0 B10R1.13 C=C(C)c1ccc(cc1)Br 271570a_100000694244_100000752885 [0,0,0,0,0,0|4,0,0]=4 1 B10R1.13 C=C(C)c1ccc(cc1)C 271570a_100000694244_100000186775 [0,0,0,0,0,0|4,0,0]=4 2 B10R1.13 C=C(C)c1ccc(cc1)Cl 271570a_100000694244_100000755918 [0,0,0,0,0,0|4,0,0]=4 3 B10R1.13 C=C(C)c1ccc(cc1)F 271570a_100000694244_100000211213 [0,0,0,0,0,0|4,0,0]=4 4 B10R1.13 C=C(C)c1ccc(cc1)N 271570a_100000694244_100000185761 [0,0,0,0,0,0|4,0,0]=4 5 B10R1.13 C=C(C)c1ccc(cc1)O 271570a_100000694244_100000185759 [0,0,0,0,0,0|3,0,0]=3 6 B10R1.13 C=C(C)c1ccc(cc1)O 271570a_203496583355_100000185454 [0,0,0,0,0,0|3,0,0]=3 7 B10R1.13 C=C(C)c1ccc(cn1)O 271570a_100000694244_100000685995 [0,0,0,0,0,0|4,0,0]=4 8 B10R1.13 CC(=O)c1ccc(cc1)Br 1458a_100000185839_200000210301 [0,0,0,0,0,0|3,0,0]=3 9 B10R1.13 CC(=O)c1ccc(cc1)C 1458a_100000188618_200000210301 [0,0,0,0,0,0|3,0,0]=3 10 B10R1.13 CC(=O)c1ccc(cc1)Cl 1458a_100000210187_200000210301 [0,0,0,0,0,0|3,0,0]=3 11 B10R1.13 CC(=O)c1ccc(cc1)F 1458a_100000187176_200000210301 [0,0,0,0,0,0|3,0,0]=3 12 B10R1.13 CC(=O)c1ccc(cc1)I 1458a_100000187904_200000210301 [0,0,0,0,0,0|3,0,0]=3 13 B10R1.13 CC(=O)c1ccc(cc1)O 1458a_100000212099_200000210301 [0,0,0,0,0,0|2,0,0]=2 14 B10R1.13 CC(=O)c1ccc(cc1)O 271570a_203496583355_100000185465 [0,0,0,0,0,0|2,0,0]=2 15 B10R1.13 CC(=O)c1ccc(cn1)O 271570a_203496583355_100000686046 [0,0,0,0,0,0|3,0,0]=3 16 B10R1.13 CC(=O)c1ccc(nc1)O 271570a_203496583355_100000684857 [0,0,0,0,0,0|3,0,0]=3 17 B10R1.13 CC(=O)c1cnc(cn1)O 271570a_203496583355_100009883172 [0,0,0,0,0,0|4,0,0]=4 18 B10R1.13 CC(=O)c1cnc(nc1)O 271570a_203496583355_100000099681 [0,0,0,0,0,0|4,0,0]=4 19 B10R1.13 CC(=O)c1ncc(cn1)O 271570a_203496583355_100010077182 [0,0,0,0,0,0|4,0,0]=4 20 B10R1.13 CC(C)c1ccc(cc1)O 271570a_203496583355_100000750031 [0,0,0,0,0,0|3,0,0]=3 21 B10R1.13 CC(C)c1ccc(cn1)O 271570a_203496583355_100010255768 [0,0,0,0,0,0|4,0,0]=4 22 B10R1.13 CC(C)c1ccc(nc1)O 271570a_203496583355_200009815286 [0,0,0,0,0,0|4,0,0]=4 23 B10R1.13 CC(N)c1ccc(cn1)O 271570a_203496583355_100000723930 [0,0,0,0,0,0|4,0,0]=4 24 B10R1.13 CC(O)c1ccc(cc1)O 271570a_203496583355_100000745893 [0,0,0,0,0,0|2,0,1]=3 25 B10R1.13 CC(O)c1ccc(cn1)O 271570a_203496583355_100012353650 [0,0,0,0,0,0|3,0,1]=4 26 B10R1.13 CC(O)c1ccc(nc1)O 271570a_203496583355_200010274204 [0,0,0,0,0,0|3,0,1]=4 27 B10R1.13 CN(C)c1ccc(cc1)Br 2230a_100000219623_200000210301 [0,0,0,0,0,0|3,0,1]=4 28 B10R1.13 CN(C)c1ccc(cc1)Br 269982a_100000219623_200000210301 [0,0,0,0,0,0|3,0,1]=4 29 B10R1.13 CN(C)c1ccc(cc1)Br 34a_100000219623_200000210301 [0,0,0,0,0,0|3,0,1]=4 30 B10R1.13 CN(C)c1ccc(cc1)Cl 2230a_100020629279_200000210301 [0,0,0,0,0,0|3,0,1]=4 31 B10R1.13 CN(C)c1ccc(cc1)Cl 269982a_100020629279_200000210301 [0,0,0,0,0,0|3,0,1]=4 32 B10R1.13 CN(C)c1ccc(cc1)Cl 34a_100020629279_200000210301 [0,0,0,0,0,0|3,0,1]=4 33 B10R1.13 CN(C)c1ccc(cc1)F 2230a_100000219829_200000210301 [0,0,0,0,0,0|3,0,1]=4 34 B10R1.13 CN(C)c1ccc(cc1)F 269982a_100000219829_200000210301 [0,0,0,0,0,0|3,0,1]=4 35 B10R1.13 CN(C)c1ccc(cc1)F 34a_100000219829_200000210301 [0,0,0,0,0,0|3,0,1]=4 36 B10R1.13 CN(C)c1ccc(cc1)I 2230a_100000743151_200000210301 [0,0,0,0,0,0|3,0,1]=4 37 B10R1.13 CN(C)c1ccc(cc1)I 269982a_100000743151_200000210301 [0,0,0,0,0,0|3,0,1]=4 38 B10R1.13 CN(C)c1ccc(cc1)I 34a_100000743151_200000210301 [0,0,0,0,0,0|3,0,1]=4 39 B10R1.13 CN(C)c1ccc(cc1)O 269982a_100000182112_200000210301 [0,0,0,0,0,0|2,0,1]=3 40 B10R1.13 CN(C)c1ccc(cc1)O 271570a_203496583355_100000210421 [0,0,0,0,0,0|2,0,1]=3 41 B10R1.13 CN(C)c1ccc(cc1)O 34a_100000182112_200000210301 [0,0,0,0,0,0|2,0,1]=3 42 B10R1.13 CN(C)c1ccc(cn1)O 271570a_203496583355_100011465347 [0,0,0,0,0,0|3,0,1]=4 43 B10R1.13 CN(C)c1ccc(nc1)O 271570a_203496583355_100009992925 [0,0,0,0,0,0|3,0,1]=4 44 B10R1.13 CN([13CH3])c1ccc(cc1)Br 2230a_100000219623_200025704644 [0,0,0,0,0,0|3,0,1]=4 45 B10R1.13 CN([13CH3])c1ccc(cc1)Br 269982a_100000219623_200025704644 [0,0,0,0,0,0|3,0,1]=4 46 B10R1.13 CN([13CH3])c1ccc(cc1)Br 34a_100000219623_200025704644 [0,0,0,0,0,0|3,0,1]=4 47 B10R1.13 CN([13CH3])c1ccc(cc1)Cl 2230a_100020629279_200025704644 [0,0,0,0,0,0|3,0,1]=4 48 B10R1.13 CN([13CH3])c1ccc(cc1)Cl 269982a_100020629279_200025704644 [0,0,0,0,0,0|3,0,1]=4 49 B10R1.13 CN([13CH3])c1ccc(cc1)Cl 34a_100020629279_200025704644 [0,0,0,0,0,0|3,0,1]=4 50 B10R1.13 CN([13CH3])c1ccc(cc1)F 2230a_100000219829_200025704644 [0,0,0,0,0,0|3,0,1]=4 51 B10R1.13 CN([13CH3])c1ccc(cc1)F 269982a_100000219829_200025704644 [0,0,0,0,0,0|3,0,1]=4 52 B10R1.13 CN([13CH3])c1ccc(cc1)F 34a_100000219829_200025704644 [0,0,0,0,0,0|3,0,1]=4 53 B10R1.13 CN([13CH3])c1ccc(cc1)I 2230a_100000743151_200025704644 [0,0,0,0,0,0|3,0,1]=4 54 B10R1.13 CN([13CH3])c1ccc(cc1)I 269982a_100000743151_200025704644 [0,0,0,0,0,0|3,0,1]=4 55 B10R1.13 CN([13CH3])c1ccc(cc1)I 34a_100000743151_200025704644 [0,0,0,0,0,0|3,0,1]=4 56 B10R1.13 CN([13CH3])c1ccc(cc1)O 269982a_100000182112_200025704644 [0,0,0,0,0,0|2,0,1]=3 57 B10R1.13 CN([13CH3])c1ccc(cc1)O 34a_100000182112_200025704644 [0,0,0,0,0,0|2,0,1]=3 58 B10R1.13 CS(=O)c1ccc(cc1)O 271570a_203496583355_100009816266 [0,0,0,0,0,0|2,0,0]=2 59 B10R1.13 CS(=O)c1ncc(cn1)O 271570a_203496583355_100010117237 [0,0,0,0,0,0|4,0,0]=4 60 B10R1.13 C[C@@H](N)c1ccc(cc1)O 271570a_203496583355_100000720352 [0,0,0,0,0,0|3,0,0]=3 61 B10R1.13 C[C@H](N)c1ccc(cc1)O 271570a_203496583355_100000753911 [0,0,0,0,0,0|3,0,0]=3 62 B10R1.13 C[C@H](N)c1ccc(nc1)O 271570a_203496583355_100015387476 [0,0,0,0,0,0|4,0,0]=4 63 B10R1.13 Cc1ccc(cc1)C(=O)[13CH3] 1458a_100000188618_200025704644 [0,0,0,0,0,0|3,0,0]=3 64 B10R1.13 Cc1ccc(cc1)N(C)C 2230a_100000219977_200000210301 [0,0,0,0,0,0|3,0,1]=4 65 B10R1.13 Cc1ccc(cc1)N(C)C 269982a_100000219977_200000210301 [0,0,0,0,0,0|3,0,1]=4 66 B10R1.13 Cc1ccc(cc1)N(C)C 34a_100000219977_200000210301 [0,0,0,0,0,0|3,0,1]=4 67 B10R1.13 Cc1ccc(cc1)N(C)[13CH3] 2230a_100000219977_200025704644 [0,0,0,0,0,0|3,0,1]=4 68 B10R1.13 Cc1ccc(cc1)N(C)[13CH3] 269982a_100000219977_200025704644 [0,0,0,0,0,0|3,0,1]=4 69 B10R1.13 Cc1ccc(cc1)N(C)[13CH3] 34a_100000219977_200025704644 [0,0,0,0,0,0|3,0,1]=4 70 B10R1.13 NC(=O)c1ccc(cc1)O 271570a_203496583355_100000162191 [0,0,0,0,0,0|2,0,0]=2 71 B10R1.13 NC(=O)c1ccc(cn1)O 271570a_203496583355_100011219284 [0,0,0,0,0,0|3,0,0]=3 72 B10R1.13 NC(=O)c1ccc(nc1)O 271570a_203496583355_100000162237 [0,0,0,0,0,0|3,0,0]=3 73 B10R1.13 NC(=O)c1ccc(nn1)O 271570a_203496583355_100000761398 [0,0,0,0,0,0|4,0,0]=4 74 B10R1.13 NC(=O)c1cnc(cn1)O 271570a_203496583355_100000738300 [0,0,0,0,0,0|4,0,0]=4 75 B10R1.13 NC(=O)c1ncc(cn1)O 271570a_203496583355_100009996756 [0,0,0,0,0,0|4,0,0]=4 76 B10R1.13 OB(O)c1ccc(cc1)O 271570a_203496583355_100000754493 [0,0,0,0,0,0|1,0,2]=3 77 B10R1.13 OB(O)c1ccc(cn1)O 271570a_203496583355_200010198023 [0,0,0,0,0,0|2,0,2]=4 78 B10R1.13 OB(O)c1ccc(nc1)O 271570a_203496583355_100000688115 [0,0,0,0,0,0|2,0,2]=4 79 B10R1.13 Oc1ccc(cc1)C(F)F 271570a_203496583355_100010189923 [0,0,0,0,0,0|3,0,0]=3 80 B10R1.13 Oc1ccc(cn1)C(F)F 271570a_203496583355_100000720607 [0,0,0,0,0,0|4,0,0]=4 81 B10R1.13 Oc1ccc(nc1)C(F)F 271570a_203496583355_100010253924 [0,0,0,0,0,0|4,0,0]=4 82 B10R1.13 [13CH3]C(=O)c1ccc(cc1)Br 1458a_100000185839_200025704644 [0,0,0,0,0,0|3,0,0]=3 83 B10R1.13 [13CH3]C(=O)c1ccc(cc1)Cl 1458a_100000210187_200025704644 [0,0,0,0,0,0|3,0,0]=3 84 B10R1.13 [13CH3]C(=O)c1ccc(cc1)F 1458a_100000187176_200025704644 [0,0,0,0,0,0|3,0,0]=3 85 B10R1.13 [13CH3]C(=O)c1ccc(cc1)I 1458a_100000187904_200025704644 [0,0,0,0,0,0|3,0,0]=3 86 B10R1.13 [13CH3]C(=O)c1ccc(cc1)O 1458a_100000212099_200025704644 [0,0,0,0,0,0|2,0,0]=2 87 B9R1.1 C=Cc1ccc(cc1)Br 271570a_100011290941_100000752885 [1,0,0,0,0,0|3,0,0]=4 88 B9R1.1 C=Cc1ccc(cc1)C 271570a_100011290941_100000186775 [1,0,0,0,0,0|3,0,0]=4 89 B9R1.1 C=Cc1ccc(cc1)Cl 271570a_100011290941_100000755918 [1,0,0,0,0,0|3,0,0]=4 90 B9R1.1 C=Cc1ccc(cc1)F 271570a_100011290941_100000211213 [1,0,0,0,0,0|3,0,0]=4 91 B9R1.1 C=Cc1ccc(cc1)N 271570a_100011290941_100000185761 [1,0,0,0,0,0|3,0,0]=4 92 B9R1.1 C=Cc1ccc(cc1)O 271570a_100011290941_100000185759 [1,0,0,0,0,0|2,0,0]=3 93 B9R1.1 C=Cc1ccc(cn1)O 271570a_100011290941_100000685995 [1,0,0,0,0,0|3,0,0]=4 94 B9R1.1 CCc1ccc(cc1)O 271570a_203496583355_100011215824 [1,0,0,0,0,0|2,0,0]=3 95 B9R1.1 CCc1ccc(cn1)O 271570a_203496583355_100009820025 [1,0,0,0,0,0|3,0,0]=4 96 B9R1.1 CCc1ccc(nc1)O 271570a_203496583355_100009843584 [1,0,0,0,0,0|3,0,0]=4 97 B9R1.1 CNc1ccc(cc1)Br 2230a_100000210018_200000210301 [1,0,0,0,0,0|2,0,1]=4 98 B9R1.1 CNc1ccc(cc1)Br 34a_100000210018_200000210301 [1,0,0,0,0,0|2,0,1]=4 99 B9R1.1 CNc1ccc(cc1)C 34a_100000124888_200000210301 [1,0,0,0,0,0|2,0,1]=4 100 B9R1.1 CNc1ccc(cc1)Cl 2230a_100000210052_200000210301 [1,0,0,0,0,0|2,0,1]=4 101 B9R1.1 CNc1ccc(cc1)Cl 34a_100000210052_200000210301 [1,0,0,0,0,0|2,0,1]=4 102 B9R1.1 CNc1ccc(cc1)F 34a_100000185862_200000210301 [1,0,0,0,0,0|2,0,1]=4 103 B9R1.1 CNc1ccc(cc1)I 34a_100000185761_200000210301 [1,0,0,0,0,0|2,0,1]=4 104 B9R1.1 CNc1ccc(cc1)O 271570a_203496583355_100000219623 [1,0,0,0,0,0|1,0,1]=3 105 B9R1.1 CNc1ccc(cc1)O 34a_100000185829_200000210301 [1,0,0,0,0,0|1,0,1]=3 106 B9R1.1 CNc1ccc(cn1)O 271570a_203496583355_100000741341 [1,0,0,0,0,0|2,0,1]=4 107 B9R1.1 CNc1ccc(nc1)O 271570a_203496583355_100000764248 [1,0,0,0,0,0|2,0,1]=4 108 B9R1.1 COc1ccc(cc1)Br 34a_100000185759_200000210301 [1,0,0,0,0,0|3,0,0]=4 109 B9R1.1 COc1ccc(cc1)Br 7a_100000185759_200000210301 [1,0,0,0,0,0|3,0,0]=4 110 B9R1.1 COc1ccc(cc1)C 34a_100000210336_200000210301 [1,0,0,0,0,0|3,0,0]=4 111 B9R1.1 COc1ccc(cc1)C 7a_100000210336_200000210301 [1,0,0,0,0,0|3,0,0]=4 112 B9R1.1 COc1ccc(cc1)Cl 34a_100000210216_200000210301 [1,0,0,0,0,0|3,0,0]=4 113 B9R1.1 COc1ccc(cc1)Cl 7a_100000210216_200000210301 [1,0,0,0,0,0|3,0,0]=4 114 B9R1.1 COc1ccc(cc1)F 34a_100000210339_200000210301 [1,0,0,0,0,0|3,0,0]=4 115 B9R1.1 COc1ccc(cc1)I 34a_100000212066_200000210301 [1,0,0,0,0,0|3,0,0]=4 116 B9R1.1 COc1ccc(cc1)I 7a_100000212066_200000210301 [1,0,0,0,0,0|3,0,0]=4 117 B9R1.1 COc1ccc(cc1)N 34a_100000185829_200000210301 [1,0,0,0,0,0|3,0,0]=4 118 B9R1.1 COc1ccc(cc1)O 271570a_203496583355_100000171711 [1,0,0,0,0,0|2,0,0]=3 119 B9R1.1 