0 B10R1.13 C=C(C)c1cc[n+](cc1)[O-] 271570a_100000694244_100000039755 [0,0,0,0,0,0|3,0,1]=4 1 B10R1.13 C=C(C)c1ccc(=O)[nH]c1 271570a_100000694244_100000212171 [0,0,0,0,0,0|3,0,1]=4 2 B10R1.13 C=C(C)c1ccc(cc1)Br 271570a_100000694244_100000752885 [0,0,0,0,0,0|3,0,0]=3 3 B10R1.13 C=C(C)c1ccc(cc1)C 271570a_100000694244_100000186775 [0,0,0,0,0,0|3,0,0]=3 4 B10R1.13 C=C(C)c1ccc(cc1)Cl 271570a_100000694244_100000755918 [0,0,0,0,0,0|3,0,0]=3 5 B10R1.13 C=C(C)c1ccc(cc1)F 271570a_100000694244_100000211213 [0,0,0,0,0,0|3,0,0]=3 6 B10R1.13 C=C(C)c1ccc(cc1)N 271570a_100000694244_100000185761 [0,0,0,0,0,0|3,0,0]=3 7 B10R1.13 C=C(C)c1ccc(cc1)O 271570a_100000694244_100000185759 [0,0,0,0,0,0|2,0,0]=2 8 B10R1.13 C=C(C)c1ccc(cc1)O 271570a_203496583355_100000185454 [0,0,0,0,0,0|2,0,0]=2 9 B10R1.13 C=C(C)c1ccc(cn1)Br 271570a_100000694244_100000686858 [0,0,0,0,0,0|4,0,0]=4 10 B10R1.13 C=C(C)c1ccc(cn1)C 271570a_100000694244_100000754016 [0,0,0,0,0,0|4,0,0]=4 11 B10R1.13 C=C(C)c1ccc(cn1)Cl 271570a_100000694244_100011356976 [0,0,0,0,0,0|4,0,0]=4 12 B10R1.13 C=C(C)c1ccc(cn1)F 271570a_100000694244_100000744514 [0,0,0,0,0,0|4,0,0]=4 13 B10R1.13 C=C(C)c1ccc(cn1)N 271570a_100000694244_100000744251 [0,0,0,0,0,0|4,0,0]=4 14 B10R1.13 C=C(C)c1ccc(cn1)O 271570a_100000694244_100000685995 [0,0,0,0,0,0|3,0,0]=3 15 B10R1.13 C=C(C)c1ccc(nc1)Br 271570a_100000694244_100009814638 [0,0,0,0,0,0|4,0,0]=4 16 B10R1.13 C=C(C)c1ccc(nc1)C 271570a_100000694244_100000751577 [0,0,0,0,0,0|4,0,0]=4 17 B10R1.13 C=C(C)c1ccc(nc1)Cl 271570a_100000694244_100000034144 [0,0,0,0,0,0|4,0,0]=4 18 B10R1.13 C=C(C)c1ccc(nc1)F 271570a_100000694244_100000748661 [0,0,0,0,0,0|4,0,0]=4 19 B10R1.13 C=C(C)c1ccc(nc1)N 271570a_100000694244_100000187370 [0,0,0,0,0,0|4,0,0]=4 20 B10R1.13 C=C(C)c1ncc(cn1)O 271570a_100000694244_100000730009 [0,0,0,0,0,0|4,0,0]=4 21 B10R1.13 CC(=O)c1ccc(cc1)Br 1458a_100000185839_200000210301 [0,0,0,0,0,0|2,0,0]=2 22 B10R1.13 CC(=O)c1ccc(cc1)C 1458a_100000188618_200000210301 [0,0,0,0,0,0|2,0,0]=2 23 B10R1.13 CC(=O)c1ccc(cc1)Cl 1458a_100000210187_200000210301 [0,0,0,0,0,0|2,0,0]=2 24 B10R1.13 CC(=O)c1ccc(cc1)F 1458a_100000187176_200000210301 [0,0,0,0,0,0|2,0,0]=2 25 B10R1.13 CC(=O)c1ccc(cc1)I 1458a_100000187904_200000210301 [0,0,0,0,0,0|2,0,0]=2 26 B10R1.13 CC(=O)c1ccc(cc1)O 1458a_100000212099_200000210301 [0,0,0,0,0,0|1,0,0]=1 27 B10R1.13 CC(=O)c1ccc(cc1)O 271570a_203496583355_100000185465 [0,0,0,0,0,0|1,0,0]=1 28 B10R1.13 CC(=O)c1ccc(cn1)O 271570a_203496583355_100000686046 [0,0,0,0,0,0|2,0,0]=2 29 B10R1.13 CC(=O)c1ccc(nc1)O 271570a_203496583355_100000684857 [0,0,0,0,0,0|2,0,0]=2 30 B10R1.13 CC(=O)c1cnc(cn1)O 271570a_203496583355_100009883172 [0,0,0,0,0,0|3,0,0]=3 31 B10R1.13 CC(=O)c1cnc(nc1)O 271570a_203496583355_100000099681 [0,0,0,0,0,0|3,0,0]=3 32 B10R1.13 CC(=O)c1ncc(cn1)O 271570a_203496583355_100010077182 [0,0,0,0,0,0|3,0,0]=3 33 B10R1.13 CC(C)c1ccc(cc1)O 271570a_203496583355_100000750031 [0,0,0,0,0,0|2,0,1]=3 34 B10R1.13 CC(C)c1ccc(cn1)O 271570a_203496583355_100010255768 [0,0,0,0,0,0|3,0,1]=4 35 B10R1.13 CC(C)c1ccc(nc1)O 271570a_203496583355_200009815286 [0,0,0,0,0,0|3,0,1]=4 36 B10R1.13 CC(N)c1ccc(cn1)O 271570a_203496583355_100000723930 [0,0,0,0,0,0|3,0,1]=4 37 B10R1.13 CC(O)c1ccc(cc1)O 271570a_203496583355_100000745893 [0,0,0,0,0,0|1,0,1]=2 38 B10R1.13 CC(O)c1ccc(cn1)O 271570a_203496583355_100012353650 [0,0,0,0,0,0|2,0,1]=3 39 B10R1.13 CC(O)c1ccc(nc1)O 271570a_203496583355_200010274204 [0,0,0,0,0,0|2,0,1]=3 40 B10R1.13 CN(C)c1ccc(cc1)Br 2230a_100000219623_200000210301 [0,0,0,0,0,0|4,0,0]=4 41 B10R1.13 CN(C)c1ccc(cc1)Br 269982a_100000219623_200000210301 [0,0,0,0,0,0|4,0,0]=4 42 B10R1.13 CN(C)c1ccc(cc1)Br 34a_100000219623_200000210301 [0,0,0,0,0,0|4,0,0]=4 43 B10R1.13 CN(C)c1ccc(cc1)Cl 2230a_100020629279_200000210301 [0,0,0,0,0,0|4,0,0]=4 44 B10R1.13 CN(C)c1ccc(cc1)Cl 269982a_100020629279_200000210301 [0,0,0,0,0,0|4,0,0]=4 45 B10R1.13 CN(C)c1ccc(cc1)Cl 34a_100020629279_200000210301 [0,0,0,0,0,0|4,0,0]=4 46 B10R1.13 CN(C)c1ccc(cc1)F 2230a_100000219829_200000210301 [0,0,0,0,0,0|4,0,0]=4 47 B10R1.13 CN(C)c1ccc(cc1)F 269982a_100000219829_200000210301 [0,0,0,0,0,0|4,0,0]=4 48 B10R1.13 CN(C)c1ccc(cc1)F 34a_100000219829_200000210301 [0,0,0,0,0,0|4,0,0]=4 49 B10R1.13 CN(C)c1ccc(cc1)I 2230a_100000743151_200000210301 [0,0,0,0,0,0|4,0,0]=4 50 B10R1.13 CN(C)c1ccc(cc1)I 269982a_100000743151_200000210301 [0,0,0,0,0,0|4,0,0]=4 51 B10R1.13 CN(C)c1ccc(cc1)I 34a_100000743151_200000210301 [0,0,0,0,0,0|4,0,0]=4 52 B10R1.13 CN(C)c1ccc(cc1)O 269982a_100000182112_200000210301 [0,0,0,0,0,0|3,0,0]=3 53 B10R1.13 CN(C)c1ccc(cc1)O 271570a_203496583355_100000210421 [0,0,0,0,0,0|3,0,0]=3 54 B10R1.13 CN(C)c1ccc(cc1)O 34a_100000182112_200000210301 [0,0,0,0,0,0|3,0,0]=3 55 B10R1.13 CN(C)c1ccc(cn1)O 271570a_203496583355_100011465347 [0,0,0,0,0,0|4,0,0]=4 56 B10R1.13 CN(C)c1ccc(nc1)O 271570a_203496583355_100009992925 [0,0,0,0,0,0|4,0,0]=4 57 B10R1.13 CN([13CH3])c1ccc(cc1)Br 2230a_100000219623_200025704644 [0,0,0,0,0,0|4,0,0]=4 58 B10R1.13 CN([13CH3])c1ccc(cc1)Br 269982a_100000219623_200025704644 [0,0,0,0,0,0|4,0,0]=4 59 B10R1.13 CN([13CH3])c1ccc(cc1)Br 34a_100000219623_200025704644 [0,0,0,0,0,0|4,0,0]=4 60 B10R1.13 CN([13CH3])c1ccc(cc1)Cl 2230a_100020629279_200025704644 [0,0,0,0,0,0|4,0,0]=4 61 B10R1.13 CN([13CH3])c1ccc(cc1)Cl 269982a_100020629279_200025704644 [0,0,0,0,0,0|4,0,0]=4 62 B10R1.13 CN([13CH3])c1ccc(cc1)Cl 34a_100020629279_200025704644 [0,0,0,0,0,0|4,0,0]=4 63 B10R1.13 CN([13CH3])c1ccc(cc1)F 2230a_100000219829_200025704644 [0,0,0,0,0,0|4,0,0]=4 64 B10R1.13 CN([13CH3])c1ccc(cc1)F 269982a_100000219829_200025704644 [0,0,0,0,0,0|4,0,0]=4 65 B10R1.13 CN([13CH3])c1ccc(cc1)F 34a_100000219829_200025704644 [0,0,0,0,0,0|4,0,0]=4 66 B10R1.13 CN([13CH3])c1ccc(cc1)I 2230a_100000743151_200025704644 [0,0,0,0,0,0|4,0,0]=4 67 B10R1.13 CN([13CH3])c1ccc(cc1)I 269982a_100000743151_200025704644 [0,0,0,0,0,0|4,0,0]=4 68 B10R1.13 CN([13CH3])c1ccc(cc1)I 34a_100000743151_200025704644 [0,0,0,0,0,0|4,0,0]=4 69 B10R1.13 CN([13CH3])c1ccc(cc1)O 269982a_100000182112_200025704644 [0,0,0,0,0,0|3,0,0]=3 70 B10R1.13 CN([13CH3])c1ccc(cc1)O 34a_100000182112_200025704644 [0,0,0,0,0,0|3,0,0]=3 71 B10R1.13 CS(=O)c1ccc(cc1)O 271570a_203496583355_100009816266 [0,0,0,0,0,0|2,0,0]=2 72 B10R1.13 CS(=O)c1ncc(cn1)O 271570a_203496583355_100010117237 [0,0,0,0,0,0|4,0,0]=4 73 B10R1.13 C[C@@H](N)c1ccc(cc1)O 271570a_203496583355_100000720352 [0,0,0,0,0,0|2,0,1]=3 74 B10R1.13 C[C@H](N)c1ccc(cc1)O 271570a_203496583355_100000753911 [0,0,0,0,0,0|2,0,1]=3 75 B10R1.13 C[C@H](N)c1ccc(nc1)O 271570a_203496583355_100015387476 [0,0,0,0,0,0|3,0,1]=4 76 B10R1.13 Cc1ccc(cc1)C(=O)[13CH3] 1458a_100000188618_200025704644 [0,0,0,0,0,0|2,0,0]=2 77 B10R1.13 Cc1ccc(cc1)N(C)C 2230a_100000219977_200000210301 [0,0,0,0,0,0|4,0,0]=4 78 B10R1.13 Cc1ccc(cc1)N(C)C 269982a_100000219977_200000210301 [0,0,0,0,0,0|4,0,0]=4 79 B10R1.13 Cc1ccc(cc1)N(C)C 34a_100000219977_200000210301 [0,0,0,0,0,0|4,0,0]=4 80 B10R1.13 Cc1ccc(cc1)N(C)[13CH3] 2230a_100000219977_200025704644 [0,0,0,0,0,0|4,0,0]=4 81 B10R1.13 Cc1ccc(cc1)N(C)[13CH3] 269982a_100000219977_200025704644 [0,0,0,0,0,0|4,0,0]=4 82 B10R1.13 Cc1ccc(cc1)N(C)[13CH3] 34a_100000219977_200025704644 [0,0,0,0,0,0|4,0,0]=4 83 B10R1.13 NC(=O)c1ccc(cc1)O 271570a_203496583355_100000162191 [0,0,0,0,0,0|1,0,0]=1 84 B10R1.13 NC(=O)c1ccc(cn1)O 271570a_203496583355_100011219284 [0,0,0,0,0,0|2,0,0]=2 85 B10R1.13 NC(=O)c1ccc(nc1)O 271570a_203496583355_100000162237 [0,0,0,0,0,0|2,0,0]=2 86 B10R1.13 NC(=O)c1ccc(nn1)O 271570a_203496583355_100000761398 [0,0,0,0,0,0|3,0,0]=3 87 B10R1.13 NC(=O)c1cnc(cn1)O 271570a_203496583355_100000738300 [0,0,0,0,0,0|3,0,0]=3 88 B10R1.13 NC(=O)c1ncc(cn1)O 271570a_203496583355_100009996756 [0,0,0,0,0,0|3,0,0]=3 89 B10R1.13 OB(O)c1ccc(cc1)O 271570a_203496583355_100000754493 [0,0,0,0,0,0|1,0,1]=2 90 B10R1.13 OB(O)c1ccc(cn1)O 271570a_203496583355_200010198023 [0,0,0,0,0,0|2,0,1]=3 91 B10R1.13 OB(O)c1ccc(nc1)O 271570a_203496583355_100000688115 [0,0,0,0,0,0|2,0,1]=3 92 B10R1.13 Oc1ccc(cc1)C(F)F 271570a_203496583355_100010189923 [0,0,0,0,0,0|2,0,1]=3 93 B10R1.13 Oc1ccc(cn1)C(F)F 271570a_203496583355_100000720607 [0,0,0,0,0,0|3,0,1]=4 94 B10R1.13 Oc1ccc(nc1)C(F)F 271570a_203496583355_100010253924 [0,0,0,0,0,0|3,0,1]=4 95 B10R1.13 [13CH3]C(=O)c1ccc(cc1)Br 1458a_100000185839_200025704644 [0,0,0,0,0,0|2,0,0]=2 96 B10R1.13 [13CH3]C(=O)c1ccc(cc1)Cl 1458a_100000210187_200025704644 [0,0,0,0,0,0|2,0,0]=2 97 B10R1.13 [13CH3]C(=O)c1ccc(cc1)F 1458a_100000187176_200025704644 [0,0,0,0,0,0|2,0,0]=2 98 B10R1.13 [13CH3]C(=O)c1ccc(cc1)I 1458a_100000187904_200025704644 [0,0,0,0,0,0|2,0,0]=2 99 B10R1.13 [13CH3]C(=O)c1ccc(cc1)O 1458a_100000212099_200025704644 [0,0,0,0,0,0|1,0,0]=1 100 B9R1.1 C=Cc1cc[n+](cc1)[O-] 271570a_100011290941_100000039755 [1,0,0,0,0,0|2,0,1]=4 101 B9R1.1 C=Cc1ccc(=O)[nH]c1 271570a_100011290941_100000212171 [1,0,0,0,0,0|2,0,1]=4 102 B9R1.1 C=Cc1ccc(cc1)Br 271570a_100011290941_100000752885 [1,0,0,0,0,0|2,0,0]=3 103 B9R1.1 C=Cc1ccc(cc1)C 271570a_100011290941_100000186775 [1,0,0,0,0,0|2,0,0]=3 104 B9R1.1 C=Cc1ccc(cc1)Cl 271570a_100011290941_100000755918 [1,0,0,0,0,0|2,0,0]=3 105 B9R1.1 C=Cc1ccc(cc1)F 271570a_100011290941_100000211213 [1,0,0,0,0,0|2,0,0]=3 106 B9R1.1 C=Cc1ccc(cc1)N 271570a_100011290941_100000185761 [1,0,0,0,0,0|2,0,0]=3 107 B9R1.1 C=Cc1ccc(cc1)O 271570a_100011290941_100000185759 [1,0,0,0,0,0|1,0,0]=2 108 B9R1.1 C=Cc1ccc(cn1)Br 271570a_100011290941_100000686858 [1,0,0,0,0,0|3,0,0]=4 109 B9R1.1 C=Cc1ccc(cn1)C 271570a_100011290941_100000754016 [1,0,0,0,0,0|3,0,0]=4 110 B9R1.1 C=Cc1ccc(cn1)Cl 271570a_100011290941_100011356976 [1,0,0,0,0,0|3,0,0]=4 111 B9R1.1 C=Cc1ccc(cn1)F 271570a_100011290941_100000744514 [1,0,0,0,0,0|3,0,0]=4 112 B9R1.1 C=Cc1ccc(cn1)N 271570a_100011290941_100000744251 [1,0,0,0,0,0|3,0,0]=4 113 B9R1.1 C=Cc1ccc(cn1)O 271570a_100011290941_100000685995 [1,0,0,0,0,0|2,0,0]=3 114 B9R1.1 C=Cc1ccc(nc1)Br 271570a_100011290941_100009814638 [1,0,0,0,0,0|3,0,0]=4 115 B9R1.1 C=Cc1ccc(nc1)C 271570a_100011290941_100000751577 [1,0,0,0,0,0|3,0,0]=4 116 B9R1.1 C=Cc1ccc(nc1)Cl 271570a_100011290941_100000034144 [1,0,0,0,0,0|3,0,0]=4 117 B9R1.1 C=Cc1ccc(nc1)F 271570a_100011290941_100000748661 [1,0,0,0,0,0|3,0,0]=4 118 B9R1.1 C=Cc1ccc(nc1)N 271570a_100011290941_100000187370 [1,0,0,0,0,0|3,0,0]=4 119 B9R1.1 C=Cc1ncc(cn1)O 271570a_100011290941_100000730009 [1,0,0,0,0,0|3,0,0]=4 120 B9R1.1 CCc1ccc(cc1)O 271570a_203496583355_100011215824 [1,0,0,0,0,0|1,0,1]=3 121 B9R1.1 CCc1ccc(cn1)O 271570a_203496583355_100009820025 [1,0,0,0,0,0|2,0,1]=4 122 B9R1.1 CCc1ccc(nc1)O 271570a_203496583355_100009843584 [1,0,0,0,0,0|2,0,1]=4 123 B9R1.1 CNc1ccc(cc1)Br 2230a_100000210018_200000210301 [1,0,0,0,0,0|3,0,0]=4 124 B9R1.1 CNc1ccc(cc1)Br 34a_100000210018_200000210301 [1,0,0,0,0,0|3,0,0]=4 125 B9R1.1 CNc1ccc(cc1)C 34a_100000124888_200000210301 [1,0,0,0,0,0|3,0,0]=4 126 B9R1.1 CNc1ccc(cc1)Cl 2230a_100000210052_200000210301 [1,0,0,0,0,0|3,0,0]=4 127 B9R1.1 CNc1ccc(cc1)Cl 34a_100000210052_200000210301 [1,0,0,0,0,0|3,0,0]=4 128 B9R1.1 CNc1ccc(cc1)F 34a_100000185862_200000210301 [1,0,0,0,0,0|3,0,0]=4 129 B9R1.1 CNc1ccc(cc1)I 34a_100000185761_200000210301 [1,0,0,0,0,0|3,0,0]=4 130 B9R1.1 CNc1ccc(cc1)O 271570a_203496583355_100000219623 [1,0,0,0,0,0|2,0,0]=3 131 B9R1.1 CNc1ccc(cc1)O 34a_100000185829_200000210301 [1,0,0,0,0,0|2,0,0]=3 132 B9R1.1 CNc1ccc(cn1)O 271570a_203496583355_100000741341 [1,0,0,0,0,0|3,0,0]=4 133 B9R1.1 CNc1ccc(nc1)O 271570a_203496583355_100000764248 [1,0,0,0,0,0|3,0,0]=4 134 B9R1.1 COc1ccc(cc1)Br 34a_100000185759_200000210301 [1,0,0,0,0,0|3,0,0]=4 135 B9R1.1 COc1ccc(cc1)Br 7a_100000185759_200000210301 [1,0,0,0,0,0|3,0,0]=4 136 B9R1.1 COc1ccc(cc1)C 34a_100000210336_200000210301 [1,0,0,0,0,0|3,0,0]=4 137 B9R1.1 COc1ccc(cc1)C 7a_100000210336_200000210301 [1,0,0,0,0,0|3,0,0]=4 138 B9R1.1 COc1ccc(cc1)Cl 34a_100000210216_200000210301 [1,0,0,0,0,0|3,0,0]=4 139 B9R1.1 COc1ccc(cc1)Cl 7a_100000210216_200000210301 [1,0,0,0,0,0|3,0,0]=4 140 B9R1.1 COc1ccc(cc1)F 34a_100000210339_200000210301 [1,0,0,0,0,0|3,0,0]=4 141 B9R1.1 COc1ccc(cc1)I 34a_100000212066_200000210301 [1,0,0,0,0,0|3,0,0]=4 142 B9R1.1 COc1ccc(cc1)I 7a_100000212066_200000210301 [1,0,0,0,0,0|3,0,0]=4 143 B9R1.1 COc1ccc(cc1)N 34a_100000185829_200000210301 [1,0,0,0,0,0|3,0,0]=4 144 B9R1.1 COc1ccc(cc1)O 271570a_203496583355_100000171711 [1,0,0,0,0,0|2,0,0]=3 145 B9R1.1 COc1ccc(cn1)O 271570a_203496583355_100000047065 [1,0,0,0,0,0|3,0,0]=4 146 B9R1.1 COc1ccc(nc1)O 271570a_203496583355_100000755202 [1,0,0,0,0,0|3,0,0]=4 147 B9R1.1 CSc1ccc(cc1)Br 62a_100000752885_200000210301 [1,0,0,0,0,0|3,0,0]=4 148 B9R1.1 CSc1ccc(cc1)Br 62a_200000210301_100000752885 [1,0,0,0,0,0|3,0,0]=4 149 B9R1.1 CSc1ccc(cc1)C 62a_100000186775_200000210301 [1,0,0,0,0,0|3,0,0]=4 150 B9R1.1 CSc1ccc(cc1)C 62a_200000210301_100000186775 [1,0,0,0,0,0|3,0,0]=4 151 B9R1.1 CSc1ccc(cc1)Cl 62a_100000755918_200000210301 [1,0,0,0,0,0|3,0,0]=4 152 B9R1.1 CSc1ccc(cc1)Cl 62a_200000210301_100000755918 [1,0,0,0,0,0|3,0,0]=4 153 B9R1.1 CSc1ccc(cc1)F 62a_100000211213_200000210301 [1,0,0,0,0,0|3,0,0]=4 154 B9R1.1 CSc1ccc(cc1)F 62a_200000210301_100000211213 [1,0,0,0,0,0|3,0,0]=4 155 B9R1.1 CSc1ccc(cc1)N 62a_100000185761_200000210301 [1,0,0,0,0,0|3,0,0]=4 156 B9R1.1 CSc1ccc(cc1)N 62a_200000210301_100000185761 [1,0,0,0,0,0|3,0,0]=4 157 B9R1.1 CSc1ccc(cc1)O 271570a_203496583355_100011263217 [1,0,0,0,0,0|2,0,0]=3 158 B9R1.1 CSc1ccc(cc1)O 62a_200000210301_100000185759 [1,0,0,0,0,0|2,0,0]=3 159 B9R1.1 CSc1ccc(cn1)O 271570a_203496583355_100011408404 [1,0,0,0,0,0|3,0,0]=4 160 B9R1.1 CSc1ccc(cn1)O 62a_100000685995_200000210301 [1,0,0,0,0,0|3,0,0]=4 161 B9R1.1 CSc1ccc(cn1)O 62a_200000210301_100000744096 [1,0,0,0,0,0|3,0,0]=4 162 B9R1.1 CSc1ccc(nc1)O 271570a_203496583355_100009820866 [1,0,0,0,0,0|3,0,0]=4 163 B9R1.1 Cc1ccc(cc1)N[13CH3] 34a_100000124888_200025704644 [1,0,0,0,0,0|3,0,0]=4 164 B9R1.1 Cc1ccc(cc1)O[13CH3] 34a_100000210336_200025704644 [1,0,0,0,0,0|3,0,0]=4 165 B9R1.1 Cc1ccc(cc1)O[13CH3] 7a_100000210336_200025704644 [1,0,0,0,0,0|3,0,0]=4 166 B9R1.1 Cc1ccc(cc1)S[13CH3] 62a_100000186775_200025704644 [1,0,0,0,0,0|3,0,0]=4 167 B9R1.1 Cc1ccc(cc1)S[13CH3] 62a_200025704644_100000186775 [1,0,0,0,0,0|3,0,0]=4 168 B9R1.1 N#Cc1ccc(cc1)O 271570a_203496583355_100000179745 [1,0,0,0,0,0|1,0,1]=3 169 B9R1.1 N#Cc1ccc(cn1)O 271570a_203496583355_100000760455 [1,0,0,0,0,0|2,0,1]=4 170 B9R1.1 N#Cc1ccc(nc1)O 271570a_203496583355_100000241038 [1,0,0,0,0,0|2,0,1]=4 171 B9R1.1 NCc1ccc(cc1)O 271570a_203496583355_100016989417 [1,0,0,0,0,0|1,0,1]=3 172 B9R1.1 NCc1ccc(cn1)O 271570a_203496583355_100015188789 [1,0,0,0,0,0|2,0,1]=4 173 B9R1.1 NCc1ccc(nc1)O 271570a_203496583355_100009817727 [1,0,0,0,0,0|2,0,1]=4 174 B9R1.1 NNc1ccc(cc1)O 271570a_203496583355_100016988836 [1,0,0,0,0,0|2,0,0]=3 175 B9R1.1 NNc1ccc(cn1)O 271570a_203496583355_100000750576 [1,0,0,0,0,0|3,0,0]=4 176 B9R1.1 NNc1ccc(nc1)O 271570a_203496583355_100000119030 [1,0,0,0,0,0|3,0,0]=4 177 B9R1.1 O=Cc1ccc(cc1)O 271570a_203496583355_100000186029 [1,0,0,0,0,0|0,0,0]=1 178 B9R1.1 O=Cc1ccc(cn1)O 271570a_203496583355_100000754260 [1,0,0,0,0,0|1,0,0]=2 179 B9R1.1 O=Cc1ccc(nc1)O 271570a_203496583355_100000766901 [1,0,0,0,0,0|1,0,0]=2 180 B9R1.1 O=Cc1ccc(nn1)O 271570a_203496583355_100000044651 [1,0,0,0,0,0|2,0,0]=3 181 B9R1.1 O=Cc1cnc(cn1)O 271570a_203496583355_100012001714 [1,0,0,0,0,0|2,0,0]=3 182 B9R1.1 O=Cc1cnc(nc1)O 271570a_203496583355_100000070856 [1,0,0,0,0,0|2,0,0]=3 183 B9R1.1 OCc1ccc(cc1)O 271570a_203496583355_100000690907 [1,0,0,0,0,0|0,0,1]=2 184 B9R1.1 OCc1ccc(cn1)O 271570a_203496583355_100000754261 [1,0,0,0,0,0|1,0,1]=3 185 B9R1.1 OCc1ccc(nc1)O 271570a_203496583355_100009816760 [1,0,0,0,0,0|1,0,1]=3 186 B9R1.1 OCc1cnc(cn1)O 271570a_203496583355_100012002382 [1,0,0,0,0,0|2,0,1]=4 187 B9R1.1 OCc1cnc(nc1)O 271570a_203496583355_100009855073 [1,0,0,0,0,0|2,0,1]=4 188 B9R1.1 OCc1ncc(cn1)O 271570a_203496583355_100009867226 [1,0,0,0,0,0|2,0,1]=4 189 B9R1.1 Oc1ccc(cc1)CF 271570a_203496583355_100010268989 [1,0,0,0,0,0|1,0,1]=3 190 B9R1.1 [13CH3]Nc1ccc(cc1)Br 2230a_100000210018_200025704644 [1,0,0,0,0,0|3,0,0]=4 191 B9R1.1 [13CH3]Nc1ccc(cc1)Br 34a_100000210018_200025704644 [1,0,0,0,0,0|3,0,0]=4 192 B9R1.1 [13CH3]Nc1ccc(cc1)Cl 2230a_100000210052_200025704644 [1,0,0,0,0,0|3,0,0]=4 193 B9R1.1 [13CH3]Nc1ccc(cc1)Cl 34a_100000210052_200025704644 [1,0,0,0,0,0|3,0,0]=4 194 B9R1.1 [13CH3]Nc1ccc(cc1)F 34a_100000185862_200025704644 [1,0,0,0,0,0|3,0,0]=4 195 B9R1.1 [13CH3]Nc1ccc(cc1)I 34a_100000185761_200025704644 [1,0,0,0,0,0|3,0,0]=4 196 B9R1.1 [13CH3]Nc1ccc(cc1)O 34a_100000185829_200025704644 [1,0,0,0,0,0|2,0,0]=3 197 B9R1.1 [13CH3]Oc1ccc(cc1)Br 34a_100000185759_200025704644 [1,0,0,0,0,0|3,0,0]=4 198 B9R1.1 [13CH3]Oc1ccc(cc1)Br 7a_100000185759_200025704644 [1,0,0,0,0,0|3,0,0]=4 199 B9R1.1 [13CH3]Oc1ccc(cc1)Cl 34a_100000210216_200025704644 [1,0,0,0,0,0|3,0,0]=4 200 B9R1.1 [13CH3]Oc1ccc(cc1)Cl 7a_100000210216_200025704644 [1,0,0,0,0,0|3,0,0]=4 201 B9R1.1 [13CH3]Oc1ccc(cc1)F 34a_100000210339_200025704644 [1,0,0,0,0,0|3,0,0]=4 202 B9R1.1 [13CH3]Oc1ccc(cc1)I 34a_100000212066_200025704644 [1,0,0,0,0,0|3,0,0]=4 203 B9R1.1 [13CH3]Oc1ccc(cc1)I 7a_100000212066_200025704644 [1,0,0,0,0,0|3,0,0]=4 204 B9R1.1 [13CH3]Oc1ccc(cc1)N 34a_100000185829_200025704644 [1,0,0,0,0,0|3,0,0]=4 205 B9R1.1 [13CH3]Sc1ccc(cc1)Br 62a_100000752885_200025704644 [1,0,0,0,0,0|3,0,0]=4 206 B9R1.1 [13CH3]Sc1ccc(cc1)Br 62a_200025704644_100000752885 [1,0,0,0,0,0|3,0,0]=4 207 B9R1.1 [13CH3]Sc1ccc(cc1)Cl 62a_100000755918_200025704644 [1,0,0,0,0,0|3,0,0]=4 208 B9R1.1 [13CH3]Sc1ccc(cc1)Cl 62a_200025704644_100000755918 [1,0,0,0,0,0|3,0,0]=4 209 B9R1.1 [13CH3]Sc1ccc(cc1)F 62a_100000211213_200025704644 [1,0,0,0,0,0|3,0,0]=4 210 B9R1.1 [13CH3]Sc1ccc(cc1)F 62a_200025704644_100000211213 [1,0,0,0,0,0|3,0,0]=4 211 B9R1.1 [13CH3]Sc1ccc(cc1)N 62a_100000185761_200025704644 [1,0,0,0,0,0|3,0,0]=4 212 B9R1.1 [13CH3]Sc1ccc(cc1)N 62a_200025704644_100000185761 [1,0,0,0,0,0|3,0,0]=4 213 B9R1.1 [13CH3]Sc1ccc(cc1)O 62a_200025704644_100000185759 [1,0,0,0,0,0|2,0,0]=3 214 B9R1.1 [13CH3]Sc1ccc(cn1)O 62a_100000685995_200025704644 [1,0,0,0,0,0|3,0,0]=4 215 B9R1.1 [13CH3]Sc1ccc(cn1)O 62a_200025704644_100000744096 [1,0,0,0,0,0|3,0,0]=4 216 B9R1.6 C=C(C)c1ccccc1 271570a_100000694244_100000210277 [1,0,0,0,0,0|2,0,0]=3 217 B9R1.6 C=C(C)c1ccccn1 271570a_100000694244_100011216584 [1,0,0,0,0,0|3,0,0]=4 218 B9R1.6 C=C(C)c1cccnc1 271570a_100000694244_100000752921 [1,0,0,0,0,0|3,0,0]=4 219 B9R1.6 C=C(C)c1ccncc1 271570a_100000694244_100000035832 [1,0,0,0,0,0|3,0,0]=4 220 B9R1.6 CC(=O)c1ccccc1 1458a_100000185807_200000210301 [1,0,0,0,0,0|1,0,0]=2 221 B9R1.6 CN(C)c1ccccc1 2230a_100000210012_200000210301 [1,0,0,0,0,0|3,0,0]=4 222 B9R1.6 CN(C)c1ccccc1 269982a_100000210012_200000210301 [1,0,0,0,0,0|3,0,0]=4 223 B9R1.6 CN(C)c1ccccc1 34a_100000210012_200000210301 [1,0,0,0,0,0|3,0,0]=4 224 B9R1.6 CN([13CH3])c1ccccc1 2230a_100000210012_200025704644 [1,0,0,0,0,0|3,0,0]=4 225 B9R1.6 CN([13CH3])c1ccccc1 269982a_100000210012_200025704644 [1,0,0,0,0,0|3,0,0]=4 226 B9R1.6 CN([13CH3])c1ccccc1 34a_100000210012_200025704644 [1,0,0,0,0,0|3,0,0]=4 227 B9R1.6 [13CH3]C(=O)c1ccccc1 1458a_100000185807_200025704644 [1,0,0,0,0,0|1,0,0]=2 228 B11R1.3 C#Cc1ccc(cc1)C(=O)C 1458a_100011217615_200000210301 [0,1,0,0,0,0|2,0,0]=3 229 B11R1.3 C#Cc1ccc(cc1)C(=O)[13CH3] 1458a_100011217615_200025704644 [0,1,0,0,0,0|2,0,0]=3 230 B11R1.3 C=C(C)c1ccc(cc1)C#N 271570a_100000694244_100000179745 [0,1,0,0,0,0|3,0,0]=4 231 B11R1.3 C=C(C)c1ccc(cc1)C=O 271570a_100000694244_100000186029 [0,1,0,0,0,0|2,0,1]=4 232 B11R1.3 C=C(C)c1ccc(cc1)CC 271570a_100000694244_100011215824 [0,1,0,0,0,0|3,0,0]=4 233 B11R1.3 C=C(C)c1ccc(cc1)CF 271570a_100000694244_100010268989 [0,1,0,0,0,0|3,0,0]=4 234 B11R1.3 C=C(C)c1ccc(cc1)CN 271570a_100000694244_100016989417 [0,1,0,0,0,0|3,0,0]=4 235 B11R1.3 C=C(C)c1ccc(cc1)CO 271570a_100000694244_100000690907 [0,1,0,0,0,0|2,0,0]=3 236 B11R1.3 C=C(C)c1ccc(cc1)NC 271570a_100000694244_100000219623 [0,1,0,0,0,0|3,0,0]=4 237 B11R1.3 C=C(C)c1ccc(cc1)NN 271570a_100000694244_100016988836 [0,1,0,0,0,0|3,0,0]=4 238 B11R1.3 C=C(C)c1ccc(cc1)OC 271570a_100000694244_100000171711 [0,1,0,0,0,0|2,0,0]=3 239 B11R1.3 C=C(C)c1ccc(cc1)OC 34a_100009880102_200000210301 [0,1,0,0,0,0|2,0,0]=3 240 B11R1.3 C=C(C)c1ccc(cc1)OC 7a_100009880102_200000210301 [0,1,0,0,0,0|2,0,0]=3 241 B11R1.3 C=C(C)c1ccc(cc1)O[13CH3] 34a_100009880102_200025704644 [0,1,0,0,0,0|2,0,0]=3 242 B11R1.3 C=C(C)c1ccc(cc1)O[13CH3] 7a_100009880102_200025704644 [0,1,0,0,0,0|2,0,0]=3 243 B11R1.3 C=C(C)c1ccc(cc1)SC 271570a_100000694244_100011263217 [0,1,0,0,0,0|2,1,0]=4 244 B11R1.3 C=C(C)c1ccc(cc1)SC 62a_100000185454_200000210301 [0,1,0,0,0,0|2,1,0]=4 245 B11R1.3 C=C(C)c1ccc(cc1)SC 62a_200000210301_100000185454 [0,1,0,0,0,0|2,1,0]=4 246 B11R1.3 C=C(C)c1ccc(cc1)S[13CH3] 62a_100000185454_200025704644 [0,1,0,0,0,0|2,1,0]=4 247 B11R1.3 C=C(C)c1ccc(cc1)S[13CH3] 62a_200025704644_100000185454 [0,1,0,0,0,0|2,1,0]=4 248 B11R1.3 C=C(C)c1ccc(cn1)CO 271570a_100000694244_100009816760 [0,1,0,0,0,0|3,0,0]=4 249 B11R1.3 C=C(C)c1ccc(cn1)OC 271570a_100000694244_100000755202 [0,1,0,0,0,0|3,0,0]=4 250 B11R1.3 C=C(C)c1ccc(nc1)CO 271570a_100000694244_100000754261 [0,1,0,0,0,0|3,0,0]=4 251 B11R1.3 C=C(C)c1ccc(nc1)OC 271570a_100000694244_100000047065 [0,1,0,0,0,0|3,0,0]=4 252 B11R1.3 C=Cc1ccc(cc1)B(O)O 271570a_100011290941_100000754493 [0,1,0,0,0,0|2,0,1]=4 253 B11R1.3 C=Cc1ccc(cc1)C(=C)C 271570a_100011290941_100000185454 [0,1,0,0,0,0|3,0,0]=4 254 B11R1.3 C=Cc1ccc(cc1)C(=O)C 1458a_100000687532_200000210301 [0,1,0,0,0,0|2,0,0]=3 255 B11R1.3 C=Cc1ccc(cc1)C(=O)C 271570a_100011290941_100000185465 [0,1,0,0,0,0|2,0,0]=3 256 B11R1.3 C=Cc1ccc(cc1)C(=O)N 271570a_100011290941_100000162191 [0,1,0,0,0,0|2,0,0]=3 257 B11R1.3 C=Cc1ccc(cc1)C(=O)[13CH3] 1458a_100000687532_200025704644 [0,1,0,0,0,0|2,0,0]=3 258 B11R1.3 C=Cc1ccc(cc1)C(C)O 271570a_100011290941_100000745893 [0,1,0,0,0,0|2,0,1]=4 259 B11R1.3 C=Cc1ccc(cc1)S(=O)C 271570a_100011290941_100009816266 [0,1,0,0,0,0|3,0,0]=4 260 B11R1.3 C=Cc1ccc(cn1)C(=O)C 271570a_100011290941_100000684857 [0,1,0,0,0,0|3,0,0]=4 261 B11R1.3 C=Cc1ccc(cn1)C(=O)N 271570a_100011290941_100000162237 [0,1,0,0,0,0|3,0,0]=4 262 B11R1.3 C=Cc1ccc(nc1)C(=O)C 271570a_100011290941_100000686046 [0,1,0,0,0,0|3,0,0]=4 263 B11R1.3 C=Cc1ccc(nc1)C(=O)N 271570a_100011290941_100011219284 [0,1,0,0,0,0|3,0,0]=4 264 B11R1.3 CC(=O)c1ccc(cc1)C#N 1458a_100000210717_200000210301 [0,1,0,0,0,0|2,0,0]=3 265 B11R1.3 CC(=O)c1ccc(cc1)CO 1458a_100000183892_200000210301 [0,1,0,0,0,0|1,0,0]=2 266 B11R1.3 CC(=O)c1ccc(cc1)O[13CH3] 34a_100000185113_200025704644 [0,1,0,0,0,0|1,0,0]=2 267 B11R1.3 CC(=O)c1ccc(cc1)O[13CH3] 7a_100000185113_200025704644 [0,1,0,0,0,0|1,0,0]=2 268 B11R1.3 CC(=O)c1ccc(cc1)S[13CH3] 62a_100000185465_200025704644 [0,1,0,0,0,0|1,1,0]=3 269 B11R1.3 CC(=O)c1ccc(cc1)S[13CH3] 62a_200025704644_100000185465 [0,1,0,0,0,0|1,1,0]=3 270 B11R1.3 CC(=O)c1ccc(cn1)O[13CH3] 34a_100012001710_200025704644 [0,1,0,0,0,0|2,0,0]=3 271 B11R1.3 CC(=O)c1ccc(cn1)O[13CH3] 7a_100012001710_200025704644 [0,1,0,0,0,0|2,0,0]=3 272 B11R1.3 CC(=O)c1ccc(cn1)S[13CH3] 62a_100000686046_200025704644 [0,1,0,0,0,0|2,1,0]=4 273 B11R1.3 CC(=O)c1ccc(cn1)S[13CH3] 62a_200025704644_100000686046 [0,1,0,0,0,0|2,1,0]=4 274 B11R1.3 CC(=O)c1ccc(nc1)S[13CH3] 62a_100000684857_200025704644 [0,1,0,0,0,0|2,1,0]=4 275 B11R1.3 CC(=O)c1ccc(nc1)S[13CH3] 62a_200025704644_100000684857 [0,1,0,0,0,0|2,1,0]=4 276 B11R1.3 CC(C)c1ccc(cc1)O[13CH3] 34a_100000181308_200025704644 [0,1,0,0,0,0|2,0,1]=4 277 B11R1.3 CC(C)c1ccc(cc1)O[13CH3] 7a_100000181308_200025704644 [0,1,0,0,0,0|2,0,1]=4 278 B11R1.3 CC(O)c1ccc(cc1)N[13CH3] 2230a_100011216399_200025704644 [0,1,0,0,0,0|2,0,1]=4 279 B11R1.3 CC(O)c1ccc(cc1)N[13CH3] 34a_100011216399_200025704644 [0,1,0,0,0,0|2,0,1]=4 280 B11R1.3 CC(O)c1ccc(cc1)O[13CH3] 34a_100000754508_200025704644 [0,1,0,0,0,0|1,0,1]=3 281 B11R1.3 CC(O)c1ccc(cc1)O[13CH3] 7a_100000754508_200025704644 [0,1,0,0,0,0|1,0,1]=3 282 B11R1.3 CC(O)c1ccc(cc1)S[13CH3] 62a_100000745893_200025704644 [0,1,0,0,0,0|1,1,1]=4 283 B11R1.3 CC(O)c1ccc(cc1)S[13CH3] 62a_200025704644_100000745893 [0,1,0,0,0,0|1,1,1]=4 284 B11R1.3 CCc1ccc(cc1)C(=O)C 1458a_100000211226_200000210301 [0,1,0,0,0,0|2,0,0]=3 285 B11R1.3 CCc1ccc(cc1)C(=O)[13CH3] 1458a_100000211226_200025704644 [0,1,0,0,0,0|2,0,0]=3 286 B11R1.3 CN(C)c1ccc(cc1)O[13CH3] 34a_100000718910_200025704644 [0,1,0,0,0,0|3,0,0]=4 287 B11R1.3 CNc1ccc(cc1)C(=O)N 27a_100102657272_100000162191 [0,1,0,0,0,0|2,0,0]=3 288 B11R1.3 CNc1ccc(cc1)C(=O)N 34a_100000210537_200000210301 [0,1,0,0,0,0|2,0,0]=3 289 B11R1.3 CNc1ccc(cc1)C(C)O 2230a_100011216399_200000210301 [0,1,0,0,0,0|2,0,1]=4 290 B11R1.3 CNc1ccc(cc1)C(C)O 34a_100011216399_200000210301 [0,1,0,0,0,0|2,0,1]=4 291 B11R1.3 CNc1ccc(cc1)[N+](=O)[O-] 2230a_100015195142_200000210301 [0,1,0,0,0,0|2,0,1]=4 292 B11R1.3 CNc1ccc(cc1)[N+](=O)[O-] 34a_100015195142_200000210301 [0,1,0,0,0,0|2,0,1]=4 293 B11R1.3 CNc1ccc(cn1)C(=O)C 27a_100102657272_100000690552 [0,1,0,0,0,0|3,0,0]=4 294 B11R1.3 CNc1ccc(cn1)C(=O)N 27a_100102657272_100000162237 [0,1,0,0,0,0|3,0,0]=4 295 B11R1.3 COc1ccc(cc1)C(=O)C 1458a_100000184203_200000210301 [0,1,0,0,0,0|1,0,0]=2 296 B11R1.3 COc1ccc(cc1)C(=O)C 34a_100000185113_200000210301 [0,1,0,0,0,0|1,0,0]=2 297 B11R1.3 COc1ccc(cc1)C(=O)C 7a_100000185113_200000210301 [0,1,0,0,0,0|1,0,0]=2 298 B11R1.3 COc1ccc(cc1)C(=O)N 34a_100000746352_200000210301 [0,1,0,0,0,0|1,0,0]=2 299 B11R1.3 COc1ccc(cc1)C(=O)N 7a_100000746352_200000210301 [0,1,0,0,0,0|1,0,0]=2 300 B11R1.3 COc1ccc(cc1)C(=O)[13CH3] 1458a_100000184203_200025704644 [0,1,0,0,0,0|1,0,0]=2 301 B11R1.3 COc1ccc(cc1)C(C)C 34a_100000181308_200000210301 [0,1,0,0,0,0|2,0,1]=4 302 B11R1.3 COc1ccc(cc1)C(C)C 7a_100000181308_200000210301 [0,1,0,0,0,0|2,0,1]=4 303 B11R1.3 COc1ccc(cc1)C(C)O 34a_100000754508_200000210301 [0,1,0,0,0,0|1,0,1]=3 304 B11R1.3 COc1ccc(cc1)C(C)O 7a_100000754508_200000210301 [0,1,0,0,0,0|1,0,1]=3 305 B11R1.3 COc1ccc(cc1)N(C)C 2230a_100000220023_200000210301 [0,1,0,0,0,0|3,0,0]=4 306 B11R1.3 COc1ccc(cc1)N(C)C 269982a_100000220023_200000210301 [0,1,0,0,0,0|3,0,0]=4 307 B11R1.3 COc1ccc(cc1)N(C)C 34a_100000220023_200000210301 [0,1,0,0,0,0|3,0,0]=4 308 B11R1.3 COc1ccc(cc1)N(C)C 34a_100000718910_200000210301 [0,1,0,0,0,0|3,0,0]=4 309 B11R1.3 COc1ccc(cc1)N(C)[13CH3] 2230a_100000220023_200025704644 [0,1,0,0,0,0|3,0,0]=4 310 B11R1.3 COc1ccc(cc1)N(C)[13CH3] 269982a_100000220023_200025704644 [0,1,0,0,0,0|3,0,0]=4 311 B11R1.3 COc1ccc(cc1)N(C)[13CH3] 34a_100000220023_200025704644 [0,1,0,0,0,0|3,0,0]=4 312 B11R1.3 COc1ccc(cc1)S(=O)C 34a_200000064373_200000210301 [0,1,0,0,0,0|2,0,0]=3 313 B11R1.3 COc1ccc(cc1)S(=O)C 7a_200000064373_200000210301 [0,1,0,0,0,0|2,0,0]=3 314 B11R1.3 COc1ccc(cc1)[C@H](C)N 34a_100161106496_200000210301 [0,1,0,0,0,0|2,0,1]=4 315 B11R1.3 COc1ccc(cc1)[N+](=O)[O-] 34a_100000185810_200000210301 [0,1,0,0,0,0|1,0,1]=3 316 B11R1.3 COc1ccc(cc1)[N+](=O)[O-] 7a_100000185810_200000210301 [0,1,0,0,0,0|1,0,1]=3 317 B11R1.3 COc1ccc(cc1)[S+](C)C 34a_100010188728_200000210301 [0,1,0,0,0,0|3,0,0]=4 318 B11R1.3 COc1ccc(cc1)[S+](C)C 7a_100010188728_200000210301 [0,1,0,0,0,0|3,0,0]=4 319 B11R1.3 COc1ccc(nc1)C(=O)C 34a_100012001710_200000210301 [0,1,0,0,0,0|2,0,0]=3 320 B11R1.3 COc1ccc(nc1)C(=O)C 7a_100012001710_200000210301 [0,1,0,0,0,0|2,0,0]=3 321 B11R1.3 COc1ccc(nc1)[N+](=O)[O-] 7a_100000060138_200000210301 [0,1,0,0,0,0|2,0,1]=4 322 B11R1.3 CS(=O)c1ccc(cc1)O[13CH3] 34a_200000064373_200025704644 [0,1,0,0,0,0|2,0,0]=3 323 B11R1.3 CS(=O)c1ccc(cc1)O[13CH3] 7a_200000064373_200025704644 [0,1,0,0,0,0|2,0,0]=3 324 B11R1.3 CS(=O)c1ccc(cc1)S[13CH3] 62a_100009816266_200025704644 [0,1,0,0,0,0|2,1,0]=4 325 B11R1.3 CSc1ccc(cc1)B(O)O 62a_100000754493_200000210301 [0,1,0,0,0,0|1,1,1]=4 326 B11R1.3 CSc1ccc(cc1)B(O)O 62a_200000210301_100000754493 [0,1,0,0,0,0|1,1,1]=4 327 B11R1.3 CSc1ccc(cc1)C(=O)C 1458a_100000189692_200000210301 [0,1,0,0,0,0|1,1,0]=3 328 B11R1.3 CSc1ccc(cc1)C(=O)C 62a_100000185465_200000210301 [0,1,0,0,0,0|1,1,0]=3 329 B11R1.3 CSc1ccc(cc1)C(=O)C 62a_200000210301_100000185465 [0,1,0,0,0,0|1,1,0]=3 330 B11R1.3 CSc1ccc(cc1)C(=O)N 62a_100000162191_200000210301 [0,1,0,0,0,0|1,1,0]=3 331 B11R1.3 CSc1ccc(cc1)C(=O)N 62a_200000210301_100000162191 [0,1,0,0,0,0|1,1,0]=3 332 B11R1.3 CSc1ccc(cc1)C(=O)[13CH3] 1458a_100000189692_200025704644 [0,1,0,0,0,0|1,1,0]=3 333 B11R1.3 CSc1ccc(cc1)C(C)O 62a_100000745893_200000210301 [0,1,0,0,0,0|1,1,1]=4 334 B11R1.3 CSc1ccc(cc1)C(C)O 62a_200000210301_100000745893 [0,1,0,0,0,0|1,1,1]=4 335 B11R1.3 CSc1ccc(cc1)S(=O)C 62a_100009816266_200000210301 [0,1,0,0,0,0|2,1,0]=4 336 B11R1.3 CSc1ccc(cn1)C(=O)C 62a_100000684857_200000210301 [0,1,0,0,0,0|2,1,0]=4 337 B11R1.3 CSc1ccc(cn1)C(=O)C 62a_200000210301_100000684857 [0,1,0,0,0,0|2,1,0]=4 338 B11R1.3 CSc1ccc(cn1)C(=O)N 62a_100000162237_200000210301 [0,1,0,0,0,0|2,1,0]=4 339 B11R1.3 CSc1ccc(cn1)C(=O)N 62a_200000210301_100000162237 [0,1,0,0,0,0|2,1,0]=4 340 B11R1.3 CSc1ccc(nc1)C(=O)C 62a_100000686046_200000210301 [0,1,0,0,0,0|2,1,0]=4 341 B11R1.3 CSc1ccc(nc1)C(=O)C 62a_200000210301_100000686046 [0,1,0,0,0,0|2,1,0]=4 342 B11R1.3 CSc1ccc(nc1)C(=O)N 62a_100011219284_200000210301 [0,1,0,0,0,0|2,1,0]=4 343 B11R1.3 CSc1ccc(nc1)C(=O)N 62a_200000210301_100011219284 [0,1,0,0,0,0|2,1,0]=4 344 B11R1.3 C[C@H](N)c1ccc(cc1)O[13CH3] 34a_100161106496_200025704644 [0,1,0,0,0,0|2,0,1]=4 345 B11R1.3 C[S+](C)c1ccc(cc1)O[13CH3] 34a_100010188728_200025704644 [0,1,0,0,0,0|3,0,0]=4 346 B11R1.3 C[S+](C)c1ccc(cc1)O[13CH3] 7a_100010188728_200025704644 [0,1,0,0,0,0|3,0,0]=4 347 B11R1.3 [13CH3]C(=O)c1ccc(cc1)C#N 1458a_100000210717_200025704644 [0,1,0,0,0,0|2,0,0]=3 348 B11R1.3 [13CH3]C(=O)c1ccc(cc1)CO 1458a_100000183892_200025704644 [0,1,0,0,0,0|1,0,0]=2 349 B11R1.3 [13CH3]Nc1ccc(cc1)C(=O)N 34a_100000210537_200025704644 [0,1,0,0,0,0|2,0,0]=3 350 B11R1.3 [13CH3]Nc1ccc(cc1)[N+](=O)[O-] 2230a_100015195142_200025704644 [0,1,0,0,0,0|2,0,1]=4 351 B11R1.3 [13CH3]Nc1ccc(cc1)[N+](=O)[O-] 34a_100015195142_200025704644 [0,1,0,0,0,0|2,0,1]=4 352 B11R1.3 [13CH3]Oc1ccc(cc1)C(=O)N 34a_100000746352_200025704644 [0,1,0,0,0,0|1,0,0]=2 353 B11R1.3 [13CH3]Oc1ccc(cc1)C(=O)N 7a_100000746352_200025704644 [0,1,0,0,0,0|1,0,0]=2 354 B11R1.3 [13CH3]Oc1ccc(cc1)[N+](=O)[O-] 34a_100000185810_200025704644 [0,1,0,0,0,0|1,0,1]=3 355 B11R1.3 [13CH3]Oc1ccc(cc1)[N+](=O)[O-] 7a_100000185810_200025704644 [0,1,0,0,0,0|1,0,1]=3 356 B11R1.3 [13CH3]Oc1ccc(nc1)[N+](=O)[O-] 7a_100000060138_200025704644 [0,1,0,0,0,0|2,0,1]=4 357 B11R1.3 [13CH3]Sc1ccc(cc1)B(O)O 62a_100000754493_200025704644 [0,1,0,0,0,0|1,1,1]=4 358 B11R1.3 [13CH3]Sc1ccc(cc1)B(O)O 62a_200025704644_100000754493 [0,1,0,0,0,0|1,1,1]=4 359 B11R1.3 [13CH3]Sc1ccc(cc1)C(=O)N 62a_100000162191_200025704644 [0,1,0,0,0,0|1,1,0]=3 360 B11R1.3 [13CH3]Sc1ccc(cc1)C(=O)N 62a_200025704644_100000162191 [0,1,0,0,0,0|1,1,0]=3 361 B11R1.3 [13CH3]Sc1ccc(cn1)C(=O)N 62a_100000162237_200025704644 [0,1,0,0,0,0|2,1,0]=4 362 B11R1.3 [13CH3]Sc1ccc(cn1)C(=O)N 62a_200025704644_100000162237 [0,1,0,0,0,0|2,1,0]=4 363 B11R1.3 [13CH3]Sc1ccc(nc1)C(=O)N 62a_100011219284_200025704644 [0,1,0,0,0,0|2,1,0]=4 364 B11R1.3 [13CH3]Sc1ccc(nc1)C(=O)N 62a_200025704644_100011219284 [0,1,0,0,0,0|2,1,0]=4 365 B11R1.19 CC(C)(C)c1ccc(cc1)O 271570a_203496583355_100011215385 [0,1,0,0,0,0|2,0,1]=4 366 B11R1.19 CC(C)(N)c1ccc(cc1)O 271570a_203496583355_100000739617 [0,1,0,0,0,0|2,0,1]=4 367 B11R1.19 CC(C)(O)c1ccc(cc1)O 271570a_203496583355_100000753367 [0,1,0,0,0,0|1,0,1]=3 368 B11R1.19 CC(C)(O)c1ccc(cn1)O 271570a_203496583355_100010246419 [0,1,0,0,0,0|2,0,1]=4 369 B11R1.19 CC(C)(O)c1ccc(nc1)O 271570a_203496583355_100010080785 [0,1,0,0,0,0|2,0,1]=4 370 B11R1.19 CC(F)(F)c1ccc(cc1)O 271570a_203496583355_100009817129 [0,1,0,0,0,0|2,0,1]=4 371 B11R1.19 CS(=O)(=O)c1ccc(cc1)O 271570a_203496583355_100000765142 [0,1,0,0,0,0|1,0,1]=3 372 B11R1.19 CS(=O)(=O)c1ccc(cn1)O 271570a_203496583355_100009814649 [0,1,0,0,0,0|2,0,1]=4 373 B11R1.19 CS(=O)(=O)c1ccc(nc1)O 271570a_203496583355_100009816761 [0,1,0,0,0,0|2,0,1]=4 374 B11R1.19 C[Si](C)(C)c1ccc(cc1)O 271570a_203496583355_100009813420 [0,1,0,0,0,0|2,1,0]=4 375 B11R1.19 NS(=O)(=O)c1ccc(cc1)O 271570a_203496583355_100000701559 [0,1,0,0,0,0|1,0,1]=3 376 B11R1.19 NS(=O)(=O)c1ccc(cn1)O 271570a_203496583355_200000753255 [0,1,0,0,0,0|2,0,1]=4 377 B11R1.19 NS(=O)(=O)c1ccc(nc1)O 271570a_203496583355_100000164566 [0,1,0,0,0,0|2,0,1]=4 378 B11R1.19 Oc1ccc(cc1)C(F)(F)F 271570a_203496583355_100000727837 [0,1,0,0,0,0|2,0,1]=4 379 B11R1.21 C=C(C)c1cc(c(cn1)O)C 271570a_100000694244_100000692680 [0,1,0,0,0,0|3,0,0]=4 380 B11R1.21 C=C(C)c1cc(c(cn1)O)N 271570a_100000694244_100009819941 [0,1,0,0,0,0|3,0,0]=4 381 B11R1.21 C=C(C)c1ccc(c(c1)Br)Br 271570a_100000694244_100012356285 [0,1,0,0,0,0|3,0,0]=4 382 B11R1.21 C=C(C)c1ccc(c(c1)Br)C 271570a_100000694244_100011847877 [0,1,0,0,0,0|3,0,0]=4 383 B11R1.21 C=C(C)c1ccc(c(c1)Br)Cl 271570a_100000694244_100012353702 [0,1,0,0,0,0|3,0,0]=4 384 B11R1.21 C=C(C)c1ccc(c(c1)Br)F 271570a_100000694244_100012047266 [0,1,0,0,0,0|3,0,0]=4 385 B11R1.21 C=C(C)c1ccc(c(c1)Br)N 271570a_100000694244_100000750455 [0,1,0,0,0,0|3,0,0]=4 386 B11R1.21 C=C(C)c1ccc(c(c1)Br)O 271570a_100000694244_100012361655 [0,1,0,0,0,0|2,0,0]=3 387 B11R1.21 C=C(C)c1ccc(c(c1)C)Br 271570a_100000694244_100009813585 [0,1,0,0,0,0|3,0,0]=4 388 B11R1.21 C=C(C)c1ccc(c(c1)C)C 271570a_100000694244_100011215607 [0,1,0,0,0,0|3,0,0]=4 389 B11R1.21 C=C(C)c1ccc(c(c1)C)Cl 271570a_100000694244_100000049509 [0,1,0,0,0,0|3,0,0]=4 390 B11R1.21 C=C(C)c1ccc(c(c1)C)F 271570a_100000694244_100011218330 [0,1,0,0,0,0|3,0,0]=4 391 B11R1.21 C=C(C)c1ccc(c(c1)C)N 271570a_100000694244_100000211769 [0,1,0,0,0,0|3,0,0]=4 392 B11R1.21 C=C(C)c1ccc(c(c1)C)O 271570a_100000694244_100000186361 [0,1,0,0,0,0|2,0,0]=3 393 B11R1.21 C=C(C)c1ccc(c(c1)Cl)Br 271570a_100000694244_100012047281 [0,1,0,0,0,0|3,0,0]=4 394 B11R1.21 C=C(C)c1ccc(c(c1)Cl)C 271570a_100000694244_100011216363 [0,1,0,0,0,0|3,0,0]=4 395 B11R1.21 C=C(C)c1ccc(c(c1)Cl)Cl 271570a_100000694244_100011214914 [0,1,0,0,0,0|3,0,0]=4 396 B11R1.21 C=C(C)c1ccc(c(c1)Cl)F 271570a_100000694244_100011215976 [0,1,0,0,0,0|3,0,0]=4 397 B11R1.21 C=C(C)c1ccc(c(c1)Cl)N 271570a_100000694244_100011218065 [0,1,0,0,0,0|3,0,0]=4 398 B11R1.21 C=C(C)c1ccc(c(c1)Cl)O 271570a_100000694244_100012360047 [0,1,0,0,0,0|2,0,0]=3 399 B11R1.21 C=C(C)c1ccc(c(c1)F)Br 271570a_100000694244_100000685389 [0,1,0,0,0,0|3,0,0]=4 400 B11R1.21 C=C(C)c1ccc(c(c1)F)C 271570a_100000694244_100000720648 [0,1,0,0,0,0|3,0,0]=4 401 B11R1.21 C=C(C)c1ccc(c(c1)F)Cl 271570a_100000694244_100011216805 [0,1,0,0,0,0|3,0,0]=4 402 B11R1.21 C=C(C)c1ccc(c(c1)F)F 271570a_100000694244_100000750028 [0,1,0,0,0,0|3,0,0]=4 403 B11R1.21 C=C(C)c1ccc(c(c1)F)N 271570a_100000694244_100011215594 [0,1,0,0,0,0|3,0,0]=4 404 B11R1.21 C=C(C)c1ccc(c(c1)F)O 271570a_100000694244_100000185481 [0,1,0,0,0,0|2,0,0]=3 405 B11R1.21 C=C(C)c1ccc(c(c1)N)Br 271570a_100000694244_100000750456 [0,1,0,0,0,0|3,0,0]=4 406 B11R1.21 C=C(C)c1ccc(c(c1)N)C 271570a_100000694244_100000761890 [0,1,0,0,0,0|3,0,0]=4 407 B11R1.21 C=C(C)c1ccc(c(c1)N)Cl 271570a_100000694244_200000761891 [0,1,0,0,0,0|3,0,0]=4 408 B11R1.21 C=C(C)c1ccc(c(c1)N)F 271570a_100000694244_100000740924 [0,1,0,0,0,0|3,0,0]=4 409 B11R1.21 C=C(C)c1ccc(c(c1)N)N 271570a_100000694244_100000741789 [0,1,0,0,0,0|3,0,0]=4 410 B11R1.21 C=C(C)c1ccc(c(c1)N)O 271570a_100000694244_100000752626 [0,1,0,0,0,0|2,0,0]=3 411 B11R1.21 C=C(C)c1ccc(c(c1)O)Br 271570a_100000694244_100012356990 [0,1,0,0,0,0|3,0,0]=4 412 B11R1.21 C=C(C)c1ccc(c(c1)O)C 271570a_100000694244_100000766334 [0,1,0,0,0,0|3,0,0]=4 413 B11R1.21 C=C(C)c1ccc(c(c1)O)Cl 271570a_100000694244_100011356854 [0,1,0,0,0,0|3,0,0]=4 414 B11R1.21 C=C(C)c1ccc(c(c1)O)F 271570a_100000694244_100000686035 [0,1,0,0,0,0|3,0,0]=4 415 B11R1.21 C=C(C)c1ccc(c(c1)O)N 271570a_100000694244_100000739049 [0,1,0,0,0,0|3,0,0]=4 416 B11R1.21 C=C(C)c1ccc(c(c1)O)O 271570a_100000694244_100009813601 [0,1,0,0,0,0|2,0,0]=3 417 B11R1.21 C=C(C)c1ccc(c(n1)Br)O 271570a_100000694244_100000725334 [0,1,0,0,0,0|3,0,0]=4 418 B11R1.21 C=C(C)c1ccc(c(n1)C)O 271570a_100000694244_100010233687 [0,1,0,0,0,0|3,0,0]=4 419 B11R1.21 C=C(C)c1ccc(c(n1)Cl)O 271570a_100000694244_100000721234 [0,1,0,0,0,0|3,0,0]=4 420 B11R1.21 C=C(C)c1ccc(c(n1)F)O 271570a_100000694244_100009819667 [0,1,0,0,0,0|3,0,0]=4 421 B11R1.21 C=C(C)c1ccc(c(n1)N)O 271570a_100000694244_100000685527 [0,1,0,0,0,0|3,0,0]=4 422 B11R1.21 C=C(C)c1cnc(c(c1)C)O 271570a_100000694244_100000685391 [0,1,0,0,0,0|3,0,0]=4 423 B11R1.21 C=C(C)c1cnc(c(c1)Cl)O 271570a_100000694244_100010238531 [0,1,0,0,0,0|3,0,0]=4 424 B11R1.21 C=C(C)c1cnc(c(c1)N)O 271570a_100000694244_100000743729 [0,1,0,0,0,0|3,0,0]=4 425 B11R1.21 CC(=O)c1cc(c(cn1)O)C 271570a_203496583355_100011011822 [0,1,0,0,0,0|2,0,0]=3 426 B11R1.21 CC(=O)c1ccc(c(c1)Br)Br 1458a_100012339404_200000210301 [0,1,0,0,0,0|2,0,0]=3 427 B11R1.21 CC(=O)c1ccc(c(c1)Br)C 1458a_100000186397_200000210301 [0,1,0,0,0,0|2,0,0]=3 428 B11R1.21 CC(=O)c1ccc(c(c1)Br)Cl 1458a_100000691181_200000210301 [0,1,0,0,0,0|2,0,0]=3 429 B11R1.21 CC(=O)c1ccc(c(c1)Br)F 1458a_100000760357_200000210301 [0,1,0,0,0,0|2,0,0]=3 430 B11R1.21 CC(=O)c1ccc(c(c1)Br)I 1458a_100000739115_200000210301 [0,1,0,0,0,0|2,0,0]=3 431 B11R1.21 CC(=O)c1ccc(c(c1)Br)O 1458a_100000189672_200000210301 [0,1,0,0,0,0|1,0,0]=2 432 B11R1.21 CC(=O)c1ccc(c(c1)Br)O 271570a_203496583355_100010146554 [0,1,0,0,0,0|1,0,0]=2 433 B11R1.21 CC(=O)c1ccc(c(c1)C)Br 1458a_100000692631_200000210301 [0,1,0,0,0,0|2,0,0]=3 434 B11R1.21 CC(=O)c1ccc(c(c1)C)C 1458a_100000210898_200000210301 [0,1,0,0,0,0|2,0,0]=3 435 B11R1.21 CC(=O)c1ccc(c(c1)C)Cl 1458a_100000686306_200000210301 [0,1,0,0,0,0|2,0,0]=3 436 B11R1.21 CC(=O)c1ccc(c(c1)C)F 1458a_100000751819_200000210301 [0,1,0,0,0,0|2,0,0]=3 437 B11R1.21 CC(=O)c1ccc(c(c1)C)I 1458a_100000751300_200000210301 [0,1,0,0,0,0|2,0,0]=3 438 B11R1.21 CC(=O)c1ccc(c(c1)C)O 1458a_100000685612_200000210301 [0,1,0,0,0,0|1,0,0]=2 439 B11R1.21 CC(=O)c1ccc(c(c1)C)O 271570a_203496583355_100000697869 [0,1,0,0,0,0|1,0,0]=2 440 B11R1.21 CC(=O)c1ccc(c(c1)Cl)Br 1458a_100000687082_200000210301 [0,1,0,0,0,0|2,0,0]=3 441 B11R1.21 CC(=O)c1ccc(c(c1)Cl)C 1458a_100000751740_200000210301 [0,1,0,0,0,0|2,0,0]=3 442 B11R1.21 CC(=O)c1ccc(c(c1)Cl)Cl 1458a_100000210401_200000210301 [0,1,0,0,0,0|2,0,0]=3 443 B11R1.21 CC(=O)c1ccc(c(c1)Cl)F 1458a_100000686462_200000210301 [0,1,0,0,0,0|2,0,0]=3 444 B11R1.21 CC(=O)c1ccc(c(c1)Cl)I 1458a_100000684831_200000210301 [0,1,0,0,0,0|2,0,0]=3 445 B11R1.21 CC(=O)c1ccc(c(c1)Cl)O 1458a_100000212196_200000210301 [0,1,0,0,0,0|1,0,0]=2 446 B11R1.21 CC(=O)c1ccc(c(c1)F)Br 1458a_100000743946_200000210301 [0,1,0,0,0,0|2,0,0]=3 447 B11R1.21 CC(=O)c1ccc(c(c1)F)C 1458a_100000212313_200000210301 [0,1,0,0,0,0|2,0,0]=3 448 B11R1.21 CC(=O)c1ccc(c(c1)F)Cl 1458a_100000743183_200000210301 [0,1,0,0,0,0|2,0,0]=3 449 B11R1.21 CC(=O)c1ccc(c(c1)F)F 1458a_100000209822_200000210301 [0,1,0,0,0,0|2,0,0]=3 450 B11R1.21 CC(=O)c1ccc(c(c1)F)I 1458a_100000062624_200000210301 [0,1,0,0,0,0|2,0,0]=3 451 B11R1.21 CC(=O)c1ccc(c(c1)F)O 1458a_100000185466_200000210301 [0,1,0,0,0,0|1,0,0]=2 452 B11R1.21 CC(=O)c1ccc(c(c1)F)O 271570a_203496583355_100000690002 [0,1,0,0,0,0|1,0,0]=2 453 B11R1.21 CC(=O)c1ccc(c(c1)I)Br 1458a_100012343876_200000210301 [0,1,0,0,0,0|2,0,0]=3 454 B11R1.21 CC(=O)c1ccc(c(c1)I)C 1458a_100000751299_200000210301 [0,1,0,0,0,0|2,0,0]=3 455 B11R1.21 CC(=O)c1ccc(c(c1)I)Cl 1458a_100000739381_200000210301 [0,1,0,0,0,0|2,0,0]=3 456 B11R1.21 CC(=O)c1ccc(c(c1)I)F 1458a_100000688015_200000210301 [0,1,0,0,0,0|2,0,0]=3 457 B11R1.21 CC(=O)c1ccc(c(c1)I)I 1458a_100000725830_200000210301 [0,1,0,0,0,0|2,0,0]=3 458 B11R1.21 CC(=O)c1ccc(c(c1)I)O 1458a_100000037485_200000210301 [0,1,0,0,0,0|1,0,0]=2 459 B11R1.21 CC(=O)c1ccc(c(c1)N)O 271570a_203496583355_100009816534 [0,1,0,0,0,0|1,0,0]=2 460 B11R1.21 CC(=O)c1ccc(c(c1)O)Br 1458a_100000689001_200000210301 [0,1,0,0,0,0|2,0,0]=3 461 B11R1.21 CC(=O)c1ccc(c(c1)O)Br 271570a_203496583355_100010146556 [0,1,0,0,0,0|2,0,0]=3 462 B11R1.21 CC(=O)c1ccc(c(c1)O)C 1458a_100000233767_200000210301 [0,1,0,0,0,0|2,0,0]=3 463 B11R1.21 CC(=O)c1ccc(c(c1)O)C 271570a_203496583355_100011934287 [0,1,0,0,0,0|2,0,0]=3 464 B11R1.21 CC(=O)c1ccc(c(c1)O)Cl 1458a_100011933997_200000210301 [0,1,0,0,0,0|2,0,0]=3 465 B11R1.21 CC(=O)c1ccc(c(c1)O)F 1458a_100000035894_200000210301 [0,1,0,0,0,0|2,0,0]=3 466 B11R1.21 CC(=O)c1ccc(c(c1)O)F 271570a_203496583355_100000239719 [0,1,0,0,0,0|2,0,0]=3 467 B11R1.21 CC(=O)c1ccc(c(c1)O)I 1458a_100000239334_200000210301 [0,1,0,0,0,0|2,0,0]=3 468 B11R1.21 CC(=O)c1ccc(c(c1)O)N 271570a_203496583355_100012029215 [0,1,0,0,0,0|2,0,0]=3 469 B11R1.21 CC(=O)c1ccc(c(c1)O)O 1458a_100000212155_200000210301 [0,1,0,0,0,0|1,0,0]=2 470 B11R1.21 CC(=O)c1ccc(c(c1)O)O 271570a_203496583355_100011772453 [0,1,0,0,0,0|1,0,0]=2 471 B11R1.21 CC(=O)c1cnc(c(c1)C)O 271570a_203496583355_100009864263 [0,1,0,0,0,0|2,0,0]=3 472 B11R1.21 CC(=O)c1cnc(c(c1)O)F 271570a_203496583355_200010135287 [0,1,0,0,0,0|3,0,0]=4 473 B11R1.21 CC(C)c1ccc(c(c1)Br)O 271570a_203496583355_200010212211 [0,1,0,0,0,0|2,0,1]=4 474 B11R1.21 CC(O)c1ccc(c(c1)O)F 271570a_203496583355_100011191524 [0,1,0,0,0,0|2,0,1]=4 475 B11R1.21 C[C@H](N)c1ccc(c(c1)F)O 271570a_203496583355_100134618348 [0,1,0,0,0,0|2,0,1]=4 476 B11R1.21 Cc1cc(ccc1Br)C(=O)[13CH3] 1458a_100000692631_200025704644 [0,1,0,0,0,0|2,0,0]=3 477 B11R1.21 Cc1cc(ccc1Cl)C(=O)[13CH3] 1458a_100000686306_200025704644 [0,1,0,0,0,0|2,0,0]=3 478 B11R1.21 Cc1cc(ccc1F)C(=O)[13CH3] 1458a_100000751819_200025704644 [0,1,0,0,0,0|2,0,0]=3 479 B11R1.21 Cc1cc(ccc1I)C(=O)[13CH3] 1458a_100000751300_200025704644 [0,1,0,0,0,0|2,0,0]=3 480 B11R1.21 Cc1cc(ccc1O)B(O)O 271570a_203496583355_100010089846 [0,1,0,0,0,0|1,0,1]=3 481 B11R1.21 Cc1cc(ccc1O)C(=O)N 271570a_203496583355_100011218126 [0,1,0,0,0,0|1,0,0]=2 482 B11R1.21 Cc1cc(ccc1O)C(=O)[13CH3] 1458a_100000685612_200025704644 [0,1,0,0,0,0|1,0,0]=2 483 B11R1.21 Cc1cc(ccc1O)N(C)C 271570a_203496583355_100011934168 [0,1,0,0,0,0|3,0,0]=4 484 B11R1.21 Cc1cc(cnc1O)B(O)O 271570a_203496583355_100000061933 [0,1,0,0,0,0|2,0,1]=4 485 B11R1.21 Cc1ccc(cc1Br)C(=O)[13CH3] 1458a_100000186397_200025704644 [0,1,0,0,0,0|2,0,0]=3 486 B11R1.21 Cc1ccc(cc1C)C(=O)[13CH3] 1458a_100000210898_200025704644 [0,1,0,0,0,0|2,0,0]=3 487 B11R1.21 Cc1ccc(cc1Cl)C(=O)[13CH3] 1458a_100000751740_200025704644 [0,1,0,0,0,0|2,0,0]=3 488 B11R1.21 Cc1ccc(cc1F)C(=O)[13CH3] 1458a_100000212313_200025704644 [0,1,0,0,0,0|2,0,0]=3 489 B11R1.21 Cc1ccc(cc1I)C(=O)[13CH3] 1458a_100000751299_200025704644 [0,1,0,0,0,0|2,0,0]=3 490 B11R1.21 Cc1ccc(cc1O)B(O)O 271570a_203496583355_200010223333 [0,1,0,0,0,0|2,0,1]=4 491 B11R1.21 Cc1ccc(cc1O)C(=O)N 271570a_203496583355_100000186401 [0,1,0,0,0,0|2,0,0]=3 492 B11R1.21 Cc1ccc(cc1O)C(=O)[13CH3] 1458a_100000233767_200025704644 [0,1,0,0,0,0|2,0,0]=3 493 B11R1.21 NC(=O)c1ccc(c(c1)Br)O 271570a_203496583355_100009814583 [0,1,0,0,0,0|1,0,0]=2 494 B11R1.21 NC(=O)c1ccc(c(c1)F)O 271570a_203496583355_100000686215 [0,1,0,0,0,0|1,0,0]=2 495 B11R1.21 NC(=O)c1ccc(c(c1)O)F 271570a_203496583355_100011202321 [0,1,0,0,0,0|2,0,0]=3 496 B11R1.21 NC(=O)c1ccc(c(c1)O)O 271570a_203496583355_100012344895 [0,1,0,0,0,0|1,0,0]=2 497 B11R1.21 Nc1cc(cnc1O)B(O)O 271570a_203496583355_100009878943 [0,1,0,0,0,0|2,0,1]=4 498 B11R1.21 OB(O)c1ccc(c(c1)F)O 271570a_203496583355_100009813512 [0,1,0,0,0,0|1,0,1]=3 499 B11R1.21 OB(O)c1ccc(c(c1)O)F 271570a_203496583355_100010175509 [0,1,0,0,0,0|2,0,1]=4 500 B11R1.21 OB(O)c1cnc(c(c1)F)O 271570a_203496583355_100000117163 [0,1,0,0,0,0|2,0,1]=4 501 B11R1.21 Oc1ccc(cc1F)C(F)F 271570a_203496583355_100010189893 [0,1,0,0,0,0|2,0,1]=4 502 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Br)Br 1458a_100012339404_200025704644 [0,1,0,0,0,0|2,0,0]=3 503 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Br)Cl 1458a_100000691181_200025704644 [0,1,0,0,0,0|2,0,0]=3 504 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Br)F 1458a_100000760357_200025704644 [0,1,0,0,0,0|2,0,0]=3 505 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Br)I 1458a_100000739115_200025704644 [0,1,0,0,0,0|2,0,0]=3 506 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Br)O 1458a_100000189672_200025704644 [0,1,0,0,0,0|1,0,0]=2 507 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Cl)Br 1458a_100000687082_200025704644 [0,1,0,0,0,0|2,0,0]=3 508 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Cl)Cl 1458a_100000210401_200025704644 [0,1,0,0,0,0|2,0,0]=3 509 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Cl)F 1458a_100000686462_200025704644 [0,1,0,0,0,0|2,0,0]=3 510 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Cl)I 1458a_100000684831_200025704644 [0,1,0,0,0,0|2,0,0]=3 511 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Cl)O 1458a_100000212196_200025704644 [0,1,0,0,0,0|1,0,0]=2 512 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)F)Br 1458a_100000743946_200025704644 [0,1,0,0,0,0|2,0,0]=3 513 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)F)Cl 