R1.452 COc1ccc(c(c1)F)C(=O)C CSC000211433 [0,2,0,0,0,0|0,0,0]=2 132 B12R1.452 COc1ccc(c(c1)F)C(=O)N CSC000198184 [0,2,0,0,0,0|0,0,0]=2 133 B12R1.452 COc1ccc(c(c1)F)[N+](=O)[O-] CSC011299423 [0,2,0,0,0,0|1,0,0]=3 134 B12R1.4 CC(C)Oc1ccc(cc1)C#N CSC000170013 [0,2,0,0,0,0|1,0,1]=4 135 B12R1.4 CCc1ccc(cc1)CC(=O)N CSC009837247 [0,2,0,0,0,0|1,0,0]=3 136 B12R1.4 CCc1ccc(cc1)NC(=O)C CSC000155791 [0,2,0,0,0,0|1,0,0]=3 137 B12R1.4 CCc1ccc(cc1)NC(=O)N CSC000181704 [0,2,0,0,0,0|1,0,0]=3 138 B12R1.4 COc1ccc(cc1)CC(=O)N CSC000162232 [0,2,0,0,0,0|0,0,0]=2 139 B12R1.4 COc1ccc(cc1)OC(=O)C CSC000002274 [0,2,0,0,0,0|0,0,0]=2 140 B12R1.4 COc1ccc(cc1)SC(C)C CSC000019069 [0,2,0,0,0,0|1,0,1]=4 141 B12R1.4 COc1ccc(cn1)NC(=O)C CSC000151899 [0,2,0,0,0,0|1,0,0]=3 142 B12R1.4 CSc1ccc(cc1)NC(=O)N CSC000239025 [0,2,0,0,0,0|0,1,0]=3 143 B12R1.71 C=CCOc1ccc(cc1)C#N CSC000172076 [0,2,0,0,0,0|1,0,1]=4 144 B12R1.71 CCCOc1ccc(cc1)OC CSC000005956 [0,2,0,0,0,0|1,0,1]=4 145 B12R1.71 CCCSc1ccc(cc1)OC CSC000021480 [0,2,0,0,0,0|1,0,1]=4 146 B12R1.71 COc1ccc(cc1)OCCO CSC011305860 [0,2,0,0,0,0|0,0,2]=4 147 B12R1.71 COc1ccc(cc1)SCCO CSC000230841 [0,2,0,0,0,0|0,0,2]=4 148 B12R1.71 OCCOc1ccc(cc1)C#N CSC000230533 [0,2,0,0,0,0|1,0,1]=4 149 B12R1.71 OCCOc1ccc(cc1)CO CSC011232690 [0,2,0,0,0,0|0,0,2]=4 150 B12R1.114 CCOc1ccc(cc1Cl)C#N CSC000189308 [0,2,0,0,0,0|1,0,1]=4 151 B12R1.116 CCOc1ccc(cc1)CCO CSC011217992 [0,2,0,0,0,0|0,0,2]=4 152 B12R1.116 CCOc1ccc(cc1)OCC CSC000170733 [0,2,0,0,0,0|1,0,1]=4 153 B12R1.288 CCOc1ccc(c(c1)F)C#N CSC011935577 [0,2,0,0,0,0|1,0,1]=4 154 B12R1.288 CNCc1ccc(c(c1)O)OC CSC000188468 [0,2,0,0,0,0|1,0,1]=4 155 B12R1.78 CCc1ccc(c(c1)OC)OC CSC000076490 [0,2,0,0,0,0|1,0,1]=4 156 B12R1.78 COc1ccc(c(c1)OC)C#N CSC000188243 [0,2,0,0,0,0|1,0,1]=4 157 B12R1.78 COc1ccc(c(c1)OC)OC CSC000036765 [0,2,0,0,0,0|2,0,0]=4 158 B12R1.301 COc1c(cc(cc1Br)C#N)Br CSC009812461 [0,2,0,0,0,0|1,0,1]=4 159 B12R1.301 COc1c(cc(cc1C)C#N)C CSC011934316 [0,2,0,0,0,0|1,0,1]=4 160 B10R1.2 COc1cccc(c1Br)C CSC010191535 [0,0,1,1,0,0|2,0,0]=4 161 B10R1.2 COc1cccc(c1C)Cl CSC000038763 [0,0,1,1,0,0|1,0,1]=4 162 B10R1.2 COc1cccc(c1Cl)Cl CSC000005874 [0,0,1,1,0,0|2,0,0]=4 163 B10R1.2 COc1cccc(c1F)C CSC012000584 [0,0,1,1,0,0|2,0,0]=4 164 B10R1.2 COc1cccc(c1F)Cl CSC000035491 [0,0,1,1,0,0|2,0,0]=4 165 B10R1.2 COc1cccc(c1F)F CSC000034306 [0,0,1,1,0,0|2,0,0]=4 166 B10R1.2 COc1cccc(c1I)F CSC000041735 [0,0,1,1,0,0|2,0,0]=4 167 B12R2.44 COc1ccc2c(c1)OCO2 CSC000005814 [0,1,0,1,0,0|0,0,2]=4 168 B10R1.172 COc1cccc(c1)SC CSC000044647 [0,0,0,0,1,1|2,0,0]=4