COc1ccc(cn1)O 271570a_203496583355_100000047065 [1,0,0,0,0,0|3,0,0]=4 120 B9R1.1 COc1ccc(nc1)O 271570a_203496583355_100000755202 [1,0,0,0,0,0|3,0,0]=4 121 B9R1.1 CSc1ccc(cc1)Br 62a_100000752885_200000210301 [1,0,0,0,0,0|3,0,0]=4 122 B9R1.1 CSc1ccc(cc1)Br 62a_200000210301_100000752885 [1,0,0,0,0,0|3,0,0]=4 123 B9R1.1 CSc1ccc(cc1)C 62a_100000186775_200000210301 [1,0,0,0,0,0|3,0,0]=4 124 B9R1.1 CSc1ccc(cc1)C 62a_200000210301_100000186775 [1,0,0,0,0,0|3,0,0]=4 125 B9R1.1 CSc1ccc(cc1)Cl 62a_100000755918_200000210301 [1,0,0,0,0,0|3,0,0]=4 126 B9R1.1 CSc1ccc(cc1)Cl 62a_200000210301_100000755918 [1,0,0,0,0,0|3,0,0]=4 127 B9R1.1 CSc1ccc(cc1)F 62a_100000211213_200000210301 [1,0,0,0,0,0|3,0,0]=4 128 B9R1.1 CSc1ccc(cc1)F 62a_200000210301_100000211213 [1,0,0,0,0,0|3,0,0]=4 129 B9R1.1 CSc1ccc(cc1)N 62a_100000185761_200000210301 [1,0,0,0,0,0|3,0,0]=4 130 B9R1.1 CSc1ccc(cc1)N 62a_200000210301_100000185761 [1,0,0,0,0,0|3,0,0]=4 131 B9R1.1 CSc1ccc(cc1)O 271570a_203496583355_100011263217 [1,0,0,0,0,0|2,0,0]=3 132 B9R1.1 CSc1ccc(cc1)O 62a_200000210301_100000185759 [1,0,0,0,0,0|2,0,0]=3 133 B9R1.1 CSc1ccc(cn1)O 271570a_203496583355_100011408404 [1,0,0,0,0,0|3,0,0]=4 134 B9R1.1 CSc1ccc(cn1)O 62a_100000685995_200000210301 [1,0,0,0,0,0|3,0,0]=4 135 B9R1.1 CSc1ccc(cn1)O 62a_200000210301_100000744096 [1,0,0,0,0,0|3,0,0]=4 136 B9R1.1 CSc1ccc(nc1)O 271570a_203496583355_100009820866 [1,0,0,0,0,0|3,0,0]=4 137 B9R1.1 Cc1ccc(cc1)N[13CH3] 34a_100000124888_200025704644 [1,0,0,0,0,0|2,0,1]=4 138 B9R1.1 Cc1ccc(cc1)O[13CH3] 34a_100000210336_200025704644 [1,0,0,0,0,0|3,0,0]=4 139 B9R1.1 Cc1ccc(cc1)O[13CH3] 7a_100000210336_200025704644 [1,0,0,0,0,0|3,0,0]=4 140 B9R1.1 Cc1ccc(cc1)S[13CH3] 62a_100000186775_200025704644 [1,0,0,0,0,0|3,0,0]=4 141 B9R1.1 Cc1ccc(cc1)S[13CH3] 62a_200025704644_100000186775 [1,0,0,0,0,0|3,0,0]=4 142 B9R1.1 N#Cc1ccc(cc1)O 271570a_203496583355_100000179745 [1,0,0,0,0,0|2,0,0]=3 143 B9R1.1 N#Cc1ccc(cn1)O 271570a_203496583355_100000760455 [1,0,0,0,0,0|3,0,0]=4 144 B9R1.1 N#Cc1ccc(nc1)O 271570a_203496583355_100000241038 [1,0,0,0,0,0|3,0,0]=4 145 B9R1.1 NCc1ccc(cc1)O 271570a_203496583355_100016989417 [1,0,0,0,0,0|2,0,0]=3 146 B9R1.1 NCc1ccc(cn1)O 271570a_203496583355_100015188789 [1,0,0,0,0,0|3,0,0]=4 147 B9R1.1 NCc1ccc(nc1)O 271570a_203496583355_100009817727 [1,0,0,0,0,0|3,0,0]=4 148 B9R1.1 NNc1ccc(cc1)O 271570a_203496583355_100016988836 [1,0,0,0,0,0|1,0,1]=3 149 B9R1.1 NNc1ccc(cn1)O 271570a_203496583355_100000750576 [1,0,0,0,0,0|2,0,1]=4 150 B9R1.1 NNc1ccc(nc1)O 271570a_203496583355_100000119030 [1,0,0,0,0,0|2,0,1]=4 151 B9R1.1 O=Cc1ccc(cc1)O 271570a_203496583355_100000186029 [1,0,0,0,0,0|1,0,0]=2 152 B9R1.1 O=Cc1ccc(cn1)O 271570a_203496583355_100000754260 [1,0,0,0,0,0|2,0,0]=3 153 B9R1.1 O=Cc1ccc(nc1)O 271570a_203496583355_100000766901 [1,0,0,0,0,0|2,0,0]=3 154 B9R1.1 O=Cc1ccc(nn1)O 271570a_203496583355_100000044651 [1,0,0,0,0,0|3,0,0]=4 155 B9R1.1 O=Cc1cnc(cn1)O 271570a_203496583355_100012001714 [1,0,0,0,0,0|3,0,0]=4 156 B9R1.1 O=Cc1cnc(nc1)O 271570a_203496583355_100000070856 [1,0,0,0,0,0|3,0,0]=4 157 B9R1.1 OCc1ccc(cc1)O 271570a_203496583355_100000690907 [1,0,0,0,0,0|1,0,1]=3 158 B9R1.1 OCc1ccc(cn1)O 271570a_203496583355_100000754261 [1,0,0,0,0,0|2,0,1]=4 159 B9R1.1 OCc1ccc(nc1)O 271570a_203496583355_100009816760 [1,0,0,0,0,0|2,0,1]=4 160 B9R1.1 Oc1ccc(cc1)CF 271570a_203496583355_100010268989 [1,0,0,0,0,0|2,0,0]=3 161 B9R1.1 [13CH3]Nc1ccc(cc1)Br 2230a_100000210018_200025704644 [1,0,0,0,0,0|2,0,1]=4 162 B9R1.1 [13CH3]Nc1ccc(cc1)Br 34a_100000210018_200025704644 [1,0,0,0,0,0|2,0,1]=4 163 B9R1.1 [13CH3]Nc1ccc(cc1)Cl 2230a_100000210052_200025704644 [1,0,0,0,0,0|2,0,1]=4 164 B9R1.1 [13CH3]Nc1ccc(cc1)Cl 34a_100000210052_200025704644 [1,0,0,0,0,0|2,0,1]=4 165 B9R1.1 [13CH3]Nc1ccc(cc1)F 34a_100000185862_200025704644 [1,0,0,0,0,0|2,0,1]=4 166 B9R1.1 [13CH3]Nc1ccc(cc1)I 34a_100000185761_200025704644 [1,0,0,0,0,0|2,0,1]=4 167 B9R1.1 [13CH3]Nc1ccc(cc1)O 34a_100000185829_200025704644 [1,0,0,0,0,0|1,0,1]=3 168 B9R1.1 [13CH3]Oc1ccc(cc1)Br 34a_100000185759_200025704644 [1,0,0,0,0,0|3,0,0]=4 169 B9R1.1 [13CH3]Oc1ccc(cc1)Br 7a_100000185759_200025704644 [1,0,0,0,0,0|3,0,0]=4 170 B9R1.1 [13CH3]Oc1ccc(cc1)Cl 34a_100000210216_200025704644 [1,0,0,0,0,0|3,0,0]=4 171 B9R1.1 [13CH3]Oc1ccc(cc1)Cl 7a_100000210216_200025704644 [1,0,0,0,0,0|3,0,0]=4 172 B9R1.1 [13CH3]Oc1ccc(cc1)F 34a_100000210339_200025704644 [1,0,0,0,0,0|3,0,0]=4 173 B9R1.1 [13CH3]Oc1ccc(cc1)I 34a_100000212066_200025704644 [1,0,0,0,0,0|3,0,0]=4 174 B9R1.1 [13CH3]Oc1ccc(cc1)I 7a_100000212066_200025704644 [1,0,0,0,0,0|3,0,0]=4 175 B9R1.1 [13CH3]Oc1ccc(cc1)N 34a_100000185829_200025704644 [1,0,0,0,0,0|3,0,0]=4 176 B9R1.1 [13CH3]Sc1ccc(cc1)Br 62a_100000752885_200025704644 [1,0,0,0,0,0|3,0,0]=4 177 B9R1.1 [13CH3]Sc1ccc(cc1)Br 62a_200025704644_100000752885 [1,0,0,0,0,0|3,0,0]=4 178 B9R1.1 [13CH3]Sc1ccc(cc1)Cl 62a_100000755918_200025704644 [1,0,0,0,0,0|3,0,0]=4 179 B9R1.1 [13CH3]Sc1ccc(cc1)Cl 62a_200025704644_100000755918 [1,0,0,0,0,0|3,0,0]=4 180 B9R1.1 [13CH3]Sc1ccc(cc1)F 62a_100000211213_200025704644 [1,0,0,0,0,0|3,0,0]=4 181 B9R1.1 [13CH3]Sc1ccc(cc1)F 62a_200025704644_100000211213 [1,0,0,0,0,0|3,0,0]=4 182 B9R1.1 [13CH3]Sc1ccc(cc1)N 62a_100000185761_200025704644 [1,0,0,0,0,0|3,0,0]=4 183 B9R1.1 [13CH3]Sc1ccc(cc1)N 62a_200025704644_100000185761 [1,0,0,0,0,0|3,0,0]=4 184 B9R1.1 [13CH3]Sc1ccc(cc1)O 62a_200025704644_100000185759 [1,0,0,0,0,0|2,0,0]=3 185 B9R1.1 [13CH3]Sc1ccc(cn1)O 62a_100000685995_200025704644 [1,0,0,0,0,0|3,0,0]=4 186 B9R1.1 [13CH3]Sc1ccc(cn1)O 62a_200025704644_100000744096 [1,0,0,0,0,0|3,0,0]=4 187 B9R1.6 C=C(C)c1ccccc1 271570a_100000694244_100000210277 [1,0,0,0,0,0|3,0,0]=4 188 B9R1.6 CC(=O)c1ccccc1 1458a_100000185807_200000210301 [1,0,0,0,0,0|2,0,0]=3 189 B9R1.6 CN(C)c1ccccc1 2230a_100000210012_200000210301 [1,0,0,0,0,0|2,0,1]=4 190 B9R1.6 CN(C)c1ccccc1 269982a_100000210012_200000210301 [1,0,0,0,0,0|2,0,1]=4 191 B9R1.6 CN(C)c1ccccc1 34a_100000210012_200000210301 [1,0,0,0,0,0|2,0,1]=4 192 B9R1.6 CN([13CH3])c1ccccc1 2230a_100000210012_200025704644 [1,0,0,0,0,0|2,0,1]=4 193 B9R1.6 CN([13CH3])c1ccccc1 269982a_100000210012_200025704644 [1,0,0,0,0,0|2,0,1]=4 194 B9R1.6 CN([13CH3])c1ccccc1 34a_100000210012_200025704644 [1,0,0,0,0,0|2,0,1]=4 195 B9R1.6 [13CH3]C(=O)c1ccccc1 1458a_100000185807_200025704644 [1,0,0,0,0,0|2,0,0]=3 196 B11R1.3 C#Cc1ccc(cc1)C(=O)C 1458a_100011217615_200000210301 [0,1,0,0,0,0|3,0,0]=4 197 B11R1.3 C#Cc1ccc(cc1)C(=O)[13CH3] 1458a_100011217615_200025704644 [0,1,0,0,0,0|3,0,0]=4 198 B11R1.3 C=C(C)c1ccc(cc1)CO 271570a_100000694244_100000690907 [0,1,0,0,0,0|3,0,0]=4 199 B11R1.3 C=C(C)c1ccc(cc1)OC 271570a_100000694244_100000171711 [0,1,0,0,0,0|3,0,0]=4 200 B11R1.3 C=C(C)c1ccc(cc1)OC 34a_100009880102_200000210301 [0,1,0,0,0,0|3,0,0]=4 201 B11R1.3 C=C(C)c1ccc(cc1)OC 7a_100009880102_200000210301 [0,1,0,0,0,0|3,0,0]=4 202 B11R1.3 C=C(C)c1ccc(cc1)O[13CH3] 34a_100009880102_200025704644 [0,1,0,0,0,0|3,0,0]=4 203 B11R1.3 C=C(C)c1ccc(cc1)O[13CH3] 7a_100009880102_200025704644 [0,1,0,0,0,0|3,0,0]=4 204 B11R1.3 C=Cc1ccc(cc1)C(=O)C 1458a_100000687532_200000210301 [0,1,0,0,0,0|3,0,0]=4 205 B11R1.3 C=Cc1ccc(cc1)C(=O)C 271570a_100011290941_100000185465 [0,1,0,0,0,0|3,0,0]=4 206 B11R1.3 C=Cc1ccc(cc1)C(=O)N 271570a_100011290941_100000162191 [0,1,0,0,0,0|3,0,0]=4 207 B11R1.3 C=Cc1ccc(cc1)C(=O)[13CH3] 1458a_100000687532_200025704644 [0,1,0,0,0,0|3,0,0]=4 208 B11R1.3 C=Cc1ccc(cc1)S(=O)C 271570a_100011290941_100009816266 [0,1,0,0,0,0|3,0,0]=4 209 B11R1.3 CC(=O)c1ccc(cc1)C#N 1458a_100000210717_200000210301 [0,1,0,0,0,0|3,0,0]=4 210 B11R1.3 CC(=O)c1ccc(cc1)CO 1458a_100000183892_200000210301 [0,1,0,0,0,0|2,0,0]=3 211 B11R1.3 CC(=O)c1ccc(cc1)O[13CH3] 34a_100000185113_200025704644 [0,1,0,0,0,0|2,0,0]=3 212 B11R1.3 CC(=O)c1ccc(cc1)O[13CH3] 7a_100000185113_200025704644 [0,1,0,0,0,0|2,0,0]=3 213 B11R1.3 CC(=O)c1ccc(cc1)S[13CH3] 62a_100000185465_200025704644 [0,1,0,0,0,0|2,1,0]=4 214 B11R1.3 CC(=O)c1ccc(cc1)S[13CH3] 62a_200025704644_100000185465 [0,1,0,0,0,0|2,1,0]=4 215 B11R1.3 CC(=O)c1ccc(cn1)O[13CH3] 34a_100012001710_200025704644 [0,1,0,0,0,0|3,0,0]=4 216 B11R1.3 CC(=O)c1ccc(cn1)O[13CH3] 7a_100012001710_200025704644 [0,1,0,0,0,0|3,0,0]=4 217 B11R1.3 CC(C)c1ccc(cc1)O[13CH3] 34a_100000181308_200025704644 [0,1,0,0,0,0|3,0,0]=4 218 B11R1.3 CC(C)c1ccc(cc1)O[13CH3] 7a_100000181308_200025704644 [0,1,0,0,0,0|3,0,0]=4 219 B11R1.3 CC(O)c1ccc(cc1)O[13CH3] 34a_100000754508_200025704644 [0,1,0,0,0,0|2,0,1]=4 220 B11R1.3 CC(O)c1ccc(cc1)O[13CH3] 7a_100000754508_200025704644 [0,1,0,0,0,0|2,0,1]=4 221 B11R1.3 CCc1ccc(cc1)C(=O)C 1458a_100000211226_200000210301 [0,1,0,0,0,0|3,0,0]=4 222 B11R1.3 CCc1ccc(cc1)C(=O)[13CH3] 1458a_100000211226_200025704644 [0,1,0,0,0,0|3,0,0]=4 223 B11R1.3 CN(C)c1ccc(cc1)O[13CH3] 34a_100000718910_200025704644 [0,1,0,0,0,0|2,0,1]=4 224 B11R1.3 CNc1ccc(cc1)C(=O)N 27a_100102657272_100000162191 [0,1,0,0,0,0|3,0,0]=4 225 B11R1.3 CNc1ccc(cc1)C(=O)N 34a_100000210537_200000210301 [0,1,0,0,0,0|3,0,0]=4 226 B11R1.3 CNc1ccc(cc1)[N+](=O)[O-] 2230a_100015195142_200000210301 [0,1,0,0,0,0|1,0,0]=2 227 B11R1.3 CNc1ccc(cc1)[N+](=O)[O-] 34a_100015195142_200000210301 [0,1,0,0,0,0|1,0,0]=2 228 B11R1.3 COc1ccc(cc1)C(=O)C 1458a_100000184203_200000210301 [0,1,0,0,0,0|2,0,0]=3 229 B11R1.3 COc1ccc(cc1)C(=O)C 34a_100000185113_200000210301 [0,1,0,0,0,0|2,0,0]=3 230 B11R1.3 COc1ccc(cc1)C(=O)C 7a_100000185113_200000210301 [0,1,0,0,0,0|2,0,0]=3 231 B11R1.3 COc1ccc(cc1)C(=O)N 34a_100000746352_200000210301 [0,1,0,0,0,0|2,0,0]=3 232 B11R1.3 COc1ccc(cc1)C(=O)N 7a_100000746352_200000210301 [0,1,0,0,0,0|2,0,0]=3 233 B11R1.3 COc1ccc(cc1)C(=O)[13CH3] 1458a_100000184203_200025704644 [0,1,0,0,0,0|2,0,0]=3 234 B11R1.3 COc1ccc(cc1)C(C)C 34a_100000181308_200000210301 [0,1,0,0,0,0|3,0,0]=4 235 B11R1.3 COc1ccc(cc1)C(C)C 7a_100000181308_200000210301 [0,1,0,0,0,0|3,0,0]=4 236 B11R1.3 COc1ccc(cc1)C(C)O 34a_100000754508_200000210301 [0,1,0,0,0,0|2,0,1]=4 237 B11R1.3 COc1ccc(cc1)C(C)O 7a_100000754508_200000210301 [0,1,0,0,0,0|2,0,1]=4 238 B11R1.3 COc1ccc(cc1)N(C)C 2230a_100000220023_200000210301 [0,1,0,0,0,0|2,0,1]=4 239 B11R1.3 COc1ccc(cc1)N(C)C 