1458a_100000743183_200025704644 [0,1,0,0,0,0|2,0,0]=3 514 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)F)F 1458a_100000209822_200025704644 [0,1,0,0,0,0|2,0,0]=3 515 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)F)I 1458a_100000062624_200025704644 [0,1,0,0,0,0|2,0,0]=3 516 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)F)O 1458a_100000185466_200025704644 [0,1,0,0,0,0|1,0,0]=2 517 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)I)Br 1458a_100012343876_200025704644 [0,1,0,0,0,0|2,0,0]=3 518 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)I)Cl 1458a_100000739381_200025704644 [0,1,0,0,0,0|2,0,0]=3 519 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)I)F 1458a_100000688015_200025704644 [0,1,0,0,0,0|2,0,0]=3 520 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)I)I 1458a_100000725830_200025704644 [0,1,0,0,0,0|2,0,0]=3 521 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)I)O 1458a_100000037485_200025704644 [0,1,0,0,0,0|1,0,0]=2 522 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)O)Br 1458a_100000689001_200025704644 [0,1,0,0,0,0|2,0,0]=3 523 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)O)Cl 1458a_100011933997_200025704644 [0,1,0,0,0,0|2,0,0]=3 524 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)O)F 1458a_100000035894_200025704644 [0,1,0,0,0,0|2,0,0]=3 525 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)O)I 1458a_100000239334_200025704644 [0,1,0,0,0,0|2,0,0]=3 526 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)O)O 1458a_100000212155_200025704644 [0,1,0,0,0,0|1,0,0]=2 527 B11R1.22 CC(C#N)c1ccc(cc1)O 271570a_203496583355_100000695319 [0,1,0,0,0,0|2,0,1]=4 528 B11R1.22 CC(O[13CH3])c1ccc(cc1)Br 34a_100000745893_200025704644 [0,1,0,0,0,0|2,0,1]=4 529 B11R1.22 CC(O[13CH3])c1ccc(cc1)Br 7a_100000745893_200025704644 [0,1,0,0,0,0|2,0,1]=4 530 B11R1.22 CC(O[13CH3])c1ccc(cc1)F 34a_100000181323_200025704644 [0,1,0,0,0,0|2,0,1]=4 531 B11R1.22 CC(O[13CH3])c1ccc(cc1)F 7a_100000181323_200025704644 [0,1,0,0,0,0|2,0,1]=4 532 B11R1.22 CC(O[13CH3])c1ccc(cc1)N 34a_100011216399_200025704644 [0,1,0,0,0,0|2,0,1]=4 533 B11R1.22 CCC(=O)c1ccc(cc1)Br 1458a_100000185839_100000210202 [0,1,0,0,0,0|2,0,0]=3 534 B11R1.22 CCC(=O)c1ccc(cc1)C 1458a_100000188618_100000210202 [0,1,0,0,0,0|2,0,0]=3 535 B11R1.22 CCC(=O)c1ccc(cc1)Cl 1458a_100000210187_100000210202 [0,1,0,0,0,0|2,0,0]=3 536 B11R1.22 CCC(=O)c1ccc(cc1)F 1458a_100000187176_100000210202 [0,1,0,0,0,0|2,0,0]=3 537 B11R1.22 CCC(=O)c1ccc(cc1)I 1458a_100000187904_100000210202 [0,1,0,0,0,0|2,0,0]=3 538 B11R1.22 CCC(=O)c1ccc(cc1)O 1458a_100000212099_100000210202 [0,1,0,0,0,0|1,0,0]=2 539 B11R1.22 CCC(=O)c1ccc(cc1)O 271570a_203496583355_100000211647 [0,1,0,0,0,0|1,0,0]=2 540 B11R1.22 CCC(=O)c1ccc(cn1)O 271570a_203496583355_100012351654 [0,1,0,0,0,0|2,0,0]=3 541 B11R1.22 CCC(=O)c1ncc(cn1)O 271570a_203496583355_200010116844 [0,1,0,0,0,0|3,0,0]=4 542 B11R1.22 CCC(C)c1ccc(cc1)O 271570a_203496583355_100011221364 [0,1,0,0,0,0|2,0,1]=4 543 B11R1.22 CCC(O)c1ccc(cc1)O 271570a_203496583355_100000246506 [0,1,0,0,0,0|1,0,1]=3 544 B11R1.22 CCN(C)c1ccc(cc1)O 2230a_100011337800_200000210301 [0,1,0,0,0,0|3,0,0]=4 545 B11R1.22 CCN(C)c1ccc(cc1)O 269982a_100000182112_100000204670 [0,1,0,0,0,0|3,0,0]=4 546 B11R1.22 CCN(C)c1ccc(cc1)O 269982a_100011337800_200000210301 [0,1,0,0,0,0|3,0,0]=4 547 B11R1.22 CCN(C)c1ccc(cc1)O 34a_100000182112_100000210202 [0,1,0,0,0,0|3,0,0]=4 548 B11R1.22 CCN(C)c1ccc(cc1)O 34a_100011337800_200000210301 [0,1,0,0,0,0|3,0,0]=4 549 B11R1.22 CCN([13CH3])c1ccc(cc1)O 2230a_100011337800_200025704644 [0,1,0,0,0,0|3,0,0]=4 550 B11R1.22 CCN([13CH3])c1ccc(cc1)O 269982a_100011337800_200025704644 [0,1,0,0,0,0|3,0,0]=4 551 B11R1.22 CCN([13CH3])c1ccc(cc1)O 34a_100011337800_200025704644 [0,1,0,0,0,0|3,0,0]=4 552 B11R1.22 CC[C@H](N)c1ccc(cc1)O 271570a_203496583355_100025736560 [0,1,0,0,0,0|2,0,1]=4 553 B11R1.22 CN(CF)c1ccc(cc1)O 269982a_100000182112_100015361967 [0,1,0,0,0,0|3,0,0]=4 554 B11R1.22 CN(CF)c1ccc(cc1)O 34a_100000182112_100015361967 [0,1,0,0,0,0|3,0,0]=4 555 B11R1.22 CNC(=O)c1ccc(cc1)Br 11a_106832991635_100000185839 [0,1,0,0,0,0|2,0,0]=3 556 B11R1.22 CNC(=O)c1ccc(cc1)Br 1626a_100102657272_100000185839 [0,1,0,0,0,0|2,0,0]=3 557 B11R1.22 CNC(=O)c1ccc(cc1)Br 240690a_100102657272_100000185839 [0,1,0,0,0,0|2,0,0]=3 558 B11R1.22 CNC(=O)c1ccc(cc1)Br 527a_100102657272_100000185839 [0,1,0,0,0,0|2,0,0]=3 559 B11R1.22 CNC(=O)c1ccc(cc1)C 11a_106832991635_100000188618 [0,1,0,0,0,0|2,0,0]=3 560 B11R1.22 CNC(=O)c1ccc(cc1)C 1626a_100102657272_100000188618 [0,1,0,0,0,0|2,0,0]=3 561 B11R1.22 CNC(=O)c1ccc(cc1)C 240690a_100102657272_100000188618 [0,1,0,0,0,0|2,0,0]=3 562 B11R1.22 CNC(=O)c1ccc(cc1)C 527a_100102657272_100000188618 [0,1,0,0,0,0|2,0,0]=3 563 B11R1.22 CNC(=O)c1ccc(cc1)Cl 11a_106832991635_100000210187 [0,1,0,0,0,0|2,0,0]=3 564 B11R1.22 CNC(=O)c1ccc(cc1)Cl 1626a_100102657272_100000210187 [0,1,0,0,0,0|2,0,0]=3 565 B11R1.22 CNC(=O)c1ccc(cc1)Cl 240690a_100102657272_100000210187 [0,1,0,0,0,0|2,0,0]=3 566 B11R1.22 CNC(=O)c1ccc(cc1)Cl 527a_100102657272_100000210187 [0,1,0,0,0,0|2,0,0]=3 567 B11R1.22 CNC(=O)c1ccc(cc1)F 11a_106832991635_100000187176 [0,1,0,0,0,0|2,0,0]=3 568 B11R1.22 CNC(=O)c1ccc(cc1)F 1626a_100102657272_100000187176 [0,1,0,0,0,0|2,0,0]=3 569 B11R1.22 CNC(=O)c1ccc(cc1)F 240690a_100102657272_100000187176 [0,1,0,0,0,0|2,0,0]=3 570 B11R1.22 CNC(=O)c1ccc(cc1)F 527a_100102657272_100000187176 [0,1,0,0,0,0|2,0,0]=3 571 B11R1.22 CNC(=O)c1ccc(cc1)I 11a_106832991635_100000187904 [0,1,0,0,0,0|2,0,0]=3 572 B11R1.22 CNC(=O)c1ccc(cc1)I 1626a_100102657272_100000187904 [0,1,0,0,0,0|2,0,0]=3 573 B11R1.22 CNC(=O)c1ccc(cc1)I 240690a_100102657272_100000187904 [0,1,0,0,0,0|2,0,0]=3 574 B11R1.22 CNC(=O)c1ccc(cc1)I 527a_100102657272_100000187904 [0,1,0,0,0,0|2,0,0]=3 575 B11R1.22 CNC(=O)c1ccc(cc1)O 240690a_100102657272_100000212099 [0,1,0,0,0,0|1,0,0]=2 576 B11R1.22 CNC(=O)c1ccc(cc1)O 271570a_203496583355_100000155074 [0,1,0,0,0,0|1,0,0]=2 577 B11R1.22 CNC(=O)c1ccc(cc1)O 527a_100102657272_100000212099 [0,1,0,0,0,0|1,0,0]=2 578 B11R1.22 CNC(=O)c1ccc(cn1)O 271570a_203496583355_100011781262 [0,1,0,0,0,0|2,0,0]=3 579 B11R1.22 CNC(=O)c1ccc(nc1)O 271570a_203496583355_100000159860 [0,1,0,0,0,0|2,0,0]=3 580 B11R1.22 CNC(=O)c1ncc(cn1)O 271570a_203496583355_200010127873 [0,1,0,0,0,0|3,0,0]=4 581 B11R1.22 CNC(C)c1ccc(cc1)O 271570a_203496583355_100000231103 [0,1,0,0,0,0|2,0,1]=4 582 B11R1.22 CN[C@@H](C)c1ccc(cc1)O 2230a_100161106496_200000210301 [0,1,0,0,0,0|2,0,1]=4 583 B11R1.22 COC(=O)c1ccc(cc1)O 271570a_203496583355_100000150774 [0,1,0,0,0,0|0,0,0]=1 584 B11R1.22 COC(=O)c1ccc(cn1)O 271570a_203496583355_100000690920 [0,1,0,0,0,0|1,0,0]=2 585 B11R1.22 COC(=O)c1ccc(nc1)O 271570a_203496583355_100000733799 [0,1,0,0,0,0|1,0,0]=2 586 B11R1.22 COC(=O)c1ccc(nn1)O 271570a_203496583355_100009816182 [0,1,0,0,0,0|2,0,0]=3 587 B11R1.22 COC(=O)c1cnc(cn1)O 271570a_203496583355_100010219404 [0,1,0,0,0,0|2,0,0]=3 588 B11R1.22 COC(=O)c1cnc(nc1)O 271570a_203496583355_100000729365 [0,1,0,0,0,0|2,0,0]=3 589 B11R1.22 COC(=O)c1ncc(cn1)O 271570a_203496583355_100000690087 [0,1,0,0,0,0|2,0,0]=3 590 B11R1.22 COC(C)c1ccc(cc1)Br 34a_100000745893_200000210301 [0,1,0,0,0,0|2,0,1]=4 591 B11R1.22 COC(C)c1ccc(cc1)Br 34a_100138415774_100000755118 [0,1,0,0,0,0|2,0,1]=4 592 B11R1.22 COC(C)c1ccc(cc1)Br 7a_100000745893_200000210301 [0,1,0,0,0,0|2,0,1]=4 593 B11R1.22 COC(C)c1ccc(cc1)C 34a_100138415774_100011261388 [0,1,0,0,0,0|2,0,1]=4 594 B11R1.22 COC(C)c1ccc(cc1)F 34a_100000181323_200000210301 [0,1,0,0,0,0|2,0,1]=4 595 B11R1.22 COC(C)c1ccc(cc1)F 34a_100138415774_100000743420 [0,1,0,0,0,0|2,0,1]=4 596 B11R1.22 COC(C)c1ccc(cc1)F 7a_100000181323_200000210301 [0,1,0,0,0,0|2,0,1]=4 597 B11R1.22 COC(C)c1ccc(cc1)N 34a_100011216399_200000210301 [0,1,0,0,0,0|2,0,1]=4 598 B11R1.22 COC(C)c1ccc(cc1)O 271570a_203496583355_100010254937 [0,1,0,0,0,0|1,0,1]=3 599 B11R1.22 CO[C@@H](C)c1ccc(cc1)Cl 34a_100011852131_200000210301 [0,1,0,0,0,0|2,0,1]=4 600 B11R1.22 CO[C@@H](C)c1ccc(cc1)Cl 7a_100011852131_200000210301 [0,1,0,0,0,0|2,0,1]=4 601 B11R1.22 CO[C@H](C)c1ccc(cc1)C 34a_100000690690_200000210301 [0,1,0,0,0,0|2,0,1]=4 602 B11R1.22 CO[C@H](C)c1ccc(cc1)C 7a_100000690690_200000210301 [0,1,0,0,0,0|2,0,1]=4 603 B11R1.22 C[C@H](N[13CH3])c1ccc(cc1)O 2230a_100161106496_200025704644 [0,1,0,0,0,0|2,0,1]=4 604 B11R1.22 C[C@H](O[13CH3])c1ccc(cc1)Cl 34a_100011852131_200025704644 [0,1,0,0,0,0|2,0,1]=4 605 B11R1.22 C[C@H](O[13CH3])c1ccc(cc1)Cl 7a_100011852131_200025704644 [0,1,0,0,0,0|2,0,1]=4 606 B11R1.22 Cc1ccc(cc1)C(=O)CF 1458a_100000188618_100015361967 [0,1,0,0,0,0|2,0,0]=3 607 B11R1.22 Cc1ccc(cc1)[C@@H](C)O[13CH3] 34a_100000690690_200025704644 [0,1,0,0,0,0|2,0,1]=4 608 B11R1.22 Cc1ccc(cc1)[C@@H](C)O[13CH3] 7a_100000690690_200025704644 [0,1,0,0,0,0|2,0,1]=4 609 B11R1.22 N#CC(=O)c1ccc(cc1)O 271570a_203496583355_100009994572 [0,1,0,0,0,0|1,0,0]=2 610 B11R1.22 N#CC(N)c1ccc(cc1)O 271570a_203496583355_106722365845 [0,1,0,0,0,0|2,0,1]=4 611 B11R1.22 NC(CO)c1ccc(cc1)O 271570a_203496583355_100000734186 [0,1,0,0,0,0|1,0,1]=3 612 B11R1.22 NCC(=O)c1ccc(cc1)O 271570a_203496583355_100000017248 [0,1,0,0,0,0|1,0,0]=2 613 B11R1.22 NCC(O)c1ccc(cc1)O 271570a_203496583355_100020626992 [0,1,0,0,0,0|1,0,1]=3 614 B11R1.22 NNC(=O)c1ccc(cc1)O 271570a_203496583355_100000183614 [0,1,0,0,0,0|1,0,0]=2 615 B11R1.22 NNC(=O)c1ccc(cn1)O 271570a_203496583355_100011781063 [0,1,0,0,0,0|2,0,0]=3 616 B11R1.22 NNC(=O)c1ccc(nc1)O 271570a_203496583355_100000189807 [0,1,0,0,0,0|2,0,0]=3 617 B11R1.22 NNC(=O)c1cnc(cn1)O 271570a_203496583355_200012021860 [0,1,0,0,0,0|3,0,0]=4 618 B11R1.22 NNC(=O)c1ncc(cn1)O 271570a_203496583355_100009996755 [0,1,0,0,0,0|3,0,0]=4 619 B11R1.22 O=C(CF)c1ccc(cc1)Br 1458a_100000185839_100015361967 [0,1,0,0,0,0|2,0,0]=3 620 B11R1.22 O=C(CF)c1ccc(cc1)Cl 1458a_100000210187_100015361967 [0,1,0,0,0,0|2,0,0]=3 621 B11R1.22 O=C(CF)c1ccc(cc1)F 1458a_100000187176_100015361967 [0,1,0,0,0,0|2,0,0]=3 622 B11R1.22 O=C(CF)c1ccc(cc1)I 1458a_100000187904_100015361967 [0,1,0,0,0,0|2,0,0]=3 623 B11R1.22 O=C(CF)c1ccc(cc1)O 1458a_100000212099_100015361967 [0,1,0,0,0,0|1,0,0]=2 624 B11R1.22 O=C(CO)c1ccc(cc1)O 271570a_203496583355_100011219529 [0,1,0,0,0,0|0,0,0]=1 625 B11R1.22 O=CC(=O)c1ccc(cc1)O 271570a_203496583355_100000725942 [0,1,0,0,0,0|0,0,1]=2 626 B11R1.22 OCC(O)c1ccc(cc1)O 271570a_203496583355_200012355997 [0,1,0,0,0,0|0,0,2]=3 627 B11R1.22 [2H]C(OC)c1ccc(cc1)F 34a_217856618577_200000210301 [0,1,0,0,0,0|2,0,1]=4 628 B11R1.22 [2H]C(OC)c1ccc(cc1)F 7a_217856618577_200000210301 [0,1,0,0,0,0|2,0,1]=4 629 B11R1.22 [2H]C(O[13CH3])c1ccc(cc1)F 34a_217856618577_200025704644 [0,1,0,0,0,0|2,0,1]=4 630 B11R1.22 [2H]C(O[13CH3])c1ccc(cc1)F 7a_217856618577_200025704644 [0,1,0,0,0,0|2,0,1]=4 631 B11R1.166 C=C(C)c1ccc(cc1Br)Br 271570a_100000694244_100011484698 [0,1,0,0,0,0|3,0,0]=4 632 B11R1.166 C=C(C)c1ccc(cc1Br)C 271570a_100000694244_100009813563 [0,1,0,0,0,0|3,0,0]=4 633 B11R1.166 C=C(C)c1ccc(cc1Br)Cl 271570a_100000694244_100011219703 [0,1,0,0,0,0|3,0,0]=4 634 B11R1.166 C=C(C)c1ccc(cc1Br)F 271570a_100000694244_100011217111 [0,1,0,0,0,0|3,0,0]=4 635 B11R1.166 C=C(C)c1ccc(cc1Br)N 271570a_100000694244_100000750458 [0,1,0,0,0,0|3,0,0]=4 636 B11R1.166 C=C(C)c1ccc(cc1Br)O 271570a_100000694244_100000701344 [0,1,0,0,0,0|2,0,0]=3 637 B11R1.166 C=C(C)c1ccc(cc1C)Br 271570a_100000694244_100000701812 [0,1,0,0,0,0|3,0,0]=4 638 B11R1.166 C=C(C)c1ccc(cc1C)C 271570a_100000694244_100011217332 [0,1,0,0,0,0|3,0,0]=4 639 B11R1.166 C=C(C)c1ccc(cc1C)Cl 271570a_100000694244_100011219607 [0,1,0,0,0,0|3,0,0]=4 640 B11R1.166 C=C(C)c1ccc(cc1C)F 271570a_100000694244_100011205405 [0,1,0,0,0,0|3,0,0]=4 641 B11R1.166 C=C(C)c1ccc(cc1C)N 271570a_100000694244_100000210723 [0,1,0,0,0,0|3,0,0]=4 642 B11R1.166 C=C(C)c1ccc(cc1C)O 271570a_100000694244_100000729255 [0,1,0,0,0,0|2,0,0]=3 643 B11R1.166 C=C(C)c1ccc(cc1Cl)Br 271570a_100000694244_100011216062 [0,1,0,0,0,0|3,0,0]=4 644 B11R1.166 C=C(C)c1ccc(cc1Cl)C 271570a_100000694244_100011263221 [0,1,0,0,0,0|3,0,0]=4 645 B11R1.166 C=C(C)c1ccc(cc1Cl)Cl 271570a_100000694244_100000699841 [0,1,0,0,0,0|3,0,0]=4 646 B11R1.166 C=C(C)c1ccc(cc1Cl)F 271570a_100000694244_100000733362 [0,1,0,0,0,0|3,0,0]=4 647 B11R1.166 C=C(C)c1ccc(cc1Cl)N 271570a_100000694244_100000761885 [0,1,0,0,0,0|3,0,0]=4 648 B11R1.166 C=C(C)c1ccc(cc1Cl)O 271570a_100000694244_100000047559 [0,1,0,0,0,0|2,0,0]=3 649 B11R1.166 C=C(C)c1ccc(cc1F)Br 271570a_100000694244_100009814013 [0,1,0,0,0,0|3,0,0]=4 650 B11R1.166 C=C(C)c1ccc(cc1F)C 271570a_100000694244_100011216119 [0,1,0,0,0,0|3,0,0]=4 651 B11R1.166 C=C(C)c1ccc(cc1F)Cl 271570a_100000694244_100011216042 [0,1,0,0,0,0|3,0,0]=4 652 B11R1.166 C=C(C)c1ccc(cc1F)F 271570a_100000694244_100000750030 [0,1,0,0,0,0|3,0,0]=4 653 B11R1.166 C=C(C)c1ccc(cc1F)N 271570a_100000694244_100011356925 [0,1,0,0,0,0|3,0,0]=4 654 B11R1.166 C=C(C)c1ccc(cc1F)O 271570a_100000694244_100000755031 [0,1,0,0,0,0|2,0,0]=3 655 B11R1.166 C=C(C)c1ccc(cc1N)Br 271570a_100000694244_100000743836 [0,1,0,0,0,0|3,0,0]=4 656 B11R1.166 C=C(C)c1ccc(cc1N)C 271570a_100000694244_100011216686 [0,1,0,0,0,0|3,0,0]=4 657 B11R1.166 C=C(C)c1ccc(cc1N)Cl 271570a_100000694244_100000761886 [0,1,0,0,0,0|3,0,0]=4 658 B11R1.166 C=C(C)c1ccc(cc1N)F 271570a_100000694244_100011218093 [0,1,0,0,0,0|3,0,0]=4 659 B11R1.166 C=C(C)c1ccc(cc1N)N 271570a_100000694244_200012175722 [0,1,0,0,0,0|3,0,0]=4 660 B11R1.166 C=C(C)c1ccc(cc1N)O 271570a_100000694244_100011999798 [0,1,0,0,0,0|2,0,0]=3 661 B11R1.166 C=C(C)c1ccc(cc1O)Br 271570a_100000694244_100012344904 [0,1,0,0,0,0|3,0,0]=4 662 B11R1.166 C=C(C)c1ccc(cc1O)C 271570a_100000694244_100012002257 [0,1,0,0,0,0|3,0,0]=4 663 B11R1.166 C=C(C)c1ccc(cc1O)Cl 271570a_100000694244_100000050036 [0,1,0,0,0,0|3,0,0]=4 664 B11R1.166 C=C(C)c1ccc(cc1O)F 271570a_100000694244_100000690578 [0,1,0,0,0,0|3,0,0]=4 665 B11R1.166 C=C(C)c1ccc(cc1O)O 271570a_100000694244_100009813921 [0,1,0,0,0,0|2,0,0]=3 666 B11R1.166 C=C(C)c1ccc(nc1C)O 271570a_100000694244_100000691680 [0,1,0,0,0,0|3,0,0]=4 667 B11R1.166 C=C(C)c1ccc(nc1F)O 271570a_100000694244_100009879308 [0,1,0,0,0,0|3,0,0]=4 668 B11R1.166 C=C(C)c1cnc(cc1C)O 271570a_100000694244_100010114363 [0,1,0,0,0,0|3,0,0]=4 669 B11R1.166 C=C(C)c1ncc(cc1C)O 271570a_100000694244_100012000486 [0,1,0,0,0,0|3,0,0]=4 670 B11R1.166 C=C(C)c1ncc(cc1F)O 271570a_100000694244_100000063512 [0,1,0,0,0,0|3,0,0]=4 671 B11R1.166 CC(=O)c1ccc(cc1Br)Br 1458a_100000762965_200000210301 [0,1,0,0,0,0|2,0,0]=3 672 B11R1.166 CC(=O)c1ccc(cc1Br)C 1458a_100000685072_200000210301 [0,1,0,0,0,0|2,0,0]=3 673 B11R1.166 CC(=O)c1ccc(cc1Br)Cl 1458a_100000766353_200000210301 [0,1,0,0,0,0|2,0,0]=3 674 B11R1.166 CC(=O)c1ccc(cc1Br)F 1458a_100000212304_200000210301 [0,1,0,0,0,0|2,0,0]=3 675 B11R1.166 CC(=O)c1ccc(cc1Br)I 1458a_100012360512_200000210301 [0,1,0,0,0,0|2,0,0]=3 676 B11R1.166 CC(=O)c1ccc(cc1Br)O 1458a_100012344906_200000210301 [0,1,0,0,0,0|1,0,0]=2 677 B11R1.166 CC(=O)c1ccc(cc1C)Br 1458a_100000741311_200000210301 [0,1,0,0,0,0|2,0,0]=3 678 B11R1.166 CC(=O)c1ccc(cc1C)C 1458a_100000211164_200000210301 [0,1,0,0,0,0|2,0,0]=3 679 B11R1.166 CC(=O)c1ccc(cc1C)Cl 1458a_100000688705_200000210301 [0,1,0,0,0,0|2,0,0]=3 680 B11R1.166 CC(=O)c1ccc(cc1C)F 1458a_100000686989_200000210301 [0,1,0,0,0,0|2,0,0]=3 681 B11R1.166 CC(=O)c1ccc(cc1C)I 1458a_100010189873_200000210301 [0,1,0,0,0,0|2,0,0]=3 682 B11R1.166 CC(=O)c1ccc(cc1C)O 1458a_100000692822_200000210301 [0,1,0,0,0,0|1,0,0]=2 683 B11R1.166 CC(=O)c1ccc(cc1C)O 271570a_203496583355_100012360112 [0,1,0,0,0,0|1,0,0]=2 684 B11R1.166 CC(=O)c1ccc(cc1Cl)Br 1458a_100000741628_200000210301 [0,1,0,0,0,0|2,0,0]=3 685 B11R1.166 CC(=O)c1ccc(cc1Cl)C 1458a_100000766932_200000210301 [0,1,0,0,0,0|2,0,0]=3 686 B11R1.166 CC(=O)c1ccc(cc1Cl)Cl 1458a_100000185840_200000210301 [0,1,0,0,0,0|2,0,0]=3 687 B11R1.166 CC(=O)c1ccc(cc1Cl)F 1458a_100000211397_200000210301 [0,1,0,0,0,0|2,0,0]=3 688 B11R1.166 CC(=O)c1ccc(cc1Cl)I 1458a_100000751301_200000210301 [0,1,0,0,0,0|2,0,0]=3 689 B11R1.166 CC(=O)c1ccc(cc1Cl)O 1458a_100000702456_200000210301 [0,1,0,0,0,0|1,0,0]=2 690 B11R1.166 CC(=O)c1ccc(cc1F)Br 1458a_100000214689_200000210301 [0,1,0,0,0,0|2,0,0]=3 691 B11R1.166 CC(=O)c1ccc(cc1F)C 1458a_100000766033_200000210301 [0,1,0,0,0,0|2,0,0]=3 692 B11R1.166 CC(=O)c1ccc(cc1F)Cl 1458a_100000212326_200000210301 [0,1,0,0,0,0|2,0,0]=3 693 B11R1.166 CC(=O)c1ccc(cc1F)F 1458a_100000211022_200000210301 [0,1,0,0,0,0|2,0,0]=3 694 B11R1.166 CC(=O)c1ccc(cc1F)I 1458a_100000037189_200000210301 [0,1,0,0,0,0|2,0,0]=3 695 B11R1.166 CC(=O)c1ccc(cc1F)O 1458a_100000689029_200000210301 [0,1,0,0,0,0|1,0,0]=2 696 B11R1.166 CC(=O)c1ccc(cc1F)O 271570a_203496583355_100000690205 [0,1,0,0,0,0|1,0,0]=2 697 B11R1.166 CC(=O)c1ccc(cc1I)Br 1458a_100000751167_200000210301 [0,1,0,0,0,0|2,0,0]=3 698 B11R1.166 CC(=O)c1ccc(cc1I)C 1458a_100009999607_200000210301 [0,1,0,0,0,0|2,0,0]=3 699 B11R1.166 CC(=O)c1ccc(cc1I)Cl 1458a_100000739380_200000210301 [0,1,0,0,0,0|2,0,0]=3 700 B11R1.166 CC(=O)c1ccc(cc1I)F 1458a_100000739341_200000210301 [0,1,0,0,0,0|2,0,0]=3 701 B11R1.166 CC(=O)c1ccc(cc1N)O 271570a_203496583355_100011590516 [0,1,0,0,0,0|1,0,0]=2 702 B11R1.166 CC(=O)c1ccc(cc1O)Br 1458a_100000744433_200000210301 [0,1,0,0,0,0|2,0,0]=3 703 B11R1.166 CC(=O)c1ccc(cc1O)C 1458a_100000212137_200000210301 [0,1,0,0,0,0|2,0,0]=3 704 B11R1.166 CC(=O)c1ccc(cc1O)C 271570a_203496583355_100012353930 [0,1,0,0,0,0|2,0,0]=3 705 B11R1.166 CC(=O)c1ccc(cc1O)Cl 1458a_100000188622_200000210301 [0,1,0,0,0,0|2,0,0]=3 706 B11R1.166 CC(=O)c1ccc(cc1O)F 1458a_100000746061_200000210301 [0,1,0,0,0,0|2,0,0]=3 707 B11R1.166 CC(=O)c1ccc(cc1O)F 271570a_203496583355_100000686192 [0,1,0,0,0,0|2,0,0]=3 708 B11R1.166 CC(=O)c1ccc(cc1O)I 1458a_100000091984_200000210301 [0,1,0,0,0,0|2,0,0]=3 709 B11R1.166 CC(=O)c1ccc(cc1O)O 1458a_100000212172_200000210301 [0,1,0,0,0,0|1,0,0]=2 710 B11R1.166 CC(=O)c1ccc(cc1O)O 271570a_203496583355_100000188348 [0,1,0,0,0,0|1,0,0]=2 711 B11R1.166 CC(=O)c1ccc(cc1O)O 271570a_203496583355_100012340537 [0,1,0,0,0,0|1,0,0]=2 712 B11R1.166 CC(=O)c1ncc(cc1F)O 271570a_203496583355_100000696590 [0,1,0,0,0,0|2,0,0]=3 713 B11R1.166 CC(N)c1ccc(cc1F)O 271570a_203496583355_100000730447 [0,1,0,0,0,0|2,0,1]=4 714 B11R1.166 CN(C)c1ccc(cc1N)O 271570a_203496583355_100000737018 [0,1,0,0,0,0|3,0,0]=4 715 B11R1.166 Cc1cc(ccc1B(O)O)O 271570a_203496583355_100010074995 [0,1,0,0,0,0|1,0,1]=3 716 B11R1.166 Cc1cc(ccc1C(=O)N)O 271570a_203496583355_100011327924 [0,1,0,0,0,0|1,0,0]=2 717 B11R1.166 Cc1cc(ccc1C(=O)[13CH3])Br 1458a_100000741311_200025704644 [0,1,0,0,0,0|2,0,0]=3 718 B11R1.166 Cc1cc(ccc1C(=O)[13CH3])Cl 1458a_100000688705_200025704644 [0,1,0,0,0,0|2,0,0]=3 719 B11R1.166 Cc1cc(ccc1C(=O)[13CH3])F 1458a_100000686989_200025704644 [0,1,0,0,0,0|2,0,0]=3 720 B11R1.166 Cc1cc(ccc1C(=O)[13CH3])I 1458a_100010189873_200025704644 [0,1,0,0,0,0|2,0,0]=3 721 B11R1.166 Cc1cc(ccc1C(=O)[13CH3])O 1458a_100000692822_200025704644 [0,1,0,0,0,0|1,0,0]=2 722 B11R1.166 Cc1cc(ccc1N(C)C)O 269982a_100161107805_200000210301 [0,1,0,0,0,0|3,0,0]=4 723 B11R1.166 Cc1cc(ccc1N(C)C)O 34a_100161107805_200000210301 [0,1,0,0,0,0|3,0,0]=4 724 B11R1.166 Cc1cc(ccc1N(C)[13CH3])O 269982a_100161107805_200025704644 [0,1,0,0,0,0|3,0,0]=4 725 B11R1.166 Cc1cc(ccc1N(C)[13CH3])O 34a_100161107805_200025704644 [0,1,0,0,0,0|3,0,0]=4 726 B11R1.166 Cc1cc(ncc1C(=O)N)O 271570a_203496583355_200134614278 [0,1,0,0,0,0|2,0,0]=3 727 B11R1.166 Cc1ccc(c(c1)Br)C(=O)[13CH3] 1458a_100000685072_200025704644 [0,1,0,0,0,0|2,0,0]=3 728 B11R1.166 Cc1ccc(c(c1)C)C(=O)[13CH3] 1458a_100000211164_200025704644 [0,1,0,0,0,0|2,0,0]=3 729 B11R1.166 Cc1ccc(c(c1)Cl)C(=O)[13CH3] 1458a_100000766932_200025704644 [0,1,0,0,0,0|2,0,0]=3 730 B11R1.166 Cc1ccc(c(c1)F)C(=O)[13CH3] 1458a_100000766033_200025704644 [0,1,0,0,0,0|2,0,0]=3 731 B11R1.166 Cc1ccc(c(c1)I)C(=O)[13CH3] 1458a_100009999607_200025704644 [0,1,0,0,0,0|2,0,0]=3 732 B11R1.166 Cc1ccc(c(c1)O)B(O)O 271570a_203496583355_200011068827 [0,1,0,0,0,0|2,0,1]=4 733 B11R1.166 Cc1ccc(c(c1)O)C(=O)[13CH3] 1458a_100000212137_200025704644 [0,1,0,0,0,0|2,0,0]=3 734 B11R1.166 Cc1ccc(c(n1)O)C(=O)N 271570a_203496583355_100000041523 [0,1,0,0,0,0|3,0,0]=4 735 B11R1.166 Cc1nc(ccc1B(O)O)O 271570a_203496583355_100000049460 [0,1,0,0,0,0|2,0,1]=4 736 B11R1.166 NC(=O)c1ccc(cc1Br)O 271570a_203496583355_200010146565 [0,1,0,0,0,0|1,0,0]=2 737 B11R1.166 NC(=O)c1ccc(cc1F)O 271570a_203496583355_100000216903 [0,1,0,0,0,0|1,0,0]=2 738 B11R1.166 NC(=O)c1ccc(cc1N)O 271570a_203496583355_100012349972 [0,1,0,0,0,0|1,0,0]=2 739 B11R1.166 NC(=O)c1ccc(cc1O)Br 271570a_203496583355_100009815748 [0,1,0,0,0,0|2,0,0]=3 740 B11R1.166 NC(=O)c1ccc(cc1O)F 271570a_203496583355_100000206404 [0,1,0,0,0,0|2,0,0]=3 741 B11R1.166 NC(=O)c1ccc(cc1O)O 271570a_203496583355_100011550861 [0,1,0,0,0,0|1,0,0]=2 742 B11R1.166 NC(=O)c1ccc(nc1N)O 271570a_203496583355_100009875182 [0,1,0,0,0,0|2,0,0]=3 743 B11R1.166 NC(=O)c1ncc(cc1F)O 271570a_203496583355_200010161073 [0,1,0,0,0,0|2,0,0]=3 744 B11R1.166 NC(=O)c1ncc(cc1N)O 271570a_203496583355_100010235749 [0,1,0,0,0,0|2,0,0]=3 745 B11R1.166 OB(O)c1ccc(cc1F)O 271570a_203496583355_100009813958 [0,1,0,0,0,0|1,0,1]=3 746 B11R1.166 OB(O)c1ccc(cc1O)F 271570a_203496583355_100010175514 [0,1,0,0,0,0|2,0,1]=4 747 B11R1.166 OB(O)c1ccc(cc1O)O 271570a_203496583355_100010158982 [0,1,0,0,0,0|1,0,1]=3 748 B11R1.166 OB(O)c1ccc(nc1F)O 271570a_203496583355_200010233872 [0,1,0,0,0,0|2,0,1]=4 749 B11R1.166 Oc1ccc(c(c1)F)C(F)F 271570a_203496583355_100010169825 [0,1,0,0,0,0|2,0,1]=4 750 B11R1.166 [13CH3]C(=O)c1ccc(cc1Br)Br 1458a_100000762965_200025704644 [0,1,0,0,0,0|2,0,0]=3 751 B11R1.166 [13CH3]C(=O)c1ccc(cc1Br)Cl 1458a_100000766353_200025704644 [0,1,0,0,0,0|2,0,0]=3 752 B11R1.166 [13CH3]C(=O)c1ccc(cc1Br)F 1458a_100000212304_200025704644 [0,1,0,0,0,0|2,0,0]=3 753 B11R1.166 [13CH3]C(=O)c1ccc(cc1Br)I 1458a_100012360512_200025704644 [0,1,0,0,0,0|2,0,0]=3 754 B11R1.166 [13CH3]C(=O)c1ccc(cc1Br)O 1458a_100012344906_200025704644 [0,1,0,0,0,0|1,0,0]=2 755 B11R1.166 [13CH3]C(=O)c1ccc(cc1Cl)Br 1458a_100000741628_200025704644 [0,1,0,0,0,0|2,0,0]=3 756 B11R1.166 [13CH3]C(=O)c1ccc(cc1Cl)Cl 1458a_100000185840_200025704644 [0,1,0,0,0,0|2,0,0]=3 757 B11R1.166 [13CH3]C(=O)c1ccc(cc1Cl)F 1458a_100000211397_200025704644 [0,1,0,0,0,0|2,0,0]=3 758 B11R1.166 [13CH3]C(=O)c1ccc(cc1Cl)I 1458a_100000751301_200025704644 [0,1,0,0,0,0|2,0,0]=3 759 B11R1.166 [13CH3]C(=O)c1ccc(cc1Cl)O 1458a_100000702456_200025704644 [0,1,0,0,0,0|1,0,0]=2 760 B11R1.166 [13CH3]C(=O)c1ccc(cc1F)Br 1458a_100000214689_200025704644 [0,1,0,0,0,0|2,0,0]=3 761 B11R1.166 [13CH3]C(=O)c1ccc(cc1F)Cl 1458a_100000212326_200025704644 [0,1,0,0,0,0|2,0,0]=3 762 B11R1.166 [13CH3]C(=O)c1ccc(cc1F)F 1458a_100000211022_200025704644 [0,1,0,0,0,0|2,0,0]=3 763 B11R1.166 [13CH3]C(=O)c1ccc(cc1F)I 1458a_100000037189_200025704644 [0,1,0,0,0,0|2,0,0]=3 764 B11R1.166 [13CH3]C(=O)c1ccc(cc1F)O 1458a_100000689029_200025704644 [0,1,0,0,0,0|1,0,0]=2 765 B11R1.166 [13CH3]C(=O)c1ccc(cc1I)Br 1458a_100000751167_200025704644 [0,1,0,0,0,0|2,0,0]=3 766 B11R1.166 [13CH3]C(=O)c1ccc(cc1I)Cl 1458a_100000739380_200025704644 [0,1,0,0,0,0|2,0,0]=3 767 B11R1.166 [13CH3]C(=O)c1ccc(cc1I)F 1458a_100000739341_200025704644 [0,1,0,0,0,0|2,0,0]=3 768 B11R1.166 [13CH3]C(=O)c1ccc(cc1O)Br 1458a_100000744433_200025704644 [0,1,0,0,0,0|2,0,0]=3 769 B11R1.166 [13CH3]C(=O)c1ccc(cc1O)Cl 1458a_100000188622_200025704644 [0,1,0,0,0,0|2,0,0]=3 770 B11R1.166 [13CH3]C(=O)c1ccc(cc1O)F 1458a_100000746061_200025704644 [0,1,0,0,0,0|2,0,0]=3 771 B11R1.166 [13CH3]C(=O)c1ccc(cc1O)I 1458a_100000091984_200025704644 [0,1,0,0,0,0|2,0,0]=3 772 B11R1.166 [13CH3]C(=O)c1ccc(cc1O)O 1458a_100000212172_200025704644 [0,1,0,0,0,0|1,0,0]=2 773 B11R2.34 Oc1ccc(cc1)C2CC2 271570a_100011220607_100000185759 [0,0,0,1,0,0|2,0,1]=4 774 B11R2.34 Oc1ccc(cc1)C2CC2 271570a_203496583355_100009820665 [0,0,0,1,0,0|2,0,1]=4 775 B9R1.35 CC(=O)c1cc(cs1)O 271570a_203496583355_100000718618 [0,0,0,0,1,0|2,0,0]=3 776 B9R1.35 CC(=O)c1ccc([nH]1)O 271570a_203496583355_200010494458 [0,0,0,0,1,0|2,0,0]=3 777 B9R1.35 CC(=O)c1ccc(o1)O 271570a_203496583355_100000229899 [0,0,0,0,1,0|2,0,0]=3 778 B9R1.35 CC(=O)c1ccc(s1)O 271570a_203496583355_100000183331 [0,0,0,0,1,0|2,0,0]=3 779 B9R1.35 CC(=O)c1cnc(s1)O 271570a_203496583355_200010173910 [0,0,0,0,1,0|3,0,0]=4 780 B9R1.35 CC(=O)c1csc(c1)O 271570a_203496583355_200012344231 [0,0,0,0,1,0|2,0,0]=3 781 B9R1.35 CC(=O)c1nc(cs1)O 271570a_203496583355_100010231720 [0,0,0,0,1,0|3,0,0]=4 782 B9R1.35 CC(=O)c1ncc(s1)O 271570a_203496583355_100000693680 [0,0,0,0,1,0|3,0,0]=4 783 B9R1.35 CC(=O)n1cc(cn1)O 271570a_203496583355_100010205889 [0,0,0,0,1,0|3,0,0]=4 784 B9R1.35 NC(=O)c1cc(c[nH]1)O 271570a_203496583355_100000229580 [0,0,0,0,1,0|2,0,0]=3 785 B9R1.35 NC(=O)c1cc(co1)O 271570a_203496583355_200009817131 [0,0,0,0,1,0|2,0,0]=3 786 B9R1.35 NC(=O)c1cc(cs1)O 271570a_203496583355_100009812991 [0,0,0,0,1,0|2,0,0]=3 787 B9R1.35 NC(=O)c1ccc(s1)O 271570a_203496583355_100000162267 [0,0,0,0,1,0|2,0,0]=3 788 B9R1.35 NC(=O)c1cnc(s1)O 271570a_203496583355_100010220624 [0,0,0,0,1,0|3,0,0]=4 789 B9R1.35 NC(=O)c1coc(n1)O 271570a_203496583355_100009981048 [0,0,0,0,1,0|3,0,0]=4 790 B9R1.35 NC(=O)c1csc(c1)O 271570a_203496583355_100000747962 [0,0,0,0,1,0|2,0,0]=3 791 B9R1.35 NC(=O)c1csc(n1)O 271570a_203496583355_100010247141 [0,0,0,0,1,0|3,0,0]=4 792 B9R1.35 OB(O)c1ccc(s1)O 271570a_203496583355_100009813780 [0,0,0,0,1,0|2,0,1]=4 793 B11R1.20 CC(=Cc1ccc(cc1)Br)C 271570a_100102525489_100000752885 [0,0,0,0,0,1|3,0,0]=4 794 B11R1.20 CC(=Cc1ccc(cc1)C)C 271570a_100102525489_100000186775 [0,0,0,0,0,1|3,0,0]=4 795 B11R1.20 CC(=Cc1ccc(cc1)Cl)C 271570a_100102525489_100000755918 [0,0,0,0,0,1|3,0,0]=4 796 B11R1.20 CC(=Cc1ccc(cc1)F)C 271570a_100102525489_100000211213 [0,0,0,0,0,1|3,0,0]=4 797 B11R1.20 CC(=Cc1ccc(cc1)N)C 271570a_100102525489_100000185761 [0,0,0,0,0,1|3,0,0]=4 798 B11R1.20 CC(=Cc1ccc(cc1)O)C 271570a_100102525489_100000185759 [0,0,0,0,0,1|2,0,0]=3 799 B11R1.20 CC(=Cc1ccc(cn1)O)C 271570a_100102525489_100000685995 [0,0,0,0,0,1|3,0,0]=4 800 B11R1.20 CC(=O)Cc1ccc(cc1)Br 1458a_100000070787_100000189115 [0,0,0,0,0,1|2,0,0]=3 801 B11R1.20 CC(=O)Cc1ccc(cc1)Br 1458a_100000198978_200000210301 [0,0,0,0,0,1|2,0,0]=3 802 B11R1.20 CC(=O)Cc1ccc(cc1)C 1458a_100000070787_100000210814 [0,0,0,0,0,1|2,0,0]=3 803 B11R1.20 CC(=O)Cc1ccc(cc1)C 1458a_100000212244_200000210301 [0,0,0,0,0,1|2,0,0]=3 804 B11R1.20 CC(=O)Cc1ccc(cc1)Cl 1458a_100000070787_100000694040 [0,0,0,0,0,1|2,0,0]=3 805 B11R1.20 CC(=O)Cc1ccc(cc1)Cl 1458a_100000211027_200000210301 [0,0,0,0,0,1|2,0,0]=3 806 B11R1.20 CC(=O)Cc1ccc(cc1)F 1458a_100000070787_100000198546 [0,0,0,0,0,1|2,0,0]=3 807 B11R1.20 CC(=O)Cc1ccc(cc1)F 1458a_100000210951_200000210301 [0,0,0,0,0,1|2,0,0]=3 808 B11R1.20 CC(=O)Cc1ccc(cc1)I 1458a_100000070787_100000189116 [0,0,0,0,0,1|2,0,0]=3 809 B11R1.20 CC(=O)Cc1ccc(cc1)I 1458a_100000688869_200000210301 [0,0,0,0,0,1|2,0,0]=3 810 B11R1.20 CC(=O)Cc1ccc(cc1)O 1458a_100000198540_200000210301 [0,0,0,0,0,1|1,0,0]=2 811 B11R1.20 CC(=O)Cc1ccc(cc1)O 271570a_203496583355_100000691760 [0,0,0,0,0,1|1,0,0]=2 812 B11R1.20 CC(=O)Cc1ccc(cn1)Br 1458a_100000070787_100000702658 [0,0,0,0,0,1|3,0,0]=4 813 B11R1.20 CC(=O)Cc1ccc(cn1)Br 1458a_100020629044_200000210301 [0,0,0,0,0,1|3,0,0]=4 814 B11R1.20 CC(=O)Cc1ccc(cn1)C 1458a_100000070787_100000691093 [0,0,0,0,0,1|3,0,0]=4 815 B11R1.20 CC(=O)Cc1ccc(cn1)C 1458a_100025705728_200000210301 [0,0,0,0,0,1|3,0,0]=4 816 B11R1.20 CC(=O)Cc1ccc(cn1)Cl 1458a_100000070787_100012066911 [0,0,0,0,0,1|3,0,0]=4 817 B11R1.20 CC(=O)Cc1ccc(cn1)Cl 1458a_100000728320_200000210301 [0,0,0,0,0,1|3,0,0]=4 818 B11R1.20 CC(=O)Cc1ccc(cn1)F 1458a_100000070787_100000703193 [0,0,0,0,0,1|3,0,0]=4 819 B11R1.20 CC(=O)Cc1ccc(nc1)Br 1458a_100000070787_100009831999 [0,0,0,0,0,1|3,0,0]=4 820 B11R1.20 CC(=O)Cc1ccc(nc1)Br 1458a_100010067268_200000210301 [0,0,0,0,0,1|3,0,0]=4 821 B11R1.20 CC(=O)Cc1ccc(nc1)C 1458a_100000070787_100016987292 [0,0,0,0,0,1|3,0,0]=4 822 B11R1.20 CC(=O)Cc1ccc(nc1)C 1458a_100000740413_200000210301 [0,0,0,0,0,1|3,0,0]=4 823 B11R1.20 CC(=O)Cc1ccc(nc1)Cl 1458a_100000061944_200000210301 [0,0,0,0,0,1|3,0,0]=4 824 B11R1.20 CC(=O)Cc1ccc(nc1)Cl 1458a_100000070787_100000735431 [0,0,0,0,0,1|3,0,0]=4 825 B11R1.20 CC(=O)Cc1ccc(nc1)F 1458a_100000070787_100009820150 [0,0,0,0,0,1|3,0,0]=4 826 B11R1.20 CC(=O)Cn1ccc(=O)cc1 1458a_200000238563_200000210301 [0,0,0,0,0,1|2,0,1]=4 827 B11R1.20 CC(=O)Nc1ccc(cc1)Br 11a_100000210018_100015343762 [0,0,0,0,0,1|2,0,0]=3 828 B11R1.20 CC(=O)Nc1ccc(cc1)Br 1626a_100000210018_100015343762 [0,0,0,0,0,1|2,0,0]=3 829 B11R1.20 CC(=O)Nc1ccc(cc1)Br 22a_100000210018_100000070787 [0,0,0,0,0,1|2,0,0]=3 830 B11R1.20 CC(=O)Nc1ccc(cc1)Br 527a_100000210018_100103153847 [0,0,0,0,0,1|2,0,0]=3 831 B11R1.20 CC(=O)Nc1ccc(cc1)C 11a_100000124888_100015343762 [0,0,0,0,0,1|2,0,0]=3 832 B11R1.20 CC(=O)Nc1ccc(cc1)C 1626a_100000124888_100015343762 [0,0,0,0,0,1|2,0,0]=3 833 B11R1.20 CC(=O)Nc1ccc(cc1)C 22a_100000124888_100000070787 [0,0,0,0,0,1|2,0,0]=3 834 B11R1.20 CC(=O)Nc1ccc(cc1)C 527a_100000124888_100103153847 [0,0,0,0,0,1|2,0,0]=3 835 B11R1.20 CC(=O)Nc1ccc(cc1)Cl 11a_100000210052_100015343762 [0,0,0,0,0,1|2,0,0]=3 836 B11R1.20 CC(=O)Nc1ccc(cc1)Cl 1626a_100000210052_100015343762 [0,0,0,0,0,1|2,0,0]=3 837 B11R1.20 CC(=O)Nc1ccc(cc1)Cl 22a_100000210052_100000070787 [0,0,0,0,0,1|2,0,0]=3 838 B11R1.20 CC(=O)Nc1ccc(cc1)Cl 527a_100000210052_100103153847 [0,0,0,0,0,1|2,0,0]=3 839 B11R1.20 CC(=O)Nc1ccc(cc1)F 11a_100000185862_100015343762 [0,0,0,0,0,1|2,0,0]=3 840 B11R1.20 CC(=O)Nc1ccc(cc1)F 1626a_100000185862_100015343762 [0,0,0,0,0,1|2,0,0]=3 841 B11R1.20 CC(=O)Nc1ccc(cc1)F 22a_100000185862_100000070787 [0,0,0,0,0,1|2,0,0]=3 842 B11R1.20 CC(=O)Nc1ccc(cc1)F 527a_100000185862_100103153847 [0,0,0,0,0,1|2,0,0]=3 843 B11R1.20 CC(=O)Nc1ccc(cc1)I 11a_100000185761_100015343762 [0,0,0,0,0,1|2,0,0]=3 844 B11R1.20 CC(=O)Nc1ccc(cc1)I 1626a_100000185761_100015343762 [0,0,0,0,0,1|2,0,0]=3 845 B11R1.20 CC(=O)Nc1ccc(cc1)I 22a_100000185761_100000070787 [0,0,0,0,0,1|2,0,0]=3 846 B11R1.20 CC(=O)Nc1ccc(cc1)I 527a_100000185761_100103153847 [0,0,0,0,0,1|2,0,0]=3 847 B11R1.20 CC(=O)Nc1ccc(cc1)O 22a_100000185829_100000070787 [0,0,0,0,0,1|1,0,0]=2 848 B11R1.20 CC(=O)Nc1ccc(cc1)O 271570a_203496583355_100000155215 [0,0,0,0,0,1|1,0,0]=2 849 B11R1.20 CC(=O)Nc1ccc(cn1)O 271570a_203496583355_100000193312 [0,0,0,0,0,1|2,0,0]=3 850 B11R1.20 CC(=O)Nc1ccc(nc1)O 271570a_203496583355_100011934715 [0,0,0,0,0,1|2,0,0]=3 851 B11R1.20 CC(=O)Nc1ccc(nn1)O 271570a_203496583355_100011804224 [0,0,0,0,0,1|3,0,0]=4 852 B11R1.20 CC(=O)Nc1ncc(cn1)O 271570a_203496583355_100010141023 [0,0,0,0,0,1|3,0,0]=4 853 B11R1.20 CC(=O)Oc1ccc(cc1)O 271570a_203496583355_100000002173 [0,0,0,0,0,1|1,0,0]=2 854 B11R1.20 CC(=O)Sc1ccc(cc1)O 271570a_203496583355_200009995050 [0,0,0,0,0,1|1,0,0]=2 855 B11R1.20 CC(=S)Oc1ccc(cc1)O 271570a_203496583355_200009816735 [0,0,0,0,0,1|1,1,0]=3 856 B11R1.20 CC(C)Cc1ccc(cc1)O 271570a_203496583355_100011221366 [0,0,0,0,0,1|2,0,1]=4 857 B11R1.20 CC(C)Nc1ccc(cc1)O 271570a_203496583355_100000219625 [0,0,0,0,0,1|2,0,1]=4 858 B11R1.20 CC(C)Nc1ccc(cc1)O 34a_100000185829_100000210206 [0,0,0,0,0,1|2,0,1]=4 859 B11R1.20 CC(C)Oc1ccc(cc1)O 271570a_203496583355_100000169947 [0,0,0,0,0,1|2,0,1]=4 860 B11R1.20 CC(C)Sc1ccc(cc1)O 271570a_203496583355_100009811894 [0,0,0,0,0,1|2,0,1]=4 861 B11R1.20 CC(C)Sc1ccc(cc1)O 62a_100000210206_100000185759 [0,0,0,0,0,1|2,0,1]=4 862 B11R1.20 CN(C)Cc1ccc(cc1)O 2230a_100000207500_200000210301 [0,0,0,0,0,1|3,0,0]=4 863 B11R1.20 CN(C)Cc1ccc(cc1)O 269982a_100000207500_200000210301 [0,0,0,0,0,1|3,0,0]=4 864 B11R1.20 CN(C)Cc1ccc(cc1)O 271570a_203496583355_100000174694 [0,0,0,0,0,1|3,0,0]=4 865 B11R1.20 CN([13CH3])Cc1ccc(cc1)O 2230a_100000207500_200025704644 [0,0,0,0,0,1|3,0,0]=4 866 B11R1.20 CN([13CH3])Cc1ccc(cc1)O 269982a_100000207500_200025704644 [0,0,0,0,0,1|3,0,0]=4 867 B11R1.20 Cc1ccc(cc1)CC(=O)[13CH3] 1458a_100000212244_200025704644 [0,0,0,0,0,1|2,0,0]=3 868 B11R1.20 Cc1ccc(cn1)CC(=O)[13CH3] 1458a_100000740413_200025704644 [0,0,0,0,0,1|3,0,0]=4 869 B11R1.20 Cc1ccc(nc1)CC(=O)[13CH3] 1458a_100025705728_200025704644 [0,0,0,0,0,1|3,0,0]=4 870 B11R1.20 NC(=O)Cc1ccc(cc1)O 271570a_203496583355_100000162331 [0,0,0,0,0,1|1,0,0]=2 871 B11R1.20 NC(=O)Cc1ccc(cn1)O 271570a_203496583355_200010888337 [0,0,0,0,0,1|2,0,0]=3 872 B11R1.20 NC(=O)Cc1ccc(nc1)O 271570a_203496583355_200000071513 [0,0,0,0,0,1|2,0,0]=3 873 B11R1.20 NC(=O)Cc1ccc(nn1)O 271570a_203496583355_100015841783 [0,0,0,0,0,1|3,0,0]=4 874 B11R1.20 NC(=O)Nc1ccc(cc1)O 271570a_203496583355_100000198584 [0,0,0,0,0,1|1,0,0]=2 875 B11R1.20 Oc1ccc(cc1)C=C(Br)Br 271570a_203496583355_200013992848 [0,0,0,0,0,1|2,0,0]=3 876 B11R1.20 Oc1ccc(cc1)C=C(F)F 271570a_203496583355_200009816947 [0,0,0,0,0,1|2,0,0]=3 877 B11R1.20 Oc1ccc(cc1)OC(F)F 271570a_203496583355_100000179047 [0,0,0,0,0,1|2,0,1]=4 878 B11R1.20 Oc1ccc(cc1)SC(F)F 271570a_203496583355_100000178776 [0,0,0,0,0,1|2,0,1]=4 879 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)Br 1458a_100000198978_200025704644 [0,0,0,0,0,1|2,0,0]=3 880 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)Cl 1458a_100000211027_200025704644 [0,0,0,0,0,1|2,0,0]=3 881 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)F 1458a_100000210951_200025704644 [0,0,0,0,0,1|2,0,0]=3 882 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)I 1458a_100000688869_200025704644 [0,0,0,0,0,1|2,0,0]=3 883 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)O 1458a_100000198540_200025704644 [0,0,0,0,0,1|1,0,0]=2 884 B11R1.20 [13CH3]C(=O)Cc1ccc(cn1)Br 1458a_100020629044_200025704644 [0,0,0,0,0,1|3,0,0]=4 885 B11R1.20 [13CH3]C(=O)Cc1ccc(cn1)Cl 1458a_100000728320_200025704644 [0,0,0,0,0,1|3,0,0]=4 886 B11R1.20 [13CH3]C(=O)Cc1ccc(nc1)Br 1458a_100010067268_200025704644 [0,0,0,0,0,1|3,0,0]=4 887 B11R1.20 [13CH3]C(=O)Cc1ccc(nc1)Cl 1458a_100000061944_200025704644 [0,0,0,0,0,1|3,0,0]=4 888 B11R1.20 [13CH3]C(=O)Cn1ccc(=O)cc1 1458a_200000238563_200025704644 [0,0,0,0,0,1|2,0,1]=4 889 B8R1.2 C=Cc1ccccc1 271570a_100011290941_100000210277 [2,0,0,0,0,0|1,0,0]=3 890 B8R1.2 C=Cc1ccccn1 271570a_100011290941_100011216584 [2,0,0,0,0,0|2,0,0]=4 891 B8R1.2 C=Cc1cccnc1 271570a_100011290941_100000752921 [2,0,0,0,0,0|2,0,0]=4 892 B8R1.2 C=Cc1ccncc1 271570a_100011290941_100000035832 [2,0,0,0,0,0|2,0,0]=4 893 B8R1.2 CNc1ccccc1 34a_100000106764_200000210301 [2,0,0,0,0,0|2,0,0]=4 894 B8R1.2 COc1ccccc1 34a_100000210340_200000210301 [2,0,0,0,0,0|2,0,0]=4 895 B8R1.2 COc1ccccc1 7a_100000210340_200000210301 [2,0,0,0,0,0|2,0,0]=4 896 B8R1.2 CSc1ccccc1 62a_100000719477_200000210301 [2,0,0,0,0,0|2,0,0]=4 897 B8R1.2 CSc1ccccc1 62a_200000210301_100000041952 [2,0,0,0,0,0|2,0,0]=4 898 B8R1.2 [13CH3]Nc1ccccc1 34a_100000106764_200025704644 [2,0,0,0,0,0|2,0,0]=4 899 B8R1.2 [13CH3]Oc1ccccc1 34a_100000210340_200025704644 [2,0,0,0,0,0|2,0,0]=4 900 B8R1.2 [13CH3]Oc1ccccc1 7a_100000210340_200025704644 [2,0,0,0,0,0|2,0,0]=4 901 B8R1.2 [13CH3]Sc1ccccc1 62a_100000719477_200025704644 [2,0,0,0,0,0|2,0,0]=4 902 B8R1.2 [13CH3]Sc1ccccc1 62a_200025704644_100000041952 [2,0,0,0,0,0|2,0,0]=4 903 B8R1.3 Cc1ccc(cc1)O 271570a_203496583355_100000186775 [2,0,0,0,0,0|0,0,1]=3 904 B8R1.3 Cc1ccc(cn1)O 271570a_203496583355_100000751577 [2,0,0,0,0,0|1,0,1]=4 905 B8R1.3 Cc1ccc(nc1)O 271570a_203496583355_100000754016 [2,0,0,0,0,0|1,0,1]=4 906 B8R1.3 Nc1ccc(cc1)O 271570a_203496583355_100000185761 [2,0,0,0,0,0|1,0,0]=3 907 B8R1.3 Nc1ccc(cn1)O 271570a_203496583355_100000187370 [2,0,0,0,0,0|2,0,0]=4 908 B8R1.3 Nc1ccc(nc1)O 271570a_203496583355_100000744251 [2,0,0,0,0,0|2,0,0]=4 909 B8R1.3 O=c1ccc(c[nH]1)O 271570a_203496583355_100000212171 [2,0,0,0,0,0|1,0,0]=3 910 B8R1.3 O=c1ccc(n[nH]1)O 271570a_203496583355_100009820020 [2,0,0,0,0,0|2,0,0]=4 911 B8R1.3 O=c1ncc(c[nH]1)O 271570a_203496583355_102495366499 [2,0,0,0,0,0|2,0,0]=4 912 B8R1.3 Oc1ccc(cc1)Br 271570a_203496583355_100000752885 [2,0,0,0,0,0|1,0,0]=3 913 B8R1.3 Oc1ccc(cc1)Cl 271570a_203496583355_100000755918 [2,0,0,0,0,0|1,0,0]=3 914 B8R1.3 Oc1ccc(cc1)F 271570a_203496583355_100000211213 [2,0,0,0,0,0|1,0,0]=3 915 B8R1.3 Oc1ccc(cc1)O 271570a_203496583355_100000185759 [2,0,0,0,0,0|0,0,0]=2 916 B8R1.3 Oc1ccc(cn1)Br 271570a_203496583355_100000686858 [2,0,0,0,0,0|2,0,0]=4 917 B8R1.3 Oc1ccc(cn1)Cl 271570a_203496583355_100011356976 [2,0,0,0,0,0|2,0,0]=4 918 B8R1.3 Oc1ccc(cn1)F 271570a_203496583355_100000744514 [2,0,0,0,0,0|2,0,0]=4 919 B8R1.3 Oc1ccc(nc1)Br 271570a_203496583355_100009814638 [2,0,0,0,0,0|2,0,0]=4 920 B8R1.3 Oc1ccc(nc1)Cl 271570a_203496583355_100000034144 [2,0,0,0,0,0|2,0,0]=4 921 B8R1.3 Oc1ccc(nc1)F 271570a_203496583355_100000748661 [2,0,0,0,0,0|2,0,0]=4 922 B8R1.3 Oc1ccc(nc1)O 271570a_203496583355_100000685995 [2,0,0,0,0,0|1,0,0]=3 923 B8R1.3 Oc1cnc(nc1)O 271570a_203496583355_100000730009 [2,0,0,0,0,0|2,0,0]=4 924 B8R1.3 [O-][n+]1ccc(cc1)O 271570a_203496583355_100000039755 [2,0,0,0,0,0|1,0,1]=4 925 B10R1.1 C/C=C/c1ccc(cc1)O 271570a_203496583355_100016259036 [1,1,0,0,0,0|1,0,0]=3 926 B10R1.1 C=C=Cc1ccc(cc1)Br 271570a_100015277604_100000752885 [1,1,0,0,0,0|2,0,0]=4 927 B10R1.1 C=C=Cc1ccc(cc1)C 271570a_100015277604_100000186775 [1,1,0,0,0,0|2,0,0]=4 928 B10R1.1 C=C=Cc1ccc(cc1)Cl 271570a_100015277604_100000755918 [1,1,0,0,0,0|2,0,0]=4 929 B10R1.1 C=C=Cc1ccc(cc1)F 271570a_100015277604_100000211213 [1,1,0,0,0,0|2,0,0]=4 930 B10R1.1 C=C=Cc1ccc(cc1)N 271570a_100015277604_100000185761 [1,1,0,0,0,0|2,0,0]=4 931 B10R1.1 C=C=Cc1ccc(cc1)O 271570a_100015277604_100000185759 [1,1,0,0,0,0|1,0,0]=3 932 B10R1.1 C=C=Cc1ccc(cn1)O 271570a_100015277604_100000685995 [1,1,0,0,0,0|2,0,0]=4 933 B10R1.1 CC=Cc1ccc(cc1)Br 271570a_100016259895_100000752885 [1,1,0,0,0,0|2,0,0]=4 934 B10R1.1 CC=Cc1ccc(cc1)C 271570a_100016259895_100000186775 [1,1,0,0,0,0|2,0,0]=4 935 B10R1.1 CC=Cc1ccc(cc1)Cl 271570a_100016259895_100000755918 [1,1,0,0,0,0|2,0,0]=4 936 B10R1.1 CC=Cc1ccc(cc1)F 271570a_100016259895_100000211213 [1,1,0,0,0,0|2,0,0]=4 937 B10R1.1 CC=Cc1ccc(cc1)N 271570a_100016259895_100000185761 [1,1,0,0,0,0|2,0,0]=4 938 B10R1.1 CC=Cc1ccc(cc1)O 271570a_100016259895_100000185759 [1,1,0,0,0,0|1,0,0]=3 939 B10R1.1 CC=Cc1ccc(cn1)O 271570a_100016259895_100000685995 [1,1,0,0,0,0|2,0,0]=4 940 B10R1.1 CCCc1ccc(cc1)O 271570a_203496583355_100000750032 [1,1,0,0,0,0|1,0,1]=4 941 B10R1.1 CCNc1ccc(cc1)O 271570a_203496583355_100000219632 [1,1,0,0,0,0|1,0,1]=4 942 B10R1.1 CCNc1ccc(cc1)O 34a_100000185829_100000210202 [1,1,0,0,0,0|1,0,1]=4 943 B10R1.1 CCOc1ccc(cc1)O 271570a_203496583355_100000169946 [1,1,0,0,0,0|1,0,1]=4 944 B10R1.1 CCSc1ccc(cc1)O 271570a_203496583355_200009811893 [1,1,0,0,0,0|1,0,1]=4 945 B10R1.1 CCSc1ccc(cc1)O 62a_100000210202_100000185759 [1,1,0,0,0,0|1,0,1]=4 946 B10R1.1 CNCc1ccc(cc1)O 271570a_203496583355_100000180866 [1,1,0,0,0,0|1,0,1]=4 947 B10R1.1 CNCc1ccc(cc1)O 34a_100000185549_200000210301 [1,1,0,0,0,0|1,0,1]=4 948 B10R1.1 COCc1ccc(cc1)Br 34a_100000695286_200000210301 [1,1,0,0,0,0|1,0,1]=4 949 B10R1.1 COCc1ccc(cc1)Br 34a_100138415774_100000189115 [1,1,0,0,0,0|1,0,1]=4 950 B10R1.1 COCc1ccc(cc1)C 34a_100011215236_200000210301 [1,1,0,0,0,0|1,0,1]=4 951 B10R1.1 COCc1ccc(cc1)C 34a_100138415774_100000210814 [1,1,0,0,0,0|1,0,1]=4 952 B10R1.1 COCc1ccc(cc1)C 7a_100011215236_200000210301 [1,1,0,0,0,0|1,0,1]=4 953 B10R1.1 COCc1ccc(cc1)Cl 34a_100000211118_200000210301 [1,1,0,0,0,0|1,0,1]=4 954 B10R1.1 COCc1ccc(cc1)Cl 34a_100138415774_100000694040 [1,1,0,0,0,0|1,0,1]=4 955 B10R1.1 COCc1ccc(cc1)Cl 7a_100000211118_200000210301 [1,1,0,0,0,0|1,0,1]=4 956 B10R1.1 COCc1ccc(cc1)F 34a_100000210977_200000210301 [1,1,0,0,0,0|1,0,1]=4 957 B10R1.1 COCc1ccc(cc1)F 34a_100138415774_100000198546 [1,1,0,0,0,0|1,0,1]=4 958 B10R1.1 COCc1ccc(cc1)F 7a_100000210977_200000210301 [1,1,0,0,0,0|1,0,1]=4 959 B10R1.1 COCc1ccc(cc1)I 34a_100000690907_200000210301 [1,1,0,0,0,0|1,0,1]=4 960 B10R1.1 COCc1ccc(cc1)I 34a_100138415774_100000189116 [1,1,0,0,0,0|1,0,1]=4 961 B10R1.1 COCc1ccc(cc1)I 7a_100000690907_200000210301 [1,1,0,0,0,0|1,0,1]=4 962 B10R1.1 COCc1ccc(cc1)N 34a_100011215238_200000210301 [1,1,0,0,0,0|1,0,1]=4 963 B10R1.1 COCc1ccc(cc1)O 271570a_203496583355_100011493685 [1,1,0,0,0,0|0,0,1]=3 964 B10R1.1 Cc1ccc(cc1)CO[13CH3] 34a_100011215236_200025704644 [1,1,0,0,0,0|1,0,1]=4 965 B10R1.1 Cc1ccc(cc1)CO[13CH3] 7a_100011215236_200025704644 [1,1,0,0,0,0|1,0,1]=4 966 B10R1.1 N#CCc1ccc(cc1)O 271570a_203496583355_100011217881 [1,1,0,0,0,0|1,0,1]=4 967 B10R1.1 N#CNc1ccc(cc1)O 271570a_203496583355_100011685341 [1,1,0,0,0,0|1,0,1]=4 968 B10R1.1 NCCc1ccc(cc1)O 271570a_203496583355_100000755846 [1,1,0,0,0,0|1,0,1]=4 969 B10R1.1 NNCc1ccc(cc1)O 271570a_203496583355_100016993955 [1,1,0,0,0,0|1,0,1]=4 970 B10R1.1 O=CCc1ccc(cc1)O 271570a_203496583355_100011361690 [1,1,0,0,0,0|0,0,0]=2 971 B10R1.1 OCCc1ccc(cc1)O 271570a_203496583355_100000766406 [1,1,0,0,0,0|0,0,1]=3 972 B10R1.1 OCCc1ccc(cn1)O 271570a_203496583355_100012357577 [1,1,0,0,0,0|1,0,1]=4 973 B10R1.1 OCCc1ccc(nc1)O 271570a_203496583355_100009880866 [1,1,0,0,0,0|1,0,1]=4 974 B10R1.1 Oc1ccc(cc1)/C=C/Br 271570a_203496583355_200016255901 [1,1,0,0,0,0|1,0,0]=3 975 B10R1.1 Oc1ccc(cc1)NCF 34a_100000185829_100015361967 [1,1,0,0,0,0|1,0,1]=4 976 B10R1.1 Oc1ccc(cc1)SCF 62a_100015361967_100000185759 [1,1,0,0,0,0|1,0,1]=4 977 B10R1.1 [13CH3]NCc1ccc(cc1)O 34a_100000185549_200025704644 [1,1,0,0,0,0|1,0,1]=4 978 B10R1.1 [13CH3]OCc1ccc(cc1)Br 34a_100000695286_200025704644 [1,1,0,0,0,0|1,0,1]=4 979 B10R1.1 [13CH3]OCc1ccc(cc1)Cl 34a_100000211118_200025704644 [1,1,0,0,0,0|1,0,1]=4 980 B10R1.1 [13CH3]OCc1ccc(cc1)Cl 7a_100000211118_200025704644 [1,1,0,0,0,0|1,0,1]=4 981 B10R1.1 [13CH3]OCc1ccc(cc1)F 34a_100000210977_200025704644 [1,1,0,0,0,0|1,0,1]=4 982 B10R1.1 [13CH3]OCc1ccc(cc1)F 7a_100000210977_200025704644 [1,1,0,0,0,0|1,0,1]=4 983 B10R1.1 [13CH3]OCc1ccc(cc1)I 34a_100000690907_200025704644 [1,1,0,0,0,0|1,0,1]=4 984 B10R1.1 [13CH3]OCc1ccc(cc1)I 7a_100000690907_200025704644 [1,1,0,0,0,0|1,0,1]=4 985 B10R1.1 [13CH3]OCc1ccc(cc1)N 34a_100011215238_200025704644 [1,1,0,0,0,0|1,0,1]=4 986 B10R1.1 [N-]=[N+]=Nc1ccc(cc1)O 271570a_203496583355_100000735661 [1,1,0,0,0,0|2,0,0]=4 987 B10R1.3 C=Cc1ccc(cc1)C#N 271570a_100011290941_100000179745 [1,1,0,0,0,0|2,0,0]=4 988 B10R1.3 C=Cc1ccc(cc1)C=O 271570a_100011290941_100000186029 [1,1,0,0,0,0|1,0,0]=3 989 B10R1.3 C=Cc1ccc(cc1)CC 271570a_100011290941_100011215824 [1,1,0,0,0,0|2,0,0]=4 990 B10R1.3 C=Cc1ccc(cc1)CF 271570a_100011290941_100010268989 [1,1,0,0,0,0|2,0,0]=4 991 B10R1.3 C=Cc1ccc(cc1)CN 271570a_100011290941_100016989417 [1,1,0,0,0,0|2,0,0]=4 992 B10R1.3 C=Cc1ccc(cc1)CO 271570a_100011290941_100000690907 [1,1,0,0,0,0|1,0,0]=3 993 B10R1.3 C=Cc1ccc(cc1)NC 271570a_100011290941_100000219623 [1,1,0,0,0,0|2,0,0]=4 994 B10R1.3 C=Cc1ccc(cc1)NC 34a_100011218248_200000210301 [1,1,0,0,0,0|2,0,0]=4 995 B10R1.3 C=Cc1ccc(cc1)NN 271570a_100011290941_100016988836 [1,1,0,0,0,0|2,0,0]=4 996 B10R1.3 C=Cc1ccc(cc1)N[13CH3] 34a_100011218248_200025704644 [1,1,0,0,0,0|2,0,0]=4 997 B10R1.3 C=Cc1ccc(cc1)OC 271570a_100011290941_100000171711 [1,1,0,0,0,0|1,0,0]=3 998 B10R1.3 C=Cc1ccc(cc1)OC 34a_100000189437_200000210301 [1,1,0,0,0,0|1,0,0]=3 999 B10R1.3 C=Cc1ccc(cc1)OC 7a_100000189437_200000210301 [1,1,0,0,0,0|1,0,0]=3 1000 B10R1.3 C=Cc1ccc(cc1)O[13CH3] 34a_100000189437_200025704644 [1,1,0,0,0,0|1,0,0]=3 1001 B10R1.3 C=Cc1ccc(cc1)O[13CH3] 7a_100000189437_200025704644 [1,1,0,0,0,0|1,0,0]=3 1002 B10R1.3 C=Cc1ccc(cc1)SC 271570a_100011290941_100011263217 [1,1,0,0,0,0|1,1,0]=4 1003 B10R1.3 C=Cc1ccc(cc1)SC 62a_100000748128_200000210301 [1,1,0,0,0,0|1,1,0]=4 1004 B10R1.3 C=Cc1ccc(cc1)SC 62a_200000210301_100000748128 [1,1,0,0,0,0|1,1,0]=4 1005 B10R1.3 C=Cc1ccc(cc1)S[13CH3] 62a_100000748128_200025704644 [1,1,0,0,0,0|1,1,0]=4 1006 B10R1.3 C=Cc1ccc(cc1)S[13CH3] 62a_200025704644_100000748128 [1,1,0,0,0,0|1,1,0]=4 1007 B10R1.3 C=Cc1ccc(cn1)C=O 271570a_100011290941_100000766901 [1,1,0,0,0,0|2,0,0]=4 1008 B10R1.3 C=Cc1ccc(cn1)CO 271570a_100011290941_100009816760 [1,1,0,0,0,0|2,0,0]=4 1009 B10R1.3 C=Cc1ccc(cn1)OC 271570a_100011290941_100000755202 [1,1,0,0,0,0|2,0,0]=4 1010 B10R1.3 C=Cc1ccc(nc1)C=O 271570a_100011290941_100000754260 [1,1,0,0,0,0|2,0,0]=4 1011 B10R1.3 C=Cc1ccc(nc1)CO 271570a_100011290941_100000754261 [1,1,0,0,0,0|2,0,0]=4 1012 B10R1.3 C=Cc1ccc(nc1)OC 271570a_100011290941_100000047065 [1,1,0,0,0,0|2,0,0]=4 1013 B10R1.3 CCc1ccc(cc1)OC 34a_100000211359_200000210301 [1,1,0,0,0,0|1,0,1]=4 1014 B10R1.3 CCc1ccc(cc1)OC 7a_100000211359_200000210301 [1,1,0,0,0,0|1,0,1]=4 1015 B10R1.3 CCc1ccc(cc1)O[13CH3] 34a_100000211359_200025704644 [1,1,0,0,0,0|1,0,1]=4 1016 B10R1.3 CCc1ccc(cc1)O[13CH3] 7a_100000211359_200025704644 [1,1,0,0,0,0|1,0,1]=4 1017 B10R1.3 CNc1ccc(cc1)CO 2230a_100011215238_200000210301 [1,1,0,0,0,0|1,0,1]=4 1018 B10R1.3 CNc1ccc(cc1)CO 34a_100011215238_200000210301 [1,1,0,0,0,0|1,0,1]=4 1019 B10R1.3 CNc1ccc(cc1)OC 34a_100000182112_200000210301 [1,1,0,0,0,0|2,0,0]=4 1020 B10R1.3 CNc1ccc(cc1)OC 34a_100000184247_200000210301 [1,1,0,0,0,0|2,0,0]=4 1021 B10R1.3 CNc1ccc(cc1)O[13CH3] 