0 B11R1.280 COc1cc(ccc1Br)C#N CSC012356288 [0,0,0,0,0,0|2,0,1]=3 1 B10R1.30 COc1cc(ccc1Br)C CSC010200004 [1,0,0,0,0,0|1,0,0]=2 2 B10R1.30 COc1cc(ccc1Br)Cl CSC009814061 [1,0,0,0,0,0|2,0,0]=3 3 B10R1.30 COc1cc(ccc1C)Br CSC011830276 [1,0,0,0,0,0|2,0,0]=3 4 B10R1.30 COc1cc(ccc1C)Cl CSC011219340 [1,0,0,0,0,0|2,0,0]=3 5 B10R1.30 COc1cc(ccc1C)F CSC011219959 [1,0,0,0,0,0|2,0,0]=3 6 B10R1.30 COc1cc(ccc1Cl)Br CSC000742348 [1,0,0,0,0,0|2,0,0]=3 7 B10R1.30 COc1cc(ccc1Cl)C CSC000170852 [1,0,0,0,0,0|1,0,0]=2 8 B10R1.30 COc1cc(ccc1Cl)Cl CSC000170754 [1,0,0,0,0,0|2,0,0]=3 9 B10R1.30 COc1cc(ccc1F)Br CSC011934186 [1,0,0,0,0,0|2,0,0]=3 10 B10R1.30 COc1cc(ccc1F)C CSC011217910 [1,0,0,0,0,0|1,0,0]=2 11 B10R1.30 COc1cc(ccc1F)F CSC011214905 [1,0,0,0,0,0|2,0,0]=3 12 B10R1.30 CSc1cc(ccc1C)C CSC000001074 [1,0,0,0,0,0|1,1,0]=3 13 B10R1.30 CSc1cc(ccc1Cl)Cl CSC000001111 [1,0,0,0,0,0|2,1,0]=4 14 B10R1.172 COc1cccc(c1)SC CSC000044647 [1,0,0,0,0,0|1,0,0]=2 15 B10R1.176 CNc1ccc(c(c1)Cl)C CSC000220120 [1,0,0,0,0,0|3,0,0]=4 16 B10R1.176 CNc1ccc(c(c1)Cl)Cl CSC000219944 [1,0,0,0,0,0|3,0,0]=4 17 B10R1.176 CNc1ccc(c(c1)F)Br CSC012285320 [1,0,0,0,0,0|3,0,0]=4 18 B10R1.176 COc1ccc(c(c1)Br)C CSC012349166 [1,0,0,0,0,0|3,0,0]=4 19 B10R1.176 COc1ccc(c(c1)Br)Cl CSC011290771 [1,0,0,0,0,0|3,0,0]=4 20 B10R1.176 COc1ccc(c(c1)Br)I CSC012349170 [1,0,0,0,0,0|3,0,0]=4 21 B10R1.176 COc1ccc(c(c1)C)Br CSC000759875 [1,0,0,0,0,0|2,0,0]=3 22 B10R1.176 COc1ccc(c(c1)C)Cl CSC000170508 [1,0,0,0,0,0|2,0,0]=3 23 B10R1.176 COc1ccc(c(c1)C)F CSC011217415 [1,0,0,0,0,0|2,0,0]=3 24 B10R1.176 COc1ccc(c(c1)Cl)Br CSC000730603 [1,0,0,0,0,0|3,0,0]=4 25 B10R1.176 COc1ccc(c(c1)Cl)C CSC000021920 [1,0,0,0,0,0|3,0,0]=4 26 B10R1.176 COc1ccc(c(c1)Cl)Cl CSC000170311 [1,0,0,0,0,0|3,0,0]=4 27 B10R1.176 COc1ccc(c(c1)Cl)F CSC000006738 [1,0,0,0,0,0|3,0,0]=4 28 B10R1.176 COc1ccc(c(c1)F)Br CSC000753793 [1,0,0,0,0,0|3,0,0]=4 29 B10R1.176 COc1ccc(c(c1)F)C CSC011218487 [1,0,0,0,0,0|3,0,0]=4 30 B10R1.176 COc1ccc(c(c1)F)Cl CSC011215935 [1,0,0,0,0,0|3,0,0]=4 