269982a_100000220023_200000210301 [0,1,0,0,0,0|2,0,1]=4 240 B11R1.3 COc1ccc(cc1)N(C)C 34a_100000220023_200000210301 [0,1,0,0,0,0|2,0,1]=4 241 B11R1.3 COc1ccc(cc1)N(C)C 34a_100000718910_200000210301 [0,1,0,0,0,0|2,0,1]=4 242 B11R1.3 COc1ccc(cc1)N(C)[13CH3] 2230a_100000220023_200025704644 [0,1,0,0,0,0|2,0,1]=4 243 B11R1.3 COc1ccc(cc1)N(C)[13CH3] 269982a_100000220023_200025704644 [0,1,0,0,0,0|2,0,1]=4 244 B11R1.3 COc1ccc(cc1)N(C)[13CH3] 34a_100000220023_200025704644 [0,1,0,0,0,0|2,0,1]=4 245 B11R1.3 COc1ccc(cc1)S(=O)C 34a_200000064373_200000210301 [0,1,0,0,0,0|2,0,0]=3 246 B11R1.3 COc1ccc(cc1)S(=O)C 7a_200000064373_200000210301 [0,1,0,0,0,0|2,0,0]=3 247 B11R1.3 COc1ccc(cc1)[C@H](C)N 34a_100161106496_200000210301 [0,1,0,0,0,0|3,0,0]=4 248 B11R1.3 COc1ccc(cc1)[N+](=O)[O-] 34a_100000185810_200000210301 [0,1,0,0,0,0|0,0,0]=1 249 B11R1.3 COc1ccc(cc1)[N+](=O)[O-] 7a_100000185810_200000210301 [0,1,0,0,0,0|0,0,0]=1 250 B11R1.3 COc1ccc(cc1)[S+](C)C 34a_100010188728_200000210301 [0,1,0,0,0,0|3,0,0]=4 251 B11R1.3 COc1ccc(cc1)[S+](C)C 7a_100010188728_200000210301 [0,1,0,0,0,0|3,0,0]=4 252 B11R1.3 COc1ccc(nc1)C(=O)C 34a_100012001710_200000210301 [0,1,0,0,0,0|3,0,0]=4 253 B11R1.3 COc1ccc(nc1)C(=O)C 7a_100012001710_200000210301 [0,1,0,0,0,0|3,0,0]=4 254 B11R1.3 COc1ccc(nc1)[N+](=O)[O-] 7a_100000060138_200000210301 [0,1,0,0,0,0|1,0,0]=2 255 B11R1.3 CS(=O)c1ccc(cc1)O[13CH3] 34a_200000064373_200025704644 [0,1,0,0,0,0|2,0,0]=3 256 B11R1.3 CS(=O)c1ccc(cc1)O[13CH3] 7a_200000064373_200025704644 [0,1,0,0,0,0|2,0,0]=3 257 B11R1.3 CS(=O)c1ccc(cc1)S[13CH3] 62a_100009816266_200025704644 [0,1,0,0,0,0|2,1,0]=4 258 B11R1.3 CSc1ccc(cc1)C(=O)C 1458a_100000189692_200000210301 [0,1,0,0,0,0|2,1,0]=4 259 B11R1.3 CSc1ccc(cc1)C(=O)C 62a_100000185465_200000210301 [0,1,0,0,0,0|2,1,0]=4 260 B11R1.3 CSc1ccc(cc1)C(=O)C 62a_200000210301_100000185465 [0,1,0,0,0,0|2,1,0]=4 261 B11R1.3 CSc1ccc(cc1)C(=O)N 62a_100000162191_200000210301 [0,1,0,0,0,0|2,1,0]=4 262 B11R1.3 CSc1ccc(cc1)C(=O)N 62a_200000210301_100000162191 [0,1,0,0,0,0|2,1,0]=4 263 B11R1.3 CSc1ccc(cc1)C(=O)[13CH3] 1458a_100000189692_200025704644 [0,1,0,0,0,0|2,1,0]=4 264 B11R1.3 CSc1ccc(cc1)S(=O)C 62a_100009816266_200000210301 [0,1,0,0,0,0|2,1,0]=4 265 B11R1.3 C[C@H](N)c1ccc(cc1)O[13CH3] 34a_100161106496_200025704644 [0,1,0,0,0,0|3,0,0]=4 266 B11R1.3 C[S+](C)c1ccc(cc1)O[13CH3] 34a_100010188728_200025704644 [0,1,0,0,0,0|3,0,0]=4 267 B11R1.3 C[S+](C)c1ccc(cc1)O[13CH3] 7a_100010188728_200025704644 [0,1,0,0,0,0|3,0,0]=4 268 B11R1.3 [13CH3]C(=O)c1ccc(cc1)C#N 1458a_100000210717_200025704644 [0,1,0,0,0,0|3,0,0]=4 269 B11R1.3 [13CH3]C(=O)c1ccc(cc1)CO 1458a_100000183892_200025704644 [0,1,0,0,0,0|2,0,0]=3 270 B11R1.3 [13CH3]Nc1ccc(cc1)C(=O)N 34a_100000210537_200025704644 [0,1,0,0,0,0|3,0,0]=4 271 B11R1.3 [13CH3]Nc1ccc(cc1)[N+](=O)[O-] 2230a_100015195142_200025704644 [0,1,0,0,0,0|1,0,0]=2 272 B11R1.3 [13CH3]Nc1ccc(cc1)[N+](=O)[O-] 34a_100015195142_200025704644 [0,1,0,0,0,0|1,0,0]=2 273 B11R1.3 [13CH3]Oc1ccc(cc1)C(=O)N 34a_100000746352_200025704644 [0,1,0,0,0,0|2,0,0]=3 274 B11R1.3 [13CH3]Oc1ccc(cc1)C(=O)N 7a_100000746352_200025704644 [0,1,0,0,0,0|2,0,0]=3 275 B11R1.3 [13CH3]Oc1ccc(cc1)[N+](=O)[O-] 34a_100000185810_200025704644 [0,1,0,0,0,0|0,0,0]=1 276 B11R1.3 [13CH3]Oc1ccc(cc1)[N+](=O)[O-] 7a_100000185810_200025704644 [0,1,0,0,0,0|0,0,0]=1 277 B11R1.3 [13CH3]Oc1ccc(nc1)[N+](=O)[O-] 7a_100000060138_200025704644 [0,1,0,0,0,0|1,0,0]=2 278 B11R1.3 [13CH3]Sc1ccc(cc1)C(=O)N 62a_100000162191_200025704644 [0,1,0,0,0,0|2,1,0]=4 279 B11R1.3 [13CH3]Sc1ccc(cc1)C(=O)N 62a_200025704644_100000162191 [0,1,0,0,0,0|2,1,0]=4 280 B11R1.19 CC(C)(C)c1ccc(cc1)O 271570a_203496583355_100011215385 [0,1,0,0,0,0|3,0,0]=4 281 B11R1.19 CC(C)(N)c1ccc(cc1)O 271570a_203496583355_100000739617 [0,1,0,0,0,0|3,0,0]=4 282 B11R1.19 CC(C)(O)c1ccc(cc1)O 271570a_203496583355_100000753367 [0,1,0,0,0,0|2,0,1]=4 283 B11R1.19 CC(F)(F)c1ccc(cc1)O 271570a_203496583355_100009817129 [0,1,0,0,0,0|3,0,0]=4 284 B11R1.19 CS(=O)(=O)c1ccc(cc1)O 271570a_203496583355_100000765142 [0,1,0,0,0,0|1,0,1]=3 285 B11R1.19 CS(=O)(=O)c1ccc(cn1)O 271570a_203496583355_100009814649 [0,1,0,0,0,0|2,0,1]=4 286 B11R1.19 CS(=O)(=O)c1ccc(nc1)O 271570a_203496583355_100009816761 [0,1,0,0,0,0|2,0,1]=4 287 B11R1.19 C[Si](C)(C)c1ccc(cc1)O 271570a_203496583355_100009813420 [0,1,0,0,0,0|3,0,0]=4 288 B11R1.19 NS(=O)(=O)c1ccc(cc1)O 271570a_203496583355_100000701559 [0,1,0,0,0,0|1,0,1]=3 289 B11R1.19 NS(=O)(=O)c1ccc(cn1)O 271570a_203496583355_200000753255 [0,1,0,0,0,0|2,0,1]=4 290 B11R1.19 NS(=O)(=O)c1ccc(nc1)O 271570a_203496583355_100000164566 [0,1,0,0,0,0|2,0,1]=4 291 B11R1.19 Oc1ccc(cc1)C(F)(F)F 271570a_203496583355_100000727837 [0,1,0,0,0,0|3,0,0]=4 292 B11R1.21 C=C(C)c1ccc(c(c1)Br)O 271570a_100000694244_100012361655 [0,1,0,0,0,0|3,0,0]=4 293 B11R1.21 C=C(C)c1ccc(c(c1)C)O 271570a_100000694244_100000186361 [0,1,0,0,0,0|3,0,0]=4 294 B11R1.21 C=C(C)c1ccc(c(c1)Cl)O 271570a_100000694244_100012360047 [0,1,0,0,0,0|3,0,0]=4 295 B11R1.21 C=C(C)c1ccc(c(c1)F)O 271570a_100000694244_100000185481 [0,1,0,0,0,0|3,0,0]=4 296 B11R1.21 C=C(C)c1ccc(c(c1)N)O 271570a_100000694244_100000752626 [0,1,0,0,0,0|3,0,0]=4 297 B11R1.21 C=C(C)c1ccc(c(c1)O)O 271570a_100000694244_100009813601 [0,1,0,0,0,0|3,0,0]=4 298 B11R1.21 CC(=O)c1cc(c(cn1)O)C 271570a_203496583355_100011011822 [0,1,0,0,0,0|3,0,0]=4 299 B11R1.21 CC(=O)c1ccc(c(c1)Br)Br 1458a_100012339404_200000210301 [0,1,0,0,0,0|3,0,0]=4 300 B11R1.21 CC(=O)c1ccc(c(c1)Br)C 1458a_100000186397_200000210301 [0,1,0,0,0,0|3,0,0]=4 301 B11R1.21 CC(=O)c1ccc(c(c1)Br)Cl 1458a_100000691181_200000210301 [0,1,0,0,0,0|3,0,0]=4 302 B11R1.21 CC(=O)c1ccc(c(c1)Br)F 1458a_100000760357_200000210301 [0,1,0,0,0,0|3,0,0]=4 303 B11R1.21 CC(=O)c1ccc(c(c1)Br)I 1458a_100000739115_200000210301 [0,1,0,0,0,0|3,0,0]=4 304 B11R1.21 CC(=O)c1ccc(c(c1)Br)O 1458a_100000189672_200000210301 [0,1,0,0,0,0|2,0,0]=3 305 B11R1.21 CC(=O)c1ccc(c(c1)Br)O 271570a_203496583355_100010146554 [0,1,0,0,0,0|2,0,0]=3 306 B11R1.21 CC(=O)c1ccc(c(c1)C)Br 1458a_100000692631_200000210301 [0,1,0,0,0,0|3,0,0]=4 307 B11R1.21 CC(=O)c1ccc(c(c1)C)C 1458a_100000210898_200000210301 [0,1,0,0,0,0|3,0,0]=4 308 B11R1.21 CC(=O)c1ccc(c(c1)C)Cl 1458a_100000686306_200000210301 [0,1,0,0,0,0|3,0,0]=4 309 B11R1.21 CC(=O)c1ccc(c(c1)C)F 1458a_100000751819_200000210301 [0,1,0,0,0,0|3,0,0]=4 310 B11R1.21 CC(=O)c1ccc(c(c1)C)I 1458a_100000751300_200000210301 [0,1,0,0,0,0|3,0,0]=4 311 B11R1.21 CC(=O)c1ccc(c(c1)C)O 1458a_100000685612_200000210301 [0,1,0,0,0,0|2,0,0]=3 312 B11R1.21 CC(=O)c1ccc(c(c1)C)O 271570a_203496583355_100000697869 [0,1,0,0,0,0|2,0,0]=3 313 B11R1.21 CC(=O)c1ccc(c(c1)Cl)Br 1458a_100000687082_200000210301 [0,1,0,0,0,0|3,0,0]=4 314 B11R1.21 CC(=O)c1ccc(c(c1)Cl)C 1458a_100000751740_200000210301 [0,1,0,0,0,0|3,0,0]=4 315 B11R1.21 CC(=O)c1ccc(c(c1)Cl)Cl 1458a_100000210401_200000210301 [0,1,0,0,0,0|3,0,0]=4 316 B11R1.21 CC(=O)c1ccc(c(c1)Cl)F 1458a_100000686462_200000210301 [0,1,0,0,0,0|3,0,0]=4 317 B11R1.21 CC(=O)c1ccc(c(c1)Cl)I 1458a_100000684831_200000210301 [0,1,0,0,0,0|3,0,0]=4 318 B11R1.21 CC(=O)c1ccc(c(c1)Cl)O 1458a_100000212196_200000210301 [0,1,0,0,0,0|2,0,0]=3 319 B11R1.21 CC(=O)c1ccc(c(c1)F)Br 1458a_100000743946_200000210301 [0,1,0,0,0,0|3,0,0]=4 320 B11R1.21 CC(=O)c1ccc(c(c1)F)C 1458a_100000212313_200000210301 [0,1,0,0,0,0|3,0,0]=4 321 B11R1.21 CC(=O)c1ccc(c(c1)F)Cl 1458a_100000743183_200000210301 [0,1,0,0,0,0|3,0,0]=4 322 B11R1.21 CC(=O)c1ccc(c(c1)F)F 1458a_100000209822_200000210301 [0,1,0,0,0,0|3,0,0]=4 323 B11R1.21 CC(=O)c1ccc(c(c1)F)I 1458a_100000062624_200000210301 [0,1,0,0,0,0|3,0,0]=4 324 B11R1.21 CC(=O)c1ccc(c(c1)F)O 1458a_100000185466_200000210301 [0,1,0,0,0,0|2,0,0]=3 325 B11R1.21 CC(=O)c1ccc(c(c1)F)O 271570a_203496583355_100000690002 [0,1,0,0,0,0|2,0,0]=3 326 B11R1.21 CC(=O)c1ccc(c(c1)I)Br 1458a_100012343876_200000210301 [0,1,0,0,0,0|3,0,0]=4 327 B11R1.21 CC(=O)c1ccc(c(c1)I)C 1458a_100000751299_200000210301 [0,1,0,0,0,0|3,0,0]=4 328 B11R1.21 CC(=O)c1ccc(c(c1)I)Cl 1458a_100000739381_200000210301 [0,1,0,0,0,0|3,0,0]=4 329 B11R1.21 CC(=O)c1ccc(c(c1)I)F 1458a_100000688015_200000210301 [0,1,0,0,0,0|3,0,0]=4 330 B11R1.21 CC(=O)c1ccc(c(c1)I)I 1458a_100000725830_200000210301 [0,1,0,0,0,0|3,0,0]=4 331 B11R1.21 CC(=O)c1ccc(c(c1)I)O 1458a_100000037485_200000210301 [0,1,0,0,0,0|2,0,0]=3 332 B11R1.21 CC(=O)c1ccc(c(c1)N)O 271570a_203496583355_100009816534 [0,1,0,0,0,0|2,0,0]=3 333 B11R1.21 CC(=O)c1ccc(c(c1)O)Br 1458a_100000689001_200000210301 [0,1,0,0,0,0|3,0,0]=4 334 B11R1.21 CC(=O)c1ccc(c(c1)O)Br 271570a_203496583355_100010146556 [0,1,0,0,0,0|3,0,0]=4 335 B11R1.21 CC(=O)c1ccc(c(c1)O)C 1458a_100000233767_200000210301 [0,1,0,0,0,0|3,0,0]=4 336 B11R1.21 CC(=O)c1ccc(c(c1)O)C 271570a_203496583355_100011934287 [0,1,0,0,0,0|3,0,0]=4 337 B11R1.21 CC(=O)c1ccc(c(c1)O)Cl 1458a_100011933997_200000210301 [0,1,0,0,0,0|3,0,0]=4 338 B11R1.21 CC(=O)c1ccc(c(c1)O)F 1458a_100000035894_200000210301 [0,1,0,0,0,0|3,0,0]=4 339 B11R1.21 CC(=O)c1ccc(c(c1)O)F 271570a_203496583355_100000239719 [0,1,0,0,0,0|3,0,0]=4 340 B11R1.21 CC(=O)c1ccc(c(c1)O)I 1458a_100000239334_200000210301 [0,1,0,0,0,0|3,0,0]=4 341 B11R1.21 CC(=O)c1ccc(c(c1)O)N 271570a_203496583355_100012029215 [0,1,0,0,0,0|3,0,0]=4 342 B11R1.21 CC(=O)c1ccc(c(c1)O)O 1458a_100000212155_200000210301 [0,1,0,0,0,0|2,0,0]=3 343 B11R1.21 CC(=O)c1ccc(c(c1)O)O 271570a_203496583355_100011772453 [0,1,0,0,0,0|2,0,0]=3 344 B11R1.21 CC(=O)c1cnc(c(c1)C)O 271570a_203496583355_100009864263 [0,1,0,0,0,0|3,0,0]=4 345 B11R1.21 CC(C)c1ccc(c(c1)Br)O 271570a_203496583355_200010212211 [0,1,0,0,0,0|3,0,0]=4 346 B11R1.21 C[C@H](N)c1ccc(c(c1)F)O 271570a_203496583355_100134618348 [0,1,0,0,0,0|3,0,0]=4 347 B11R1.21 Cc1cc(ccc1Br)C(=O)[13CH3] 1458a_100000692631_200025704644 [0,1,0,0,0,0|3,0,0]=4 348 B11R1.21 Cc1cc(ccc1Cl)C(=O)[13CH3] 1458a_100000686306_200025704644 [0,1,0,0,0,0|3,0,0]=4 349 B11R1.21 Cc1cc(ccc1F)C(=O)[13CH3] 1458a_100000751819_200025704644 [0,1,0,0,0,0|3,0,0]=4 350 B11R1.21 Cc1cc(ccc1I)C(=O)[13CH3] 1458a_100000751300_200025704644 [0,1,0,0,0,0|3,0,0]=4 351 B11R1.21 Cc1cc(ccc1O)B(O)O 271570a_203496583355_100010089846 [0,1,0,0,0,0|1,0,2]=4 352 B11R1.21 