34a_100000182112_200025704644 [1,1,0,0,0,0|2,0,0]=4 1022 B10R1.3 COc1ccc(cc1)C#N 34a_100000210344_200000210301 [1,1,0,0,0,0|1,0,1]=4 1023 B10R1.3 COc1ccc(cc1)C#N 7a_100000210344_200000210301 [1,1,0,0,0,0|1,0,1]=4 1024 B10R1.3 COc1ccc(cc1)CN 34a_100000185549_200000210301 [1,1,0,0,0,0|1,0,1]=4 1025 B10R1.3 COc1ccc(cc1)CO 34a_100000211755_200000210301 [1,1,0,0,0,0|0,0,1]=3 1026 B10R1.3 COc1ccc(cc1)N[13CH3] 34a_100000184247_200025704644 [1,1,0,0,0,0|2,0,0]=4 1027 B10R1.3 COc1ccc(cc1)OC 34a_100000210503_200000210301 [1,1,0,0,0,0|2,0,0]=4 1028 B10R1.3 COc1ccc(cc1)O[13CH3] 34a_100000210503_200025704644 [1,1,0,0,0,0|2,0,0]=4 1029 B10R1.3 COc1ccc(cc1)SC 34a_100000211864_200000210301 [1,1,0,0,0,0|2,0,0]=4 1030 B10R1.3 COc1ccc(cc1)SC 62a_200000210301_100000171711 [1,1,0,0,0,0|2,0,0]=4 1031 B10R1.3 COc1ccc(cc1)S[13CH3] 62a_200025704644_100000171711 [1,1,0,0,0,0|2,0,0]=4 1032 B10R1.3 COc1ccc(nc1)CO 34a_103436540053_200000210301 [1,1,0,0,0,0|1,0,1]=4 1033 B10R1.3 CSc1ccc(cc1)C=O 62a_100000188517_200000210301 [1,1,0,0,0,0|0,1,0]=3 1034 B10R1.3 CSc1ccc(cc1)C=O 62a_200000210301_100000188517 [1,1,0,0,0,0|0,1,0]=3 1035 B10R1.3 CSc1ccc(cc1)CO 62a_100000690907_200000210301 [1,1,0,0,0,0|0,1,1]=4 1036 B10R1.3 CSc1ccc(cc1)CO 62a_200000210301_100000690907 [1,1,0,0,0,0|0,1,1]=4 1037 B10R1.3 CSc1ccc(cc1)O[13CH3] 34a_100000211864_200025704644 [1,1,0,0,0,0|2,0,0]=4 1038 B10R1.3 CSc1ccc(cn1)C=O 62a_100000766901_200000210301 [1,1,0,0,0,0|1,1,0]=4 1039 B10R1.3 CSc1ccc(cn1)C=O 62a_200000210301_100000766901 [1,1,0,0,0,0|1,1,0]=4 1040 B10R1.3 CSc1ccc(nc1)C=O 62a_100000754260_200000210301 [1,1,0,0,0,0|1,1,0]=4 1041 B10R1.3 CSc1ccc(nc1)C=O 62a_200000210301_100000754260 [1,1,0,0,0,0|1,1,0]=4 1042 B10R1.3 [13CH3]Nc1ccc(cc1)CO 2230a_100011215238_200025704644 [1,1,0,0,0,0|1,0,1]=4 1043 B10R1.3 [13CH3]Nc1ccc(cc1)CO 34a_100011215238_200025704644 [1,1,0,0,0,0|1,0,1]=4 1044 B10R1.3 [13CH3]Oc1ccc(cc1)C#N 34a_100000210344_200025704644 [1,1,0,0,0,0|1,0,1]=4 1045 B10R1.3 [13CH3]Oc1ccc(cc1)C#N 7a_100000210344_200025704644 [1,1,0,0,0,0|1,0,1]=4 1046 B10R1.3 [13CH3]Oc1ccc(cc1)CN 34a_100000185549_200025704644 [1,1,0,0,0,0|1,0,1]=4 1047 B10R1.3 [13CH3]Oc1ccc(cc1)CO 34a_100000211755_200025704644 [1,1,0,0,0,0|0,0,1]=3 1048 B10R1.3 [13CH3]Oc1ccc(nc1)CO 34a_103436540053_200025704644 [1,1,0,0,0,0|1,0,1]=4 1049 B10R1.3 [13CH3]Sc1ccc(cc1)C=O 62a_100000188517_200025704644 [1,1,0,0,0,0|0,1,0]=3 1050 B10R1.3 [13CH3]Sc1ccc(cc1)C=O 62a_200025704644_100000188517 [1,1,0,0,0,0|0,1,0]=3 1051 B10R1.3 [13CH3]Sc1ccc(cc1)CO 62a_100000690907_200025704644 [1,1,0,0,0,0|0,1,1]=4 1052 B10R1.3 [13CH3]Sc1ccc(cc1)CO 62a_200025704644_100000690907 [1,1,0,0,0,0|0,1,1]=4 1053 B10R1.3 [13CH3]Sc1ccc(cn1)C=O 62a_100000766901_200025704644 [1,1,0,0,0,0|1,1,0]=4 1054 B10R1.3 [13CH3]Sc1ccc(cn1)C=O 62a_200025704644_100000766901 [1,1,0,0,0,0|1,1,0]=4 1055 B10R1.3 [13CH3]Sc1ccc(nc1)C=O 62a_100000754260_200025704644 [1,1,0,0,0,0|1,1,0]=4 1056 B10R1.3 [13CH3]Sc1ccc(nc1)C=O 62a_200025704644_100000754260 [1,1,0,0,0,0|1,1,0]=4 1057 B10R1.25 C=Cc1ccc(cc1Br)Br 271570a_100011290941_100011484698 [1,1,0,0,0,0|2,0,0]=4 1058 B10R1.25 C=Cc1ccc(cc1Br)C 271570a_100011290941_100009813563 [1,1,0,0,0,0|2,0,0]=4 1059 B10R1.25 C=Cc1ccc(cc1Br)Cl 271570a_100011290941_100011219703 [1,1,0,0,0,0|2,0,0]=4 1060 B10R1.25 C=Cc1ccc(cc1Br)F 271570a_100011290941_100011217111 [1,1,0,0,0,0|2,0,0]=4 1061 B10R1.25 C=Cc1ccc(cc1Br)N 271570a_100011290941_100000750458 [1,1,0,0,0,0|2,0,0]=4 1062 B10R1.25 C=Cc1ccc(cc1Br)O 271570a_100011290941_100000701344 [1,1,0,0,0,0|1,0,0]=3 1063 B10R1.25 C=Cc1ccc(cc1C)Br 271570a_100011290941_100000701812 [1,1,0,0,0,0|2,0,0]=4 1064 B10R1.25 C=Cc1ccc(cc1C)C 271570a_100011290941_100011217332 [1,1,0,0,0,0|2,0,0]=4 1065 B10R1.25 C=Cc1ccc(cc1C)Cl 271570a_100011290941_100011219607 [1,1,0,0,0,0|2,0,0]=4 1066 B10R1.25 C=Cc1ccc(cc1C)F 271570a_100011290941_100011205405 [1,1,0,0,0,0|2,0,0]=4 1067 B10R1.25 C=Cc1ccc(cc1C)N 271570a_100011290941_100000210723 [1,1,0,0,0,0|2,0,0]=4 1068 B10R1.25 C=Cc1ccc(cc1C)O 271570a_100011290941_100000729255 [1,1,0,0,0,0|1,0,0]=3 1069 B10R1.25 C=Cc1ccc(cc1Cl)Br 271570a_100011290941_100011216062 [1,1,0,0,0,0|2,0,0]=4 1070 B10R1.25 C=Cc1ccc(cc1Cl)C 271570a_100011290941_100011263221 [1,1,0,0,0,0|2,0,0]=4 1071 B10R1.25 C=Cc1ccc(cc1Cl)Cl 271570a_100011290941_100000699841 [1,1,0,0,0,0|2,0,0]=4 1072 B10R1.25 C=Cc1ccc(cc1Cl)F 271570a_100011290941_100000733362 [1,1,0,0,0,0|2,0,0]=4 1073 B10R1.25 C=Cc1ccc(cc1Cl)N 271570a_100011290941_100000761885 [1,1,0,0,0,0|2,0,0]=4 1074 B10R1.25 C=Cc1ccc(cc1Cl)O 271570a_100011290941_100000047559 [1,1,0,0,0,0|1,0,0]=3 1075 B10R1.25 C=Cc1ccc(cc1F)Br 271570a_100011290941_100009814013 [1,1,0,0,0,0|2,0,0]=4 1076 B10R1.25 C=Cc1ccc(cc1F)C 271570a_100011290941_100011216119 [1,1,0,0,0,0|2,0,0]=4 1077 B10R1.25 C=Cc1ccc(cc1F)Cl 271570a_100011290941_100011216042 [1,1,0,0,0,0|2,0,0]=4 1078 B10R1.25 C=Cc1ccc(cc1F)F 271570a_100011290941_100000750030 [1,1,0,0,0,0|2,0,0]=4 1079 B10R1.25 C=Cc1ccc(cc1F)N 271570a_100011290941_100011356925 [1,1,0,0,0,0|2,0,0]=4 1080 B10R1.25 C=Cc1ccc(cc1F)O 271570a_100011290941_100000755031 [1,1,0,0,0,0|1,0,0]=3 1081 B10R1.25 C=Cc1ccc(cc1N)Br 271570a_100011290941_100000743836 [1,1,0,0,0,0|2,0,0]=4 1082 B10R1.25 C=Cc1ccc(cc1N)C 271570a_100011290941_100011216686 [1,1,0,0,0,0|2,0,0]=4 1083 B10R1.25 C=Cc1ccc(cc1N)Cl 271570a_100011290941_100000761886 [1,1,0,0,0,0|2,0,0]=4 1084 B10R1.25 C=Cc1ccc(cc1N)F 271570a_100011290941_100011218093 [1,1,0,0,0,0|2,0,0]=4 1085 B10R1.25 C=Cc1ccc(cc1N)N 271570a_100011290941_200012175722 [1,1,0,0,0,0|2,0,0]=4 1086 B10R1.25 C=Cc1ccc(cc1N)O 271570a_100011290941_100011999798 [1,1,0,0,0,0|1,0,0]=3 1087 B10R1.25 C=Cc1ccc(cc1O)Br 271570a_100011290941_100012344904 [1,1,0,0,0,0|2,0,0]=4 1088 B10R1.25 C=Cc1ccc(cc1O)C 271570a_100011290941_100012002257 [1,1,0,0,0,0|2,0,0]=4 1089 B10R1.25 C=Cc1ccc(cc1O)Cl 271570a_100011290941_100000050036 [1,1,0,0,0,0|2,0,0]=4 1090 B10R1.25 C=Cc1ccc(cc1O)F 271570a_100011290941_100000690578 [1,1,0,0,0,0|2,0,0]=4 1091 B10R1.25 C=Cc1ccc(cc1O)O 271570a_100011290941_100009813921 [1,1,0,0,0,0|1,0,0]=3 1092 B10R1.25 C=Cc1ccc(nc1C)O 271570a_100011290941_100000691680 [1,1,0,0,0,0|2,0,0]=4 1093 B10R1.25 C=Cc1ccc(nc1F)O 271570a_100011290941_100009879308 [1,1,0,0,0,0|2,0,0]=4 1094 B10R1.25 C=Cc1cnc(cc1C)O 271570a_100011290941_100010114363 [1,1,0,0,0,0|2,0,0]=4 1095 B10R1.25 C=Cc1ncc(cc1C)O 271570a_100011290941_100012000486 [1,1,0,0,0,0|2,0,0]=4 1096 B10R1.25 C=Cc1ncc(cc1F)O 271570a_100011290941_100000063512 [1,1,0,0,0,0|2,0,0]=4 1097 B10R1.25 CCc1ccc(cc1F)O 271570a_203496583355_200010071577 [1,1,0,0,0,0|1,0,1]=4 1098 B10R1.25 CCc1ccc(cc1N)O 271570a_203496583355_100012354963 [1,1,0,0,0,0|1,0,1]=4 1099 B10R1.25 CNc1ccc(cc1Br)O 34a_100012001276_200000210301 [1,1,0,0,0,0|2,0,0]=4 1100 B10R1.25 CNc1ccc(cc1C)O 271570a_203496583355_100000221803 [1,1,0,0,0,0|2,0,0]=4 1101 B10R1.25 CNc1ccc(cc1C)O 34a_100000756630_200000210301 [1,1,0,0,0,0|2,0,0]=4 1102 B10R1.25 CNc1ccc(cc1Cl)O 34a_100011215599_200000210301 [1,1,0,0,0,0|2,0,0]=4 1103 B10R1.25 CNc1ccc(cc1F)O 271570a_203496583355_100000743884 [1,1,0,0,0,0|2,0,0]=4 1104 B10R1.25 CNc1ccc(cc1F)O 34a_100000759473_200000210301 [1,1,0,0,0,0|2,0,0]=4 1105 B10R1.25 CNc1ccc(cc1I)O 34a_100010084370_200000210301 [1,1,0,0,0,0|2,0,0]=4 1106 B10R1.25 CNc1ccc(cc1N)O 271570a_203496583355_100000741790 [1,1,0,0,0,0|2,0,0]=4 1107 B10R1.25 CNc1ccc(cc1O)O 34a_100000106777_200000210301 [1,1,0,0,0,0|2,0,0]=4 1108 B10R1.25 COc1ccc(cc1Br)O 271570a_203496583355_100011249507 [1,1,0,0,0,0|2,0,0]=4 1109 B10R1.25 COc1ccc(cc1C)O 271570a_203496583355_100011219705 [1,1,0,0,0,0|2,0,0]=4 1110 B10R1.25 COc1ccc(cc1Cl)O 271570a_203496583355_100012355395 [1,1,0,0,0,0|2,0,0]=4 1111 B10R1.25 COc1ccc(cc1F)O 271570a_203496583355_100000185480 [1,1,0,0,0,0|2,0,0]=4 1112 B10R1.25 COc1ccc(cc1N)O 271570a_203496583355_100000743470 [1,1,0,0,0,0|2,0,0]=4 1113 B10R1.25 COc1ccc(cc1O)O 271570a_203496583355_100009816560 [1,1,0,0,0,0|2,0,0]=4 1114 B10R1.25 COc1ccc(cc1O)O 271570a_203496583355_100010084122 [1,1,0,0,0,0|2,0,0]=4 1115 B10R1.25 CSc1ccc(cc1Br)O 62a_100000701344_200000210301 [1,1,0,0,0,0|2,0,0]=4 1116 B10R1.25 CSc1ccc(cc1Br)O 62a_200000210301_100000701344 [1,1,0,0,0,0|2,0,0]=4 1117 B10R1.25 CSc1ccc(cc1C)O 62a_200000210301_100000690111 [1,1,0,0,0,0|2,0,0]=4 1118 B10R1.25 CSc1ccc(cc1Cl)O 271570a_203496583355_206447510565 [1,1,0,0,0,0|2,0,0]=4 1119 B10R1.25 CSc1ccc(cc1Cl)O 62a_100000047559_200000210301 [1,1,0,0,0,0|2,0,0]=4 1120 B10R1.25 CSc1ccc(cc1Cl)O 62a_200000210301_100000047559 [1,1,0,0,0,0|2,0,0]=4 1121 B10R1.25 CSc1ccc(cc1F)O 271570a_203496583355_100010161220 [1,1,0,0,0,0|2,0,0]=4 1122 B10R1.25 CSc1ccc(cc1F)O 62a_100000755031_200000210301 [1,1,0,0,0,0|2,0,0]=4 1123 B10R1.25 CSc1ccc(cc1F)O 62a_200000210301_100000755031 [1,1,0,0,0,0|2,0,0]=4 1124 B10R1.25 CSc1ccc(cc1N)O 62a_100011999798_200000210301 [1,1,0,0,0,0|2,0,0]=4 1125 B10R1.25 CSc1ccc(cc1N)O 62a_200000210301_100011999798 [1,1,0,0,0,0|2,0,0]=4 1126 B10R1.25 CSc1ccc(cc1O)O 62a_200000210301_100009813921 [1,1,0,0,0,0|2,0,0]=4 1127 B10R1.25 Cc1cc(ccc1C#N)O 271570a_203496583355_100000687762 [1,1,0,0,0,0|1,0,1]=4 1128 B10R1.25 Cc1cc(ccc1C=O)O 271570a_203496583355_100000687586 [1,1,0,0,0,0|0,0,0]=2 1129 B10R1.25 Cc1cc(ccc1CF)O 271570a_203496583355_200010711859 [1,1,0,0,0,0|1,0,1]=4 1130 B10R1.25 Cc1cc(ccc1CN)O 271570a_203496583355_100000753881 [1,1,0,0,0,0|1,0,1]=4 1131 B10R1.25 Cc1cc(ccc1CO)O 271570a_203496583355_100000748258 [1,1,0,0,0,0|0,0,1]=3 1132 B10R1.25 Cc1cc(ccc1NN)O 271570a_203496583355_100000751375 [1,1,0,0,0,0|2,0,0]=4 1133 B10R1.25 Cc1cc(ccc1N[13CH3])O 34a_100000756630_200025704644 [1,1,0,0,0,0|2,0,0]=4 1134 B10R1.25 Cc1cc(ccc1S[13CH3])O 62a_200025704644_100000690111 [1,1,0,0,0,0|2,0,0]=4 1135 B10R1.25 Cc1cc(cnc1C=O)O 271570a_203496583355_100010185443 [1,1,0,0,0,0|1,0,0]=3 1136 B10R1.25 Cc1cc(cnc1CO)O 271570a_203496583355_100010116297 [1,1,0,0,0,0|1,0,1]=4 1137 B10R1.25 Cc1cc(ncc1C=O)O 271570a_203496583355_100000085382 [1,1,0,0,0,0|1,0,0]=3 1138 B10R1.25 Cc1cc(ncc1CO)O 271570a_203496583355_100010277336 [1,1,0,0,0,0|1,0,1]=4 1139 B10R1.25 Cc1ccc(c(c1)O)C=O 271570a_203496583355_100000692596 [1,1,0,0,0,0|1,0,0]=3 1140 B10R1.25 Cc1ccc(c(n1)O)C=O 271570a_203496583355_100000085379 [1,1,0,0,0,0|2,0,0]=4 1141 B10R1.25 Cc1nc(ccc1C=O)O 271570a_203496583355_100000050599 [1,1,0,0,0,0|1,0,0]=3 1142 B10R1.25 N#Cc1ccc(cc1Br)O 271570a_203496583355_100012349582 [1,1,0,0,0,0|1,0,1]=4 1143 B10R1.25 N#Cc1ccc(cc1Cl)O 271570a_203496583355_100012349662 [1,1,0,0,0,0|1,0,1]=4 1144 B10R1.25 N#Cc1ccc(cc1F)O 271570a_203496583355_100000037869 [1,1,0,0,0,0|1,0,1]=4 1145 B10R1.25 N#Cc1ccc(cc1N)O 271570a_203496583355_100000699244 [1,1,0,0,0,0|1,0,1]=4 1146 B10R1.25 N#Cc1ccc(cc1O)O 271570a_203496583355_100011934713 [1,1,0,0,0,0|1,0,1]=4 1147 B10R1.25 N#Cc1ccc(cc1O)O 271570a_203496583355_100012184851 [1,1,0,0,0,0|1,0,1]=4 1148 B10R1.25 NCc1ccc(cc1F)O 271570a_203496583355_100000754580 [1,1,0,0,0,0|1,0,1]=4 1149 B10R1.25 NNc1ccc(cc1F)O 271570a_203496583355_100000751572 [1,1,0,0,0,0|2,0,0]=4 1150 B10R1.25 Nc1cc(ccc1C=O)O 271570a_203496583355_100009814810 [1,1,0,0,0,0|0,0,0]=2 1151 B10R1.25 Nc1cc(ccc1CO)O 271570a_203496583355_100000718831 [1,1,0,0,0,0|0,0,1]=3 1152 B10R1.25 Nc1cc(ncc1CO)O 271570a_203496583355_100009830438 [1,1,0,0,0,0|1,0,1]=4 1153 B10R1.25 O=Cc1ccc(cc1Br)O 271570a_203496583355_100010185650 [1,1,0,0,0,0|0,0,0]=2 1154 B10R1.25 O=Cc1ccc(cc1Cl)O 271570a_203496583355_100000727542 [1,1,0,0,0,0|0,0,0]=2 1155 B10R1.25 O=Cc1ccc(cc1F)O 271570a_203496583355_100000211676 [1,1,0,0,0,0|0,0,0]=2 1156 B10R1.25 O=Cc1ccc(cc1O)Br 271570a_203496583355_100010146562 [1,1,0,0,0,0|1,0,0]=3 1157 B10R1.25 O=Cc1ccc(cc1O)F 271570a_203496583355_100000752949 [1,1,0,0,0,0|1,0,0]=3 1158 B10R1.25 O=Cc1ccc(cc1O)O 271570a_203496583355_100011236494 [1,1,0,0,0,0|0,0,0]=2 1159 B10R1.25 O=Cc1ccc(cc1O)O 271570a_203496583355_100011277552 [1,1,0,0,0,0|0,0,0]=2 1160 B10R1.25 O=Cc1ccc(nc1F)O 271570a_203496583355_100010064369 [1,1,0,0,0,0|1,0,0]=3 1161 B10R1.25 O=Cc1ccc(nc1O)F 271570a_203496583355_100009846357 [1,1,0,0,0,0|2,0,0]=4 1162 B10R1.25 O=Cc1cnc(cc1O)F 271570a_203496583355_100009862493 [1,1,0,0,0,0|2,0,0]=4 1163 B10R1.25 O=Cc1ncc(cc1F)O 271570a_203496583355_100010180630 [1,1,0,0,0,0|1,0,0]=3 1164 B10R1.25 OCc1ccc(cc1Br)O 271570a_203496583355_100010240206 [1,1,0,0,0,0|0,0,1]=3 1165 B10R1.25 OCc1ccc(cc1F)O 271570a_203496583355_100011191541 [1,1,0,0,0,0|0,0,1]=3 1166 B10R1.25 OCc1ccc(cc1O)Br 271570a_203496583355_100010146605 [1,1,0,0,0,0|1,0,1]=4 1167 B10R1.25 OCc1ccc(cc1O)Cl 271570a_203496583355_100000722340 [1,1,0,0,0,0|1,0,1]=4 1168 B10R1.25 OCc1ccc(cc1O)F 271570a_203496583355_100000744086 [1,1,0,0,0,0|1,0,1]=4 1169 B10R1.25 OCc1ccc(cc1O)O 271570a_203496583355_100000071718 [1,1,0,0,0,0|0,0,1]=3 1170 B10R1.25 OCc1ccc(cc1O)O 271570a_203496583355_100010146404 [1,1,0,0,0,0|0,0,1]=3 1171 B10R1.25 OCc1ccc(nc1F)O 271570a_203496583355_100009870654 [1,1,0,0,0,0|1,0,1]=4 1172 B10R1.25 OCc1ncc(cc1F)O 271570a_203496583355_100010065252 [1,1,0,0,0,0|1,0,1]=4 1173 B10R1.25 [13CH3]Nc1ccc(cc1Br)O 34a_100012001276_200025704644 [1,1,0,0,0,0|2,0,0]=4 1174 B10R1.25 [13CH3]Nc1ccc(cc1Cl)O 34a_100011215599_200025704644 [1,1,0,0,0,0|2,0,0]=4 1175 B10R1.25 [13CH3]Nc1ccc(cc1F)O 34a_100000759473_200025704644 [1,1,0,0,0,0|2,0,0]=4 1176 B10R1.25 [13CH3]Nc1ccc(cc1I)O 34a_100010084370_200025704644 [1,1,0,0,0,0|2,0,0]=4 1177 B10R1.25 [13CH3]Nc1ccc(cc1O)O 34a_100000106777_200025704644 [1,1,0,0,0,0|2,0,0]=4 1178 B10R1.25 [13CH3]Sc1ccc(cc1Br)O 62a_100000701344_200025704644 [1,1,0,0,0,0|2,0,0]=4 1179 B10R1.25 [13CH3]Sc1ccc(cc1Br)O 62a_200025704644_100000701344 [1,1,0,0,0,0|2,0,0]=4 1180 B10R1.25 [13CH3]Sc1ccc(cc1Cl)O 62a_100000047559_200025704644 [1,1,0,0,0,0|2,0,0]=4 1181 B10R1.25 [13CH3]Sc1ccc(cc1Cl)O 62a_200025704644_100000047559 [1,1,0,0,0,0|2,0,0]=4 1182 B10R1.25 [13CH3]Sc1ccc(cc1F)O 62a_100000755031_200025704644 [1,1,0,0,0,0|2,0,0]=4 1183 B10R1.25 [13CH3]Sc1ccc(cc1F)O 62a_200025704644_100000755031 [1,1,0,0,0,0|2,0,0]=4 1184 B10R1.25 [13CH3]Sc1ccc(cc1N)O 62a_100011999798_200025704644 [1,1,0,0,0,0|2,0,0]=4 1185 B10R1.25 [13CH3]Sc1ccc(cc1N)O 62a_200025704644_100011999798 [1,1,0,0,0,0|2,0,0]=4 1186 B10R1.25 [13CH3]Sc1ccc(cc1O)O 62a_200025704644_100009813921 [1,1,0,0,0,0|2,0,0]=4 1187 B10R1.176 C=Cc1cc(c(cn1)O)C 271570a_100011290941_100000692680 [1,1,0,0,0,0|2,0,0]=4 1188 B10R1.176 C=Cc1cc(c(cn1)O)N 271570a_100011290941_100009819941 [1,1,0,0,0,0|2,0,0]=4 1189 B10R1.176 C=Cc1ccc(c(c1)Br)Br 271570a_100011290941_100012356285 [1,1,0,0,0,0|2,0,0]=4 1190 B10R1.176 C=Cc1ccc(c(c1)Br)C 271570a_100011290941_100011847877 [1,1,0,0,0,0|2,0,0]=4 1191 B10R1.176 C=Cc1ccc(c(c1)Br)Cl 271570a_100011290941_100012353702 [1,1,0,0,0,0|2,0,0]=4 1192 B10R1.176 C=Cc1ccc(c(c1)Br)F 271570a_100011290941_100012047266 [1,1,0,0,0,0|2,0,0]=4 1193 B10R1.176 C=Cc1ccc(c(c1)Br)N 271570a_100011290941_100000750455 [1,1,0,0,0,0|2,0,0]=4 1194 B10R1.176 C=Cc1ccc(c(c1)Br)O 271570a_100011290941_100012361655 [1,1,0,0,0,0|1,0,0]=3 1195 B10R1.176 C=Cc1ccc(c(c1)C)Br 271570a_100011290941_100009813585 [1,1,0,0,0,0|2,0,0]=4 1196 B10R1.176 C=Cc1ccc(c(c1)C)C 271570a_100011290941_100011215607 [1,1,0,0,0,0|2,0,0]=4 1197 B10R1.176 C=Cc1ccc(c(c1)C)Cl 271570a_100011290941_100000049509 [1,1,0,0,0,0|2,0,0]=4 1198 B10R1.176 C=Cc1ccc(c(c1)C)F 271570a_100011290941_100011218330 [1,1,0,0,0,0|2,0,0]=4 1199 B10R1.176 C=Cc1ccc(c(c1)C)N 271570a_100011290941_100000211769 [1,1,0,0,0,0|2,0,0]=4 1200 B10R1.176 C=Cc1ccc(c(c1)C)O 271570a_100011290941_100000186361 [1,1,0,0,0,0|1,0,0]=3 1201 B10R1.176 C=Cc1ccc(c(c1)Cl)Br 271570a_100011290941_100012047281 [1,1,0,0,0,0|2,0,0]=4 1202 B10R1.176 C=Cc1ccc(c(c1)Cl)C 271570a_100011290941_100011216363 [1,1,0,0,0,0|2,0,0]=4 1203 B10R1.176 C=Cc1ccc(c(c1)Cl)Cl 271570a_100011290941_100011214914 [1,1,0,0,0,0|2,0,0]=4 1204 B10R1.176 C=Cc1ccc(c(c1)Cl)F 271570a_100011290941_100011215976 [1,1,0,0,0,0|2,0,0]=4 1205 B10R1.176 C=Cc1ccc(c(c1)Cl)N 271570a_100011290941_100011218065 [1,1,0,0,0,0|2,0,0]=4 1206 B10R1.176 C=Cc1ccc(c(c1)Cl)O 271570a_100011290941_100012360047 [1,1,0,0,0,0|1,0,0]=3 1207 B10R1.176 C=Cc1ccc(c(c1)F)Br 271570a_100011290941_100000685389 [1,1,0,0,0,0|2,0,0]=4 1208 B10R1.176 C=Cc1ccc(c(c1)F)C 271570a_100011290941_100000720648 [1,1,0,0,0,0|2,0,0]=4 1209 B10R1.176 C=Cc1ccc(c(c1)F)Cl 271570a_100011290941_100011216805 [1,1,0,0,0,0|2,0,0]=4 1210 B10R1.176 C=Cc1ccc(c(c1)F)F 271570a_100011290941_100000750028 [1,1,0,0,0,0|2,0,0]=4 1211 B10R1.176 C=Cc1ccc(c(c1)F)N 271570a_100011290941_100011215594 [1,1,0,0,0,0|2,0,0]=4 1212 B10R1.176 C=Cc1ccc(c(c1)F)O 271570a_100011290941_100000185481 [1,1,0,0,0,0|1,0,0]=3 1213 B10R1.176 C=Cc1ccc(c(c1)N)Br 271570a_100011290941_100000750456 [1,1,0,0,0,0|2,0,0]=4 1214 B10R1.176 C=Cc1ccc(c(c1)N)C 271570a_100011290941_100000761890 [1,1,0,0,0,0|2,0,0]=4 1215 B10R1.176 C=Cc1ccc(c(c1)N)Cl 271570a_100011290941_200000761891 [1,1,0,0,0,0|2,0,0]=4 1216 B10R1.176 C=Cc1ccc(c(c1)N)F 271570a_100011290941_100000740924 [1,1,0,0,0,0|2,0,0]=4 1217 B10R1.176 C=Cc1ccc(c(c1)N)N 271570a_100011290941_100000741789 [1,1,0,0,0,0|2,0,0]=4 1218 B10R1.176 C=Cc1ccc(c(c1)N)O 271570a_100011290941_100000752626 [1,1,0,0,0,0|1,0,0]=3 1219 B10R1.176 C=Cc1ccc(c(c1)O)Br 271570a_100011290941_100012356990 [1,1,0,0,0,0|2,0,0]=4 1220 B10R1.176 C=Cc1ccc(c(c1)O)C 271570a_100011290941_100000766334 [1,1,0,0,0,0|2,0,0]=4 1221 B10R1.176 C=Cc1ccc(c(c1)O)Cl 271570a_100011290941_100011356854 [1,1,0,0,0,0|2,0,0]=4 1222 B10R1.176 C=Cc1ccc(c(c1)O)F 271570a_100011290941_100000686035 [1,1,0,0,0,0|2,0,0]=4 1223 B10R1.176 C=Cc1ccc(c(c1)O)N 271570a_100011290941_100000739049 [1,1,0,0,0,0|2,0,0]=4 1224 B10R1.176 C=Cc1ccc(c(c1)O)O 271570a_100011290941_100009813601 [1,1,0,0,0,0|1,0,0]=3 1225 B10R1.176 C=Cc1ccc(c(n1)Br)O 271570a_100011290941_100000725334 [1,1,0,0,0,0|2,0,0]=4 1226 B10R1.176 C=Cc1ccc(c(n1)C)O 271570a_100011290941_100010233687 [1,1,0,0,0,0|2,0,0]=4 1227 B10R1.176 C=Cc1ccc(c(n1)Cl)O 271570a_100011290941_100000721234 [1,1,0,0,0,0|2,0,0]=4 1228 B10R1.176 C=Cc1ccc(c(n1)F)O 271570a_100011290941_100009819667 [1,1,0,0,0,0|2,0,0]=4 1229 B10R1.176 C=Cc1ccc(c(n1)N)O 271570a_100011290941_100000685527 [1,1,0,0,0,0|2,0,0]=4 1230 B10R1.176 C=Cc1cnc(c(c1)C)O 271570a_100011290941_100000685391 [1,1,0,0,0,0|2,0,0]=4 1231 B10R1.176 C=Cc1cnc(c(c1)Cl)O 271570a_100011290941_100010238531 [1,1,0,0,0,0|2,0,0]=4 1232 B10R1.176 C=Cc1cnc(c(c1)N)O 271570a_100011290941_100000743729 [1,1,0,0,0,0|2,0,0]=4 1233 B10R1.176 CCc1ccc(c(c1)Br)O 271570a_203496583355_200009997437 [1,1,0,0,0,0|1,0,1]=4 1234 B10R1.176 CCc1ccc(c(c1)F)O 271570a_203496583355_200010339503 [1,1,0,0,0,0|1,0,1]=4 1235 B10R1.176 CCc1ccc(c(c1)O)O 271570a_203496583355_100012339963 [1,1,0,0,0,0|1,0,1]=4 1236 B10R1.176 CNc1ccc(c(c1)Br)O 34a_100011534360_200000210301 [1,1,0,0,0,0|2,0,0]=4 1237 B10R1.176 CNc1ccc(c(c1)C)O 271570a_203496583355_100102888905 [1,1,0,0,0,0|2,0,0]=4 1238 B10R1.176 CNc1ccc(c(c1)C)O 34a_100011218179_200000210301 [1,1,0,0,0,0|2,0,0]=4 1239 B10R1.176 CNc1ccc(c(c1)C)O 7a_100011218179_200000210301 [1,1,0,0,0,0|2,0,0]=4 1240 B10R1.176 CNc1ccc(c(c1)Cl)O 34a_100000744943_200000210301 [1,1,0,0,0,0|2,0,0]=4 1241 B10R1.176 CNc1ccc(c(c1)F)O 271570a_203496583355_100012285320 [1,1,0,0,0,0|2,0,0]=4 1242 B10R1.176 CNc1ccc(c(c1)F)O 34a_100011220035_200000210301 [1,1,0,0,0,0|2,0,0]=4 1243 B10R1.176 CNc1ccc(c(c1)F)O 7a_100011220035_200000210301 [1,1,0,0,0,0|2,0,0]=4 1244 B10R1.176 CNc1ccc(c(c1)O)O 34a_100102946323_200000210301 [1,1,0,0,0,0|2,0,0]=4 1245 B10R1.176 COc1ccc(c(c1)Br)O 271570a_203496583355_100012349170 [1,1,0,0,0,0|2,0,0]=4 1246 B10R1.176 COc1ccc(c(c1)C)O 271570a_203496583355_100000759875 [1,1,0,0,0,0|2,0,0]=4 1247 B10R1.176 COc1ccc(c(c1)F)O 271570a_203496583355_100000753793 [1,1,0,0,0,0|2,0,0]=4 1248 B10R1.176 COc1ccc(c(c1)N)O 271570a_203496583355_100000748021 [1,1,0,0,0,0|2,0,0]=4 1249 B10R1.176 COc1ccc(c(c1)O)O 271570a_203496583355_100000685887 [1,1,0,0,0,0|2,0,0]=4 1250 B10R1.176 COc1ccc(c(c1)O)O 271570a_203496583355_100000719091 [1,1,0,0,0,0|2,0,0]=4 1251 B10R1.176 CSc1ccc(c(c1)Br)O 62a_100012361655_200000210301 [1,1,0,0,0,0|2,0,0]=4 1252 B10R1.176 CSc1ccc(c(c1)Br)O 62a_200000210301_100012361655 [1,1,0,0,0,0|2,0,0]=4 1253 B10R1.176 CSc1ccc(c(c1)C)O 62a_200000210301_100000186361 [1,1,0,0,0,0|2,0,0]=4 1254 B10R1.176 CSc1ccc(c(c1)Cl)O 62a_100012360047_200000210301 [1,1,0,0,0,0|2,0,0]=4 1255 B10R1.176 CSc1ccc(c(c1)Cl)O 62a_200000210301_100012360047 [1,1,0,0,0,0|2,0,0]=4 1256 B10R1.176 CSc1ccc(c(c1)F)O 271570a_203496583355_100009816902 [1,1,0,0,0,0|2,0,0]=4 1257 B10R1.176 CSc1ccc(c(c1)F)O 62a_100000185481_200000210301 [1,1,0,0,0,0|2,0,0]=4 1258 B10R1.176 CSc1ccc(c(c1)F)O 62a_200000210301_100000185481 [1,1,0,0,0,0|2,0,0]=4 1259 B10R1.176 CSc1ccc(c(c1)N)O 62a_100000752626_200000210301 [1,1,0,0,0,0|2,0,0]=4 1260 B10R1.176 CSc1ccc(c(c1)N)O 62a_200000210301_100000752626 [1,1,0,0,0,0|2,0,0]=4 1261 B10R1.176 CSc1ccc(c(c1)O)O 62a_200000210301_100009813601 [1,1,0,0,0,0|2,0,0]=4 1262 B10R1.176 Cc1cc(ccc1O)C#N 271570a_203496583355_100000212329 [1,1,0,0,0,0|1,0,1]=4 1263 B10R1.176 Cc1cc(ccc1O)C=O 271570a_203496583355_100000765772 [1,1,0,0,0,0|0,0,0]=2 1264 B10R1.176 Cc1cc(ccc1O)CN 271570a_203496583355_100015205234 [1,1,0,0,0,0|1,0,1]=4 1265 B10R1.176 Cc1cc(ccc1O)CO 271570a_203496583355_100000718852 [1,1,0,0,0,0|0,0,1]=3 1266 B10R1.176 Cc1cc(ccc1O)NN 271570a_203496583355_100000745493 [1,1,0,0,0,0|2,0,0]=4 1267 B10R1.176 Cc1cc(ccc1O)N[13CH3] 34a_100011218179_200025704644 [1,1,0,0,0,0|2,0,0]=4 1268 B10R1.176 Cc1cc(ccc1O)N[13CH3] 7a_100011218179_200025704644 [1,1,0,0,0,0|2,0,0]=4 1269 B10R1.176 Cc1cc(ccc1O)S[13CH3] 62a_200025704644_100000186361 [1,1,0,0,0,0|2,0,0]=4 1270 B10R1.176 Cc1cc(cnc1O)C=O 271570a_203496583355_100000070293 [1,1,0,0,0,0|1,0,0]=3 1271 B10R1.176 Cc1cc(cnc1O)CO 271570a_203496583355_200000092119 [1,1,0,0,0,0|1,0,1]=4 1272 B10R1.176 Cc1cc(ncc1O)C=O 271570a_203496583355_100009814806 [1,1,0,0,0,0|1,0,0]=3 1273 B10R1.176 Cc1cc(ncc1O)CO 271570a_203496583355_200010713146 [1,1,0,0,0,0|1,0,1]=4 1274 B10R1.176 Cc1ccc(cc1O)C=O 271570a_203496583355_100000695567 [1,1,0,0,0,0|1,0,0]=3 1275 B10R1.176 Cc1ccc(cc1O)CO 271570a_203496583355_100000050133 [1,1,0,0,0,0|1,0,1]=4 1276 B10R1.176 Cc1cnc(cc1O)C=O 271570a_203496583355_100010174032 [1,1,0,0,0,0|2,0,0]=4 1277 B10R1.176 Cc1nc(ccc1O)C=O 271570a_203496583355_100010238520 [1,1,0,0,0,0|1,0,0]=3 1278 B10R1.176 Cc1nc(ccc1O)CO 271570a_203496583355_100010114280 [1,1,0,0,0,0|1,0,1]=4 1279 B10R1.176 N#Cc1ccc(c(c1)Br)O 271570a_203496583355_100012356348 [1,1,0,0,0,0|1,0,1]=4 1280 B10R1.176 N#Cc1ccc(c(c1)Cl)O 271570a_203496583355_100012349663 [1,1,0,0,0,0|1,0,1]=4 1281 B10R1.176 N#Cc1ccc(c(c1)F)O 271570a_203496583355_100011794375 [1,1,0,0,0,0|1,0,1]=4 1282 B10R1.176 N#Cc1ccc(c(c1)N)O 271570a_203496583355_100012001879 [1,1,0,0,0,0|1,0,1]=4 1283 B10R1.176 N#Cc1ccc(c(c1)O)O 271570a_203496583355_100000724445 [1,1,0,0,0,0|1,0,1]=4 1284 B10R1.176 N#Cc1ccc(c(c1)O)O 271570a_203496583355_100000725478 [1,1,0,0,0,0|1,0,1]=4 1285 B10R1.176 NCc1ccc(c(c1)F)O 271570a_203496583355_100000755036 [1,1,0,0,0,0|1,0,1]=4 1286 B10R1.176 NNc1ccc(c(c1)F)O 271570a_203496583355_100016992936 [1,1,0,0,0,0|2,0,0]=4 1287 B10R1.176 Nc1cc(ccc1O)CO 271570a_203496583355_100012347568 [1,1,0,0,0,0|0,0,1]=3 1288 B10R1.176 Nc1ncc(cc1O)C=O 271570a_203496583355_100010064899 [1,1,0,0,0,0|2,0,0]=4 1289 B10R1.176 O=Cc1ccc(c(c1)F)O 271570a_203496583355_100000686674 [1,1,0,0,0,0|0,0,0]=2 1290 B10R1.176 O=Cc1ccc(c(c1)O)Br 271570a_203496583355_100010146563 [1,1,0,0,0,0|1,0,0]=3 1291 B10R1.176 O=Cc1ccc(c(c1)O)Cl 271570a_203496583355_100010209939 [1,1,0,0,0,0|1,0,0]=3 1292 B10R1.176 O=Cc1ccc(c(c1)O)F 271570a_203496583355_100000211747 [1,1,0,0,0,0|1,0,0]=3 1293 B10R1.176 O=Cc1ccc(c(c1)O)O 271570a_203496583355_100000041418 [1,1,0,0,0,0|0,0,0]=2 1294 B10R1.176 O=Cc1ccc(c(c1)O)O 271570a_203496583355_100000184552 [1,1,0,0,0,0|0,0,0]=2 1295 B10R1.176 O=Cc1cnc(c(c1)F)O 271570a_203496583355_100009866847 [1,1,0,0,0,0|1,0,0]=3 1296 B10R1.176 O=Cc1cnc(c(c1)O)O 271570a_203496583355_100010064886 [1,1,0,0,0,0|1,0,0]=3 1297 B10R1.176 OCc1ccc(c(c1)Cl)O 271570a_203496583355_100000718186 [1,1,0,0,0,0|0,0,1]=3 1298 B10R1.176 OCc1ccc(c(c1)F)O 271570a_203496583355_100011533735 [1,1,0,0,0,0|0,0,1]=3 1299 B10R1.176 OCc1ccc(c(c1)O)F 271570a_203496583355_100000246287 [1,1,0,0,0,0|1,0,1]=4 1300 B10R1.176 OCc1ccc(c(c1)O)O 271570a_203496583355_100000049605 [1,1,0,0,0,0|0,0,1]=3 1301 B10R1.176 OCc1ccc(c(c1)O)O 271570a_203496583355_100011191544 [1,1,0,0,0,0|0,0,1]=3 1302 B10R1.176 OCc1ccc(c(n1)O)O 271570a_203496583355_200000118097 [1,1,0,0,0,0|1,0,1]=4 1303 B10R1.176 OCc1cnc(c(c1)F)O 271570a_203496583355_100010065243 [1,1,0,0,0,0|1,0,1]=4 1304 B10R1.176 [13CH3]Nc1ccc(c(c1)Br)O 34a_100011534360_200025704644 [1,1,0,0,0,0|2,0,0]=4 1305 B10R1.176 [13CH3]Nc1ccc(c(c1)Cl)O 34a_100000744943_200025704644 [1,1,0,0,0,0|2,0,0]=4 1306 B10R1.176 [13CH3]Nc1ccc(c(c1)F)O 34a_100011220035_200025704644 [1,1,0,0,0,0|2,0,0]=4 1307 B10R1.176 [13CH3]Nc1ccc(c(c1)F)O 7a_100011220035_200025704644 [1,1,0,0,0,0|2,0,0]=4 1308 B10R1.176 [13CH3]Nc1ccc(c(c1)O)O 34a_100102946323_200025704644 [1,1,0,0,0,0|2,0,0]=4 1309 B10R1.176 [13CH3]Sc1ccc(c(c1)Br)O 62a_100012361655_200025704644 [1,1,0,0,0,0|2,0,0]=4 1310 B10R1.176 [13CH3]Sc1ccc(c(c1)Br)O 62a_200025704644_100012361655 [1,1,0,0,0,0|2,0,0]=4 1311 B10R1.176 [13CH3]Sc1ccc(c(c1)Cl)O 62a_100012360047_200025704644 [1,1,0,0,0,0|2,0,0]=4 1312 B10R1.176 [13CH3]Sc1ccc(c(c1)Cl)O 62a_200025704644_100012360047 [1,1,0,0,0,0|2,0,0]=4 1313 B10R1.176 [13CH3]Sc1ccc(c(c1)F)O 62a_100000185481_200025704644 [1,1,0,0,0,0|2,0,0]=4 1314 B10R1.176 [13CH3]Sc1ccc(c(c1)F)O 62a_200025704644_100000185481 [1,1,0,0,0,0|2,0,0]=4 1315 B10R1.176 [13CH3]Sc1ccc(c(c1)N)O 62a_100000752626_200025704644 [1,1,0,0,0,0|2,0,0]=4 1316 B10R1.176 [13CH3]Sc1ccc(c(c1)N)O 62a_200025704644_100000752626 [1,1,0,0,0,0|2,0,0]=4 1317 B10R1.176 [13CH3]Sc1ccc(c(c1)O)O 62a_200025704644_100009813601 [1,1,0,0,0,0|2,0,0]=4 1318 B10R1.15 CCC(=O)c1ccccc1 1458a_100000185807_100000210202 [1,1,0,0,0,0|1,0,0]=3 1319 B10R1.15 CNC(=O)c1ccccc1 11a_106832991635_100000185807 [1,1,0,0,0,0|1,0,0]=3 1320 B10R1.15 CNC(=O)c1ccccc1 1626a_100102657272_100000185807 [1,1,0,0,0,0|1,0,0]=3 1321 B10R1.15 CNC(=O)c1ccccc1 240690a_100102657272_100000185807 [1,1,0,0,0,0|1,0,0]=3 1322 B10R1.15 CNC(=O)c1ccccc1 527a_100102657272_100000185807 [1,1,0,0,0,0|1,0,0]=3 1323 B10R1.15 COC(C)c1ccccc1 34a_100138415774_100000211855 [1,1,0,0,0,0|1,0,1]=4 1324 B10R1.15 CO[C@H](C)c1ccccc1 34a_100000761318_200000210301 [1,1,0,0,0,0|1,0,1]=4 1325 B10R1.15 CO[C@H](C)c1ccccc1 7a_100000761318_200000210301 [1,1,0,0,0,0|1,0,1]=4 1326 B10R1.15 C[C@@H](O[13CH3])c1ccccc1 34a_100000761318_200025704644 [1,1,0,0,0,0|1,0,1]=4 1327 B10R1.15 C[C@@H](O[13CH3])c1ccccc1 7a_100000761318_200025704644 [1,1,0,0,0,0|1,0,1]=4 1328 B10R1.15 O=C(CF)c1ccccc1 1458a_100000185807_100015361967 [1,1,0,0,0,0|1,0,0]=3 1329 B10R1.61 C=C(C)c1ccccc1Br 271570a_100000694244_100000695589 [1,1,0,0,0,0|2,0,0]=4 1330 B10R1.61 C=C(C)c1ccccc1C 271570a_100000694244_100000210755 [1,1,0,0,0,0|2,0,0]=4 1331 B10R1.61 C=C(C)c1ccccc1Cl 271570a_100000694244_100000764095 [1,1,0,0,0,0|2,0,0]=4 1332 B10R1.61 C=C(C)c1ccccc1F 271570a_100000694244_100011215700 [1,1,0,0,0,0|2,0,0]=4 1333 B10R1.61 C=C(C)c1ccccc1N 271570a_100000694244_100000210017 [1,1,0,0,0,0|2,0,0]=4 1334 B10R1.61 C=C(C)c1ccccc1O 271570a_100000694244_100000739446 [1,1,0,0,0,0|2,0,0]=4 1335 B10R1.61 CC(=O)c1ccccc1Br 1458a_100000188424_200000210301 [1,1,0,0,0,0|1,0,0]=3 1336 B10R1.61 CC(=O)c1ccccc1C 1458a_100000212026_200000210301 [1,1,0,0,0,0|1,0,0]=3 1337 B10R1.61 CC(=O)c1ccccc1Cl 1458a_100000185844_200000210301 [1,1,0,0,0,0|1,0,0]=3 1338 B10R1.61 CC(=O)c1ccccc1F 1458a_100000188656_200000210301 [1,1,0,0,0,0|1,0,0]=3 1339 B10R1.61 CC(=O)c1ccccc1I 1458a_100000187884_200000210301 [1,1,0,0,0,0|1,0,0]=3 1340 B10R1.61 CC(=O)c1ccccc1O 1458a_100015234032_200000210301 [1,1,0,0,0,0|1,0,0]=3 1341 B10R1.61 CC(=O)c1ccccc1O 271570a_203496583355_100000751169 [1,1,0,0,0,0|1,0,0]=3 1342 B10R1.61 CC(=O)c1ccccc1[O-] 1458a_100009911694_200000210301 [1,1,0,0,0,0|1,0,0]=3 1343 B10R1.61 CC(=O)c1cccnc1O 271570a_203496583355_100000753718 [1,1,0,0,0,0|2,0,0]=4 1344 B10R1.61 CC(=O)c1ccncc1O 271570a_203496583355_100009993184 [1,1,0,0,0,0|2,0,0]=4 1345 B10R1.61 CC(=O)c1cnccc1O 271570a_203496583355_100160469449 [1,1,0,0,0,0|2,0,0]=4 1346 B10R1.61 CC(=O)c1ncccc1O 271570a_203496583355_100012348690 [1,1,0,0,0,0|2,0,0]=4 1347 B10R1.61 CC(O)c1ccccc1O 271570a_203496583355_100000702211 [1,1,0,0,0,0|1,0,1]=4 1348 B10R1.61 CS(=O)c1ccccc1O 271570a_203496583355_100000734199 [1,1,0,0,0,0|2,0,0]=4 1349 B10R1.61 Cc1ccccc1C(=O)[13CH3] 1458a_100000212026_200025704644 [1,1,0,0,0,0|1,0,0]=3 1350 B10R1.61 NC(=O)c1ccccc1O 271570a_203496583355_100000162227 [1,1,0,0,0,0|1,0,0]=3 1351 B10R1.61 NC(=O)c1cccnc1O 271570a_203496583355_100000162199 [1,1,0,0,0,0|2,0,0]=4 1352 B10R1.61 NC(=O)c1ccncc1O 271570a_203496583355_100010205435 [1,1,0,0,0,0|2,0,0]=4 1353 B10R1.61 NC(=O)c1cnccc1O 271570a_203496583355_100000697804 [1,1,0,0,0,0|2,0,0]=4 1354 B10R1.61 NC(=O)c1ncccc1O 271570a_203496583355_200012359670 [1,1,0,0,0,0|2,0,0]=4 1355 B10R1.61 OB(O)c1ccccc1O 271570a_203496583355_100000693059 [1,1,0,0,0,0|1,0,1]=4 1356 B10R1.61 [13CH3]C(=O)c1ccccc1Br 1458a_100000188424_200025704644 [1,1,0,0,0,0|1,0,0]=3 1357 B10R1.61 [13CH3]C(=O)c1ccccc1Cl 1458a_100000185844_200025704644 [1,1,0,0,0,0|1,0,0]=3 1358 B10R1.61 [13CH3]C(=O)c1ccccc1F 1458a_100000188656_200025704644 [1,1,0,0,0,0|1,0,0]=3 1359 B10R1.61 [13CH3]C(=O)c1ccccc1I 1458a_100000187884_200025704644 [1,1,0,0,0,0|1,0,0]=3 1360 B10R1.61 [13CH3]C(=O)c1ccccc1O 1458a_100015234032_200025704644 [1,1,0,0,0,0|1,0,0]=3 1361 B10R1.61 [13CH3]C(=O)c1ccccc1[O-] 1458a_100009911694_200025704644 [1,1,0,0,0,0|1,0,0]=3 1362 B10R1.113 C=C(C)c1cccc(c1)Br 271570a_100000694244_100000691529 [1,1,0,0,0,0|2,0,0]=4 1363 B10R1.113 C=C(C)c1cccc(c1)C 271570a_100000694244_100011215228 [1,1,0,0,0,0|2,0,0]=4 1364 B10R1.113 C=C(C)c1cccc(c1)Cl 271570a_100000694244_100000699651 [1,1,0,0,0,0|2,0,0]=4 1365 B10R1.113 C=C(C)c1cccc(c1)F 271570a_100000694244_100000685547 [1,1,0,0,0,0|2,0,0]=4 1366 B10R1.113 C=C(C)c1cccc(c1)N 271570a_100000694244_100000210019 [1,1,0,0,0,0|2,0,0]=4 1367 B10R1.113 C=C(C)c1cccc(c1)O 271570a_100000694244_100000211634 [1,1,0,0,0,0|2,0,0]=4 1368 B10R1.113 C=C(C)c1cccc(c1)O 271570a_203496583355_100012123953 [1,1,0,0,0,0|2,0,0]=4 1369 B10R1.113 C=C(C)c1cccc(c1)[S] 271570a_100000694244_114929384022 [1,1,0,0,0,0|2,0,0]=4 1370 B10R1.113 CC(=O)c1cc(ccn1)O 271570a_203496583355_100000709912 [1,1,0,0,0,0|2,0,0]=4 1371 B10R1.113 CC(=O)c1cccc(c1)Br 1458a_100000210664_200000210301 [1,1,0,0,0,0|1,0,0]=3 1372 B10R1.113 CC(=O)c1cccc(c1)C 1458a_100000189346_200000210301 [1,1,0,0,0,0|1,0,0]=3 1373 B10R1.113 CC(=O)c1cccc(c1)Cl 1458a_100000210390_200000210301 [1,1,0,0,0,0|1,0,0]=3 1374 B10R1.113 CC(=O)c1cccc(c1)F 1458a_100000210950_200000210301 [1,1,0,0,0,0|1,0,0]=3 1375 B10R1.113 CC(=O)c1cccc(c1)I 1458a_100000184098_200000210301 [1,1,0,0,0,0|1,0,0]=3 1376 B10R1.113 CC(=O)c1cccc(c1)O 1458a_100000183914_200000210301 [1,1,0,0,0,0|1,0,0]=3 1377 B10R1.113 CC(=O)c1cccc(c1)O 271570a_203496583355_100000210093 [1,1,0,0,0,0|1,0,0]=3 1378 B10R1.113 CC(=O)c1cccc(n1)O 271570a_203496583355_100009816502 [1,1,0,0,0,0|2,0,0]=4 1379 B10R1.113 CC(=O)c1ccnc(c1)O 271570a_203496583355_100000685609 [1,1,0,0,0,0|2,0,0]=4 1380 B10R1.113 CC(=O)c1cncc(c1)O 271570a_203496583355_100011216243 [1,1,0,0,0,0|2,0,0]=4 1381 B10R1.113 CC(O)c1cccc(c1)O 271570a_203496583355_100000246457 [1,1,0,0,0,0|1,0,1]=4 1382 B10R1.113 CS(=O)c1cccc(c1)O 271570a_203496583355_100009816267 [1,1,0,0,0,0|2,0,0]=4 1383 B10R1.113 Cc1cccc(c1)C(=O)[13CH3] 1458a_100000189346_200025704644 [1,1,0,0,0,0|1,0,0]=3 1384 B10R1.113 NC(=O)c1cc(ccn1)O 271570a_203496583355_100000229564 [1,1,0,0,0,0|2,0,0]=4 1385 B10R1.113 NC(=O)c1cccc(c1)O 271570a_203496583355_100000162208 [1,1,0,0,0,0|1,0,0]=3 1386 B10R1.113 NC(=O)c1cccc(n1)O 271570a_203496583355_100011834053 [1,1,0,0,0,0|2,0,0]=4 1387 B10R1.113 NC(=O)c1ccnc(c1)O 271570a_203496583355_100000229836 [1,1,0,0,0,0|2,0,0]=4 1388 B10R1.113 NC(=O)c1cncc(c1)O 271570a_203496583355_100000162242 [1,1,0,0,0,0|2,0,0]=4 1389 B10R1.113 OB(O)c1cccc(c1)O 271570a_203496583355_100000687717 [1,1,0,0,0,0|1,0,1]=4 1390 B10R1.113 [13CH3]C(=O)c1cccc(c1)Br 1458a_100000210664_200025704644 [1,1,0,0,0,0|1,0,0]=3 1391 B10R1.113 [13CH3]C(=O)c1cccc(c1)Cl 1458a_100000210390_200025704644 [1,1,0,0,0,0|1,0,0]=3 1392 B10R1.113 [13CH3]C(=O)c1cccc(c1)F 1458a_100000210950_200025704644 [1,1,0,0,0,0|1,0,0]=3 1393 B10R1.113 [13CH3]C(=O)c1cccc(c1)I 1458a_100000184098_200025704644 [1,1,0,0,0,0|1,0,0]=3 1394 B10R1.113 [13CH3]C(=O)c1cccc(c1)O 1458a_100000183914_200025704644 [1,1,0,0,0,0|1,0,0]=3 1395 B10R1.14 CCC(=O)c1ccc(s1)O 271570a_203496583355_200011203577 [0,1,0,0,1,0|2,0,0]=4 1396 B10R1.14 CNC(=O)c1ccc(o1)O 271570a_203496583355_100000159859 [0,1,0,0,1,0|2,0,0]=4 1397 B10R1.14 CNC(=O)c1ccc(s1)O 271570a_203496583355_200000155069 [0,1,0,0,1,0|2,0,0]=4 1398 B10R1.14 COC(=O)c1c[nH]c(c1)O 271570a_203496583355_100009840242 [0,1,0,0,1,0|1,0,0]=3 1399 B10R1.14 COC(=O)c1cc([nH]n1)O 271570a_203496583355_100010760819 [0,1,0,0,1,0|2,0,0]=4 1400 B10R1.14 COC(=O)c1cc(co1)O 271570a_203496583355_100009992624 [0,1,0,0,1,0|1,0,0]=3 1401 B10R1.14 COC(=O)c1cc(cs1)O 271570a_203496583355_100009815473 [0,1,0,0,1,0|1,0,0]=3 1402 B10R1.14 COC(=O)c1ccc([nH]1)O 271570a_203496583355_100000687774 [0,1,0,0,1,0|1,0,0]=3 1403 B10R1.14 COC(=O)c1ccc(o1)O 271570a_203496583355_100000148852 [0,1,0,0,1,0|1,0,0]=3 1404 B10R1.14 COC(=O)c1ccc(s1)O 271570a_203496583355_100000148107 [0,1,0,0,1,0|1,0,0]=3 1405 B10R1.14 COC(=O)c1cnc([nH]1)O 271570a_203496583355_106744473586 [0,1,0,0,1,0|2,0,0]=4 1406 B10R1.14 COC(=O)c1cnc(s1)O 271570a_203496583355_100000738003 [0,1,0,0,1,0|2,0,0]=4 1407 B10R1.14 COC(=O)c1coc(n1)O 271570a_203496583355_100010235569 [0,1,0,0,1,0|2,0,0]=4 1408 B10R1.14 COC(=O)c1csc(c1)O 271570a_203496583355_100000692058 [0,1,0,0,1,0|1,0,0]=3 1409 B10R1.14 COC(=O)c1csc(n1)O 271570a_203496583355_100009816811 [0,1,0,0,1,0|2,0,0]=4 1410 B10R1.14 COC(=O)c1nc(cs1)O 271570a_203496583355_100012360158 [0,1,0,0,1,0|2,0,0]=4 1411 B10R1.14 COC(=O)c1ncc(s1)O 271570a_203496583355_100010191244 [0,1,0,0,1,0|2,0,0]=4 1412 B10R1.14 NNC(=O)c1ccc(o1)O 271570a_203496583355_100000186364 [0,1,0,0,1,0|2,0,0]=4 1413 B10R1.14 NNC(=O)c1ccc(s1)O 271570a_203496583355_100000180196 [0,1,0,0,1,0|2,0,0]=4 1414 B10R1.58 CC(=O)c1cc(c(s1)O)C 271570a_203496583355_100000729792 [0,1,0,0,1,0|2,0,0]=4 1415 B10R1.194 CC(=O)c1c[nH]c(c1C)O 271570a_203496583355_200010235672 [0,1,0,0,1,0|2,0,0]=4 1416 B10R1.194 NC(=O)c1scc(c1N)O 271570a_203496583355_100010220608 [0,1,0,0,1,0|2,0,0]=4 1417 B12R1.4 C#Cc1ccc(cc1)CC(=O)C 1458a_100000070787_100000140223 [0,1,0,0,0,1|2,0,0]=4 1418 B12R1.4 C#Cc1ccc(cc1)CC(=O)C 1458a_200009884166_200000210301 [0,1,0,0,0,1|2,0,0]=4 1419 B12R1.4 C#Cc1ccc(cc1)CC(=O)[13CH3] 1458a_200009884166_200025704644 [0,1,0,0,0,1|2,0,0]=4 1420 B12R1.4 C#Cc1ccc(cc1)NC(=O)C 11a_100011215031_100015343762 [0,1,0,0,0,1|2,0,0]=4 1421 B12R1.4 C#Cc1ccc(cc1)NC(=O)C 1626a_100011215031_100015343762 [0,1,0,0,0,1|2,0,0]=4 1422 B12R1.4 C#Cc1ccc(cc1)NC(=O)C 22a_100011215031_100000070787 [0,1,0,0,0,1|2,0,0]=4 1423 B12R1.4 C#Cc1ccc(cc1)NC(=O)C 527a_100011215031_100103153847 [0,1,0,0,0,1|2,0,0]=4 1424 B12R1.4 C=Cc1ccc(cc1)CC(=O)C 1458a_100000070787_100000034074 [0,1,0,0,0,1|2,0,0]=4 1425 B12R1.4 C=Cc1ccc(cc1)CC(=O)C 271570a_100011290941_100000691760 [0,1,0,0,0,1|2,0,0]=4 1426 B12R1.4 C=Cc1ccc(cc1)CC(=O)N 271570a_100011290941_100000162331 [0,1,0,0,0,1|2,0,0]=4 1427 B12R1.4 C=Cc1ccc(cc1)NC(=O)C 11a_100011218248_100015343762 [0,1,0,0,0,1|2,0,0]=4 1428 B12R1.4 C=Cc1ccc(cc1)NC(=O)C 1626a_100011218248_100015343762 [0,1,0,0,0,1|2,0,0]=4 1429 B12R1.4 C=Cc1ccc(cc1)NC(=O)C 22a_100011218248_100000070787 [0,1,0,0,0,1|2,0,0]=4 1430 B12R1.4 C=Cc1ccc(cc1)NC(=O)C 271570a_100011290941_100000155215 [0,1,0,0,0,1|2,0,0]=4 1431 B12R1.4 C=Cc1ccc(cc1)NC(=O)C 527a_100011218248_100103153847 [0,1,0,0,0,1|2,0,0]=4 1432 B12R1.4 C=Cc1ccc(cc1)NC(=O)N 271570a_100011290941_100000198584 [0,1,0,0,0,1|2,0,0]=4 1433 B12R1.4 C=Cc1ccc(cc1)OC(=O)C 271570a_100011290941_100000002173 [0,1,0,0,0,1|2,0,0]=4 1434 B12R1.4 C=Cc1ccc(cc1)SC(=O)C 271570a_100011290941_200009995050 [0,1,0,0,0,1|2,0,0]=4 1435 B12R1.4 CC(=Cc1ccc(cc1)CO)C 271570a_100102525489_100000690907 [0,1,0,0,0,1|2,0,0]=4 1436 B12R1.4 CC(=O)Cc1ccc(cc1)C#N 1458a_100000070787_100000184898 [0,1,0,0,0,1|2,0,0]=4 1437 B12R1.4 CC(=O)Cc1ccc(cc1)C#N 1458a_100000748677_200000210301 [0,1,0,0,0,1|2,0,0]=4 1438 B12R1.4 CC(=O)Cc1ccc(cc1)C=O 1458a_100000070787_100000075337 [0,1,0,0,0,1|1,0,1]=4 1439 B12R1.4 CC(=O)Cc1ccc(cc1)CO 1458a_100000070787_100000067286 [0,1,0,0,0,1|1,0,0]=3 1440 B12R1.4 CC(=O)Cc1ccc(cc1)CO 1458a_100011356463_200000210301 [0,1,0,0,0,1|1,0,0]=3 1441 B12R1.4 CC(=O)Cc1ccc(cc1)O[13CH3] 34a_100011218180_200025704644 [0,1,0,0,0,1|1,0,0]=3 1442 B12R1.4 CC(=O)Cc1ccc(cc1)O[13CH3] 7a_100011218180_200025704644 [0,1,0,0,0,1|1,0,0]=3 1443 B12R1.4 CC(=O)Cc1ccc(cc1)S[13CH3] 62a_100000691760_200025704644 [0,1,0,0,0,1|1,1,0]=4 1444 B12R1.4 CC(=O)Cc1ccc(cc1)S[13CH3] 62a_200025704644_100000691760 [0,1,0,0,0,1|1,1,0]=4 1445 B12R1.4 CC(=O)Nc1ccc(cc1)C#N 11a_100000185469_100015343762 [0,1,0,0,0,1|2,0,0]=4 1446 B12R1.4 CC(=O)Nc1ccc(cc1)C#N 1626a_100000185469_100015343762 [0,1,0,0,0,1|2,0,0]=4 1447 B12R1.4 CC(=O)Nc1ccc(cc1)CO 22a_100011215238_100000070787 [0,1,0,0,0,1|1,0,0]=3 1448 B12R1.4 CC(=O)Nc1ccc(cc1)N[13CH3] 34a_100000184111_200025704644 [0,1,0,0,0,1|2,0,0]=4 1449 B12R1.4 CC(=O)Nc1ccc(cc1)O[13CH3] 34a_100000184395_200025704644 [0,1,0,0,0,1|1,0,0]=3 1450 B12R1.4 CC(=O)Nc1ccc(cc1)O[13CH3] 7a_100000184395_200025704644 [0,1,0,0,0,1|1,0,0]=3 1451 B12R1.4 CC(=O)Nc1ccc(cc1)S[13CH3] 62a_200025704644_100000155215 [0,1,0,0,0,1|1,1,0]=4 1452 B12R1.4 CC(=O)Nc1ccc(cn1)O[13CH3] 34a_200000094647_200025704644 [0,1,0,0,0,1|2,0,0]=4 1453 B12R1.4 CC(=O)Nc1ccc(cn1)O[13CH3] 7a_200000094647_200025704644 [0,1,0,0,0,1|2,0,0]=4 1454 B12R1.4 CC(=O)Oc1ccc(cc1)S[13CH3] 62a_200025704644_100000002173 [0,1,0,0,0,1|1,1,0]=4 1455 B12R1.4 CC(=O)Sc1ccc(cc1)S[13CH3] 62a_200009995050_200025704644 [0,1,0,0,0,1|1,1,0]=4 1456 B12R1.4 CCc1ccc(cc1)CC(=O)C 1458a_100000070787_100000747183 [0,1,0,0,0,1|2,0,0]=4 1457 B12R1.4 CCc1ccc(cc1)CC(=O)C 1458a_200000759805_200000210301 [0,1,0,0,0,1|2,0,0]=4 1458 B12R1.4 CCc1ccc(cc1)CC(=O)[13CH3] 1458a_200000759805_200025704644 [0,1,0,0,0,1|2,0,0]=4 1459 B12R1.4 CCc1ccc(cc1)NC(=O)C 11a_100000211069_100015343762 [0,1,0,0,0,1|2,0,0]=4 1460 B12R1.4 CCc1ccc(cc1)NC(=O)C 1626a_100000211069_100015343762 [0,1,0,0,0,1|2,0,0]=4 1461 B12R1.4 CCc1ccc(cc1)NC(=O)C 22a_100000211069_100000070787 [0,1,0,0,0,1|2,0,0]=4 1462 B12R1.4 CCc1ccc(cc1)NC(=O)C 527a_100000211069_100103153847 [0,1,0,0,0,1|2,0,0]=4 1463 B12R1.4 CNc1ccc(cc1)CC(=O)N 2230a_100000738315_200000210301 [0,1,0,0,0,1|2,0,0]=4 1464 B12R1.4 CNc1ccc(cc1)CC(=O)N 34a_100000738315_200000210301 [0,1,0,0,0,1|2,0,0]=4 1465 B12R1.4 CNc1ccc(cc1)NC(=O)C 34a_100000184111_200000210301 [0,1,0,0,0,1|2,0,0]=4 1466 B12R1.4 COc1ccc(cc1)C=C(C)C 271570a_100102525489_100000171711 [0,1,0,0,0,1|2,0,0]=4 1467 B12R1.4 COc1ccc(cc1)CC(=O)C 1458a_100000210706_200000210301 [0,1,0,0,0,1|1,0,0]=3 1468 B12R1.4 COc1ccc(cc1)CC(=O)C 34a_100011218180_200000210301 [0,1,0,0,0,1|1,0,0]=3 1469 B12R1.4 COc1ccc(cc1)CC(=O)C 7a_100011218180_200000210301 [0,1,0,0,0,1|1,0,0]=3 1470 B12R1.4 COc1ccc(cc1)CC(=O)N 34a_100000020825_200000210301 [0,1,0,0,0,1|1,0,0]=3 1471 B12R1.4 COc1ccc(cc1)CC(=O)[13CH3] 1458a_100000210706_200025704644 [0,1,0,0,0,1|1,0,0]=3 1472 B12R1.4 COc1ccc(cc1)NC(=O)C 11a_100000184247_100015343762 [0,1,0,0,0,1|1,0,0]=3 1473 B12R1.4 COc1ccc(cc1)NC(=O)C 1626a_100000184247_100015343762 [0,1,0,0,0,1|1,0,0]=3 1474 B12R1.4 COc1ccc(cc1)NC(=O)C 22a_100000184247_100000070787 [0,1,0,0,0,1|1,0,0]=3 1475 B12R1.4 COc1ccc(cc1)NC(=O)C 34a_100000184395_200000210301 [0,1,0,0,0,1|1,0,0]=3 1476 B12R1.4 COc1ccc(cc1)NC(=O)C 527a_100000184247_100103153847 [0,1,0,0,0,1|1,0,0]=3 1477 B12R1.4 COc1ccc(cc1)NC(=O)C 7a_100000184395_200000210301 [0,1,0,0,0,1|1,0,0]=3 1478 B12R1.4 COc1ccc(cn1)CC(=O)C 1458a_100000070787_100020631284 [0,1,0,0,0,1|2,0,0]=4 1479 B12R1.4 COc1ccc(cn1)CC(=O)C 1458a_100012001117_200000210301 [0,1,0,0,0,1|2,0,0]=4 1480 B12R1.4 COc1ccc(cn1)CC(=O)[13CH3] 1458a_100012001117_200025704644 [0,1,0,0,0,1|2,0,0]=4 1481 B12R1.4 COc1ccc(nc1)CC(=O)C 1458a_100000070787_200000757186 [0,1,0,0,0,1|2,0,0]=4 1482 B12R1.4 COc1ccc(nc1)CC(=O)C 1458a_100000722272_200000210301 [0,1,0,0,0,1|2,0,0]=4 1483 B12R1.4 COc1ccc(nc1)CC(=O)[13CH3] 1458a_100000722272_200025704644 [0,1,0,0,0,1|2,0,0]=4 1484 B12R1.4 COc1ccc(nc1)NC(=O)C 34a_200000094647_200000210301 [0,1,0,0,0,1|2,0,0]=4 1485 B12R1.4 COc1ccc(nc1)NC(=O)C 7a_200000094647_200000210301 [0,1,0,0,0,1|2,0,0]=4 1486 B12R1.4 CSc1ccc(cc1)CC(=O)C 1458a_100000070787_100000181263 [0,1,0,0,0,1|1,1,0]=4 1487 B12R1.4 CSc1ccc(cc1)CC(=O)C 1458a_100000756958_200000210301 [0,1,0,0,0,1|1,1,0]=4 1488 B12R1.4 CSc1ccc(cc1)CC(=O)C 62a_100000691760_200000210301 [0,1,0,0,0,1|1,1,0]=4 1489 B12R1.4 CSc1ccc(cc1)CC(=O)C 62a_200000210301_100000691760 [0,1,0,0,0,1|1,1,0]=4 1490 B12R1.4 CSc1ccc(cc1)CC(=O)N 62a_100000162331_200000210301 [0,1,0,0,0,1|1,1,0]=4 1491 B12R1.4 CSc1ccc(cc1)CC(=O)N 62a_200000210301_100000162331 [0,1,0,0,0,1|1,1,0]=4 1492 B12R1.4 CSc1ccc(cc1)CC(=O)[13CH3] 1458a_100000756958_200025704644 [0,1,0,0,0,1|1,1,0]=4 1493 B12R1.4 CSc1ccc(cc1)NC(=O)C 11a_100000212337_100015343762 [0,1,0,0,0,1|1,1,0]=4 1494 B12R1.4 CSc1ccc(cc1)NC(=O)C 22a_100000212337_100000070787 [0,1,0,0,0,1|1,1,0]=4 1495 B12R1.4 CSc1ccc(cc1)NC(=O)C 527a_100000212337_100103153847 [0,1,0,0,0,1|1,1,0]=4 1496 B12R1.4 CSc1ccc(cc1)NC(=O)C 62a_200000210301_100000155215 [0,1,0,0,0,1|1,1,0]=4 1497 B12R1.4 CSc1ccc(cc1)NC(=O)N 62a_200000210301_100000198584 [0,1,0,0,0,1|1,1,0]=4 1498 B12R1.4 CSc1ccc(cc1)OC(=O)C 62a_200000210301_100000002173 [0,1,0,0,0,1|1,1,0]=4 1499 B12R1.4 CSc1ccc(cc1)SC(=O)C 62a_200009995050_200000210301 [0,1,0,0,0,1|1,1,0]=4 1500 B12R1.4 [13CH3]C(=O)Cc1ccc(cc1)C#N 1458a_100000748677_200025704644 [0,1,0,0,0,1|2,0,0]=4 1501 B12R1.4 [13CH3]C(=O)Cc1ccc(cc1)CO 1458a_100011356463_200025704644 [0,1,0,0,0,1|1,0,0]=3 1502 B12R1.4 [13CH3]Nc1ccc(cc1)CC(=O)N 2230a_100000738315_200025704644 [0,1,0,0,0,1|2,0,0]=4 1503 B12R1.4 [13CH3]Nc1ccc(cc1)CC(=O)N 34a_100000738315_200025704644 [0,1,0,0,0,1|2,0,0]=4 1504 B12R1.4 [13CH3]Oc1ccc(cc1)CC(=O)N 34a_100000020825_200025704644 [0,1,0,0,0,1|1,0,0]=3 1505 B12R1.4 [13CH3]Sc1ccc(cc1)CC(=O)N 62a_100000162331_200025704644 [0,1,0,0,0,1|1,1,0]=4 1506 B12R1.4 [13CH3]Sc1ccc(cc1)CC(=O)N 62a_200025704644_100000162331 [0,1,0,0,0,1|1,1,0]=4 1507 B12R1.4 [13CH3]Sc1ccc(cc1)NC(=O)N 62a_200025704644_100000198584 [0,1,0,0,0,1|1,1,0]=4 1508 B12R1.19 CC(=Cc1ccc(c(c1)Br)O)C 271570a_100102525489_100012361655 [0,1,0,0,0,1|2,0,0]=4 1509 B12R1.19 CC(=Cc1ccc(c(c1)C)O)C 271570a_100102525489_100000186361 [0,1,0,0,0,1|2,0,0]=4 1510 B12R1.19 CC(=Cc1ccc(c(c1)Cl)O)C 271570a_100102525489_100012360047 [0,1,0,0,0,1|2,0,0]=4 1511 B12R1.19 CC(=Cc1ccc(c(c1)F)O)C 271570a_100102525489_100000185481 [0,1,0,0,0,1|2,0,0]=4 1512 B12R1.19 CC(=Cc1ccc(c(c1)N)O)C 271570a_100102525489_100000752626 [0,1,0,0,0,1|2,0,0]=4 1513 B12R1.19 CC(=Cc1ccc(c(c1)O)O)C 271570a_100102525489_100009813601 [0,1,0,0,0,1|2,0,0]=4 1514 B12R1.19 CC(=O)Cc1cc(=O)c(co1)O 1458a_100000070787_100000010605 [0,1,0,0,0,1|2,0,0]=4 1515 B12R1.19 CC(=O)Cc1ccc(c(c1)Br)Br 1458a_100000070787_100012353900 [0,1,0,0,0,1|2,0,0]=4 1516 B12R1.19 CC(=O)Cc1ccc(c(c1)Br)C 1458a_100000070787_100012232412 [0,1,0,0,0,1|2,0,0]=4 1517 B12R1.19 CC(=O)Cc1ccc(c(c1)Br)C 1458a_100000709925_200000210301 [0,1,0,0,0,1|2,0,0]=4 1518 B12R1.19 CC(=O)Cc1ccc(c(c1)Br)Cl 1458a_100000070787_100012353894 [0,1,0,0,0,1|2,0,0]=4 1519 B12R1.19 CC(=O)Cc1ccc(c(c1)Br)Cl 1458a_100012349508_200000210301 [0,1,0,0,0,1|2,0,0]=4 1520 B12R1.19 CC(=O)Cc1ccc(c(c1)Br)F 1458a_100000070787_100011206884 [0,1,0,0,0,1|2,0,0]=4 1521 B12R1.19 CC(=O)Cc1ccc(c(c1)Br)F 1458a_100000742997_200000210301 [0,1,0,0,0,1|2,0,0]=4 1522 B12R1.19 CC(=O)Cc1ccc(c(c1)Br)O 1458a_100009990404_200000210301 [0,1,0,0,0,1|1,0,0]=3 1523 B12R1.19 CC(=O)Cc1ccc(c(c1)C)Br 1458a_100000070787_100000727479 [0,1,0,0,0,1|2,0,0]=4 1524 B12R1.19 CC(=O)Cc1ccc(c(c1)C)Br 1458a_100012340274_200000210301 [0,1,0,0,0,1|2,0,0]=4 1525 B12R1.19 CC(=O)Cc1ccc(c(c1)C)C 1458a_100000070787_100000742320 [0,1,0,0,0,1|2,0,0]=4 1526 B12R1.19 CC(=O)Cc1ccc(c(c1)C)C 1458a_100000184070_200000210301 [0,1,0,0,0,1|2,0,0]=4 1527 B12R1.19 CC(=O)Cc1ccc(c(c1)C)Cl 1458a_100000070787_100012184735 [0,1,0,0,0,1|2,0,0]=4 1528 B12R1.19 CC(=O)Cc1ccc(c(c1)C)F 1458a_100000070787_100011216667 [0,1,0,0,0,1|2,0,0]=4 1529 B12R1.19 CC(=O)Cc1ccc(c(c1)C)F 1458a_100011667458_200000210301 [0,1,0,0,0,1|2,0,0]=4 1530 B12R1.19 CC(=O)Cc1ccc(c(c1)C)O 1458a_100000083968_200000210301 [0,1,0,0,0,1|1,0,0]=3 1531 B12R1.19 CC(=O)Cc1ccc(c(c1)Cl)Br 1458a_100000070787_100012353895 [0,1,0,0,0,1|2,0,0]=4 1532 B12R1.19 CC(=O)Cc1ccc(c(c1)Cl)Br 1458a_100000766880_200000210301 [0,1,0,0,0,1|2,0,0]=4 1533 B12R1.19 CC(=O)Cc1ccc(c(c1)Cl)C 1458a_100000070787_100011823929 [0,1,0,0,0,1|2,0,0]=4 1534 B12R1.19 CC(=O)Cc1ccc(c(c1)Cl)Cl 1458a_100000070787_100000184707 [0,1,0,0,0,1|2,0,0]=4 1535 B12R1.19 CC(=O)Cc1ccc(c(c1)Cl)Cl 1458a_100000210702_200000210301 [0,1,0,0,0,1|2,0,0]=4 1536 B12R1.19 CC(=O)Cc1ccc(c(c1)Cl)F 1458a_100000070787_100000717365 [0,1,0,0,0,1|2,0,0]=4 1537 B12R1.19 CC(=O)Cc1ccc(c(c1)Cl)F 1458a_100011217296_200000210301 [0,1,0,0,0,1|2,0,0]=4 1538 B12R1.19 CC(=O)Cc1ccc(c(c1)Cl)I 1458a_100000070787_100012349665 [0,1,0,0,0,1|2,0,0]=4 1539 B12R1.19 CC(=O)Cc1ccc(c(c1)Cl)O 1458a_100000035197_200000210301 [0,1,0,0,0,1|1,0,0]=3 1540 B12R1.19 CC(=O)Cc1ccc(c(c1)F)Br 1458a_100000070787_100000767054 [0,1,0,0,0,1|2,0,0]=4 1541 B12R1.19 CC(=O)Cc1ccc(c(c1)F)Br 1458a_100000691132_200000210301 [0,1,0,0,0,1|2,0,0]=4 1542 B12R1.19 CC(=O)Cc1ccc(c(c1)F)C 1458a_100000070787_100011217369 [0,1,0,0,0,1|2,0,0]=4 1543 B12R1.19 CC(=O)Cc1ccc(c(c1)F)C 1458a_100011217375_200000210301 [0,1,0,0,0,1|2,0,0]=4 1544 B12R1.19 CC(=O)Cc1ccc(c(c1)F)Cl 1458a_100000070787_100000716492 [0,1,0,0,0,1|2,0,0]=4 1545 B12R1.19 CC(=O)Cc1ccc(c(c1)F)Cl 1458a_100000722404_200000210301 [0,1,0,0,0,1|2,0,0]=4 1546 B12R1.19 CC(=O)Cc1ccc(c(c1)F)F 1458a_100000070787_100000757363 [0,1,0,0,0,1|2,0,0]=4 1547 B12R1.19 CC(=O)Cc1ccc(c(c1)F)F 1458a_100000684721_200000210301 [0,1,0,0,0,1|2,0,0]=4 1548 B12R1.19 CC(=O)Cc1ccc(c(c1)F)I 1458a_100000070787_100010149604 [0,1,0,0,0,1|2,0,0]=4 1549 B12R1.19 CC(=O)Cc1ccc(c(c1)F)I 1458a_100010149632_200000210301 [0,1,0,0,0,1|2,0,0]=4 1550 B12R1.19 CC(=O)Cc1ccc(c(c1)F)O 1458a_100000039761_200000210301 [0,1,0,0,0,1|1,0,0]=3 1551 B12R1.19 CC(=O)Cc1ccc(c(c1)I)Br 1458a_100000070787_100010146616 [0,1,0,0,0,1|2,0,0]=4 1552 B12R1.19 CC(=O)Cc1ccc(c(c1)I)C 1458a_100000070787_100010206137 [0,1,0,0,0,1|2,0,0]=4 1553 B12R1.19 CC(=O)Cc1ccc(c(c1)I)F 1458a_100000070787_100010188208 [0,1,0,0,0,1|2,0,0]=4 1554 B12R1.19 CC(=O)Cc1ccc(c(c1)O)C 1458a_100000082272_200000210301 [0,1,0,0,0,1|2,0,0]=4 1555 B12R1.19 CC(=O)Cc1ccc(c(c1)O)O 1458a_100000031429_200000210301 [0,1,0,0,0,1|1,0,0]=3 1556 B12R1.19 CC(=O)Cc1ccc(c(c1)O)O 271570a_203496583355_100010141077 [0,1,0,0,0,1|1,0,0]=3 1557 B12R1.19 CC(=O)Nc1cc(c(cn1)O)C 271570a_203496583355_100011934553 [0,1,0,0,0,1|2,0,0]=4 1558 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)Br 11a_100011306057_100015343762 [0,1,0,0,0,1|2,0,0]=4 1559 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)Br 1626a_100011306057_100015343762 [0,1,0,0,0,1|2,0,0]=4 1560 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)Br 22a_100011306057_100000070787 [0,1,0,0,0,1|2,0,0]=4 1561 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)Br 527a_100011306057_100103153847 [0,1,0,0,0,1|2,0,0]=4 1562 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)C 11a_100000736455_100015343762 [0,1,0,0,0,1|2,0,0]=4 1563 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)C 1626a_100000736455_100015343762 [0,1,0,0,0,1|2,0,0]=4 1564 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)C 22a_100000736455_100000070787 [0,1,0,0,0,1|2,0,0]=4 1565 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)C 527a_100000736455_100103153847 [0,1,0,0,0,1|2,0,0]=4 1566 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)Cl 11a_100000686031_100015343762 [0,1,0,0,0,1|2,0,0]=4 1567 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)Cl 1626a_100000686031_100015343762 [0,1,0,0,0,1|2,0,0]=4 1568 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)Cl 22a_100000686031_100000070787 [0,1,0,0,0,1|2,0,0]=4 1569 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)Cl 527a_100000686031_100103153847 [0,1,0,0,0,1|2,0,0]=4 1570 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)F 11a_100000760356_100015343762 [0,1,0,0,0,1|2,0,0]=4 1571 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)F 1626a_100000760356_100015343762 [0,1,0,0,0,1|2,0,0]=4 1572 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)F 22a_100000760356_100000070787 [0,1,0,0,0,1|2,0,0]=4 1573 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)F 527a_100000760356_100103153847 [0,1,0,0,0,1|2,0,0]=4 1574 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)I 11a_100000750458_100015343762 [0,1,0,0,0,1|2,0,0]=4 1575 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)I 1626a_100000750458_100015343762 [0,1,0,0,0,1|2,0,0]=4 1576 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)I 22a_100000750458_100000070787 [0,1,0,0,0,1|2,0,0]=4 1577 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)I 527a_100000750458_100103153847 [0,1,0,0,0,1|2,0,0]=4 1578 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)O 22a_100011534360_100000070787 [0,1,0,0,0,1|1,0,0]=3 1579 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)O 527a_100011534360_100103153847 [0,1,0,0,0,1|1,0,0]=3 1580 B12R1.19 CC(=O)Nc1ccc(c(c1)C)Br 11a_100000210723_100015343762 [0,1,0,0,0,1|2,0,0]=4 1581 B12R1.19 CC(=O)Nc1ccc(c(c1)C)Br 1626a_100000210723_100015343762 [0,1,0,0,0,1|2,0,0]=4 1582 B12R1.19 CC(=O)Nc1ccc(c(c1)C)Br 22a_100000210723_100000070787 [0,1,0,0,0,1|2,0,0]=4 1583 B12R1.19 CC(=O)Nc1ccc(c(c1)C)Br 527a_100000210723_100103153847 [0,1,0,0,0,1|2,0,0]=4 1584 B12R1.19 CC(=O)Nc1ccc(c(c1)C)C 11a_100000724040_100015343762 [0,1,0,0,0,1|2,0,0]=4 1585 B12R1.19 CC(=O)Nc1ccc(c(c1)C)C 1626a_100000724040_100015343762 [0,1,0,0,0,1|2,0,0]=4 1586 B12R1.19 CC(=O)Nc1ccc(c(c1)C)C 22a_100000724040_100000070787 [0,1,0,0,0,1|2,0,0]=4 1587 B12R1.19 CC(=O)Nc1ccc(c(c1)C)C 527a_100000724040_100103153847 [0,1,0,0,0,1|2,0,0]=4 1588 B12R1.19 CC(=O)Nc1ccc(c(c1)C)Cl 11a_100000187808_100015343762 [0,1,0,0,0,1|2,0,0]=4 1589 B12R1.19 CC(=O)Nc1ccc(c(c1)C)Cl 1626a_100000187808_100015343762 [0,1,0,0,0,1|2,0,0]=4 1590 B12R1.19 CC(=O)Nc1ccc(c(c1)C)Cl 22a_100000187808_100000070787 [0,1,0,0,0,1|2,0,0]=4 1591 B12R1.19 CC(=O)Nc1ccc(c(c1)C)Cl 527a_100000187808_100103153847 [0,1,0,0,0,1|2,0,0]=4 1592 B12R1.19 CC(=O)Nc1ccc(c(c1)C)F 11a_100000750164_100015343762 [0,1,0,0,0,1|2,0,0]=4 1593 B12R1.19 CC(=O)Nc1ccc(c(c1)C)F 1626a_100000750164_100015343762 [0,1,0,0,0,1|2,0,0]=4 1594 B12R1.19 CC(=O)Nc1ccc(c(c1)C)F 22a_100000750164_100000070787 [0,1,0,0,0,1|2,0,0]=4 1595 B12R1.19 CC(=O)Nc1ccc(c(c1)C)F 527a_100000750164_100103153847 [0,1,0,0,0,1|2,0,0]=4 1596 B12R1.19 CC(=O)Nc1ccc(c(c1)C)I 11a_100000198070_100015343762 [0,1,0,0,0,1|2,0,0]=4 1597 B12R1.19 CC(=O)Nc1ccc(c(c1)C)I 1626a_100000198070_100015343762 [0,1,0,0,0,1|2,0,0]=4 1598 B12R1.19 CC(=O)Nc1ccc(c(c1)C)I 22a_100000198070_100000070787 [0,1,0,0,0,1|2,0,0]=4 1599 B12R1.19 CC(=O)Nc1ccc(c(c1)C)I 527a_100000198070_100103153847 [0,1,0,0,0,1|2,0,0]=4 1600 B12R1.19 CC(=O)Nc1ccc(c(c1)C)O 11a_100011218179_100015343762 [0,1,0,0,0,1|1,0,0]=3 1601 B12R1.19 CC(=O)Nc1ccc(c(c1)C)O 22a_100011218179_100000070787 [0,1,0,0,0,1|1,0,0]=3 1602 B12R1.19 CC(=O)Nc1ccc(c(c1)C)O 271570a_203496583355_100000155607 [0,1,0,0,0,1|1,0,0]=3 1603 B12R1.19 CC(=O)Nc1ccc(c(c1)C)O 527a_100011218179_100103153847 [0,1,0,0,0,1|1,0,0]=3 1604 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)Br 11a_100000687081_100015343762 [0,1,0,0,0,1|2,0,0]=4 1605 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)Br 1626a_100000687081_100015343762 [0,1,0,0,0,1|2,0,0]=4 1606 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)Br 22a_100000687081_100000070787 [0,1,0,0,0,1|2,0,0]=4 1607 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)Br 527a_100000687081_100103153847 [0,1,0,0,0,1|2,0,0]=4 1608 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)C 11a_100000188892_100015343762 [0,1,0,0,0,1|2,0,0]=4 1609 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)C 1626a_100000188892_100015343762 [0,1,0,0,0,1|2,0,0]=4 1610 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)C 22a_100000188892_100000070787 [0,1,0,0,0,1|2,0,0]=4 1611 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)C 527a_100000188892_100103153847 [0,1,0,0,0,1|2,0,0]=4 1612 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)Cl 11a_100000184108_100015343762 [0,1,0,0,0,1|2,0,0]=4 1613 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)Cl 1626a_100000184108_100015343762 [0,1,0,0,0,1|2,0,0]=4 1614 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)Cl 22a_100000184108_100000070787 [0,1,0,0,0,1|2,0,0]=4 1615 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)Cl 527a_100000184108_100103153847 [0,1,0,0,0,1|2,0,0]=4 1616 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)F 11a_100000211060_100015343762 [0,1,0,0,0,1|2,0,0]=4 1617 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)F 1626a_100000211060_100015343762 [0,1,0,0,0,1|2,0,0]=4 1618 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)F 22a_100000211060_100000070787 [0,1,0,0,0,1|2,0,0]=4 1619 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)F 527a_100000211060_100103153847 [0,1,0,0,0,1|2,0,0]=4 1620 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)I 11a_100000761885_100015343762 [0,1,0,0,0,1|2,0,0]=4 1621 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)I 1626a_100000761885_100015343762 [0,1,0,0,0,1|2,0,0]=4 1622 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)I 22a_100000761885_100000070787 [0,1,0,0,0,1|2,0,0]=4 1623 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)O 22a_100000744943_100000070787 [0,1,0,0,0,1|1,0,0]=3 1624 B12R1.19 CC(=O)Nc1ccc(c(c1)F)Br 11a_100000759894_100015343762 [0,1,0,0,0,1|2,0,0]=4 1625 B12R1.19 CC(=O)Nc1ccc(c(c1)F)Br 1626a_100000759894_100015343762 [0,1,0,0,0,1|2,0,0]=4 1626 B12R1.19 CC(=O)Nc1ccc(c(c1)F)Br 22a_100000759894_100000070787 [0,1,0,0,0,1|2,0,0]=4 1627 B12R1.19 CC(=O)Nc1ccc(c(c1)F)Br 527a_100000759894_100103153847 [0,1,0,0,0,1|2,0,0]=4 1628 B12R1.19 CC(=O)Nc1ccc(c(c1)F)C 11a_100000210958_100015343762 [0,1,0,0,0,1|2,0,0]=4 1629 B12R1.19 CC(=O)Nc1ccc(c(c1)F)C 1626a_100000210958_100015343762 [0,1,0,0,0,1|2,0,0]=4 1630 B12R1.19 CC(=O)Nc1ccc(c(c1)F)C 22a_100000210958_100000070787 [0,1,0,0,0,1|2,0,0]=4 1631 B12R1.19 CC(=O)Nc1ccc(c(c1)F)C 527a_100000210958_100103153847 [0,1,0,0,0,1|2,0,0]=4 1632 B12R1.19 CC(=O)Nc1ccc(c(c1)F)Cl 11a_100000739366_100015343762 [0,1,0,0,0,1|2,0,0]=4 1633 B12R1.19 CC(=O)Nc1ccc(c(c1)F)Cl 1626a_100000739366_100015343762 [0,1,0,0,0,1|2,0,0]=4 1634 B12R1.19 CC(=O)Nc1ccc(c(c1)F)Cl 22a_100000739366_100000070787 [0,1,0,0,0,1|2,0,0]=4 1635 B12R1.19 CC(=O)Nc1ccc(c(c1)F)F 11a_100000210724_100015343762 [0,1,0,0,0,1|2,0,0]=4 1636 B12R1.19 CC(=O)Nc1ccc(c(c1)F)F 1626a_100000210724_100015343762 [0,1,0,0,0,1|2,0,0]=4 1637 B12R1.19 CC(=O)Nc1ccc(c(c1)F)F 22a_100000210724_100000070787 [0,1,0,0,0,1|2,0,0]=4 1638 B12R1.19 CC(=O)Nc1ccc(c(c1)F)I 11a_100011356925_100015343762 [0,1,0,0,0,1|2,0,0]=4 1639 B12R1.19 CC(=O)Nc1ccc(c(c1)F)I 1626a_100011356925_100015343762 [0,1,0,0,0,1|2,0,0]=4 1640 B12R1.19 CC(=O)Nc1ccc(c(c1)F)I 22a_100011356925_100000070787 [0,1,0,0,0,1|2,0,0]=4 1641 B12R1.19 CC(=O)Nc1ccc(c(c1)F)O 22a_100011220035_100000070787 [0,1,0,0,0,1|1,0,0]=3 1642 B12R1.19 CC(=O)Nc1ccc(c(c1)F)O 271570a_203496583355_100011219590 [0,1,0,0,0,1|1,0,0]=3 1643 B12R1.19 CC(=O)Nc1ccc(c(c1)F)O 527a_100011220035_100103153847 [0,1,0,0,0,1|1,0,0]=3 1644 B12R1.19 CC(=O)Nc1ccc(c(c1)I)Br 11a_100000750459_100015343762 [0,1,0,0,0,1|2,0,0]=4 1645 B12R1.19 CC(=O)Nc1ccc(c(c1)I)Br 1626a_100000750459_100015343762 [0,1,0,0,0,1|2,0,0]=4 1646 B12R1.19 CC(=O)Nc1ccc(c(c1)I)Br 22a_100000750459_100000070787 [0,1,0,0,0,1|2,0,0]=4 1647 B12R1.19 CC(=O)Nc1ccc(c(c1)I)Br 527a_100000750459_100103153847 [0,1,0,0,0,1|2,0,0]=4 1648 B12R1.19 CC(=O)Nc1ccc(c(c1)I)C 11a_100000184131_100015343762 [0,1,0,0,0,1|2,0,0]=4 1649 B12R1.19 CC(=O)Nc1ccc(c(c1)I)C 1626a_100000184131_100015343762 [0,1,0,0,0,1|2,0,0]=4 1650 B12R1.19 CC(=O)Nc1ccc(c(c1)I)C 22a_100000184131_100000070787 [0,1,0,0,0,1|2,0,0]=4 1651 B12R1.19 CC(=O)Nc1ccc(c(c1)I)C 527a_100000184131_100103153847 [0,1,0,0,0,1|2,0,0]=4 1652 B12R1.19 CC(=O)Nc1ccc(c(c1)I)Cl 11a_100012360549_100015343762 [0,1,0,0,0,1|2,0,0]=4 1653 B12R1.19 CC(=O)Nc1ccc(c(c1)I)Cl 1626a_100012360549_100015343762 [0,1,0,0,0,1|2,0,0]=4 1654 B12R1.19 CC(=O)Nc1ccc(c(c1)I)Cl 22a_100012360549_100000070787 [0,1,0,0,0,1|2,0,0]=4 1655 B12R1.19 CC(=O)Nc1ccc(c(c1)I)Cl 527a_100012360549_100103153847 [0,1,0,0,0,1|2,0,0]=4 1656 B12R1.19 CC(=O)Nc1ccc(c(c1)I)F 11a_114828291077_100015343762 [0,1,0,0,0,1|2,0,0]=4 1657 B12R1.19 CC(=O)Nc1ccc(c(c1)I)F 1626a_114828291077_100015343762 [0,1,0,0,0,1|2,0,0]=4 1658 B12R1.19 CC(=O)Nc1ccc(c(c1)I)F 22a_114828291077_100000070787 [0,1,0,0,0,1|2,0,0]=4 1659 B12R1.19 CC(=O)Nc1ccc(c(c1)I)F 527a_114828291077_100103153847 [0,1,0,0,0,1|2,0,0]=4 1660 B12R1.19 CC(=O)Nc1ccc(c(c1)O)C 11a_100000759471_100015343762 [0,1,0,0,0,1|2,0,0]=4 1661 B12R1.19 CC(=O)Nc1ccc(c(c1)O)C 22a_100000759471_100000070787 [0,1,0,0,0,1|2,0,0]=4 1662 B12R1.19 CC(=O)Nc1ccc(c(c1)O)C 271570a_203496583355_100011221169 [0,1,0,0,0,1|2,0,0]=4 1663 B12R1.19 CC(=O)Nc1ccc(c(c1)O)C 527a_100000759471_100103153847 [0,1,0,0,0,1|2,0,0]=4 1664 B12R1.19 CC(=O)Nc1ccc(c(c1)O)Cl 22a_100011934209_100000070787 [0,1,0,0,0,1|2,0,0]=4 1665 B12R1.19 CC(=O)Nc1ccc(c(c1)O)F 22a_100012017398_100000070787 [0,1,0,0,0,1|2,0,0]=4 1666 B12R1.19 CC(=O)Nc1ccc(c(c1)O)F 271570a_203496583355_100012348134 [0,1,0,0,0,1|2,0,0]=4 1667 B12R1.19 CC(=O)Nc1ccc(c(c1)O)F 527a_100012017398_100103153847 [0,1,0,0,0,1|2,0,0]=4 1668 B12R1.19 CC(=O)Nc1ccc(c(c1)O)O 22a_100102946323_100000070787 [0,1,0,0,0,1|1,0,0]=3 1669 B12R1.19 CC(=O)Nc1ccc(c(c1)O)O 527a_100102946323_100103153847 [0,1,0,0,0,1|1,0,0]=3 1670 B12R1.19 CC(=O)Nc1ccc(c(n1)C)O 271570a_203496583355_100000187074 [0,1,0,0,0,1|2,0,0]=4 1671 B12R1.19 CC(=O)Nc1ccc(c(n1)F)O 271570a_203496583355_100000050017 [0,1,0,0,0,1|2,0,0]=4 1672 B12R1.19 CC(=O)Oc1ccc(c(c1)O)C 271570a_203496583355_200025702335 [0,1,0,0,0,1|2,0,0]=4 1673 B12R1.19 Cc1cc(ccc1Br)CC(=O)[13CH3] 1458a_100012340274_200025704644 [0,1,0,0,0,1|2,0,0]=4 1674 B12R1.19 Cc1cc(ccc1F)CC(=O)[13CH3] 1458a_100011667458_200025704644 [0,1,0,0,0,1|2,0,0]=4 1675 B12R1.19 Cc1cc(ccc1O)CC(=O)[13CH3] 1458a_100000083968_200025704644 [0,1,0,0,0,1|1,0,0]=3 1676 B12R1.19 Cc1cc(ccc1O)NC(=O)N 271570a_203496583355_100000238934 [0,1,0,0,0,1|1,0,0]=3 1677 B12R1.19 Cc1ccc(cc1Br)CC(=O)[13CH3] 1458a_100000709925_200025704644 [0,1,0,0,0,1|2,0,0]=4 1678 B12R1.19 Cc1ccc(cc1C)CC(=O)[13CH3] 1458a_100000184070_200025704644 [0,1,0,0,0,1|2,0,0]=4 1679 B12R1.19 Cc1ccc(cc1F)CC(=O)[13CH3] 1458a_100011217375_200025704644 [0,1,0,0,0,1|2,0,0]=4 1680 B12R1.19 Cc1ccc(cc1O)CC(=O)[13CH3] 1458a_100000082272_200025704644 [0,1,0,0,0,1|2,0,0]=4 1681 B12R1.19 [13CH3]C(=O)Cc1ccc(c(c1)Br)Cl 1458a_100012349508_200025704644 [0,1,0,0,0,1|2,0,0]=4 1682 B12R1.19 [13CH3]C(=O)Cc1ccc(c(c1)Br)F 1458a_100000742997_200025704644 [0,1,0,0,0,1|2,0,0]=4 1683 B12R1.19 [13CH3]C(=O)Cc1ccc(c(c1)Br)O 1458a_100009990404_200025704644 [0,1,0,0,0,1|1,0,0]=3 1684 B12R1.19 [13CH3]C(=O)Cc1ccc(c(c1)Cl)Br 1458a_100000766880_200025704644 [0,1,0,0,0,1|2,0,0]=4 1685 B12R1.19 [13CH3]C(=O)Cc1ccc(c(c1)Cl)Cl 1458a_100000210702_200025704644 [0,1,0,0,0,1|2,0,0]=4 1686 B12R1.19 [13CH3]C(=O)Cc1ccc(c(c1)Cl)F 1458a_100011217296_200025704644 [0,1,0,0,0,1|2,0,0]=4 1687 B12R1.19 [13CH3]C(=O)Cc1ccc(c(c1)Cl)O 1458a_100000035197_200025704644 [0,1,0,0,0,1|1,0,0]=3 1688 B12R1.19 [13CH3]C(=O)Cc1ccc(c(c1)F)Br 1458a_100000691132_200025704644 [0,1,0,0,0,1|2,0,0]=4 1689 B12R1.19 [13CH3]C(=O)Cc1ccc(c(c1)F)Cl 1458a_100000722404_200025704644 [0,1,0,0,0,1|2,0,0]=4 1690 B12R1.19 [13CH3]C(=O)Cc1ccc(c(c1)F)F 1458a_100000684721_200025704644 [0,1,0,0,0,1|2,0,0]=4 1691 B12R1.19 [13CH3]C(=O)Cc1ccc(c(c1)F)I 1458a_100010149632_200025704644 [0,1,0,0,0,1|2,0,0]=4 1692 B12R1.19 [13CH3]C(=O)Cc1ccc(c(c1)F)O 1458a_100000039761_200025704644 [0,1,0,0,0,1|1,0,0]=3 1693 B12R1.19 [13CH3]C(=O)Cc1ccc(c(c1)O)O 1458a_100000031429_200025704644 [0,1,0,0,0,1|1,0,0]=3 1694 B12R1.20 CC(=C(C)c1ccc(cc1)O)C 271570a_200000049429_100000185759 [0,1,0,0,0,1|2,0,0]=4 1695 B12R1.20 CC(=O)C(C)c1ccc(cc1)Br 1458a_100000070787_100000755118 [0,1,0,0,0,1|2,0,0]=4 1696 B12R1.20 CC(=O)C(C)c1ccc(cc1)C 1458a_100000070787_100011261388 [0,1,0,0,0,1|2,0,0]=4 1697 B12R1.20 CC(=O)C(C)c1ccc(cc1)C 1458a_100000751627_200000210301 [0,1,0,0,0,1|2,0,0]=4 1698 B12R1.20 CC(=O)C(C)c1ccc(cc1)Cl 1458a_100000070787_100000684792 [0,1,0,0,0,1|2,0,0]=4 1699 B12R1.20 CC(=O)C(C)c1ccc(cc1)Cl 1458a_100011216001_200000210301 [0,1,0,0,0,1|2,0,0]=4 1700 B12R1.20 CC(=O)C(C)c1ccc(cc1)F 1458a_100000070787_100000743420 [0,1,0,0,0,1|2,0,0]=4 1701 B12R1.20 CC(=O)C(C)c1ccc(cc1)F 1458a_100011435297_200000210301 [0,1,0,0,0,1|2,0,0]=4 1702 B12R1.20 CC(=O)C(C)c1ccc(cc1)O 1458a_100000031422_200000210301 [0,1,0,0,0,1|1,0,0]=3 1703 B12R1.20 CC(=O)C(F)c1ccc(cc1)Cl 1458a_100012277543_200000210301 [0,1,0,0,0,1|2,0,0]=4 1704 B12R1.20 CC(=O)C(O)c1ccc(cc1)Br 1458a_100000756554_200000210301 [0,1,0,0,0,1|2,0,0]=4 1705 B12R1.20 CC(=O)C(O)c1ccc(cc1)F 1458a_100000209909_200000210301 [0,1,0,0,0,1|2,0,0]=4 1706 B12R1.20 CC(=O)C(O)c1ccc(cc1)O 1458a_100011215213_200000210301 [0,1,0,0,0,1|1,0,0]=3 1707 B12R1.20 CC(=O)N(C)c1ccc(cc1)Br 11a_100000219623_100015343762 [0,1,0,0,0,1|2,0,0]=4 1708 B12R1.20 CC(=O)N(C)c1ccc(cc1)Br 1626a_100000219623_100015343762 [0,1,0,0,0,1|2,0,0]=4 1709 B12R1.20 CC(=O)N(C)c1ccc(cc1)Br 22a_100000219623_100000070787 [0,1,0,0,0,1|2,0,0]=4 1710 B12R1.20 CC(=O)N(C)c1ccc(cc1)C 11a_100000219977_100015343762 [0,1,0,0,0,1|2,0,0]=4 1711 B12R1.20 CC(=O)N(C)c1ccc(cc1)C 1626a_100000219977_100015343762 [0,1,0,0,0,1|2,0,0]=4 1712 B12R1.20 CC(=O)N(C)c1ccc(cc1)C 22a_100000219977_100000070787 [0,1,0,0,0,1|2,0,0]=4 1713 B12R1.20 CC(=O)N(C)c1ccc(cc1)Cl 11a_100020629279_100015343762 [0,1,0,0,0,1|2,0,0]=4 1714 B12R1.20 CC(=O)N(C)c1ccc(cc1)Cl 1626a_100020629279_100015343762 [0,1,0,0,0,1|2,0,0]=4 1715 B12R1.20 CC(=O)N(C)c1ccc(cc1)Cl 22a_100020629279_100000070787 [0,1,0,0,0,1|2,0,0]=4 1716 B12R1.20 CC(=O)N(C)c1ccc(cc1)F 11a_100000219829_100015343762 [0,1,0,0,0,1|2,0,0]=4 1717 B12R1.20 CC(=O)N(C)c1ccc(cc1)F 1626a_100000219829_100015343762 [0,1,0,0,0,1|2,0,0]=4 1718 B12R1.20 CC(=O)N(C)c1ccc(cc1)F 22a_100000219829_100000070787 [0,1,0,0,0,1|2,0,0]=4 1719 B12R1.20 CC(=O)N(C)c1ccc(cc1)I 11a_100000743151_100015343762 [0,1,0,0,0,1|2,0,0]=4 1720 B12R1.20 CC(=O)N(C)c1ccc(cc1)I 1626a_100000743151_100015343762 [0,1,0,0,0,1|2,0,0]=4 1721 B12R1.20 CC(=O)N(C)c1ccc(cc1)I 22a_100000743151_100000070787 [0,1,0,0,0,1|2,0,0]=4 1722 B12R1.20 CC(=O)N(C)c1ccc(cc1)O 22a_100000182112_100000070787 [0,1,0,0,0,1|1,0,0]=3 1723 B12R1.20 CC(=O)N(C)c1ccc(cc1)O 271570a_203496583355_200009816415 [0,1,0,0,0,1|1,0,0]=3 1724 B12R1.20 CC(=O)N(C)c1ccc(cc1)O 527a_100000182112_100103153847 [0,1,0,0,0,1|1,0,0]=3 1725 B12R1.20 CC(=O)[C@H](O)c1ccc(cc1)C 1458a_100009815954_200000210301 [0,1,0,0,0,1|2,0,0]=4 1726 B12R1.20 CC(=O)[C@H](O)c1ccc(cc1)Cl 1458a_100009817493_200000210301 [0,1,0,0,0,1|2,0,0]=4 1727 B12R1.20 CC(C(=O)[13CH3])c1ccc(cc1)Cl 1458a_100011216001_200025704644 [0,1,0,0,0,1|2,0,0]=4 1728 B12R1.20 CC(C(=O)[13CH3])c1ccc(cc1)F 1458a_100011435297_200025704644 [0,1,0,0,0,1|2,0,0]=4 1729 B12R1.20 CC(C(=O)[13CH3])c1ccc(cc1)O 1458a_100000031422_200025704644 [0,1,0,0,0,1|1,0,0]=3 1730 B12R1.20 Cc1ccc(cc1)C(C)C(=O)[13CH3] 1458a_100000751627_200025704644 [0,1,0,0,0,1|2,0,0]=4 1731 B12R1.20 Cc1ccc(cc1)[C@@H](O)C(=O)[13CH3] 1458a_100009815954_200025704644 [0,1,0,0,0,1|2,0,0]=4 1732 B12R1.20 NC(=O)C(=O)c1ccc(cc1)O 271570a_203496583355_200009822167 [0,1,0,0,0,1|1,0,0]=3 1733 B12R1.20 [13CH3]C(=O)C(F)c1ccc(cc1)Cl 1458a_100012277543_200025704644 [0,1,0,0,0,1|2,0,0]=4 1734 B12R1.20 [13CH3]C(=O)C(O)c1ccc(cc1)Br 1458a_100000756554_200025704644 [0,1,0,0,0,1|2,0,0]=4 1735 B12R1.20 [13CH3]C(=O)C(O)c1ccc(cc1)F 1458a_100000209909_200025704644 [0,1,0,0,0,1|2,0,0]=4 1736 B12R1.20 [13CH3]C(=O)C(O)c1ccc(cc1)O 1458a_100011215213_200025704644 [0,1,0,0,0,1|1,0,0]=3 1737 B12R1.20 [13CH3]C(=O)[C@H](O)c1ccc(cc1)Cl 1458a_100009817493_200025704644 [0,1,0,0,0,1|2,0,0]=4 1738 B12R1.49 C#CC(=O)Cc1ccc(cc1)Br 1458a_100000211873_100000189115 [0,1,0,0,0,1|2,0,0]=4 1739 B12R1.49 C#CC(=O)Cc1ccc(cc1)C 1458a_100000211873_100000210814 [0,1,0,0,0,1|2,0,0]=4 1740 B12R1.49 C#CC(=O)Cc1ccc(cc1)Cl 1458a_100000211873_100000694040 [0,1,0,0,0,1|2,0,0]=4 1741 B12R1.49 C#CC(=O)Cc1ccc(cc1)F 1458a_100000211873_100000198546 [0,1,0,0,0,1|2,0,0]=4 1742 B12R1.49 C#CC(=O)Cc1ccc(cc1)I 1458a_100000211873_100000189116 [0,1,0,0,0,1|2,0,0]=4 1743 B12R1.49 C=CC(=O)Cc1ccc(cc1)Br 1458a_100000185746_100000189115 [0,1,0,0,0,1|2,0,0]=4 1744 B12R1.49 C=CC(=O)Cc1ccc(cc1)C 1458a_100000185746_100000210814 [0,1,0,0,0,1|2,0,0]=4 1745 B12R1.49 C=CC(=O)Cc1ccc(cc1)Cl 1458a_100000185746_100000694040 [0,1,0,0,0,1|2,0,0]=4 1746 B12R1.49 C=CC(=O)Cc1ccc(cc1)F 1458a_100000185746_100000198546 [0,1,0,0,0,1|2,0,0]=4 1747 B12R1.49 C=CC(=O)Cc1ccc(cc1)I 1458a_100000185746_100000189116 [0,1,0,0,0,1|2,0,0]=4 1748 B12R1.49 C=CC(=O)Nc1ccc(cc1)Br 1626a_100000210018_100000185746 [0,1,0,0,0,1|2,0,0]=4 1749 B12R1.49 C=CC(=O)Nc1ccc(cc1)Br 22a_100000210018_100000185746 [0,1,0,0,0,1|2,0,0]=4 1750 B12R1.49 C=CC(=O)Nc1ccc(cc1)C 1626a_100000124888_100000185746 [0,1,0,0,0,1|2,0,0]=4 1751 B12R1.49 C=CC(=O)Nc1ccc(cc1)C 22a_100000124888_100000185746 [0,1,0,0,0,1|2,0,0]=4 1752 B12R1.49 C=CC(=O)Nc1ccc(cc1)Cl 1626a_100000210052_100000185746 [0,1,0,0,0,1|2,0,0]=4 1753 B12R1.49 C=CC(=O)Nc1ccc(cc1)Cl 22a_100000210052_100000185746 [0,1,0,0,0,1|2,0,0]=4 1754 B12R1.49 C=CC(=O)Nc1ccc(cc1)F 1626a_100000185862_100000185746 [0,1,0,0,0,1|2,0,0]=4 1755 B12R1.49 C=CC(=O)Nc1ccc(cc1)F 22a_100000185862_100000185746 [0,1,0,0,0,1|2,0,0]=4 1756 B12R1.49 C=CC(=O)Nc1ccc(cc1)I 1626a_100000185761_100000185746 [0,1,0,0,0,1|2,0,0]=4 1757 B12R1.49 C=CC(=O)Nc1ccc(cc1)I 22a_100000185761_100000185746 [0,1,0,0,0,1|2,0,0]=4 1758 B12R1.49 C=CC(=O)Nc1ccc(cc1)O 22a_100000185829_100000185746 [0,1,0,0,0,1|1,0,0]=3 1759 B12R1.49 CC(CO)Nc1ccc(cc1)O 34a_100000185829_100012180447 [0,1,0,0,0,1|1,0,1]=4 1760 B12R1.49 CC(CO)Sc1ccc(cc1)O 62a_100012180447_100000185759 [0,1,0,0,0,1|1,0,1]=4 1761 B12R1.49 CCC(=O)Cc1ccc(cc1)Br 1458a_100000198978_100000210202 [0,1,0,0,0,1|2,0,0]=4 1762 B12R1.49 CCC(=O)Cc1ccc(cc1)Br 1458a_100000210414_100000189115 [0,1,0,0,0,1|2,0,0]=4 1763 B12R1.49 CCC(=O)Cc1ccc(cc1)C 1458a_100000210414_100000210814 [0,1,0,0,0,1|2,0,0]=4 1764 B12R1.49 CCC(=O)Cc1ccc(cc1)C 1458a_100000212244_100000210202 [0,1,0,0,0,1|2,0,0]=4 1765 B12R1.49 CCC(=O)Cc1ccc(cc1)Cl 1458a_100000210414_100000694040 [0,1,0,0,0,1|2,0,0]=4 1766 B12R1.49 CCC(=O)Cc1ccc(cc1)Cl 1458a_100000211027_100000210202 [0,1,0,0,0,1|2,0,0]=4 1767 B12R1.49 CCC(=O)Cc1ccc(cc1)F 1458a_100000210414_100000198546 [0,1,0,0,0,1|2,0,0]=4 1768 B12R1.49 CCC(=O)Cc1ccc(cc1)F 1458a_100000210951_100000210202 [0,1,0,0,0,1|2,0,0]=4 1769 B12R1.49 CCC(=O)Cc1ccc(cc1)I 1458a_100000210414_100000189116 [0,1,0,0,0,1|2,0,0]=4 1770 B12R1.49 CCC(=O)Cc1ccc(cc1)I 1458a_100000688869_100000210202 [0,1,0,0,0,1|2,0,0]=4 1771 B12R1.49 CCC(=O)Cc1ccc(cc1)O 1458a_100000198540_100000210202 [0,1,0,0,0,1|1,0,0]=3 1772 B12R1.49 CCC(=O)Nc1ccc(cc1)Br 11a_100000210018_100000210414 [0,1,0,0,0,1|2,0,0]=4 1773 B12R1.49 CCC(=O)Nc1ccc(cc1)Br 1626a_100000210018_100000210414 [0,1,0,0,0,1|2,0,0]=4 1774 B12R1.49 CCC(=O)Nc1ccc(cc1)Br 22a_100000210018_100000210414 [0,1,0,0,0,1|2,0,0]=4 1775 B12R1.49 CCC(=O)Nc1ccc(cc1)Br 527a_100000210018_100000210414 [0,1,0,0,0,1|2,0,0]=4 1776 B12R1.49 CCC(=O)Nc1ccc(cc1)C 11a_100000124888_100000210414 [0,1,0,0,0,1|2,0,0]=4 1777 B12R1.49 CCC(=O)Nc1ccc(cc1)C 1626a_100000124888_100000210414 [0,1,0,0,0,1|2,0,0]=4 1778 B12R1.49 CCC(=O)Nc1ccc(cc1)C 22a_100000124888_100000210414 [0,1,0,0,0,1|2,0,0]=4 1779 B12R1.49 CCC(=O)Nc1ccc(cc1)C 527a_100000124888_100000210414 [0,1,0,0,0,1|2,0,0]=4 1780 B12R1.49 CCC(=O)Nc1ccc(cc1)Cl 11a_100000210052_100000210414 [0,1,0,0,0,1|2,0,0]=4 1781 B12R1.49 CCC(=O)Nc1ccc(cc1)Cl 1626a_100000210052_100000210414 [0,1,0,0,0,1|2,0,0]=4 1782 B12R1.49 CCC(=O)Nc1ccc(cc1)Cl 22a_100000210052_100000210414 [0,1,0,0,0,1|2,0,0]=4 1783 B12R1.49 CCC(=O)Nc1ccc(cc1)Cl 527a_100000210052_100000210414 [0,1,0,0,0,1|2,0,0]=4 1784 B12R1.49 CCC(=O)Nc1ccc(cc1)F 11a_100000185862_100000210414 [0,1,0,0,0,1|2,0,0]=4 1785 B12R1.49 CCC(=O)Nc1ccc(cc1)F 1626a_100000185862_100000210414 [0,1,0,0,0,1|2,0,0]=4 1786 B12R1.49 CCC(=O)Nc1ccc(cc1)F 22a_100000185862_100000210414 [0,1,0,0,0,1|2,0,0]=4 1787 B12R1.49 CCC(=O)Nc1ccc(cc1)F 527a_100000185862_100000210414 [0,1,0,0,0,1|2,0,0]=4 1788 B12R1.49 CCC(=O)Nc1ccc(cc1)I 11a_100000185761_100000210414 [0,1,0,0,0,1|2,0,0]=4 1789 B12R1.49 CCC(=O)Nc1ccc(cc1)I 1626a_100000185761_100000210414 [0,1,0,0,0,1|2,0,0]=4 1790 B12R1.49 CCC(=O)Nc1ccc(cc1)I 22a_100000185761_100000210414 [0,1,0,0,0,1|2,0,0]=4 1791 B12R1.49 CCC(=O)Nc1ccc(cc1)I 527a_100000185761_100000210414 [0,1,0,0,0,1|2,0,0]=4 1792 B12R1.49 CCC(=O)Nc1ccc(cc1)O 22a_100000185829_100000210414 [0,1,0,0,0,1|1,0,0]=3 1793 B12R1.49 CCC(=O)Oc1ccc(cc1)O 271570a_203496583355_200009811598 [0,1,0,0,0,1|1,0,0]=3 1794 B12R1.49 CNC(=O)Cc1ccc(cc1)Br 11a_106832991635_100000198978 [0,1,0,0,0,1|2,0,0]=4 1795 B12R1.49 CNC(=O)Cc1ccc(cc1)Br 240690a_100102657272_100000198978 [0,1,0,0,0,1|2,0,0]=4 1796 B12R1.49 CNC(=O)Cc1ccc(cc1)Br 527a_100102657272_100000198978 [0,1,0,0,0,1|2,0,0]=4 1797 B12R1.49 CNC(=O)Cc1ccc(cc1)C 11a_106832991635_100000212244 [0,1,0,0,0,1|2,0,0]=4 1798 B12R1.49 CNC(=O)Cc1ccc(cc1)C 240690a_100102657272_100000212244 [0,1,0,0,0,1|2,0,0]=4 1799 B12R1.49 CNC(=O)Cc1ccc(cc1)C 527a_100102657272_100000212244 [0,1,0,0,0,1|2,0,0]=4 1800 B12R1.49 CNC(=O)Cc1ccc(cc1)Cl 11a_106832991635_100000211027 [0,1,0,0,0,1|2,0,0]=4 1801 B12R1.49 CNC(=O)Cc1ccc(cc1)Cl 240690a_100102657272_100000211027 [0,1,0,0,0,1|2,0,0]=4 1802 B12R1.49 CNC(=O)Cc1ccc(cc1)Cl 527a_100102657272_100000211027 [0,1,0,0,0,1|2,0,0]=4 1803 B12R1.49 CNC(=O)Cc1ccc(cc1)F 11a_106832991635_100000210951 [0,1,0,0,0,1|2,0,0]=4 1804 B12R1.49 CNC(=O)Cc1ccc(cc1)F 1626a_100102657272_100000210951 [0,1,0,0,0,1|2,0,0]=4 1805 B12R1.49 CNC(=O)Cc1ccc(cc1)F 240690a_100102657272_100000210951 [0,1,0,0,0,1|2,0,0]=4 1806 B12R1.49 CNC(=O)Cc1ccc(cc1)F 527a_100102657272_100000210951 [0,1,0,0,0,1|2,0,0]=4 1807 B12R1.49 CNC(=O)Cc1ccc(cc1)I 11a_106832991635_100000688869 [0,1,0,0,0,1|2,0,0]=4 1808 B12R1.49 CNC(=O)Cc1ccc(cc1)I 1626a_100102657272_100000688869 [0,1,0,0,0,1|2,0,0]=4 1809 B12R1.49 CNC(=O)Cc1ccc(cc1)I 240690a_100102657272_100000688869 [0,1,0,0,0,1|2,0,0]=4 1810 B12R1.49 CNC(=O)Cc1ccc(cc1)I 527a_100102657272_100000688869 [0,1,0,0,0,1|2,0,0]=4 1811 B12R1.49 CNC(=O)Cc1ccc(cc1)O 1626a_100102657272_100000198540 [0,1,0,0,0,1|1,0,0]=3 1812 B12R1.49 CNC(=O)Cc1ccc(cc1)O 240690a_100102657272_100000198540 [0,1,0,0,0,1|1,0,0]=3 1813 B12R1.49 CNC(=O)Cc1ccc(cc1)O 271570a_203496583355_100000155101 [0,1,0,0,0,1|1,0,0]=3 1814 B12R1.49 CNC(=O)Cc1ccc(cc1)O 527a_100102657272_100000198540 [0,1,0,0,0,1|1,0,0]=3 1815 B12R1.49 CNC(=O)Nc1ccc(cc1)Br 2430a_100000210018_100102657272 [0,1,0,0,0,1|2,0,0]=4 1816 B12R1.49 CNC(=O)Nc1ccc(cc1)C 2430a_100000124888_100102657272 [0,1,0,0,0,1|2,0,0]=4 1817 B12R1.49 CNC(=O)Nc1ccc(cc1)Cl 2430a_100000210052_100102657272 [0,1,0,0,0,1|2,0,0]=4 1818 B12R1.49 CNC(=O)Nc1ccc(cc1)F 2430a_100000185862_100102657272 [0,1,0,0,0,1|2,0,0]=4 1819 B12R1.49 CNC(=O)Nc1ccc(cc1)I 2430a_100000185761_100102657272 [0,1,0,0,0,1|2,0,0]=4 1820 B12R1.49 CNC(=O)Nc1ccc(cc1)O 2430a_100000185829_100102657272 [0,1,0,0,0,1|1,0,0]=3 1821 B12R1.49 COC(=O)Cc1ccc(cc1)O 271570a_203496583355_100000149743 [0,1,0,0,0,1|0,0,0]=2 1822 B12R1.49 COC(=O)Cc1ccc(cn1)O 271570a_203496583355_100012362609 [0,1,0,0,0,1|1,0,0]=3 1823 B12R1.49 COC(=O)Cc1ccc(nc1)O 271570a_203496583355_100000071674 [0,1,0,0,0,1|1,0,0]=3 1824 B12R1.49 COC(=O)Cc1ncc(cn1)O 271570a_203496583355_100010080487 [0,1,0,0,0,1|2,0,0]=4 1825 B12R1.49 COC(=O)Nc1ccc(cc1)O 271570a_203496583355_100000181880 [0,1,0,0,0,1|0,0,0]=2 1826 B12R1.49 COC(=O)Nc1ccc(cn1)O 271570a_203496583355_100000188976 [0,1,0,0,0,1|1,0,0]=3 1827 B12R1.49 COC(C)Sc1ccc(cc1)O 62a_100009879195_100000185759 [0,1,0,0,0,1|1,0,1]=4 1828 B12R1.49 C[C@H](CO)Sc1ccc(cc1)O 62a_100016084084_100000185759 [0,1,0,0,0,1|1,0,1]=4 1829 B12R1.49 Cc1ccc(cc1)CC(=O)CF 1458a_100000212244_100015361967 [0,1,0,0,0,1|2,0,0]=4 1830 B12R1.49 Cc1ccc(cc1)CC(=O)CO 1458a_100000210174_100000210814 [0,1,0,0,0,1|1,0,0]=3 1831 B12R1.49 Cc1ccc(cc1)NC(=O)CO 22a_100000124888_100000210174 [0,1,0,0,0,1|1,0,0]=3 1832 B12R1.49 Cc1ccc(cc1)NC(=O)CO 527a_100000124888_100000210174 [0,1,0,0,0,1|1,0,0]=3 1833 B12R1.49 Cc1ccc(cn1)CC(=O)CO 1458a_100000210174_100016987292 [0,1,0,0,0,1|2,0,0]=4 1834 B12R1.49 Cc1ccc(nc1)CC(=O)CO 1458a_100000210174_100000691093 [0,1,0,0,0,1|2,0,0]=4 1835 B12R1.49 O=C(CF)Cc1ccc(cc1)Br 1458a_100000198978_100015361967 [0,1,0,0,0,1|2,0,0]=4 1836 B12R1.49 O=C(CF)Cc1ccc(cc1)Cl 1458a_100000211027_100015361967 [0,1,0,0,0,1|2,0,0]=4 1837 B12R1.49 O=C(CF)Cc1ccc(cc1)F 1458a_100000210951_100015361967 [0,1,0,0,0,1|2,0,0]=4 1838 B12R1.49 O=C(CF)Cc1ccc(cc1)I 1458a_100000688869_100015361967 [0,1,0,0,0,1|2,0,0]=4 1839 B12R1.49 O=C(CF)Cc1ccc(cc1)O 1458a_100000198540_100015361967 [0,1,0,0,0,1|1,0,0]=3 1840 B12R1.49 O=C(CO)Cc1ccc(cc1)Br 1458a_100000210174_100000189115 [0,1,0,0,0,1|1,0,0]=3 1841 B12R1.49 O=C(CO)Cc1ccc(cc1)Cl 1458a_100000210174_100000694040 [0,1,0,0,0,1|1,0,0]=3 1842 B12R1.49 O=C(CO)Cc1ccc(cc1)F 1458a_100000210174_100000198546 [0,1,0,0,0,1|1,0,0]=3 1843 B12R1.49 O=C(CO)Cc1ccc(cc1)I 1458a_100000210174_100000189116 [0,1,0,0,0,1|1,0,0]=3 1844 B12R1.49 O=C(CO)Cc1ccc(cn1)Br 1458a_100000210174_100000702658 [0,1,0,0,0,1|2,0,0]=4 1845 B12R1.49 O=C(CO)Cc1ccc(cn1)Cl 1458a_100000210174_100012066911 [0,1,0,0,0,1|2,0,0]=4 1846 B12R1.49 O=C(CO)Cc1ccc(cn1)F 1458a_100000210174_100000703193 [0,1,0,0,0,1|2,0,0]=4 1847 B12R1.49 O=C(CO)Cc1ccc(nc1)Br 1458a_100000210174_100009831999 [0,1,0,0,0,1|2,0,0]=4 1848 B12R1.49 O=C(CO)Cc1ccc(nc1)Cl 1458a_100000210174_100000735431 [0,1,0,0,0,1|2,0,0]=4 1849 B12R1.49 O=C(CO)Cc1ccc(nc1)F 1458a_100000210174_100009820150 [0,1,0,0,0,1|2,0,0]=4 1850 B12R1.49 O=C(CO)Nc1ccc(cc1)Br 22a_100000210018_100000210174 [0,1,0,0,0,1|1,0,0]=3 1851 B12R1.49 O=C(CO)Nc1ccc(cc1)Br 527a_100000210018_100000210174 [0,1,0,0,0,1|1,0,0]=3 1852 B12R1.49 O=C(CO)Nc1ccc(cc1)Cl 22a_100000210052_100000210174 [0,1,0,0,0,1|1,0,0]=3 1853 B12R1.49 O=C(CO)Nc1ccc(cc1)Cl 527a_100000210052_100000210174 [0,1,0,0,0,1|1,0,0]=3 1854 B12R1.49 O=C(CO)Nc1ccc(cc1)F 22a_100000185862_100000210174 [0,1,0,0,0,1|1,0,0]=3 1855 B12R1.49 O=C(CO)Nc1ccc(cc1)F 527a_100000185862_100000210174 [0,1,0,0,0,1|1,0,0]=3 1856 B12R1.49 O=C(CO)Nc1ccc(cc1)I 22a_100000185761_100000210174 [0,1,0,0,0,1|1,0,0]=3 1857 B12R1.49 O=C(CO)Nc1ccc(cc1)I 527a_100000185761_100000210174 [0,1,0,0,0,1|1,0,0]=3 1858 B12R1.49 O=C(CO)Nc1ccc(cc1)O 22a_100000185829_100000210174 [0,1,0,0,0,1|0,0,0]=2 1859 B12R1.106 CS(=O)(=O)Cc1ccc(cc1)O 271570a_203496583355_100009814647 [0,1,0,0,0,1|1,0,1]=4 1860 B12R1.106 CS(=O)(=O)Nc1ccc(cc1)O 271570a_203496583355_200000165602 [0,1,0,0,0,1|1,0,1]=4 1861 B12R1.106 NS(=O)(=O)Cc1ccc(cc1)O 271570a_203496583355_100000764258 [0,1,0,0,0,1|1,0,1]=4 1862 B12R1.233 CC(=Cc1ccc(cc1Br)O)C 271570a_100102525489_100000701344 [0,1,0,0,0,1|2,0,0]=4 1863 B12R1.233 CC(=Cc1ccc(cc1C)O)C 271570a_100102525489_100000729255 [0,1,0,0,0,1|2,0,0]=4 1864 B12R1.233 CC(=Cc1ccc(cc1Cl)O)C 271570a_100102525489_100000047559 [0,1,0,0,0,1|2,0,0]=4 1865 B12R1.233 CC(=Cc1ccc(cc1F)O)C 271570a_100102525489_100000755031 [0,1,0,0,0,1|2,0,0]=4 1866 B12R1.233 CC(=Cc1ccc(cc1N)O)C 271570a_100102525489_100011999798 [0,1,0,0,0,1|2,0,0]=4 1867 B12R1.233 CC(=Cc1ccc(cc1O)O)C 271570a_100102525489_100009813921 [0,1,0,0,0,1|2,0,0]=4 1868 B12R1.233 CC(=O)Cc1ccc(cc1Br)Br 1458a_100000070787_200012351560 [0,1,0,0,0,1|2,0,0]=4 1869 B12R1.233 CC(=O)Cc1ccc(cc1Br)Br 1458a_100010172832_200000210301 [0,1,0,0,0,1|2,0,0]=4 1870 B12R1.233 CC(=O)Cc1ccc(cc1Br)Cl 1458a_100000070787_100000755608 [0,1,0,0,0,1|2,0,0]=4 1871 B12R1.233 CC(=O)Cc1ccc(cc1Br)Cl 1458a_100000755479_200000210301 [0,1,0,0,0,1|2,0,0]=4 1872 B12R1.233 CC(=O)Cc1ccc(cc1Br)F 1458a_100000070787_100000243222 [0,1,0,0,0,1|2,0,0]=4 1873 B12R1.233 CC(=O)Cc1ccc(cc1Br)F 1458a_100000708238_200000210301 [0,1,0,0,0,1|2,0,0]=4 1874 B12R1.233 CC(=O)Cc1ccc(cc1Br)I 1458a_100000070787_100010146610 [0,1,0,0,0,1|2,0,0]=4 1875 B12R1.233 CC(=O)Cc1ccc(cc1Br)O 1458a_100010176083_200000210301 [0,1,0,0,0,1|1,0,0]=3 1876 B12R1.233 CC(=O)Cc1ccc(cc1C)Br 1458a_100000070787_100000708836 [0,1,0,0,0,1|2,0,0]=4 1877 B12R1.233 CC(=O)Cc1ccc(cc1C)Br 1458a_100000697930_200000210301 [0,1,0,0,0,1|2,0,0]=4 1878 B12R1.233 CC(=O)Cc1ccc(cc1C)C 1458a_100000070787_100011219618 [0,1,0,0,0,1|2,0,0]=4 1879 B12R1.233 CC(=O)Cc1ccc(cc1C)C 1458a_100011236500_200000210301 [0,1,0,0,0,1|2,0,0]=4 1880 B12R1.233 CC(=O)Cc1ccc(cc1C)Cl 1458a_100000070787_100012361307 [0,1,0,0,0,1|2,0,0]=4 1881 B12R1.233 CC(=O)Cc1ccc(cc1C)F 1458a_100000070787_100000700533 [0,1,0,0,0,1|2,0,0]=4 1882 B12R1.233 CC(=O)Cc1ccc(cc1C)F 1458a_100011667441_200000210301 [0,1,0,0,0,1|2,0,0]=4 1883 B12R1.233 CC(=O)Cc1ccc(cc1Cl)Br 1458a_100000070787_100011740631 [0,1,0,0,0,1|2,0,0]=4 1884 B12R1.233 CC(=O)Cc1ccc(cc1Cl)Br 1458a_100012361378_200000210301 [0,1,0,0,0,1|2,0,0]=4 1885 B12R1.233 CC(=O)Cc1ccc(cc1Cl)C 1458a_100000070787_100012349684 [0,1,0,0,0,1|2,0,0]=4 1886 B12R1.233 CC(=O)Cc1ccc(cc1Cl)Cl 1458a_100000070787_100000188473 [0,1,0,0,0,1|2,0,0]=4 1887 B12R1.233 CC(=O)Cc1ccc(cc1Cl)Cl 1458a_100000210926_200000210301 [0,1,0,0,0,1|2,0,0]=4 1888 B12R1.233 CC(=O)Cc1ccc(cc1Cl)F 1458a_100000070787_100011216360 [0,1,0,0,0,1|2,0,0]=4 1889 B12R1.233 CC(=O)Cc1ccc(cc1Cl)F 1458a_100000690284_200000210301 [0,1,0,0,0,1|2,0,0]=4 1890 B12R1.233 CC(=O)Cc1ccc(cc1F)Br 1458a_100000070787_100000211606 [0,1,0,0,0,1|2,0,0]=4 1891 B12R1.233 CC(=O)Cc1ccc(cc1F)Br 1458a_100011295475_200000210301 [0,1,0,0,0,1|2,0,0]=4 1892 B12R1.233 CC(=O)Cc1ccc(cc1F)C 1458a_100000042674_200000210301 [0,1,0,0,0,1|2,0,0]=4 1893 B12R1.233 CC(=O)Cc1ccc(cc1F)C 1458a_100000070787_100012002367 [0,1,0,0,0,1|2,0,0]=4 1894 B12R1.233 CC(=O)Cc1ccc(cc1F)Cl 1458a_100000070787_100000709361 [0,1,0,0,0,1|2,0,0]=4 1895 B12R1.233 CC(=O)Cc1ccc(cc1F)Cl 1458a_100011830378_200000210301 [0,1,0,0,0,1|2,0,0]=4 1896 B12R1.233 CC(=O)Cc1ccc(cc1F)F 1458a_100000070787_100000748237 [0,1,0,0,0,1|2,0,0]=4 1897 B12R1.233 CC(=O)Cc1ccc(cc1F)F 1458a_100000684719_200000210301 [0,1,0,0,0,1|2,0,0]=4 1898 B12R1.233 CC(=O)Cc1ccc(cc1F)I 1458a_100000070787_100010244991 [0,1,0,0,0,1|2,0,0]=4 1899 B12R1.233 CC(=O)Cc1ccc(cc1F)I 1458a_100010149628_200000210301 [0,1,0,0,0,1|2,0,0]=4 1900 B12R1.233 CC(=O)Cc1ccc(cc1F)O 1458a_100000090534_200000210301 [0,1,0,0,0,1|1,0,0]=3 1901 B12R1.233 CC(=O)Cc1ccc(cc1I)Br 1458a_100000070787_100010146615 [0,1,0,0,0,1|2,0,0]=4 1902 B12R1.233 CC(=O)Cc1ccc(cc1I)Cl 1458a_100000070787_100010254388 [0,1,0,0,0,1|2,0,0]=4 1903 B12R1.233 CC(=O)Cc1ccc(cc1I)F 1458a_100000070787_100012354799 [0,1,0,0,0,1|2,0,0]=4 1904 B12R1.233 CC(=O)Cc1ccc(cc1O)Br 1458a_100000707504_200000210301 [0,1,0,0,0,1|2,0,0]=4 1905 B12R1.233 CC(=O)Nc1ccc(cc1Br)Br 11a_100000211012_100015343762 [0,1,0,0,0,1|2,0,0]=4 1906 B12R1.233 CC(=O)Nc1ccc(cc1Br)Br 1626a_100000211012_100015343762 [0,1,0,0,0,1|2,0,0]=4 1907 B12R1.233 CC(=O)Nc1ccc(cc1Br)C 11a_100000210942_100015343762 [0,1,0,0,0,1|2,0,0]=4 1908 B12R1.233 CC(=O)Nc1ccc(cc1Br)C 1626a_100000210942_100015343762 [0,1,0,0,0,1|2,0,0]=4 1909 B12R1.233 CC(=O)Nc1ccc(cc1Br)Cl 11a_100000752454_100015343762 [0,1,0,0,0,1|2,0,0]=4 1910 B12R1.233 CC(=O)Nc1ccc(cc1Br)Cl 1626a_100000752454_100015343762 [0,1,0,0,0,1|2,0,0]=4 1911 B12R1.233 CC(=O)Nc1ccc(cc1Br)F 11a_100000738039_100015343762 [0,1,0,0,0,1|2,0,0]=4 1912 B12R1.233 CC(=O)Nc1ccc(cc1Br)F 1626a_100000738039_100015343762 [0,1,0,0,0,1|2,0,0]=4 1913 B12R1.233 CC(=O)Nc1ccc(cc1Br)I 11a_100000750455_100015343762 [0,1,0,0,0,1|2,0,0]=4 1914 B12R1.233 CC(=O)Nc1ccc(cc1Br)I 1626a_100000750455_100015343762 [0,1,0,0,0,1|2,0,0]=4 1915 B12R1.233 CC(=O)Nc1ccc(cc1Br)O 22a_100012001276_100000070787 [0,1,0,0,0,1|1,0,0]=3 1916 B12R1.233 CC(=O)Nc1ccc(cc1Br)O 527a_100012001276_100103153847 [0,1,0,0,0,1|1,0,0]=3 1917 B12R1.233 CC(=O)Nc1ccc(cc1C)Br 11a_100000211769_100015343762 [0,1,0,0,0,1|2,0,0]=4 1918 B12R1.233 CC(=O)Nc1ccc(cc1C)Br 1626a_100000211769_100015343762 [0,1,0,0,0,1|2,0,0]=4 1919 B12R1.233 CC(=O)Nc1ccc(cc1C)Br 22a_100000211769_100000070787 [0,1,0,0,0,1|2,0,0]=4 1920 B12R1.233 CC(=O)Nc1ccc(cc1C)C 11a_100000736561_100015343762 [0,1,0,0,0,1|2,0,0]=4 1921 B12R1.233 CC(=O)Nc1ccc(cc1C)C 1626a_100000736561_100015343762 [0,1,0,0,0,1|2,0,0]=4 1922 B12R1.233 CC(=O)Nc1ccc(cc1C)C 22a_100000736561_100000070787 [0,1,0,0,0,1|2,0,0]=4 1923 B12R1.233 CC(=O)Nc1ccc(cc1C)C 527a_100000736561_100103153847 [0,1,0,0,0,1|2,0,0]=4 1924 B12R1.233 CC(=O)Nc1ccc(cc1C)Cl 11a_100000210418_100015343762 [0,1,0,0,0,1|2,0,0]=4 1925 B12R1.233 CC(=O)Nc1ccc(cc1C)Cl 1626a_100000210418_100015343762 [0,1,0,0,0,1|2,0,0]=4 1926 B12R1.233 CC(=O)Nc1ccc(cc1C)Cl 22a_100000210418_100000070787 [0,1,0,0,0,1|2,0,0]=4 1927 B12R1.233 CC(=O)Nc1ccc(cc1C)F 11a_100000211637_100015343762 [0,1,0,0,0,1|2,0,0]=4 1928 B12R1.233 CC(=O)Nc1ccc(cc1C)F 1626a_100000211637_100015343762 [0,1,0,0,0,1|2,0,0]=4 1929 B12R1.233 CC(=O)Nc1ccc(cc1C)F 22a_100000211637_100000070787 [0,1,0,0,0,1|2,0,0]=4 1930 B12R1.233 CC(=O)Nc1ccc(cc1C)F 527a_100000211637_100103153847 [0,1,0,0,0,1|2,0,0]=4 1931 B12R1.233 CC(=O)Nc1ccc(cc1C)I 11a_100000184554_100015343762 [0,1,0,0,0,1|2,0,0]=4 1932 B12R1.233 CC(=O)Nc1ccc(cc1C)I 1626a_100000184554_100015343762 [0,1,0,0,0,1|2,0,0]=4 1933 B12R1.233 CC(=O)Nc1ccc(cc1C)I 22a_100000184554_100000070787 [0,1,0,0,0,1|2,0,0]=4 1934 B12R1.233 CC(=O)Nc1ccc(cc1C)O 22a_100000756630_100000070787 [0,1,0,0,0,1|1,0,0]=3 1935 B12R1.233 CC(=O)Nc1ccc(cc1C)O 271570a_203496583355_100000152120 [0,1,0,0,0,1|1,0,0]=3 1936 B12R1.233 CC(=O)Nc1ccc(cc1C)O 527a_100000756630_100103153847 [0,1,0,0,0,1|1,0,0]=3 1937 B12R1.233 CC(=O)Nc1ccc(cc1Cl)Br 11a_100000211467_100015343762 [0,1,0,0,0,1|2,0,0]=4 1938 B12R1.233 CC(=O)Nc1ccc(cc1Cl)Br 1626a_100000211467_100015343762 [0,1,0,0,0,1|2,0,0]=4 1939 B12R1.233 CC(=O)Nc1ccc(cc1Cl)C 11a_100000210522_100015343762 [0,1,0,0,0,1|2,0,0]=4 1940 B12R1.233 CC(=O)Nc1ccc(cc1Cl)C 1626a_100000210522_100015343762 [0,1,0,0,0,1|2,0,0]=4 1941 B12R1.233 CC(=O)Nc1ccc(cc1Cl)C 22a_100000210522_100000070787 [0,1,0,0,0,1|2,0,0]=4 1942 B12R1.233 CC(=O)Nc1ccc(cc1Cl)Cl 11a_100000185861_100015343762 [0,1,0,0,0,1|2,0,0]=4 1943 B12R1.233 CC(=O)Nc1ccc(cc1Cl)Cl 1626a_100000185861_100015343762 [0,1,0,0,0,1|2,0,0]=4 1944 B12R1.233 CC(=O)Nc1ccc(cc1Cl)Cl 22a_100000185861_100000070787 [0,1,0,0,0,1|2,0,0]=4 1945 B12R1.233 CC(=O)Nc1ccc(cc1Cl)F 11a_100000212003_100015343762 [0,1,0,0,0,1|2,0,0]=4 1946 B12R1.233 CC(=O)Nc1ccc(cc1Cl)F 1626a_100000212003_100015343762 [0,1,0,0,0,1|2,0,0]=4 1947 B12R1.233 CC(=O)Nc1ccc(cc1Cl)F 22a_100000212003_100000070787 [0,1,0,0,0,1|2,0,0]=4 1948 B12R1.233 CC(=O)Nc1ccc(cc1Cl)I 11a_100011218065_100015343762 [0,1,0,0,0,1|2,0,0]=4 1949 B12R1.233 CC(=O)Nc1ccc(cc1Cl)I 1626a_100011218065_100015343762 [0,1,0,0,0,1|2,0,0]=4 1950 B12R1.233 CC(=O)Nc1ccc(cc1Cl)I 22a_100011218065_100000070787 [0,1,0,0,0,1|2,0,0]=4 1951 B12R1.233 CC(=O)Nc1ccc(cc1Cl)O 22a_100011215599_100000070787 [0,1,0,0,0,1|1,0,0]=3 1952 B12R1.233 CC(=O)Nc1ccc(cc1Cl)O 271570a_203496583355_100011273303 [0,1,0,0,0,1|1,0,0]=3 1953 B12R1.233 CC(=O)Nc1ccc(cc1Cl)O 527a_100011215599_100103153847 [0,1,0,0,0,1|1,0,0]=3 1954 B12R1.233 CC(=O)Nc1ccc(cc1F)Br 11a_100000210722_100015343762 [0,1,0,0,0,1|2,0,0]=4 1955 B12R1.233 CC(=O)Nc1ccc(cc1F)Br 1626a_100000210722_100015343762 [0,1,0,0,0,1|2,0,0]=4 1956 B12R1.233 CC(=O)Nc1ccc(cc1F)Br 22a_100000210722_100000070787 [0,1,0,0,0,1|2,0,0]=4 1957 B12R1.233 CC(=O)Nc1ccc(cc1F)C 11a_100000211023_100015343762 [0,1,0,0,0,1|2,0,0]=4 1958 B12R1.233 CC(=O)Nc1ccc(cc1F)C 1626a_100000211023_100015343762 [0,1,0,0,0,1|2,0,0]=4 1959 B12R1.233 CC(=O)Nc1ccc(cc1F)C 22a_100000211023_100000070787 [0,1,0,0,0,1|2,0,0]=4 1960 B12R1.233 CC(=O)Nc1ccc(cc1F)C 527a_100000211023_100103153847 [0,1,0,0,0,1|2,0,0]=4 1961 B12R1.233 CC(=O)Nc1ccc(cc1F)Cl 11a_100000211020_100015343762 [0,1,0,0,0,1|2,0,0]=4 1962 B12R1.233 CC(=O)Nc1ccc(cc1F)Cl 1626a_100000211020_100015343762 [0,1,0,0,0,1|2,0,0]=4 1963 B12R1.233 CC(=O)Nc1ccc(cc1F)Cl 22a_100000211020_100000070787 [0,1,0,0,0,1|2,0,0]=4 1964 B12R1.233 CC(=O)Nc1ccc(cc1F)F 11a_100000210720_100015343762 [0,1,0,0,0,1|2,0,0]=4 1965 B12R1.233 CC(=O)Nc1ccc(cc1F)F 1626a_100000210720_100015343762 [0,1,0,0,0,1|2,0,0]=4 1966 B12R1.233 CC(=O)Nc1ccc(cc1F)F 22a_100000210720_100000070787 [0,1,0,0,0,1|2,0,0]=4 1967 B12R1.233 CC(=O)Nc1ccc(cc1F)I 11a_100011215594_100015343762 [0,1,0,0,0,1|2,0,0]=4 1968 B12R1.233 CC(=O)Nc1ccc(cc1F)I 1626a_100011215594_100015343762 [0,1,0,0,0,1|2,0,0]=4 1969 B12R1.233 CC(=O)Nc1ccc(cc1F)I 22a_100011215594_100000070787 [0,1,0,0,0,1|2,0,0]=4 1970 B12R1.233 CC(=O)Nc1ccc(cc1F)O 22a_100000759473_100000070787 [0,1,0,0,0,1|1,0,0]=3 1971 B12R1.233 CC(=O)Nc1ccc(cc1F)O 271570a_203496583355_100000155584 [0,1,0,0,0,1|1,0,0]=3 1972 B12R1.233 CC(=O)Nc1ccc(cc1F)O 527a_100000759473_100103153847 [0,1,0,0,0,1|1,0,0]=3 1973 B12R1.233 CC(=O)Nc1ccc(cc1I)Br 11a_100000187925_100015343762 [0,1,0,0,0,1|2,0,0]=4 1974 B12R1.233 CC(=O)Nc1ccc(cc1I)Br 1626a_100000187925_100015343762 [0,1,0,0,0,1|2,0,0]=4 1975 B12R1.233 CC(=O)Nc1ccc(cc1I)C 11a_100011356834_100015343762 [0,1,0,0,0,1|2,0,0]=4 1976 B12R1.233 CC(=O)Nc1ccc(cc1I)C 1626a_100011356834_100015343762 [0,1,0,0,0,1|2,0,0]=4 1977 B12R1.233 CC(=O)Nc1ccc(cc1I)Cl 11a_100000761889_100015343762 [0,1,0,0,0,1|2,0,0]=4 1978 B12R1.233 CC(=O)Nc1ccc(cc1I)Cl 1626a_100000761889_100015343762 [0,1,0,0,0,1|2,0,0]=4 1979 B12R1.233 CC(=O)Nc1ccc(cc1I)F 11a_100000760547_100015343762 [0,1,0,0,0,1|2,0,0]=4 1980 B12R1.233 CC(=O)Nc1ccc(cc1I)F 1626a_100000760547_100015343762 [0,1,0,0,0,1|2,0,0]=4 1981 B12R1.233 CC(=O)Nc1ccc(cc1I)F 22a_100000760547_100000070787 [0,1,0,0,0,1|2,0,0]=4 1982 B12R1.233 CC(=O)Nc1ccc(cc1I)I 11a_100010002754_100015343762 [0,1,0,0,0,1|2,0,0]=4 1983 B12R1.233 CC(=O)Nc1ccc(cc1I)I 1626a_100010002754_100015343762 [0,1,0,0,0,1|2,0,0]=4 1984 B12R1.233 CC(=O)Nc1ccc(cc1I)O 22a_100010084370_100000070787 [0,1,0,0,0,1|1,0,0]=3 1985 B12R1.233 CC(=O)Nc1ccc(cc1I)O 527a_100010084370_100103153847 [0,1,0,0,0,1|1,0,0]=3 1986 B12R1.233 CC(=O)Nc1ccc(cc1N)O 271570a_203496583355_100000749274 [0,1,0,0,0,1|1,0,0]=3 1987 B12R1.233 CC(=O)Nc1ccc(cc1O)Br 22a_100000739049_100000070787 [0,1,0,0,0,1|2,0,0]=4 1988 B12R1.233 CC(=O)Nc1ccc(cc1O)Br 271570a_203496583355_100009813020 [0,1,0,0,0,1|2,0,0]=4 1989 B12R1.233 CC(=O)Nc1ccc(cc1O)Br 527a_100000739049_100103153847 [0,1,0,0,0,1|2,0,0]=4 1990 B12R1.233 CC(=O)Nc1ccc(cc1O)C 22a_100000211527_100000070787 [0,1,0,0,0,1|2,0,0]=4 1991 B12R1.233 CC(=O)Nc1ccc(cc1O)C 271570a_203496583355_100000152032 [0,1,0,0,0,1|2,0,0]=4 1992 B12R1.233 CC(=O)Nc1ccc(cc1O)C 527a_100000211527_100103153847 [0,1,0,0,0,1|2,0,0]=4 1993 B12R1.233 CC(=O)Nc1ccc(cc1O)Cl 22a_100000185728_100000070787 [0,1,0,0,0,1|2,0,0]=4 1994 B12R1.233 CC(=O)Nc1ccc(cc1O)Cl 527a_100000185728_100103153847 [0,1,0,0,0,1|2,0,0]=4 1995 B12R1.233 CC(=O)Nc1ccc(cc1O)F 22a_100000753323_100000070787 [0,1,0,0,0,1|2,0,0]=4 1996 B12R1.233 CC(=O)Nc1ccc(cc1O)F 271570a_203496583355_100011215554 [0,1,0,0,0,1|2,0,0]=4 1997 B12R1.233 CC(=O)Nc1ccc(cc1O)F 527a_100000753323_100103153847 [0,1,0,0,0,1|2,0,0]=4 1998 B12R1.233 CC(=O)Nc1ccc(cc1O)I 22a_100000057187_100000070787 [0,1,0,0,0,1|2,0,0]=4 1999 B12R1.233 CC(=O)Nc1ccc(cc1O)I 527a_100000057187_100103153847 [0,1,0,0,0,1|2,0,0]=4 2000 B12R1.233 CC(=O)Nc1ccc(cc1O)O 22a_100000106777_100000070787 [0,1,0,0,0,1|1,0,0]=3 2001 B12R1.233 CC(=O)Nc1ccc(cc1O)O 527a_100000106777_100103153847 [0,1,0,0,0,1|1,0,0]=3 2002 B12R1.233 CC(=O)Nc1ncc(cc1C)O 271570a_203496583355_200011934169 [0,1,0,0,0,1|2,0,0]=4 2003 B12R1.233 CC(=O)Oc1ccc(cc1F)O 271570a_203496583355_100009811628 [0,1,0,0,0,1|1,0,0]=3 2004 B12R1.233 Cc1cc(ccc1CC(=O)[13CH3])Br 1458a_100000697930_200025704644 [0,1,0,0,0,1|2,0,0]=4 2005 B12R1.233 Cc1cc(ccc1CC(=O)[13CH3])F 1458a_100011667441_200025704644 [0,1,0,0,0,1|2,0,0]=4 2006 B12R1.233 Cc1ccc(c(c1)C)CC(=O)[13CH3] 1458a_100011236500_200025704644 [0,1,0,0,0,1|2,0,0]=4 2007 B12R1.233 Cc1ccc(c(c1)F)CC(=O)[13CH3] 1458a_100000042674_200025704644 [0,1,0,0,0,1|2,0,0]=4 2008 B12R1.233 [13CH3]C(=O)Cc1ccc(cc1Br)Br 1458a_100010172832_200025704644 [0,1,0,0,0,1|2,0,0]=4 2009 B12R1.233 [13CH3]C(=O)Cc1ccc(cc1Br)Cl 1458a_100000755479_200025704644 [0,1,0,0,0,1|2,0,0]=4 2010 B12R1.233 [13CH3]C(=O)Cc1ccc(cc1Br)F 1458a_100000708238_200025704644 [0,1,0,0,0,1|2,0,0]=4 2011 B12R1.233 [13CH3]C(=O)Cc1ccc(cc1Br)O 1458a_100010176083_200025704644 [0,1,0,0,0,1|1,0,0]=3 2012 B12R1.233 [13CH3]C(=O)Cc1ccc(cc1Cl)Br 1458a_100012361378_200025704644 [0,1,0,0,0,1|2,0,0]=4 2013 B12R1.233 [13CH3]C(=O)Cc1ccc(cc1Cl)Cl 1458a_100000210926_200025704644 [0,1,0,0,0,1|2,0,0]=4 2014 B12R1.233 [13CH3]C(=O)Cc1ccc(cc1Cl)F 1458a_100000690284_200025704644 [0,1,0,0,0,1|2,0,0]=4 2015 B12R1.233 [13CH3]C(=O)Cc1ccc(cc1F)Br 1458a_100011295475_200025704644 [0,1,0,0,0,1|2,0,0]=4 2016 B12R1.233 [13CH3]C(=O)Cc1ccc(cc1F)Cl 