31 B10R1.176 COc1ccc(c(c1)F)F CSC000038840 [1,0,0,0,0,0|3,0,0]=4 32 B10R1.176 CSc1ccc(c(c1)C)C CSC000001060 [1,0,0,0,0,0|2,0,0]=3 33 B10R1.176 CSc1ccc(c(c1)Cl)Cl CSC000116842 [1,0,0,0,0,0|3,0,0]=4 34 B10R1.176 CSc1ccc(c(c1)Cl)F CSC000021471 [1,0,0,0,0,0|3,0,0]=4 35 B12R1.56 COc1cc(ccc1Br)[N+](=O)[O-] CSC011218782 [0,1,0,0,0,0|3,0,0]=4 36 B12R1.56 COc1cc(ccc1C)[N+](=O)[O-] CSC000038251 [0,1,0,0,0,0|3,0,0]=4 37 B12R1.56 COc1cc(ccc1Cl)[N+](=O)[O-] CSC011217944 [0,1,0,0,0,0|3,0,0]=4 38 B12R1.78 CCc1ccc(c(c1)OC)OC CSC000076490 [0,1,0,0,0,0|0,0,0]=1 39 B12R1.78 COc1ccc(c(c1)OC)C#N CSC000188243 [0,1,0,0,0,0|2,0,0]=3 40 B12R1.78 COc1ccc(c(c1)OC)OC CSC000036765 [0,1,0,0,0,0|1,0,0]=2 41 B12R2.44 COc1ccc2c(c1)OCO2 CSC000005814 [0,0,0,1,0,0|1,0,0]=2 42 B9R1.2 CNc1cccc(c1)Cl CSC000220044 [2,0,0,0,0,0|2,0,0]=4 43 B9R1.2 CNc1cccc(c1)I CSC000221217 [2,0,0,0,0,0|2,0,0]=4 44 B9R1.2 COc1cccc(c1)Br CSC000170001 [2,0,0,0,0,0|1,0,0]=3 45 B9R1.2 COc1cccc(c1)Cl CSC000170018 [2,0,0,0,0,0|1,0,0]=3 46 B9R1.2 COc1cccc(c1)I CSC000171673 [2,0,0,0,0,0|1,0,0]=3 47 B9R1.2 CSc1cccc(c1)Br CSC011215954 [2,0,0,0,0,0|1,1,0]=4 48 B9R1.2 CSc1cccc(c1)Cl CSC000033908 [2,0,0,0,0,0|1,1,0]=4 49 B9R1.2 CSc1cccc(c1)F CSC000067534 [2,0,0,0,0,0|1,1,0]=4 50 B9R1.15 CNc1ccccc1Cl CSC000219374 [2,0,0,0,0,0|2,0,0]=4 51 B9R1.15 COc1ccccc1Br CSC000174000 [2,0,0,0,0,0|1,0,0]=3 52 B9R1.15 COc1ccccc1Cl CSC000169952 [2,0,0,0,0,0|1,0,0]=3 53 B9R1.15 COc1ccccc1I CSC000210334 [2,0,0,0,0,0|1,0,0]=3 54 B9R1.15 CSc1ccccc1Br CSC000230855 [2,0,0,0,0,0|1,1,0]=4 55 B9R1.15 CSc1ccccc1Cl CSC000000335 [2,0,0,0,0,0|1,1,0]=4 56 B9R1.15 CSc1ccccc1F CSC000000233 [2,0,0,0,0,0|1,1,0]=4 57 B9R1.15 CSc1ccccc1O CSC011216402 [2,0,0,0,0,0|0,1,0]=3 58 B9R1.1 CNc1ccc(cc1)Br CSC000219623 [2,0,0,0,0,0|2,0,0]=4 59 B9R1.1 CNc1ccc(cc1)Cl CSC000220157 [2,0,0,0,0,0|2,0,0]=4 60 B9R1.1 COc1ccc(cc1)Br CSC000169945 [2,0,0,0,0,0|2,0,0]=4 61 B9R1.1 COc1ccc(cc1)Cl CSC000169959 [2,0,0,0,0,0|2,0,0]=4 62 B9R1.1 COc1ccc(cc1)I CSC000171711 [2,0,0,0,0,0|2,0,0]=4 