Cc1cc(ccc1O)C(=O)N 271570a_203496583355_100011218126 [0,1,0,0,0,0|2,0,0]=3 353 B11R1.21 Cc1cc(ccc1O)C(=O)[13CH3] 1458a_100000685612_200025704644 [0,1,0,0,0,0|2,0,0]=3 354 B11R1.21 Cc1cc(ccc1O)N(C)C 271570a_203496583355_100011934168 [0,1,0,0,0,0|2,0,1]=4 355 B11R1.21 Cc1ccc(cc1Br)C(=O)[13CH3] 1458a_100000186397_200025704644 [0,1,0,0,0,0|3,0,0]=4 356 B11R1.21 Cc1ccc(cc1C)C(=O)[13CH3] 1458a_100000210898_200025704644 [0,1,0,0,0,0|3,0,0]=4 357 B11R1.21 Cc1ccc(cc1Cl)C(=O)[13CH3] 1458a_100000751740_200025704644 [0,1,0,0,0,0|3,0,0]=4 358 B11R1.21 Cc1ccc(cc1F)C(=O)[13CH3] 1458a_100000212313_200025704644 [0,1,0,0,0,0|3,0,0]=4 359 B11R1.21 Cc1ccc(cc1I)C(=O)[13CH3] 1458a_100000751299_200025704644 [0,1,0,0,0,0|3,0,0]=4 360 B11R1.21 Cc1ccc(cc1O)C(=O)N 271570a_203496583355_100000186401 [0,1,0,0,0,0|3,0,0]=4 361 B11R1.21 Cc1ccc(cc1O)C(=O)[13CH3] 1458a_100000233767_200025704644 [0,1,0,0,0,0|3,0,0]=4 362 B11R1.21 NC(=O)c1ccc(c(c1)Br)O 271570a_203496583355_100009814583 [0,1,0,0,0,0|2,0,0]=3 363 B11R1.21 NC(=O)c1ccc(c(c1)F)O 271570a_203496583355_100000686215 [0,1,0,0,0,0|2,0,0]=3 364 B11R1.21 NC(=O)c1ccc(c(c1)O)F 271570a_203496583355_100011202321 [0,1,0,0,0,0|3,0,0]=4 365 B11R1.21 NC(=O)c1ccc(c(c1)O)O 271570a_203496583355_100012344895 [0,1,0,0,0,0|2,0,0]=3 366 B11R1.21 OB(O)c1ccc(c(c1)F)O 271570a_203496583355_100009813512 [0,1,0,0,0,0|1,0,2]=4 367 B11R1.21 Oc1ccc(cc1F)C(F)F 271570a_203496583355_100010189893 [0,1,0,0,0,0|3,0,0]=4 368 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Br)Br 1458a_100012339404_200025704644 [0,1,0,0,0,0|3,0,0]=4 369 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Br)Cl 1458a_100000691181_200025704644 [0,1,0,0,0,0|3,0,0]=4 370 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Br)F 1458a_100000760357_200025704644 [0,1,0,0,0,0|3,0,0]=4 371 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Br)I 1458a_100000739115_200025704644 [0,1,0,0,0,0|3,0,0]=4 372 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Br)O 1458a_100000189672_200025704644 [0,1,0,0,0,0|2,0,0]=3 373 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Cl)Br 1458a_100000687082_200025704644 [0,1,0,0,0,0|3,0,0]=4 374 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Cl)Cl 1458a_100000210401_200025704644 [0,1,0,0,0,0|3,0,0]=4 375 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Cl)F 1458a_100000686462_200025704644 [0,1,0,0,0,0|3,0,0]=4 376 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Cl)I 1458a_100000684831_200025704644 [0,1,0,0,0,0|3,0,0]=4 377 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Cl)O 1458a_100000212196_200025704644 [0,1,0,0,0,0|2,0,0]=3 378 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)F)Br 1458a_100000743946_200025704644 [0,1,0,0,0,0|3,0,0]=4 379 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)F)Cl 1458a_100000743183_200025704644 [0,1,0,0,0,0|3,0,0]=4 380 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)F)F 1458a_100000209822_200025704644 [0,1,0,0,0,0|3,0,0]=4 381 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)F)I 1458a_100000062624_200025704644 [0,1,0,0,0,0|3,0,0]=4 382 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)F)O 1458a_100000185466_200025704644 [0,1,0,0,0,0|2,0,0]=3 383 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)I)Br 1458a_100012343876_200025704644 [0,1,0,0,0,0|3,0,0]=4 384 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)I)Cl 1458a_100000739381_200025704644 [0,1,0,0,0,0|3,0,0]=4 385 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)I)F 1458a_100000688015_200025704644 [0,1,0,0,0,0|3,0,0]=4 386 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)I)I 1458a_100000725830_200025704644 [0,1,0,0,0,0|3,0,0]=4 387 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)I)O 1458a_100000037485_200025704644 [0,1,0,0,0,0|2,0,0]=3 388 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)O)Br 1458a_100000689001_200025704644 [0,1,0,0,0,0|3,0,0]=4 389 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)O)Cl 1458a_100011933997_200025704644 [0,1,0,0,0,0|3,0,0]=4 390 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)O)F 1458a_100000035894_200025704644 [0,1,0,0,0,0|3,0,0]=4 391 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)O)I 1458a_100000239334_200025704644 [0,1,0,0,0,0|3,0,0]=4 392 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)O)O 1458a_100000212155_200025704644 [0,1,0,0,0,0|2,0,0]=3 393 B11R1.22 CC(C#N)c1ccc(cc1)O 271570a_203496583355_100000695319 [0,1,0,0,0,0|3,0,0]=4 394 B11R1.22 CCC(=O)c1ccc(cc1)Br 1458a_100000185839_100000210202 [0,1,0,0,0,0|3,0,0]=4 395 B11R1.22 CCC(=O)c1ccc(cc1)C 1458a_100000188618_100000210202 [0,1,0,0,0,0|3,0,0]=4 396 B11R1.22 CCC(=O)c1ccc(cc1)Cl 1458a_100000210187_100000210202 [0,1,0,0,0,0|3,0,0]=4 397 B11R1.22 CCC(=O)c1ccc(cc1)F 1458a_100000187176_100000210202 [0,1,0,0,0,0|3,0,0]=4 398 B11R1.22 CCC(=O)c1ccc(cc1)I 1458a_100000187904_100000210202 [0,1,0,0,0,0|3,0,0]=4 399 B11R1.22 CCC(=O)c1ccc(cc1)O 1458a_100000212099_100000210202 [0,1,0,0,0,0|2,0,0]=3 400 B11R1.22 CCC(=O)c1ccc(cc1)O 271570a_203496583355_100000211647 [0,1,0,0,0,0|2,0,0]=3 401 B11R1.22 CCC(=O)c1ccc(cn1)O 271570a_203496583355_100012351654 [0,1,0,0,0,0|3,0,0]=4 402 B11R1.22 CCC(C)c1ccc(cc1)O 271570a_203496583355_100011221364 [0,1,0,0,0,0|3,0,0]=4 403 B11R1.22 CCC(O)c1ccc(cc1)O 271570a_203496583355_100000246506 [0,1,0,0,0,0|2,0,1]=4 404 B11R1.22 CCN(C)c1ccc(cc1)O 2230a_100011337800_200000210301 [0,1,0,0,0,0|2,0,1]=4 405 B11R1.22 CCN(C)c1ccc(cc1)O 269982a_100000182112_100000204670 [0,1,0,0,0,0|2,0,1]=4 406 B11R1.22 CCN(C)c1ccc(cc1)O 269982a_100011337800_200000210301 [0,1,0,0,0,0|2,0,1]=4 407 B11R1.22 CCN(C)c1ccc(cc1)O 34a_100000182112_100000210202 [0,1,0,0,0,0|2,0,1]=4 408 B11R1.22 CCN(C)c1ccc(cc1)O 34a_100011337800_200000210301 [0,1,0,0,0,0|2,0,1]=4 409 B11R1.22 CCN([13CH3])c1ccc(cc1)O 2230a_100011337800_200025704644 [0,1,0,0,0,0|2,0,1]=4 410 B11R1.22 CCN([13CH3])c1ccc(cc1)O 269982a_100011337800_200025704644 [0,1,0,0,0,0|2,0,1]=4 411 B11R1.22 CCN([13CH3])c1ccc(cc1)O 34a_100011337800_200025704644 [0,1,0,0,0,0|2,0,1]=4 412 B11R1.22 CC[C@H](N)c1ccc(cc1)O 271570a_203496583355_100025736560 [0,1,0,0,0,0|3,0,0]=4 413 B11R1.22 CN(CF)c1ccc(cc1)O 269982a_100000182112_100015361967 [0,1,0,0,0,0|2,0,1]=4 414 B11R1.22 CN(CF)c1ccc(cc1)O 34a_100000182112_100015361967 [0,1,0,0,0,0|2,0,1]=4 415 B11R1.22 CNC(=O)c1ccc(cc1)Br 11a_106832991635_100000185839 [0,1,0,0,0,0|3,0,0]=4 416 B11R1.22 CNC(=O)c1ccc(cc1)Br 1626a_100102657272_100000185839 [0,1,0,0,0,0|3,0,0]=4 417 B11R1.22 CNC(=O)c1ccc(cc1)Br 240690a_100102657272_100000185839 [0,1,0,0,0,0|3,0,0]=4 418 B11R1.22 CNC(=O)c1ccc(cc1)Br 527a_100102657272_100000185839 [0,1,0,0,0,0|3,0,0]=4 419 B11R1.22 CNC(=O)c1ccc(cc1)C 11a_106832991635_100000188618 [0,1,0,0,0,0|3,0,0]=4 420 B11R1.22 CNC(=O)c1ccc(cc1)C 1626a_100102657272_100000188618 [0,1,0,0,0,0|3,0,0]=4 421 B11R1.22 CNC(=O)c1ccc(cc1)C 240690a_100102657272_100000188618 [0,1,0,0,0,0|3,0,0]=4 422 B11R1.22 CNC(=O)c1ccc(cc1)C 527a_100102657272_100000188618 [0,1,0,0,0,0|3,0,0]=4 423 B11R1.22 CNC(=O)c1ccc(cc1)Cl 11a_106832991635_100000210187 [0,1,0,0,0,0|3,0,0]=4 424 B11R1.22 CNC(=O)c1ccc(cc1)Cl 1626a_100102657272_100000210187 [0,1,0,0,0,0|3,0,0]=4 425 B11R1.22 CNC(=O)c1ccc(cc1)Cl 240690a_100102657272_100000210187 [0,1,0,0,0,0|3,0,0]=4 426 B11R1.22 CNC(=O)c1ccc(cc1)Cl 527a_100102657272_100000210187 [0,1,0,0,0,0|3,0,0]=4 427 B11R1.22 CNC(=O)c1ccc(cc1)F 11a_106832991635_100000187176 [0,1,0,0,0,0|3,0,0]=4 428 B11R1.22 CNC(=O)c1ccc(cc1)F 1626a_100102657272_100000187176 [0,1,0,0,0,0|3,0,0]=4 429 B11R1.22 CNC(=O)c1ccc(cc1)F 240690a_100102657272_100000187176 [0,1,0,0,0,0|3,0,0]=4 430 B11R1.22 CNC(=O)c1ccc(cc1)F 527a_100102657272_100000187176 [0,1,0,0,0,0|3,0,0]=4 431 B11R1.22 CNC(=O)c1ccc(cc1)I 11a_106832991635_100000187904 [0,1,0,0,0,0|3,0,0]=4 432 B11R1.22 CNC(=O)c1ccc(cc1)I 1626a_100102657272_100000187904 [0,1,0,0,0,0|3,0,0]=4 433 B11R1.22 CNC(=O)c1ccc(cc1)I 240690a_100102657272_100000187904 [0,1,0,0,0,0|3,0,0]=4 434 B11R1.22 CNC(=O)c1ccc(cc1)I 527a_100102657272_100000187904 [0,1,0,0,0,0|3,0,0]=4 435 B11R1.22 CNC(=O)c1ccc(cc1)O 240690a_100102657272_100000212099 [0,1,0,0,0,0|2,0,0]=3 436 B11R1.22 CNC(=O)c1ccc(cc1)O 271570a_203496583355_100000155074 [0,1,0,0,0,0|2,0,0]=3 437 B11R1.22 CNC(=O)c1ccc(cc1)O 527a_100102657272_100000212099 [0,1,0,0,0,0|2,0,0]=3 438 B11R1.22 CNC(=O)c1ccc(cn1)O 271570a_203496583355_100011781262 [0,1,0,0,0,0|3,0,0]=4 439 B11R1.22 CNC(=O)c1ccc(nc1)O 271570a_203496583355_100000159860 [0,1,0,0,0,0|3,0,0]=4 440 B11R1.22 CNC(C)c1ccc(cc1)O 271570a_203496583355_100000231103 [0,1,0,0,0,0|3,0,0]=4 441 B11R1.22 CN[C@@H](C)c1ccc(cc1)O 2230a_100161106496_200000210301 [0,1,0,0,0,0|3,0,0]=4 442 B11R1.22 COC(=O)c1ccc(cc1)O 271570a_203496583355_100000150774 [0,1,0,0,0,0|1,0,1]=3 443 B11R1.22 COC(=O)c1ccc(cn1)O 271570a_203496583355_100000690920 [0,1,0,0,0,0|2,0,1]=4 444 B11R1.22 COC(=O)c1ccc(nc1)O 271570a_203496583355_100000733799 [0,1,0,0,0,0|2,0,1]=4 445 B11R1.22 COC(C)c1ccc(cc1)O 271570a_203496583355_100010254937 [0,1,0,0,0,0|2,0,1]=4 446 B11R1.22 C[C@H](N[13CH3])c1ccc(cc1)O 2230a_100161106496_200025704644 [0,1,0,0,0,0|3,0,0]=4 447 B11R1.22 Cc1ccc(cc1)C(=O)CF 1458a_100000188618_100015361967 [0,1,0,0,0,0|3,0,0]=4 448 B11R1.22 N#CC(=O)c1ccc(cc1)O 271570a_203496583355_100009994572 [0,1,0,0,0,0|2,0,0]=3 449 B11R1.22 N#CC(N)c1ccc(cc1)O 271570a_203496583355_106722365845 [0,1,0,0,0,0|3,0,0]=4 450 B11R1.22 NC(CO)c1ccc(cc1)O 271570a_203496583355_100000734186 [0,1,0,0,0,0|2,0,1]=4 451 B11R1.22 NCC(=O)c1ccc(cc1)O 271570a_203496583355_100000017248 [0,1,0,0,0,0|2,0,0]=3 452 B11R1.22 NCC(O)c1ccc(cc1)O 271570a_203496583355_100020626992 [0,1,0,0,0,0|2,0,1]=4 453 B11R1.22 NNC(=O)c1ccc(cc1)O 271570a_203496583355_100000183614 [0,1,0,0,0,0|2,0,0]=3 454 B11R1.22 NNC(=O)c1ccc(cn1)O 271570a_203496583355_100011781063 [0,1,0,0,0,0|3,0,0]=4 455 B11R1.22 NNC(=O)c1ccc(nc1)O 271570a_203496583355_100000189807 [0,1,0,0,0,0|3,0,0]=4 456 B11R1.22 O=C(CF)c1ccc(cc1)Br 1458a_100000185839_100015361967 [0,1,0,0,0,0|3,0,0]=4 457 B11R1.22 O=C(CF)c1ccc(cc1)Cl 1458a_100000210187_100015361967 [0,1,0,0,0,0|3,0,0]=4 458 B11R1.22 O=C(CF)c1ccc(cc1)F 