1458a_100011830378_200025704644 [0,1,0,0,0,1|2,0,0]=4 2017 B12R1.233 [13CH3]C(=O)Cc1ccc(cc1F)F 1458a_100000684719_200025704644 [0,1,0,0,0,1|2,0,0]=4 2018 B12R1.233 [13CH3]C(=O)Cc1ccc(cc1F)I 1458a_100010149628_200025704644 [0,1,0,0,0,1|2,0,0]=4 2019 B12R1.233 [13CH3]C(=O)Cc1ccc(cc1F)O 1458a_100000090534_200025704644 [0,1,0,0,0,1|1,0,0]=3 2020 B12R1.233 [13CH3]C(=O)Cc1ccc(cc1O)Br 1458a_100000707504_200025704644 [0,1,0,0,0,1|2,0,0]=4 2021 B12R1.5 C#Cc1ccc(cc1)C(=O)CC 1458a_100011217615_100000210202 [0,2,0,0,0,0|2,0,0]=4 2022 B12R1.5 C#Cc1ccc(cc1)C(=O)CF 1458a_100011217615_100015361967 [0,2,0,0,0,0|2,0,0]=4 2023 B12R1.5 C#Cc1ccc(cc1)C(=O)NC 11a_106832991635_100011217615 [0,2,0,0,0,0|2,0,0]=4 2024 B12R1.5 C#Cc1ccc(cc1)C(=O)NC 1626a_100102657272_100011217615 [0,2,0,0,0,0|2,0,0]=4 2025 B12R1.5 C#Cc1ccc(cc1)C(=O)NC 240690a_100102657272_100011217615 [0,2,0,0,0,0|2,0,0]=4 2026 B12R1.5 C#Cc1ccc(cc1)C(=O)NC 527a_100102657272_100011217615 [0,2,0,0,0,0|2,0,0]=4 2027 B12R1.5 C=Cc1ccc(cc1)C(=O)C#N 271570a_100011290941_100009994572 [0,2,0,0,0,0|2,0,0]=4 2028 B12R1.5 C=Cc1ccc(cc1)C(=O)C=O 271570a_100011290941_100000725942 [0,2,0,0,0,0|1,0,1]=4 2029 B12R1.5 C=Cc1ccc(cc1)C(=O)CC 1458a_100000687532_100000210202 [0,2,0,0,0,0|2,0,0]=4 2030 B12R1.5 C=Cc1ccc(cc1)C(=O)CC 271570a_100011290941_100000211647 [0,2,0,0,0,0|2,0,0]=4 2031 B12R1.5 C=Cc1ccc(cc1)C(=O)CF 1458a_100000687532_100015361967 [0,2,0,0,0,0|2,0,0]=4 2032 B12R1.5 C=Cc1ccc(cc1)C(=O)CN 271570a_100011290941_100000017248 [0,2,0,0,0,0|2,0,0]=4 2033 B12R1.5 C=Cc1ccc(cc1)C(=O)CO 271570a_100011290941_100011219529 [0,2,0,0,0,0|1,0,0]=3 2034 B12R1.5 C=Cc1ccc(cc1)C(=O)NC 11a_106832991635_100000687532 [0,2,0,0,0,0|2,0,0]=4 2035 B12R1.5 C=Cc1ccc(cc1)C(=O)NC 1626a_100102657272_100000687532 [0,2,0,0,0,0|2,0,0]=4 2036 B12R1.5 C=Cc1ccc(cc1)C(=O)NC 240690a_100102657272_100000687532 [0,2,0,0,0,0|2,0,0]=4 2037 B12R1.5 C=Cc1ccc(cc1)C(=O)NC 271570a_100011290941_100000155074 [0,2,0,0,0,0|2,0,0]=4 2038 B12R1.5 C=Cc1ccc(cc1)C(=O)NC 527a_100102657272_100000687532 [0,2,0,0,0,0|2,0,0]=4 2039 B12R1.5 C=Cc1ccc(cc1)C(=O)NN 271570a_100011290941_100000183614 [0,2,0,0,0,0|2,0,0]=4 2040 B12R1.5 C=Cc1ccc(cc1)C(=O)OC 271570a_100011290941_100000150774 [0,2,0,0,0,0|1,0,0]=3 2041 B12R1.5 C=Cc1ccc(cn1)C(=O)OC 271570a_100011290941_100000733799 [0,2,0,0,0,0|2,0,0]=4 2042 B12R1.5 C=Cc1ccc(nc1)C(=O)OC 271570a_100011290941_100000690920 [0,2,0,0,0,0|2,0,0]=4 2043 B12R1.5 CC(=NO)c1ccc(cc1)O[13CH3] 34a_100000164205_200025704644 [0,2,0,0,0,0|1,0,0]=3 2044 B12R1.5 CCC(=O)c1ccc(cc1)C#N 1458a_100000210717_100000210202 [0,2,0,0,0,0|2,0,0]=4 2045 B12R1.5 CCC(=O)c1ccc(cc1)CC 1458a_100000211226_100000210202 [0,2,0,0,0,0|2,0,0]=4 2046 B12R1.5 CCC(=O)c1ccc(cc1)CO 1458a_100000183892_100000210202 [0,2,0,0,0,0|1,0,0]=3 2047 B12R1.5 CCC(=O)c1ccc(cc1)OC 1458a_100000184203_100000210202 [0,2,0,0,0,0|1,0,0]=3 2048 B12R1.5 CCC(=O)c1ccc(cc1)OC 34a_100000212119_200000210301 [0,2,0,0,0,0|1,0,0]=3 2049 B12R1.5 CCC(=O)c1ccc(cc1)OC 7a_100000212119_200000210301 [0,2,0,0,0,0|1,0,0]=3 2050 B12R1.5 CCC(=O)c1ccc(cc1)O[13CH3] 34a_100000212119_200025704644 [0,2,0,0,0,0|1,0,0]=3 2051 B12R1.5 CCC(=O)c1ccc(cc1)O[13CH3] 7a_100000212119_200025704644 [0,2,0,0,0,0|1,0,0]=3 2052 B12R1.5 CCC(=O)c1ccc(cc1)SC 1458a_100000189692_100000210202 [0,2,0,0,0,0|1,1,0]=4 2053 B12R1.5 CCC(=O)c1ccc(cc1)SC 62a_100000211647_200000210301 [0,2,0,0,0,0|1,1,0]=4 2054 B12R1.5 CCC(=O)c1ccc(cc1)SC 62a_200000210301_100000211647 [0,2,0,0,0,0|1,1,0]=4 2055 B12R1.5 CCC(=O)c1ccc(cc1)S[13CH3] 62a_100000211647_200025704644 [0,2,0,0,0,0|1,1,0]=4 2056 B12R1.5 CCC(=O)c1ccc(cc1)S[13CH3] 62a_200025704644_100000211647 [0,2,0,0,0,0|1,1,0]=4 2057 B12R1.5 CCc1ccc(cc1)C(=O)CF 1458a_100000211226_100015361967 [0,2,0,0,0,0|2,0,0]=4 2058 B12R1.5 CCc1ccc(cc1)C(=O)NC 11a_106832991635_100000211226 [0,2,0,0,0,0|2,0,0]=4 2059 B12R1.5 CCc1ccc(cc1)C(=O)NC 1626a_100102657272_100000211226 [0,2,0,0,0,0|2,0,0]=4 2060 B12R1.5 CCc1ccc(cc1)C(=O)NC 240690a_100102657272_100000211226 [0,2,0,0,0,0|2,0,0]=4 2061 B12R1.5 CCc1ccc(cc1)C(=O)NC 527a_100102657272_100000211226 [0,2,0,0,0,0|2,0,0]=4 2062 B12R1.5 CNC(=O)c1ccc(cc1)C#N 11a_106832991635_100000210717 [0,2,0,0,0,0|2,0,0]=4 2063 B12R1.5 CNC(=O)c1ccc(cc1)C#N 1626a_100102657272_100000210717 [0,2,0,0,0,0|2,0,0]=4 2064 B12R1.5 CNC(=O)c1ccc(cc1)C#N 240690a_100102657272_100000210717 [0,2,0,0,0,0|2,0,0]=4 2065 B12R1.5 CNC(=O)c1ccc(cc1)C#N 527a_100102657272_100000210717 [0,2,0,0,0,0|2,0,0]=4 2066 B12R1.5 CNC(=O)c1ccc(cc1)CO 1626a_100102657272_100000183892 [0,2,0,0,0,0|1,0,0]=3 2067 B12R1.5 CNC(=O)c1ccc(cc1)CO 240690a_100102657272_100000183892 [0,2,0,0,0,0|1,0,0]=3 2068 B12R1.5 CNC(=O)c1ccc(cc1)NC 2230a_100000184841_200000210301 [0,2,0,0,0,0|2,0,0]=4 2069 B12R1.5 CNC(=O)c1ccc(cc1)NC 27a_100102657272_100000155074 [0,2,0,0,0,0|2,0,0]=4 2070 B12R1.5 CNC(=O)c1ccc(cc1)NC 34a_100000184841_200000210301 [0,2,0,0,0,0|2,0,0]=4 2071 B12R1.5 CNC(=O)c1ccc(cc1)N[13CH3] 2230a_100000184841_200025704644 [0,2,0,0,0,0|2,0,0]=4 2072 B12R1.5 CNC(=O)c1ccc(cc1)N[13CH3] 34a_100000184841_200025704644 [0,2,0,0,0,0|2,0,0]=4 2073 B12R1.5 CNC(=O)c1ccc(cc1)OC 11a_106832991635_100000184203 [0,2,0,0,0,0|1,0,0]=3 2074 B12R1.5 CNC(=O)c1ccc(cc1)OC 1626a_100102657272_100000184203 [0,2,0,0,0,0|1,0,0]=3 2075 B12R1.5 CNC(=O)c1ccc(cc1)OC 240690a_100102657272_100000184203 [0,2,0,0,0,0|1,0,0]=3 2076 B12R1.5 CNC(=O)c1ccc(cc1)OC 34a_100000192141_200000210301 [0,2,0,0,0,0|1,0,0]=3 2077 B12R1.5 CNC(=O)c1ccc(cc1)OC 527a_100102657272_100000184203 [0,2,0,0,0,0|1,0,0]=3 2078 B12R1.5 CNC(=O)c1ccc(cc1)OC 7a_100000192141_200000210301 [0,2,0,0,0,0|1,0,0]=3 2079 B12R1.5 CNC(=O)c1ccc(cc1)O[13CH3] 34a_100000192141_200025704644 [0,2,0,0,0,0|1,0,0]=3 2080 B12R1.5 CNC(=O)c1ccc(cc1)O[13CH3] 7a_100000192141_200025704644 [0,2,0,0,0,0|1,0,0]=3 2081 B12R1.5 CNC(=O)c1ccc(cc1)SC 11a_106832991635_100000189692 [0,2,0,0,0,0|1,1,0]=4 2082 B12R1.5 CNC(=O)c1ccc(cc1)SC 1626a_100102657272_100000189692 [0,2,0,0,0,0|1,1,0]=4 2083 B12R1.5 CNC(=O)c1ccc(cc1)SC 240690a_100102657272_100000189692 [0,2,0,0,0,0|1,1,0]=4 2084 B12R1.5 CNC(=O)c1ccc(cc1)SC 527a_100102657272_100000189692 [0,2,0,0,0,0|1,1,0]=4 2085 B12R1.5 CNC(=O)c1ccc(cc1)SC 62a_100000155074_200000210301 [0,2,0,0,0,0|1,1,0]=4 2086 B12R1.5 CNC(=O)c1ccc(cc1)SC 62a_200000210301_100000155074 [0,2,0,0,0,0|1,1,0]=4 2087 B12R1.5 CNC(=O)c1ccc(cc1)S[13CH3] 62a_100000155074_200025704644 [0,2,0,0,0,0|1,1,0]=4 2088 B12R1.5 CNC(=O)c1ccc(cc1)S[13CH3] 62a_200025704644_100000155074 [0,2,0,0,0,0|1,1,0]=4 2089 B12R1.5 CNC(=O)c1ccc(cn1)OC 34a_100009861314_200000210301 [0,2,0,0,0,0|2,0,0]=4 2090 B12R1.5 CNC(=O)c1ccc(cn1)OC 7a_100009861314_200000210301 [0,2,0,0,0,0|2,0,0]=4 2091 B12R1.5 CNC(=O)c1ccc(cn1)O[13CH3] 34a_100009861314_200025704644 [0,2,0,0,0,0|2,0,0]=4 2092 B12R1.5 CNC(=O)c1ccc(cn1)O[13CH3] 7a_100009861314_200025704644 [0,2,0,0,0,0|2,0,0]=4 2093 B12R1.5 CNc1ccc(cc1)C(=O)NN 27a_100102657272_100000183614 [0,2,0,0,0,0|2,0,0]=4 2094 B12R1.5 CNc1ccc(cn1)C(=O)OC 27a_100102657272_100000733799 [0,2,0,0,0,0|2,0,0]=4 2095 B12R1.5 COC(=O)c1ccc(cc1)OC 34a_100000150123_200000210301 [0,2,0,0,0,0|0,0,0]=2 2096 B12R1.5 COC(=O)c1ccc(cc1)OC 7a_100000150123_200000210301 [0,2,0,0,0,0|0,0,0]=2 2097 B12R1.5 COC(=O)c1ccc(cc1)O[13CH3] 34a_100000150123_200025704644 [0,2,0,0,0,0|0,0,0]=2 2098 B12R1.5 COC(=O)c1ccc(cc1)O[13CH3] 7a_100000150123_200025704644 [0,2,0,0,0,0|0,0,0]=2 2099 B12R1.5 COC(=O)c1ccc(cc1)SC 62a_100000150774_200000210301 [0,2,0,0,0,0|0,1,0]=3 2100 B12R1.5 COC(=O)c1ccc(cc1)SC 62a_200000210301_100000150774 [0,2,0,0,0,0|0,1,0]=3 2101 B12R1.5 COC(=O)c1ccc(cc1)S[13CH3] 62a_100000150774_200025704644 [0,2,0,0,0,0|0,1,0]=3 2102 B12R1.5 COC(=O)c1ccc(cc1)S[13CH3] 62a_200025704644_100000150774 [0,2,0,0,0,0|0,1,0]=3 2103 B12R1.5 COC(=O)c1ccc(cn1)OC 34a_100011997255_200000210301 [0,2,0,0,0,0|1,0,0]=3 2104 B12R1.5 COC(=O)c1ccc(cn1)OC 7a_100011997255_200000210301 [0,2,0,0,0,0|1,0,0]=3 2105 B12R1.5 COC(=O)c1ccc(cn1)O[13CH3] 34a_100011997255_200025704644 [0,2,0,0,0,0|1,0,0]=3 2106 B12R1.5 COC(=O)c1ccc(cn1)O[13CH3] 7a_100011997255_200025704644 [0,2,0,0,0,0|1,0,0]=3 2107 B12R1.5 COC(=O)c1ccc(cn1)SC 62a_100102712061_200000210301 [0,2,0,0,0,0|1,1,0]=4 2108 B12R1.5 COC(=O)c1ccc(cn1)SC 62a_200000210301_100102712061 [0,2,0,0,0,0|1,1,0]=4 2109 B12R1.5 COC(=O)c1ccc(cn1)S[13CH3] 62a_100102712061_200025704644 [0,2,0,0,0,0|1,1,0]=4 2110 B12R1.5 COC(=O)c1ccc(cn1)S[13CH3] 62a_200025704644_100102712061 [0,2,0,0,0,0|1,1,0]=4 2111 B12R1.5 COC(=O)c1ccc(nc1)SC 62a_100000733799_200000210301 [0,2,0,0,0,0|1,1,0]=4 2112 B12R1.5 COC(=O)c1ccc(nc1)SC 62a_200000210301_100000733799 [0,2,0,0,0,0|1,1,0]=4 2113 B12R1.5 COC(=O)c1ccc(nc1)S[13CH3] 62a_100000733799_200025704644 [0,2,0,0,0,0|1,1,0]=4 2114 B12R1.5 COC(=O)c1ccc(nc1)S[13CH3] 62a_200025704644_100000733799 [0,2,0,0,0,0|1,1,0]=4 2115 B12R1.5 COC(C)c1ccc(cc1)O[13CH3] 34a_200010658654_200025704644 [0,2,0,0,0,0|1,0,1]=4 2116 B12R1.5 COC(C)c1ccc(cc1)O[13CH3] 7a_200010658654_200025704644 [0,2,0,0,0,0|1,0,1]=4 2117 B12R1.5 COc1ccc(cc1)C(=NO)C 34a_100000164205_200000210301 [0,2,0,0,0,0|1,0,0]=3 2118 B12R1.5 COc1ccc(cc1)C(=NO)N 34a_100000231063_200000210301 [0,2,0,0,0,0|1,0,0]=3 2119 B12R1.5 COc1ccc(cc1)C(=O)CBr 7a_100009814261_200000210301 [0,2,0,0,0,0|1,0,0]=3 2120 B12R1.5 COc1ccc(cc1)C(=O)CCl 7a_100000018856_200000210301 [0,2,0,0,0,0|1,0,0]=3 2121 B12R1.5 COc1ccc(cc1)C(=O)CF 1458a_100000184203_100015361967 [0,2,0,0,0,0|1,0,0]=3 2122 B12R1.5 COc1ccc(cc1)C(=O)CF 34a_200010654591_200000210301 [0,2,0,0,0,0|1,0,0]=3 2123 B12R1.5 COc1ccc(cc1)C(=O)CF 7a_200010654591_200000210301 [0,2,0,0,0,0|1,0,0]=3 2124 B12R1.5 COc1ccc(cc1)C(=O)NN 34a_100000185078_200000210301 [0,2,0,0,0,0|1,0,0]=3 2125 B12R1.5 COc1ccc(cc1)C(C)OC 34a_100000742907_200000210301 [0,2,0,0,0,0|1,0,1]=4 2126 B12R1.5 COc1ccc(cc1)C(C)OC 34a_200010658654_200000210301 [0,2,0,0,0,0|1,0,1]=4 2127 B12R1.5 COc1ccc(cc1)C(C)OC 7a_100000742907_200000210301 [0,2,0,0,0,0|1,0,1]=4 2128 B12R1.5 COc1ccc(cc1)C(C)OC 7a_200010658654_200000210301 [0,2,0,0,0,0|1,0,1]=4 2129 B12R1.5 COc1ccc(cc1)C(C)O[13CH3] 34a_100000742907_200025704644 [0,2,0,0,0,0|1,0,1]=4 2130 B12R1.5 COc1ccc(cc1)C(C)O[13CH3] 7a_100000742907_200025704644 [0,2,0,0,0,0|1,0,1]=4 2131 B12R1.5 COc1ccc(cc1)C(O)CN 34a_100000067596_200000210301 [0,2,0,0,0,0|1,0,1]=4 2132 B12R1.5 CSc1ccc(cc1)C(=O)C#N 62a_200000210301_100009994572 [0,2,0,0,0,0|1,1,0]=4 2133 B12R1.5 CSc1ccc(cc1)C(=O)C=O 62a_100000725942_200000210301 [0,2,0,0,0,0|0,1,1]=4 2134 B12R1.5 CSc1ccc(cc1)C(=O)C=O 62a_200000210301_100000725942 [0,2,0,0,0,0|0,1,1]=4 2135 B12R1.5 CSc1ccc(cc1)C(=O)CF 1458a_100000189692_100015361967 [0,2,0,0,0,0|1,1,0]=4 2136 B12R1.5 CSc1ccc(cc1)C(=O)CN 62a_100000017248_200000210301 [0,2,0,0,0,0|1,1,0]=4 2137 B12R1.5 CSc1ccc(cc1)C(=O)CN 62a_200000210301_100000017248 [0,2,0,0,0,0|1,1,0]=4 2138 B12R1.5 CSc1ccc(cc1)C(=O)CO 62a_100011219529_200000210301 [0,2,0,0,0,0|0,1,0]=3 2139 B12R1.5 CSc1ccc(cc1)C(=O)CO 62a_200000210301_100011219529 [0,2,0,0,0,0|0,1,0]=3 2140 B12R1.5 CSc1ccc(cc1)C(=O)NN 62a_100000183614_200000210301 [0,2,0,0,0,0|1,1,0]=4 2141 B12R1.5 CSc1ccc(cc1)C(=O)NN 62a_200000210301_100000183614 [0,2,0,0,0,0|1,1,0]=4 2142 B12R1.5 N#Cc1ccc(cc1)C(=O)CF 1458a_100000210717_100015361967 [0,2,0,0,0,0|2,0,0]=4 2143 B12R1.5 O=C(CF)c1ccc(cc1)CO 1458a_100000183892_100015361967 [0,2,0,0,0,0|1,0,0]=3 2144 B12R1.5 [13CH3]Oc1ccc(cc1)C(=NO)N 34a_100000231063_200025704644 [0,2,0,0,0,0|1,0,0]=3 2145 B12R1.5 [13CH3]Oc1ccc(cc1)C(=O)CBr 7a_100009814261_200025704644 [0,2,0,0,0,0|1,0,0]=3 2146 B12R1.5 [13CH3]Oc1ccc(cc1)C(=O)CCl 7a_100000018856_200025704644 [0,2,0,0,0,0|1,0,0]=3 2147 B12R1.5 [13CH3]Oc1ccc(cc1)C(=O)CF 34a_200010654591_200025704644 [0,2,0,0,0,0|1,0,0]=3 2148 B12R1.5 [13CH3]Oc1ccc(cc1)C(=O)CF 7a_200010654591_200025704644 [0,2,0,0,0,0|1,0,0]=3 2149 B12R1.5 [13CH3]Oc1ccc(cc1)C(=O)NN 34a_100000185078_200025704644 [0,2,0,0,0,0|1,0,0]=3 2150 B12R1.5 [13CH3]Oc1ccc(cc1)C(O)CN 34a_100000067596_200025704644 [0,2,0,0,0,0|1,0,1]=4 2151 B12R1.5 [13CH3]Sc1ccc(cc1)C(=O)C#N 62a_200025704644_100009994572 [0,2,0,0,0,0|1,1,0]=4 2152 B12R1.5 [13CH3]Sc1ccc(cc1)C(=O)C=O 62a_100000725942_200025704644 [0,2,0,0,0,0|0,1,1]=4 2153 B12R1.5 [13CH3]Sc1ccc(cc1)C(=O)C=O 62a_200025704644_100000725942 [0,2,0,0,0,0|0,1,1]=4 2154 B12R1.5 [13CH3]Sc1ccc(cc1)C(=O)CN 62a_100000017248_200025704644 [0,2,0,0,0,0|1,1,0]=4 2155 B12R1.5 [13CH3]Sc1ccc(cc1)C(=O)CN 62a_200025704644_100000017248 [0,2,0,0,0,0|1,1,0]=4 2156 B12R1.5 [13CH3]Sc1ccc(cc1)C(=O)CO 62a_100011219529_200025704644 [0,2,0,0,0,0|0,1,0]=3 2157 B12R1.5 [13CH3]Sc1ccc(cc1)C(=O)CO 62a_200025704644_100011219529 [0,2,0,0,0,0|0,1,0]=3 2158 B12R1.5 [13CH3]Sc1ccc(cc1)C(=O)NN 62a_100000183614_200025704644 [0,2,0,0,0,0|1,1,0]=4 2159 B12R1.5 [13CH3]Sc1ccc(cc1)C(=O)NN 62a_200025704644_100000183614 [0,2,0,0,0,0|1,1,0]=4 2160 B12R1.6 CC(C)(O)c1ccc(cc1)O[13CH3] 34a_100000695648_200025704644 [0,2,0,0,0,0|1,0,1]=4 2161 B12R1.6 CC(C)(O)c1ccc(cc1)O[13CH3] 7a_100000695648_200025704644 [0,2,0,0,0,0|1,0,1]=4 2162 B12R1.6 COc1ccc(cc1)C(C)(C)O 34a_100000695648_200000210301 [0,2,0,0,0,0|1,0,1]=4 2163 B12R1.6 COc1ccc(cc1)C(C)(C)O 7a_100000695648_200000210301 [0,2,0,0,0,0|1,0,1]=4 2164 B12R1.6 COc1ccc(cc1)S(=O)(=O)C 34a_100000230201_200000210301 [0,2,0,0,0,0|1,0,1]=4 2165 B12R1.6 COc1ccc(cc1)S(=O)(=O)C 7a_100000230201_200000210301 [0,2,0,0,0,0|1,0,1]=4 2166 B12R1.6 COc1ccc(cc1)S(=O)(=O)N 34a_100000738502_200000210301 [0,2,0,0,0,0|1,0,1]=4 2167 B12R1.6 COc1ccc(cc1)S(=O)(=O)N 7a_100000738502_200000210301 [0,2,0,0,0,0|1,0,1]=4 2168 B12R1.6 COc1ccc(cc1)S(=O)(=O)[O-] 7a_100000698548_200000210301 [0,2,0,0,0,0|1,0,1]=4 2169 B12R1.6 CS(=O)(=O)c1ccc(cc1)O[13CH3] 34a_100000230201_200025704644 [0,2,0,0,0,0|1,0,1]=4 2170 B12R1.6 CS(=O)(=O)c1ccc(cc1)O[13CH3] 7a_100000230201_200025704644 [0,2,0,0,0,0|1,0,1]=4 2171 B12R1.6 [13CH3]Oc1ccc(cc1)S(=O)(=O)N 34a_100000738502_200025704644 [0,2,0,0,0,0|1,0,1]=4 2172 B12R1.6 [13CH3]Oc1ccc(cc1)S(=O)(=O)N 7a_100000738502_200025704644 [0,2,0,0,0,0|1,0,1]=4 2173 B12R1.6 [13CH3]Oc1ccc(cc1)S(=O)(=O)[O-] 7a_100000698548_200025704644 [0,2,0,0,0,0|1,0,1]=4 2174 B12R1.48 C#Cc1ccc(cc1C)C(=O)C 1458a_100013243528_200000210301 [0,2,0,0,0,0|2,0,0]=4 2175 B12R1.48 C#Cc1ccc(cc1C)C(=O)[13CH3] 1458a_100013243528_200025704644 [0,2,0,0,0,0|2,0,0]=4 2176 B12R1.48 C#Cc1ccc(cc1Cl)C(=O)C 1458a_100014797261_200000210301 [0,2,0,0,0,0|2,0,0]=4 2177 B12R1.48 C#Cc1ccc(cc1Cl)C(=O)[13CH3] 1458a_100014797261_200025704644 [0,2,0,0,0,0|2,0,0]=4 2178 B12R1.48 C=C(C)c1ccc(c(c1)Br)CO 271570a_100000694244_100010240206 [0,2,0,0,0,0|2,0,0]=4 2179 B12R1.48 C=C(C)c1ccc(c(c1)Br)OC 271570a_100000694244_100011249507 [0,2,0,0,0,0|2,0,0]=4 2180 B12R1.48 C=C(C)c1ccc(c(c1)C)CO 271570a_100000694244_100000748258 [0,2,0,0,0,0|2,0,0]=4 2181 B12R1.48 C=C(C)c1ccc(c(c1)C)OC 271570a_100000694244_100011219705 [0,2,0,0,0,0|2,0,0]=4 2182 B12R1.48 C=C(C)c1ccc(c(c1)Cl)OC 271570a_100000694244_100012355395 [0,2,0,0,0,0|2,0,0]=4 2183 B12R1.48 C=C(C)c1ccc(c(c1)F)CO 271570a_100000694244_100011191541 [0,2,0,0,0,0|2,0,0]=4 2184 B12R1.48 C=C(C)c1ccc(c(c1)F)OC 271570a_100000694244_100000185480 [0,2,0,0,0,0|2,0,0]=4 2185 B12R1.48 C=C(C)c1ccc(c(c1)N)CO 271570a_100000694244_100000718831 [0,2,0,0,0,0|2,0,0]=4 2186 B12R1.48 C=C(C)c1ccc(c(c1)N)OC 271570a_100000694244_100000743470 [0,2,0,0,0,0|2,0,0]=4 2187 B12R1.48 C=C(C)c1ccc(c(c1)O)CO 271570a_100000694244_100000071718 [0,2,0,0,0,0|2,0,0]=4 2188 B12R1.48 C=C(C)c1ccc(c(c1)O)OC 271570a_100000694244_100009816560 [0,2,0,0,0,0|2,0,0]=4 2189 B12R1.48 C=Cc1ccc(cc1Br)C(=O)C 271570a_100011290941_100010146554 [0,2,0,0,0,0|2,0,0]=4 2190 B12R1.48 C=Cc1ccc(cc1Br)C(=O)N 271570a_100011290941_100009814583 [0,2,0,0,0,0|2,0,0]=4 2191 B12R1.48 C=Cc1ccc(cc1C)C(=O)C 271570a_100011290941_100000697869 [0,2,0,0,0,0|2,0,0]=4 2192 B12R1.48 C=Cc1ccc(cc1C)C(=O)N 271570a_100011290941_100011218126 [0,2,0,0,0,0|2,0,0]=4 2193 B12R1.48 C=Cc1ccc(cc1F)C(=O)C 271570a_100011290941_100000690002 [0,2,0,0,0,0|2,0,0]=4 2194 B12R1.48 C=Cc1ccc(cc1F)C(=O)N 271570a_100011290941_100000686215 [0,2,0,0,0,0|2,0,0]=4 2195 B12R1.48 C=Cc1ccc(cc1N)C(=O)C 271570a_100011290941_100009816534 [0,2,0,0,0,0|2,0,0]=4 2196 B12R1.48 C=Cc1ccc(cc1O)C(=O)N 271570a_100011290941_100012344895 [0,2,0,0,0,0|2,0,0]=4 2197 B12R1.48 CC(=O)c1ccc(c(c1)Br)C#N 1458a_100012355661_200000210301 [0,2,0,0,0,0|2,0,0]=4 2198 B12R1.48 CC(=O)c1ccc(c(c1)Br)O[13CH3] 34a_100011772453_200025704644 [0,2,0,0,0,0|1,0,0]=3 2199 B12R1.48 CC(=O)c1ccc(c(c1)Br)O[13CH3] 7a_100011772453_200025704644 [0,2,0,0,0,0|1,0,0]=3 2200 B12R1.48 CC(=O)c1ccc(c(c1)Br)S[13CH3] 62a_100010146554_200025704644 [0,2,0,0,0,0|1,1,0]=4 2201 B12R1.48 CC(=O)c1ccc(c(c1)Br)S[13CH3] 62a_200025704644_100010146554 [0,2,0,0,0,0|1,1,0]=4 2202 B12R1.48 CC(=O)c1ccc(c(c1)C)C#N 1458a_100012180287_200000210301 [0,2,0,0,0,0|2,0,0]=4 2203 B12R1.48 CC(=O)c1ccc(c(c1)C)O[13CH3] 34a_100000188726_200025704644 [0,2,0,0,0,0|1,0,0]=3 2204 B12R1.48 CC(=O)c1ccc(c(c1)C)O[13CH3] 7a_100000188726_200025704644 [0,2,0,0,0,0|1,0,0]=3 2205 B12R1.48 CC(=O)c1ccc(c(c1)C)S[13CH3] 62a_100000697869_200025704644 [0,2,0,0,0,0|1,1,0]=4 2206 B12R1.48 CC(=O)c1ccc(c(c1)C)S[13CH3] 62a_200025704644_100000697869 [0,2,0,0,0,0|1,1,0]=4 2207 B12R1.48 CC(=O)c1ccc(c(c1)Cl)C#N 1458a_100000694585_200000210301 [0,2,0,0,0,0|2,0,0]=4 2208 B12R1.48 CC(=O)c1ccc(c(c1)Cl)O[13CH3] 34a_100000188625_200025704644 [0,2,0,0,0,0|1,0,0]=3 2209 B12R1.48 CC(=O)c1ccc(c(c1)Cl)O[13CH3] 7a_100000188625_200025704644 [0,2,0,0,0,0|1,0,0]=3 2210 B12R1.48 CC(=O)c1ccc(c(c1)F)C#N 1458a_100011217213_200000210301 [0,2,0,0,0,0|2,0,0]=4 2211 B12R1.48 CC(=O)c1ccc(c(c1)F)CO 1458a_100000687192_200000210301 [0,2,0,0,0,0|1,0,0]=3 2212 B12R1.48 CC(=O)c1ccc(c(c1)F)O[13CH3] 34a_100000751691_200025704644 [0,2,0,0,0,0|1,0,0]=3 2213 B12R1.48 CC(=O)c1ccc(c(c1)F)O[13CH3] 7a_100000751691_200025704644 [0,2,0,0,0,0|1,0,0]=3 2214 B12R1.48 CC(=O)c1ccc(c(c1)F)S[13CH3] 62a_100000690002_200025704644 [0,2,0,0,0,0|1,1,0]=4 2215 B12R1.48 CC(=O)c1ccc(c(c1)F)S[13CH3] 62a_200025704644_100000690002 [0,2,0,0,0,0|1,1,0]=4 2216 B12R1.48 CC(=O)c1ccc(c(c1)N)O[13CH3] 34a_100000117292_200025704644 [0,2,0,0,0,0|1,0,0]=3 2217 B12R1.48 CC(=O)c1ccc(c(c1)N)O[13CH3] 7a_100000117292_200025704644 [0,2,0,0,0,0|1,0,0]=3 2218 B12R1.48 CC(=O)c1ccc(c(c1)N)S[13CH3] 62a_100009816534_200025704644 [0,2,0,0,0,0|1,1,0]=4 2219 B12R1.48 CCc1ccc(cc1Br)C(=O)C 1458a_100012340589_200000210301 [0,2,0,0,0,0|2,0,0]=4 2220 B12R1.48 CCc1ccc(cc1Br)C(=O)[13CH3] 1458a_100012340589_200025704644 [0,2,0,0,0,0|2,0,0]=4 2221 B12R1.48 CCc1ccc(cc1O)C(=O)C 1458a_100000089006_200000210301 [0,2,0,0,0,0|2,0,0]=4 2222 B12R1.48 CCc1ccc(cc1O)C(=O)[13CH3] 1458a_100000089006_200025704644 [0,2,0,0,0,0|2,0,0]=4 2223 B12R1.48 CNc1ccc(cc1Br)C(=O)N 27a_100102657272_100009814583 [0,2,0,0,0,0|2,0,0]=4 2224 B12R1.48 CNc1ccc(cc1C)C(=O)N 27a_100102657272_100011218126 [0,2,0,0,0,0|2,0,0]=4 2225 B12R1.48 CNc1ccc(cc1C)C(=O)N 34a_100000746439_200000210301 [0,2,0,0,0,0|2,0,0]=4 2226 B12R1.48 CNc1ccc(cc1C)C(=O)N 7a_100000746439_200000210301 [0,2,0,0,0,0|2,0,0]=4 2227 B12R1.48 CNc1ccc(cc1F)C(=O)N 27a_100102657272_100000686215 [0,2,0,0,0,0|2,0,0]=4 2228 B12R1.48 COc1ccc(cc1Br)C(=O)C 1458a_100000187947_200000210301 [0,2,0,0,0,0|1,0,0]=3 2229 B12R1.48 COc1ccc(cc1Br)C(=O)C 34a_100011772453_200000210301 [0,2,0,0,0,0|1,0,0]=3 2230 B12R1.48 COc1ccc(cc1Br)C(=O)C 7a_100011772453_200000210301 [0,2,0,0,0,0|1,0,0]=3 2231 B12R1.48 COc1ccc(cc1Br)C(=O)[13CH3] 1458a_100000187947_200025704644 [0,2,0,0,0,0|1,0,0]=3 2232 B12R1.48 COc1ccc(cc1Br)[N+](=O)[O-] 34a_100000756651_200000210301 [0,2,0,0,0,0|1,0,1]=4 2233 B12R1.48 COc1ccc(cc1Br)[N+](=O)[O-] 7a_100000756651_200000210301 [0,2,0,0,0,0|1,0,1]=4 2234 B12R1.48 COc1ccc(cc1C)C(=O)C 1458a_100011202886_200000210301 [0,2,0,0,0,0|1,0,0]=3 2235 B12R1.48 COc1ccc(cc1C)C(=O)C 34a_100000188726_200000210301 [0,2,0,0,0,0|1,0,0]=3 2236 B12R1.48 COc1ccc(cc1C)C(=O)C 7a_100000188726_200000210301 [0,2,0,0,0,0|1,0,0]=3 2237 B12R1.48 COc1ccc(cc1C)C(=O)[13CH3] 1458a_100011202886_200025704644 [0,2,0,0,0,0|1,0,0]=3 2238 B12R1.48 COc1ccc(cc1C)[N+](=O)[O-] 34a_100000744956_200000210301 [0,2,0,0,0,0|1,0,1]=4 2239 B12R1.48 COc1ccc(cc1C)[N+](=O)[O-] 7a_100000744956_200000210301 [0,2,0,0,0,0|1,0,1]=4 2240 B12R1.48 COc1ccc(cc1Cl)C(=O)C 1458a_100000188346_200000210301 [0,2,0,0,0,0|1,0,0]=3 2241 B12R1.48 COc1ccc(cc1Cl)C(=O)C 34a_100000188625_200000210301 [0,2,0,0,0,0|1,0,0]=3 2242 B12R1.48 COc1ccc(cc1Cl)C(=O)C 7a_100000188625_200000210301 [0,2,0,0,0,0|1,0,0]=3 2243 B12R1.48 COc1ccc(cc1Cl)C(=O)N 34a_200000192832_200000210301 [0,2,0,0,0,0|1,0,0]=3 2244 B12R1.48 COc1ccc(cc1Cl)C(=O)N 7a_200000192832_200000210301 [0,2,0,0,0,0|1,0,0]=3 2245 B12R1.48 COc1ccc(cc1Cl)C(=O)[13CH3] 1458a_100000188346_200025704644 [0,2,0,0,0,0|1,0,0]=3 2246 B12R1.48 COc1ccc(cc1Cl)[N+](=O)[O-] 34a_100000206008_200000210301 [0,2,0,0,0,0|1,0,1]=4 2247 B12R1.48 COc1ccc(cc1Cl)[N+](=O)[O-] 7a_100000206008_200000210301 [0,2,0,0,0,0|1,0,1]=4 2248 B12R1.48 COc1ccc(cc1F)C(=O)C 1458a_100000186160_200000210301 [0,2,0,0,0,0|1,0,0]=3 2249 B12R1.48 COc1ccc(cc1F)C(=O)C 34a_100000751691_200000210301 [0,2,0,0,0,0|1,0,0]=3 2250 B12R1.48 COc1ccc(cc1F)C(=O)C 7a_100000751691_200000210301 [0,2,0,0,0,0|1,0,0]=3 2251 B12R1.48 COc1ccc(cc1F)C(=O)[13CH3] 1458a_100000186160_200025704644 [0,2,0,0,0,0|1,0,0]=3 2252 B12R1.48 COc1ccc(cc1F)[N+](=O)[O-] 34a_100000739697_200000210301 [0,2,0,0,0,0|1,0,1]=4 2253 B12R1.48 COc1ccc(cc1F)[N+](=O)[O-] 7a_100000739697_200000210301 [0,2,0,0,0,0|1,0,1]=4 2254 B12R1.48 COc1ccc(cc1I)C(=O)C 1458a_100000188716_200000210301 [0,2,0,0,0,0|1,0,0]=3 2255 B12R1.48 COc1ccc(cc1I)C(=O)[13CH3] 1458a_100000188716_200025704644 [0,2,0,0,0,0|1,0,0]=3 2256 B12R1.48 COc1ccc(cc1I)[N+](=O)[O-] 34a_100012047213_200000210301 [0,2,0,0,0,0|1,0,1]=4 2257 B12R1.48 COc1ccc(cc1I)[N+](=O)[O-] 7a_100012047213_200000210301 [0,2,0,0,0,0|1,0,1]=4 2258 B12R1.48 COc1ccc(cc1N)C(=O)C 34a_100000117292_200000210301 [0,2,0,0,0,0|1,0,0]=3 2259 B12R1.48 COc1ccc(cc1N)C(=O)C 7a_100000117292_200000210301 [0,2,0,0,0,0|1,0,0]=3 2260 B12R1.48 COc1ccc(cc1N)[N+](=O)[O-] 34a_100000181223_200000210301 [0,2,0,0,0,0|1,0,1]=4 2261 B12R1.48 COc1ccc(cc1N)[N+](=O)[O-] 7a_100000181223_200000210301 [0,2,0,0,0,0|1,0,1]=4 2262 B12R1.48 COc1ccc(cc1O)C(=O)C 1458a_100000766810_200000210301 [0,2,0,0,0,0|1,0,0]=3 2263 B12R1.48 COc1ccc(cc1O)C(=O)C 271570a_203496583355_100000185153 [0,2,0,0,0,0|1,0,0]=3 2264 B12R1.48 COc1ccc(cc1O)C(=O)[13CH3] 1458a_100000766810_200025704644 [0,2,0,0,0,0|1,0,0]=3 2265 B12R1.48 COc1ccc(cc1O)C(C)O 271570a_203496583355_100000246541 [0,2,0,0,0,0|1,0,1]=4 2266 B12R1.48 CSc1ccc(cc1Br)C(=O)C 62a_100010146554_200000210301 [0,2,0,0,0,0|1,1,0]=4 2267 B12R1.48 CSc1ccc(cc1Br)C(=O)C 62a_200000210301_100010146554 [0,2,0,0,0,0|1,1,0]=4 2268 B12R1.48 CSc1ccc(cc1Br)C(=O)N 62a_100009814583_200000210301 [0,2,0,0,0,0|1,1,0]=4 2269 B12R1.48 CSc1ccc(cc1Br)C(=O)N 62a_200000210301_100009814583 [0,2,0,0,0,0|1,1,0]=4 2270 B12R1.48 CSc1ccc(cc1C)C(=O)C 62a_100000697869_200000210301 [0,2,0,0,0,0|1,1,0]=4 2271 B12R1.48 CSc1ccc(cc1C)C(=O)C 62a_200000210301_100000697869 [0,2,0,0,0,0|1,1,0]=4 2272 B12R1.48 CSc1ccc(cc1C)C(=O)N 62a_100011218126_200000210301 [0,2,0,0,0,0|1,1,0]=4 2273 B12R1.48 CSc1ccc(cc1C)C(=O)N 62a_200000210301_100011218126 [0,2,0,0,0,0|1,1,0]=4 2274 B12R1.48 CSc1ccc(cc1F)C(=O)C 62a_100000690002_200000210301 [0,2,0,0,0,0|1,1,0]=4 2275 B12R1.48 CSc1ccc(cc1F)C(=O)C 62a_200000210301_100000690002 [0,2,0,0,0,0|1,1,0]=4 2276 B12R1.48 CSc1ccc(cc1F)C(=O)N 62a_100000686215_200000210301 [0,2,0,0,0,0|1,1,0]=4 2277 B12R1.48 CSc1ccc(cc1F)C(=O)N 62a_200000210301_100000686215 [0,2,0,0,0,0|1,1,0]=4 2278 B12R1.48 CSc1ccc(cc1N)C(=O)C 62a_100009816534_200000210301 [0,2,0,0,0,0|1,1,0]=4 2279 B12R1.48 CSc1ccc(cc1O)C(=O)N 62a_100012344895_200000210301 [0,2,0,0,0,0|1,1,0]=4 2280 B12R1.48 CSc1ccc(cc1O)C(=O)N 62a_200000210301_100012344895 [0,2,0,0,0,0|1,1,0]=4 2281 B12R1.48 Cc1cc(ccc1C#N)C(=O)[13CH3] 1458a_100012180287_200025704644 [0,2,0,0,0,0|2,0,0]=4 2282 B12R1.48 Cc1cc(ccc1N[13CH3])C(=O)N 34a_100000746439_200025704644 [0,2,0,0,0,0|2,0,0]=4 2283 B12R1.48 Cc1cc(ccc1N[13CH3])C(=O)N 7a_100000746439_200025704644 [0,2,0,0,0,0|2,0,0]=4 2284 B12R1.48 Cc1cc(ccc1O[13CH3])[N+](=O)[O-] 34a_100000744956_200025704644 [0,2,0,0,0,0|1,0,1]=4 2285 B12R1.48 Cc1cc(ccc1O[13CH3])[N+](=O)[O-] 7a_100000744956_200025704644 [0,2,0,0,0,0|1,0,1]=4 2286 B12R1.48 Cc1cc(ccc1S[13CH3])C(=O)N 62a_100011218126_200025704644 [0,2,0,0,0,0|1,1,0]=4 2287 B12R1.48 Cc1cc(ccc1S[13CH3])C(=O)N 62a_200025704644_100011218126 [0,2,0,0,0,0|1,1,0]=4 2288 B12R1.48 [13CH3]C(=O)c1ccc(c(c1)Br)C#N 1458a_100012355661_200025704644 [0,2,0,0,0,0|2,0,0]=4 2289 B12R1.48 [13CH3]C(=O)c1ccc(c(c1)Cl)C#N 1458a_100000694585_200025704644 [0,2,0,0,0,0|2,0,0]=4 2290 B12R1.48 [13CH3]C(=O)c1ccc(c(c1)F)C#N 1458a_100011217213_200025704644 [0,2,0,0,0,0|2,0,0]=4 2291 B12R1.48 [13CH3]C(=O)c1ccc(c(c1)F)CO 1458a_100000687192_200025704644 [0,2,0,0,0,0|1,0,0]=3 2292 B12R1.48 [13CH3]Oc1ccc(cc1Br)[N+](=O)[O-] 34a_100000756651_200025704644 [0,2,0,0,0,0|1,0,1]=4 2293 B12R1.48 [13CH3]Oc1ccc(cc1Br)[N+](=O)[O-] 7a_100000756651_200025704644 [0,2,0,0,0,0|1,0,1]=4 2294 B12R1.48 [13CH3]Oc1ccc(cc1Cl)C(=O)N 34a_200000192832_200025704644 [0,2,0,0,0,0|1,0,0]=3 2295 B12R1.48 [13CH3]Oc1ccc(cc1Cl)C(=O)N 7a_200000192832_200025704644 [0,2,0,0,0,0|1,0,0]=3 2296 B12R1.48 [13CH3]Oc1ccc(cc1Cl)[N+](=O)[O-] 34a_100000206008_200025704644 [0,2,0,0,0,0|1,0,1]=4 2297 B12R1.48 [13CH3]Oc1ccc(cc1Cl)[N+](=O)[O-] 7a_100000206008_200025704644 [0,2,0,0,0,0|1,0,1]=4 2298 B12R1.48 [13CH3]Oc1ccc(cc1F)[N+](=O)[O-] 34a_100000739697_200025704644 [0,2,0,0,0,0|1,0,1]=4 2299 B12R1.48 [13CH3]Oc1ccc(cc1F)[N+](=O)[O-] 7a_100000739697_200025704644 [0,2,0,0,0,0|1,0,1]=4 2300 B12R1.48 [13CH3]Oc1ccc(cc1I)[N+](=O)[O-] 34a_100012047213_200025704644 [0,2,0,0,0,0|1,0,1]=4 2301 B12R1.48 [13CH3]Oc1ccc(cc1I)[N+](=O)[O-] 7a_100012047213_200025704644 [0,2,0,0,0,0|1,0,1]=4 2302 B12R1.48 [13CH3]Oc1ccc(cc1N)[N+](=O)[O-] 34a_100000181223_200025704644 [0,2,0,0,0,0|1,0,1]=4 2303 B12R1.48 [13CH3]Oc1ccc(cc1N)[N+](=O)[O-] 7a_100000181223_200025704644 [0,2,0,0,0,0|1,0,1]=4 2304 B12R1.48 [13CH3]Sc1ccc(cc1Br)C(=O)N 62a_100009814583_200025704644 [0,2,0,0,0,0|1,1,0]=4 2305 B12R1.48 [13CH3]Sc1ccc(cc1Br)C(=O)N 62a_200025704644_100009814583 [0,2,0,0,0,0|1,1,0]=4 2306 B12R1.48 [13CH3]Sc1ccc(cc1F)C(=O)N 62a_100000686215_200025704644 [0,2,0,0,0,0|1,1,0]=4 2307 B12R1.48 [13CH3]Sc1ccc(cc1F)C(=O)N 62a_200025704644_100000686215 [0,2,0,0,0,0|1,1,0]=4 2308 B12R1.48 [13CH3]Sc1ccc(cc1O)C(=O)N 62a_100012344895_200025704644 [0,2,0,0,0,0|1,1,0]=4 2309 B12R1.48 [13CH3]Sc1ccc(cc1O)C(=O)N 62a_200025704644_100012344895 [0,2,0,0,0,0|1,1,0]=4 2310 B12R1.113 C=C(C)c1ccc(cc1)CCO 271570a_100000694244_100000766406 [0,2,0,0,0,0|2,0,0]=4 2311 B12R1.113 C=C(C)c1ccc(cc1)COC 271570a_100000694244_100011493685 [0,2,0,0,0,0|2,0,0]=4 2312 B12R1.113 C=C(C)c1ccc(cc1)OCC 271570a_100000694244_100000169946 [0,2,0,0,0,0|2,0,0]=4 2313 B12R1.113 C=C(C)c1ccc(cc1)OCC 34a_100009880102_100000210202 [0,2,0,0,0,0|2,0,0]=4 2314 B12R1.113 C=C(C)c1ccc(cc1)OCC 7a_100009880102_100000210202 [0,2,0,0,0,0|2,0,0]=4 2315 B12R1.113 C=C(C)c1ccc(cc1)OCF 34a_100009880102_100015361967 [0,2,0,0,0,0|2,0,0]=4 2316 B12R1.113 C=C(C)c1ccc(cc1)OCF 7a_100009880102_100015361967 [0,2,0,0,0,0|2,0,0]=4 2317 B12R1.113 C=C=Cc1ccc(cc1)C(=O)C 271570a_100015277604_100000185465 [0,2,0,0,0,0|2,0,0]=4 2318 B12R1.113 C=C=Cc1ccc(cc1)C(=O)N 271570a_100015277604_100000162191 [0,2,0,0,0,0|2,0,0]=4 2319 B12R1.113 CC#Cc1ccc(cc1)C(=O)C 1458a_100009923575_200000210301 [0,2,0,0,0,0|2,0,0]=4 2320 B12R1.113 CC#Cc1ccc(cc1)C(=O)[13CH3] 1458a_100009923575_200025704644 [0,2,0,0,0,0|2,0,0]=4 2321 B12R1.113 CC(=O)c1ccc(cc1)CC#N 1458a_100000693995_200000210301 [0,2,0,0,0,0|2,0,0]=4 2322 B12R1.113 CC(=O)c1ccc(cc1)CCO 1458a_100000078963_200000210301 [0,2,0,0,0,0|1,0,0]=3 2323 B12R1.113 CC(=O)c1ccc(cc1)CO[13CH3] 7a_100000082505_200025704644 [0,2,0,0,0,0|1,0,0]=3 2324 B12R1.113 CC(=O)c1ccc(cc1)CS[13CH3] 62a_100000756337_200025704644 [0,2,0,0,0,0|1,1,0]=4 2325 B12R1.113 CC(=O)c1ccc(cc1)CS[13CH3] 62a_200025704644_100000756337 [0,2,0,0,0,0|1,1,0]=4 2326 B12R1.113 CC(=O)c1ccc(cc1)N=[N+]=[N-] 1458a_100000039380_200000210301 [0,2,0,0,0,0|2,0,0]=4 2327 B12R1.113 CC(=O)c1ccc(cc1)OCF 34a_100000185113_100015361967 [0,2,0,0,0,0|1,0,0]=3 2328 B12R1.113 CC(=O)c1ccc(cc1)OCF 7a_100000185113_100015361967 [0,2,0,0,0,0|1,0,0]=3 2329 B12R1.113 CC(=O)c1ccc(cc1)SCF 62a_100000185465_100015361967 [0,2,0,0,0,0|1,1,0]=4 2330 B12R1.113 CC(=O)c1ccc(cc1)SCF 62a_100015361967_100000185465 [0,2,0,0,0,0|1,1,0]=4 2331 B12R1.113 CC(=O)c1ccc(cn1)OCF 34a_100012001710_100015361967 [0,2,0,0,0,0|2,0,0]=4 2332 B12R1.113 CC(=O)c1ccc(cn1)OCF 7a_100012001710_100015361967 [0,2,0,0,0,0|2,0,0]=4 2333 B12R1.113 CC(O)c1ccc(cc1)OCF 34a_100000754508_100015361967 [0,2,0,0,0,0|1,0,1]=4 2334 B12R1.113 CC(O)c1ccc(cc1)OCF 7a_100000754508_100015361967 [0,2,0,0,0,0|1,0,1]=4 2335 B12R1.113 CC=Cc1ccc(cc1)C(=O)C 271570a_100016259895_100000185465 [0,2,0,0,0,0|2,0,0]=4 2336 B12R1.113 CC=Cc1ccc(cc1)C(=O)N 271570a_100016259895_100000162191 [0,2,0,0,0,0|2,0,0]=4 2337 B12R1.113 CCCc1ccc(cc1)C(=O)C 1458a_100011207308_200000210301 [0,2,0,0,0,0|2,0,0]=4 2338 B12R1.113 CCCc1ccc(cc1)C(=O)[13CH3] 1458a_100011207308_200025704644 [0,2,0,0,0,0|2,0,0]=4 2339 B12R1.113 CCNc1ccc(cc1)C(=O)N 27a_100015525214_100000162191 [0,2,0,0,0,0|2,0,0]=4 2340 B12R1.113 CCNc1ccc(cc1)C(=O)N 34a_100000210537_100000210202 [0,2,0,0,0,0|2,0,0]=4 2341 B12R1.113 CCOc1ccc(cc1)C(=O)C 1458a_100000181891_200000210301 [0,2,0,0,0,0|1,0,0]=3 2342 B12R1.113 CCOc1ccc(cc1)C(=O)C 34a_100000185113_100000210202 [0,2,0,0,0,0|1,0,0]=3 2343 B12R1.113 CCOc1ccc(cc1)C(=O)C 7a_100000185113_100000210202 [0,2,0,0,0,0|1,0,0]=3 2344 B12R1.113 CCOc1ccc(cc1)C(=O)N 34a_100000746352_100000210202 [0,2,0,0,0,0|1,0,0]=3 2345 B12R1.113 CCOc1ccc(cc1)C(=O)N 7a_100000746352_100000210202 [0,2,0,0,0,0|1,0,0]=3 2346 B12R1.113 CCOc1ccc(cc1)C(=O)[13CH3] 1458a_100000181891_200025704644 [0,2,0,0,0,0|1,0,0]=3 2347 B12R1.113 CCOc1ccc(cc1)C(C)O 34a_100000754508_100000210202 [0,2,0,0,0,0|1,0,1]=4 2348 B12R1.113 CCOc1ccc(cc1)C(C)O 7a_100000754508_100000210202 [0,2,0,0,0,0|1,0,1]=4 2349 B12R1.113 CCOc1ccc(cc1)S(=O)C 34a_200000064373_100000210202 [0,2,0,0,0,0|2,0,0]=4 2350 B12R1.113 CCOc1ccc(cc1)S(=O)C 7a_200000064373_100000210202 [0,2,0,0,0,0|2,0,0]=4 2351 B12R1.113 CCOc1ccc(cc1)[N+](=O)[O-] 34a_100000185810_100000210202 [0,2,0,0,0,0|1,0,1]=4 2352 B12R1.113 CCOc1ccc(cc1)[N+](=O)[O-] 7a_100000185810_100000210202 [0,2,0,0,0,0|1,0,1]=4 2353 B12R1.113 CCOc1ccc(nc1)C(=O)C 34a_100012001710_100000210202 [0,2,0,0,0,0|2,0,0]=4 2354 B12R1.113 CCOc1ccc(nc1)C(=O)C 7a_100012001710_100000210202 [0,2,0,0,0,0|2,0,0]=4 2355 B12R1.113 CCSc1ccc(cc1)C(=O)C 1458a_100000244969_200000210301 [0,2,0,0,0,0|1,1,0]=4 2356 B12R1.113 CCSc1ccc(cc1)C(=O)C 62a_100000185465_100000210202 [0,2,0,0,0,0|1,1,0]=4 2357 B12R1.113 CCSc1ccc(cc1)C(=O)C 62a_100000210202_100000185465 [0,2,0,0,0,0|1,1,0]=4 2358 B12R1.113 CCSc1ccc(cc1)C(=O)N 62a_100000162191_100000210202 [0,2,0,0,0,0|1,1,0]=4 2359 B12R1.113 CCSc1ccc(cc1)C(=O)N 62a_100000210202_100000162191 [0,2,0,0,0,0|1,1,0]=4 2360 B12R1.113 CCSc1ccc(cc1)C(=O)[13CH3] 1458a_100000244969_200025704644 [0,2,0,0,0,0|1,1,0]=4 2361 B12R1.113 CNCc1ccc(cc1)C(=O)C 2230a_106832991635_100000756337 [0,2,0,0,0,0|2,0,0]=4 2362 B12R1.113 CNCc1ccc(cc1)C(=O)C 26a_100102657272_100000185113 [0,2,0,0,0,0|2,0,0]=4 2363 B12R1.113 CNCc1ccc(cc1)C(=O)C 34a_100102657272_100000756337 [0,2,0,0,0,0|2,0,0]=4 2364 B12R1.113 CNCc1ccc(cc1)C(=O)C 7a_106832991635_100000756337 [0,2,0,0,0,0|2,0,0]=4 2365 B12R1.113 CNCc1ccc(cc1)C(=O)N 207a_100102657272_100000038677 [0,2,0,0,0,0|2,0,0]=4 2366 B12R1.113 CNCc1ccc(cc1)C(=O)N 2230a_106832991635_100000231043 [0,2,0,0,0,0|2,0,0]=4 2367 B12R1.113 CNCc1ccc(cc1)C(=O)N 270004a_106832991635_100000038677 [0,2,0,0,0,0|2,0,0]=4 2368 B12R1.113 CNCc1ccc(cc1)C(=O)N 34a_100102657272_100000231043 [0,2,0,0,0,0|2,0,0]=4 2369 B12R1.113 CNCc1ccc(cc1)C(=O)N 7a_106832991635_100000231043 [0,2,0,0,0,0|2,0,0]=4 2370 B12R1.113 CNCc1ccc(cc1)C(=O)O 269956a_100000181780_200000210301 [0,2,0,0,0,0|1,0,0]=3 2371 B12R1.113 CNCc1ccc(cc1)C(=O)[O-] 26a_100102657272_100016998105 [0,2,0,0,0,0|1,0,1]=4 2372 B12R1.113 CNCc1ccc(nc1)C(=O)O 269956a_100000762669_200000210301 [0,2,0,0,0,0|2,0,0]=4 2373 B12R1.113 COCc1ccc(cc1)B(O)O 34a_100138415774_100009813762 [0,2,0,0,0,0|1,0,1]=4 2374 B12R1.113 COCc1ccc(cc1)C(=O)C 1458a_100000189608_200000210301 [0,2,0,0,0,0|1,0,0]=3 2375 B12R1.113 COCc1ccc(cc1)C(=O)C 34a_100138415774_100000756337 [0,2,0,0,0,0|1,0,0]=3 2376 B12R1.113 COCc1ccc(cc1)C(=O)C 7a_100000082505_200000210301 [0,2,0,0,0,0|1,0,0]=3 2377 B12R1.113 COCc1ccc(cc1)C(=O)N 34a_100000162016_200000210301 [0,2,0,0,0,0|1,0,0]=3 2378 B12R1.113 COCc1ccc(cc1)C(=O)N 34a_100138415774_100000231043 [0,2,0,0,0,0|1,0,0]=3 2379 B12R1.113 COCc1ccc(cc1)C(=O)N 7a_100000162016_200000210301 [0,2,0,0,0,0|1,0,0]=3 2380 B12R1.113 COCc1ccc(cc1)C(=O)[13CH3] 1458a_100000189608_200025704644 [0,2,0,0,0,0|1,0,0]=3 2381 B12R1.113 COCc1ccc(cc1)[N+](=O)[O-] 34a_100000211695_200000210301 [0,2,0,0,0,0|1,0,1]=4 2382 B12R1.113 COCc1ccc(cc1)[N+](=O)[O-] 34a_100138415774_100000181861 [0,2,0,0,0,0|1,0,1]=4 2383 B12R1.113 CS(=O)c1ccc(cc1)OCF 34a_200000064373_100015361967 [0,2,0,0,0,0|2,0,0]=4 2384 B12R1.113 CS(=O)c1ccc(cc1)OCF 7a_200000064373_100015361967 [0,2,0,0,0,0|2,0,0]=4 2385 B12R1.113 CSCc1ccc(cc1)C(=O)C 1458a_100000175442_200000210301 [0,2,0,0,0,0|1,1,0]=4 2386 B12R1.113 CSCc1ccc(cc1)C(=O)C 62a_100000756337_200000210301 [0,2,0,0,0,0|1,1,0]=4 2387 B12R1.113 CSCc1ccc(cc1)C(=O)C 62a_200000210301_100000756337 [0,2,0,0,0,0|1,1,0]=4 2388 B12R1.113 CSCc1ccc(cc1)C(=O)N 62a_100000231043_200000210301 [0,2,0,0,0,0|1,1,0]=4 2389 B12R1.113 CSCc1ccc(cc1)C(=O)N 62a_200000210301_100000231043 [0,2,0,0,0,0|1,1,0]=4 2390 B12R1.113 CSCc1ccc(cc1)C(=O)[13CH3] 1458a_100000175442_200025704644 [0,2,0,0,0,0|1,1,0]=4 2391 B12R1.113 NC(=O)c1ccc(cc1)NCF 34a_100000210537_100015361967 [0,2,0,0,0,0|2,0,0]=4 2392 B12R1.113 NC(=O)c1ccc(cc1)OCF 34a_100000746352_100015361967 [0,2,0,0,0,0|1,0,0]=3 2393 B12R1.113 NC(=O)c1ccc(cc1)OCF 7a_100000746352_100015361967 [0,2,0,0,0,0|1,0,0]=3 2394 B12R1.113 NC(=O)c1ccc(cc1)SCF 62a_100000162191_100015361967 [0,2,0,0,0,0|1,1,0]=4 2395 B12R1.113 NC(=O)c1ccc(cc1)SCF 62a_100015361967_100000162191 [0,2,0,0,0,0|1,1,0]=4 2396 B12R1.113 O=[N+]([O-])c1ccc(cc1)OCF 34a_100000185810_100015361967 [0,2,0,0,0,0|1,0,1]=4 2397 B12R1.113 O=[N+]([O-])c1ccc(cc1)OCF 7a_100000185810_100015361967 [0,2,0,0,0,0|1,0,1]=4 2398 B12R1.113 [13CH3]C(=O)c1ccc(cc1)CC#N 1458a_100000693995_200025704644 [0,2,0,0,0,0|2,0,0]=4 2399 B12R1.113 [13CH3]C(=O)c1ccc(cc1)CCO 1458a_100000078963_200025704644 [0,2,0,0,0,0|1,0,0]=3 2400 B12R1.113 [13CH3]C(=O)c1ccc(cc1)N=[N+]=[N-] 1458a_100000039380_200025704644 [0,2,0,0,0,0|2,0,0]=4 2401 B12R1.113 [13CH3]NCc1ccc(cc1)C(=O)O 269956a_100000181780_200025704644 [0,2,0,0,0,0|1,0,0]=3 2402 B12R1.113 [13CH3]NCc1ccc(nc1)C(=O)O 269956a_100000762669_200025704644 [0,2,0,0,0,0|2,0,0]=4 2403 B12R1.113 [13CH3]OCc1ccc(cc1)C(=O)N 34a_100000162016_200025704644 [0,2,0,0,0,0|1,0,0]=3 2404 B12R1.113 [13CH3]OCc1ccc(cc1)C(=O)N 7a_100000162016_200025704644 [0,2,0,0,0,0|1,0,0]=3 2405 B12R1.113 [13CH3]OCc1ccc(cc1)[N+](=O)[O-] 34a_100000211695_200025704644 [0,2,0,0,0,0|1,0,1]=4 2406 B12R1.113 [13CH3]SCc1ccc(cc1)C(=O)N 62a_100000231043_200025704644 [0,2,0,0,0,0|1,1,0]=4 2407 B12R1.113 [13CH3]SCc1ccc(cc1)C(=O)N 62a_200025704644_100000231043 [0,2,0,0,0,0|1,1,0]=4 2408 B12R1.256 C=C(C)c1ccc(cc1)B(O)O 271570a_100000694244_100000754493 [0,2,0,0,0,0|2,0,0]=4 2409 B12R1.256 C=C(C)c1ccc(cc1)C(=O)C 1458a_200009908186_200000210301 [0,2,0,0,0,0|2,0,0]=4 2410 B12R1.256 C=C(C)c1ccc(cc1)C(=O)C 271570a_100000694244_100000185465 [0,2,0,0,0,0|2,0,0]=4 2411 B12R1.256 C=C(C)c1ccc(cc1)C(=O)N 271570a_100000694244_100000162191 [0,2,0,0,0,0|2,0,0]=4 2412 B12R1.256 C=C(C)c1ccc(cc1)C(=O)[13CH3] 1458a_200009908186_200025704644 [0,2,0,0,0,0|2,0,0]=4 2413 B12R1.256 C=C(C)c1ccc(cc1)C(C)O 271570a_100000694244_100000745893 [0,2,0,0,0,0|2,0,0]=4 2414 B12R1.256 CC(=O)c1ccc(cc1)C(=O)N 1458a_100000230133_200000210301 [0,2,0,0,0,0|1,0,1]=4 2415 B12R1.256 CC(=O)c1ccc(cc1)C(C)C 1458a_100000210772_200000210301 [0,2,0,0,0,0|2,0,0]=4 2416 B12R1.256 CC(=O)c1ccc(cc1)C(C)O 1458a_100000076921_200000210301 [0,2,0,0,0,0|1,0,0]=3 2417 B12R1.256 CC(=O)c1ccc(cc1)C(F)F 1458a_100011735500_200000210301 [0,2,0,0,0,0|2,0,0]=4 2418 B12R1.256 CC(=O)c1ccc(cc1)N(C)C 1458a_100000210873_200000210301 [0,2,0,0,0,0|2,0,0]=4 2419 B12R1.256 CC(=O)c1ccc(cc1)S(=O)C 1458a_200000217594_200000210301 [0,2,0,0,0,0|1,0,1]=4 2420 B12R1.256 CC(=O)c1ccc(cc1)[N+](=O)[O-] 1458a_100000185811_200000210301 [0,2,0,0,0,0|1,0,1]=4 2421 B12R1.256 CC(C)c1ccc(cc1)C(=O)[13CH3] 1458a_100000210772_200025704644 [0,2,0,0,0,0|2,0,0]=4 2422 B12R1.256 CC(O)c1ccc(cc1)C(=O)[13CH3] 1458a_100000076921_200025704644 [0,2,0,0,0,0|1,0,0]=3 2423 B12R1.256 CN(C)c1ccc(cc1)C(=O)N 27a_100102631434_100000162191 [0,2,0,0,0,0|2,0,0]=4 2424 B12R1.256 CN(C)c1ccc(cc1)C(=O)[13CH3] 1458a_100000210873_200025704644 [0,2,0,0,0,0|2,0,0]=4 2425 B12R1.256 CS(=O)c1ccc(cc1)C(=O)[13CH3] 1458a_200000217594_200025704644 [0,2,0,0,0,0|1,0,1]=4 2426 B12R1.256 [13CH3]C(=O)c1ccc(cc1)C(=O)N 1458a_100000230133_200025704644 [0,2,0,0,0,0|1,0,1]=4 2427 B12R1.256 [13CH3]C(=O)c1ccc(cc1)C(F)F 1458a_100011735500_200025704644 [0,2,0,0,0,0|2,0,0]=4 2428 B12R1.256 [13CH3]C(=O)c1ccc(cc1)[N+](=O)[O-] 1458a_100000185811_200025704644 [0,2,0,0,0,0|1,0,1]=4 2429 B12R1.452 C#Cc1ccc(c(c1)Cl)C(=O)C 1458a_100103168756_200000210301 [0,2,0,0,0,0|2,0,0]=4 2430 B12R1.452 C#Cc1ccc(c(c1)Cl)C(=O)[13CH3] 1458a_100103168756_200025704644 [0,2,0,0,0,0|2,0,0]=4 2431 B12R1.452 C=C(C)c1ccc(cc1Br)OC 271570a_100000694244_100012349170 [0,2,0,0,0,0|2,0,0]=4 2432 B12R1.452 C=C(C)c1ccc(cc1C)CO 271570a_100000694244_100000718852 [0,2,0,0,0,0|2,0,0]=4 2433 B12R1.452 C=C(C)c1ccc(cc1C)OC 271570a_100000694244_100000759875 [0,2,0,0,0,0|2,0,0]=4 2434 B12R1.452 C=C(C)c1ccc(cc1Cl)CO 271570a_100000694244_100000718186 [0,2,0,0,0,0|2,0,0]=4 2435 B12R1.452 C=C(C)c1ccc(cc1F)CO 271570a_100000694244_100011533735 [0,2,0,0,0,0|2,0,0]=4 2436 B12R1.452 C=C(C)c1ccc(cc1F)OC 271570a_100000694244_100000753793 [0,2,0,0,0,0|2,0,0]=4 2437 B12R1.452 C=C(C)c1ccc(cc1N)CO 271570a_100000694244_100012347568 [0,2,0,0,0,0|2,0,0]=4 2438 B12R1.452 C=C(C)c1ccc(cc1N)OC 271570a_100000694244_100000748021 [0,2,0,0,0,0|2,0,0]=4 2439 B12R1.452 C=C(C)c1ccc(cc1O)CO 271570a_100000694244_100000049605 [0,2,0,0,0,0|2,0,0]=4 2440 B12R1.452 C=C(C)c1ccc(cc1O)OC 271570a_100000694244_100000719091 [0,2,0,0,0,0|2,0,0]=4 2441 B12R1.452 C=Cc1ccc(c(c1)Br)C(=O)N 271570a_100011290941_200010146565 [0,2,0,0,0,0|2,0,0]=4 2442 B12R1.452 C=Cc1ccc(c(c1)C)C(=O)C 271570a_100011290941_100012360112 [0,2,0,0,0,0|2,0,0]=4 2443 B12R1.452 C=Cc1ccc(c(c1)C)C(=O)N 271570a_100011290941_100011327924 [0,2,0,0,0,0|2,0,0]=4 2444 B12R1.452 C=Cc1ccc(c(c1)F)C(=O)C 271570a_100011290941_100000690205 [0,2,0,0,0,0|2,0,0]=4 2445 B12R1.452 C=Cc1ccc(c(c1)F)C(=O)N 271570a_100011290941_100000216903 [0,2,0,0,0,0|2,0,0]=4 2446 B12R1.452 C=Cc1ccc(c(c1)N)C(=O)C 271570a_100011290941_100011590516 [0,2,0,0,0,0|2,0,0]=4 2447 B12R1.452 C=Cc1ccc(c(c1)N)C(=O)N 271570a_100011290941_100012349972 [0,2,0,0,0,0|2,0,0]=4 2448 B12R1.452 C=Cc1ccc(c(c1)O)C(=O)C 271570a_100011290941_100000188348 [0,2,0,0,0,0|2,0,0]=4 2449 B12R1.452 C=Cc1ccc(c(c1)O)C(=O)N 271570a_100011290941_100011550861 [0,2,0,0,0,0|2,0,0]=4 2450 B12R1.452 CC(=O)c1ccc(cc1Br)C#N 1458a_100010244945_200000210301 [0,2,0,0,0,0|2,0,0]=4 2451 B12R1.452 CC(=O)c1ccc(cc1Br)O[13CH3] 34a_100012340537_200025704644 [0,2,0,0,0,0|1,0,0]=3 2452 B12R1.452 CC(=O)c1ccc(cc1Br)O[13CH3] 7a_100012340537_200025704644 [0,2,0,0,0,0|1,0,0]=3 2453 B12R1.452 CC(=O)c1ccc(cc1C)C#N 1458a_100000691869_200000210301 [0,2,0,0,0,0|2,0,0]=4 2454 B12R1.452 CC(=O)c1ccc(cc1C)O[13CH3] 34a_100000702595_200025704644 [0,2,0,0,0,0|1,0,0]=3 2455 B12R1.452 CC(=O)c1ccc(cc1C)O[13CH3] 7a_100000702595_200025704644 [0,2,0,0,0,0|1,0,0]=3 2456 B12R1.452 CC(=O)c1ccc(cc1C)S[13CH3] 62a_100012360112_200025704644 [0,2,0,0,0,0|1,1,0]=4 2457 B12R1.452 CC(=O)c1ccc(cc1C)S[13CH3] 62a_200025704644_100012360112 [0,2,0,0,0,0|1,1,0]=4 2458 B12R1.452 CC(=O)c1ccc(cc1Cl)C#N 1458a_100000100588_200000210301 [0,2,0,0,0,0|2,0,0]=4 2459 B12R1.452 CC(=O)c1ccc(cc1Cl)CO 1458a_100015659073_200000210301 [0,2,0,0,0,0|1,0,0]=3 2460 B12R1.452 CC(=O)c1ccc(cc1Cl)O[13CH3] 34a_100011933989_200025704644 [0,2,0,0,0,0|1,0,0]=3 2461 B12R1.452 CC(=O)c1ccc(cc1Cl)O[13CH3] 7a_100011933989_200025704644 [0,2,0,0,0,0|1,0,0]=3 2462 B12R1.452 CC(=O)c1ccc(cc1F)C#N 1458a_100000238375_200000210301 [0,2,0,0,0,0|2,0,0]=4 2463 B12R1.452 CC(=O)c1ccc(cc1F)CO 1458a_100011934814_200000210301 [0,2,0,0,0,0|1,0,0]=3 2464 B12R1.452 CC(=O)c1ccc(cc1F)O[13CH3] 34a_100000752407_200025704644 [0,2,0,0,0,0|1,0,0]=3 2465 B12R1.452 CC(=O)c1ccc(cc1F)O[13CH3] 7a_100000752407_200025704644 [0,2,0,0,0,0|1,0,0]=3 2466 B12R1.452 CC(=O)c1ccc(cc1F)S[13CH3] 62a_100000690205_200025704644 [0,2,0,0,0,0|1,1,0]=4 2467 B12R1.452 CC(=O)c1ccc(cc1N)S[13CH3] 62a_100011590516_200025704644 [0,2,0,0,0,0|1,1,0]=4 2468 B12R1.452 CCc1ccc(c(c1)F)C(=O)C 1458a_200009867912_200000210301 [0,2,0,0,0,0|2,0,0]=4 2469 B12R1.452 CCc1ccc(c(c1)F)C(=O)[13CH3] 1458a_200009867912_200025704644 [0,2,0,0,0,0|2,0,0]=4 2470 B12R1.452 CNc1ccc(c(c1)Br)C(=O)N 27a_100102657272_200010146565 [0,2,0,0,0,0|2,0,0]=4 2471 B12R1.452 CNc1ccc(c(c1)C)C(=O)N 27a_100102657272_100011327924 [0,2,0,0,0,0|2,0,0]=4 2472 B12R1.452 CNc1ccc(c(c1)C)C(=O)N 34a_200000751758_200000210301 [0,2,0,0,0,0|2,0,0]=4 2473 B12R1.452 CNc1ccc(c(c1)C)C(=O)N 7a_200000751758_200000210301 [0,2,0,0,0,0|2,0,0]=4 2474 B12R1.452 CNc1ccc(c(c1)Cl)C(=O)N 34a_100000737725_200000210301 [0,2,0,0,0,0|2,0,0]=4 2475 B12R1.452 CNc1ccc(c(c1)Cl)C(=O)N 7a_100000737725_200000210301 [0,2,0,0,0,0|2,0,0]=4 2476 B12R1.452 CNc1ccc(c(c1)F)C(=O)C 27a_100102657272_100000690205 [0,2,0,0,0,0|2,0,0]=4 2477 B12R1.452 CNc1ccc(c(c1)F)C(=O)N 27a_100102657272_100000216903 [0,2,0,0,0,0|2,0,0]=4 2478 B12R1.452 CNc1ccc(c(c1)F)C(=O)N 34a_100000749959_200000210301 [0,2,0,0,0,0|2,0,0]=4 2479 B12R1.452 CNc1ccc(c(c1)F)C(=O)N 7a_100000749959_200000210301 [0,2,0,0,0,0|2,0,0]=4 2480 B12R1.452 CNc1ccc(c(c1)O)C(=O)N 34a_100000223280_200000210301 [0,2,0,0,0,0|2,0,0]=4 2481 B12R1.452 CNc1ccc(c(c1)O)C(=O)N 7a_100000223280_200000210301 [0,2,0,0,0,0|2,0,0]=4 2482 B12R1.452 COc1ccc(c(c1)Br)C(=O)C 1458a_100000748873_200000210301 [0,2,0,0,0,0|1,0,0]=3 2483 B12R1.452 COc1ccc(c(c1)Br)C(=O)C 34a_100012340537_200000210301 [0,2,0,0,0,0|1,0,0]=3 2484 B12R1.452 COc1ccc(c(c1)Br)C(=O)C 7a_100012340537_200000210301 [0,2,0,0,0,0|1,0,0]=3 2485 B12R1.452 COc1ccc(c(c1)Br)C(=O)[13CH3] 1458a_100000748873_200025704644 [0,2,0,0,0,0|1,0,0]=3 2486 B12R1.452 COc1ccc(c(c1)Br)[N+](=O)[O-] 34a_100012356988_200000210301 [0,2,0,0,0,0|1,0,1]=4 2487 B12R1.452 COc1ccc(c(c1)Br)[N+](=O)[O-] 7a_100012356988_200000210301 [0,2,0,0,0,0|1,0,1]=4 2488 B12R1.452 COc1ccc(c(c1)C)C(=O)C 1458a_100000763155_200000210301 [0,2,0,0,0,0|1,0,0]=3 2489 B12R1.452 COc1ccc(c(c1)C)C(=O)C 34a_100000702595_200000210301 [0,2,0,0,0,0|1,0,0]=3 2490 B12R1.452 COc1ccc(c(c1)C)C(=O)C 7a_100000702595_200000210301 [0,2,0,0,0,0|1,0,0]=3 2491 B12R1.452 COc1ccc(c(c1)C)C(=O)[13CH3] 1458a_100000763155_200025704644 [0,2,0,0,0,0|1,0,0]=3 2492 B12R1.452 COc1ccc(c(c1)C)[N+](=O)[O-] 34a_100000195451_200000210301 [0,2,0,0,0,0|1,0,1]=4 2493 B12R1.452 COc1ccc(c(c1)C)[N+](=O)[O-] 7a_100000195451_200000210301 [0,2,0,0,0,0|1,0,1]=4 2494 B12R1.452 COc1ccc(c(c1)Cl)C(=O)C 1458a_100000753557_200000210301 [0,2,0,0,0,0|1,0,0]=3 2495 B12R1.452 COc1ccc(c(c1)Cl)C(=O)C 34a_100011933989_200000210301 [0,2,0,0,0,0|1,0,0]=3 2496 B12R1.452 COc1ccc(c(c1)Cl)C(=O)C 7a_100011933989_200000210301 [0,2,0,0,0,0|1,0,0]=3 2497 B12R1.452 COc1ccc(c(c1)Cl)C(=O)N 34a_100011997949_200000210301 [0,2,0,0,0,0|1,0,0]=3 2498 B12R1.452 COc1ccc(c(c1)Cl)C(=O)N 7a_100011997949_200000210301 [0,2,0,0,0,0|1,0,0]=3 2499 B12R1.452 COc1ccc(c(c1)Cl)C(=O)[13CH3] 1458a_100000753557_200025704644 [0,2,0,0,0,0|1,0,0]=3 2500 B12R1.452 COc1ccc(c(c1)Cl)[N+](=O)[O-] 34a_100000746235_200000210301 [0,2,0,0,0,0|1,0,1]=4 2501 B12R1.452 COc1ccc(c(c1)Cl)[N+](=O)[O-] 7a_100000746235_200000210301 [0,2,0,0,0,0|1,0,1]=4 2502 B12R1.452 COc1ccc(c(c1)F)C(=O)C 1458a_100000198494_200000210301 [0,2,0,0,0,0|1,0,0]=3 2503 B12R1.452 COc1ccc(c(c1)F)C(=O)C 34a_100000752407_200000210301 [0,2,0,0,0,0|1,0,0]=3 2504 B12R1.452 COc1ccc(c(c1)F)C(=O)C 7a_100000752407_200000210301 [0,2,0,0,0,0|1,0,0]=3 2505 B12R1.452 COc1ccc(c(c1)F)C(=O)N 34a_200012186767_200000210301 [0,2,0,0,0,0|1,0,0]=3 2506 B12R1.452 COc1ccc(c(c1)F)C(=O)N 7a_200012186767_200000210301 [0,2,0,0,0,0|1,0,0]=3 2507 B12R1.452 COc1ccc(c(c1)F)C(=O)[13CH3] 1458a_100000198494_200025704644 [0,2,0,0,0,0|1,0,0]=3 2508 B12R1.452 COc1ccc(c(c1)F)[N+](=O)[O-] 7a_100000745333_200000210301 [0,2,0,0,0,0|1,0,1]=4 2509 B12R1.452 COc1ccc(c(c1)I)C(=O)C 1458a_100000688016_200000210301 [0,2,0,0,0,0|1,0,0]=3 2510 B12R1.452 