63 B9R1.1 CSc1ccc(cc1)Br CSC000149455 [2,0,0,0,0,0|2,0,0]=4 64 B9R1.1 CSc1ccc(cc1)Cl CSC000150468 [2,0,0,0,0,0|2,0,0]=4 65 B9R1.1 CSc1ccc(cc1)F CSC000000078 [2,0,0,0,0,0|2,0,0]=4 66 B9R1.1 CSc1ccc(cc1)O CSC000211864 [2,0,0,0,0,0|1,0,0]=3 67 B11R1.8 COc1cc(cc(c1C)C)C CSC000040147 [1,1,0,0,0,0|1,0,0]=3 68 B11R1.8 COc1cc(cc(c1F)F)Br CSC011218012 [1,1,0,0,0,0|2,0,0]=4 69 B11R1.37 CNc1cc(ccc1OC)C CSC000220787 [1,1,0,0,0,0|1,0,0]=3 70 B11R1.37 COc1cc(ccc1C#N)Br CSC000694671 [1,1,0,0,0,0|2,0,0]=4 71 B11R1.37 COc1ccc(cc1OC)C CSC000171720 [1,1,0,0,0,0|0,0,0]=2 72 B11R1.37 COc1ccc(cc1OC)Cl CSC000739261 [1,1,0,0,0,0|1,0,0]=3 73 B11R1.167 Cc1ccc(c(c1)C(=O)N)O CSC000192840 [1,1,0,0,0,0|2,0,0]=4 74 B11R1.182 CCOc1cc(ccc1C)Br CSC012361169 [1,1,0,0,0,0|2,0,0]=4 75 B11R1.182 CCOc1cc(ccc1Cl)F CSC011216996 [1,1,0,0,0,0|2,0,0]=4 76 B11R1.182 CCOc1cc(ccc1F)Br CSC012344967 [1,1,0,0,0,0|2,0,0]=4 77 B11R1.182 CCOc1cc(ccc1F)Cl CSC000035111 [1,1,0,0,0,0|2,0,0]=4 78 B11R1.182 CCSc1cc(ccc1C)C CSC000006290 [1,1,0,0,0,0|1,1,0]=4 79 B11R1.277 COc1cc(c(cc1Br)Cl)F CSC010062399 [1,1,0,0,0,0|2,0,0]=4 80 B11R1.277 COc1cc(c(cc1Cl)Br)F CSC012355545 [1,1,0,0,0,0|2,0,0]=4 81 B11R1.277 COc1cc(c(cc1Cl)Cl)Cl CSC000149755 [1,1,0,0,0,0|2,0,0]=4 82 B11R1.9 COc1cc(cc(c1)C#N)Cl CSC012002591 [1,1,0,0,0,0|1,0,1]=4 83 B11R1.9 COc1cc(cc(c1)C#N)F CSC011934544 [1,1,0,0,0,0|1,0,1]=4 84 B11R1.189 CCOc1cccc(c1)CO CSC011232711 [1,1,0,0,0,0|1,0,0]=3 85 B11R1.189 CCSc1cccc(c1)OC CSC000031258 [1,1,0,0,0,0|0,0,0]=2 86 B11R1.189 COc1cccc(c1)CSC CSC000051361 [1,1,0,0,0,0|0,0,0]=2 87 B11R1.266 COc1cccc(c1)[N+](=O)[O-] CSC000006736 [1,1,0,0,0,0|2,0,0]=4 88 B11R1.14 COc1cc(c(c(c1)C)Br)C CSC012160682 [1,1,0,0,0,0|2,0,0]=4 89 B11R1.192 CCNc1ccc(c(c1)C)C CSC000219818 [1,1,0,0,0,0|1,0,0]=3 90 B11R1.192 CCNc1ccc(c(c1)Cl)C CSC000220128 [1,1,0,0,0,0|2,0,0]=4 91 B11R1.192 CCNc1ccc(c(c1)Cl)Cl CSC000219952 [1,1,0,0,0,0|2,0,0]=4 92 B11R1.192 CCOc1ccc(c(c1)C)Br CSC012344538 [1,1,0,0,0,0|1,0,0]=3 93 B11R1.192 CCOc1ccc(c(c1)Cl)Br