1458a_100000187176_100015361967 [0,1,0,0,0,0|3,0,0]=4 459 B11R1.22 O=C(CF)c1ccc(cc1)I 1458a_100000187904_100015361967 [0,1,0,0,0,0|3,0,0]=4 460 B11R1.22 O=C(CF)c1ccc(cc1)O 1458a_100000212099_100015361967 [0,1,0,0,0,0|2,0,0]=3 461 B11R1.22 O=C(CO)c1ccc(cc1)O 271570a_203496583355_100011219529 [0,1,0,0,0,0|1,0,1]=3 462 B11R1.22 O=CC(=O)c1ccc(cc1)O 271570a_203496583355_100000725942 [0,1,0,0,0,0|1,0,1]=3 463 B11R1.22 OCC(O)c1ccc(cc1)O 271570a_203496583355_200012355997 [0,1,0,0,0,0|1,0,2]=4 464 B11R1.166 C=C(C)c1ccc(cc1Br)O 271570a_100000694244_100000701344 [0,1,0,0,0,0|3,0,0]=4 465 B11R1.166 C=C(C)c1ccc(cc1C)O 271570a_100000694244_100000729255 [0,1,0,0,0,0|3,0,0]=4 466 B11R1.166 C=C(C)c1ccc(cc1Cl)O 271570a_100000694244_100000047559 [0,1,0,0,0,0|3,0,0]=4 467 B11R1.166 C=C(C)c1ccc(cc1F)O 271570a_100000694244_100000755031 [0,1,0,0,0,0|3,0,0]=4 468 B11R1.166 C=C(C)c1ccc(cc1N)O 271570a_100000694244_100011999798 [0,1,0,0,0,0|3,0,0]=4 469 B11R1.166 C=C(C)c1ccc(cc1O)O 271570a_100000694244_100009813921 [0,1,0,0,0,0|3,0,0]=4 470 B11R1.166 CC(=O)c1ccc(cc1Br)Br 1458a_100000762965_200000210301 [0,1,0,0,0,0|3,0,0]=4 471 B11R1.166 CC(=O)c1ccc(cc1Br)C 1458a_100000685072_200000210301 [0,1,0,0,0,0|3,0,0]=4 472 B11R1.166 CC(=O)c1ccc(cc1Br)Cl 1458a_100000766353_200000210301 [0,1,0,0,0,0|3,0,0]=4 473 B11R1.166 CC(=O)c1ccc(cc1Br)F 1458a_100000212304_200000210301 [0,1,0,0,0,0|3,0,0]=4 474 B11R1.166 CC(=O)c1ccc(cc1Br)I 1458a_100012360512_200000210301 [0,1,0,0,0,0|3,0,0]=4 475 B11R1.166 CC(=O)c1ccc(cc1Br)O 1458a_100012344906_200000210301 [0,1,0,0,0,0|2,0,0]=3 476 B11R1.166 CC(=O)c1ccc(cc1C)Br 1458a_100000741311_200000210301 [0,1,0,0,0,0|3,0,0]=4 477 B11R1.166 CC(=O)c1ccc(cc1C)C 1458a_100000211164_200000210301 [0,1,0,0,0,0|3,0,0]=4 478 B11R1.166 CC(=O)c1ccc(cc1C)Cl 1458a_100000688705_200000210301 [0,1,0,0,0,0|3,0,0]=4 479 B11R1.166 CC(=O)c1ccc(cc1C)F 1458a_100000686989_200000210301 [0,1,0,0,0,0|3,0,0]=4 480 B11R1.166 CC(=O)c1ccc(cc1C)I 1458a_100010189873_200000210301 [0,1,0,0,0,0|3,0,0]=4 481 B11R1.166 CC(=O)c1ccc(cc1C)O 1458a_100000692822_200000210301 [0,1,0,0,0,0|2,0,0]=3 482 B11R1.166 CC(=O)c1ccc(cc1C)O 271570a_203496583355_100012360112 [0,1,0,0,0,0|2,0,0]=3 483 B11R1.166 CC(=O)c1ccc(cc1Cl)Br 1458a_100000741628_200000210301 [0,1,0,0,0,0|3,0,0]=4 484 B11R1.166 CC(=O)c1ccc(cc1Cl)C 1458a_100000766932_200000210301 [0,1,0,0,0,0|3,0,0]=4 485 B11R1.166 CC(=O)c1ccc(cc1Cl)Cl 1458a_100000185840_200000210301 [0,1,0,0,0,0|3,0,0]=4 486 B11R1.166 CC(=O)c1ccc(cc1Cl)F 1458a_100000211397_200000210301 [0,1,0,0,0,0|3,0,0]=4 487 B11R1.166 CC(=O)c1ccc(cc1Cl)I 1458a_100000751301_200000210301 [0,1,0,0,0,0|3,0,0]=4 488 B11R1.166 CC(=O)c1ccc(cc1Cl)O 1458a_100000702456_200000210301 [0,1,0,0,0,0|2,0,0]=3 489 B11R1.166 CC(=O)c1ccc(cc1F)Br 1458a_100000214689_200000210301 [0,1,0,0,0,0|3,0,0]=4 490 B11R1.166 CC(=O)c1ccc(cc1F)C 1458a_100000766033_200000210301 [0,1,0,0,0,0|3,0,0]=4 491 B11R1.166 CC(=O)c1ccc(cc1F)Cl 1458a_100000212326_200000210301 [0,1,0,0,0,0|3,0,0]=4 492 B11R1.166 CC(=O)c1ccc(cc1F)F 1458a_100000211022_200000210301 [0,1,0,0,0,0|3,0,0]=4 493 B11R1.166 CC(=O)c1ccc(cc1F)I 1458a_100000037189_200000210301 [0,1,0,0,0,0|3,0,0]=4 494 B11R1.166 CC(=O)c1ccc(cc1F)O 1458a_100000689029_200000210301 [0,1,0,0,0,0|2,0,0]=3 495 B11R1.166 CC(=O)c1ccc(cc1F)O 271570a_203496583355_100000690205 [0,1,0,0,0,0|2,0,0]=3 496 B11R1.166 CC(=O)c1ccc(cc1I)Br 1458a_100000751167_200000210301 [0,1,0,0,0,0|3,0,0]=4 497 B11R1.166 CC(=O)c1ccc(cc1I)C 1458a_100009999607_200000210301 [0,1,0,0,0,0|3,0,0]=4 498 B11R1.166 CC(=O)c1ccc(cc1I)Cl 1458a_100000739380_200000210301 [0,1,0,0,0,0|3,0,0]=4 499 B11R1.166 CC(=O)c1ccc(cc1I)F 1458a_100000739341_200000210301 [0,1,0,0,0,0|3,0,0]=4 500 B11R1.166 CC(=O)c1ccc(cc1N)O 271570a_203496583355_100011590516 [0,1,0,0,0,0|2,0,0]=3 501 B11R1.166 CC(=O)c1ccc(cc1O)Br 1458a_100000744433_200000210301 [0,1,0,0,0,0|3,0,0]=4 502 B11R1.166 CC(=O)c1ccc(cc1O)C 1458a_100000212137_200000210301 [0,1,0,0,0,0|3,0,0]=4 503 B11R1.166 CC(=O)c1ccc(cc1O)C 271570a_203496583355_100012353930 [0,1,0,0,0,0|3,0,0]=4 504 B11R1.166 CC(=O)c1ccc(cc1O)Cl 1458a_100000188622_200000210301 [0,1,0,0,0,0|3,0,0]=4 505 B11R1.166 CC(=O)c1ccc(cc1O)F 1458a_100000746061_200000210301 [0,1,0,0,0,0|3,0,0]=4 506 B11R1.166 CC(=O)c1ccc(cc1O)F 271570a_203496583355_100000686192 [0,1,0,0,0,0|3,0,0]=4 507 B11R1.166 CC(=O)c1ccc(cc1O)I 1458a_100000091984_200000210301 [0,1,0,0,0,0|3,0,0]=4 508 B11R1.166 CC(=O)c1ccc(cc1O)O 1458a_100000212172_200000210301 [0,1,0,0,0,0|2,0,0]=3 509 B11R1.166 CC(=O)c1ccc(cc1O)O 271570a_203496583355_100000188348 [0,1,0,0,0,0|2,0,0]=3 510 B11R1.166 CC(=O)c1ccc(cc1O)O 271570a_203496583355_100012340537 [0,1,0,0,0,0|2,0,0]=3 511 B11R1.166 CC(=O)c1ncc(cc1F)O 271570a_203496583355_100000696590 [0,1,0,0,0,0|3,0,0]=4 512 B11R1.166 CC(N)c1ccc(cc1F)O 271570a_203496583355_100000730447 [0,1,0,0,0,0|3,0,0]=4 513 B11R1.166 CN(C)c1ccc(cc1N)O 271570a_203496583355_100000737018 [0,1,0,0,0,0|2,0,1]=4 514 B11R1.166 Cc1cc(ccc1B(O)O)O 271570a_203496583355_100010074995 [0,1,0,0,0,0|1,0,2]=4 515 B11R1.166 Cc1cc(ccc1C(=O)N)O 271570a_203496583355_100011327924 [0,1,0,0,0,0|2,0,0]=3 516 B11R1.166 Cc1cc(ccc1C(=O)[13CH3])Br 1458a_100000741311_200025704644 [0,1,0,0,0,0|3,0,0]=4 517 B11R1.166 Cc1cc(ccc1C(=O)[13CH3])Cl 1458a_100000688705_200025704644 [0,1,0,0,0,0|3,0,0]=4 518 B11R1.166 Cc1cc(ccc1C(=O)[13CH3])F 1458a_100000686989_200025704644 [0,1,0,0,0,0|3,0,0]=4 519 B11R1.166 Cc1cc(ccc1C(=O)[13CH3])I 1458a_100010189873_200025704644 [0,1,0,0,0,0|3,0,0]=4 520 B11R1.166 Cc1cc(ccc1C(=O)[13CH3])O 1458a_100000692822_200025704644 [0,1,0,0,0,0|2,0,0]=3 521 B11R1.166 Cc1cc(ccc1N(C)C)O 269982a_100161107805_200000210301 [0,1,0,0,0,0|2,0,1]=4 522 B11R1.166 Cc1cc(ccc1N(C)C)O 34a_100161107805_200000210301 [0,1,0,0,0,0|2,0,1]=4 523 B11R1.166 Cc1cc(ccc1N(C)[13CH3])O 269982a_100161107805_200025704644 [0,1,0,0,0,0|2,0,1]=4 524 B11R1.166 Cc1cc(ccc1N(C)[13CH3])O 34a_100161107805_200025704644 [0,1,0,0,0,0|2,0,1]=4 525 B11R1.166 Cc1cc(ncc1C(=O)N)O 271570a_203496583355_200134614278 [0,1,0,0,0,0|3,0,0]=4 526 B11R1.166 Cc1ccc(c(c1)Br)C(=O)[13CH3] 1458a_100000685072_200025704644 [0,1,0,0,0,0|3,0,0]=4 527 B11R1.166 Cc1ccc(c(c1)C)C(=O)[13CH3] 1458a_100000211164_200025704644 [0,1,0,0,0,0|3,0,0]=4 528 B11R1.166 Cc1ccc(c(c1)Cl)C(=O)[13CH3] 1458a_100000766932_200025704644 [0,1,0,0,0,0|3,0,0]=4 529 B11R1.166 Cc1ccc(c(c1)F)C(=O)[13CH3] 1458a_100000766033_200025704644 [0,1,0,0,0,0|3,0,0]=4 530 B11R1.166 Cc1ccc(c(c1)I)C(=O)[13CH3] 1458a_100009999607_200025704644 [0,1,0,0,0,0|3,0,0]=4 531 B11R1.166 Cc1ccc(c(c1)O)C(=O)[13CH3] 1458a_100000212137_200025704644 [0,1,0,0,0,0|3,0,0]=4 532 B11R1.166 NC(=O)c1ccc(cc1Br)O 271570a_203496583355_200010146565 [0,1,0,0,0,0|2,0,0]=3 533 B11R1.166 NC(=O)c1ccc(cc1F)O 271570a_203496583355_100000216903 [0,1,0,0,0,0|2,0,0]=3 534 B11R1.166 NC(=O)c1ccc(cc1N)O 271570a_203496583355_100012349972 [0,1,0,0,0,0|2,0,0]=3 535 B11R1.166 NC(=O)c1ccc(cc1O)Br 271570a_203496583355_100009815748 [0,1,0,0,0,0|3,0,0]=4 536 B11R1.166 NC(=O)c1ccc(cc1O)F 271570a_203496583355_100000206404 [0,1,0,0,0,0|3,0,0]=4 537 B11R1.166 NC(=O)c1ccc(cc1O)O 271570a_203496583355_100011550861 [0,1,0,0,0,0|2,0,0]=3 538 B11R1.166 NC(=O)c1ccc(nc1N)O 271570a_203496583355_100009875182 [0,1,0,0,0,0|3,0,0]=4 539 B11R1.166 NC(=O)c1ncc(cc1F)O 271570a_203496583355_200010161073 [0,1,0,0,0,0|3,0,0]=4 540 B11R1.166 NC(=O)c1ncc(cc1N)O 271570a_203496583355_100010235749 [0,1,0,0,0,0|3,0,0]=4 541 B11R1.166 OB(O)c1ccc(cc1F)O 271570a_203496583355_100009813958 [0,1,0,0,0,0|1,0,2]=4 542 B11R1.166 OB(O)c1ccc(cc1O)O 271570a_203496583355_100010158982 [0,1,0,0,0,0|1,0,2]=4 543 B11R1.166 Oc1ccc(c(c1)F)C(F)F 271570a_203496583355_100010169825 [0,1,0,0,0,0|3,0,0]=4 544 B11R1.166 [13CH3]C(=O)c1ccc(cc1Br)Br 1458a_100000762965_200025704644 [0,1,0,0,0,0|3,0,0]=4 545 B11R1.166 [13CH3]C(=O)c1ccc(cc1Br)Cl 1458a_100000766353_200025704644 [0,1,0,0,0,0|3,0,0]=4 546 B11R1.166 [13CH3]C(=O)c1ccc(cc1Br)F 1458a_100000212304_200025704644 [0,1,0,0,0,0|3,0,0]=4 547 B11R1.166 [13CH3]C(=O)c1ccc(cc1Br)I 1458a_100012360512_200025704644 [0,1,0,0,0,0|3,0,0]=4 548 B11R1.166 [13CH3]C(=O)c1ccc(cc1Br)O 1458a_100012344906_200025704644 [0,1,0,0,0,0|2,0,0]=3 549 B11R1.166 [13CH3]C(=O)c1ccc(cc1Cl)Br 1458a_100000741628_200025704644 [0,1,0,0,0,0|3,0,0]=4 550 B11R1.166 [13CH3]C(=O)c1ccc(cc1Cl)Cl 1458a_100000185840_200025704644 [0,1,0,0,0,0|3,0,0]=4 551 B11R1.166 [13CH3]C(=O)c1ccc(cc1Cl)F 1458a_100000211397_200025704644 [0,1,0,0,0,0|3,0,0]=4 552 B11R1.166 [13CH3]C(=O)c1ccc(cc1Cl)I 1458a_100000751301_200025704644 [0,1,0,0,0,0|3,0,0]=4 553 B11R1.166 [13CH3]C(=O)c1ccc(cc1Cl)O 1458a_100000702456_200025704644 [0,1,0,0,0,0|2,0,0]=3 554 B11R1.166 [13CH3]C(=O)c1ccc(cc1F)Br 1458a_100000214689_200025704644 [0,1,0,0,0,0|3,0,0]=4 555 B11R1.166 [13CH3]C(=O)c1ccc(cc1F)Cl 1458a_100000212326_200025704644 [0,1,0,0,0,0|3,0,0]=4 556 B11R1.166 [13CH3]C(=O)c1ccc(cc1F)F 1458a_100000211022_200025704644 [0,1,0,0,0,0|3,0,0]=4 557 B11R1.166 [13CH3]C(=O)c1ccc(cc1F)I 1458a_100000037189_200025704644 [0,1,0,0,0,0|3,0,0]=4 558 B11R1.166 [13CH3]C(=O)c1ccc(cc1F)O 1458a_100000689029_200025704644 [0,1,0,0,0,0|2,0,0]=3 559 B11R1.166 [13CH3]C(=O)c1ccc(cc1I)Br 1458a_100000751167_200025704644 [0,1,0,0,0,0|3,0,0]=4 560 B11R1.166 [13CH3]C(=O)c1ccc(cc1I)Cl 1458a_100000739380_200025704644 [0,1,0,0,0,0|3,0,0]=4 561 B11R1.166 [13CH3]C(=O)c1ccc(cc1I)F 1458a_100000739341_200025704644 [0,1,0,0,0,0|3,0,0]=4 562 B11R1.166 [13CH3]C(=O)c1ccc(cc1O)Br 1458a_100000744433_200025704644 [0,1,0,0,0,0|3,0,0]=4 563 B11R1.166 [13CH3]C(=O)c1ccc(cc1O)Cl 1458a_100000188622_200025704644 [0,1,0,0,0,0|3,0,0]=4 564 B11R1.166 [13CH3]C(=O)c1ccc(cc1O)F 1458a_100000746061_200025704644 [0,1,0,0,0,0|3,0,0]=4 565 B11R1.166 [13CH3]C(=O)c1ccc(cc1O)I 1458a_100000091984_200025704644 [0,1,0,0,0,0|3,0,0]=4 566 B11R1.166 [13CH3]C(=O)c1ccc(cc1O)O 1458a_100000212172_200025704644 [0,1,0,0,0,0|2,0,0]=3 567 B11R2.34 Oc1ccc(cc1)C2CC2 271570a_100011220607_100000185759 [0,0,0,1,0,0|3,0,0]=4 568 B11R2.34 Oc1ccc(cc1)C2CC2 271570a_203496583355_100009820665 [0,0,0,1,0,0|3,0,0]=4 569 B9R1.35 CC(=O)c1cc(cs1)O 271570a_203496583355_100000718618 [0,0,0,0,1,0|3,0,0]=4 570 B9R1.35 CC(=O)c1ccc([nH]1)O 271570a_203496583355_200010494458 [0,0,0,0,1,0|3,0,0]=4 571 B9R1.35 CC(=O)c1ccc(o1)O 271570a_203496583355_100000229899 [0,0,0,0,1,0|3,0,0]=4 572 B9R1.35 CC(=O)c1ccc(s1)O 271570a_203496583355_100000183331 [0,0,0,0,1,0|3,0,0]=4 573 B9R1.35 CC(=O)c1csc(c1)O 271570a_203496583355_200012344231 [0,0,0,0,1,0|3,0,0]=4 574 B9R1.35 NC(=O)c1cc(c[nH]1)O 271570a_203496583355_100000229580 [0,0,0,0,1,0|3,0,0]=4 575 B9R1.35 NC(=O)c1cc(co1)O 271570a_203496583355_200009817131 [0,0,0,0,1,0|3,0,0]=4 576 B9R1.35 NC(=O)c1cc(cs1)O 271570a_203496583355_100009812991 [0,0,0,0,1,0|3,0,0]=4 577 B9R1.35 NC(=O)c1ccc(s1)O 271570a_203496583355_100000162267 [0,0,0,0,1,0|3,0,0]=4 578 B9R1.35 NC(=O)c1csc(c1)O 271570a_203496583355_100000747962 [0,0,0,0,1,0|3,0,0]=4 579 B11R1.20 CC(=Cc1ccc(cc1)O)C 271570a_100102525489_100000185759 [0,0,0,0,0,1|3,0,0]=4 580 B11R1.20 CC(=O)Cc1ccc(cc1)Br 1458a_100000070787_100000189115 [0,0,0,0,0,1|3,0,0]=4 581 B11R1.20 CC(=O)Cc1ccc(cc1)Br 1458a_100000198978_200000210301 [0,0,0,0,0,1|3,0,0]=4 582 B11R1.20 CC(=O)Cc1ccc(cc1)C 1458a_100000070787_100000210814 [0,0,0,0,0,1|3,0,0]=4 583 B11R1.20 CC(=O)Cc1ccc(cc1)C 1458a_100000212244_200000210301 [0,0,0,0,0,1|3,0,0]=4 584 B11R1.20 CC(=O)Cc1ccc(cc1)Cl 1458a_100000070787_100000694040 [0,0,0,0,0,1|3,0,0]=4 585 B11R1.20 CC(=O)Cc1ccc(cc1)Cl 1458a_100000211027_200000210301 [0,0,0,0,0,1|3,0,0]=4 586 B11R1.20 CC(=O)Cc1ccc(cc1)F 1458a_100000070787_100000198546 [0,0,0,0,0,1|3,0,0]=4 587 B11R1.20 CC(=O)Cc1ccc(cc1)F 1458a_100000210951_200000210301 [0,0,0,0,0,1|3,0,0]=4 588 B11R1.20 CC(=O)Cc1ccc(cc1)I 1458a_100000070787_100000189116 [0,0,0,0,0,1|3,0,0]=4 589 B11R1.20 CC(=O)Cc1ccc(cc1)I 1458a_100000688869_200000210301 [0,0,0,0,0,1|3,0,0]=4 590 B11R1.20 CC(=O)Cc1ccc(cc1)O 1458a_100000198540_200000210301 [0,0,0,0,0,1|2,0,0]=3 591 B11R1.20 CC(=O)Cc1ccc(cc1)O 271570a_203496583355_100000691760 [0,0,0,0,0,1|2,0,0]=3 592 B11R1.20 CC(=O)Nc1ccc(cc1)Br 11a_100000210018_100015343762 [0,0,0,0,0,1|3,0,0]=4 593 B11R1.20 CC(=O)Nc1ccc(cc1)Br 1626a_100000210018_100015343762 [0,0,0,0,0,1|3,0,0]=4 594 B11R1.20 CC(=O)Nc1ccc(cc1)Br 22a_100000210018_100000070787 [0,0,0,0,0,1|3,0,0]=4 595 B11R1.20 CC(=O)Nc1ccc(cc1)Br 527a_100000210018_100103153847 [0,0,0,0,0,1|3,0,0]=4 596 B11R1.20 CC(=O)Nc1ccc(cc1)C 11a_100000124888_100015343762 [0,0,0,0,0,1|3,0,0]=4 597 B11R1.20 CC(=O)Nc1ccc(cc1)C 1626a_100000124888_100015343762 [0,0,0,0,0,1|3,0,0]=4 598 B11R1.20 CC(=O)Nc1ccc(cc1)C 22a_100000124888_100000070787 [0,0,0,0,0,1|3,0,0]=4 599 B11R1.20 CC(=O)Nc1ccc(cc1)C 527a_100000124888_100103153847 [0,0,0,0,0,1|3,0,0]=4 600 B11R1.20 CC(=O)Nc1ccc(cc1)Cl 11a_100000210052_100015343762 [0,0,0,0,0,1|3,0,0]=4 601 B11R1.20 CC(=O)Nc1ccc(cc1)Cl 1626a_100000210052_100015343762 [0,0,0,0,0,1|3,0,0]=4 602 B11R1.20 CC(=O)Nc1ccc(cc1)Cl 22a_100000210052_100000070787 [0,0,0,0,0,1|3,0,0]=4 603 B11R1.20 CC(=O)Nc1ccc(cc1)Cl 527a_100000210052_100103153847 [0,0,0,0,0,1|3,0,0]=4 604 B11R1.20 CC(=O)Nc1ccc(cc1)F 11a_100000185862_100015343762 [0,0,0,0,0,1|3,0,0]=4 605 B11R1.20 CC(=O)Nc1ccc(cc1)F 1626a_100000185862_100015343762 [0,0,0,0,0,1|3,0,0]=4 606 B11R1.20 CC(=O)Nc1ccc(cc1)F 22a_100000185862_100000070787 [0,0,0,0,0,1|3,0,0]=4 607 B11R1.20 CC(=O)Nc1ccc(cc1)F 527a_100000185862_100103153847 [0,0,0,0,0,1|3,0,0]=4 608 B11R1.20 CC(=O)Nc1ccc(cc1)I 11a_100000185761_100015343762 [0,0,0,0,0,1|3,0,0]=4 609 B11R1.20 CC(=O)Nc1ccc(cc1)I 1626a_100000185761_100015343762 [0,0,0,0,0,1|3,0,0]=4 610 B11R1.20 CC(=O)Nc1ccc(cc1)I 22a_100000185761_100000070787 [0,0,0,0,0,1|3,0,0]=4 611 B11R1.20 CC(=O)Nc1ccc(cc1)I 527a_100000185761_100103153847 [0,0,0,0,0,1|3,0,0]=4 612 B11R1.20 CC(=O)Nc1ccc(cc1)O 22a_100000185829_100000070787 [0,0,0,0,0,1|2,0,0]=3 613 B11R1.20 CC(=O)Nc1ccc(cc1)O 271570a_203496583355_100000155215 [0,0,0,0,0,1|2,0,0]=3 614 B11R1.20 CC(=O)Nc1ccc(cn1)O 271570a_203496583355_100000193312 [0,0,0,0,0,1|3,0,0]=4 615 B11R1.20 CC(=O)Nc1ccc(nc1)O 271570a_203496583355_100011934715 [0,0,0,0,0,1|3,0,0]=4 616 B11R1.20 CC(=O)Oc1ccc(cc1)O 271570a_203496583355_100000002173 [0,0,0,0,0,1|2,0,0]=3 617 B11R1.20 CC(=O)Sc1ccc(cc1)O 271570a_203496583355_200009995050 [0,0,0,0,0,1|2,0,0]=3 618 B11R1.20 CC(=S)Oc1ccc(cc1)O 271570a_203496583355_200009816735 [0,0,0,0,0,1|2,1,0]=4 619 B11R1.20 CC(C)Cc1ccc(cc1)O 271570a_203496583355_100011221366 [0,0,0,0,0,1|3,0,0]=4 620 B11R1.20 CC(C)Nc1ccc(cc1)O 271570a_203496583355_100000219625 [0,0,0,0,0,1|3,0,0]=4 621 B11R1.20 CC(C)Nc1ccc(cc1)O 34a_100000185829_100000210206 [0,0,0,0,0,1|3,0,0]=4 622 B11R1.20 CC(C)Oc1ccc(cc1)O 271570a_203496583355_100000169947 [0,0,0,0,0,1|3,0,0]=4 623 B11R1.20 CC(C)Sc1ccc(cc1)O 271570a_203496583355_100009811894 [0,0,0,0,0,1|3,0,0]=4 624 B11R1.20 CC(C)Sc1ccc(cc1)O 62a_100000210206_100000185759 [0,0,0,0,0,1|3,0,0]=4 625 B11R1.20 CN(C)Cc1ccc(cc1)O 2230a_100000207500_200000210301 [0,0,0,0,0,1|2,0,1]=4 626 B11R1.20 CN(C)Cc1ccc(cc1)O 269982a_100000207500_200000210301 [0,0,0,0,0,1|2,0,1]=4 627 B11R1.20 CN(C)Cc1ccc(cc1)O 271570a_203496583355_100000174694 [0,0,0,0,0,1|2,0,1]=4 628 B11R1.20 CN([13CH3])Cc1ccc(cc1)O 2230a_100000207500_200025704644 [0,0,0,0,0,1|2,0,1]=4 629 B11R1.20 CN([13CH3])Cc1ccc(cc1)O 269982a_100000207500_200025704644 [0,0,0,0,0,1|2,0,1]=4 630 B11R1.20 Cc1ccc(cc1)CC(=O)[13CH3] 1458a_100000212244_200025704644 [0,0,0,0,0,1|3,0,0]=4 631 B11R1.20 NC(=O)Cc1ccc(cc1)O 271570a_203496583355_100000162331 [0,0,0,0,0,1|2,0,0]=3 632 B11R1.20 NC(=O)Cc1ccc(cn1)O 271570a_203496583355_200010888337 [0,0,0,0,0,1|3,0,0]=4 633 B11R1.20 NC(=O)Cc1ccc(nc1)O 271570a_203496583355_200000071513 [0,0,0,0,0,1|3,0,0]=4 634 B11R1.20 NC(=O)Nc1ccc(cc1)O 271570a_203496583355_100000198584 [0,0,0,0,0,1|2,0,0]=3 635 B11R1.20 Oc1ccc(cc1)C=C(Br)Br 271570a_203496583355_200013992848 [0,0,0,0,0,1|3,0,0]=4 636 B11R1.20 Oc1ccc(cc1)C=C(F)F 271570a_203496583355_200009816947 [0,0,0,0,0,1|3,0,0]=4 637 B11R1.20 Oc1ccc(cc1)OC(F)F 271570a_203496583355_100000179047 [0,0,0,0,0,1|3,0,0]=4 638 B11R1.20 Oc1ccc(cc1)SC(F)F 271570a_203496583355_100000178776 [0,0,0,0,0,1|3,0,0]=4 639 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)Br 1458a_100000198978_200025704644 [0,0,0,0,0,1|3,0,0]=4 640 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)Cl 1458a_100000211027_200025704644 [0,0,0,0,0,1|3,0,0]=4 641 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)F 1458a_100000210951_200025704644 [0,0,0,0,0,1|3,0,0]=4 642 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)I 1458a_100000688869_200025704644 [0,0,0,0,0,1|3,0,0]=4 643 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)O 1458a_100000198540_200025704644 [0,0,0,0,0,1|2,0,0]=3 644 B8R1.2 C=Cc1ccccc1 271570a_100011290941_100000210277 [2,0,0,0,0,0|2,0,0]=4 645 B8R1.2 CNc1ccccc1 34a_100000106764_200000210301 [2,0,0,0,0,0|1,0,1]=4 646 B8R1.2 COc1ccccc1 34a_100000210340_200000210301 [2,0,0,0,0,0|2,0,0]=4 647 B8R1.2 COc1ccccc1 7a_100000210340_200000210301 [2,0,0,0,0,0|2,0,0]=4 648 B8R1.2 CSc1ccccc1 62a_100000719477_200000210301 [2,0,0,0,0,0|2,0,0]=4 649 B8R1.2 CSc1ccccc1 62a_200000210301_100000041952 [2,0,0,0,0,0|2,0,0]=4 650 B8R1.2 [13CH3]Nc1ccccc1 34a_100000106764_200025704644 [2,0,0,0,0,0|1,0,1]=4 651 B8R1.2 [13CH3]Oc1ccccc1 34a_100000210340_200025704644 [2,0,0,0,0,0|2,0,0]=4 652 B8R1.2 [13CH3]Oc1ccccc1 7a_100000210340_200025704644 [2,0,0,0,0,0|2,0,0]=4 653 B8R1.2 [13CH3]Sc1ccccc1 62a_100000719477_200025704644 [2,0,0,0,0,0|2,0,0]=4 654 B8R1.2 [13CH3]Sc1ccccc1 62a_200025704644_100000041952 [2,0,0,0,0,0|2,0,0]=4 655 B8R1.3 Cc1ccc(cc1)O 271570a_203496583355_100000186775 [2,0,0,0,0,0|1,0,0]=3 656 B8R1.3 Cc1ccc(cn1)O 271570a_203496583355_100000751577 [2,0,0,0,0,0|2,0,0]=4 657 B8R1.3 Cc1ccc(nc1)O 271570a_203496583355_100000754016 [2,0,0,0,0,0|2,0,0]=4 658 B8R1.3 Nc1ccc(cc1)O 271570a_203496583355_100000185761 [2,0,0,0,0,0|0,0,1]=3 659 B8R1.3 Nc1ccc(cn1)O 271570a_203496583355_100000187370 [2,0,0,0,0,0|1,0,1]=4 660 B8R1.3 Nc1ccc(nc1)O 271570a_203496583355_100000744251 [2,0,0,0,0,0|1,0,1]=4 661 B8R1.3 O=c1ccc(c[nH]1)O 271570a_203496583355_100000212171 [2,0,0,0,0,0|1,0,0]=3 662 B8R1.3 O=c1ccc(n[nH]1)O 271570a_203496583355_100009820020 [2,0,0,0,0,0|2,0,0]=4 663 B8R1.3 O=c1ncc(c[nH]1)O 271570a_203496583355_102495366499 [2,0,0,0,0,0|2,0,0]=4 664 B8R1.3 Oc1ccc(cc1)Br 271570a_203496583355_100000752885 [2,0,0,0,0,0|1,0,0]=3 665 B8R1.3 Oc1ccc(cc1)Cl 271570a_203496583355_100000755918 [2,0,0,0,0,0|1,0,0]=3 666 B8R1.3 Oc1ccc(cc1)F 271570a_203496583355_100000211213 [2,0,0,0,0,0|1,0,0]=3 667 B8R1.3 Oc1ccc(cc1)O 271570a_203496583355_100000185759 [2,0,0,0,0,0|0,0,1]=3 668 B8R1.3 Oc1ccc(cn1)Br 271570a_203496583355_100000686858 [2,0,0,0,0,0|2,0,0]=4 669 B8R1.3 Oc1ccc(cn1)Cl 271570a_203496583355_100011356976 [2,0,0,0,0,0|2,0,0]=4 670 B8R1.3 Oc1ccc(cn1)F 271570a_203496583355_100000744514 [2,0,0,0,0,0|2,0,0]=4 671 B8R1.3 Oc1ccc(nc1)Br 271570a_203496583355_100009814638 [2,0,0,0,0,0|2,0,0]=4 672 B8R1.3 Oc1ccc(nc1)Cl 271570a_203496583355_100000034144 [2,0,0,0,0,0|2,0,0]=4 673 B8R1.3 Oc1ccc(nc1)F 271570a_203496583355_100000748661 [2,0,0,0,0,0|2,0,0]=4 674 B8R1.3 Oc1ccc(nc1)O 271570a_203496583355_100000685995 [2,0,0,0,0,0|1,0,1]=4 675 B8R1.3 [O-][n+]1ccc(cc1)O 271570a_203496583355_100000039755 [2,0,0,0,0,0|1,0,0]=3 676 B10R1.1 C/C=C/c1ccc(cc1)O 271570a_203496583355_100016259036 [1,1,0,0,0,0|2,0,0]=4 677 B10R1.1 C=C=Cc1ccc(cc1)O 271570a_100015277604_100000185759 [1,1,0,0,0,0|2,0,0]=4 678 B10R1.1 CC=Cc1ccc(cc1)O 271570a_100016259895_100000185759 [1,1,0,0,0,0|2,0,0]=4 679 B10R1.1 CCCc1ccc(cc1)O 271570a_203496583355_100000750032 [1,1,0,0,0,0|2,0,0]=4 680 B10R1.1 CCNc1ccc(cc1)O 271570a_203496583355_100000219632 [1,1,0,0,0,0|1,0,1]=4 681 B10R1.1 CCNc1ccc(cc1)O 34a_100000185829_100000210202 [1,1,0,0,0,0|1,0,1]=4 682 B10R1.1 CCOc1ccc(cc1)O 271570a_203496583355_100000169946 [1,1,0,0,0,0|2,0,0]=4 683 B10R1.1 CCSc1ccc(cc1)O 271570a_203496583355_200009811893 [1,1,0,0,0,0|2,0,0]=4 684 B10R1.1 CCSc1ccc(cc1)O 62a_100000210202_100000185759 [1,1,0,0,0,0|2,0,0]=4 685 B10R1.1 CNCc1ccc(cc1)O 271570a_203496583355_100000180866 [1,1,0,0,0,0|1,0,1]=4 686 B10R1.1 CNCc1ccc(cc1)O 34a_100000185549_200000210301 [1,1,0,0,0,0|1,0,1]=4 687 B10R1.1 