COc1ccc(c(c1)I)C(=O)[13CH3] 1458a_100000688016_200025704644 [0,2,0,0,0,0|1,0,0]=3 2511 B12R1.452 COc1ccc(c(c1)I)[N+](=O)[O-] 7a_100010243554_200000210301 [0,2,0,0,0,0|1,0,1]=4 2512 B12R1.452 COc1ccc(c(c1)N)C(=O)N 34a_100012186684_200000210301 [0,2,0,0,0,0|1,0,0]=3 2513 B12R1.452 COc1ccc(c(c1)N)C(=O)N 7a_100012186684_200000210301 [0,2,0,0,0,0|1,0,0]=3 2514 B12R1.452 COc1ccc(c(c1)N)[N+](=O)[O-] 7a_100000729835_200000210301 [0,2,0,0,0,0|1,0,1]=4 2515 B12R1.452 COc1ccc(c(c1)O)C(=O)C 1458a_100000212123_200000210301 [0,2,0,0,0,0|1,0,0]=3 2516 B12R1.452 COc1ccc(c(c1)O)C(=O)C 271570a_203496583355_100000697255 [0,2,0,0,0,0|1,0,0]=3 2517 B12R1.452 COc1ccc(c(c1)O)C(=O)N 271570a_203496583355_200009815664 [0,2,0,0,0,0|1,0,0]=3 2518 B12R1.452 COc1ccc(c(c1)O)C(=O)[13CH3] 1458a_100000212123_200025704644 [0,2,0,0,0,0|1,0,0]=3 2519 B12R1.452 COc1ccc(c(c1)O)C(C)O 271570a_203496583355_100000697252 [0,2,0,0,0,0|1,0,1]=4 2520 B12R1.452 CSc1ccc(c(c1)Br)C(=O)N 62a_200010146565_200000210301 [0,2,0,0,0,0|1,1,0]=4 2521 B12R1.452 CSc1ccc(c(c1)C)C(=O)C 1458a_100012278374_200000210301 [0,2,0,0,0,0|1,1,0]=4 2522 B12R1.452 CSc1ccc(c(c1)C)C(=O)C 62a_100012360112_200000210301 [0,2,0,0,0,0|1,1,0]=4 2523 B12R1.452 CSc1ccc(c(c1)C)C(=O)C 62a_200000210301_100012360112 [0,2,0,0,0,0|1,1,0]=4 2524 B12R1.452 CSc1ccc(c(c1)C)C(=O)N 62a_100011327924_200000210301 [0,2,0,0,0,0|1,1,0]=4 2525 B12R1.452 CSc1ccc(c(c1)C)C(=O)N 62a_200000210301_100011327924 [0,2,0,0,0,0|1,1,0]=4 2526 B12R1.452 CSc1ccc(c(c1)C)C(=O)[13CH3] 1458a_100012278374_200025704644 [0,2,0,0,0,0|1,1,0]=4 2527 B12R1.452 CSc1ccc(c(c1)F)C(=O)C 62a_100000690205_200000210301 [0,2,0,0,0,0|1,1,0]=4 2528 B12R1.452 CSc1ccc(c(c1)F)C(=O)N 62a_100000216903_200000210301 [0,2,0,0,0,0|1,1,0]=4 2529 B12R1.452 CSc1ccc(c(c1)N)C(=O)C 62a_100011590516_200000210301 [0,2,0,0,0,0|1,1,0]=4 2530 B12R1.452 CSc1ccc(c(c1)N)C(=O)N 62a_100012349972_200000210301 [0,2,0,0,0,0|1,1,0]=4 2531 B12R1.452 CSc1ccc(c(c1)O)C(=O)N 62a_100011550861_200000210301 [0,2,0,0,0,0|1,1,0]=4 2532 B12R1.452 Cc1cc(ccc1C(=O)N)N[13CH3] 34a_200000751758_200025704644 [0,2,0,0,0,0|2,0,0]=4 2533 B12R1.452 Cc1cc(ccc1C(=O)N)N[13CH3] 7a_200000751758_200025704644 [0,2,0,0,0,0|2,0,0]=4 2534 B12R1.452 Cc1cc(ccc1C(=O)N)S[13CH3] 62a_100011327924_200025704644 [0,2,0,0,0,0|1,1,0]=4 2535 B12R1.452 Cc1cc(ccc1C(=O)N)S[13CH3] 62a_200025704644_100011327924 [0,2,0,0,0,0|1,1,0]=4 2536 B12R1.452 Cc1cc(ccc1C(=O)[13CH3])C#N 1458a_100000691869_200025704644 [0,2,0,0,0,0|2,0,0]=4 2537 B12R1.452 Cc1cc(ccc1[N+](=O)[O-])O[13CH3] 34a_100000195451_200025704644 [0,2,0,0,0,0|1,0,1]=4 2538 B12R1.452 Cc1cc(ccc1[N+](=O)[O-])O[13CH3] 7a_100000195451_200025704644 [0,2,0,0,0,0|1,0,1]=4 2539 B12R1.452 [13CH3]C(=O)c1ccc(cc1Br)C#N 1458a_100010244945_200025704644 [0,2,0,0,0,0|2,0,0]=4 2540 B12R1.452 [13CH3]C(=O)c1ccc(cc1Cl)C#N 1458a_100000100588_200025704644 [0,2,0,0,0,0|2,0,0]=4 2541 B12R1.452 [13CH3]C(=O)c1ccc(cc1Cl)CO 1458a_100015659073_200025704644 [0,2,0,0,0,0|1,0,0]=3 2542 B12R1.452 [13CH3]C(=O)c1ccc(cc1F)C#N 1458a_100000238375_200025704644 [0,2,0,0,0,0|2,0,0]=4 2543 B12R1.452 [13CH3]C(=O)c1ccc(cc1F)CO 1458a_100011934814_200025704644 [0,2,0,0,0,0|1,0,0]=3 2544 B12R1.452 [13CH3]Nc1ccc(c(c1)Cl)C(=O)N 34a_100000737725_200025704644 [0,2,0,0,0,0|2,0,0]=4 2545 B12R1.452 [13CH3]Nc1ccc(c(c1)Cl)C(=O)N 7a_100000737725_200025704644 [0,2,0,0,0,0|2,0,0]=4 2546 B12R1.452 [13CH3]Nc1ccc(c(c1)F)C(=O)N 34a_100000749959_200025704644 [0,2,0,0,0,0|2,0,0]=4 2547 B12R1.452 [13CH3]Nc1ccc(c(c1)F)C(=O)N 7a_100000749959_200025704644 [0,2,0,0,0,0|2,0,0]=4 2548 B12R1.452 [13CH3]Nc1ccc(c(c1)O)C(=O)N 34a_100000223280_200025704644 [0,2,0,0,0,0|2,0,0]=4 2549 B12R1.452 [13CH3]Nc1ccc(c(c1)O)C(=O)N 7a_100000223280_200025704644 [0,2,0,0,0,0|2,0,0]=4 2550 B12R1.452 [13CH3]Oc1ccc(c(c1)Br)[N+](=O)[O-] 34a_100012356988_200025704644 [0,2,0,0,0,0|1,0,1]=4 2551 B12R1.452 [13CH3]Oc1ccc(c(c1)Br)[N+](=O)[O-] 7a_100012356988_200025704644 [0,2,0,0,0,0|1,0,1]=4 2552 B12R1.452 [13CH3]Oc1ccc(c(c1)Cl)C(=O)N 34a_100011997949_200025704644 [0,2,0,0,0,0|1,0,0]=3 2553 B12R1.452 [13CH3]Oc1ccc(c(c1)Cl)C(=O)N 7a_100011997949_200025704644 [0,2,0,0,0,0|1,0,0]=3 2554 B12R1.452 [13CH3]Oc1ccc(c(c1)Cl)[N+](=O)[O-] 34a_100000746235_200025704644 [0,2,0,0,0,0|1,0,1]=4 2555 B12R1.452 [13CH3]Oc1ccc(c(c1)Cl)[N+](=O)[O-] 7a_100000746235_200025704644 [0,2,0,0,0,0|1,0,1]=4 2556 B12R1.452 [13CH3]Oc1ccc(c(c1)F)C(=O)N 34a_200012186767_200025704644 [0,2,0,0,0,0|1,0,0]=3 2557 B12R1.452 [13CH3]Oc1ccc(c(c1)F)C(=O)N 7a_200012186767_200025704644 [0,2,0,0,0,0|1,0,0]=3 2558 B12R1.452 [13CH3]Oc1ccc(c(c1)F)[N+](=O)[O-] 7a_100000745333_200025704644 [0,2,0,0,0,0|1,0,1]=4 2559 B12R1.452 [13CH3]Oc1ccc(c(c1)I)[N+](=O)[O-] 7a_100010243554_200025704644 [0,2,0,0,0,0|1,0,1]=4 2560 B12R1.452 [13CH3]Oc1ccc(c(c1)N)C(=O)N 34a_100012186684_200025704644 [0,2,0,0,0,0|1,0,0]=3 2561 B12R1.452 [13CH3]Oc1ccc(c(c1)N)C(=O)N 7a_100012186684_200025704644 [0,2,0,0,0,0|1,0,0]=3 2562 B12R1.452 [13CH3]Oc1ccc(c(c1)N)[N+](=O)[O-] 7a_100000729835_200025704644 [0,2,0,0,0,0|1,0,1]=4 2563 B12R1.452 [13CH3]Sc1ccc(c(c1)Br)C(=O)N 62a_200010146565_200025704644 [0,2,0,0,0,0|1,1,0]=4 2564 B12R1.452 [13CH3]Sc1ccc(c(c1)F)C(=O)N 62a_100000216903_200025704644 [0,2,0,0,0,0|1,1,0]=4 2565 B12R1.452 [13CH3]Sc1ccc(c(c1)N)C(=O)N 62a_100012349972_200025704644 [0,2,0,0,0,0|1,1,0]=4 2566 B12R1.452 [13CH3]Sc1ccc(c(c1)O)C(=O)N 62a_100011550861_200025704644 [0,2,0,0,0,0|1,1,0]=4 2567 B12R1.9 CC(C)(C=O)c1ccc(cc1)O 271570a_203496583355_100010228009 [0,2,0,0,0,0|1,0,1]=4 2568 B12R1.9 CCS(=O)(=O)c1ccc(cc1)O 271570a_203496583355_100000765143 [0,2,0,0,0,0|1,0,1]=4 2569 B12R1.9 CNS(=O)(=O)c1ccc(cc1)O 270084a_100102657272_100020667864 [0,2,0,0,0,0|1,0,1]=4 2570 B12R1.9 CNS(=O)(=O)c1ccc(cc1)O 271570a_203496583355_100000754977 [0,2,0,0,0,0|1,0,1]=4 2571 B12R1.9 CNS(=O)(=O)c1ccc(cc1)O 274078a_100102657272_100020667864 [0,2,0,0,0,0|1,0,1]=4 2572 B12R1.9 COS(=O)(=O)c1ccc(cc1)O 271570a_203496583355_100000004522 [0,2,0,0,0,0|1,0,0]=3 2573 B12R1.9 NNS(=O)(=O)c1ccc(cc1)O 271570a_203496583355_100000183514 [0,2,0,0,0,0|1,0,1]=4 2574 B12R1.23 CS(=O)(=O)c1ccc(c(c1)F)O 271570a_203496583355_100010234714 [0,2,0,0,0,0|1,0,1]=4 2575 B12R1.23 CS(=O)(=O)c1ccc(c(c1)N)O 271570a_203496583355_200015322649 [0,2,0,0,0,0|1,0,1]=4 2576 B12R1.23 Cc1cc(ccc1O)S(=O)(=O)C 271570a_203496583355_200010713620 [0,2,0,0,0,0|1,0,1]=4 2577 B12R1.23 Cc1cc(ccc1O)S(=O)(=O)N 271570a_203496583355_100000164573 [0,2,0,0,0,0|1,0,1]=4 2578 B12R1.23 NS(=O)(=O)c1ccc(c(c1)F)O 271570a_203496583355_100011217219 [0,2,0,0,0,0|1,0,1]=4 2579 B12R1.23 Nc1cc(ccc1O)S(=O)(=O)N 271570a_203496583355_100011222944 [0,2,0,0,0,0|1,0,1]=4 2580 B12R1.126 CS(=O)(=O)c1ccc(cc1F)O 271570a_203496583355_100010245844 [0,2,0,0,0,0|1,0,1]=4 2581 B12R1.126 Cc1cc(ccc1S(=O)(=O)C)O 271570a_203496583355_100010713630 [0,2,0,0,0,0|1,0,1]=4 2582 B12R1.126 Cc1cc(ccc1S(=O)(=O)N)O 271570a_203496583355_100011269632 [0,2,0,0,0,0|1,0,1]=4 2583 B12R1.126 NS(=O)(=O)c1ccc(cc1F)O 271570a_203496583355_100011219832 [0,2,0,0,0,0|1,0,1]=4 2584 B12R1.56 C#Cc1cc(ccc1C)C(=O)C 1458a_200012278110_200000210301 [0,2,0,0,0,0|2,0,0]=4 2585 B12R1.56 C#Cc1cc(ccc1C)C(=O)[13CH3] 1458a_200012278110_200025704644 [0,2,0,0,0,0|2,0,0]=4 2586 B12R1.56 C=C(C)c1ccc(c(c1)C#N)O 271570a_100000694244_100000687585 [0,2,0,0,0,0|2,0,0]=4 2587 B12R1.56 C=C(C)c1ccc(c(c1)C=O)O 271570a_100000694244_100000186750 [0,2,0,0,0,0|2,0,0]=4 2588 B12R1.56 C=C(C)c1ccc(c(c1)CC)O 271570a_100000694244_100012338938 [0,2,0,0,0,0|2,0,0]=4 2589 B12R1.56 C=C(C)c1ccc(c(c1)CN)O 271570a_100000694244_100000730032 [0,2,0,0,0,0|2,0,0]=4 2590 B12R1.56 C=C(C)c1ccc(c(c1)CO)O 271570a_100000694244_100000184703 [0,2,0,0,0,0|2,0,0]=4 2591 B12R1.56 C=C(C)c1ccc(c(c1)OC)O 271570a_100000694244_100000694246 [0,2,0,0,0,0|2,0,0]=4 2592 B12R1.56 C=Cc1cc(ccc1Br)C(=O)C 271570a_100011290941_100010146556 [0,2,0,0,0,0|2,0,0]=4 2593 B12R1.56 C=Cc1cc(ccc1C)C(=O)C 271570a_100011290941_100011934287 [0,2,0,0,0,0|2,0,0]=4 2594 B12R1.56 C=Cc1cc(ccc1C)C(=O)N 271570a_100011290941_100000186401 [0,2,0,0,0,0|2,0,0]=4 2595 B12R1.56 C=Cc1cc(ccc1F)C(=O)C 271570a_100011290941_100000239719 [0,2,0,0,0,0|2,0,0]=4 2596 B12R1.56 C=Cc1cc(ccc1F)C(=O)N 271570a_100011290941_100011202321 [0,2,0,0,0,0|2,0,0]=4 2597 B12R1.56 C=Cc1cc(ccc1N)C(=O)C 271570a_100011290941_100012029215 [0,2,0,0,0,0|2,0,0]=4 2598 B12R1.56 C=Cc1cc(ccc1O)C(=O)C 271570a_100011290941_100011772453 [0,2,0,0,0,0|1,0,0]=3 2599 B12R1.56 CC(=O)c1ccc(c(c1)C#N)Br 1458a_100010253904_200000210301 [0,2,0,0,0,0|2,0,0]=4 2600 B12R1.56 CC(=O)c1ccc(c(c1)C#N)Cl 1458a_100000696165_200000210301 [0,2,0,0,0,0|2,0,0]=4 2601 B12R1.56 CC(=O)c1ccc(c(c1)C#N)F 1458a_100000697239_200000210301 [0,2,0,0,0,0|2,0,0]=4 2602 B12R1.56 CC(=O)c1ccc(c(c1)C#N)O 1458a_100009875055_200000210301 [0,2,0,0,0,0|1,0,0]=3 2603 B12R1.56 CC(=O)c1ccc(c(c1)C#N)O 271570a_203496583355_100010125495 [0,2,0,0,0,0|1,0,0]=3 2604 B12R1.56 CC(=O)c1ccc(c(c1)CO)Br 1458a_100010218026_200000210301 [0,2,0,0,0,0|2,0,0]=4 2605 B12R1.56 CC(=O)c1ccc(c(c1)CO)F 1458a_100011803322_200000210301 [0,2,0,0,0,0|2,0,0]=4 2606 B12R1.56 CC(=O)c1ccc(c(c1)O[13CH3])C 34a_100000084092_200025704644 [0,2,0,0,0,0|2,0,0]=4 2607 B12R1.56 CC(=O)c1ccc(c(c1)O[13CH3])C 7a_100000084092_200025704644 [0,2,0,0,0,0|2,0,0]=4 2608 B12R1.56 CC(=O)c1ccc(c(c1)O[13CH3])F 34a_100000117923_200025704644 [0,2,0,0,0,0|2,0,0]=4 2609 B12R1.56 CC(=O)c1ccc(c(c1)O[13CH3])F 7a_100000117923_200025704644 [0,2,0,0,0,0|2,0,0]=4 2610 B12R1.56 CC(=O)c1ccc(c(c1)S[13CH3])Br 62a_100010146556_200025704644 [0,2,0,0,0,0|2,0,0]=4 2611 B12R1.56 CC(=O)c1ccc(c(c1)S[13CH3])Br 62a_200025704644_100010146556 [0,2,0,0,0,0|2,0,0]=4 2612 B12R1.56 CC(=O)c1ccc(c(c1)S[13CH3])C 62a_100011934287_200025704644 [0,2,0,0,0,0|2,0,0]=4 2613 B12R1.56 CC(=O)c1ccc(c(c1)S[13CH3])C 62a_200025704644_100011934287 [0,2,0,0,0,0|2,0,0]=4 2614 B12R1.56 CC(=O)c1ccc(c(c1)S[13CH3])F 62a_100000239719_200025704644 [0,2,0,0,0,0|2,0,0]=4 2615 B12R1.56 CC(=O)c1ccc(c(c1)S[13CH3])F 62a_200025704644_100000239719 [0,2,0,0,0,0|2,0,0]=4 2616 B12R1.56 CC(=O)c1ccc(c(c1)S[13CH3])N 62a_100012029215_200025704644 [0,2,0,0,0,0|2,0,0]=4 2617 B12R1.56 CC(=O)c1ccc(c(c1)S[13CH3])O 62a_100011772453_200025704644 [0,2,0,0,0,0|1,0,0]=3 2618 B12R1.56 CCc1cc(ccc1Br)C(=O)C 1458a_100010152358_200000210301 [0,2,0,0,0,0|2,0,0]=4 2619 B12R1.56 CCc1cc(ccc1Br)C(=O)[13CH3] 1458a_100010152358_200025704644 [0,2,0,0,0,0|2,0,0]=4 2620 B12R1.56 CCc1cc(ccc1Cl)C(=O)C 1458a_100000102533_200000210301 [0,2,0,0,0,0|2,0,0]=4 2621 B12R1.56 CCc1cc(ccc1Cl)C(=O)[13CH3] 1458a_100000102533_200025704644 [0,2,0,0,0,0|2,0,0]=4 2622 B12R1.56 CCc1cc(ccc1F)C(=O)C 1458a_100009883079_200000210301 [0,2,0,0,0,0|2,0,0]=4 2623 B12R1.56 CCc1cc(ccc1F)C(=O)[13CH3] 1458a_100009883079_200025704644 [0,2,0,0,0,0|2,0,0]=4 2624 B12R1.56 CNc1cc(ccc1C)C(=O)N 34a_100000188646_200000210301 [0,2,0,0,0,0|2,0,0]=4 2625 B12R1.56 CNc1cc(ccc1C)C(=O)N 7a_100000188646_200000210301 [0,2,0,0,0,0|2,0,0]=4 2626 B12R1.56 CNc1cc(ccc1Cl)C(=O)N 34a_100000736751_200000210301 [0,2,0,0,0,0|2,0,0]=4 2627 B12R1.56 CNc1cc(ccc1F)C(=O)N 34a_100000740466_200000210301 [0,2,0,0,0,0|2,0,0]=4 2628 B12R1.56 CNc1cc(ccc1O)[N+](=O)[O-] 7a_100000181223_200000210301 [0,2,0,0,0,0|1,0,1]=4 2629 B12R1.56 COc1cc(ccc1Br)C(=O)C 1458a_100011934951_200000210301 [0,2,0,0,0,0|2,0,0]=4 2630 B12R1.56 COc1cc(ccc1Br)C(=O)N 34a_100012344895_200000210301 [0,2,0,0,0,0|2,0,0]=4 2631 B12R1.56 COc1cc(ccc1Br)C(=O)N 7a_100012344895_200000210301 [0,2,0,0,0,0|2,0,0]=4 2632 B12R1.56 COc1cc(ccc1Br)C(=O)[13CH3] 1458a_100011934951_200025704644 [0,2,0,0,0,0|2,0,0]=4 2633 B12R1.56 COc1cc(ccc1C)C(=O)C 1458a_100000212341_200000210301 [0,2,0,0,0,0|2,0,0]=4 2634 B12R1.56 COc1cc(ccc1C)C(=O)C 34a_100000084092_200000210301 [0,2,0,0,0,0|2,0,0]=4 2635 B12R1.56 COc1cc(ccc1C)C(=O)C 7a_100000084092_200000210301 [0,2,0,0,0,0|2,0,0]=4 2636 B12R1.56 COc1cc(ccc1C)C(=O)[13CH3] 1458a_100000212341_200025704644 [0,2,0,0,0,0|2,0,0]=4 2637 B12R1.56 COc1cc(ccc1Cl)C(=O)C 1458a_100000181799_200000210301 [0,2,0,0,0,0|2,0,0]=4 2638 B12R1.56 COc1cc(ccc1Cl)C(=O)[13CH3] 1458a_100000181799_200025704644 [0,2,0,0,0,0|2,0,0]=4 2639 B12R1.56 COc1cc(ccc1F)C(=O)C 1458a_100000757635_200000210301 [0,2,0,0,0,0|2,0,0]=4 2640 B12R1.56 COc1cc(ccc1F)C(=O)C 34a_100000117923_200000210301 [0,2,0,0,0,0|2,0,0]=4 2641 B12R1.56 COc1cc(ccc1F)C(=O)C 7a_100000117923_200000210301 [0,2,0,0,0,0|2,0,0]=4 2642 B12R1.56 COc1cc(ccc1F)C(=O)[13CH3] 1458a_100000757635_200025704644 [0,2,0,0,0,0|2,0,0]=4 2643 B12R1.56 COc1cc(ccc1I)C(=O)C 1458a_100012356290_200000210301 [0,2,0,0,0,0|2,0,0]=4 2644 B12R1.56 COc1cc(ccc1I)C(=O)[13CH3] 1458a_100012356290_200025704644 [0,2,0,0,0,0|2,0,0]=4 2645 B12R1.56 COc1cc(ccc1N)C(=O)N 34a_100011850428_200000210301 [0,2,0,0,0,0|2,0,0]=4 2646 B12R1.56 COc1cc(ccc1N)C(=O)N 7a_100011850428_200000210301 [0,2,0,0,0,0|2,0,0]=4 2647 B12R1.56 COc1cc(ccc1O)B(O)O 271570a_203496583355_100012355544 [0,2,0,0,0,0|1,0,1]=4 2648 B12R1.56 COc1cc(ccc1O)C(=O)C 1458a_100000687070_200000210301 [0,2,0,0,0,0|1,0,0]=3 2649 B12R1.56 COc1cc(ccc1O)C(=O)C 271570a_203496583355_100010110075 [0,2,0,0,0,0|1,0,0]=3 2650 B12R1.56 COc1cc(ccc1O)C(=O)N 271570a_203496583355_100009817049 [0,2,0,0,0,0|1,0,0]=3 2651 B12R1.56 COc1cc(ccc1O)C(=O)[13CH3] 1458a_100000687070_200025704644 [0,2,0,0,0,0|1,0,0]=3 2652 B12R1.56 CSc1cc(ccc1Br)C(=O)C 62a_100010146556_200000210301 [0,2,0,0,0,0|2,0,0]=4 2653 B12R1.56 CSc1cc(ccc1Br)C(=O)C 62a_200000210301_100010146556 [0,2,0,0,0,0|2,0,0]=4 2654 B12R1.56 CSc1cc(ccc1C)C(=O)C 62a_100011934287_200000210301 [0,2,0,0,0,0|2,0,0]=4 2655 B12R1.56 CSc1cc(ccc1C)C(=O)C 62a_200000210301_100011934287 [0,2,0,0,0,0|2,0,0]=4 2656 B12R1.56 CSc1cc(ccc1C)C(=O)N 62a_100000186401_200000210301 [0,2,0,0,0,0|2,0,0]=4 2657 B12R1.56 CSc1cc(ccc1C)C(=O)N 62a_200000210301_100000186401 [0,2,0,0,0,0|2,0,0]=4 2658 B12R1.56 CSc1cc(ccc1F)C(=O)C 62a_100000239719_200000210301 [0,2,0,0,0,0|2,0,0]=4 2659 B12R1.56 CSc1cc(ccc1F)C(=O)C 62a_200000210301_100000239719 [0,2,0,0,0,0|2,0,0]=4 2660 B12R1.56 CSc1cc(ccc1F)C(=O)N 62a_100011202321_200000210301 [0,2,0,0,0,0|2,0,0]=4 2661 B12R1.56 CSc1cc(ccc1F)C(=O)N 62a_200000210301_100011202321 [0,2,0,0,0,0|2,0,0]=4 2662 B12R1.56 CSc1cc(ccc1N)C(=O)C 62a_100012029215_200000210301 [0,2,0,0,0,0|2,0,0]=4 2663 B12R1.56 CSc1cc(ccc1O)C(=O)C 62a_100011772453_200000210301 [0,2,0,0,0,0|1,0,0]=3 2664 B12R1.56 Cc1ccc(cc1N[13CH3])C(=O)N 34a_100000188646_200025704644 [0,2,0,0,0,0|2,0,0]=4 2665 B12R1.56 Cc1ccc(cc1N[13CH3])C(=O)N 7a_100000188646_200025704644 [0,2,0,0,0,0|2,0,0]=4 2666 B12R1.56 Cc1ccc(cc1S[13CH3])C(=O)N 62a_100000186401_200025704644 [0,2,0,0,0,0|2,0,0]=4 2667 B12R1.56 Cc1ccc(cc1S[13CH3])C(=O)N 62a_200025704644_100000186401 [0,2,0,0,0,0|2,0,0]=4 2668 B12R1.56 N#Cc1cc(ccc1O)B(O)O 271570a_203496583355_100000049296 [0,2,0,0,0,0|1,0,1]=4 2669 B12R1.56 O=Cc1cc(ccc1O)B(O)O 271570a_203496583355_200011083945 [0,2,0,0,0,0|1,0,1]=4 2670 B12R1.56 [13CH3]C(=O)c1ccc(c(c1)C#N)Br 1458a_100010253904_200025704644 [0,2,0,0,0,0|2,0,0]=4 2671 B12R1.56 [13CH3]C(=O)c1ccc(c(c1)C#N)Cl 1458a_100000696165_200025704644 [0,2,0,0,0,0|2,0,0]=4 2672 B12R1.56 [13CH3]C(=O)c1ccc(c(c1)C#N)F 1458a_100000697239_200025704644 [0,2,0,0,0,0|2,0,0]=4 2673 B12R1.56 [13CH3]C(=O)c1ccc(c(c1)C#N)O 1458a_100009875055_200025704644 [0,2,0,0,0,0|1,0,0]=3 2674 B12R1.56 [13CH3]C(=O)c1ccc(c(c1)CO)Br 1458a_100010218026_200025704644 [0,2,0,0,0,0|2,0,0]=4 2675 B12R1.56 [13CH3]C(=O)c1ccc(c(c1)CO)F 1458a_100011803322_200025704644 [0,2,0,0,0,0|2,0,0]=4 2676 B12R1.56 [13CH3]Nc1cc(ccc1Cl)C(=O)N 34a_100000736751_200025704644 [0,2,0,0,0,0|2,0,0]=4 2677 B12R1.56 [13CH3]Nc1cc(ccc1F)C(=O)N 34a_100000740466_200025704644 [0,2,0,0,0,0|2,0,0]=4 2678 B12R1.56 [13CH3]Nc1cc(ccc1O)[N+](=O)[O-] 7a_100000181223_200025704644 [0,2,0,0,0,0|1,0,1]=4 2679 B12R1.56 [13CH3]Oc1cc(ccc1Br)C(=O)N 34a_100012344895_200025704644 [0,2,0,0,0,0|2,0,0]=4 2680 B12R1.56 [13CH3]Oc1cc(ccc1Br)C(=O)N 7a_100012344895_200025704644 [0,2,0,0,0,0|2,0,0]=4 2681 B12R1.56 [13CH3]Oc1cc(ccc1N)C(=O)N 34a_100011850428_200025704644 [0,2,0,0,0,0|2,0,0]=4 2682 B12R1.56 [13CH3]Oc1cc(ccc1N)C(=O)N 7a_100011850428_200025704644 [0,2,0,0,0,0|2,0,0]=4 2683 B12R1.56 [13CH3]Sc1cc(ccc1F)C(=O)N 62a_100011202321_200025704644 [0,2,0,0,0,0|2,0,0]=4 2684 B12R1.56 [13CH3]Sc1cc(ccc1F)C(=O)N 62a_200025704644_100011202321 [0,2,0,0,0,0|2,0,0]=4 2685 B12R1.232 C=C(C)c1cc(c(cc1C)O)C 271570a_100000694244_100000698207 [0,2,0,0,0,0|2,0,0]=4 2686 B12R1.232 C=C(C)c1cc(c(cc1C)O)F 271570a_100000694244_100012355673 [0,2,0,0,0,0|2,0,0]=4 2687 B12R1.232 C=C(C)c1cc(c(cc1C)O)N 271570a_100000694244_200010235796 [0,2,0,0,0,0|2,0,0]=4 2688 B12R1.232 C=C(C)c1cc(c(cc1Cl)O)N 271570a_100000694244_100011011175 [0,2,0,0,0,0|2,0,0]=4 2689 B12R1.232 C=C(C)c1cc(c(cc1F)O)F 271570a_100000694244_100011830439 [0,2,0,0,0,0|2,0,0]=4 2690 B12R1.232 C=C(C)c1cc(c(cc1F)O)N 271570a_100000694244_100012359894 [0,2,0,0,0,0|2,0,0]=4 2691 B12R1.232 CC(=O)c1cc(c(cc1Br)C)F 1458a_200012355688_200000210301 [0,2,0,0,0,0|2,0,0]=4 2692 B12R1.232 CC(=O)c1cc(c(cc1Br)F)C 1458a_100010204433_200000210301 [0,2,0,0,0,0|2,0,0]=4 2693 B12R1.232 CC(=O)c1cc(c(cc1Br)F)Cl 1458a_100012921620_200000210301 [0,2,0,0,0,0|2,0,0]=4 2694 B12R1.232 CC(=O)c1cc(c(cc1Br)F)F 1458a_100000685074_200000210301 [0,2,0,0,0,0|2,0,0]=4 2695 B12R1.232 CC(=O)c1cc(c(cc1C)Br)C 1458a_100000695896_200000210301 [0,2,0,0,0,0|2,0,0]=4 2696 B12R1.232 CC(=O)c1cc(c(cc1C)Br)F 1458a_100012344525_200000210301 [0,2,0,0,0,0|2,0,0]=4 2697 B12R1.232 CC(=O)c1cc(c(cc1C)C)Br 1458a_100012920494_200000210301 [0,2,0,0,0,0|2,0,0]=4 2698 B12R1.232 CC(=O)c1cc(c(cc1C)C)C 1458a_100011216168_200000210301 [0,2,0,0,0,0|2,0,0]=4 2699 B12R1.232 CC(=O)c1cc(c(cc1C)C)I 1458a_100000723791_200000210301 [0,2,0,0,0,0|2,0,0]=4 2700 B12R1.232 CC(=O)c1cc(c(cc1C)Cl)Cl 1458a_100010439669_200000210301 [0,2,0,0,0,0|2,0,0]=4 2701 B12R1.232 CC(=O)c1cc(c(cc1C)Cl)F 1458a_200010768543_200000210301 [0,2,0,0,0,0|2,0,0]=4 2702 B12R1.232 CC(=O)c1cc(c(cc1C)F)Br 1458a_100000724332_200000210301 [0,2,0,0,0,0|2,0,0]=4 2703 B12R1.232 CC(=O)c1cc(c(cc1C)F)F 1458a_100000062099_200000210301 [0,2,0,0,0,0|2,0,0]=4 2704 B12R1.232 CC(=O)c1cc(c(cc1C)F)I 1458a_100013328184_200000210301 [0,2,0,0,0,0|2,0,0]=4 2705 B12R1.232 CC(=O)c1cc(c(cc1Cl)Br)Cl 1458a_100000246132_200000210301 [0,2,0,0,0,0|2,0,0]=4 2706 B12R1.232 CC(=O)c1cc(c(cc1Cl)Br)F 1458a_100000724438_200000210301 [0,2,0,0,0,0|2,0,0]=4 2707 B12R1.232 CC(=O)c1cc(c(cc1Cl)C)Cl 1458a_100013033594_200000210301 [0,2,0,0,0,0|2,0,0]=4 2708 B12R1.232 CC(=O)c1cc(c(cc1Cl)C)F 1458a_100009857485_200000210301 [0,2,0,0,0,0|2,0,0]=4 2709 B12R1.232 CC(=O)c1cc(c(cc1Cl)Cl)Cl 1458a_100011934218_200000210301 [0,2,0,0,0,0|2,0,0]=4 2710 B12R1.232 CC(=O)c1cc(c(cc1Cl)Cl)F 1458a_100000212284_200000210301 [0,2,0,0,0,0|2,0,0]=4 2711 B12R1.232 CC(=O)c1cc(c(cc1Cl)F)C 1458a_100000687843_200000210301 [0,2,0,0,0,0|2,0,0]=4 2712 B12R1.232 CC(=O)c1cc(c(cc1Cl)F)F 1458a_100025704182_200000210301 [0,2,0,0,0,0|2,0,0]=4 2713 B12R1.232 CC(=O)c1cc(c(cc1Cl)F)I 1458a_100012920486_200000210301 [0,2,0,0,0,0|2,0,0]=4 2714 B12R1.232 CC(=O)c1cc(c(cc1F)Br)Br 1458a_200011217225_200000210301 [0,2,0,0,0,0|2,0,0]=4 2715 B12R1.232 CC(=O)c1cc(c(cc1F)Br)C 1458a_100012354683_200000210301 [0,2,0,0,0,0|2,0,0]=4 2716 B12R1.232 CC(=O)c1cc(c(cc1F)Br)Cl 1458a_100012347732_200000210301 [0,2,0,0,0,0|2,0,0]=4 2717 B12R1.232 CC(=O)c1cc(c(cc1F)Br)F 1458a_100012024349_200000210301 [0,2,0,0,0,0|2,0,0]=4 2718 B12R1.232 CC(=O)c1cc(c(cc1F)C)Br 1458a_100012920545_200000210301 [0,2,0,0,0,0|2,0,0]=4 2719 B12R1.232 CC(=O)c1cc(c(cc1F)C)Cl 1458a_100012180961_200000210301 [0,2,0,0,0,0|2,0,0]=4 2720 B12R1.232 CC(=O)c1cc(c(cc1F)C)F 1458a_100000686409_200000210301 [0,2,0,0,0,0|2,0,0]=4 2721 B12R1.232 CC(=O)c1cc(c(cc1F)C)O 1458a_100009839767_200000210301 [0,2,0,0,0,0|2,0,0]=4 2722 B12R1.232 CC(=O)c1cc(c(cc1F)Cl)Br 1458a_100011217226_200000210301 [0,2,0,0,0,0|2,0,0]=4 2723 B12R1.232 CC(=O)c1cc(c(cc1F)Cl)Cl 1458a_100011217469_200000210301 [0,2,0,0,0,0|2,0,0]=4 2724 B12R1.232 CC(=O)c1cc(c(cc1F)Cl)F 1458a_100000690020_200000210301 [0,2,0,0,0,0|2,0,0]=4 2725 B12R1.232 CC(=O)c1cc(c(cc1F)Cl)I 1458a_100012920488_200000210301 [0,2,0,0,0,0|2,0,0]=4 2726 B12R1.232 CC(=O)c1cc(c(cc1F)F)Br 1458a_100000718434_200000210301 [0,2,0,0,0,0|2,0,0]=4 2727 B12R1.232 CC(=O)c1cc(c(cc1F)F)C 1458a_100000767126_200000210301 [0,2,0,0,0,0|2,0,0]=4 2728 B12R1.232 CC(=O)c1cc(c(cc1F)F)Cl 1458a_100011997751_200000210301 [0,2,0,0,0,0|2,0,0]=4 2729 B12R1.232 CC(=O)c1cc(c(cc1F)F)F 1458a_100000687535_200000210301 [0,2,0,0,0,0|2,0,0]=4 2730 B12R1.232 CC(=O)c1cc(c(cc1F)F)I 1458a_100000691139_200000210301 [0,2,0,0,0,0|2,0,0]=4 2731 B12R1.232 CC(=O)c1cc(c(cc1F)F)O 271570a_203496583355_100009817148 [0,2,0,0,0,0|2,0,0]=4 2732 B12R1.232 CC(=O)c1cc(c(cc1F)O)Cl 1458a_200009924051_200000210301 [0,2,0,0,0,0|1,0,0]=3 2733 B12R1.232 CC(=O)c1cc(c(cc1F)O)F 271570a_203496583355_100012024335 [0,2,0,0,0,0|1,0,0]=3 2734 B12R1.232 CC(=O)c1cc(c(cc1I)C)C 1458a_100010184404_200000210301 [0,2,0,0,0,0|2,0,0]=4 2735 B12R1.232 CC(=O)c1cc(c(cc1I)F)F 1458a_100000688017_200000210301 [0,2,0,0,0,0|2,0,0]=4 2736 B12R1.232 CC(=O)c1cc(c(cc1O)Br)F 1458a_100010827371_200000210301 [0,2,0,0,0,0|2,0,0]=4 2737 B12R1.232 CC(=O)c1cc(c(cc1O)C)Br 1458a_100010233826_200000210301 [0,2,0,0,0,0|2,0,0]=4 2738 B12R1.232 CC(=O)c1cc(c(cc1O)C)C 1458a_100009831561_200000210301 [0,2,0,0,0,0|2,0,0]=4 2739 B12R1.232 CC(=O)c1cc(c(cc1O)C)O 271570a_203496583355_200010233951 [0,2,0,0,0,0|2,0,0]=4 2740 B12R1.232 CC(=O)c1cc(c(cc1O)Cl)Br 1458a_200009814723_200000210301 [0,2,0,0,0,0|2,0,0]=4 2741 B12R1.232 CC(=O)c1cc(c(cc1O)F)Br 1458a_100010188153_200000210301 [0,2,0,0,0,0|2,0,0]=4 2742 B12R1.232 CC(=O)c1cc(c(cc1O)F)Cl 1458a_100009910333_200000210301 [0,2,0,0,0,0|2,0,0]=4 2743 B12R1.232 CC(=O)c1cc(c(cc1O)F)F 1458a_100012182723_200000210301 [0,2,0,0,0,0|2,0,0]=4 2744 B12R1.232 CC(=O)c1cc(c(cc1O)F)F 271570a_203496583355_100013243444 [0,2,0,0,0,0|2,0,0]=4 2745 B12R1.232 CC(=O)c1cc(c(cc1O)F)O 271570a_203496583355_100000691652 [0,2,0,0,0,0|2,0,0]=4 2746 B12R1.232 CC(=O)c1cc(c(cc1O)O)Br 1458a_100009813906_200000210301 [0,2,0,0,0,0|1,0,0]=3 2747 B12R1.232 CC(=O)c1cc(c(cc1O)O)C 271570a_203496583355_100009816031 [0,2,0,0,0,0|1,0,0]=3 2748 B12R1.232 CC(=O)c1cc(c(cc1O)O)F 271570a_203496583355_200010245088 [0,2,0,0,0,0|1,0,0]=3 2749 B12R1.232 Cc1cc(c(cc1Br)C(=O)[13CH3])C 1458a_100012920494_200025704644 [0,2,0,0,0,0|2,0,0]=4 2750 B12R1.232 Cc1cc(c(cc1Br)C(=O)[13CH3])F 1458a_100012920545_200025704644 [0,2,0,0,0,0|2,0,0]=4 2751 B12R1.232 Cc1cc(c(cc1Br)C(=O)[13CH3])O 1458a_100010233826_200025704644 [0,2,0,0,0,0|2,0,0]=4 2752 B12R1.232 Cc1cc(c(cc1Br)C)C(=O)[13CH3] 1458a_100000695896_200025704644 [0,2,0,0,0,0|2,0,0]=4 2753 B12R1.232 Cc1cc(c(cc1Br)F)C(=O)[13CH3] 1458a_100012354683_200025704644 [0,2,0,0,0,0|2,0,0]=4 2754 B12R1.232 Cc1cc(c(cc1C(=O)[13CH3])Br)F 1458a_100000724332_200025704644 [0,2,0,0,0,0|2,0,0]=4 2755 B12R1.232 Cc1cc(c(cc1C(=O)[13CH3])Cl)Cl 1458a_100010439669_200025704644 [0,2,0,0,0,0|2,0,0]=4 2756 B12R1.232 Cc1cc(c(cc1C(=O)[13CH3])F)Br 1458a_100012344525_200025704644 [0,2,0,0,0,0|2,0,0]=4 2757 B12R1.232 Cc1cc(c(cc1C(=O)[13CH3])F)Cl 1458a_200010768543_200025704644 [0,2,0,0,0,0|2,0,0]=4 2758 B12R1.232 Cc1cc(c(cc1C(=O)[13CH3])F)F 1458a_100000062099_200025704644 [0,2,0,0,0,0|2,0,0]=4 2759 B12R1.232 Cc1cc(c(cc1C(=O)[13CH3])I)F 1458a_100013328184_200025704644 [0,2,0,0,0,0|2,0,0]=4 2760 B12R1.232 Cc1cc(c(cc1C)C(=O)[13CH3])C 1458a_100011216168_200025704644 [0,2,0,0,0,0|2,0,0]=4 2761 B12R1.232 Cc1cc(c(cc1C)C(=O)[13CH3])I 1458a_100010184404_200025704644 [0,2,0,0,0,0|2,0,0]=4 2762 B12R1.232 Cc1cc(c(cc1C)C(=O)[13CH3])O 1458a_100009831561_200025704644 [0,2,0,0,0,0|2,0,0]=4 2763 B12R1.232 Cc1cc(c(cc1Cl)C(=O)[13CH3])Cl 1458a_100013033594_200025704644 [0,2,0,0,0,0|2,0,0]=4 2764 B12R1.232 Cc1cc(c(cc1Cl)C(=O)[13CH3])F 1458a_100012180961_200025704644 [0,2,0,0,0,0|2,0,0]=4 2765 B12R1.232 Cc1cc(c(cc1F)Br)C(=O)[13CH3] 1458a_100010204433_200025704644 [0,2,0,0,0,0|2,0,0]=4 2766 B12R1.232 Cc1cc(c(cc1F)C(=O)[13CH3])Br 1458a_200012355688_200025704644 [0,2,0,0,0,0|2,0,0]=4 2767 B12R1.232 Cc1cc(c(cc1F)C(=O)[13CH3])Cl 1458a_100009857485_200025704644 [0,2,0,0,0,0|2,0,0]=4 2768 B12R1.232 Cc1cc(c(cc1F)C(=O)[13CH3])F 1458a_100000686409_200025704644 [0,2,0,0,0,0|2,0,0]=4 2769 B12R1.232 Cc1cc(c(cc1F)Cl)C(=O)[13CH3] 1458a_100000687843_200025704644 [0,2,0,0,0,0|2,0,0]=4 2770 B12R1.232 Cc1cc(c(cc1F)F)C(=O)[13CH3] 1458a_100000767126_200025704644 [0,2,0,0,0,0|2,0,0]=4 2771 B12R1.232 Cc1cc(c(cc1I)C(=O)[13CH3])C 1458a_100000723791_200025704644 [0,2,0,0,0,0|2,0,0]=4 2772 B12R1.232 Cc1cc(c(cc1O)C(=O)[13CH3])F 1458a_100009839767_200025704644 [0,2,0,0,0,0|2,0,0]=4 2773 B12R1.232 Cc1cc(c(cc1O)C)B(O)O 271570a_203496583355_200009814245 [0,2,0,0,0,0|1,0,1]=4 2774 B12R1.232 Cc1cc(c(cc1O)F)B(O)O 271570a_203496583355_100010264400 [0,2,0,0,0,0|1,0,1]=4 2775 B12R1.232 NC(=O)c1cc(c(cc1F)F)O 271570a_203496583355_100015235948 [0,2,0,0,0,0|2,0,0]=4 2776 B12R1.232 NC(=O)c1cc(c(cc1F)O)F 271570a_203496583355_100010244962 [0,2,0,0,0,0|1,0,0]=3 2777 B12R1.232 NC(=O)c1cc(c(cc1N)F)O 271570a_203496583355_100015444839 [0,2,0,0,0,0|2,0,0]=4 2778 B12R1.232 OB(O)c1cc(c(cc1F)O)F 271570a_203496583355_100010179101 [0,2,0,0,0,0|1,0,1]=4 2779 B12R1.232 [13CH3]C(=O)c1cc(c(cc1Br)F)Cl 1458a_100012921620_200025704644 [0,2,0,0,0,0|2,0,0]=4 2780 B12R1.232 [13CH3]C(=O)c1cc(c(cc1Br)F)F 1458a_100000685074_200025704644 [0,2,0,0,0,0|2,0,0]=4 2781 B12R1.232 [13CH3]C(=O)c1cc(c(cc1Cl)Br)Cl 1458a_100000246132_200025704644 [0,2,0,0,0,0|2,0,0]=4 2782 B12R1.232 [13CH3]C(=O)c1cc(c(cc1Cl)Br)F 1458a_100000724438_200025704644 [0,2,0,0,0,0|2,0,0]=4 2783 B12R1.232 [13CH3]C(=O)c1cc(c(cc1Cl)Cl)Cl 1458a_100011934218_200025704644 [0,2,0,0,0,0|2,0,0]=4 2784 B12R1.232 [13CH3]C(=O)c1cc(c(cc1Cl)Cl)F 1458a_100000212284_200025704644 [0,2,0,0,0,0|2,0,0]=4 2785 B12R1.232 [13CH3]C(=O)c1cc(c(cc1Cl)F)F 1458a_100025704182_200025704644 [0,2,0,0,0,0|2,0,0]=4 2786 B12R1.232 [13CH3]C(=O)c1cc(c(cc1Cl)F)I 1458a_100012920486_200025704644 [0,2,0,0,0,0|2,0,0]=4 2787 B12R1.232 [13CH3]C(=O)c1cc(c(cc1F)Br)Br 1458a_200011217225_200025704644 [0,2,0,0,0,0|2,0,0]=4 2788 B12R1.232 [13CH3]C(=O)c1cc(c(cc1F)Br)Cl 1458a_100012347732_200025704644 [0,2,0,0,0,0|2,0,0]=4 2789 B12R1.232 [13CH3]C(=O)c1cc(c(cc1F)Br)F 1458a_100012024349_200025704644 [0,2,0,0,0,0|2,0,0]=4 2790 B12R1.232 [13CH3]C(=O)c1cc(c(cc1F)Cl)Br 1458a_100011217226_200025704644 [0,2,0,0,0,0|2,0,0]=4 2791 B12R1.232 [13CH3]C(=O)c1cc(c(cc1F)Cl)Cl 1458a_100011217469_200025704644 [0,2,0,0,0,0|2,0,0]=4 2792 B12R1.232 [13CH3]C(=O)c1cc(c(cc1F)Cl)F 1458a_100000690020_200025704644 [0,2,0,0,0,0|2,0,0]=4 2793 B12R1.232 [13CH3]C(=O)c1cc(c(cc1F)Cl)I 1458a_100012920488_200025704644 [0,2,0,0,0,0|2,0,0]=4 2794 B12R1.232 [13CH3]C(=O)c1cc(c(cc1F)F)Br 1458a_100000718434_200025704644 [0,2,0,0,0,0|2,0,0]=4 2795 B12R1.232 [13CH3]C(=O)c1cc(c(cc1F)F)Cl 1458a_100011997751_200025704644 [0,2,0,0,0,0|2,0,0]=4 2796 B12R1.232 [13CH3]C(=O)c1cc(c(cc1F)F)F 1458a_100000687535_200025704644 [0,2,0,0,0,0|2,0,0]=4 2797 B12R1.232 [13CH3]C(=O)c1cc(c(cc1F)F)I 1458a_100000691139_200025704644 [0,2,0,0,0,0|2,0,0]=4 2798 B12R1.232 [13CH3]C(=O)c1cc(c(cc1F)O)Cl 1458a_200009924051_200025704644 [0,2,0,0,0,0|1,0,0]=3 2799 B12R1.232 [13CH3]C(=O)c1cc(c(cc1I)F)F 1458a_100000688017_200025704644 [0,2,0,0,0,0|2,0,0]=4 2800 B12R1.232 [13CH3]C(=O)c1cc(c(cc1O)Br)F 1458a_100010827371_200025704644 [0,2,0,0,0,0|2,0,0]=4 2801 B12R1.232 [13CH3]C(=O)c1cc(c(cc1O)Cl)Br 1458a_200009814723_200025704644 [0,2,0,0,0,0|2,0,0]=4 2802 B12R1.232 [13CH3]C(=O)c1cc(c(cc1O)F)Br 1458a_100010188153_200025704644 [0,2,0,0,0,0|2,0,0]=4 2803 B12R1.232 [13CH3]C(=O)c1cc(c(cc1O)F)Cl 1458a_100009910333_200025704644 [0,2,0,0,0,0|2,0,0]=4 2804 B12R1.232 [13CH3]C(=O)c1cc(c(cc1O)F)F 1458a_100012182723_200025704644 [0,2,0,0,0,0|2,0,0]=4 2805 B12R1.232 [13CH3]C(=O)c1cc(c(cc1O)O)Br 1458a_100009813906_200025704644 [0,2,0,0,0,0|1,0,0]=3 2806 B12R1.367 CCC(=O)c1ccc(c(c1)Br)Br 1458a_100012339404_100000210202 [0,2,0,0,0,0|2,0,0]=4 2807 B12R1.367 CCC(=O)c1ccc(c(c1)Br)C 1458a_100000186397_100000210202 [0,2,0,0,0,0|2,0,0]=4 2808 B12R1.367 CCC(=O)c1ccc(c(c1)Br)Cl 1458a_100000691181_100000210202 [0,2,0,0,0,0|2,0,0]=4 2809 B12R1.367 CCC(=O)c1ccc(c(c1)Br)F 1458a_100000760357_100000210202 [0,2,0,0,0,0|2,0,0]=4 2810 B12R1.367 CCC(=O)c1ccc(c(c1)Br)I 1458a_100000739115_100000210202 [0,2,0,0,0,0|2,0,0]=4 2811 B12R1.367 CCC(=O)c1ccc(c(c1)Br)O 1458a_100000189672_100000210202 [0,2,0,0,0,0|1,0,0]=3 2812 B12R1.367 CCC(=O)c1ccc(c(c1)C)Br 1458a_100000692631_100000210202 [0,2,0,0,0,0|2,0,0]=4 2813 B12R1.367 CCC(=O)c1ccc(c(c1)C)C 1458a_100000210898_100000210202 [0,2,0,0,0,0|2,0,0]=4 2814 B12R1.367 CCC(=O)c1ccc(c(c1)C)Cl 1458a_100000686306_100000210202 [0,2,0,0,0,0|2,0,0]=4 2815 B12R1.367 CCC(=O)c1ccc(c(c1)C)F 1458a_100000751819_100000210202 [0,2,0,0,0,0|2,0,0]=4 2816 B12R1.367 CCC(=O)c1ccc(c(c1)C)I 1458a_100000751300_100000210202 [0,2,0,0,0,0|2,0,0]=4 2817 B12R1.367 CCC(=O)c1ccc(c(c1)C)O 1458a_100000685612_100000210202 [0,2,0,0,0,0|1,0,0]=3 2818 B12R1.367 CCC(=O)c1ccc(c(c1)C)O 271570a_203496583355_200012349626 [0,2,0,0,0,0|1,0,0]=3 2819 B12R1.367 CCC(=O)c1ccc(c(c1)Cl)Br 1458a_100000687082_100000210202 [0,2,0,0,0,0|2,0,0]=4 2820 B12R1.367 CCC(=O)c1ccc(c(c1)Cl)C 1458a_100000751740_100000210202 [0,2,0,0,0,0|2,0,0]=4 2821 B12R1.367 CCC(=O)c1ccc(c(c1)Cl)Cl 1458a_100000210401_100000210202 [0,2,0,0,0,0|2,0,0]=4 2822 B12R1.367 CCC(=O)c1ccc(c(c1)Cl)F 1458a_100000686462_100000210202 [0,2,0,0,0,0|2,0,0]=4 2823 B12R1.367 CCC(=O)c1ccc(c(c1)Cl)I 1458a_100000684831_100000210202 [0,2,0,0,0,0|2,0,0]=4 2824 B12R1.367 CCC(=O)c1ccc(c(c1)Cl)O 1458a_100000212196_100000210202 [0,2,0,0,0,0|1,0,0]=3 2825 B12R1.367 CCC(=O)c1ccc(c(c1)F)Br 1458a_100000743946_100000210202 [0,2,0,0,0,0|2,0,0]=4 2826 B12R1.367 CCC(=O)c1ccc(c(c1)F)C 1458a_100000212313_100000210202 [0,2,0,0,0,0|2,0,0]=4 2827 B12R1.367 CCC(=O)c1ccc(c(c1)F)Cl 1458a_100000743183_100000210202 [0,2,0,0,0,0|2,0,0]=4 2828 B12R1.367 CCC(=O)c1ccc(c(c1)F)F 1458a_100000209822_100000210202 [0,2,0,0,0,0|2,0,0]=4 2829 B12R1.367 CCC(=O)c1ccc(c(c1)F)I 1458a_100000062624_100000210202 [0,2,0,0,0,0|2,0,0]=4 2830 B12R1.367 CCC(=O)c1ccc(c(c1)F)O 1458a_100000185466_100000210202 [0,2,0,0,0,0|1,0,0]=3 2831 B12R1.367 CCC(=O)c1ccc(c(c1)I)Br 1458a_100012343876_100000210202 [0,2,0,0,0,0|2,0,0]=4 2832 B12R1.367 CCC(=O)c1ccc(c(c1)I)C 1458a_100000751299_100000210202 [0,2,0,0,0,0|2,0,0]=4 2833 B12R1.367 CCC(=O)c1ccc(c(c1)I)Cl 1458a_100000739381_100000210202 [0,2,0,0,0,0|2,0,0]=4 2834 B12R1.367 CCC(=O)c1ccc(c(c1)I)F 1458a_100000688015_100000210202 [0,2,0,0,0,0|2,0,0]=4 2835 B12R1.367 CCC(=O)c1ccc(c(c1)I)I 1458a_100000725830_100000210202 [0,2,0,0,0,0|2,0,0]=4 2836 B12R1.367 CCC(=O)c1ccc(c(c1)I)O 1458a_100000037485_100000210202 [0,2,0,0,0,0|1,0,0]=3 2837 B12R1.367 CCC(=O)c1ccc(c(c1)O)Br 1458a_100000689001_100000210202 [0,2,0,0,0,0|2,0,0]=4 2838 B12R1.367 CCC(=O)c1ccc(c(c1)O)C 1458a_100000233767_100000210202 [0,2,0,0,0,0|2,0,0]=4 2839 B12R1.367 CCC(=O)c1ccc(c(c1)O)Cl 1458a_100011933997_100000210202 [0,2,0,0,0,0|2,0,0]=4 2840 B12R1.367 CCC(=O)c1ccc(c(c1)O)F 1458a_100000035894_100000210202 [0,2,0,0,0,0|2,0,0]=4 2841 B12R1.367 CCC(=O)c1ccc(c(c1)O)F 271570a_203496583355_100011216493 [0,2,0,0,0,0|2,0,0]=4 2842 B12R1.367 CCC(=O)c1ccc(c(c1)O)I 1458a_100000239334_100000210202 [0,2,0,0,0,0|2,0,0]=4 2843 B12R1.367 CCC(=O)c1ccc(c(c1)O)O 1458a_100000212155_100000210202 [0,2,0,0,0,0|1,0,0]=3 2844 B12R1.367 CNC(=O)c1ccc(c(c1)Br)Br 11a_106832991635_100012339404 [0,2,0,0,0,0|2,0,0]=4 2845 B12R1.367 CNC(=O)c1ccc(c(c1)Br)Br 1626a_100102657272_100012339404 [0,2,0,0,0,0|2,0,0]=4 2846 B12R1.367 CNC(=O)c1ccc(c(c1)Br)Br 240690a_100102657272_100012339404 [0,2,0,0,0,0|2,0,0]=4 2847 B12R1.367 CNC(=O)c1ccc(c(c1)Br)Br 527a_100102657272_100012339404 [0,2,0,0,0,0|2,0,0]=4 2848 B12R1.367 CNC(=O)c1ccc(c(c1)Br)C 11a_106832991635_100000186397 [0,2,0,0,0,0|2,0,0]=4 2849 B12R1.367 CNC(=O)c1ccc(c(c1)Br)C 1626a_100102657272_100000186397 [0,2,0,0,0,0|2,0,0]=4 2850 B12R1.367 CNC(=O)c1ccc(c(c1)Br)C 240690a_100102657272_100000186397 [0,2,0,0,0,0|2,0,0]=4 2851 B12R1.367 CNC(=O)c1ccc(c(c1)Br)C 527a_100102657272_100000186397 [0,2,0,0,0,0|2,0,0]=4 2852 B12R1.367 CNC(=O)c1ccc(c(c1)Br)Cl 11a_106832991635_100000691181 [0,2,0,0,0,0|2,0,0]=4 2853 B12R1.367 CNC(=O)c1ccc(c(c1)Br)Cl 1626a_100102657272_100000691181 [0,2,0,0,0,0|2,0,0]=4 2854 B12R1.367 CNC(=O)c1ccc(c(c1)Br)Cl 240690a_100102657272_100000691181 [0,2,0,0,0,0|2,0,0]=4 2855 B12R1.367 CNC(=O)c1ccc(c(c1)Br)Cl 527a_100102657272_100000691181 [0,2,0,0,0,0|2,0,0]=4 2856 B12R1.367 CNC(=O)c1ccc(c(c1)Br)F 11a_106832991635_100000760357 [0,2,0,0,0,0|2,0,0]=4 2857 B12R1.367 CNC(=O)c1ccc(c(c1)Br)F 1626a_100102657272_100000760357 [0,2,0,0,0,0|2,0,0]=4 2858 B12R1.367 CNC(=O)c1ccc(c(c1)Br)F 240690a_100102657272_100000760357 [0,2,0,0,0,0|2,0,0]=4 2859 B12R1.367 CNC(=O)c1ccc(c(c1)Br)F 527a_100102657272_100000760357 [0,2,0,0,0,0|2,0,0]=4 2860 B12R1.367 CNC(=O)c1ccc(c(c1)Br)I 11a_106832991635_100000739115 [0,2,0,0,0,0|2,0,0]=4 2861 B12R1.367 CNC(=O)c1ccc(c(c1)Br)I 1626a_100102657272_100000739115 [0,2,0,0,0,0|2,0,0]=4 2862 B12R1.367 CNC(=O)c1ccc(c(c1)Br)I 240690a_100102657272_100000739115 [0,2,0,0,0,0|2,0,0]=4 2863 B12R1.367 CNC(=O)c1ccc(c(c1)Br)I 527a_100102657272_100000739115 [0,2,0,0,0,0|2,0,0]=4 2864 B12R1.367 CNC(=O)c1ccc(c(c1)Br)O 240690a_100102657272_100000189672 [0,2,0,0,0,0|1,0,0]=3 2865 B12R1.367 CNC(=O)c1ccc(c(c1)C)Br 11a_106832991635_100000692631 [0,2,0,0,0,0|2,0,0]=4 2866 B12R1.367 CNC(=O)c1ccc(c(c1)C)Br 1626a_100102657272_100000692631 [0,2,0,0,0,0|2,0,0]=4 2867 B12R1.367 CNC(=O)c1ccc(c(c1)C)Br 240690a_100102657272_100000692631 [0,2,0,0,0,0|2,0,0]=4 2868 B12R1.367 CNC(=O)c1ccc(c(c1)C)Br 527a_100102657272_100000692631 [0,2,0,0,0,0|2,0,0]=4 2869 B12R1.367 CNC(=O)c1ccc(c(c1)C)C 11a_106832991635_100000210898 [0,2,0,0,0,0|2,0,0]=4 2870 B12R1.367 CNC(=O)c1ccc(c(c1)C)C 1626a_100102657272_100000210898 [0,2,0,0,0,0|2,0,0]=4 2871 B12R1.367 CNC(=O)c1ccc(c(c1)C)C 240690a_100102657272_100000210898 [0,2,0,0,0,0|2,0,0]=4 2872 B12R1.367 CNC(=O)c1ccc(c(c1)C)C 527a_100102657272_100000210898 [0,2,0,0,0,0|2,0,0]=4 2873 B12R1.367 CNC(=O)c1ccc(c(c1)C)Cl 11a_106832991635_100000686306 [0,2,0,0,0,0|2,0,0]=4 2874 B12R1.367 CNC(=O)c1ccc(c(c1)C)Cl 1626a_100102657272_100000686306 [0,2,0,0,0,0|2,0,0]=4 2875 B12R1.367 CNC(=O)c1ccc(c(c1)C)Cl 240690a_100102657272_100000686306 [0,2,0,0,0,0|2,0,0]=4 2876 B12R1.367 CNC(=O)c1ccc(c(c1)C)Cl 527a_100102657272_100000686306 [0,2,0,0,0,0|2,0,0]=4 2877 B12R1.367 CNC(=O)c1ccc(c(c1)C)F 11a_106832991635_100000751819 [0,2,0,0,0,0|2,0,0]=4 2878 B12R1.367 CNC(=O)c1ccc(c(c1)C)F 1626a_100102657272_100000751819 [0,2,0,0,0,0|2,0,0]=4 2879 B12R1.367 CNC(=O)c1ccc(c(c1)C)F 240690a_100102657272_100000751819 [0,2,0,0,0,0|2,0,0]=4 2880 B12R1.367 CNC(=O)c1ccc(c(c1)C)F 527a_100102657272_100000751819 [0,2,0,0,0,0|2,0,0]=4 2881 B12R1.367 CNC(=O)c1ccc(c(c1)C)I 11a_106832991635_100000751300 [0,2,0,0,0,0|2,0,0]=4 2882 B12R1.367 CNC(=O)c1ccc(c(c1)C)I 1626a_100102657272_100000751300 [0,2,0,0,0,0|2,0,0]=4 2883 B12R1.367 CNC(=O)c1ccc(c(c1)C)I 240690a_100102657272_100000751300 [0,2,0,0,0,0|2,0,0]=4 2884 B12R1.367 CNC(=O)c1ccc(c(c1)C)I 527a_100102657272_100000751300 [0,2,0,0,0,0|2,0,0]=4 2885 B12R1.367 CNC(=O)c1ccc(c(c1)C)O 240690a_100102657272_100000685612 [0,2,0,0,0,0|1,0,0]=3 2886 B12R1.367 CNC(=O)c1ccc(c(c1)C)O 271570a_203496583355_200013065384 [0,2,0,0,0,0|1,0,0]=3 2887 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)Br 11a_106832991635_100000687082 [0,2,0,0,0,0|2,0,0]=4 2888 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)Br 1626a_100102657272_100000687082 [0,2,0,0,0,0|2,0,0]=4 2889 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)Br 240690a_100102657272_100000687082 [0,2,0,0,0,0|2,0,0]=4 2890 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)Br 527a_100102657272_100000687082 [0,2,0,0,0,0|2,0,0]=4 2891 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)C 11a_106832991635_100000751740 [0,2,0,0,0,0|2,0,0]=4 2892 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)C 1626a_100102657272_100000751740 [0,2,0,0,0,0|2,0,0]=4 2893 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)C 240690a_100102657272_100000751740 [0,2,0,0,0,0|2,0,0]=4 2894 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)C 527a_100102657272_100000751740 [0,2,0,0,0,0|2,0,0]=4 2895 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)Cl 11a_106832991635_100000210401 [0,2,0,0,0,0|2,0,0]=4 2896 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)Cl 1626a_100102657272_100000210401 [0,2,0,0,0,0|2,0,0]=4 2897 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)Cl 240690a_100102657272_100000210401 [0,2,0,0,0,0|2,0,0]=4 2898 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)Cl 527a_100102657272_100000210401 [0,2,0,0,0,0|2,0,0]=4 2899 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)F 11a_106832991635_100000686462 [0,2,0,0,0,0|2,0,0]=4 2900 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)F 1626a_100102657272_100000686462 [0,2,0,0,0,0|2,0,0]=4 2901 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)F 240690a_100102657272_100000686462 [0,2,0,0,0,0|2,0,0]=4 2902 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)F 527a_100102657272_100000686462 [0,2,0,0,0,0|2,0,0]=4 2903 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)I 11a_106832991635_100000684831 [0,2,0,0,0,0|2,0,0]=4 2904 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)I 1626a_100102657272_100000684831 [0,2,0,0,0,0|2,0,0]=4 2905 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)I 240690a_100102657272_100000684831 [0,2,0,0,0,0|2,0,0]=4 2906 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)I 527a_100102657272_100000684831 [0,2,0,0,0,0|2,0,0]=4 2907 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)O 240690a_100102657272_100000212196 [0,2,0,0,0,0|1,0,0]=3 2908 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)O 527a_100102657272_100000212196 [0,2,0,0,0,0|1,0,0]=3 2909 B12R1.367 CNC(=O)c1ccc(c(c1)F)Br 11a_106832991635_100000743946 [0,2,0,0,0,0|2,0,0]=4 2910 B12R1.367 CNC(=O)c1ccc(c(c1)F)Br 1626a_100102657272_100000743946 [0,2,0,0,0,0|2,0,0]=4 2911 B12R1.367 CNC(=O)c1ccc(c(c1)F)Br 240690a_100102657272_100000743946 [0,2,0,0,0,0|2,0,0]=4 2912 B12R1.367 CNC(=O)c1ccc(c(c1)F)Br 527a_100102657272_100000743946 [0,2,0,0,0,0|2,0,0]=4 2913 B12R1.367 CNC(=O)c1ccc(c(c1)F)C 11a_106832991635_100000212313 [0,2,0,0,0,0|2,0,0]=4 2914 B12R1.367 CNC(=O)c1ccc(c(c1)F)C 1626a_100102657272_100000212313 [0,2,0,0,0,0|2,0,0]=4 2915 B12R1.367 CNC(=O)c1ccc(c(c1)F)C 240690a_100102657272_100000212313 [0,2,0,0,0,0|2,0,0]=4 2916 B12R1.367 CNC(=O)c1ccc(c(c1)F)C 527a_100102657272_100000212313 [0,2,0,0,0,0|2,0,0]=4 2917 B12R1.367 CNC(=O)c1ccc(c(c1)F)Cl 11a_106832991635_100000743183 [0,2,0,0,0,0|2,0,0]=4 2918 B12R1.367 CNC(=O)c1ccc(c(c1)F)Cl 1626a_100102657272_100000743183 [0,2,0,0,0,0|2,0,0]=4 2919 B12R1.367 CNC(=O)c1ccc(c(c1)F)Cl 240690a_100102657272_100000743183 [0,2,0,0,0,0|2,0,0]=4 2920 B12R1.367 CNC(=O)c1ccc(c(c1)F)Cl 527a_100102657272_100000743183 [0,2,0,0,0,0|2,0,0]=4 2921 B12R1.367 CNC(=O)c1ccc(c(c1)F)F 11a_106832991635_100000209822 [0,2,0,0,0,0|2,0,0]=4 2922 B12R1.367 CNC(=O)c1ccc(c(c1)F)F 1626a_100102657272_100000209822 [0,2,0,0,0,0|2,0,0]=4 2923 B12R1.367 CNC(=O)c1ccc(c(c1)F)F 240690a_100102657272_100000209822 [0,2,0,0,0,0|2,0,0]=4 2924 B12R1.367 CNC(=O)c1ccc(c(c1)F)F 527a_100102657272_100000209822 [0,2,0,0,0,0|2,0,0]=4 2925 B12R1.367 CNC(=O)c1ccc(c(c1)F)I 11a_106832991635_100000062624 [0,2,0,0,0,0|2,0,0]=4 2926 B12R1.367 CNC(=O)c1ccc(c(c1)F)I 1626a_100102657272_100000062624 [0,2,0,0,0,0|2,0,0]=4 2927 B12R1.367 CNC(=O)c1ccc(c(c1)F)I 240690a_100102657272_100000062624 [0,2,0,0,0,0|2,0,0]=4 2928 B12R1.367 CNC(=O)c1ccc(c(c1)F)I 527a_100102657272_100000062624 [0,2,0,0,0,0|2,0,0]=4 2929 B12R1.367 CNC(=O)c1ccc(c(c1)F)O 240690a_100102657272_100000185466 [0,2,0,0,0,0|1,0,0]=3 2930 B12R1.367 CNC(=O)c1ccc(c(c1)F)O 527a_100102657272_100000185466 [0,2,0,0,0,0|1,0,0]=3 2931 B12R1.367 CNC(=O)c1ccc(c(c1)I)Br 11a_106832991635_100012343876 [0,2,0,0,0,0|2,0,0]=4 2932 B12R1.367 CNC(=O)c1ccc(c(c1)I)Br 1626a_100102657272_100012343876 [0,2,0,0,0,0|2,0,0]=4 2933 B12R1.367 CNC(=O)c1ccc(c(c1)I)Br 240690a_100102657272_100012343876 [0,2,0,0,0,0|2,0,0]=4 2934 B12R1.367 CNC(=O)c1ccc(c(c1)I)Br 527a_100102657272_100012343876 [0,2,0,0,0,0|2,0,0]=4 2935 B12R1.367 CNC(=O)c1ccc(c(c1)I)C 11a_106832991635_100000751299 [0,2,0,0,0,0|2,0,0]=4 2936 B12R1.367 CNC(=O)c1ccc(c(c1)I)C 1626a_100102657272_100000751299 [0,2,0,0,0,0|2,0,0]=4 2937 B12R1.367 CNC(=O)c1ccc(c(c1)I)C 240690a_100102657272_100000751299 [0,2,0,0,0,0|2,0,0]=4 2938 B12R1.367 CNC(=O)c1ccc(c(c1)I)C 527a_100102657272_100000751299 [0,2,0,0,0,0|2,0,0]=4 2939 B12R1.367 CNC(=O)c1ccc(c(c1)I)Cl 11a_106832991635_100000739381 [0,2,0,0,0,0|2,0,0]=4 2940 B12R1.367 CNC(=O)c1ccc(c(c1)I)Cl 1626a_100102657272_100000739381 [0,2,0,0,0,0|2,0,0]=4 2941 B12R1.367 CNC(=O)c1ccc(c(c1)I)Cl 240690a_100102657272_100000739381 [0,2,0,0,0,0|2,0,0]=4 2942 B12R1.367 CNC(=O)c1ccc(c(c1)I)Cl 527a_100102657272_100000739381 [0,2,0,0,0,0|2,0,0]=4 2943 B12R1.367 CNC(=O)c1ccc(c(c1)I)F 11a_106832991635_100000688015 [0,2,0,0,0,0|2,0,0]=4 2944 B12R1.367 CNC(=O)c1ccc(c(c1)I)F 1626a_100102657272_100000688015 [0,2,0,0,0,0|2,0,0]=4 2945 B12R1.367 CNC(=O)c1ccc(c(c1)I)F 240690a_100102657272_100000688015 [0,2,0,0,0,0|2,0,0]=4 2946 B12R1.367 CNC(=O)c1ccc(c(c1)I)F 527a_100102657272_100000688015 [0,2,0,0,0,0|2,0,0]=4 2947 B12R1.367 CNC(=O)c1ccc(c(c1)I)I 11a_106832991635_100000725830 [0,2,0,0,0,0|2,0,0]=4 2948 B12R1.367 CNC(=O)c1ccc(c(c1)I)I 1626a_100102657272_100000725830 [0,2,0,0,0,0|2,0,0]=4 2949 B12R1.367 CNC(=O)c1ccc(c(c1)I)I 240690a_100102657272_100000725830 [0,2,0,0,0,0|2,0,0]=4 2950 B12R1.367 CNC(=O)c1ccc(c(c1)I)I 527a_100102657272_100000725830 [0,2,0,0,0,0|2,0,0]=4 2951 B12R1.367 CNC(=O)c1ccc(c(c1)I)O 1626a_100102657272_100000037485 [0,2,0,0,0,0|1,0,0]=3 2952 B12R1.367 CNC(=O)c1ccc(c(c1)I)O 240690a_100102657272_100000037485 [0,2,0,0,0,0|1,0,0]=3 2953 B12R1.367 CNC(=O)c1ccc(c(c1)O)Br 240690a_100102657272_100000689001 [0,2,0,0,0,0|2,0,0]=4 2954 B12R1.367 CNC(=O)c1ccc(c(c1)O)Br 527a_100102657272_100000689001 [0,2,0,0,0,0|2,0,0]=4 2955 B12R1.367 CNC(=O)c1ccc(c(c1)O)C 240690a_100102657272_100000233767 [0,2,0,0,0,0|2,0,0]=4 2956 B12R1.367 CNC(=O)c1ccc(c(c1)O)Cl 240690a_100102657272_100011933997 [0,2,0,0,0,0|2,0,0]=4 2957 B12R1.367 CNC(=O)c1ccc(c(c1)O)Cl 527a_100102657272_100011933997 [0,2,0,0,0,0|2,0,0]=4 2958 B12R1.367 CNC(=O)c1ccc(c(c1)O)F 240690a_100102657272_100000035894 [0,2,0,0,0,0|2,0,0]=4 2959 B12R1.367 CNC(=O)c1ccc(c(c1)O)F 271570a_203496583355_200012359898 [0,2,0,0,0,0|2,0,0]=4 2960 B12R1.367 CNC(=O)c1ccc(c(c1)O)F 527a_100102657272_100000035894 [0,2,0,0,0,0|2,0,0]=4 2961 B12R1.367 CNC(=O)c1ccc(c(c1)O)I 1626a_100102657272_100000239334 [0,2,0,0,0,0|2,0,0]=4 2962 B12R1.367 CNC(=O)c1ccc(c(c1)O)I 240690a_100102657272_100000239334 [0,2,0,0,0,0|2,0,0]=4 2963 B12R1.367 CNC(=O)c1ccc(c(c1)O)I 527a_100102657272_100000239334 [0,2,0,0,0,0|2,0,0]=4 2964 B12R1.367 COC(=O)c1cc(c(cn1)C)O 271570a_203496583355_100000065005 [0,2,0,0,0,0|2,0,0]=4 2965 B12R1.367 COC(=O)c1cc(c(cn1)O)C 271570a_203496583355_100010080863 [0,2,0,0,0,0|1,0,0]=3 2966 B12R1.367 COC(=O)c1cc(c(cn1)O)N 271570a_203496583355_100016001589 [0,2,0,0,0,0|1,0,0]=3 2967 B12R1.367 COC(=O)c1cc(c(nn1)O)C 271570a_203496583355_100102422153 [0,2,0,0,0,0|2,0,0]=4 2968 B12R1.367 COC(=O)c1ccc(c(c1)Br)O 271570a_203496583355_100011294788 [0,2,0,0,0,0|0,0,0]=2 2969 B12R1.367 COC(=O)c1ccc(c(c1)C)O 271570a_203496583355_100011215878 [0,2,0,0,0,0|0,0,0]=2 2970 B12R1.367 COC(=O)c1ccc(c(c1)Cl)O 271570a_203496583355_100012356344 [0,2,0,0,0,0|0,0,0]=2 2971 B12R1.367 COC(=O)c1ccc(c(c1)F)O 271570a_203496583355_100000703229 [0,2,0,0,0,0|0,0,0]=2 2972 B12R1.367 COC(=O)c1ccc(c(c1)N)O 271570a_203496583355_100011450966 [0,2,0,0,0,0|0,0,0]=2 2973 B12R1.367 COC(=O)c1ccc(c(c1)O)Br 271570a_203496583355_100012349818 [0,2,0,0,0,0|1,0,0]=3 2974 B12R1.367 COC(=O)c1ccc(c(c1)O)C 271570a_203496583355_100011218856 [0,2,0,0,0,0|1,0,0]=3 2975 B12R1.367 COC(=O)c1ccc(c(c1)O)Cl 271570a_203496583355_100011294800 [0,2,0,0,0,0|1,0,0]=3 2976 B12R1.367 COC(=O)c1ccc(c(c1)O)F 271570a_203496583355_100000722584 [0,2,0,0,0,0|1,0,0]=3 2977 B12R1.367 COC(=O)c1ccc(c(c1)O)N 271570a_203496583355_100000187552 [0,2,0,0,0,0|1,0,0]=3 2978 B12R1.367 COC(=O)c1ccc(c(c1)O)O 271570a_203496583355_100000216328 [0,2,0,0,0,0|0,0,0]=2 2979 B12R1.367 COC(=O)c1ccc(c(c1)O)O 271570a_203496583355_100012350776 [0,2,0,0,0,0|0,0,0]=2 2980 B12R1.367 COC(=O)c1ccc(c(n1)C)O 271570a_203496583355_100010207261 [0,2,0,0,0,0|1,0,0]=3 2981 B12R1.367 COC(=O)c1ccc(c(n1)F)O 271570a_203496583355_100010189630 [0,2,0,0,0,0|1,0,0]=3 2982 B12R1.367 COC(=O)c1ccc(c(n1)N)O 271570a_203496583355_100010187631 [0,2,0,0,0,0|1,0,0]=3 2983 B12R1.367 COC(=O)c1ccc(c(n1)O)C 271570a_203496583355_100010143800 [0,2,0,0,0,0|2,0,0]=4 2984 B12R1.367 COC(=O)c1ccc(c(n1)O)F 271570a_203496583355_100010189626 [0,2,0,0,0,0|2,0,0]=4 2985 B12R1.367 