CSC010081125 [1,1,0,0,0,0|2,0,0]=4 94 B11R1.192 CCOc1ccc(c(c1)Cl)F CSC000006682 [1,1,0,0,0,0|2,0,0]=4 95 B11R1.192 CCOc1ccc(c(c1)F)Cl CSC011216938 [1,1,0,0,0,0|2,0,0]=4 96 B11R1.192 CCOc1ccc(c(c1)F)F CSC000024517 [1,1,0,0,0,0|2,0,0]=4 97 B11R1.192 CCSc1ccc(c(c1)C)C CSC000006256 [1,1,0,0,0,0|1,0,0]=3 98 B11R1.192 CCSc1ccc(c(c1)Cl)Cl CSC010243610 [1,1,0,0,0,0|2,0,0]=4 99 B11R1.192 CCSc1ccc(c(c1)Cl)F CSC000021472 [1,1,0,0,0,0|2,0,0]=4 100 B11R1.192 CNCc1ccc(c(c1)Cl)Cl CSC000184578 [1,1,0,0,0,0|2,0,0]=4 101 B11R1.192 CSCc1ccc(c(c1)Cl)Cl CSC000051355 [1,1,0,0,0,0|2,0,0]=4 102 B11R1.192 CSCc1ccc(c(c1)F)F CSC000053065 [1,1,0,0,0,0|2,0,0]=4 103 B11R1.279 COc1ccc(c(c1)C)C#N CSC011934301 [1,1,0,0,0,0|2,0,0]=4 104 B13R1.49 COC(=O)c1ccc(c(c1)OC)Br CSC009816954 [0,2,0,0,0,0|1,0,1]=4 105 B13R1.49 COC(=O)c1ccc(c(c1)OC)C CSC000216661 [0,2,0,0,0,0|1,0,1]=4 106 B13R1.49 COC(=O)c1ccc(c(c1)OC)Cl CSC012340335 [0,2,0,0,0,0|1,0,1]=4 107 B13R1.50 COc1cc(ccc1Br)C(F)(F)F CSC010140322 [0,2,0,0,0,0|2,0,0]=4 108 B13R1.50 COc1cc(ccc1Cl)C(F)(F)F CSC000035524 [0,2,0,0,0,0|2,0,0]=4 109 B13R1.50 COc1cc(ccc1F)C(F)(F)F CSC000036793 [0,2,0,0,0,0|2,0,0]=4 110 B13R1.3091 COc1cc(ccc1SC)C(=O)C CSC000056233 [0,2,0,0,0,0|0,1,1]=4 111 B13R1.3091 COc1ccc(cc1OC)[N+](=O)[O-] CSC000187218 [0,2,0,0,0,0|2,0,0]=4 112 B13R1.99 COc1ccc(c(c1)OC)[N+](=O)[O-] CSC000707660 [0,2,0,0,0,0|1,0,1]=4 113 B13R1.355 CCOc1cc(ccc1OC)C#N CSC000188254 [0,2,0,0,0,0|1,0,1]=4 114 B13R1.386 COc1ccc(cc1OC)C=CC CSC020645153 [0,2,0,0,0,0|0,0,1]=3 115 B13R1.434 COc1cc(cc(c1OC)I)CO CSC010164084 [0,2,0,0,0,0|1,0,0]=3 116 B13R1.97 COc1ccc(c(c1)NC(=O)C)O CSC009876672 [0,2,0,0,0,0|2,0,0]=4 117 B13R1.2431 COC(=O)c1cc(ccc1Br)OC CSC000151459 [0,2,0,0,0,0|2,0,0]=4 118 B13R1.2431 COC(=O)c1cc(ccc1O)OC CSC000151008 [0,2,0,0,0,0|1,0,0]=3 119 B13R1.52 COc1cc(ccc1Cl)NC(=O)C CSC012002201 [0,2,0,0,0,0|1,0,1]=4 120 B11R1.44 COC(=O)c1ccc(o1)CO CSC000246396 [0,0,1,1,0,0|2,0,0]=4 121 B13R2.57 COc1ccc2c(c1)OCCO2 CSC009884742 [0,1,0,1,0,0|1,0,0]=3