COC(=O)c1ccc(c(n1)O)O 271570a_203496583355_100010189637 [0,2,0,0,0,0|1,0,0]=3 2986 B12R1.367 COC(=O)c1ccc(c(n1)O)O 271570a_203496583355_200009815348 [0,2,0,0,0,0|1,0,0]=3 2987 B12R1.367 COC(=O)c1cnc(c(c1)Br)O 271570a_203496583355_100010114297 [0,2,0,0,0,0|1,0,0]=3 2988 B12R1.367 COC(=O)c1cnc(c(c1)C)O 271570a_203496583355_100009862495 [0,2,0,0,0,0|1,0,0]=3 2989 B12R1.367 COC(=O)c1cnc(c(c1)F)O 271570a_203496583355_100010189625 [0,2,0,0,0,0|1,0,0]=3 2990 B12R1.367 COC(=O)c1cnc(c(c1)N)O 271570a_203496583355_100000079130 [0,2,0,0,0,0|1,0,0]=3 2991 B12R1.367 COC(=O)c1cnc(c(c1)O)Cl 271570a_203496583355_100010188758 [0,2,0,0,0,0|2,0,0]=4 2992 B12R1.367 COC(=O)c1cnc(c(c1)O)F 271570a_203496583355_100000117919 [0,2,0,0,0,0|2,0,0]=4 2993 B12R1.367 COC(=O)c1cnc(c(c1)O)N 271570a_203496583355_100009816800 [0,2,0,0,0,0|2,0,0]=4 2994 B12R1.367 COC(=O)c1cnc(c(c1)O)O 271570a_203496583355_100010109663 [0,2,0,0,0,0|1,0,0]=3 2995 B12R1.367 COC(=O)c1cnc(c(c1)O)O 271570a_203496583355_100010999399 [0,2,0,0,0,0|1,0,0]=3 2996 B12R1.367 COC(=O)c1cnc(c(n1)C)O 271570a_203496583355_100000109192 [0,2,0,0,0,0|2,0,0]=4 2997 B12R1.367 COC(=O)c1coc(=O)c(c1)O 271570a_203496583355_100009812866 [0,2,0,0,0,0|1,0,1]=4 2998 B12R1.367 Cc1cc(ccc1Br)C(=O)CF 1458a_100000692631_100015361967 [0,2,0,0,0,0|2,0,0]=4 2999 B12R1.367 Cc1cc(ccc1Cl)C(=O)CF 1458a_100000686306_100015361967 [0,2,0,0,0,0|2,0,0]=4 3000 B12R1.367 Cc1cc(ccc1F)C(=O)CF 1458a_100000751819_100015361967 [0,2,0,0,0,0|2,0,0]=4 3001 B12R1.367 Cc1cc(ccc1I)C(=O)CF 1458a_100000751300_100015361967 [0,2,0,0,0,0|2,0,0]=4 3002 B12R1.367 Cc1cc(ccc1O)C(=O)CF 1458a_100000685612_100015361967 [0,2,0,0,0,0|1,0,0]=3 3003 B12R1.367 Cc1cc(ccc1O)C(=O)NN 271570a_203496583355_100012339724 [0,2,0,0,0,0|1,0,0]=3 3004 B12R1.367 Cc1ccc(cc1Br)C(=O)CF 1458a_100000186397_100015361967 [0,2,0,0,0,0|2,0,0]=4 3005 B12R1.367 Cc1ccc(cc1C)C(=O)CF 1458a_100000210898_100015361967 [0,2,0,0,0,0|2,0,0]=4 3006 B12R1.367 Cc1ccc(cc1Cl)C(=O)CF 1458a_100000751740_100015361967 [0,2,0,0,0,0|2,0,0]=4 3007 B12R1.367 Cc1ccc(cc1F)C(=O)CF 1458a_100000212313_100015361967 [0,2,0,0,0,0|2,0,0]=4 3008 B12R1.367 Cc1ccc(cc1I)C(=O)CF 1458a_100000751299_100015361967 [0,2,0,0,0,0|2,0,0]=4 3009 B12R1.367 Cc1ccc(cc1O)C(=O)CF 1458a_100000233767_100015361967 [0,2,0,0,0,0|2,0,0]=4 3010 B12R1.367 Cc1ccc(cc1O)C(=O)NN 271570a_203496583355_100000188075 [0,2,0,0,0,0|2,0,0]=4 3011 B12R1.367 NCC(=O)c1ccc(c(c1)F)O 271570a_203496583355_100016989600 [0,2,0,0,0,0|1,0,0]=3 3012 B12R1.367 NNC(=O)c1ccc(c(c1)O)Cl 271570a_203496583355_100000046573 [0,2,0,0,0,0|2,0,0]=4 3013 B12R1.367 O=C(CF)c1ccc(c(c1)Br)Br 1458a_100012339404_100015361967 [0,2,0,0,0,0|2,0,0]=4 3014 B12R1.367 O=C(CF)c1ccc(c(c1)Br)Cl 1458a_100000691181_100015361967 [0,2,0,0,0,0|2,0,0]=4 3015 B12R1.367 O=C(CF)c1ccc(c(c1)Br)F 1458a_100000760357_100015361967 [0,2,0,0,0,0|2,0,0]=4 3016 B12R1.367 O=C(CF)c1ccc(c(c1)Br)I 1458a_100000739115_100015361967 [0,2,0,0,0,0|2,0,0]=4 3017 B12R1.367 O=C(CF)c1ccc(c(c1)Br)O 1458a_100000189672_100015361967 [0,2,0,0,0,0|1,0,0]=3 3018 B12R1.367 O=C(CF)c1ccc(c(c1)Cl)Br 1458a_100000687082_100015361967 [0,2,0,0,0,0|2,0,0]=4 3019 B12R1.367 O=C(CF)c1ccc(c(c1)Cl)Cl 1458a_100000210401_100015361967 [0,2,0,0,0,0|2,0,0]=4 3020 B12R1.367 O=C(CF)c1ccc(c(c1)Cl)F 1458a_100000686462_100015361967 [0,2,0,0,0,0|2,0,0]=4 3021 B12R1.367 O=C(CF)c1ccc(c(c1)Cl)I 1458a_100000684831_100015361967 [0,2,0,0,0,0|2,0,0]=4 3022 B12R1.367 O=C(CF)c1ccc(c(c1)Cl)O 1458a_100000212196_100015361967 [0,2,0,0,0,0|1,0,0]=3 3023 B12R1.367 O=C(CF)c1ccc(c(c1)F)Br 1458a_100000743946_100015361967 [0,2,0,0,0,0|2,0,0]=4 3024 B12R1.367 O=C(CF)c1ccc(c(c1)F)Cl 1458a_100000743183_100015361967 [0,2,0,0,0,0|2,0,0]=4 3025 B12R1.367 O=C(CF)c1ccc(c(c1)F)F 1458a_100000209822_100015361967 [0,2,0,0,0,0|2,0,0]=4 3026 B12R1.367 O=C(CF)c1ccc(c(c1)F)I 1458a_100000062624_100015361967 [0,2,0,0,0,0|2,0,0]=4 3027 B12R1.367 O=C(CF)c1ccc(c(c1)F)O 1458a_100000185466_100015361967 [0,2,0,0,0,0|1,0,0]=3 3028 B12R1.367 O=C(CF)c1ccc(c(c1)I)Br 1458a_100012343876_100015361967 [0,2,0,0,0,0|2,0,0]=4 3029 B12R1.367 O=C(CF)c1ccc(c(c1)I)Cl 1458a_100000739381_100015361967 [0,2,0,0,0,0|2,0,0]=4 3030 B12R1.367 O=C(CF)c1ccc(c(c1)I)F 1458a_100000688015_100015361967 [0,2,0,0,0,0|2,0,0]=4 3031 B12R1.367 O=C(CF)c1ccc(c(c1)I)I 1458a_100000725830_100015361967 [0,2,0,0,0,0|2,0,0]=4 3032 B12R1.367 O=C(CF)c1ccc(c(c1)I)O 1458a_100000037485_100015361967 [0,2,0,0,0,0|1,0,0]=3 3033 B12R1.367 O=C(CF)c1ccc(c(c1)O)Br 1458a_100000689001_100015361967 [0,2,0,0,0,0|2,0,0]=4 3034 B12R1.367 O=C(CF)c1ccc(c(c1)O)Cl 1458a_100011933997_100015361967 [0,2,0,0,0,0|2,0,0]=4 3035 B12R1.367 O=C(CF)c1ccc(c(c1)O)F 1458a_100000035894_100015361967 [0,2,0,0,0,0|2,0,0]=4 3036 B12R1.367 O=C(CF)c1ccc(c(c1)O)I 1458a_100000239334_100015361967 [0,2,0,0,0,0|2,0,0]=4 3037 B12R1.367 O=C(CF)c1ccc(c(c1)O)O 1458a_100000212155_100015361967 [0,2,0,0,0,0|1,0,0]=3 3038 B12R1.893 C=C(C)c1ccc(c(c1C)C)O 271570a_100000694244_100012353674 [0,2,0,0,0,0|2,0,0]=4 3039 B12R1.893 C=C(C)c1ccc(c(c1C)N)O 271570a_100000694244_100013039247 [0,2,0,0,0,0|2,0,0]=4 3040 B12R1.893 C=C(C)c1ccc(c(c1F)C)O 271570a_100000694244_100010390934 [0,2,0,0,0,0|2,0,0]=4 3041 B12R1.893 C=C(C)c1ccc(c(c1F)F)O 271570a_100000694244_100011830415 [0,2,0,0,0,0|2,0,0]=4 3042 B12R1.893 CC(=O)c1ccc(c(c1Br)F)F 1458a_100012356454_200000210301 [0,2,0,0,0,0|2,0,0]=4 3043 B12R1.893 CC(=O)c1ccc(c(c1Br)O)Br 1458a_100016068111_200000210301 [0,2,0,0,0,0|2,0,0]=4 3044 B12R1.893 CC(=O)c1ccc(c(c1C)F)F 1458a_100000061971_200000210301 [0,2,0,0,0,0|2,0,0]=4 3045 B12R1.893 CC(=O)c1ccc(c(c1Cl)Br)Cl 1458a_100010208263_200000210301 [0,2,0,0,0,0|2,0,0]=4 3046 B12R1.893 CC(=O)c1ccc(c(c1Cl)C)Cl 1458a_100010074829_200000210301 [0,2,0,0,0,0|2,0,0]=4 3047 B12R1.893 CC(=O)c1ccc(c(c1Cl)C)F 1458a_100000061447_200000210301 [0,2,0,0,0,0|2,0,0]=4 3048 B12R1.893 CC(=O)c1ccc(c(c1Cl)Cl)Br 1458a_200012347731_200000210301 [0,2,0,0,0,0|2,0,0]=4 3049 B12R1.893 CC(=O)c1ccc(c(c1Cl)Cl)F 1458a_100010209669_200000210301 [0,2,0,0,0,0|2,0,0]=4 3050 B12R1.893 CC(=O)c1ccc(c(c1Cl)F)Cl 1458a_200010192171_200000210301 [0,2,0,0,0,0|2,0,0]=4 3051 B12R1.893 CC(=O)c1ccc(c(c1Cl)F)F 1458a_100009888510_200000210301 [0,2,0,0,0,0|2,0,0]=4 3052 B12R1.893 CC(=O)c1ccc(c(c1Cl)O)O 1458a_100009910189_200000210301 [0,2,0,0,0,0|1,0,0]=3 3053 B12R1.893 CC(=O)c1ccc(c(c1F)Br)Br 1458a_200016032200_200000210301 [0,2,0,0,0,0|2,0,0]=4 3054 B12R1.893 CC(=O)c1ccc(c(c1F)Br)F 1458a_100010204296_200000210301 [0,2,0,0,0,0|2,0,0]=4 3055 B12R1.893 CC(=O)c1ccc(c(c1F)C)Br 1458a_100000722919_200000210301 [0,2,0,0,0,0|2,0,0]=4 3056 B12R1.893 CC(=O)c1ccc(c(c1F)C)C 1458a_100010768504_200000210301 [0,2,0,0,0,0|2,0,0]=4 3057 B12R1.893 CC(=O)c1ccc(c(c1F)C)Cl 1458a_100012183103_200000210301 [0,2,0,0,0,0|2,0,0]=4 3058 B12R1.893 CC(=O)c1ccc(c(c1F)C)F 1458a_100000067293_200000210301 [0,2,0,0,0,0|2,0,0]=4 3059 B12R1.893 CC(=O)c1ccc(c(c1F)Cl)Br 1458a_100000719840_200000210301 [0,2,0,0,0,0|2,0,0]=4 3060 B12R1.893 CC(=O)c1ccc(c(c1F)Cl)C 1458a_100000722910_200000210301 [0,2,0,0,0,0|2,0,0]=4 3061 B12R1.893 CC(=O)c1ccc(c(c1F)Cl)F 1458a_100000034381_200000210301 [0,2,0,0,0,0|2,0,0]=4 3062 B12R1.893 CC(=O)c1ccc(c(c1F)F)Br 1458a_100009816880_200000210301 [0,2,0,0,0,0|2,0,0]=4 3063 B12R1.893 CC(=O)c1ccc(c(c1F)F)C 1458a_100011219789_200000210301 [0,2,0,0,0,0|2,0,0]=4 3064 B12R1.893 CC(=O)c1ccc(c(c1F)F)Cl 1458a_100000085317_200000210301 [0,2,0,0,0,0|2,0,0]=4 3065 B12R1.893 CC(=O)c1ccc(c(c1F)F)F 1458a_100000766628_200000210301 [0,2,0,0,0,0|2,0,0]=4 3066 B12R1.893 CC(=O)c1ccc(c(c1F)F)I 1458a_100010177778_200000210301 [0,2,0,0,0,0|2,0,0]=4 3067 B12R1.893 CC(=O)c1ccc(c(c1F)F)O 1458a_100000036740_200000210301 [0,2,0,0,0,0|1,0,0]=3 3068 B12R1.893 CC(=O)c1ccc(c(c1F)F)O 271570a_203496583355_100010174444 [0,2,0,0,0,0|1,0,0]=3 3069 B12R1.893 CC(=O)c1ccc(c(c1F)O)F 1458a_100000084588_200000210301 [0,2,0,0,0,0|2,0,0]=4 3070 B12R1.893 CC(=O)c1ccc(c(c1F)O)F 271570a_203496583355_100010179980 [0,2,0,0,0,0|2,0,0]=4 3071 B12R1.893 CC(=O)c1ccc(c(c1I)C)C 1458a_100010188221_200000210301 [0,2,0,0,0,0|2,0,0]=4 3072 B12R1.893 CC(=O)c1ccc(c(c1O)C)C 1458a_100000742916_200000210301 [0,2,0,0,0,0|2,0,0]=4 3073 B12R1.893 CC(=O)c1ccc(c(c1O)F)Br 1458a_100010761495_200000210301 [0,2,0,0,0,0|2,0,0]=4 3074 B12R1.893 CC(=O)c1ccc(c(c1O)F)F 1458a_100011799213_200000210301 [0,2,0,0,0,0|2,0,0]=4 3075 B12R1.893 CC(=O)c1ccc(c(c1O)F)F 271570a_203496583355_200013857550 [0,2,0,0,0,0|2,0,0]=4 3076 B12R1.893 CC(=O)c1ccc(c(c1O)O)O 1458a_100000037941_200000210301 [0,2,0,0,0,0|1,0,0]=3 3077 B12R1.893 Cc1c(ccc(c1Cl)C(=O)[13CH3])Cl 1458a_100010074829_200025704644 [0,2,0,0,0,0|2,0,0]=4 3078 B12R1.893 Cc1c(ccc(c1Cl)C(=O)[13CH3])F 1458a_100000061447_200025704644 [0,2,0,0,0,0|2,0,0]=4 3079 B12R1.893 Cc1c(ccc(c1F)C(=O)[13CH3])Br 1458a_100000722919_200025704644 [0,2,0,0,0,0|2,0,0]=4 3080 B12R1.893 Cc1c(ccc(c1F)C(=O)[13CH3])Cl 1458a_100012183103_200025704644 [0,2,0,0,0,0|2,0,0]=4 3081 B12R1.893 Cc1c(ccc(c1F)C(=O)[13CH3])F 1458a_100000067293_200025704644 [0,2,0,0,0,0|2,0,0]=4 3082 B12R1.893 Cc1c(ccc(c1F)F)C(=O)[13CH3] 1458a_100000061971_200025704644 [0,2,0,0,0,0|2,0,0]=4 3083 B12R1.893 Cc1ccc(c(c1C)F)C(=O)[13CH3] 1458a_100010768504_200025704644 [0,2,0,0,0,0|2,0,0]=4 3084 B12R1.893 Cc1ccc(c(c1C)I)C(=O)[13CH3] 1458a_100010188221_200025704644 [0,2,0,0,0,0|2,0,0]=4 3085 B12R1.893 Cc1ccc(c(c1C)O)C(=O)[13CH3] 1458a_100000742916_200025704644 [0,2,0,0,0,0|2,0,0]=4 3086 B12R1.893 Cc1ccc(c(c1Cl)F)C(=O)[13CH3] 1458a_100000722910_200025704644 [0,2,0,0,0,0|2,0,0]=4 3087 B12R1.893 Cc1ccc(c(c1F)F)C(=O)[13CH3] 1458a_100011219789_200025704644 [0,2,0,0,0,0|2,0,0]=4 3088 B12R1.893 OB(O)c1ccc(c(c1F)F)O 271570a_203496583355_100009813606 [0,2,0,0,0,0|1,0,1]=4 3089 B12R1.893 [13CH3]C(=O)c1ccc(c(c1Br)F)F 1458a_100012356454_200025704644 [0,2,0,0,0,0|2,0,0]=4 3090 B12R1.893 [13CH3]C(=O)c1ccc(c(c1Br)O)Br 1458a_100016068111_200025704644 [0,2,0,0,0,0|2,0,0]=4 3091 B12R1.893 [13CH3]C(=O)c1ccc(c(c1Cl)Br)Cl 1458a_100010208263_200025704644 [0,2,0,0,0,0|2,0,0]=4 3092 B12R1.893 [13CH3]C(=O)c1ccc(c(c1Cl)Cl)Br 1458a_200012347731_200025704644 [0,2,0,0,0,0|2,0,0]=4 3093 B12R1.893 [13CH3]C(=O)c1ccc(c(c1Cl)Cl)F 1458a_100010209669_200025704644 [0,2,0,0,0,0|2,0,0]=4 3094 B12R1.893 [13CH3]C(=O)c1ccc(c(c1Cl)F)Cl 1458a_200010192171_200025704644 [0,2,0,0,0,0|2,0,0]=4 3095 B12R1.893 [13CH3]C(=O)c1ccc(c(c1Cl)F)F 1458a_100009888510_200025704644 [0,2,0,0,0,0|2,0,0]=4 3096 B12R1.893 [13CH3]C(=O)c1ccc(c(c1Cl)O)O 1458a_100009910189_200025704644 [0,2,0,0,0,0|1,0,0]=3 3097 B12R1.893 [13CH3]C(=O)c1ccc(c(c1F)Br)Br 1458a_200016032200_200025704644 [0,2,0,0,0,0|2,0,0]=4 3098 B12R1.893 [13CH3]C(=O)c1ccc(c(c1F)Br)F 1458a_100010204296_200025704644 [0,2,0,0,0,0|2,0,0]=4 3099 B12R1.893 [13CH3]C(=O)c1ccc(c(c1F)Cl)Br 1458a_100000719840_200025704644 [0,2,0,0,0,0|2,0,0]=4 3100 B12R1.893 [13CH3]C(=O)c1ccc(c(c1F)Cl)F 1458a_100000034381_200025704644 [0,2,0,0,0,0|2,0,0]=4 3101 B12R1.893 [13CH3]C(=O)c1ccc(c(c1F)F)Br 1458a_100009816880_200025704644 [0,2,0,0,0,0|2,0,0]=4 3102 B12R1.893 [13CH3]C(=O)c1ccc(c(c1F)F)Cl 1458a_100000085317_200025704644 [0,2,0,0,0,0|2,0,0]=4 3103 B12R1.893 [13CH3]C(=O)c1ccc(c(c1F)F)F 1458a_100000766628_200025704644 [0,2,0,0,0,0|2,0,0]=4 3104 B12R1.893 [13CH3]C(=O)c1ccc(c(c1F)F)I 1458a_100010177778_200025704644 [0,2,0,0,0,0|2,0,0]=4 3105 B12R1.893 [13CH3]C(=O)c1ccc(c(c1F)F)O 1458a_100000036740_200025704644 [0,2,0,0,0,0|1,0,0]=3 3106 B12R1.893 [13CH3]C(=O)c1ccc(c(c1F)O)F 1458a_100000084588_200025704644 [0,2,0,0,0,0|2,0,0]=4 3107 B12R1.893 [13CH3]C(=O)c1ccc(c(c1O)F)Br 1458a_100010761495_200025704644 [0,2,0,0,0,0|2,0,0]=4 3108 B12R1.893 [13CH3]C(=O)c1ccc(c(c1O)F)F 1458a_100011799213_200025704644 [0,2,0,0,0,0|2,0,0]=4 3109 B12R1.893 [13CH3]C(=O)c1ccc(c(c1O)O)O 1458a_100000037941_200025704644 [0,2,0,0,0,0|1,0,0]=3 3110 B12R1.1005 C=C(C)c1cc(c(c(c1)Br)O)C 271570a_100000694244_100010982682 [0,2,0,0,0,0|2,0,0]=4 3111 B12R1.1005 C=C(C)c1cc(c(c(c1)C)O)C 271570a_100000694244_100000187306 [0,2,0,0,0,0|2,0,0]=4 3112 B12R1.1005 C=C(C)c1cc(c(c(c1)Cl)O)C 271570a_100000694244_200015900153 [0,2,0,0,0,0|2,0,0]=4 3113 B12R1.1005 C=C(C)c1cc(c(c(c1)Cl)O)Cl 271570a_100000694244_100012339652 [0,2,0,0,0,0|2,0,0]=4 3114 B12R1.1005 C=C(C)c1cc(c(c(c1)F)O)F 271570a_100000694244_100011216917 [0,2,0,0,0,0|2,0,0]=4 3115 B12R1.1005 C=C(C)c1cc(c(c(c1)F)O)N 271570a_100000694244_100011217383 [0,2,0,0,0,0|2,0,0]=4 3116 B12R1.1005 C=C(C)c1cc(c(c(c1)N)O)C 271570a_100000694244_100011825904 [0,2,0,0,0,0|2,0,0]=4 3117 B12R1.1005 CC(=O)c1cc(c(c(c1)Br)C)Br 1458a_100000187602_200000210301 [0,2,0,0,0,0|2,0,0]=4 3118 B12R1.1005 CC(=O)c1cc(c(c(c1)Br)C)F 1458a_200012347618_200000210301 [0,2,0,0,0,0|2,0,0]=4 3119 B12R1.1005 CC(=O)c1cc(c(c(c1)Br)Cl)Cl 1458a_200012920480_200000210301 [0,2,0,0,0,0|2,0,0]=4 3120 B12R1.1005 CC(=O)c1cc(c(c(c1)Br)Cl)F 1458a_100010291025_200000210301 [0,2,0,0,0,0|2,0,0]=4 3121 B12R1.1005 CC(=O)c1cc(c(c(c1)Br)F)F 1458a_100010259547_200000210301 [0,2,0,0,0,0|2,0,0]=4 3122 B12R1.1005 CC(=O)c1cc(c(c(c1)Br)O)Br 1458a_100000692688_200000210301 [0,2,0,0,0,0|1,0,0]=3 3123 B12R1.1005 CC(=O)c1cc(c(c(c1)Br)O)O 1458a_200009992764_200000210301 [0,2,0,0,0,0|1,0,0]=3 3124 B12R1.1005 CC(=O)c1cc(c(c(c1)C)Br)C 1458a_100000700660_200000210301 [0,2,0,0,0,0|2,0,0]=4 3125 B12R1.1005 CC(=O)c1cc(c(c(c1)C)C)C 1458a_100000075298_200000210301 [0,2,0,0,0,0|2,0,0]=4 3126 B12R1.1005 CC(=O)c1cc(c(c(c1)C)Cl)C 1458a_100000102532_200000210301 [0,2,0,0,0,0|2,0,0]=4 3127 B12R1.1005 CC(=O)c1cc(c(c(c1)C)F)C 1458a_100000741972_200000210301 [0,2,0,0,0,0|2,0,0]=4 3128 B12R1.1005 CC(=O)c1cc(c(c(c1)C)I)C 1458a_100010769667_200000210301 [0,2,0,0,0,0|2,0,0]=4 3129 B12R1.1005 CC(=O)c1cc(c(c(c1)C)O)C 1458a_100011219978_200000210301 [0,2,0,0,0,0|1,0,0]=3 3130 B12R1.1005 CC(=O)c1cc(c(c(c1)Cl)Br)Cl 1458a_100012354307_200000210301 [0,2,0,0,0,0|2,0,0]=4 3131 B12R1.1005 CC(=O)c1cc(c(c(c1)Cl)C)Cl 1458a_100012356007_200000210301 [0,2,0,0,0,0|2,0,0]=4 3132 B12R1.1005 CC(=O)c1cc(c(c(c1)Cl)Cl)Cl 1458a_100012339221_200000210301 [0,2,0,0,0,0|2,0,0]=4 3133 B12R1.1005 CC(=O)c1cc(c(c(c1)Cl)Cl)F 1458a_200010244527_200000210301 [0,2,0,0,0,0|2,0,0]=4 3134 B12R1.1005 CC(=O)c1cc(c(c(c1)Cl)F)Cl 1458a_100011934374_200000210301 [0,2,0,0,0,0|2,0,0]=4 3135 B12R1.1005 CC(=O)c1cc(c(c(c1)Cl)F)F 1458a_100000068011_200000210301 [0,2,0,0,0,0|2,0,0]=4 3136 B12R1.1005 CC(=O)c1cc(c(c(c1)Cl)O)Cl 1458a_100000184433_200000210301 [0,2,0,0,0,0|1,0,0]=3 3137 B12R1.1005 CC(=O)c1cc(c(c(c1)Cl)O)O 1458a_200000078382_200000210301 [0,2,0,0,0,0|1,0,0]=3 3138 B12R1.1005 CC(=O)c1cc(c(c(c1)F)Br)F 1458a_100010078405_200000210301 [0,2,0,0,0,0|2,0,0]=4 3139 B12R1.1005 CC(=O)c1cc(c(c(c1)F)C)F 1458a_100000055762_200000210301 [0,2,0,0,0,0|2,0,0]=4 3140 B12R1.1005 CC(=O)c1cc(c(c(c1)F)Cl)F 1458a_100000104779_200000210301 [0,2,0,0,0,0|2,0,0]=4 3141 B12R1.1005 CC(=O)c1cc(c(c(c1)F)F)C 1458a_100000061453_200000210301 [0,2,0,0,0,0|2,0,0]=4 3142 B12R1.1005 CC(=O)c1cc(c(c(c1)F)F)F 1458a_100000751656_200000210301 [0,2,0,0,0,0|2,0,0]=4 3143 B12R1.1005 CC(=O)c1cc(c(c(c1)F)F)O 1458a_200000081825_200000210301 [0,2,0,0,0,0|2,0,0]=4 3144 B12R1.1005 CC(=O)c1cc(c(c(c1)F)O)F 1458a_100000766045_200000210301 [0,2,0,0,0,0|1,0,0]=3 3145 B12R1.1005 CC(=O)c1cc(c(c(c1)F)O)F 271570a_203496583355_100010371124 [0,2,0,0,0,0|1,0,0]=3 3146 B12R1.1005 CC(=O)c1cc(c(c(c1)I)C)F 1458a_100012344050_200000210301 [0,2,0,0,0,0|2,0,0]=4 3147 B12R1.1005 CC(=O)c1cc(c(c(c1)I)I)I 1458a_100000033816_200000210301 [0,2,0,0,0,0|2,0,0]=4 3148 B12R1.1005 CC(=O)c1cc(c(c(c1)I)O)I 1458a_100000034356_200000210301 [0,2,0,0,0,0|1,0,0]=3 3149 B12R1.1005 CC(=O)c1cc(c(c(c1)O)C)O 1458a_100000031928_200000210301 [0,2,0,0,0,0|2,0,0]=4 3150 B12R1.1005 CC(=O)c1cc(c(c(c1)O)Cl)O 1458a_100000074654_200000210301 [0,2,0,0,0,0|2,0,0]=4 3151 B12R1.1005 CC(=O)c1cc(c(c(c1)O)O)O 1458a_100000212154_200000210301 [0,2,0,0,0,0|1,0,0]=3 3152 B12R1.1005 Cc1c(cc(cc1Br)C(=O)[13CH3])Br 1458a_100000187602_200025704644 [0,2,0,0,0,0|2,0,0]=4 3153 B12R1.1005 Cc1c(cc(cc1Br)C(=O)[13CH3])F 1458a_200012347618_200025704644 [0,2,0,0,0,0|2,0,0]=4 3154 B12R1.1005 Cc1c(cc(cc1Cl)C(=O)[13CH3])Cl 1458a_100012356007_200025704644 [0,2,0,0,0,0|2,0,0]=4 3155 B12R1.1005 Cc1c(cc(cc1F)C(=O)[13CH3])F 1458a_100000055762_200025704644 [0,2,0,0,0,0|2,0,0]=4 3156 B12R1.1005 Cc1c(cc(cc1I)C(=O)[13CH3])F 1458a_100012344050_200025704644 [0,2,0,0,0,0|2,0,0]=4 3157 B12R1.1005 Cc1c(cc(cc1O)C(=O)[13CH3])O 1458a_100000031928_200025704644 [0,2,0,0,0,0|2,0,0]=4 3158 B12R1.1005 Cc1cc(cc(c1Br)C)C(=O)[13CH3] 1458a_100000700660_200025704644 [0,2,0,0,0,0|2,0,0]=4 3159 B12R1.1005 Cc1cc(cc(c1C)C)C(=O)[13CH3] 1458a_100000075298_200025704644 [0,2,0,0,0,0|2,0,0]=4 3160 B12R1.1005 Cc1cc(cc(c1Cl)C)C(=O)[13CH3] 1458a_100000102532_200025704644 [0,2,0,0,0,0|2,0,0]=4 3161 B12R1.1005 Cc1cc(cc(c1F)C)C(=O)[13CH3] 1458a_100000741972_200025704644 [0,2,0,0,0,0|2,0,0]=4 3162 B12R1.1005 Cc1cc(cc(c1F)F)C(=O)[13CH3] 1458a_100000061453_200025704644 [0,2,0,0,0,0|2,0,0]=4 3163 B12R1.1005 Cc1cc(cc(c1I)C)C(=O)[13CH3] 1458a_100010769667_200025704644 [0,2,0,0,0,0|2,0,0]=4 3164 B12R1.1005 Cc1cc(cc(c1O)C)B(O)O 271570a_203496583355_100010769218 [0,2,0,0,0,0|1,0,1]=4 3165 B12R1.1005 Cc1cc(cc(c1O)C)C(=O)N 271570a_203496583355_200009816865 [0,2,0,0,0,0|1,0,0]=3 3166 B12R1.1005 Cc1cc(cc(c1O)C)C(=O)[13CH3] 1458a_100011219978_200025704644 [0,2,0,0,0,0|1,0,0]=3 3167 B12R1.1005 NC(=O)c1cc(c(c(c1)O)O)O 271570a_203496583355_200009814324 [0,2,0,0,0,0|1,0,0]=3 3168 B12R1.1005 [13CH3]C(=O)c1cc(c(c(c1)Br)Cl)Cl 1458a_200012920480_200025704644 [0,2,0,0,0,0|2,0,0]=4 3169 B12R1.1005 [13CH3]C(=O)c1cc(c(c(c1)Br)Cl)F 1458a_100010291025_200025704644 [0,2,0,0,0,0|2,0,0]=4 3170 B12R1.1005 [13CH3]C(=O)c1cc(c(c(c1)Br)F)F 1458a_100010259547_200025704644 [0,2,0,0,0,0|2,0,0]=4 3171 B12R1.1005 [13CH3]C(=O)c1cc(c(c(c1)Br)O)Br 1458a_100000692688_200025704644 [0,2,0,0,0,0|1,0,0]=3 3172 B12R1.1005 [13CH3]C(=O)c1cc(c(c(c1)Br)O)O 1458a_200009992764_200025704644 [0,2,0,0,0,0|1,0,0]=3 3173 B12R1.1005 [13CH3]C(=O)c1cc(c(c(c1)Cl)Br)Cl 1458a_100012354307_200025704644 [0,2,0,0,0,0|2,0,0]=4 3174 B12R1.1005 [13CH3]C(=O)c1cc(c(c(c1)Cl)Cl)Cl 1458a_100012339221_200025704644 [0,2,0,0,0,0|2,0,0]=4 3175 B12R1.1005 [13CH3]C(=O)c1cc(c(c(c1)Cl)Cl)F 1458a_200010244527_200025704644 [0,2,0,0,0,0|2,0,0]=4 3176 B12R1.1005 [13CH3]C(=O)c1cc(c(c(c1)Cl)F)Cl 1458a_100011934374_200025704644 [0,2,0,0,0,0|2,0,0]=4 3177 B12R1.1005 [13CH3]C(=O)c1cc(c(c(c1)Cl)F)F 1458a_100000068011_200025704644 [0,2,0,0,0,0|2,0,0]=4 3178 B12R1.1005 [13CH3]C(=O)c1cc(c(c(c1)Cl)O)Cl 1458a_100000184433_200025704644 [0,2,0,0,0,0|1,0,0]=3 3179 B12R1.1005 [13CH3]C(=O)c1cc(c(c(c1)Cl)O)O 1458a_200000078382_200025704644 [0,2,0,0,0,0|1,0,0]=3 3180 B12R1.1005 [13CH3]C(=O)c1cc(c(c(c1)F)Br)F 1458a_100010078405_200025704644 [0,2,0,0,0,0|2,0,0]=4 3181 B12R1.1005 [13CH3]C(=O)c1cc(c(c(c1)F)Cl)F 1458a_100000104779_200025704644 [0,2,0,0,0,0|2,0,0]=4 3182 B12R1.1005 [13CH3]C(=O)c1cc(c(c(c1)F)F)F 1458a_100000751656_200025704644 [0,2,0,0,0,0|2,0,0]=4 3183 B12R1.1005 [13CH3]C(=O)c1cc(c(c(c1)F)F)O 1458a_200000081825_200025704644 [0,2,0,0,0,0|2,0,0]=4 3184 B12R1.1005 [13CH3]C(=O)c1cc(c(c(c1)F)O)F 1458a_100000766045_200025704644 [0,2,0,0,0,0|1,0,0]=3 3185 B12R1.1005 [13CH3]C(=O)c1cc(c(c(c1)I)I)I 1458a_100000033816_200025704644 [0,2,0,0,0,0|2,0,0]=4 3186 B12R1.1005 [13CH3]C(=O)c1cc(c(c(c1)I)O)I 1458a_100000034356_200025704644 [0,2,0,0,0,0|1,0,0]=3 3187 B12R1.1005 [13CH3]C(=O)c1cc(c(c(c1)O)Cl)O 1458a_100000074654_200025704644 [0,2,0,0,0,0|2,0,0]=4 3188 B12R1.1005 [13CH3]C(=O)c1cc(c(c(c1)O)O)O 1458a_100000212154_200025704644 [0,2,0,0,0,0|1,0,0]=3 3189 B12R1.12 COC(OC)c1ccc(cc1)O 271570a_203496583355_100009813454 [0,2,0,0,0,0|0,0,2]=4 3190 B12R1.16 C#CCC(=O)c1ccc(cc1)Br 1458a_100000185839_100000184674 [0,2,0,0,0,0|2,0,0]=4 3191 B12R1.16 C#CCC(=O)c1ccc(cc1)C 1458a_100000188618_100000184674 [0,2,0,0,0,0|2,0,0]=4 3192 B12R1.16 C#CCC(=O)c1ccc(cc1)Cl 1458a_100000210187_100000184674 [0,2,0,0,0,0|2,0,0]=4 3193 B12R1.16 C#CCC(=O)c1ccc(cc1)F 1458a_100000187176_100000184674 [0,2,0,0,0,0|2,0,0]=4 3194 B12R1.16 C#CCC(=O)c1ccc(cc1)I 1458a_100000187904_100000184674 [0,2,0,0,0,0|2,0,0]=4 3195 B12R1.16 C#CCC(=O)c1ccc(cc1)O 1458a_100000212099_100000184674 [0,2,0,0,0,0|1,0,0]=3 3196 B12R1.16 C=CCC(=O)c1ccc(cc1)Br 1458a_100000185839_100000210623 [0,2,0,0,0,0|2,0,0]=4 3197 B12R1.16 C=CCC(=O)c1ccc(cc1)C 1458a_100000188618_100000210623 [0,2,0,0,0,0|2,0,0]=4 3198 B12R1.16 C=CCC(=O)c1ccc(cc1)Cl 1458a_100000210187_100000210623 [0,2,0,0,0,0|2,0,0]=4 3199 B12R1.16 C=CCC(=O)c1ccc(cc1)F 1458a_100000187176_100000210623 [0,2,0,0,0,0|2,0,0]=4 3200 B12R1.16 C=CCC(=O)c1ccc(cc1)I 1458a_100000187904_100000210623 [0,2,0,0,0,0|2,0,0]=4 3201 B12R1.16 C=CCC(=O)c1ccc(cc1)O 1458a_100000212099_100000210623 [0,2,0,0,0,0|1,0,0]=3 3202 B12R1.16 C=CCC(O)c1ccc(cc1)O 271570a_203496583355_100011466436 [0,2,0,0,0,0|1,0,1]=4 3203 B12R1.16 CC#CC(=O)c1ccc(cc1)O 271570a_203496583355_100153741113 [0,2,0,0,0,0|1,0,0]=3 3204 B12R1.16 CCCC(=O)c1ccc(cc1)Br 1458a_100000185839_100000210303 [0,2,0,0,0,0|2,0,0]=4 3205 B12R1.16 CCCC(=O)c1ccc(cc1)C 1458a_100000188618_100000210303 [0,2,0,0,0,0|2,0,0]=4 3206 B12R1.16 CCCC(=O)c1ccc(cc1)Cl 1458a_100000210187_100000210303 [0,2,0,0,0,0|2,0,0]=4 3207 B12R1.16 CCCC(=O)c1ccc(cc1)F 1458a_100000187176_100000210303 [0,2,0,0,0,0|2,0,0]=4 3208 B12R1.16 CCCC(=O)c1ccc(cc1)I 1458a_100000187904_100000210303 [0,2,0,0,0,0|2,0,0]=4 3209 B12R1.16 CCCC(=O)c1ccc(cc1)O 1458a_100000212099_100000210303 [0,2,0,0,0,0|1,0,0]=3 3210 B12R1.16 CCCC(=O)c1ccc(cc1)O 271570a_203496583355_100011267722 [0,2,0,0,0,0|1,0,0]=3 3211 B12R1.16 CCCC(=O)c1ccc(nc1)O 271570a_203496583355_200012185933 [0,2,0,0,0,0|2,0,0]=4 3212 B12R1.16 CCCC(O)c1ccc(cc1)O 271570a_203496583355_100011350873 [0,2,0,0,0,0|1,0,1]=4 3213 B12R1.16 CCNC(=O)c1ccc(cc1)Br 11a_100015525214_100000185839 [0,2,0,0,0,0|2,0,0]=4 3214 B12R1.16 CCNC(=O)c1ccc(cc1)Br 240690a_100015525214_100000185839 [0,2,0,0,0,0|2,0,0]=4 3215 B12R1.16 CCNC(=O)c1ccc(cc1)Br 527a_100015525214_100000185839 [0,2,0,0,0,0|2,0,0]=4 3216 B12R1.16 CCNC(=O)c1ccc(cc1)C 11a_100015525214_100000188618 [0,2,0,0,0,0|2,0,0]=4 3217 B12R1.16 CCNC(=O)c1ccc(cc1)C 240690a_100015525214_100000188618 [0,2,0,0,0,0|2,0,0]=4 3218 B12R1.16 CCNC(=O)c1ccc(cc1)C 527a_100015525214_100000188618 [0,2,0,0,0,0|2,0,0]=4 3219 B12R1.16 CCNC(=O)c1ccc(cc1)Cl 11a_100015525214_100000210187 [0,2,0,0,0,0|2,0,0]=4 3220 B12R1.16 CCNC(=O)c1ccc(cc1)Cl 240690a_100015525214_100000210187 [0,2,0,0,0,0|2,0,0]=4 3221 B12R1.16 CCNC(=O)c1ccc(cc1)Cl 527a_100015525214_100000210187 [0,2,0,0,0,0|2,0,0]=4 3222 B12R1.16 CCNC(=O)c1ccc(cc1)F 11a_100015525214_100000187176 [0,2,0,0,0,0|2,0,0]=4 3223 B12R1.16 CCNC(=O)c1ccc(cc1)F 240690a_100015525214_100000187176 [0,2,0,0,0,0|2,0,0]=4 3224 B12R1.16 CCNC(=O)c1ccc(cc1)F 527a_100015525214_100000187176 [0,2,0,0,0,0|2,0,0]=4 3225 B12R1.16 CCNC(=O)c1ccc(cc1)I 11a_100015525214_100000187904 [0,2,0,0,0,0|2,0,0]=4 3226 B12R1.16 CCNC(=O)c1ccc(cc1)I 240690a_100015525214_100000187904 [0,2,0,0,0,0|2,0,0]=4 3227 B12R1.16 CCNC(=O)c1ccc(cc1)I 527a_100015525214_100000187904 [0,2,0,0,0,0|2,0,0]=4 3228 B12R1.16 CCNC(=O)c1ccc(cc1)O 240690a_100015525214_100000212099 [0,2,0,0,0,0|1,0,0]=3 3229 B12R1.16 CCNC(=O)c1ccc(cc1)O 271570a_203496583355_100000155177 [0,2,0,0,0,0|1,0,0]=3 3230 B12R1.16 CCNC(=O)c1ccc(cc1)O 527a_100015525214_100000212099 [0,2,0,0,0,0|1,0,0]=3 3231 B12R1.16 CCNC(=O)c1ccc(cn1)O 271570a_203496583355_200011781264 [0,2,0,0,0,0|2,0,0]=4 3232 B12R1.16 CCNC(=O)c1ccc(nc1)O 271570a_203496583355_100000160145 [0,2,0,0,0,0|2,0,0]=4 3233 B12R1.16 CCOC(=O)c1ccc(cc1)O 271570a_203496583355_100000170077 [0,2,0,0,0,0|0,0,0]=2 3234 B12R1.16 CCOC(=O)c1ccc(cn1)O 271570a_203496583355_100011781174 [0,2,0,0,0,0|1,0,0]=3 3235 B12R1.16 CCOC(=O)c1ccc(nc1)O 271570a_203496583355_100000170224 [0,2,0,0,0,0|1,0,0]=3 3236 B12R1.16 CCOC(=O)c1ccc(nn1)O 271570a_203496583355_100011933454 [0,2,0,0,0,0|2,0,0]=4 3237 B12R1.16 CCOC(=O)c1cnc(cn1)O 271570a_203496583355_100000707868 [0,2,0,0,0,0|2,0,0]=4 3238 B12R1.16 CCOC(=O)c1cnc(nc1)O 271570a_203496583355_100011935661 [0,2,0,0,0,0|2,0,0]=4 3239 B12R1.16 CCOC(=O)c1ncc(cn1)O 271570a_203496583355_100010168878 [0,2,0,0,0,0|2,0,0]=4 3240 B12R1.16 CN(CC=O)c1ccc(cc1)O 269982a_100000182112_200015260668 [0,2,0,0,0,0|2,0,0]=4 3241 B12R1.16 CN(CC=O)c1ccc(cc1)O 34a_100000182112_200009817547 [0,2,0,0,0,0|2,0,0]=4 3242 B12R1.16 CN(CCO)c1ccc(cc1)O 269982a_100000182112_100000211926 [0,2,0,0,0,0|2,0,0]=4 3243 B12R1.16 CN(CCO)c1ccc(cc1)O 34a_100000182112_100000211926 [0,2,0,0,0,0|2,0,0]=4 3244 B12R1.16 CNCC(=O)c1ccc(cc1)Br 34a_100102657272_100000188085 [0,2,0,0,0,0|2,0,0]=4 3245 B12R1.16 CNCC(=O)c1ccc(cc1)Br 7a_106832991635_100000188085 [0,2,0,0,0,0|2,0,0]=4 3246 B12R1.16 CNCC(=O)c1ccc(cc1)C 2230a_106832991635_100000211441 [0,2,0,0,0,0|2,0,0]=4 3247 B12R1.16 CNCC(=O)c1ccc(cc1)C 34a_100102657272_100000211441 [0,2,0,0,0,0|2,0,0]=4 3248 B12R1.16 CNCC(=O)c1ccc(cc1)C 7a_106832991635_100000211441 [0,2,0,0,0,0|2,0,0]=4 3249 B12R1.16 CNCC(=O)c1ccc(cc1)Cl 7a_106832991635_100000211071 [0,2,0,0,0,0|2,0,0]=4 3250 B12R1.16 CNCC(=O)c1ccc(cc1)F 7a_106832991635_100000211279 [0,2,0,0,0,0|2,0,0]=4 3251 B12R1.16 CNCC(=O)c1ccc(cc1)I 34a_100102657272_100011216261 [0,2,0,0,0,0|2,0,0]=4 3252 B12R1.16 CNCC(=O)c1ccc(cc1)I 7a_106832991635_100011216261 [0,2,0,0,0,0|2,0,0]=4 3253 B12R1.16 CNCC(=O)c1ccc(cc1)O 34a_100102657272_100009814261 [0,2,0,0,0,0|1,0,0]=3 3254 B12R1.16 CNCC(=O)c1ccc(cc1)O 7a_106832991635_100000018856 [0,2,0,0,0,0|1,0,0]=3 3255 B12R1.16 CNCC(O)c1ccc(cc1)O 34a_100000067596_200000210301 [0,2,0,0,0,0|1,0,1]=4 3256 B12R1.16 CNNC(=O)c1ccc(cc1)Br 22a_100016993582_100000185839 [0,2,0,0,0,0|2,0,0]=4 3257 B12R1.16 CNNC(=O)c1ccc(cc1)C 22a_100016993582_100000188618 [0,2,0,0,0,0|2,0,0]=4 3258 B12R1.16 CNNC(=O)c1ccc(cc1)Cl 22a_100016993582_100000210187 [0,2,0,0,0,0|2,0,0]=4 3259 B12R1.16 CNNC(=O)c1ccc(cc1)F 22a_100016993582_100000187176 [0,2,0,0,0,0|2,0,0]=4 3260 B12R1.16 CNNC(=O)c1ccc(cc1)I 22a_100016993582_100000187904 [0,2,0,0,0,0|2,0,0]=4 3261 B12R1.16 CNNC(=O)c1ccc(cc1)O 22a_100016993582_100000212099 [0,2,0,0,0,0|1,0,0]=3 3262 B12R1.16 COCC(=O)c1ccc(cc1)Br 34a_100138415774_100000188085 [0,2,0,0,0,0|1,0,0]=3 3263 B12R1.16 COCC(=O)c1ccc(cc1)C 34a_100138415774_100000211441 [0,2,0,0,0,0|1,0,0]=3 3264 B12R1.16 COCC(=O)c1ccc(cc1)F 34a_100000246311_200000210301 [0,2,0,0,0,0|1,0,0]=3 3265 B12R1.16 COCC(=O)c1ccc(cc1)I 34a_100138415774_100011216261 [0,2,0,0,0,0|1,0,0]=3 3266 B12R1.16 COCC(=O)c1ccc(cc1)O 271570a_203496583355_200011343064 [0,2,0,0,0,0|0,0,0]=2 3267 B12R1.16 COCC(=O)c1ccc(cc1)O 34a_100138415774_100009814261 [0,2,0,0,0,0|0,0,0]=2 3268 B12R1.16 COCN(C)c1ccc(cc1)O 269982a_100000182112_100000766300 [0,2,0,0,0,0|2,0,0]=4 3269 B12R1.16 CSCC(=O)c1ccc(cc1)Br 62a_100000188085_200000210301 [0,2,0,0,0,0|1,1,0]=4 3270 B12R1.16 CSCC(=O)c1ccc(cc1)C 62a_100000211441_200000210301 [0,2,0,0,0,0|1,1,0]=4 3271 B12R1.16 CSCC(=O)c1ccc(cc1)C 62a_200000210301_100000211441 [0,2,0,0,0,0|1,1,0]=4 3272 B12R1.16 CSCC(=O)c1ccc(cc1)Cl 62a_100000211071_200000210301 [0,2,0,0,0,0|1,1,0]=4 3273 B12R1.16 CSCC(=O)c1ccc(cc1)Cl 62a_200000210301_100000211071 [0,2,0,0,0,0|1,1,0]=4 3274 B12R1.16 CSCC(=O)c1ccc(cc1)F 62a_100000211279_200000210301 [0,2,0,0,0,0|1,1,0]=4 3275 B12R1.16 CSCC(=O)c1ccc(cc1)F 62a_200000210301_100000211279 [0,2,0,0,0,0|1,1,0]=4 3276 B12R1.16 CSCC(=O)c1ccc(cc1)I 62a_100011216261_200000210301 [0,2,0,0,0,0|1,1,0]=4 3277 B12R1.16 CSCC(=O)c1ccc(cc1)I 62a_200000210301_100011216261 [0,2,0,0,0,0|1,1,0]=4 3278 B12R1.16 CSCC(=O)c1ccc(cc1)O 62a_100009814261_200000210301 [0,2,0,0,0,0|0,1,0]=3 3279 B12R1.16 CSCC(=O)c1ccc(cc1)O 62a_200000210301_100009814261 [0,2,0,0,0,0|0,1,0]=3 3280 B12R1.16 Cc1ccc(cc1)C(=O)CC#N 1458a_100000188618_100011214920 [0,2,0,0,0,0|2,0,0]=4 3281 B12R1.16 Cc1ccc(cc1)C(=O)CCF 1458a_100000188618_100011217306 [0,2,0,0,0,0|2,0,0]=4 3282 B12R1.16 Cc1ccc(cc1)C(=O)CCO 1458a_100000188618_100000211926 [0,2,0,0,0,0|1,0,0]=3 3283 B12R1.16 Cc1ccc(cc1)C(=O)CS[13CH3] 62a_100000211441_200025704644 [0,2,0,0,0,0|1,1,0]=4 3284 B12R1.16 Cc1ccc(cc1)C(=O)CS[13CH3] 62a_200025704644_100000211441 [0,2,0,0,0,0|1,1,0]=4 3285 B12R1.16 N#CCC(=O)c1ccc(cc1)Br 1458a_100000185839_100011214920 [0,2,0,0,0,0|2,0,0]=4 3286 B12R1.16 N#CCC(=O)c1ccc(cc1)Cl 1458a_100000210187_100011214920 [0,2,0,0,0,0|2,0,0]=4 3287 B12R1.16 N#CCC(=O)c1ccc(cc1)F 1458a_100000187176_100011214920 [0,2,0,0,0,0|2,0,0]=4 3288 B12R1.16 N#CCC(=O)c1ccc(cc1)I 1458a_100000187904_100011214920 [0,2,0,0,0,0|2,0,0]=4 3289 B12R1.16 N#CCC(=O)c1ccc(cc1)O 1458a_100000212099_100011214920 [0,2,0,0,0,0|1,0,0]=3 3290 B12R1.16 N#CCC(=O)c1ccc(cc1)O 271570a_203496583355_100000740217 [0,2,0,0,0,0|1,0,0]=3 3291 B12R1.16 N[C@@H](CCO)c1ccc(cc1)O 271570a_203496583355_102125605589 [0,2,0,0,0,0|1,0,1]=4 3292 B12R1.16 O=C(CCF)c1ccc(cc1)Br 1458a_100000185839_100011217306 [0,2,0,0,0,0|2,0,0]=4 3293 B12R1.16 O=C(CCF)c1ccc(cc1)Cl 1458a_100000210187_100011217306 [0,2,0,0,0,0|2,0,0]=4 3294 B12R1.16 O=C(CCF)c1ccc(cc1)F 1458a_100000187176_100011217306 [0,2,0,0,0,0|2,0,0]=4 3295 B12R1.16 O=C(CCF)c1ccc(cc1)I 1458a_100000187904_100011217306 [0,2,0,0,0,0|2,0,0]=4 3296 B12R1.16 O=C(CCF)c1ccc(cc1)O 1458a_100000212099_100011217306 [0,2,0,0,0,0|1,0,0]=3 3297 B12R1.16 O=C(CCO)c1ccc(cc1)Br 1458a_100000185839_100000211926 [0,2,0,0,0,0|1,0,0]=3 3298 B12R1.16 O=C(CCO)c1ccc(cc1)Cl 1458a_100000210187_100000211926 [0,2,0,0,0,0|1,0,0]=3 3299 B12R1.16 O=C(CCO)c1ccc(cc1)F 1458a_100000187176_100000211926 [0,2,0,0,0,0|1,0,0]=3 3300 B12R1.16 O=C(CCO)c1ccc(cc1)I 1458a_100000187904_100000211926 [0,2,0,0,0,0|1,0,0]=3 3301 B12R1.16 O=C(CCO)c1ccc(cc1)O 1458a_100000212099_100000211926 [0,2,0,0,0,0|0,0,0]=2 3302 B12R1.16 [13CH3]NCC(O)c1ccc(cc1)O 34a_100000067596_200025704644 [0,2,0,0,0,0|1,0,1]=4 3303 B12R1.16 [13CH3]OCC(=O)c1ccc(cc1)F 34a_100000246311_200025704644 [0,2,0,0,0,0|1,0,0]=3 3304 B12R1.16 [13CH3]SCC(=O)c1ccc(cc1)Br 62a_100000188085_200025704644 [0,2,0,0,0,0|1,1,0]=4 3305 B12R1.16 [13CH3]SCC(=O)c1ccc(cc1)Cl 62a_100000211071_200025704644 [0,2,0,0,0,0|1,1,0]=4 3306 B12R1.16 [13CH3]SCC(=O)c1ccc(cc1)Cl 62a_200025704644_100000211071 [0,2,0,0,0,0|1,1,0]=4 3307 B12R1.16 [13CH3]SCC(=O)c1ccc(cc1)F 62a_100000211279_200025704644 [0,2,0,0,0,0|1,1,0]=4 3308 B12R1.16 [13CH3]SCC(=O)c1ccc(cc1)F 62a_200025704644_100000211279 [0,2,0,0,0,0|1,1,0]=4 3309 B12R1.16 [13CH3]SCC(=O)c1ccc(cc1)I 62a_100011216261_200025704644 [0,2,0,0,0,0|1,1,0]=4 3310 B12R1.16 [13CH3]SCC(=O)c1ccc(cc1)I 62a_200025704644_100011216261 [0,2,0,0,0,0|1,1,0]=4 3311 B12R1.16 [13CH3]SCC(=O)c1ccc(cc1)O 62a_100009814261_200025704644 [0,2,0,0,0,0|0,1,0]=3 3312 B12R1.16 [13CH3]SCC(=O)c1ccc(cc1)O 62a_200025704644_100009814261 [0,2,0,0,0,0|0,1,0]=3 3313 B12R1.1703 CCC(=O)c1ccc(cc1Br)Br 1458a_100000762965_100000210202 [0,2,0,0,0,0|2,0,0]=4 3314 B12R1.1703 CCC(=O)c1ccc(cc1Br)C 1458a_100000685072_100000210202 [0,2,0,0,0,0|2,0,0]=4 3315 B12R1.1703 CCC(=O)c1ccc(cc1Br)Cl 1458a_100000766353_100000210202 [0,2,0,0,0,0|2,0,0]=4 3316 B12R1.1703 CCC(=O)c1ccc(cc1Br)F 1458a_100000212304_100000210202 [0,2,0,0,0,0|2,0,0]=4 3317 B12R1.1703 CCC(=O)c1ccc(cc1Br)I 1458a_100012360512_100000210202 [0,2,0,0,0,0|2,0,0]=4 3318 B12R1.1703 CCC(=O)c1ccc(cc1Br)O 1458a_100012344906_100000210202 [0,2,0,0,0,0|1,0,0]=3 3319 B12R1.1703 CCC(=O)c1ccc(cc1C)Br 1458a_100000741311_100000210202 [0,2,0,0,0,0|2,0,0]=4 3320 B12R1.1703 CCC(=O)c1ccc(cc1C)C 1458a_100000211164_100000210202 [0,2,0,0,0,0|2,0,0]=4 3321 B12R1.1703 CCC(=O)c1ccc(cc1C)Cl 1458a_100000688705_100000210202 [0,2,0,0,0,0|2,0,0]=4 3322 B12R1.1703 CCC(=O)c1ccc(cc1C)F 1458a_100000686989_100000210202 [0,2,0,0,0,0|2,0,0]=4 3323 B12R1.1703 CCC(=O)c1ccc(cc1C)I 1458a_100010189873_100000210202 [0,2,0,0,0,0|2,0,0]=4 3324 B12R1.1703 CCC(=O)c1ccc(cc1C)O 1458a_100000692822_100000210202 [0,2,0,0,0,0|1,0,0]=3 3325 B12R1.1703 CCC(=O)c1ccc(cc1C)O 271570a_203496583355_200012361375 [0,2,0,0,0,0|1,0,0]=3 3326 B12R1.1703 CCC(=O)c1ccc(cc1Cl)Br 1458a_100000741628_100000210202 [0,2,0,0,0,0|2,0,0]=4 3327 B12R1.1703 CCC(=O)c1ccc(cc1Cl)C 1458a_100000766932_100000210202 [0,2,0,0,0,0|2,0,0]=4 3328 B12R1.1703 CCC(=O)c1ccc(cc1Cl)Cl 1458a_100000185840_100000210202 [0,2,0,0,0,0|2,0,0]=4 3329 B12R1.1703 CCC(=O)c1ccc(cc1Cl)F 1458a_100000211397_100000210202 [0,2,0,0,0,0|2,0,0]=4 3330 B12R1.1703 CCC(=O)c1ccc(cc1Cl)I 1458a_100000751301_100000210202 [0,2,0,0,0,0|2,0,0]=4 3331 B12R1.1703 CCC(=O)c1ccc(cc1Cl)O 1458a_100000702456_100000210202 [0,2,0,0,0,0|1,0,0]=3 3332 B12R1.1703 CCC(=O)c1ccc(cc1F)Br 1458a_100000214689_100000210202 [0,2,0,0,0,0|2,0,0]=4 3333 B12R1.1703 CCC(=O)c1ccc(cc1F)C 1458a_100000766033_100000210202 [0,2,0,0,0,0|2,0,0]=4 3334 B12R1.1703 CCC(=O)c1ccc(cc1F)Cl 1458a_100000212326_100000210202 [0,2,0,0,0,0|2,0,0]=4 3335 B12R1.1703 CCC(=O)c1ccc(cc1F)F 1458a_100000211022_100000210202 [0,2,0,0,0,0|2,0,0]=4 3336 B12R1.1703 CCC(=O)c1ccc(cc1F)I 1458a_100000037189_100000210202 [0,2,0,0,0,0|2,0,0]=4 3337 B12R1.1703 CCC(=O)c1ccc(cc1F)O 1458a_100000689029_100000210202 [0,2,0,0,0,0|1,0,0]=3 3338 B12R1.1703 CCC(=O)c1ccc(cc1F)O 271570a_203496583355_100012360378 [0,2,0,0,0,0|1,0,0]=3 3339 B12R1.1703 CCC(=O)c1ccc(cc1I)Br 1458a_100000751167_100000210202 [0,2,0,0,0,0|2,0,0]=4 3340 B12R1.1703 CCC(=O)c1ccc(cc1I)C 1458a_100009999607_100000210202 [0,2,0,0,0,0|2,0,0]=4 3341 B12R1.1703 CCC(=O)c1ccc(cc1I)Cl 1458a_100000739380_100000210202 [0,2,0,0,0,0|2,0,0]=4 3342 B12R1.1703 CCC(=O)c1ccc(cc1I)F 1458a_100000739341_100000210202 [0,2,0,0,0,0|2,0,0]=4 3343 B12R1.1703 CCC(=O)c1ccc(cc1O)Br 1458a_100000744433_100000210202 [0,2,0,0,0,0|2,0,0]=4 3344 B12R1.1703 CCC(=O)c1ccc(cc1O)C 1458a_100000212137_100000210202 [0,2,0,0,0,0|2,0,0]=4 3345 B12R1.1703 CCC(=O)c1ccc(cc1O)C 271570a_203496583355_200012349623 [0,2,0,0,0,0|2,0,0]=4 3346 B12R1.1703 CCC(=O)c1ccc(cc1O)Cl 1458a_100000188622_100000210202 [0,2,0,0,0,0|2,0,0]=4 3347 B12R1.1703 CCC(=O)c1ccc(cc1O)F 1458a_100000746061_100000210202 [0,2,0,0,0,0|2,0,0]=4 3348 B12R1.1703 CCC(=O)c1ccc(cc1O)I 1458a_100000091984_100000210202 [0,2,0,0,0,0|2,0,0]=4 3349 B12R1.1703 CCC(=O)c1ccc(cc1O)O 1458a_100000212172_100000210202 [0,2,0,0,0,0|1,0,0]=3 3350 B12R1.1703 CNC(=O)c1ccc(cc1Br)Br 11a_106832991635_100000762965 [0,2,0,0,0,0|2,0,0]=4 3351 B12R1.1703 CNC(=O)c1ccc(cc1Br)Br 1626a_100102657272_100000762965 [0,2,0,0,0,0|2,0,0]=4 3352 B12R1.1703 CNC(=O)c1ccc(cc1Br)Br 240690a_100102657272_100000762965 [0,2,0,0,0,0|2,0,0]=4 3353 B12R1.1703 CNC(=O)c1ccc(cc1Br)Br 527a_100102657272_100000762965 [0,2,0,0,0,0|2,0,0]=4 3354 B12R1.1703 CNC(=O)c1ccc(cc1Br)C 11a_106832991635_100000685072 [0,2,0,0,0,0|2,0,0]=4 3355 B12R1.1703 CNC(=O)c1ccc(cc1Br)C 1626a_100102657272_100000685072 [0,2,0,0,0,0|2,0,0]=4 3356 B12R1.1703 CNC(=O)c1ccc(cc1Br)C 240690a_100102657272_100000685072 [0,2,0,0,0,0|2,0,0]=4 3357 B12R1.1703 CNC(=O)c1ccc(cc1Br)C 527a_100102657272_100000685072 [0,2,0,0,0,0|2,0,0]=4 3358 B12R1.1703 CNC(=O)c1ccc(cc1Br)Cl 11a_106832991635_100000766353 [0,2,0,0,0,0|2,0,0]=4 3359 B12R1.1703 CNC(=O)c1ccc(cc1Br)Cl 1626a_100102657272_100000766353 [0,2,0,0,0,0|2,0,0]=4 3360 B12R1.1703 CNC(=O)c1ccc(cc1Br)Cl 240690a_100102657272_100000766353 [0,2,0,0,0,0|2,0,0]=4 3361 B12R1.1703 CNC(=O)c1ccc(cc1Br)Cl 527a_100102657272_100000766353 [0,2,0,0,0,0|2,0,0]=4 3362 B12R1.1703 CNC(=O)c1ccc(cc1Br)F 11a_106832991635_100000212304 [0,2,0,0,0,0|2,0,0]=4 3363 B12R1.1703 CNC(=O)c1ccc(cc1Br)F 1626a_100102657272_100000212304 [0,2,0,0,0,0|2,0,0]=4 3364 B12R1.1703 CNC(=O)c1ccc(cc1Br)F 240690a_100102657272_100000212304 [0,2,0,0,0,0|2,0,0]=4 3365 B12R1.1703 CNC(=O)c1ccc(cc1Br)F 527a_100102657272_100000212304 [0,2,0,0,0,0|2,0,0]=4 3366 B12R1.1703 CNC(=O)c1ccc(cc1Br)I 11a_106832991635_100012360512 [0,2,0,0,0,0|2,0,0]=4 3367 B12R1.1703 CNC(=O)c1ccc(cc1Br)I 1626a_100102657272_100012360512 [0,2,0,0,0,0|2,0,0]=4 3368 B12R1.1703 CNC(=O)c1ccc(cc1Br)I 240690a_100102657272_100012360512 [0,2,0,0,0,0|2,0,0]=4 3369 B12R1.1703 CNC(=O)c1ccc(cc1Br)I 527a_100102657272_100012360512 [0,2,0,0,0,0|2,0,0]=4 3370 B12R1.1703 CNC(=O)c1ccc(cc1Br)O 240690a_100102657272_100012344906 [0,2,0,0,0,0|1,0,0]=3 3371 B12R1.1703 CNC(=O)c1ccc(cc1Br)O 527a_100102657272_100012344906 [0,2,0,0,0,0|1,0,0]=3 3372 B12R1.1703 CNC(=O)c1ccc(cc1C)Br 11a_106832991635_100000741311 [0,2,0,0,0,0|2,0,0]=4 3373 B12R1.1703 CNC(=O)c1ccc(cc1C)Br 1626a_100102657272_100000741311 [0,2,0,0,0,0|2,0,0]=4 3374 B12R1.1703 CNC(=O)c1ccc(cc1C)Br 240690a_100102657272_100000741311 [0,2,0,0,0,0|2,0,0]=4 3375 B12R1.1703 CNC(=O)c1ccc(cc1C)Br 527a_100102657272_100000741311 [0,2,0,0,0,0|2,0,0]=4 3376 B12R1.1703 CNC(=O)c1ccc(cc1C)C 11a_106832991635_100000211164 [0,2,0,0,0,0|2,0,0]=4 3377 B12R1.1703 CNC(=O)c1ccc(cc1C)C 1626a_100102657272_100000211164 [0,2,0,0,0,0|2,0,0]=4 3378 B12R1.1703 CNC(=O)c1ccc(cc1C)C 240690a_100102657272_100000211164 [0,2,0,0,0,0|2,0,0]=4 3379 B12R1.1703 CNC(=O)c1ccc(cc1C)C 527a_100102657272_100000211164 [0,2,0,0,0,0|2,0,0]=4 3380 B12R1.1703 CNC(=O)c1ccc(cc1C)Cl 11a_106832991635_100000688705 [0,2,0,0,0,0|2,0,0]=4 3381 B12R1.1703 CNC(=O)c1ccc(cc1C)Cl 1626a_100102657272_100000688705 [0,2,0,0,0,0|2,0,0]=4 3382 B12R1.1703 CNC(=O)c1ccc(cc1C)Cl 240690a_100102657272_100000688705 [0,2,0,0,0,0|2,0,0]=4 3383 B12R1.1703 CNC(=O)c1ccc(cc1C)Cl 527a_100102657272_100000688705 [0,2,0,0,0,0|2,0,0]=4 3384 B12R1.1703 CNC(=O)c1ccc(cc1C)F 11a_106832991635_100000686989 [0,2,0,0,0,0|2,0,0]=4 3385 B12R1.1703 CNC(=O)c1ccc(cc1C)F 1626a_100102657272_100000686989 [0,2,0,0,0,0|2,0,0]=4 3386 B12R1.1703 CNC(=O)c1ccc(cc1C)F 240690a_100102657272_100000686989 [0,2,0,0,0,0|2,0,0]=4 3387 B12R1.1703 CNC(=O)c1ccc(cc1C)F 527a_100102657272_100000686989 [0,2,0,0,0,0|2,0,0]=4 3388 B12R1.1703 CNC(=O)c1ccc(cc1C)I 11a_106832991635_100010189873 [0,2,0,0,0,0|2,0,0]=4 3389 B12R1.1703 CNC(=O)c1ccc(cc1C)I 1626a_100102657272_100010189873 [0,2,0,0,0,0|2,0,0]=4 3390 B12R1.1703 CNC(=O)c1ccc(cc1C)I 240690a_100102657272_100010189873 [0,2,0,0,0,0|2,0,0]=4 3391 B12R1.1703 CNC(=O)c1ccc(cc1C)I 527a_100102657272_100010189873 [0,2,0,0,0,0|2,0,0]=4 3392 B12R1.1703 CNC(=O)c1ccc(cc1C)O 240690a_100102657272_100000692822 [0,2,0,0,0,0|1,0,0]=3 3393 B12R1.1703 CNC(=O)c1ccc(cc1C)O 527a_100102657272_100000692822 [0,2,0,0,0,0|1,0,0]=3 3394 B12R1.1703 CNC(=O)c1ccc(cc1Cl)Br 11a_106832991635_100000741628 [0,2,0,0,0,0|2,0,0]=4 3395 B12R1.1703 CNC(=O)c1ccc(cc1Cl)Br 1626a_100102657272_100000741628 [0,2,0,0,0,0|2,0,0]=4 3396 B12R1.1703 CNC(=O)c1ccc(cc1Cl)Br 240690a_100102657272_100000741628 [0,2,0,0,0,0|2,0,0]=4 3397 B12R1.1703 CNC(=O)c1ccc(cc1Cl)Br 527a_100102657272_100000741628 [0,2,0,0,0,0|2,0,0]=4 3398 B12R1.1703 CNC(=O)c1ccc(cc1Cl)C 11a_106832991635_100000766932 [0,2,0,0,0,0|2,0,0]=4 3399 B12R1.1703 CNC(=O)c1ccc(cc1Cl)C 1626a_100102657272_100000766932 [0,2,0,0,0,0|2,0,0]=4 3400 B12R1.1703 CNC(=O)c1ccc(cc1Cl)C 240690a_100102657272_100000766932 [0,2,0,0,0,0|2,0,0]=4 3401 B12R1.1703 CNC(=O)c1ccc(cc1Cl)C 527a_100102657272_100000766932 [0,2,0,0,0,0|2,0,0]=4 3402 B12R1.1703 CNC(=O)c1ccc(cc1Cl)Cl 11a_106832991635_100000185840 [0,2,0,0,0,0|2,0,0]=4 3403 B12R1.1703 CNC(=O)c1ccc(cc1Cl)Cl 1626a_100102657272_100000185840 [0,2,0,0,0,0|2,0,0]=4 3404 B12R1.1703 CNC(=O)c1ccc(cc1Cl)Cl 240690a_100102657272_100000185840 [0,2,0,0,0,0|2,0,0]=4 3405 B12R1.1703 CNC(=O)c1ccc(cc1Cl)Cl 527a_100102657272_100000185840 [0,2,0,0,0,0|2,0,0]=4 3406 B12R1.1703 CNC(=O)c1ccc(cc1Cl)F 11a_106832991635_100000211397 [0,2,0,0,0,0|2,0,0]=4 3407 B12R1.1703 CNC(=O)c1ccc(cc1Cl)F 1626a_100102657272_100000211397 [0,2,0,0,0,0|2,0,0]=4 3408 B12R1.1703 CNC(=O)c1ccc(cc1Cl)F 240690a_100102657272_100000211397 [0,2,0,0,0,0|2,0,0]=4 3409 B12R1.1703 CNC(=O)c1ccc(cc1Cl)F 527a_100102657272_100000211397 [0,2,0,0,0,0|2,0,0]=4 3410 B12R1.1703 CNC(=O)c1ccc(cc1Cl)I 11a_106832991635_100000751301 [0,2,0,0,0,0|2,0,0]=4 3411 B12R1.1703 CNC(=O)c1ccc(cc1Cl)I 1626a_100102657272_100000751301 [0,2,0,0,0,0|2,0,0]=4 3412 B12R1.1703 CNC(=O)c1ccc(cc1Cl)I 240690a_100102657272_100000751301 [0,2,0,0,0,0|2,0,0]=4 3413 B12R1.1703 CNC(=O)c1ccc(cc1Cl)I 527a_100102657272_100000751301 [0,2,0,0,0,0|2,0,0]=4 3414 B12R1.1703 CNC(=O)c1ccc(cc1Cl)O 240690a_100102657272_100000702456 [0,2,0,0,0,0|1,0,0]=3 3415 B12R1.1703 CNC(=O)c1ccc(cc1Cl)O 527a_100102657272_100000702456 [0,2,0,0,0,0|1,0,0]=3 3416 B12R1.1703 CNC(=O)c1ccc(cc1F)Br 11a_106832991635_100000214689 [0,2,0,0,0,0|2,0,0]=4 3417 B12R1.1703 CNC(=O)c1ccc(cc1F)Br 1626a_100102657272_100000214689 [0,2,0,0,0,0|2,0,0]=4 3418 B12R1.1703 CNC(=O)c1ccc(cc1F)Br 240690a_100102657272_100000214689 [0,2,0,0,0,0|2,0,0]=4 3419 B12R1.1703 CNC(=O)c1ccc(cc1F)Br 527a_100102657272_100000214689 [0,2,0,0,0,0|2,0,0]=4 3420 B12R1.1703 CNC(=O)c1ccc(cc1F)C 11a_106832991635_100000766033 [0,2,0,0,0,0|2,0,0]=4 3421 B12R1.1703 CNC(=O)c1ccc(cc1F)C 1626a_100102657272_100000766033 [0,2,0,0,0,0|2,0,0]=4 3422 B12R1.1703 CNC(=O)c1ccc(cc1F)C 240690a_100102657272_100000766033 [0,2,0,0,0,0|2,0,0]=4 3423 B12R1.1703 CNC(=O)c1ccc(cc1F)C 527a_100102657272_100000766033 [0,2,0,0,0,0|2,0,0]=4 3424 B12R1.1703 CNC(=O)c1ccc(cc1F)Cl 11a_106832991635_100000212326 [0,2,0,0,0,0|2,0,0]=4 3425 B12R1.1703 CNC(=O)c1ccc(cc1F)Cl 1626a_100102657272_100000212326 [0,2,0,0,0,0|2,0,0]=4 3426 B12R1.1703 CNC(=O)c1ccc(cc1F)Cl 240690a_100102657272_100000212326 [0,2,0,0,0,0|2,0,0]=4 3427 B12R1.1703 CNC(=O)c1ccc(cc1F)Cl 527a_100102657272_100000212326 [0,2,0,0,0,0|2,0,0]=4 3428 B12R1.1703 CNC(=O)c1ccc(cc1F)F 11a_106832991635_100000211022 [0,2,0,0,0,0|2,0,0]=4 3429 B12R1.1703 CNC(=O)c1ccc(cc1F)F 1626a_100102657272_100000211022 [0,2,0,0,0,0|2,0,0]=4 3430 B12R1.1703 CNC(=O)c1ccc(cc1F)F 240690a_100102657272_100000211022 [0,2,0,0,0,0|2,0,0]=4 3431 B12R1.1703 CNC(=O)c1ccc(cc1F)F 527a_100102657272_100000211022 [0,2,0,0,0,0|2,0,0]=4 3432 B12R1.1703 CNC(=O)c1ccc(cc1F)I 11a_106832991635_100000037189 [0,2,0,0,0,0|2,0,0]=4 3433 B12R1.1703 CNC(=O)c1ccc(cc1F)I 1626a_100102657272_100000037189 [0,2,0,0,0,0|2,0,0]=4 3434 B12R1.1703 CNC(=O)c1ccc(cc1F)I 240690a_100102657272_100000037189 [0,2,0,0,0,0|2,0,0]=4 3435 B12R1.1703 CNC(=O)c1ccc(cc1F)I 527a_100102657272_100000037189 [0,2,0,0,0,0|2,0,0]=4 3436 B12R1.1703 CNC(=O)c1ccc(cc1F)O 240690a_100102657272_100000689029 [0,2,0,0,0,0|1,0,0]=3 3437 B12R1.1703 CNC(=O)c1ccc(cc1F)O 271570a_203496583355_100000233932 [0,2,0,0,0,0|1,0,0]=3 3438 B12R1.1703 CNC(=O)c1ccc(cc1F)O 527a_100102657272_100000689029 [0,2,0,0,0,0|1,0,0]=3 3439 B12R1.1703 CNC(=O)c1ccc(cc1I)Br 11a_106832991635_100000751167 [0,2,0,0,0,0|2,0,0]=4 3440 B12R1.1703 CNC(=O)c1ccc(cc1I)Br 1626a_100102657272_100000751167 [0,2,0,0,0,0|2,0,0]=4 3441 B12R1.1703 CNC(=O)c1ccc(cc1I)Br 240690a_100102657272_100000751167 [0,2,0,0,0,0|2,0,0]=4 3442 B12R1.1703 CNC(=O)c1ccc(cc1I)Br 527a_100102657272_100000751167 [0,2,0,0,0,0|2,0,0]=4 3443 B12R1.1703 CNC(=O)c1ccc(cc1I)C 11a_106832991635_100009999607 [0,2,0,0,0,0|2,0,0]=4 3444 B12R1.1703 CNC(=O)c1ccc(cc1I)C 1626a_100102657272_100009999607 [0,2,0,0,0,0|2,0,0]=4 3445 B12R1.1703 CNC(=O)c1ccc(cc1I)C 240690a_100102657272_100009999607 [0,2,0,0,0,0|2,0,0]=4 3446 B12R1.1703 CNC(=O)c1ccc(cc1I)C 527a_100102657272_100009999607 [0,2,0,0,0,0|2,0,0]=4 3447 B12R1.1703 CNC(=O)c1ccc(cc1I)Cl 11a_106832991635_100000739380 [0,2,0,0,0,0|2,0,0]=4 3448 B12R1.1703 CNC(=O)c1ccc(cc1I)Cl 1626a_100102657272_100000739380 [0,2,0,0,0,0|2,0,0]=4 3449 B12R1.1703 CNC(=O)c1ccc(cc1I)Cl 240690a_100102657272_100000739380 [0,2,0,0,0,0|2,0,0]=4 3450 B12R1.1703 CNC(=O)c1ccc(cc1I)Cl 527a_100102657272_100000739380 [0,2,0,0,0,0|2,0,0]=4 3451 B12R1.1703 CNC(=O)c1ccc(cc1I)F 11a_106832991635_100000739341 [0,2,0,0,0,0|2,0,0]=4 3452 B12R1.1703 CNC(=O)c1ccc(cc1I)F 1626a_100102657272_100000739341 [0,2,0,0,0,0|2,0,0]=4 3453 B12R1.1703 CNC(=O)c1ccc(cc1I)F 240690a_100102657272_100000739341 [0,2,0,0,0,0|2,0,0]=4 3454 B12R1.1703 CNC(=O)c1ccc(cc1I)F 527a_100102657272_100000739341 [0,2,0,0,0,0|2,0,0]=4 3455 B12R1.1703 CNC(=O)c1ccc(cc1O)Br 240690a_100102657272_100000744433 [0,2,0,0,0,0|2,0,0]=4 3456 B12R1.1703 CNC(=O)c1ccc(cc1O)Br 527a_100102657272_100000744433 [0,2,0,0,0,0|2,0,0]=4 3457 B12R1.1703 CNC(=O)c1ccc(cc1O)C 1626a_100102657272_100000212137 [0,2,0,0,0,0|2,0,0]=4 3458 B12R1.1703 CNC(=O)c1ccc(cc1O)C 240690a_100102657272_100000212137 [0,2,0,0,0,0|2,0,0]=4 3459 B12R1.1703 CNC(=O)c1ccc(cc1O)C 527a_100102657272_100000212137 [0,2,0,0,0,0|2,0,0]=4 3460 B12R1.1703 CNC(=O)c1ccc(cc1O)Cl 11a_106832991635_100000188622 [0,2,0,0,0,0|2,0,0]=4 3461 B12R1.1703 CNC(=O)c1ccc(cc1O)Cl 240690a_100102657272_100000188622 [0,2,0,0,0,0|2,0,0]=4 3462 B12R1.1703 CNC(=O)c1ccc(cc1O)Cl 527a_100102657272_100000188622 [0,2,0,0,0,0|2,0,0]=4 3463 B12R1.1703 CNC(=O)c1ccc(cc1O)F 240690a_100102657272_100000746061 [0,2,0,0,0,0|2,0,0]=4 3464 B12R1.1703 CNC(=O)c1ccc(cc1O)F 271570a_203496583355_200000206206 [0,2,0,0,0,0|2,0,0]=4 3465 B12R1.1703 CNC(=O)c1ccc(cc1O)F 527a_100102657272_100000746061 [0,2,0,0,0,0|2,0,0]=4 3466 B12R1.1703 CNC(=O)c1ccc(cc1O)I 240690a_100102657272_100000091984 [0,2,0,0,0,0|2,0,0]=4 3467 B12R1.1703 CNC(=O)c1ccc(cc1O)I 527a_100102657272_100000091984 [0,2,0,0,0,0|2,0,0]=4 3468 B12R1.1703 COC(=O)c1ccc(c[n+]1[O-])O 271570a_203496583355_100015641791 [0,2,0,0,0,0|1,0,0]=3 3469 B12R1.1703 COC(=O)c1ccc(cc1Br)O 271570a_203496583355_100010247156 [0,2,0,0,0,0|0,0,0]=2 3470 B12R1.1703 COC(=O)c1ccc(cc1C)O 271570a_203496583355_100000747612 [0,2,0,0,0,0|0,0,0]=2 3471 B12R1.1703 COC(=O)c1ccc(cc1Cl)O 271570a_203496583355_100000060724 [0,2,0,0,0,0|0,0,0]=2 3472 B12R1.1703 COC(=O)c1ccc(cc1F)O 271570a_203496583355_100000216654 [0,2,0,0,0,0|0,0,0]=2 3473 B12R1.1703 COC(=O)c1ccc(cc1N)O 271570a_203496583355_100011373473 [0,2,0,0,0,0|0,0,0]=2 3474 B12R1.1703 COC(=O)c1ccc(cc1O)Br 271570a_203496583355_100000701758 [0,2,0,0,0,0|1,0,0]=3 3475 B12R1.1703 COC(=O)c1ccc(cc1O)C 271570a_203496583355_100012340597 [0,2,0,0,0,0|1,0,0]=3 3476 B12R1.1703 COC(=O)c1ccc(cc1O)Cl 271570a_203496583355_100000047510 [0,2,0,0,0,0|1,0,0]=3 3477 B12R1.1703 COC(=O)c1ccc(cc1O)F 271570a_203496583355_100000204356 [0,2,0,0,0,0|1,0,0]=3 3478 B12R1.1703 COC(=O)c1ccc(cc1O)N 271570a_203496583355_100009998378 [0,2,0,0,0,0|1,0,0]=3 3479 B12R1.1703 COC(=O)c1ccc(cc1O)O 271570a_203496583355_100000062286 [0,2,0,0,0,0|0,0,0]=2 3480 B12R1.1703 COC(=O)c1ccc(cc1O)O 271570a_203496583355_100010150825 [0,2,0,0,0,0|0,0,0]=2 3481 B12R1.1703 COC(=O)c1ccc(nc1C)O 271570a_203496583355_100000692007 [0,2,0,0,0,0|1,0,0]=3 3482 B12R1.1703 COC(=O)c1ccc(nc1F)O 271570a_203496583355_100010189635 [0,2,0,0,0,0|1,0,0]=3 3483 B12R1.1703 COC(=O)c1ccc(nc1N)O 271570a_203496583355_100000142702 [0,2,0,0,0,0|1,0,0]=3 3484 B12R1.1703 COC(=O)c1ccc(nc1O)C 271570a_203496583355_100000054099 [0,2,0,0,0,0|2,0,0]=4 3485 B12R1.1703 COC(=O)c1ccc(nc1O)N 271570a_203496583355_100009865240 [0,2,0,0,0,0|2,0,0]=4 3486 B12R1.1703 COC(=O)c1ccc(nc1O)O 271570a_203496583355_100015962272 [0,2,0,0,0,0|1,0,0]=3 3487 B12R1.1703 COC(=O)c1ccc(nc1O)O 271570a_203496583355_100016008356 [0,2,0,0,0,0|1,0,0]=3 3488 B12R1.1703 COC(=O)c1cnc(cc1C)O 271570a_203496583355_100009871181 [0,2,0,0,0,0|1,0,0]=3 3489 B12R1.1703 COC(=O)c1cnc(cc1N)O 271570a_203496583355_100009862510 [0,2,0,0,0,0|1,0,0]=3 3490 B12R1.1703 COC(=O)c1cnc(cc1O)C 271570a_203496583355_100011998247 [0,2,0,0,0,0|2,0,0]=4 3491 B12R1.1703 COC(=O)c1cnc(nc1N)O 271570a_203496583355_200009866963 [0,2,0,0,0,0|2,0,0]=4 3492 B12R1.1703 COC(=O)c1ncc(cc1C)O 271570a_203496583355_100010178714 [0,2,0,0,0,0|1,0,0]=3 3493 B12R1.1703 COC(=O)c1ncc(cc1F)O 271570a_203496583355_100000695675 [0,2,0,0,0,0|1,0,0]=3 3494 B12R1.1703 COC(=O)c1ncc(cc1N)O 271570a_203496583355_100010090751 [0,2,0,0,0,0|1,0,0]=3 3495 B12R1.1703 COC(=O)c1ncc(cc1O)C 271570a_203496583355_100010167497 [0,2,0,0,0,0|2,0,0]=4 3496 B12R1.1703 COC(=O)c1ncc(cc1O)F 271570a_203496583355_100010189631 [0,2,0,0,0,0|2,0,0]=4 3497 B12R1.1703 COC(=O)c1ncc(cc1O)O 271570a_203496583355_100010071521 [0,2,0,0,0,0|1,0,0]=3 3498 B12R1.1703 Cc1cc(ccc1C(=O)CF)Br 1458a_100000741311_100015361967 [0,2,0,0,0,0|2,0,0]=4 3499 B12R1.1703 Cc1cc(ccc1C(=O)CF)Cl 1458a_100000688705_100015361967 [0,2,0,0,0,0|2,0,0]=4 3500 B12R1.1703 Cc1cc(ccc1C(=O)CF)F 1458a_100000686989_100015361967 [0,2,0,0,0,0|2,0,0]=4 3501 B12R1.1703 Cc1cc(ccc1C(=O)CF)I 1458a_100010189873_100015361967 [0,2,0,0,0,0|2,0,0]=4 3502 B12R1.1703 Cc1cc(ccc1C(=O)CF)O 1458a_100000692822_100015361967 [0,2,0,0,0,0|1,0,0]=3 3503 B12R1.1703 Cc1cc(ccc1[C@H](N)CO)O 271570a_203496583355_100138412551 [0,2,0,0,0,0|1,0,1]=4 3504 B12R1.1703 Cc1ccc(c(c1)Br)C(=O)CF 1458a_100000685072_100015361967 [0,2,0,0,0,0|2,0,0]=4 3505 B12R1.1703 Cc1ccc(c(c1)C)C(=O)CF 1458a_100000211164_100015361967 [0,2,0,0,0,0|2,0,0]=4 3506 B12R1.1703 Cc1ccc(c(c1)Cl)C(=O)CF 1458a_100000766932_100015361967 [0,2,0,0,0,0|2,0,0]=4 3507 B12R1.1703 Cc1ccc(c(c1)F)C(=O)CF 1458a_100000766033_100015361967 [0,2,0,0,0,0|2,0,0]=4 3508 B12R1.1703 Cc1ccc(c(c1)I)C(=O)CF 1458a_100009999607_100015361967 [0,2,0,0,0,0|2,0,0]=4 3509 B12R1.1703 Cc1ccc(c(c1)O)C(=O)CF 1458a_100000212137_100015361967 [0,2,0,0,0,0|2,0,0]=4 3510 B12R1.1703 Cc1ccc(c(c1)O)C(=O)NN 271570a_203496583355_200012340525 [0,2,0,0,0,0|2,0,0]=4 3511 B12R1.1703 NNC(=O)c1ccc(cc1O)F 271570a_203496583355_100000203923 [0,2,0,0,0,0|2,0,0]=4 3512 B12R1.1703 O=C(CF)c1ccc(cc1Br)Br 1458a_100000762965_100015361967 [0,2,0,0,0,0|2,0,0]=4 3513 B12R1.1703 O=C(CF)c1ccc(cc1Br)Cl 1458a_100000766353_100015361967 [0,2,0,0,0,0|2,0,0]=4 3514 B12R1.1703 O=C(CF)c1ccc(cc1Br)F 1458a_100000212304_100015361967 [0,2,0,0,0,0|2,0,0]=4 3515 B12R1.1703 O=C(CF)c1ccc(cc1Br)I 1458a_100012360512_100015361967 [0,2,0,0,0,0|2,0,0]=4 3516 B12R1.1703 O=C(CF)c1ccc(cc1Br)O 1458a_100012344906_100015361967 [0,2,0,0,0,0|1,0,0]=3 3517 B12R1.1703 O=C(CF)c1ccc(cc1Cl)Br 1458a_100000741628_100015361967 [0,2,0,0,0,0|2,0,0]=4 3518 B12R1.1703 O=C(CF)c1ccc(cc1Cl)Cl 1458a_100000185840_100015361967 [0,2,0,0,0,0|2,0,0]=4 3519 B12R1.1703 O=C(CF)c1ccc(cc1Cl)F 1458a_100000211397_100015361967 [0,2,0,0,0,0|2,0,0]=4 3520 B12R1.1703 O=C(CF)c1ccc(cc1Cl)I 1458a_100000751301_100015361967 [0,2,0,0,0,0|2,0,0]=4 3521 B12R1.1703 O=C(CF)c1ccc(cc1Cl)O 1458a_100000702456_100015361967 [0,2,0,0,0,0|1,0,0]=3 3522 B12R1.1703 O=C(CF)c1ccc(cc1F)Br 1458a_100000214689_100015361967 [0,2,0,0,0,0|2,0,0]=4 3523 B12R1.1703 O=C(CF)c1ccc(cc1F)Cl 1458a_100000212326_100015361967 [0,2,0,0,0,0|2,0,0]=4 3524 B12R1.1703 O=C(CF)c1ccc(cc1F)F 1458a_100000211022_100015361967 [0,2,0,0,0,0|2,0,0]=4 3525 B12R1.1703 O=C(CF)c1ccc(cc1F)I 1458a_100000037189_100015361967 [0,2,0,0,0,0|2,0,0]=4 3526 B12R1.1703 O=C(CF)c1ccc(cc1F)O 1458a_100000689029_100015361967 [0,2,0,0,0,0|1,0,0]=3 3527 B12R1.1703 O=C(CF)c1ccc(cc1I)Br 1458a_100000751167_100015361967 [0,2,0,0,0,0|2,0,0]=4 3528 B12R1.1703 O=C(CF)c1ccc(cc1I)Cl 1458a_100000739380_100015361967 [0,2,0,0,0,0|2,0,0]=4 3529 B12R1.1703 O=C(CF)c1ccc(cc1I)F 1458a_100000739341_100015361967 [0,2,0,0,0,0|2,0,0]=4 3530 B12R1.1703 O=C(CF)c1ccc(cc1O)Br 1458a_100000744433_100015361967 [0,2,0,0,0,0|2,0,0]=4 3531 B12R1.1703 O=C(CF)c1ccc(cc1O)Cl 1458a_100000188622_100015361967 [0,2,0,0,0,0|2,0,0]=4 3532 B12R1.1703 O=C(CF)c1ccc(cc1O)F 1458a_100000746061_100015361967 [0,2,0,0,0,0|2,0,0]=4 3533 B12R1.1703 O=C(CF)c1ccc(cc1O)I 1458a_100000091984_100015361967 [0,2,0,0,0,0|2,0,0]=4 3534 B12R1.1703 O=C(CF)c1ccc(cc1O)O 1458a_100000212172_100015361967 [0,2,0,0,0,0|1,0,0]=3 3535 B12R1.57 C=C(C)c1ccc(cc1C#N)O 271570a_100000694244_100009818209 [0,2,0,0,0,0|2,0,0]=4 3536 B12R1.57 C=C(C)c1ccc(cc1C=O)O 271570a_100000694244_100000690577 [0,2,0,0,0,0|2,0,0]=4 3537 B12R1.57 C=C(C)c1ccc(cc1CO)O 271570a_100000694244_100012351483 [0,2,0,0,0,0|2,0,0]=4 3538 B12R1.57 C=C(C)c1ccc(cc1OC)O 271570a_100000694244_100011827694 [0,2,0,0,0,0|2,0,0]=4 3539 B12R1.57 C=Cc1cc(ccc1C(=O)C)C 271570a_100011290941_100012353930 [0,2,0,0,0,0|2,0,0]=4 3540 B12R1.57 C=Cc1cc(ccc1C(=O)C)F 271570a_100011290941_100000686192 [0,2,0,0,0,0|2,0,0]=4 3541 B12R1.57 C=Cc1cc(ccc1C(=O)C)O 271570a_100011290941_100012340537 [0,2,0,0,0,0|1,0,0]=3 3542 B12R1.57 C=Cc1cc(ccc1C(=O)N)Br 271570a_100011290941_100009815748 [0,2,0,0,0,0|2,0,0]=4 3543 B12R1.57 C=Cc1cc(ccc1C(=O)N)F 271570a_100011290941_100000206404 [0,2,0,0,0,0|2,0,0]=4 3544 B12R1.57 CC(=O)c1ccc(cc1C#N)Br 1458a_100012349539_200000210301 [0,2,0,0,0,0|2,0,0]=4 3545 B12R1.57 CC(=O)c1ccc(cc1C#N)C 1458a_200012184421_200000210301 [0,2,0,0,0,0|2,0,0]=4 3546 B12R1.57 CC(=O)c1ccc(cc1C#N)F 1458a_100012002388_200000210301 [0,2,0,0,0,0|2,0,0]=4 3547 B12R1.57 CC(=O)c1ccc(cc1CO)Br 1458a_100010253900_200000210301 [0,2,0,0,0,0|2,0,0]=4 3548 B12R1.57 CC(=O)c1ccc(cc1CO)F 1458a_100013035055_200000210301 [0,2,0,0,0,0|2,0,0]=4 3549 B12R1.57 CC(=O)c1ccc(cc1O[13CH3])Br 7a_100000188348_200025704644 [0,2,0,0,0,0|2,0,0]=4 3550 B12R1.57 CC(=O)c1ccc(cc1O[13CH3])C 34a_100000234885_200025704644 [0,2,0,0,0,0|2,0,0]=4 3551 B12R1.57 CC(=O)c1ccc(cc1O[13CH3])C 7a_100000234885_200025704644 [0,2,0,0,0,0|2,0,0]=4 3552 B12R1.57 CC(=O)c1ccc(cc1O[13CH3])Cl 34a_100000061402_200025704644 [0,2,0,0,0,0|2,0,0]=4 3553 B12R1.57 CC(=O)c1ccc(cc1O[13CH3])Cl 7a_100000061402_200025704644 [0,2,0,0,0,0|2,0,0]=4 3554 B12R1.57 CC(=O)c1ccc(cc1O[13CH3])F 7a_100011215782_200025704644 [0,2,0,0,0,0|2,0,0]=4 3555 B12R1.57 CC(=O)c1ccc(cc1S[13CH3])C 62a_100012353930_200025704644 [0,2,0,0,0,0|2,0,0]=4 3556 B12R1.57 CC(=O)c1ccc(cc1S[13CH3])C 62a_200025704644_100012353930 [0,2,0,0,0,0|2,0,0]=4 3557 B12R1.57 CC(=O)c1ccc(cc1S[13CH3])F 62a_100000686192_200025704644 [0,2,0,0,0,0|2,0,0]=4 3558 B12R1.57 CC(=O)c1ccc(cc1S[13CH3])O 62a_100012340537_200025704644 [0,2,0,0,0,0|1,0,0]=3 3559 B12R1.57 CCc1cc(ccc1B(O)O)O 271570a_203496583355_200010732553 [0,2,0,0,0,0|1,0,1]=4 3560 B12R1.57 CCc1cc(ccc1C(=O)C)Br 1458a_200012349896_200000210301 [0,2,0,0,0,0|2,0,0]=4 3561 B12R1.57 CCc1cc(ccc1C(=O)[13CH3])Br 1458a_200012349896_200025704644 [0,2,0,0,0,0|2,0,0]=4 3562 B12R1.57 CNc1cc(ccc1C(=O)C)F 27a_100102657272_100000686192 [0,2,0,0,0,0|2,0,0]=4 3563 B12R1.57 CNc1cc(ccc1C(=O)N)Br 27a_100102657272_100009815748 [0,2,0,0,0,0|2,0,0]=4 3564 B12R1.57 CNc1cc(ccc1C(=O)N)Br 7a_100012349972_200000210301 [0,2,0,0,0,0|2,0,0]=4 3565 B12R1.57 CNc1cc(ccc1C(=O)N)C 34a_100011219537_200000210301 [0,2,0,0,0,0|2,0,0]=4 3566 B12R1.57 CNc1cc(ccc1C(=O)N)C 7a_100011219537_200000210301 [0,2,0,0,0,0|2,0,0]=4 3567 B12R1.57 CNc1cc(ccc1C(=O)N)Cl 34a_100000738103_200000210301 [0,2,0,0,0,0|2,0,0]=4 3568 B12R1.57 CNc1cc(ccc1C(=O)N)Cl 7a_100000738103_200000210301 [0,2,0,0,0,0|2,0,0]=4 3569 B12R1.57 CNc1cc(ccc1C(=O)N)F 27a_100102657272_100000206404 [0,2,0,0,0,0|2,0,0]=4 3570 B12R1.57 CNc1cc(ccc1C(=O)N)F 34a_100011298637_200000210301 [0,2,0,0,0,0|2,0,0]=4 3571 B12R1.57 COc1cc(ccc1B(O)O)O 271570a_203496583355_100010245881 [0,2,0,0,0,0|1,0,1]=4 3572 B12R1.57 COc1cc(ccc1C(=O)C)Br 1458a_100000748230_200000210301 [0,2,0,0,0,0|2,0,0]=4 3573 B12R1.57 COc1cc(ccc1C(=O)C)Br 7a_100000188348_200000210301 [0,2,0,0,0,0|2,0,0]=4 3574 B12R1.57 COc1cc(ccc1C(=O)C)C 1458a_100000217210_200000210301 [0,2,0,0,0,0|2,0,0]=4 3575 B12R1.57 COc1cc(ccc1C(=O)C)C 34a_100000234885_200000210301 [0,2,0,0,0,0|2,0,0]=4 3576 B12R1.57 COc1cc(ccc1C(=O)C)C 7a_100000234885_200000210301 [0,2,0,0,0,0|2,0,0]=4 3577 B12R1.57 COc1cc(ccc1C(=O)C)Cl 1458a_100000217211_200000210301 [0,2,0,0,0,0|2,0,0]=4 3578 B12R1.57 COc1cc(ccc1C(=O)C)Cl 34a_100000061402_200000210301 [0,2,0,0,0,0|2,0,0]=4 3579 B12R1.57 COc1cc(ccc1C(=O)C)Cl 7a_100000061402_200000210301 [0,2,0,0,0,0|2,0,0]=4 3580 B12R1.57 COc1cc(ccc1C(=O)C)F 1458a_100000239970_200000210301 [0,2,0,0,0,0|2,0,0]=4 3581 B12R1.57 COc1cc(ccc1C(=O)C)F 7a_100011215782_200000210301 [0,2,0,0,0,0|2,0,0]=4 3582 B12R1.57 COc1cc(ccc1C(=O)C)I 1458a_100012353712_200000210301 [0,2,0,0,0,0|2,0,0]=4 3583 B12R1.57 COc1cc(ccc1C(=O)C)O 271570a_203496583355_100000709911 [0,2,0,0,0,0|1,0,0]=3 3584 B12R1.57 COc1cc(ccc1C(=O)N)Br 34a_100011550861_200000210301 [0,2,0,0,0,0|2,0,0]=4 3585 B12R1.57 COc1cc(ccc1C(=O)N)Br 7a_100011550861_200000210301 [0,2,0,0,0,0|2,0,0]=4 3586 B12R1.57 COc1cc(ccc1C(=O)N)C 34a_100000192831_200000210301 [0,2,0,0,0,0|2,0,0]=4 3587 B12R1.57 COc1cc(ccc1C(=O)N)C 7a_100000192831_200000210301 [0,2,0,0,0,0|2,0,0]=4 3588 B12R1.57 COc1cc(ccc1C(=O)N)Cl 34a_100000192836_200000210301 [0,2,0,0,0,0|2,0,0]=4 3589 B12R1.57 COc1cc(ccc1C(=O)N)Cl 7a_100000192836_200000210301 [0,2,0,0,0,0|2,0,0]=4 3590 B12R1.57 COc1cc(ccc1C(=O)N)N 34a_100000223280_200000210301 [0,2,0,0,0,0|2,0,0]=4 3591 B12R1.57 COc1cc(ccc1C(=O)N)N 7a_100000223280_200000210301 [0,2,0,0,0,0|2,0,0]=4 3592 B12R1.57 COc1cc(ccc1C(=O)N)O 271570a_203496583355_100000748320 [0,2,0,0,0,0|1,0,0]=3 3593 B12R1.57 COc1cc(ccc1C(=O)[13CH3])Br 1458a_100000748230_200025704644 [0,2,0,0,0,0|2,0,0]=4 3594 B12R1.57 COc1cc(ccc1C(=O)[13CH3])C 1458a_100000217210_200025704644 [0,2,0,0,0,0|2,0,0]=4 3595 B12R1.57 COc1cc(ccc1C(=O)[13CH3])Cl 1458a_100000217211_200025704644 [0,2,0,0,0,0|2,0,0]=4 3596 B12R1.57 COc1cc(ccc1C(=O)[13CH3])F 1458a_100000239970_200025704644 [0,2,0,0,0,0|2,0,0]=4 3597 B12R1.57 COc1cc(ccc1C(=O)[13CH3])I 1458a_100012353712_200025704644 [0,2,0,0,0,0|2,0,0]=4 3598 B12R1.57 COc1cc(cnc1C(=O)C)O 271570a_203496583355_100010137934 [0,2,0,0,0,0|2,0,0]=4 3599 B12R1.57 CSc1cc(ccc1C(=O)C)C 62a_100012353930_200000210301 [0,2,0,0,0,0|2,0,0]=4 3600 B12R1.57 CSc1cc(ccc1C(=O)C)C 62a_200000210301_100012353930 [0,2,0,0,0,0|2,0,0]=4 3601 B12R1.57 CSc1cc(ccc1C(=O)C)F 62a_100000686192_200000210301 [0,2,0,0,0,0|2,0,0]=4 3602 B12R1.57 CSc1cc(ccc1C(=O)C)O 62a_100012340537_200000210301 [0,2,0,0,0,0|1,0,0]=3 3603 B12R1.57 CSc1cc(ccc1C(=O)N)Br 62a_100009815748_200000210301 [0,2,0,0,0,0|2,0,0]=4 3604 B12R1.57 CSc1cc(ccc1C(=O)N)F 62a_100000206404_200000210301 [0,2,0,0,0,0|2,0,0]=4 3605 B12R1.57 CSc1cc(ccc1C(=O)N)F 62a_200000210301_100000206404 [0,2,0,0,0,0|2,0,0]=4 3606 B12R1.57 Cc1ccc(c(c1)C#N)C(=O)[13CH3] 1458a_200012184421_200025704644 [0,2,0,0,0,0|2,0,0]=4 3607 B12R1.57 Cc1ccc(c(c1)N[13CH3])C(=O)N 34a_100011219537_200025704644 [0,2,0,0,0,0|2,0,0]=4 3608 B12R1.57 Cc1ccc(c(c1)N[13CH3])C(=O)N 7a_100011219537_200025704644 [0,2,0,0,0,0|2,0,0]=4 3609 B12R1.57 Cc1ccc(c(c1)O[13CH3])C(=O)N 34a_100000192831_200025704644 [0,2,0,0,0,0|2,0,0]=4 3610 B12R1.57 Cc1ccc(c(c1)O[13CH3])C(=O)N 7a_100000192831_200025704644 [0,2,0,0,0,0|2,0,0]=4 3611 B12R1.57 [13CH3]C(=O)c1ccc(cc1C#N)Br 1458a_100012349539_200025704644 [0,2,0,0,0,0|2,0,0]=4 3612 B12R1.57 [13CH3]C(=O)c1ccc(cc1C#N)F 1458a_100012002388_200025704644 [0,2,0,0,0,0|2,0,0]=4 3613 B12R1.57 [13CH3]C(=O)c1ccc(cc1CO)Br 1458a_100010253900_200025704644 [0,2,0,0,0,0|2,0,0]=4 3614 B12R1.57 [13CH3]C(=O)c1ccc(cc1CO)F 1458a_100013035055_200025704644 [0,2,0,0,0,0|2,0,0]=4 3615 B12R1.57 [13CH3]Nc1cc(ccc1C(=O)N)Br 7a_100012349972_200025704644 [0,2,0,0,0,0|2,0,0]=4 3616 B12R1.57 [13CH3]Nc1cc(ccc1C(=O)N)Cl 34a_100000738103_200025704644 [0,2,0,0,0,0|2,0,0]=4 3617 B12R1.57 [13CH3]Nc1cc(ccc1C(=O)N)Cl 7a_100000738103_200025704644 [0,2,0,0,0,0|2,0,0]=4 3618 B12R1.57 [13CH3]Nc1cc(ccc1C(=O)N)F 34a_100011298637_200025704644 [0,2,0,0,0,0|2,0,0]=4 3619 B12R1.57 [13CH3]Oc1cc(ccc1C(=O)N)Br 34a_100011550861_200025704644 [0,2,0,0,0,0|2,0,0]=4 3620 B12R1.57 [13CH3]Oc1cc(ccc1C(=O)N)Br 7a_100011550861_200025704644 [0,2,0,0,0,0|2,0,0]=4 3621 B12R1.57 [13CH3]Oc1cc(ccc1C(=O)N)Cl 34a_100000192836_200025704644 [0,2,0,0,0,0|2,0,0]=4 3622 B12R1.57 [13CH3]Oc1cc(ccc1C(=O)N)Cl 7a_100000192836_200025704644 [0,2,0,0,0,0|2,0,0]=4 3623 B12R1.57 [13CH3]Oc1cc(ccc1C(=O)N)N 34a_100000223280_200025704644 [0,2,0,0,0,0|2,0,0]=4 3624 B12R1.57 [13CH3]Oc1cc(ccc1C(=O)N)N 7a_100000223280_200025704644 [0,2,0,0,0,0|2,0,0]=4 3625 B12R1.57 [13CH3]Sc1cc(ccc1C(=O)N)Br 62a_100009815748_200025704644 [0,2,0,0,0,0|2,0,0]=4 3626 B12R1.57 [13CH3]Sc1cc(ccc1C(=O)N)F 62a_100000206404_200025704644 [0,2,0,0,0,0|2,0,0]=4 3627 B12R1.57 [13CH3]Sc1cc(ccc1C(=O)N)F 62a_200025704644_100000206404 [0,2,0,0,0,0|2,0,0]=4 3628 B12R1.1000 C=C(C)c1c(cc(cc1C)O)C 271570a_100000694244_100000243743 [0,2,0,0,0,0|2,0,0]=4 3629 B12R1.1000 C=C(C)c1c(cc(cc1F)O)F 271570a_100000694244_100010219129 [0,2,0,0,0,0|2,0,0]=4 3630 B12R1.1000 C=C(C)c1c(cc(cc1O)O)O 271570a_100000694244_200010341185 [0,2,0,0,0,0|2,0,0]=4 3631 B12R1.1000 CC(=O)c1c(cc(cc1Br)Br)Br 1458a_100011217931_200000210301 [0,2,0,0,0,0|2,0,0]=4 3632 B12R1.1000 CC(=O)c1c(cc(cc1Br)Br)F 1458a_100009813784_200000210301 [0,2,0,0,0,0|2,0,0]=4 3633 B12R1.1000 CC(=O)c1c(cc(cc1Br)C)F 1458a_100010768510_200000210301 [0,2,0,0,0,0|2,0,0]=4 3634 B12R1.1000 CC(=O)c1c(cc(cc1Br)Cl)F 1458a_100010244364_200000210301 [0,2,0,0,0,0|2,0,0]=4 3635 B12R1.1000 CC(=O)c1c(cc(cc1Br)F)Br 1458a_200015320377_200000210301 [0,2,0,0,0,0|2,0,0]=4 3636 B12R1.1000 CC(=O)c1c(cc(cc1Br)F)C 1458a_100010204434_200000210301 [0,2,0,0,0,0|2,0,0]=4 3637 B12R1.1000 CC(=O)c1c(cc(cc1Br)F)F 1458a_100013316034_200000210301 [0,2,0,0,0,0|2,0,0]=4 3638 B12R1.1000 CC(=O)c1c(cc(cc1C)Br)C 1458a_100000739581_200000210301 [0,2,0,0,0,0|2,0,0]=4 3639 B12R1.1000 CC(=O)c1c(cc(cc1C)C)C 1458a_100000211658_200000210301 [0,2,0,0,0,0|2,0,0]=4 3640 B12R1.1000 CC(=O)c1c(cc(cc1C)Cl)C 1458a_100000088873_200000210301 [0,2,0,0,0,0|2,0,0]=4 3641 B12R1.1000 CC(=O)c1c(cc(cc1C)F)C 1458a_100012017201_200000210301 [0,2,0,0,0,0|2,0,0]=4 3642 B12R1.1000 CC(=O)c1c(cc(cc1C)O)C 1458a_100000066486_200000210301 [0,2,0,0,0,0|1,0,0]=3 3643 B12R1.1000 CC(=O)c1c(cc(cc1Cl)Br)C 1458a_100000698028_200000210301 [0,2,0,0,0,0|2,0,0]=4 3644 B12R1.1000 CC(=O)c1c(cc(cc1Cl)Br)Cl 1458a_100012360385_200000210301 [0,2,0,0,0,0|2,0,0]=4 3645 B12R1.1000 CC(=O)c1c(cc(cc1Cl)Br)F 1458a_100010078411_200000210301 [0,2,0,0,0,0|2,0,0]=4 3646 B12R1.1000 CC(=O)c1c(cc(cc1Cl)C)Cl 1458a_100009989429_200000210301 [0,2,0,0,0,0|2,0,0]=4 3647 B12R1.1000 CC(=O)c1c(cc(cc1Cl)Cl)Cl 1458a_100011215713_200000210301 [0,2,0,0,0,0|2,0,0]=4 3648 B12R1.1000 CC(=O)c1c(cc(cc1Cl)Cl)F 1458a_100010068318_200000210301 [0,2,0,0,0,0|2,0,0]=4 3649 B12R1.1000 CC(=O)c1c(cc(cc1Cl)F)Cl 1458a_100000703918_200000210301 [0,2,0,0,0,0|2,0,0]=4 3650 B12R1.1000 CC(=O)c1c(cc(cc1Cl)F)F 1458a_100000119028_200000210301 [0,2,0,0,0,0|2,0,0]=4 3651 B12R1.1000 CC(=O)c1c(cc(cc1Cl)I)Cl 1458a_100010740244_200000210301 [0,2,0,0,0,0|2,0,0]=4 3652 B12R1.1000 CC(=O)c1c(cc(cc1Cl)O)Cl 1458a_100010423397_200000210301 [0,2,0,0,0,0|1,0,0]=3 3653 B12R1.1000 CC(=O)c1c(cc(cc1F)Br)C 1458a_100000708665_200000210301 [0,2,0,0,0,0|2,0,0]=4 3654 B12R1.1000 CC(=O)c1c(cc(cc1F)Br)F 1458a_100000766946_200000210301 [0,2,0,0,0,0|2,0,0]=4 3655 B12R1.1000 CC(=O)c1c(cc(cc1F)Br)O 1458a_200015963038_200000210301 [0,2,0,0,0,0|2,0,0]=4 3656 B12R1.1000 CC(=O)c1c(cc(cc1F)C)F 1458a_100009878570_200000210301 [0,2,0,0,0,0|2,0,0]=4 3657 B12R1.1000 CC(=O)c1c(cc(cc1F)Cl)C 1458a_100010768517_200000210301 [0,2,0,0,0,0|2,0,0]=4 3658 B12R1.1000 CC(=O)c1c(cc(cc1F)Cl)F 1458a_100000062413_200000210301 [0,2,0,0,0,0|2,0,0]=4 3659 B12R1.1000 CC(=O)c1c(cc(cc1F)F)F 1458a_100000751013_200000210301 [0,2,0,0,0,0|2,0,0]=4 3660 B12R1.1000 CC(=O)c1c(cc(cc1F)F)O 1458a_100000746385_200000210301 [0,2,0,0,0,0|2,0,0]=4 3661 B12R1.1000 CC(=O)c1c(cc(cc1F)O)F 1458a_100000038755_200000210301 [0,2,0,0,0,0|1,0,0]=3 3662 B12R1.1000 CC(=O)c1c(cc(cc1F)O)F 271570a_203496583355_100012706838 [0,2,0,0,0,0|1,0,0]=3 3663 B12R1.1000 CC(=O)c1c(cc(cc1F)O)O 271570a_203496583355_100010734142 [0,2,0,0,0,0|1,0,0]=3 3664 B12R1.1000 CC(=O)c1c(cc(cc1I)C)I 1458a_200010371430_200000210301 [0,2,0,0,0,0|2,0,0]=4 3665 B12R1.1000 CC(=O)c1c(cc(cc1I)F)C 1458a_200010371433_200000210301 [0,2,0,0,0,0|2,0,0]=4 3666 B12R1.1000 CC(=O)c1c(cc(cc1O)C)C 1458a_100011255216_200000210301 [0,2,0,0,0,0|2,0,0]=4 3667 B12R1.1000 CC(=O)c1c(cc(cc1O)C)O 1458a_100000036929_200000210301 [0,2,0,0,0,0|2,0,0]=4 3668 B12R1.1000 CC(=O)c1c(cc(cc1O)O)C 1458a_200000061528_200000210301 [0,2,0,0,0,0|1,0,0]=3 3669 B12R1.1000 CC(O)c1c(cc(cc1F)O)F 271570a_203496583355_100013396598 [0,2,0,0,0,0|1,0,1]=4 3670 B12R1.1000 Cc1cc(c(c(c1)Br)C(=O)[13CH3])F 1458a_100010768510_200025704644 [0,2,0,0,0,0|2,0,0]=4 3671 B12R1.1000 Cc1cc(c(c(c1)C)C(=O)[13CH3])C 1458a_100000211658_200025704644 [0,2,0,0,0,0|2,0,0]=4 3672 B12R1.1000 Cc1cc(c(c(c1)Cl)C(=O)[13CH3])Cl 1458a_100009989429_200025704644 [0,2,0,0,0,0|2,0,0]=4 3673 B12R1.1000 Cc1cc(c(c(c1)F)C(=O)[13CH3])F 1458a_100009878570_200025704644 [0,2,0,0,0,0|2,0,0]=4 3674 B12R1.1000 Cc1cc(c(c(c1)I)C(=O)[13CH3])I 1458a_200010371430_200025704644 [0,2,0,0,0,0|2,0,0]=4 3675 B12R1.1000 Cc1cc(c(c(c1)O)C(=O)[13CH3])C 1458a_100011255216_200025704644 [0,2,0,0,0,0|2,0,0]=4 3676 B12R1.1000 Cc1cc(c(c(c1)O)C(=O)[13CH3])O 1458a_100000036929_200025704644 [0,2,0,0,0,0|2,0,0]=4 3677 B12R1.1000 Cc1cc(cc(c1B(O)O)C)O 271570a_203496583355_100010171695 [0,2,0,0,0,0|1,0,1]=4 3678 B12R1.1000 Cc1cc(cc(c1C(=O)N)F)O 271570a_203496583355_100016096366 [0,2,0,0,0,0|1,0,0]=3 3679 B12R1.1000 Cc1cc(cc(c1C(=O)[13CH3])Br)F 1458a_100010204434_200025704644 [0,2,0,0,0,0|2,0,0]=4 3680 B12R1.1000 Cc1cc(cc(c1C(=O)[13CH3])C)Br 1458a_100000739581_200025704644 [0,2,0,0,0,0|2,0,0]=4 3681 B12R1.1000 Cc1cc(cc(c1C(=O)[13CH3])C)Cl 1458a_100000088873_200025704644 [0,2,0,0,0,0|2,0,0]=4 3682 B12R1.1000 Cc1cc(cc(c1C(=O)[13CH3])C)F 1458a_100012017201_200025704644 [0,2,0,0,0,0|2,0,0]=4 3683 B12R1.1000 Cc1cc(cc(c1C(=O)[13CH3])C)O 1458a_100000066486_200025704644 [0,2,0,0,0,0|1,0,0]=3 3684 B12R1.1000 Cc1cc(cc(c1C(=O)[13CH3])Cl)Br 1458a_100000698028_200025704644 [0,2,0,0,0,0|2,0,0]=4 3685 B12R1.1000 Cc1cc(cc(c1C(=O)[13CH3])F)Br 1458a_100000708665_200025704644 [0,2,0,0,0,0|2,0,0]=4 3686 B12R1.1000 Cc1cc(cc(c1C(=O)[13CH3])F)Cl 1458a_100010768517_200025704644 [0,2,0,0,0,0|2,0,0]=4 3687 B12R1.1000 Cc1cc(cc(c1C(=O)[13CH3])I)F 1458a_200010371433_200025704644 [0,2,0,0,0,0|2,0,0]=4 3688 B12R1.1000 Cc1cc(cc(c1C(=O)[13CH3])O)O 1458a_200000061528_200025704644 [0,2,0,0,0,0|1,0,0]=3 3689 B12R1.1000 NC(=O)c1c(cc(cc1F)O)F 271570a_203496583355_100000695656 [0,2,0,0,0,0|1,0,0]=3 3690 B12R1.1000 [13CH3]C(=O)c1c(cc(cc1Br)Br)Br 1458a_100011217931_200025704644 [0,2,0,0,0,0|2,0,0]=4 3691 B12R1.1000 [13CH3]C(=O)c1c(cc(cc1Br)Br)F 1458a_100009813784_200025704644 [0,2,0,0,0,0|2,0,0]=4 3692 B12R1.1000 [13CH3]C(=O)c1c(cc(cc1Br)Cl)F 1458a_100010244364_200025704644 [0,2,0,0,0,0|2,0,0]=4 3693 B12R1.1000 [13CH3]C(=O)c1c(cc(cc1Br)F)Br 1458a_200015320377_200025704644 [0,2,0,0,0,0|2,0,0]=4 3694 B12R1.1000 [13CH3]C(=O)c1c(cc(cc1Br)F)F 1458a_100013316034_200025704644 [0,2,0,0,0,0|2,0,0]=4 3695 B12R1.1000 [13CH3]C(=O)c1c(cc(cc1Cl)Br)Cl 1458a_100012360385_200025704644 [0,2,0,0,0,0|2,0,0]=4 3696 B12R1.1000 [13CH3]C(=O)c1c(cc(cc1Cl)Br)F 1458a_100010078411_200025704644 [0,2,0,0,0,0|2,0,0]=4 3697 B12R1.1000 [13CH3]C(=O)c1c(cc(cc1Cl)Cl)Cl 1458a_100011215713_200025704644 [0,2,0,0,0,0|2,0,0]=4 3698 B12R1.1000 [13CH3]C(=O)c1c(cc(cc1Cl)Cl)F 1458a_100010068318_200025704644 [0,2,0,0,0,0|2,0,0]=4 3699 B12R1.1000 [13CH3]C(=O)c1c(cc(cc1Cl)F)Cl 1458a_100000703918_200025704644 [0,2,0,0,0,0|2,0,0]=4 3700 B12R1.1000 [13CH3]C(=O)c1c(cc(cc1Cl)F)F 1458a_100000119028_200025704644 [0,2,0,0,0,0|2,0,0]=4 3701 B12R1.1000 [13CH3]C(=O)c1c(cc(cc1Cl)I)Cl 1458a_100010740244_200025704644 [0,2,0,0,0,0|2,0,0]=4 3702 B12R1.1000 [13CH3]C(=O)c1c(cc(cc1Cl)O)Cl 1458a_100010423397_200025704644 [0,2,0,0,0,0|1,0,0]=3 3703 B12R1.1000 [13CH3]C(=O)c1c(cc(cc1F)Br)F 1458a_100000766946_200025704644 [0,2,0,0,0,0|2,0,0]=4 3704 B12R1.1000 [13CH3]C(=O)c1c(cc(cc1F)Br)O 1458a_200015963038_200025704644 [0,2,0,0,0,0|2,0,0]=4 3705 B12R1.1000 [13CH3]C(=O)c1c(cc(cc1F)Cl)F 1458a_100000062413_200025704644 [0,2,0,0,0,0|2,0,0]=4 3706 B12R1.1000 [13CH3]C(=O)c1c(cc(cc1F)F)F 1458a_100000751013_200025704644 [0,2,0,0,0,0|2,0,0]=4 3707 B12R1.1000 [13CH3]C(=O)c1c(cc(cc1F)F)O 1458a_100000746385_200025704644 [0,2,0,0,0,0|2,0,0]=4 3708 B12R1.1000 [13CH3]C(=O)c1c(cc(cc1F)O)F 1458a_100000038755_200025704644 [0,2,0,0,0,0|1,0,0]=3 3709 B10R2.31 Oc1ccc2c(c1)CC2 271570a_203496583355_100009818592 [1,0,0,1,0,0|1,0,1]=4 3710 B12R2.606 Cc1cc2cc(ccc2[nH]1)O 271570a_203496583355_100011214893 [0,0,0,1,0,1|2,0,0]=4 3711 B12R2.606 Cc1cc2cc(ccc2s1)O 271570a_203496583355_100000695401 [0,0,0,1,0,1|2,0,0]=4 3712 B12R2.606 Cc1cc2ccc(cc2[nH]1)O 271570a_203496583355_100010196937 [0,0,0,1,0,1|2,0,0]=4 3713 B12R2.606 Cc1ccc2nc(sc2c1)O 271570a_203496583355_100010186437 [0,0,0,1,0,1|1,1,0]=4 3714 B12R2.606 Cc1nc2cc(ccc2[nH]1)O 271570a_203496583355_100011264012 [0,0,0,1,0,1|2,0,0]=4 3715 B12R2.606 Cc1nc2cc(ccc2o1)O 271570a_203496583355_100009816932 [0,0,0,1,0,1|2,0,0]=4 3716 B12R2.606 Cc1nc2cc(ccc2s1)O 271570a_203496583355_100009813953 [0,0,0,1,0,1|2,0,0]=4 3717 B12R2.606 Cc1nc2ccc(cc2o1)O 271570a_203496583355_100010171164 [0,0,0,1,0,1|1,0,0]=3 3718 B12R2.606 Cc1nc2ccc(cc2s1)O 271570a_203496583355_100009813144 [0,0,0,1,0,1|1,1,0]=4 3719 B12R2.606 Cc1nc2ncc(cc2o1)O 271570a_203496583355_100010235748 [0,0,0,1,0,1|2,0,0]=4 3720 B12R2.606 Nc1ccc2nc(sc2c1)O 271570a_203496583355_100010253933 [0,0,0,1,0,1|1,1,0]=4 3721 B12R2.606 Nc1ccc2sc(nc2c1)O 271570a_203496583355_100010329861 [0,0,0,1,0,1|2,0,0]=4 3722 B12R2.606 Nc1nc2cc(ccc2[nH]1)O 271570a_203496583355_100000764686 [0,0,0,1,0,1|2,0,0]=4 3723 B12R2.606 Nc1nc2cc(ccc2o1)O 271570a_203496583355_100000737949 [0,0,0,1,0,1|2,0,0]=4 3724 B12R2.606 Nc1nc2cc(ccc2s1)O 271570a_203496583355_100011934045 [0,0,0,1,0,1|2,0,0]=4 3725 B12R2.606 Nc1nc2ccc(cc2o1)O 271570a_203496583355_100010000678 [0,0,0,1,0,1|1,0,0]=3 3726 B12R2.606 Nc1nc2ccc(cc2s1)O 271570a_203496583355_100102524914 [0,0,0,1,0,1|1,1,0]=4 3727 B12R2.606 O=C1Cc2cc(ccc2N1)O 271570a_203496583355_100000754858 [0,0,0,1,0,1|1,0,0]=3 3728 B12R2.606 O=C1Cc2cc(cnc2N1)O 271570a_203496583355_100010177629 [0,0,0,1,0,1|2,0,0]=4 3729 B12R2.606 O=C1Cc2cc(ncc2N1)O 271570a_203496583355_100000104063 [0,0,0,1,0,1|2,0,0]=4 3730 B12R2.606 O=C1Cc2ccc(cc2C1)O 271570a_203496583355_100010185598 [0,0,0,1,0,1|1,0,0]=3 3731 B12R2.606 O=C1Cc2ccc(cc2N1)O 271570a_203496583355_100000760487 [0,0,0,1,0,1|1,0,0]=3 3732 B12R2.606 O=C1Cc2ccc(nc2N1)O 271570a_203496583355_100000104062 [0,0,0,1,0,1|2,0,0]=4 3733 B12R2.606 O=C1Cc2cnc(cc2N1)O 271570a_203496583355_100000089690 [0,0,0,1,0,1|2,0,0]=4 3734 B12R2.606 O=C1Cc2nc(ccc2N1)O 271570a_203496583355_100000087150 [0,0,0,1,0,1|2,0,0]=4 3735 B12R2.606 O=C1Cc2ncc(cc2N1)O 271570a_203496583355_100010168558 [0,0,0,1,0,1|2,0,0]=4 3736 B12R2.606 O=c1[nH]c2cc(ccc2o1)O 271570a_203496583355_100000764829 [0,0,0,1,0,1|1,0,0]=3 3737 B12R2.606 O=c1[nH]c2cc(ccc2s1)O 271570a_203496583355_100000239354 [0,0,0,1,0,1|1,0,0]=3 3738 B12R2.606 O=c1[nH]c2ccc(cc2[nH]1)O 271570a_203496583355_100011221360 [0,0,0,1,0,1|1,0,0]=3 3739 B12R2.606 O=c1[nH]c2ccc(cc2o1)O 271570a_203496583355_100000697996 [0,0,0,1,0,1|0,0,0]=2 3740 B12R2.606 O=c1[nH]c2ccc(cc2s1)O 271570a_203496583355_100009813980 [0,0,0,1,0,1|0,1,0]=3 3741 B12R2.606 O=c1[nH]c2ccc(nc2[nH]1)O 271570a_203496583355_100000084209 [0,0,0,1,0,1|2,0,0]=4 3742 B12R2.606 O=c1[nH]c2ncc(cc2o1)O 271570a_203496583355_100000721845 [0,0,0,1,0,1|1,0,0]=3 3743 B12R2.606 Oc1cc2[nH]c(nc2cn1)O 271570a_203496583355_100010516660 [0,0,0,1,0,1|2,0,0]=4 3744 B12R2.606 Oc1cc2cc(ccc2[nH]1)Br 271570a_203496583355_100011012855 [0,0,0,1,0,1|2,0,0]=4 3745 B12R2.606 Oc1cc2cc(ccc2s1)Br 271570a_203496583355_200010198765 [0,0,0,1,0,1|2,0,0]=4 3746 B12R2.606 Oc1ccc2c(c1)CC(C2)O 271570a_203496583355_100010161096 [0,0,0,1,0,1|1,0,1]=4 3747 B12R2.606 Oc1ccc2nc(sc2c1)Cl 271570a_203496583355_100010163703 [0,0,0,1,0,1|1,1,0]=4 3748 B12R2.606 Oc1ccc2nc(sc2c1)O 271570a_203496583355_100010063415 [0,0,0,1,0,1|0,1,0]=3 3749 B12R2.606 Oc1cnc2[nH]c(nc2c1)O 271570a_203496583355_100000755142 [0,0,0,1,0,1|2,0,0]=4 3750 B12R2.606 Oc1nc2cc(ccc2s1)F 271570a_203496583355_200010206605 [0,0,0,1,0,1|2,0,0]=4 3751 B12R2.606 Oc1nc2ccc(cc2s1)F 271570a_203496583355_100000751617 [0,0,0,1,0,1|1,1,0]=4 3752 B12R2.1384 CC(=O)c1ccc2c(c1)CC2 1458a_100000137882_200000210301 [0,1,0,1,0,0|2,0,0]=4 3753 B12R2.1384 [13CH3]C(=O)c1ccc2c(c1)CC2 1458a_100000137882_200025704644 [0,1,0,1,0,0|2,0,0]=4 3754 B12R2.612 Cc1c[nH]c2c1ccc(c2)O 271570a_203496583355_100010209589 [0,1,0,1,0,0|2,0,0]=4 3755 B12R2.612 Cc1ccc2c(n[nH]c2c1)O 271570a_203496583355_100000049534 [0,1,0,1,0,0|2,0,0]=4 3756 B12R2.612 Cc1coc2c1ccc(c2)O 271570a_203496583355_100010775837 [0,1,0,1,0,0|1,0,0]=3 3757 B12R2.612 Cc1n[nH]c2c1ccc(c2)O 271570a_203496583355_100009816850 [0,1,0,1,0,0|2,0,0]=4 3758 B12R2.612 Cc1noc2c1ccc(c2)O 271570a_203496583355_100009815287 [0,1,0,1,0,0|1,0,0]=3 3759 B12R2.612 NC1COc2c1ccc(c2)O 271570a_203496583355_100020628175 [0,1,0,1,0,0|1,0,1]=4 3760 B12R2.612 Nc1ccc2c(n[nH]c2c1)O 271570a_203496583355_100009816878 [0,1,0,1,0,0|2,0,0]=4 3761 B12R2.612 Nc1n[nH]c2c1ccc(c2)O 271570a_203496583355_100011934401 [0,1,0,1,0,0|2,0,0]=4 3762 B12R2.612 Nc1noc2c1ccc(c2)O 271570a_203496583355_100012356334 [0,1,0,1,0,0|1,0,0]=3 3763 B12R2.612 O=C1C=Cc2c1ccc(c2)O 271570a_203496583355_100010210589 [0,1,0,1,0,0|1,0,0]=3 3764 B12R2.612 O=C1CCc2c1ccc(c2)O 271570a_203496583355_100000737041 [0,1,0,1,0,0|1,0,0]=3 3765 B12R2.612 O=C1COc2c1ccc(c2)O 271570a_203496583355_100000686717 [0,1,0,1,0,0|0,0,0]=2 3766 B12R2.612 O=C1NCc2c1ccc(c2)O 271570a_203496583355_100000692135 [0,1,0,1,0,0|1,0,0]=3 3767 B12R2.612 O=C1NCc2c1ccc(n2)O 271570a_203496583355_200009864240 [0,1,0,1,0,0|2,0,0]=4 3768 B12R2.612 O=C1OCc2c1ccc(c2)O 271570a_203496583355_100009816608 [0,1,0,1,0,0|0,0,0]=2 3769 B12R2.612 O=c1[nH][nH]c2c1ccc(c2)O 271570a_203496583355_100012353722 [0,1,0,1,0,0|1,0,0]=3 3770 B12R2.612 O=c1[nH][nH]c2c1cnc(c2)O 271570a_203496583355_100016039622 [0,1,0,1,0,0|2,0,0]=4 3771 B12R2.612 Oc1ccc2c(c1)CCC2O 271570a_203496583355_100000747877 [0,1,0,1,0,0|1,0,1]=4 3772 B12R2.612 Oc1ccc2c(noc2c1)O 271570a_203496583355_100000727085 [0,1,0,1,0,0|0,0,1]=3 3773 B12R2.612 Oc1n[nH]c2c1ccc(c2)Br 271570a_203496583355_100010186045 [0,1,0,1,0,0|2,0,0]=4 3774 B12R2.612 Oc1n[nH]c2c1ccc(c2)Cl 271570a_203496583355_100000049627 [0,1,0,1,0,0|2,0,0]=4 3775 B12R2.612 Oc1n[nH]c2c1ccc(c2)F 271570a_203496583355_100000049990 [0,1,0,1,0,0|2,0,0]=4 3776 B12R2.2302 Oc1ccc(cc1)C2COC2 271570a_203496583355_100010732642 [0,1,0,1,0,0|1,0,1]=4 3777 B8R1.1 O=Cc1c[nH]c(c1)O 271570a_203496583355_100009882863 [1,0,0,0,1,0|1,0,0]=3 3778 B8R1.1 O=Cc1cc(co1)O 271570a_203496583355_100000747035 [1,0,0,0,1,0|1,0,0]=3 3779 B8R1.1 O=Cc1cc(cs1)O 271570a_203496583355_100000211722 [1,0,0,0,1,0|1,0,0]=3 3780 B8R1.1 O=Cc1ccc(o1)O 271570a_203496583355_100000185145 [1,0,0,0,1,0|1,0,0]=3 3781 B8R1.1 O=Cc1ccc(s1)O 271570a_203496583355_100000179771 [1,0,0,0,1,0|1,0,0]=3 3782 B8R1.1 O=Cc1cnc(s1)O 271570a_203496583355_100009814069 [1,0,0,0,1,0|2,0,0]=4 3783 B8R1.1 O=Cc1csc(c1)O 271570a_203496583355_100000737087 [1,0,0,0,1,0|1,0,0]=3 3784 B8R1.1 O=Cc1csc(n1)O 271570a_203496583355_100009816748 [1,0,0,0,1,0|2,0,0]=4 3785 B8R1.1 O=Cc1nc(cs1)O 271570a_203496583355_100009816814 [1,0,0,0,1,0|2,0,0]=4 3786 B8R1.1 O=Cc1ncc(s1)O 271570a_203496583355_100000699580 [1,0,0,0,1,0|2,0,0]=4 3787 B8R1.1 OCc1cc(cs1)O 271570a_203496583355_100000238369 [1,0,0,0,1,0|1,0,1]=4 3788 B8R1.1 OCc1ccc(o1)O 271570a_203496583355_100000246276 [1,0,0,0,1,0|1,0,1]=4 3789 B8R1.1 OCc1ccc(s1)O 271570a_203496583355_100000246291 [1,0,0,0,1,0|1,0,1]=4 3790 B10R1.18 CC(=Cc1ccccc1)C 271570a_100102525489_100000210277 [1,0,0,0,0,1|2,0,0]=4 3791 B10R1.18 CC(=O)C[n+]1ccccc1 1458a_200000086051_200000210301 [1,0,0,0,0,1|2,0,0]=4 3792 B10R1.18 CC(=O)Cc1ccccc1 1458a_100000070787_100015291786 [1,0,0,0,0,1|1,0,0]=3 3793 B10R1.18 CC(=O)Cc1ccccn1 1458a_100000070787_100000721315 [1,0,0,0,0,1|2,0,0]=4 3794 B10R1.18 CC(=O)Cc1ccccn1 1458a_100000233486_200000210301 [1,0,0,0,0,1|2,0,0]=4 3795 B10R1.18 CC(=O)Cc1cccnc1 1458a_100000070787_100000733263 [1,0,0,0,0,1|2,0,0]=4 3796 B10R1.18 CC(=O)Cc1cccnc1 1458a_100000737805_200000210301 [1,0,0,0,0,1|2,0,0]=4 3797 B10R1.18 CC(=O)Cc1ccncc1 1458a_100000070787_100000705612 [1,0,0,0,0,1|2,0,0]=4 3798 B10R1.18 CC(=O)Nc1ccccc1 11a_100000106764_100015343762 [1,0,0,0,0,1|1,0,0]=3 3799 B10R1.18 CC(=O)Nc1ccccc1 1626a_100000106764_100015343762 [1,0,0,0,0,1|1,0,0]=3 3800 B10R1.18 CC(=O)Nc1ccccc1 22a_100000106764_100000070787 [1,0,0,0,0,1|1,0,0]=3 3801 B10R1.18 CC(=O)Nc1ccccc1 527a_100000106764_100103153847 [1,0,0,0,0,1|1,0,0]=3 3802 B10R1.18 [13CH3]C(=O)C[n+]1ccccc1 1458a_200000086051_200025704644 [1,0,0,0,0,1|2,0,0]=4 3803 B10R1.18 [13CH3]C(=O)Cc1ccccn1 1458a_100000233486_200025704644 [1,0,0,0,0,1|2,0,0]=4 3804 B10R1.18 [13CH3]C(=O)Cc1cccnc1 1458a_100000737805_200025704644 [1,0,0,0,0,1|2,0,0]=4 3805 B12R1.21 C=C(C)CNc1ccc(cc1)O 34a_100000185829_100000748629 [0,0,0,0,0,2|2,0,0]=4 3806 B12R1.21 C=C(C)CSc1ccc(cc1)O 62a_100000748629_100000185759 [0,0,0,0,0,2|2,0,0]=4 3807 B12R1.21 C=C(F)CNc1ccc(cc1)O 34a_100000185829_100009893438 [0,0,0,0,0,2|2,0,0]=4 3808 B12R1.21 C=C(F)CSc1ccc(cc1)O 62a_100000042424_100000185759 [0,0,0,0,0,2|2,0,0]=4 3809 B12R1.21 CC(=O)/C=C/c1ccc(cc1)O 271570a_203496583355_200016259395 [0,0,0,0,0,2|1,0,0]=3 3810 B12R1.21 CC(=O)C#Cc1ccc(cc1)Br 1458a_100012100275_200000210301 [0,0,0,0,0,2|2,0,0]=4 3811 B12R1.21 CC(=O)C#Cc1ccc(cc1)Cl 1458a_100011892723_200000210301 [0,0,0,0,0,2|2,0,0]=4 3812 B12R1.21 CC(=O)C#Cc1ccc(cc1)F 1458a_100000238512_200000210301 [0,0,0,0,0,2|2,0,0]=4 3813 B12R1.21 CC(=O)C=Cc1ccc(cc1)Br 1458a_100016267368_200000210301 [0,0,0,0,0,2|2,0,0]=4 3814 B12R1.21 CC(=O)C=Cc1ccc(cc1)C 1458a_100000716854_200000210301 [0,0,0,0,0,2|2,0,0]=4 3815 B12R1.21 CC(=O)C=Cc1ccc(cc1)Cl 1458a_100000184863_200000210301 [0,0,0,0,0,2|2,0,0]=4 3816 B12R1.21 CC(=O)C=Cc1ccc(cc1)F 1458a_100000182136_200000210301 [0,0,0,0,0,2|2,0,0]=4 3817 B12R1.21 CC(=O)C=Cc1ccc(cc1)I 1458a_100102526154_200000210301 [0,0,0,0,0,2|2,0,0]=4 3818 B12R1.21 CC(=O)CCc1ccc(cc1)Br 1458a_100000070787_100011740612 [0,0,0,0,0,2|2,0,0]=4 3819 B12R1.21 CC(=O)CCc1ccc(cc1)Br 1458a_100000217147_200000210301 [0,0,0,0,0,2|2,0,0]=4 3820 B12R1.21 CC(=O)CCc1ccc(cc1)C 1458a_100000070787_100011713686 [0,0,0,0,0,2|2,0,0]=4 3821 B12R1.21 CC(=O)CCc1ccc(cc1)C 1458a_100000234883_200000210301 [0,0,0,0,0,2|2,0,0]=4 3822 B12R1.21 CC(=O)CCc1ccc(cc1)Cl 1458a_100000070787_100011713675 [0,0,0,0,0,2|2,0,0]=4 3823 B12R1.21 CC(=O)CCc1ccc(cc1)Cl 1458a_100000235379_200000210301 [0,0,0,0,0,2|2,0,0]=4 3824 B12R1.21 CC(=O)CCc1ccc(cc1)F 1458a_100000070787_100011217392 [0,0,0,0,0,2|2,0,0]=4 3825 B12R1.21 CC(=O)CCc1ccc(cc1)F 1458a_100000198493_200000210301 [0,0,0,0,0,2|2,0,0]=4 3826 B12R1.21 CC(=O)CCc1ccc(cc1)I 1458a_100011217499_200000210301 [0,0,0,0,0,2|2,0,0]=4 3827 B12R1.21 CC(=O)CCc1ccc(cc1)O 1458a_100000070787_100009816426 [0,0,0,0,0,2|1,0,0]=3 3828 B12R1.21 CC(=O)CCc1ccc(cc1)O 1458a_100000742835_200000210301 [0,0,0,0,0,2|1,0,0]=3 3829 B12R1.21 CC(=O)CCc1ccc(cc1)O 271570a_203496583355_100000723691 [0,0,0,0,0,2|1,0,0]=3 3830 B12R1.21 CC(=O)COc1ccc(cc1)Br 1458a_100000182358_200000210301 [0,0,0,0,0,2|2,0,0]=4 3831 B12R1.21 CC(=O)COc1ccc(cc1)C 1458a_100000182360_200000210301 [0,0,0,0,0,2|2,0,0]=4 3832 B12R1.21 CC(=O)COc1ccc(cc1)Cl 1458a_100016990877_200000210301 [0,0,0,0,0,2|2,0,0]=4 3833 B12R1.21 CC(=O)COc1ccc(cc1)F 1458a_100000184765_200000210301 [0,0,0,0,0,2|2,0,0]=4 3834 B12R1.21 CC(=O)COc1ccc(cc1)I 1458a_100000184369_200000210301 [0,0,0,0,0,2|2,0,0]=4 3835 B12R1.21 CC(=O)COc1ccc(cc1)O 1458a_100000031633_200000210301 [0,0,0,0,0,2|1,0,0]=3 3836 B12R1.21 CC(=O)CSc1ccc(cc1)Br 1458a_100000179496_200000210301 [0,0,0,0,0,2|2,0,0]=4 3837 B12R1.21 CC(=O)CSc1ccc(cc1)C 1458a_100000179497_200000210301 [0,0,0,0,0,2|2,0,0]=4 3838 B12R1.21 CC(=O)CSc1ccc(cc1)Cl 1458a_100000178402_200000210301 [0,0,0,0,0,2|2,0,0]=4 3839 B12R1.21 CC(=O)CSc1ccc(cc1)F 1458a_100000691584_200000210301 [0,0,0,0,0,2|2,0,0]=4 3840 B12R1.21 CC(=O)NCc1ccc(cc1)Br 11a_100000174875_100015343762 [0,0,0,0,0,2|2,0,0]=4 3841 B12R1.21 CC(=O)NCc1ccc(cc1)Br 1626a_100000174875_100015343762 [0,0,0,0,0,2|2,0,0]=4 3842 B12R1.21 CC(=O)NCc1ccc(cc1)Br 240690a_100000174875_100015343762 [0,0,0,0,0,2|2,0,0]=4 3843 B12R1.21 CC(=O)NCc1ccc(cc1)Br 527a_100000174875_100103153847 [0,0,0,0,0,2|2,0,0]=4 3844 B12R1.21 CC(=O)NCc1ccc(cc1)C 11a_100000174908_100015343762 [0,0,0,0,0,2|2,0,0]=4 3845 B12R1.21 CC(=O)NCc1ccc(cc1)C 1626a_100000174908_100015343762 [0,0,0,0,0,2|2,0,0]=4 3846 B12R1.21 CC(=O)NCc1ccc(cc1)C 240690a_100000174908_100015343762 [0,0,0,0,0,2|2,0,0]=4 3847 B12R1.21 CC(=O)NCc1ccc(cc1)C 527a_100000174908_100103153847 [0,0,0,0,0,2|2,0,0]=4 3848 B12R1.21 CC(=O)NCc1ccc(cc1)Cl 11a_100000174871_100015343762 [0,0,0,0,0,2|2,0,0]=4 3849 B12R1.21 CC(=O)NCc1ccc(cc1)Cl 1626a_100000174871_100015343762 [0,0,0,0,0,2|2,0,0]=4 3850 B12R1.21 CC(=O)NCc1ccc(cc1)Cl 240690a_100000174871_100015343762 [0,0,0,0,0,2|2,0,0]=4 3851 B12R1.21 CC(=O)NCc1ccc(cc1)Cl 527a_100000174871_100103153847 [0,0,0,0,0,2|2,0,0]=4 3852 B12R1.21 CC(=O)NCc1ccc(cc1)F 11a_100000174882_100015343762 [0,0,0,0,0,2|2,0,0]=4 3853 B12R1.21 CC(=O)NCc1ccc(cc1)F 1626a_100000174882_100015343762 [0,0,0,0,0,2|2,0,0]=4 3854 B12R1.21 CC(=O)NCc1ccc(cc1)F 240690a_100000174882_100015343762 [0,0,0,0,0,2|2,0,0]=4 3855 B12R1.21 CC(=O)NCc1ccc(cc1)F 527a_100000174882_100103153847 [0,0,0,0,0,2|2,0,0]=4 3856 B12R1.21 CC(=O)NCc1ccc(cc1)I 11a_100016989417_100015343762 [0,0,0,0,0,2|2,0,0]=4 3857 B12R1.21 CC(=O)NCc1ccc(cc1)I 1626a_100016989417_100015343762 [0,0,0,0,0,2|2,0,0]=4 3858 B12R1.21 CC(=O)NCc1ccc(cc1)I 240690a_100016989417_100015343762 [0,0,0,0,0,2|2,0,0]=4 3859 B12R1.21 CC(=O)NCc1ccc(cc1)I 527a_100016989417_100103153847 [0,0,0,0,0,2|2,0,0]=4 3860 B12R1.21 CC(=O)NCc1ccc(cc1)O 240690a_100000185549_100015343762 [0,0,0,0,0,2|1,0,0]=3 3861 B12R1.21 CC(=O)NCc1ccc(cc1)O 271570a_203496583355_200000685173 [0,0,0,0,0,2|1,0,0]=3 3862 B12R1.21 CC(=O)NCc1ccc(cc1)O 527a_100000185549_100103153847 [0,0,0,0,0,2|1,0,0]=3 3863 B12R1.21 CC(=O)NCc1ccc(cn1)O 240690a_100020605196_100015343762 [0,0,0,0,0,2|2,0,0]=4 3864 B12R1.21 CC(=O)NCc1ccc(nc1)O 11a_100000757128_100015343762 [0,0,0,0,0,2|2,0,0]=4 3865 B12R1.21 CC(=O)NCc1ccc(nc1)O 240690a_100000757128_100015343762 [0,0,0,0,0,2|2,0,0]=4 3866 B12R1.21 CC(=O)NNc1ccc(cc1)Br 22a_100000735608_100000070787 [0,0,0,0,0,2|2,0,0]=4 3867 B12R1.21 CC(=O)NNc1ccc(cc1)C 22a_100000683527_100000070787 [0,0,0,0,0,2|2,0,0]=4 3868 B12R1.21 CC(=O)NNc1ccc(cc1)Cl 22a_100000683521_100000070787 [0,0,0,0,0,2|2,0,0]=4 3869 B12R1.21 CC(=O)NNc1ccc(cc1)F 22a_100000728448_100000070787 [0,0,0,0,0,2|2,0,0]=4 3870 B12R1.21 CC(=O)NNc1ccc(cc1)I 22a_100016988836_100000070787 [0,0,0,0,0,2|2,0,0]=4 3871 B12R1.21 CC(=O)NNc1ccc(cc1)O 271570a_203496583355_200009815283 [0,0,0,0,0,2|1,0,0]=3 3872 B12R1.21 CC(=O)NNc1ccc(cn1)O 271570a_203496583355_200010175596 [0,0,0,0,0,2|2,0,0]=4 3873 B12R1.21 CC(O)C=Cc1ccc(cc1)O 271570a_200011019289_100000185759 [0,0,0,0,0,2|1,0,1]=4 3874 B12R1.21 CC(O)CNc1ccc(cc1)O 34a_100000185829_100011218427 [0,0,0,0,0,2|1,0,1]=4 3875 B12R1.21 CC(O)CSc1ccc(cc1)O 62a_100011218427_100000185759 [0,0,0,0,0,2|1,0,1]=4 3876 B12R1.21 C[C@@H](O)CNc1ccc(cc1)O 34a_100000185829_100009817552 [0,0,0,0,0,2|1,0,1]=4 3877 B12R1.21 C[C@@H](O)CSc1ccc(cc1)O 62a_100009817552_100000185759 [0,0,0,0,0,2|1,0,1]=4 3878 B12R1.21 Cc1ccc(cc1)C=CC(=O)[13CH3] 1458a_100000716854_200025704644 [0,0,0,0,0,2|2,0,0]=4 3879 B12R1.21 Cc1ccc(cc1)CCC(=O)[13CH3] 1458a_100000234883_200025704644 [0,0,0,0,0,2|2,0,0]=4 3880 B12R1.21 Cc1ccc(cc1)NCC(=O)N 34a_100000124888_100000187820 [0,0,0,0,0,2|2,0,0]=4 3881 B12R1.21 Cc1ccc(cc1)NCC(=O)[O-] 34a_100000124888_100020667443 [0,0,0,0,0,2|1,0,1]=4 3882 B12R1.21 Cc1ccc(cc1)OCC(=O)N 34a_100000210336_100000187820 [0,0,0,0,0,2|2,0,0]=4 3883 B12R1.21 Cc1ccc(cc1)OCC(=O)N 7a_100000210336_100000187820 [0,0,0,0,0,2|2,0,0]=4 3884 B12R1.21 Cc1ccc(cc1)OCC(=O)[13CH3] 1458a_100000182360_200025704644 [0,0,0,0,0,2|2,0,0]=4 3885 B12R1.21 Cc1ccc(cc1)OCC(=O)[O-] 34a_100000210336_100020667443 [0,0,0,0,0,2|1,0,1]=4 3886 B12R1.21 Cc1ccc(cc1)SCC(=O)N 62a_100000186775_100000747473 [0,0,0,0,0,2|2,0,0]=4 3887 B12R1.21 Cc1ccc(cc1)SCC(=O)N 62a_100000747473_100000186775 [0,0,0,0,0,2|2,0,0]=4 3888 B12R1.21 Cc1ccc(cc1)SCC(=O)[13CH3] 1458a_100000179497_200025704644 [0,0,0,0,0,2|2,0,0]=4 3889 B12R1.21 Cc1ccc(cc1)SCC(=O)[O-] 62a_100000186775_100020667443 [0,0,0,0,0,2|1,0,1]=4 3890 B12R1.21 Cc1ccc(cc1)SCC(=O)[O-] 62a_100020667443_100000186775 [0,0,0,0,0,2|1,0,1]=4 3891 B12R1.21 NC(=O)CCc1ccc(cc1)O 271570a_203496583355_200010110666 [0,0,0,0,0,2|1,0,0]=3 3892 B12R1.21 NC(=O)CNc1ccc(cc1)Br 2230a_100000210018_100000747473 [0,0,0,0,0,2|2,0,0]=4 3893 B12R1.21 NC(=O)CNc1ccc(cc1)Br 34a_100000210018_100000187820 [0,0,0,0,0,2|2,0,0]=4 3894 B12R1.21 NC(=O)CNc1ccc(cc1)Cl 2230a_100000210052_100000747473 [0,0,0,0,0,2|2,0,0]=4 3895 B12R1.21 NC(=O)CNc1ccc(cc1)Cl 34a_100000210052_100000187820 [0,0,0,0,0,2|2,0,0]=4 3896 B12R1.21 NC(=O)CNc1ccc(cc1)F 34a_100000185862_100000187820 [0,0,0,0,0,2|2,0,0]=4 3897 B12R1.21 NC(=O)CNc1ccc(cc1)I 34a_100000185761_100000187820 [0,0,0,0,0,2|2,0,0]=4 3898 B12R1.21 NC(=O)CNc1ccc(cc1)O 34a_100000185829_100000187820 [0,0,0,0,0,2|1,0,0]=3 3899 B12R1.21 NC(=O)COc1ccc(cc1)Br 34a_100000185759_100000187820 [0,0,0,0,0,2|2,0,0]=4 3900 B12R1.21 NC(=O)COc1ccc(cc1)Br 7a_100000185759_100000187820 [0,0,0,0,0,2|2,0,0]=4 3901 B12R1.21 NC(=O)COc1ccc(cc1)Cl 34a_100000210216_100000187820 [0,0,0,0,0,2|2,0,0]=4 3902 B12R1.21 NC(=O)COc1ccc(cc1)Cl 7a_100000210216_100000187820 [0,0,0,0,0,2|2,0,0]=4 3903 B12R1.21 NC(=O)COc1ccc(cc1)F 34a_100000210339_100000187820 [0,0,0,0,0,2|2,0,0]=4 3904 B12R1.21 NC(=O)COc1ccc(cc1)I 34a_100000212066_100000187820 [0,0,0,0,0,2|2,0,0]=4 3905 B12R1.21 NC(=O)COc1ccc(cc1)I 7a_100000212066_100000187820 [0,0,0,0,0,2|2,0,0]=4 3906 B12R1.21 NC(=O)COc1ccc(cc1)N 34a_100000185829_100000187820 [0,0,0,0,0,2|2,0,0]=4 3907 B12R1.21 NC(=O)CSc1ccc(cc1)Br 62a_100000747473_100000752885 [0,0,0,0,0,2|2,0,0]=4 3908 B12R1.21 NC(=O)CSc1ccc(cc1)Br 62a_100000752885_100000747473 [0,0,0,0,0,2|2,0,0]=4 3909 B12R1.21 NC(=O)CSc1ccc(cc1)Cl 62a_100000747473_100000755918 [0,0,0,0,0,2|2,0,0]=4 3910 B12R1.21 NC(=O)CSc1ccc(cc1)Cl 62a_100000755918_100000747473 [0,0,0,0,0,2|2,0,0]=4 3911 B12R1.21 NC(=O)CSc1ccc(cc1)F 62a_100000211213_100000747473 [0,0,0,0,0,2|2,0,0]=4 3912 B12R1.21 NC(=O)CSc1ccc(cc1)F 62a_100000747473_100000211213 [0,0,0,0,0,2|2,0,0]=4 3913 B12R1.21 NC(=O)CSc1ccc(cc1)N 62a_100000185761_100000747473 [0,0,0,0,0,2|2,0,0]=4 3914 B12R1.21 NC(=O)CSc1ccc(cc1)N 62a_100000747473_100000185761 [0,0,0,0,0,2|2,0,0]=4 3915 B12R1.21 NC(=O)CSc1ccc(cc1)O 271570a_203496583355_100000149456 [0,0,0,0,0,2|1,0,0]=3 3916 B12R1.21 NC(=O)CSc1ccc(cc1)O 62a_100000747473_100000185759 [0,0,0,0,0,2|1,0,0]=3 3917 B12R1.21 NC(=O)CSc1ccc(cn1)O 62a_100000685995_100000747473 [0,0,0,0,0,2|2,0,0]=4 3918 B12R1.21 NC(=O)CSc1ccc(cn1)O 62a_100000747473_100000744096 [0,0,0,0,0,2|2,0,0]=4 3919 B12R1.21 Nc1ccc(cc1)OCC(=O)[O-] 34a_100000185829_100020667443 [0,0,0,0,0,2|1,0,1]=4 3920 B12R1.21 Nc1ccc(cc1)SCC(=O)[O-] 62a_100000185761_100020667443 [0,0,0,0,0,2|1,0,1]=4 3921 B12R1.21 Nc1ccc(cc1)SCC(=O)[O-] 62a_100020667443_100000185761 [0,0,0,0,0,2|1,0,1]=4 3922 B12R1.21 O=C([O-])CNc1ccc(cc1)Br 34a_100000210018_100020667443 [0,0,0,0,0,2|1,0,1]=4 3923 B12R1.21 O=C([O-])CNc1ccc(cc1)Cl 34a_100000210052_100020667443 [0,0,0,0,0,2|1,0,1]=4 3924 B12R1.21 O=C([O-])CNc1ccc(cc1)F 34a_100000185862_100020667443 [0,0,0,0,0,2|1,0,1]=4 3925 B12R1.21 O=C([O-])CNc1ccc(cc1)I 34a_100000185761_100020667443 [0,0,0,0,0,2|1,0,1]=4 3926 B12R1.21 O=C([O-])CNc1ccc(cc1)O 34a_100000185829_100020667443 [0,0,0,0,0,2|0,0,1]=3 3927 B12R1.21 O=C([O-])COc1ccc(cc1)Br 34a_100000185759_100020667443 [0,0,0,0,0,2|1,0,1]=4 3928 B12R1.21 O=C([O-])COc1ccc(cc1)Cl 34a_100000210216_100020667443 [0,0,0,0,0,2|1,0,1]=4 3929 B12R1.21 O=C([O-])COc1ccc(cc1)F 34a_100000210339_100020667443 [0,0,0,0,0,2|1,0,1]=4 3930 B12R1.21 O=C([O-])COc1ccc(cc1)I 34a_100000212066_100020667443 [0,0,0,0,0,2|1,0,1]=4 3931 B12R1.21 O=C([O-])CSc1ccc(cc1)Br 62a_100000752885_100020667443 [0,0,0,0,0,2|1,0,1]=4 3932 B12R1.21 O=C([O-])CSc1ccc(cc1)Br 62a_100020667443_100000752885 [0,0,0,0,0,2|1,0,1]=4 3933 B12R1.21 O=C([O-])CSc1ccc(cc1)Cl 62a_100000755918_100020667443 [0,0,0,0,0,2|1,0,1]=4 3934 B12R1.21 O=C([O-])CSc1ccc(cc1)Cl 62a_100020667443_100000755918 [0,0,0,0,0,2|1,0,1]=4 3935 B12R1.21 O=C([O-])CSc1ccc(cc1)F 62a_100000211213_100020667443 [0,0,0,0,0,2|1,0,1]=4 3936 B12R1.21 O=C([O-])CSc1ccc(cc1)F 62a_100020667443_100000211213 [0,0,0,0,0,2|1,0,1]=4 3937 B12R1.21 O=C([O-])CSc1ccc(cc1)O 62a_100020667443_100000185759 [0,0,0,0,0,2|0,0,1]=3 3938 B12R1.21 O=C([O-])CSc1ccc(cn1)O 62a_100000685995_100020667443 [0,0,0,0,0,2|1,0,1]=4 3939 B12R1.21 O=C([O-])CSc1ccc(cn1)O 62a_100020667443_100000744096 [0,0,0,0,0,2|1,0,1]=4 3940 B12R1.21 O=[N+]([O-])CNc1ccc(cc1)O 34a_100000185829_100000761209 [0,0,0,0,0,2|1,0,1]=4 3941 B12R1.21 [13CH3]C(=O)C#Cc1ccc(cc1)Br 1458a_100012100275_200025704644 [0,0,0,0,0,2|2,0,0]=4 3942 B12R1.21 [13CH3]C(=O)C#Cc1ccc(cc1)Cl 1458a_100011892723_200025704644 [0,0,0,0,0,2|2,0,0]=4 3943 B12R1.21 [13CH3]C(=O)C#Cc1ccc(cc1)F 1458a_100000238512_200025704644 [0,0,0,0,0,2|2,0,0]=4 3944 B12R1.21 [13CH3]C(=O)C=Cc1ccc(cc1)Br 1458a_100016267368_200025704644 [0,0,0,0,0,2|2,0,0]=4 3945 B12R1.21 [13CH3]C(=O)C=Cc1ccc(cc1)Cl 1458a_100000184863_200025704644 [0,0,0,0,0,2|2,0,0]=4 3946 B12R1.21 [13CH3]C(=O)C=Cc1ccc(cc1)F 1458a_100000182136_200025704644 [0,0,0,0,0,2|2,0,0]=4 3947 B12R1.21 [13CH3]C(=O)C=Cc1ccc(cc1)I 1458a_100102526154_200025704644 [0,0,0,0,0,2|2,0,0]=4 3948 B12R1.21 [13CH3]C(=O)CCc1ccc(cc1)Br 1458a_100000217147_200025704644 [0,0,0,0,0,2|2,0,0]=4 3949 B12R1.21 [13CH3]C(=O)CCc1ccc(cc1)Cl 1458a_100000235379_200025704644 [0,0,0,0,0,2|2,0,0]=4 3950 B12R1.21 [13CH3]C(=O)CCc1ccc(cc1)F 1458a_100000198493_200025704644 [0,0,0,0,0,2|2,0,0]=4 3951 B12R1.21 [13CH3]C(=O)CCc1ccc(cc1)I 1458a_100011217499_200025704644 [0,0,0,0,0,2|2,0,0]=4 3952 B12R1.21 [13CH3]C(=O)CCc1ccc(cc1)O 1458a_100000742835_200025704644 [0,0,0,0,0,2|1,0,0]=3 3953 B12R1.21 [13CH3]C(=O)COc1ccc(cc1)Br 1458a_100000182358_200025704644 [0,0,0,0,0,2|2,0,0]=4 3954 B12R1.21 [13CH3]C(=O)COc1ccc(cc1)Cl 1458a_100016990877_200025704644 [0,0,0,0,0,2|2,0,0]=4 3955 B12R1.21 [13CH3]C(=O)COc1ccc(cc1)F 1458a_100000184765_200025704644 [0,0,0,0,0,2|2,0,0]=4 3956 B12R1.21 [13CH3]C(=O)COc1ccc(cc1)I 1458a_100000184369_200025704644 [0,0,0,0,0,2|2,0,0]=4 3957 B12R1.21 [13CH3]C(=O)COc1ccc(cc1)O 1458a_100000031633_200025704644 [0,0,0,0,0,2|1,0,0]=3 3958 B12R1.21 [13CH3]C(=O)CSc1ccc(cc1)Br 1458a_100000179496_200025704644 [0,0,0,0,0,2|2,0,0]=4 3959 B12R1.21 [13CH3]C(=O)CSc1ccc(cc1)Cl 1458a_100000178402_200025704644 [0,0,0,0,0,2|2,0,0]=4 3960 B12R1.21 [13CH3]C(=O)CSc1ccc(cc1)F 1458a_100000691584_200025704644 [0,0,0,0,0,2|2,0,0]=4