COCc1ccc(cc1)O 271570a_203496583355_100011493685 [1,1,0,0,0,0|1,0,1]=4 688 B10R1.1 N#CCc1ccc(cc1)O 271570a_203496583355_100011217881 [1,1,0,0,0,0|2,0,0]=4 689 B10R1.1 N#CNc1ccc(cc1)O 271570a_203496583355_100011685341 [1,1,0,0,0,0|1,0,1]=4 690 B10R1.1 NCCc1ccc(cc1)O 271570a_203496583355_100000755846 [1,1,0,0,0,0|2,0,0]=4 691 B10R1.1 NNCc1ccc(cc1)O 271570a_203496583355_100016993955 [1,1,0,0,0,0|1,0,1]=4 692 B10R1.1 O=CCc1ccc(cc1)O 271570a_203496583355_100011361690 [1,1,0,0,0,0|1,0,0]=3 693 B10R1.1 OCCc1ccc(cc1)O 271570a_203496583355_100000766406 [1,1,0,0,0,0|1,0,1]=4 694 B10R1.1 Oc1ccc(cc1)/C=C/Br 271570a_203496583355_200016255901 [1,1,0,0,0,0|2,0,0]=4 695 B10R1.1 Oc1ccc(cc1)NCF 34a_100000185829_100015361967 [1,1,0,0,0,0|1,0,1]=4 696 B10R1.1 Oc1ccc(cc1)SCF 62a_100015361967_100000185759 [1,1,0,0,0,0|2,0,0]=4 697 B10R1.1 [13CH3]NCc1ccc(cc1)O 34a_100000185549_200025704644 [1,1,0,0,0,0|1,0,1]=4 698 B10R1.1 [N-]=[N+]=Nc1ccc(cc1)O 271570a_203496583355_100000735661 [1,1,0,0,0,0|1,0,1]=4 699 B10R1.3 C=Cc1ccc(cc1)C=O 271570a_100011290941_100000186029 [1,1,0,0,0,0|2,0,0]=4 700 B10R1.3 C=Cc1ccc(cc1)CO 271570a_100011290941_100000690907 [1,1,0,0,0,0|2,0,0]=4 701 B10R1.3 C=Cc1ccc(cc1)OC 271570a_100011290941_100000171711 [1,1,0,0,0,0|2,0,0]=4 702 B10R1.3 C=Cc1ccc(cc1)OC 34a_100000189437_200000210301 [1,1,0,0,0,0|2,0,0]=4 703 B10R1.3 C=Cc1ccc(cc1)OC 7a_100000189437_200000210301 [1,1,0,0,0,0|2,0,0]=4 704 B10R1.3 C=Cc1ccc(cc1)O[13CH3] 34a_100000189437_200025704644 [1,1,0,0,0,0|2,0,0]=4 705 B10R1.3 C=Cc1ccc(cc1)O[13CH3] 7a_100000189437_200025704644 [1,1,0,0,0,0|2,0,0]=4 706 B10R1.3 CCc1ccc(cc1)OC 34a_100000211359_200000210301 [1,1,0,0,0,0|2,0,0]=4 707 B10R1.3 CCc1ccc(cc1)OC 7a_100000211359_200000210301 [1,1,0,0,0,0|2,0,0]=4 708 B10R1.3 CCc1ccc(cc1)O[13CH3] 34a_100000211359_200025704644 [1,1,0,0,0,0|2,0,0]=4 709 B10R1.3 CCc1ccc(cc1)O[13CH3] 7a_100000211359_200025704644 [1,1,0,0,0,0|2,0,0]=4 710 B10R1.3 CNc1ccc(cc1)CO 2230a_100011215238_200000210301 [1,1,0,0,0,0|1,0,1]=4 711 B10R1.3 CNc1ccc(cc1)CO 34a_100011215238_200000210301 [1,1,0,0,0,0|1,0,1]=4 712 B10R1.3 CNc1ccc(cc1)OC 34a_100000182112_200000210301 [1,1,0,0,0,0|1,0,1]=4 713 B10R1.3 CNc1ccc(cc1)OC 34a_100000184247_200000210301 [1,1,0,0,0,0|1,0,1]=4 714 B10R1.3 CNc1ccc(cc1)O[13CH3] 34a_100000182112_200025704644 [1,1,0,0,0,0|1,0,1]=4 715 B10R1.3 COc1ccc(cc1)C#N 34a_100000210344_200000210301 [1,1,0,0,0,0|2,0,0]=4 716 B10R1.3 COc1ccc(cc1)C#N 7a_100000210344_200000210301 [1,1,0,0,0,0|2,0,0]=4 717 B10R1.3 COc1ccc(cc1)CN 34a_100000185549_200000210301 [1,1,0,0,0,0|2,0,0]=4 718 B10R1.3 COc1ccc(cc1)CO 34a_100000211755_200000210301 [1,1,0,0,0,0|1,0,1]=4 719 B10R1.3 COc1ccc(cc1)N[13CH3] 34a_100000184247_200025704644 [1,1,0,0,0,0|1,0,1]=4 720 B10R1.3 COc1ccc(cc1)OC 34a_100000210503_200000210301 [1,1,0,0,0,0|2,0,0]=4 721 B10R1.3 COc1ccc(cc1)O[13CH3] 34a_100000210503_200025704644 [1,1,0,0,0,0|2,0,0]=4 722 B10R1.3 COc1ccc(cc1)SC 34a_100000211864_200000210301 [1,1,0,0,0,0|2,0,0]=4 723 B10R1.3 COc1ccc(cc1)SC 62a_200000210301_100000171711 [1,1,0,0,0,0|2,0,0]=4 724 B10R1.3 COc1ccc(cc1)S[13CH3] 62a_200025704644_100000171711 [1,1,0,0,0,0|2,0,0]=4 725 B10R1.3 CSc1ccc(cc1)C=O 62a_100000188517_200000210301 [1,1,0,0,0,0|1,1,0]=4 726 B10R1.3 CSc1ccc(cc1)C=O 62a_200000210301_100000188517 [1,1,0,0,0,0|1,1,0]=4 727 B10R1.3 CSc1ccc(cc1)CO 62a_100000690907_200000210301 [1,1,0,0,0,0|2,0,0]=4 728 B10R1.3 CSc1ccc(cc1)CO 62a_200000210301_100000690907 [1,1,0,0,0,0|2,0,0]=4 729 B10R1.3 CSc1ccc(cc1)O[13CH3] 34a_100000211864_200025704644 [1,1,0,0,0,0|2,0,0]=4 730 B10R1.3 [13CH3]Nc1ccc(cc1)CO 2230a_100011215238_200025704644 [1,1,0,0,0,0|1,0,1]=4 731 B10R1.3 [13CH3]Nc1ccc(cc1)CO 34a_100011215238_200025704644 [1,1,0,0,0,0|1,0,1]=4 732 B10R1.3 [13CH3]Oc1ccc(cc1)C#N 34a_100000210344_200025704644 [1,1,0,0,0,0|2,0,0]=4 733 B10R1.3 [13CH3]Oc1ccc(cc1)C#N 7a_100000210344_200025704644 [1,1,0,0,0,0|2,0,0]=4 734 B10R1.3 [13CH3]Oc1ccc(cc1)CN 34a_100000185549_200025704644 [1,1,0,0,0,0|2,0,0]=4 735 B10R1.3 [13CH3]Oc1ccc(cc1)CO 34a_100000211755_200025704644 [1,1,0,0,0,0|1,0,1]=4 736 B10R1.3 [13CH3]Sc1ccc(cc1)C=O 62a_100000188517_200025704644 [1,1,0,0,0,0|1,1,0]=4 737 B10R1.3 [13CH3]Sc1ccc(cc1)C=O 62a_200025704644_100000188517 [1,1,0,0,0,0|1,1,0]=4 738 B10R1.3 [13CH3]Sc1ccc(cc1)CO 62a_100000690907_200025704644 [1,1,0,0,0,0|2,0,0]=4 739 B10R1.3 [13CH3]Sc1ccc(cc1)CO 62a_200025704644_100000690907 [1,1,0,0,0,0|2,0,0]=4 740 B10R1.25 C=Cc1ccc(cc1Br)O 271570a_100011290941_100000701344 [1,1,0,0,0,0|2,0,0]=4 741 B10R1.25 C=Cc1ccc(cc1C)O 271570a_100011290941_100000729255 [1,1,0,0,0,0|2,0,0]=4 742 B10R1.25 C=Cc1ccc(cc1Cl)O 271570a_100011290941_100000047559 [1,1,0,0,0,0|2,0,0]=4 743 B10R1.25 C=Cc1ccc(cc1F)O 271570a_100011290941_100000755031 [1,1,0,0,0,0|2,0,0]=4 744 B10R1.25 C=Cc1ccc(cc1N)O 271570a_100011290941_100011999798 [1,1,0,0,0,0|2,0,0]=4 745 B10R1.25 C=Cc1ccc(cc1O)O 271570a_100011290941_100009813921 [1,1,0,0,0,0|2,0,0]=4 746 B10R1.25 CCc1ccc(cc1F)O 271570a_203496583355_200010071577 [1,1,0,0,0,0|2,0,0]=4 747 B10R1.25 CCc1ccc(cc1N)O 271570a_203496583355_100012354963 [1,1,0,0,0,0|2,0,0]=4 748 B10R1.25 CNc1ccc(cc1Br)O 34a_100012001276_200000210301 [1,1,0,0,0,0|1,0,1]=4 749 B10R1.25 CNc1ccc(cc1C)O 271570a_203496583355_100000221803 [1,1,0,0,0,0|1,0,1]=4 750 B10R1.25 CNc1ccc(cc1C)O 34a_100000756630_200000210301 [1,1,0,0,0,0|1,0,1]=4 751 B10R1.25 CNc1ccc(cc1Cl)O 34a_100011215599_200000210301 [1,1,0,0,0,0|1,0,1]=4 752 B10R1.25 CNc1ccc(cc1F)O 271570a_203496583355_100000743884 [1,1,0,0,0,0|1,0,1]=4 753 B10R1.25 CNc1ccc(cc1F)O 34a_100000759473_200000210301 [1,1,0,0,0,0|1,0,1]=4 754 B10R1.25 CNc1ccc(cc1I)O 34a_100010084370_200000210301 [1,1,0,0,0,0|1,0,1]=4 755 B10R1.25 CNc1ccc(cc1N)O 271570a_203496583355_100000741790 [1,1,0,0,0,0|1,0,1]=4 756 B10R1.25 CNc1ccc(cc1O)O 34a_100000106777_200000210301 [1,1,0,0,0,0|1,0,1]=4 757 B10R1.25 COc1ccc(cc1Br)O 271570a_203496583355_100011249507 [1,1,0,0,0,0|2,0,0]=4 758 B10R1.25 COc1ccc(cc1C)O 271570a_203496583355_100011219705 [1,1,0,0,0,0|2,0,0]=4 759 B10R1.25 COc1ccc(cc1Cl)O 271570a_203496583355_100012355395 [1,1,0,0,0,0|2,0,0]=4 760 B10R1.25 COc1ccc(cc1F)O 271570a_203496583355_100000185480 [1,1,0,0,0,0|2,0,0]=4 761 B10R1.25 COc1ccc(cc1N)O 271570a_203496583355_100000743470 [1,1,0,0,0,0|2,0,0]=4 762 B10R1.25 COc1ccc(cc1O)O 271570a_203496583355_100009816560 [1,1,0,0,0,0|2,0,0]=4 763 B10R1.25 COc1ccc(cc1O)O 271570a_203496583355_100010084122 [1,1,0,0,0,0|2,0,0]=4 764 B10R1.25 CSc1ccc(cc1Br)O 62a_100000701344_200000210301 [1,1,0,0,0,0|2,0,0]=4 765 B10R1.25 CSc1ccc(cc1Br)O 62a_200000210301_100000701344 [1,1,0,0,0,0|2,0,0]=4 766 B10R1.25 CSc1ccc(cc1C)O 62a_200000210301_100000690111 [1,1,0,0,0,0|2,0,0]=4 767 B10R1.25 CSc1ccc(cc1Cl)O 271570a_203496583355_206447510565 [1,1,0,0,0,0|2,0,0]=4 768 B10R1.25 CSc1ccc(cc1Cl)O 62a_100000047559_200000210301 [1,1,0,0,0,0|2,0,0]=4 769 B10R1.25 CSc1ccc(cc1Cl)O 62a_200000210301_100000047559 [1,1,0,0,0,0|2,0,0]=4 770 B10R1.25 CSc1ccc(cc1F)O 271570a_203496583355_100010161220 [1,1,0,0,0,0|2,0,0]=4 771 B10R1.25 CSc1ccc(cc1F)O 62a_100000755031_200000210301 [1,1,0,0,0,0|2,0,0]=4 772 B10R1.25 CSc1ccc(cc1F)O 62a_200000210301_100000755031 [1,1,0,0,0,0|2,0,0]=4 773 B10R1.25 CSc1ccc(cc1N)O 62a_100011999798_200000210301 [1,1,0,0,0,0|2,0,0]=4 774 B10R1.25 CSc1ccc(cc1N)O 62a_200000210301_100011999798 [1,1,0,0,0,0|2,0,0]=4 775 B10R1.25 CSc1ccc(cc1O)O 62a_200000210301_100009813921 [1,1,0,0,0,0|2,0,0]=4 776 B10R1.25 Cc1cc(ccc1C#N)O 271570a_203496583355_100000687762 [1,1,0,0,0,0|2,0,0]=4 777 B10R1.25 Cc1cc(ccc1C=O)O 271570a_203496583355_100000687586 [1,1,0,0,0,0|1,0,0]=3 778 B10R1.25 Cc1cc(ccc1CF)O 271570a_203496583355_200010711859 [1,1,0,0,0,0|2,0,0]=4 779 B10R1.25 Cc1cc(ccc1CN)O 271570a_203496583355_100000753881 [1,1,0,0,0,0|2,0,0]=4 780 B10R1.25 Cc1cc(ccc1CO)O 271570a_203496583355_100000748258 [1,1,0,0,0,0|1,0,1]=4 781 B10R1.25 Cc1cc(ccc1NN)O 271570a_203496583355_100000751375 [1,1,0,0,0,0|1,0,1]=4 782 B10R1.25 Cc1cc(ccc1N[13CH3])O 34a_100000756630_200025704644 [1,1,0,0,0,0|1,0,1]=4 783 B10R1.25 Cc1cc(ccc1S[13CH3])O 62a_200025704644_100000690111 [1,1,0,0,0,0|2,0,0]=4 784 B10R1.25 Cc1cc(cnc1C=O)O 271570a_203496583355_100010185443 [1,1,0,0,0,0|2,0,0]=4 785 B10R1.25 Cc1cc(ncc1C=O)O 271570a_203496583355_100000085382 [1,1,0,0,0,0|2,0,0]=4 786 B10R1.25 Cc1ccc(c(c1)O)C=O 271570a_203496583355_100000692596 [1,1,0,0,0,0|2,0,0]=4 787 B10R1.25 Cc1nc(ccc1C=O)O 271570a_203496583355_100000050599 [1,1,0,0,0,0|2,0,0]=4 788 B10R1.25 N#Cc1ccc(cc1Br)O 271570a_203496583355_100012349582 [1,1,0,0,0,0|2,0,0]=4 789 B10R1.25 N#Cc1ccc(cc1Cl)O 271570a_203496583355_100012349662 [1,1,0,0,0,0|2,0,0]=4 790 B10R1.25 N#Cc1ccc(cc1F)O 271570a_203496583355_100000037869 [1,1,0,0,0,0|2,0,0]=4 791 B10R1.25 N#Cc1ccc(cc1N)O 271570a_203496583355_100000699244 [1,1,0,0,0,0|2,0,0]=4 792 B10R1.25 N#Cc1ccc(cc1O)O 271570a_203496583355_100011934713 [1,1,0,0,0,0|2,0,0]=4 793 B10R1.25 N#Cc1ccc(cc1O)O 271570a_203496583355_100012184851 [1,1,0,0,0,0|2,0,0]=4 794 B10R1.25 NCc1ccc(cc1F)O 271570a_203496583355_100000754580 [1,1,0,0,0,0|2,0,0]=4 795 B10R1.25 NNc1ccc(cc1F)O 271570a_203496583355_100000751572 [1,1,0,0,0,0|1,0,1]=4 796 B10R1.25 Nc1cc(ccc1C=O)O 271570a_203496583355_100009814810 [1,1,0,0,0,0|1,0,0]=3 797 B10R1.25 Nc1cc(ccc1CO)O 271570a_203496583355_100000718831 [1,1,0,0,0,0|1,0,1]=4 798 B10R1.25 O=Cc1ccc(cc1Br)O 271570a_203496583355_100010185650 [1,1,0,0,0,0|1,0,0]=3 799 B10R1.25 O=Cc1ccc(cc1Cl)O 271570a_203496583355_100000727542 [1,1,0,0,0,0|1,0,0]=3 800 B10R1.25 O=Cc1ccc(cc1F)O 271570a_203496583355_100000211676 [1,1,0,0,0,0|1,0,0]=3 801 B10R1.25 O=Cc1ccc(cc1O)Br 271570a_203496583355_100010146562 [1,1,0,0,0,0|2,0,0]=4 802 B10R1.25 O=Cc1ccc(cc1O)F 271570a_203496583355_100000752949 [1,1,0,0,0,0|2,0,0]=4 803 B10R1.25 O=Cc1ccc(cc1O)O 271570a_203496583355_100011236494 [1,1,0,0,0,0|1,0,0]=3 804 B10R1.25 O=Cc1ccc(cc1O)O 271570a_203496583355_100011277552 [1,1,0,0,0,0|1,0,0]=3 805 B10R1.25 O=Cc1ccc(nc1F)O 271570a_203496583355_100010064369 [1,1,0,0,0,0|2,0,0]=4 806 B10R1.25 O=Cc1ncc(cc1F)O 271570a_203496583355_100010180630 [1,1,0,0,0,0|2,0,0]=4 807 B10R1.25 OCc1ccc(cc1Br)O 271570a_203496583355_100010240206 [1,1,0,0,0,0|1,0,1]=4 808 B10R1.25 OCc1ccc(cc1F)O 271570a_203496583355_100011191541 [1,1,0,0,0,0|1,0,1]=4 809 B10R1.25 OCc1ccc(cc1O)O 271570a_203496583355_100000071718 [1,1,0,0,0,0|1,0,1]=4 810 B10R1.25 OCc1ccc(cc1O)O 271570a_203496583355_100010146404 [1,1,0,0,0,0|1,0,1]=4 811 B10R1.25 [13CH3]Nc1ccc(cc1Br)O 34a_100012001276_200025704644 [1,1,0,0,0,0|1,0,1]=4 812 B10R1.25 [13CH3]Nc1ccc(cc1Cl)O 34a_100011215599_200025704644 [1,1,0,0,0,0|1,0,1]=4 813 B10R1.25 [13CH3]Nc1ccc(cc1F)O 34a_100000759473_200025704644 [1,1,0,0,0,0|1,0,1]=4 814 B10R1.25 [13CH3]Nc1ccc(cc1I)O 34a_100010084370_200025704644 [1,1,0,0,0,0|1,0,1]=4 815 B10R1.25 [13CH3]Nc1ccc(cc1O)O 34a_100000106777_200025704644 [1,1,0,0,0,0|1,0,1]=4 816 B10R1.25 [13CH3]Sc1ccc(cc1Br)O 62a_100000701344_200025704644 [1,1,0,0,0,0|2,0,0]=4 817 B10R1.25 [13CH3]Sc1ccc(cc1Br)O 62a_200025704644_100000701344 [1,1,0,0,0,0|2,0,0]=4 818 B10R1.25 [13CH3]Sc1ccc(cc1Cl)O 62a_100000047559_200025704644 [1,1,0,0,0,0|2,0,0]=4 819 B10R1.25 [13CH3]Sc1ccc(cc1Cl)O 62a_200025704644_100000047559 [1,1,0,0,0,0|2,0,0]=4 820 B10R1.25 [13CH3]Sc1ccc(cc1F)O 62a_100000755031_200025704644 [1,1,0,0,0,0|2,0,0]=4 821 B10R1.25 [13CH3]Sc1ccc(cc1F)O 62a_200025704644_100000755031 [1,1,0,0,0,0|2,0,0]=4 822 B10R1.25 [13CH3]Sc1ccc(cc1N)O 62a_100011999798_200025704644 [1,1,0,0,0,0|2,0,0]=4 823 B10R1.25 [13CH3]Sc1ccc(cc1N)O 62a_200025704644_100011999798 [1,1,0,0,0,0|2,0,0]=4 824 B10R1.25 [13CH3]Sc1ccc(cc1O)O 62a_200025704644_100009813921 [1,1,0,0,0,0|2,0,0]=4 825 B10R1.176 C=Cc1ccc(c(c1)Br)O 271570a_100011290941_100012361655 [1,1,0,0,0,0|2,0,0]=4 826 B10R1.176 C=Cc1ccc(c(c1)C)O 271570a_100011290941_100000186361 [1,1,0,0,0,0|2,0,0]=4 827 B10R1.176 C=Cc1ccc(c(c1)Cl)O 271570a_100011290941_100012360047 [1,1,0,0,0,0|2,0,0]=4 828 B10R1.176 C=Cc1ccc(c(c1)F)O 271570a_100011290941_100000185481 [1,1,0,0,0,0|2,0,0]=4 829 B10R1.176 C=Cc1ccc(c(c1)N)O 271570a_100011290941_100000752626 [1,1,0,0,0,0|2,0,0]=4 830 B10R1.176 C=Cc1ccc(c(c1)O)O 271570a_100011290941_100009813601 [1,1,0,0,0,0|2,0,0]=4 831 B10R1.176 CCc1ccc(c(c1)Br)O 271570a_203496583355_200009997437 [1,1,0,0,0,0|2,0,0]=4 832 B10R1.176 CCc1ccc(c(c1)F)O 271570a_203496583355_200010339503 [1,1,0,0,0,0|2,0,0]=4 833 B10R1.176 CCc1ccc(c(c1)O)O 271570a_203496583355_100012339963 [1,1,0,0,0,0|2,0,0]=4 834 B10R1.176 CNc1ccc(c(c1)Br)O 34a_100011534360_200000210301 [1,1,0,0,0,0|1,0,1]=4 835 B10R1.176 CNc1ccc(c(c1)C)O 271570a_203496583355_100102888905 [1,1,0,0,0,0|1,0,1]=4 836 B10R1.176 CNc1ccc(c(c1)C)O 34a_100011218179_200000210301 [1,1,0,0,0,0|1,0,1]=4 837 B10R1.176 CNc1ccc(c(c1)C)O 7a_100011218179_200000210301 [1,1,0,0,0,0|1,0,1]=4 838 B10R1.176 CNc1ccc(c(c1)Cl)O 34a_100000744943_200000210301 [1,1,0,0,0,0|1,0,1]=4 839 B10R1.176 CNc1ccc(c(c1)F)O 271570a_203496583355_100012285320 [1,1,0,0,0,0|1,0,1]=4 840 B10R1.176 CNc1ccc(c(c1)F)O 34a_100011220035_200000210301 [1,1,0,0,0,0|1,0,1]=4 841 B10R1.176 CNc1ccc(c(c1)F)O 7a_100011220035_200000210301 [1,1,0,0,0,0|1,0,1]=4 842 B10R1.176 CNc1ccc(c(c1)O)O 34a_100102946323_200000210301 [1,1,0,0,0,0|1,0,1]=4 843 B10R1.176 COc1ccc(c(c1)Br)O 271570a_203496583355_100012349170 [1,1,0,0,0,0|2,0,0]=4 844 B10R1.176 COc1ccc(c(c1)C)O 271570a_203496583355_100000759875 [1,1,0,0,0,0|2,0,0]=4 845 B10R1.176 COc1ccc(c(c1)F)O 271570a_203496583355_100000753793 [1,1,0,0,0,0|2,0,0]=4 846 B10R1.176 COc1ccc(c(c1)N)O 271570a_203496583355_100000748021 [1,1,0,0,0,0|2,0,0]=4 847 B10R1.176 COc1ccc(c(c1)O)O 271570a_203496583355_100000685887 [1,1,0,0,0,0|2,0,0]=4 848 B10R1.176 COc1ccc(c(c1)O)O 271570a_203496583355_100000719091 [1,1,0,0,0,0|2,0,0]=4 849 B10R1.176 CSc1ccc(c(c1)Br)O 62a_100012361655_200000210301 [1,1,0,0,0,0|2,0,0]=4 850 B10R1.176 CSc1ccc(c(c1)Br)O 62a_200000210301_100012361655 [1,1,0,0,0,0|2,0,0]=4 851 B10R1.176 CSc1ccc(c(c1)C)O 62a_200000210301_100000186361 [1,1,0,0,0,0|2,0,0]=4 852 B10R1.176 CSc1ccc(c(c1)Cl)O 62a_100012360047_200000210301 [1,1,0,0,0,0|2,0,0]=4 853 B10R1.176 CSc1ccc(c(c1)Cl)O 62a_200000210301_100012360047 [1,1,0,0,0,0|2,0,0]=4 854 B10R1.176 CSc1ccc(c(c1)F)O 271570a_203496583355_100009816902 [1,1,0,0,0,0|2,0,0]=4 855 B10R1.176 CSc1ccc(c(c1)F)O 62a_100000185481_200000210301 [1,1,0,0,0,0|2,0,0]=4 856 B10R1.176 CSc1ccc(c(c1)F)O 62a_200000210301_100000185481 [1,1,0,0,0,0|2,0,0]=4 857 B10R1.176 CSc1ccc(c(c1)N)O 62a_100000752626_200000210301 [1,1,0,0,0,0|2,0,0]=4 858 B10R1.176 CSc1ccc(c(c1)N)O 62a_200000210301_100000752626 [1,1,0,0,0,0|2,0,0]=4 859 B10R1.176 CSc1ccc(c(c1)O)O 62a_200000210301_100009813601 [1,1,0,0,0,0|2,0,0]=4 860 B10R1.176 Cc1cc(ccc1O)C#N 271570a_203496583355_100000212329 [1,1,0,0,0,0|2,0,0]=4 861 B10R1.176 Cc1cc(ccc1O)C=O 271570a_203496583355_100000765772 [1,1,0,0,0,0|1,0,0]=3 862 B10R1.176 Cc1cc(ccc1O)CN 271570a_203496583355_100015205234 [1,1,0,0,0,0|2,0,0]=4 863 B10R1.176 Cc1cc(ccc1O)CO 271570a_203496583355_100000718852 [1,1,0,0,0,0|1,0,1]=4 864 B10R1.176 Cc1cc(ccc1O)NN 271570a_203496583355_100000745493 [1,1,0,0,0,0|1,0,1]=4 865 B10R1.176 Cc1cc(ccc1O)N[13CH3] 34a_100011218179_200025704644 [1,1,0,0,0,0|1,0,1]=4 866 B10R1.176 Cc1cc(ccc1O)N[13CH3] 7a_100011218179_200025704644 [1,1,0,0,0,0|1,0,1]=4 867 B10R1.176 Cc1cc(ccc1O)S[13CH3] 62a_200025704644_100000186361 [1,1,0,0,0,0|2,0,0]=4 868 B10R1.176 Cc1cc(cnc1O)C=O 271570a_203496583355_100000070293 [1,1,0,0,0,0|2,0,0]=4 869 B10R1.176 Cc1cc(ncc1O)C=O 271570a_203496583355_100009814806 [1,1,0,0,0,0|2,0,0]=4 870 B10R1.176 Cc1ccc(cc1O)C=O 271570a_203496583355_100000695567 [1,1,0,0,0,0|2,0,0]=4 871 B10R1.176 Cc1nc(ccc1O)C=O 271570a_203496583355_100010238520 [1,1,0,0,0,0|2,0,0]=4 872 B10R1.176 N#Cc1ccc(c(c1)Br)O 271570a_203496583355_100012356348 [1,1,0,0,0,0|2,0,0]=4 873 B10R1.176 N#Cc1ccc(c(c1)Cl)O 271570a_203496583355_100012349663 [1,1,0,0,0,0|2,0,0]=4 874 B10R1.176 N#Cc1ccc(c(c1)F)O 271570a_203496583355_100011794375 [1,1,0,0,0,0|2,0,0]=4 875 B10R1.176 N#Cc1ccc(c(c1)N)O 271570a_203496583355_100012001879 [1,1,0,0,0,0|2,0,0]=4 876 B10R1.176 N#Cc1ccc(c(c1)O)O 271570a_203496583355_100000724445 [1,1,0,0,0,0|2,0,0]=4 877 B10R1.176 N#Cc1ccc(c(c1)O)O 271570a_203496583355_100000725478 [1,1,0,0,0,0|2,0,0]=4 878 B10R1.176 NCc1ccc(c(c1)F)O 271570a_203496583355_100000755036 [1,1,0,0,0,0|2,0,0]=4 879 B10R1.176 NNc1ccc(c(c1)F)O 271570a_203496583355_100016992936 [1,1,0,0,0,0|1,0,1]=4 880 B10R1.176 Nc1cc(ccc1O)CO 271570a_203496583355_100012347568 [1,1,0,0,0,0|1,0,1]=4 881 B10R1.176 O=Cc1ccc(c(c1)F)O 271570a_203496583355_100000686674 [1,1,0,0,0,0|1,0,0]=3 882 B10R1.176 O=Cc1ccc(c(c1)O)Br 271570a_203496583355_100010146563 [1,1,0,0,0,0|2,0,0]=4 883 B10R1.176 O=Cc1ccc(c(c1)O)Cl 271570a_203496583355_100010209939 [1,1,0,0,0,0|2,0,0]=4 884 B10R1.176 O=Cc1ccc(c(c1)O)F 271570a_203496583355_100000211747 [1,1,0,0,0,0|2,0,0]=4 885 B10R1.176 O=Cc1ccc(c(c1)O)O 271570a_203496583355_100000041418 [1,1,0,0,0,0|1,0,0]=3 886 B10R1.176 O=Cc1ccc(c(c1)O)O 271570a_203496583355_100000184552 [1,1,0,0,0,0|1,0,0]=3 887 B10R1.176 O=Cc1cnc(c(c1)F)O 271570a_203496583355_100009866847 [1,1,0,0,0,0|2,0,0]=4 888 B10R1.176 O=Cc1cnc(c(c1)O)O 271570a_203496583355_100010064886 [1,1,0,0,0,0|2,0,0]=4 889 B10R1.176 OCc1ccc(c(c1)Cl)O 271570a_203496583355_100000718186 [1,1,0,0,0,0|1,0,1]=4 890 B10R1.176 OCc1ccc(c(c1)F)O 271570a_203496583355_100011533735 [1,1,0,0,0,0|1,0,1]=4 891 B10R1.176 OCc1ccc(c(c1)O)O 271570a_203496583355_100000049605 [1,1,0,0,0,0|1,0,1]=4 892 B10R1.176 OCc1ccc(c(c1)O)O 271570a_203496583355_100011191544 [1,1,0,0,0,0|1,0,1]=4 893 B10R1.176 [13CH3]Nc1ccc(c(c1)Br)O 34a_100011534360_200025704644 [1,1,0,0,0,0|1,0,1]=4 894 B10R1.176 [13CH3]Nc1ccc(c(c1)Cl)O 34a_100000744943_200025704644 [1,1,0,0,0,0|1,0,1]=4 895 B10R1.176 [13CH3]Nc1ccc(c(c1)F)O 34a_100011220035_200025704644 [1,1,0,0,0,0|1,0,1]=4 896 B10R1.176 [13CH3]Nc1ccc(c(c1)F)O 7a_100011220035_200025704644 [1,1,0,0,0,0|1,0,1]=4 897 B10R1.176 [13CH3]Nc1ccc(c(c1)O)O 34a_100102946323_200025704644 [1,1,0,0,0,0|1,0,1]=4 898 B10R1.176 [13CH3]Sc1ccc(c(c1)Br)O 62a_100012361655_200025704644 [1,1,0,0,0,0|2,0,0]=4 899 B10R1.176 [13CH3]Sc1ccc(c(c1)Br)O 62a_200025704644_100012361655 [1,1,0,0,0,0|2,0,0]=4 900 B10R1.176 [13CH3]Sc1ccc(c(c1)Cl)O 62a_100012360047_200025704644 [1,1,0,0,0,0|2,0,0]=4 901 B10R1.176 [13CH3]Sc1ccc(c(c1)Cl)O 62a_200025704644_100012360047 [1,1,0,0,0,0|2,0,0]=4 902 B10R1.176 [13CH3]Sc1ccc(c(c1)F)O 62a_100000185481_200025704644 [1,1,0,0,0,0|2,0,0]=4 903 B10R1.176 [13CH3]Sc1ccc(c(c1)F)O 62a_200025704644_100000185481 [1,1,0,0,0,0|2,0,0]=4 904 B10R1.176 [13CH3]Sc1ccc(c(c1)N)O 62a_100000752626_200025704644 [1,1,0,0,0,0|2,0,0]=4 905 B10R1.176 [13CH3]Sc1ccc(c(c1)N)O 62a_200025704644_100000752626 [1,1,0,0,0,0|2,0,0]=4 906 B10R1.176 [13CH3]Sc1ccc(c(c1)O)O 62a_200025704644_100009813601 [1,1,0,0,0,0|2,0,0]=4 907 B10R1.15 CCC(=O)c1ccccc1 1458a_100000185807_100000210202 [1,1,0,0,0,0|2,0,0]=4 908 B10R1.15 CNC(=O)c1ccccc1 11a_106832991635_100000185807 [1,1,0,0,0,0|2,0,0]=4 909 B10R1.15 CNC(=O)c1ccccc1 1626a_100102657272_100000185807 [1,1,0,0,0,0|2,0,0]=4 910 B10R1.15 CNC(=O)c1ccccc1 240690a_100102657272_100000185807 [1,1,0,0,0,0|2,0,0]=4 911 B10R1.15 CNC(=O)c1ccccc1 527a_100102657272_100000185807 [1,1,0,0,0,0|2,0,0]=4 912 B10R1.15 O=C(CF)c1ccccc1 1458a_100000185807_100015361967 [1,1,0,0,0,0|2,0,0]=4 913 B10R1.61 CC(=O)c1ccccc1Br 1458a_100000188424_200000210301 [1,1,0,0,0,0|2,0,0]=4 914 B10R1.61 CC(=O)c1ccccc1C 1458a_100000212026_200000210301 [1,1,0,0,0,0|2,0,0]=4 915 B10R1.61 CC(=O)c1ccccc1Cl 1458a_100000185844_200000210301 [1,1,0,0,0,0|2,0,0]=4 916 B10R1.61 CC(=O)c1ccccc1F 1458a_100000188656_200000210301 [1,1,0,0,0,0|2,0,0]=4 917 B10R1.61 CC(=O)c1ccccc1I 1458a_100000187884_200000210301 [1,1,0,0,0,0|2,0,0]=4 918 B10R1.61 CC(=O)c1ccccc1O 1458a_100015234032_200000210301 [1,1,0,0,0,0|2,0,0]=4 919 B10R1.61 CC(=O)c1ccccc1O 271570a_203496583355_100000751169 [1,1,0,0,0,0|2,0,0]=4 920 B10R1.61 CC(=O)c1ccccc1[O-] 1458a_100009911694_200000210301 [1,1,0,0,0,0|2,0,0]=4 921 B10R1.61 CS(=O)c1ccccc1O 271570a_203496583355_100000734199 [1,1,0,0,0,0|2,0,0]=4 922 B10R1.61 Cc1ccccc1C(=O)[13CH3] 1458a_100000212026_200025704644 [1,1,0,0,0,0|2,0,0]=4 923 B10R1.61 NC(=O)c1ccccc1O 271570a_203496583355_100000162227 [1,1,0,0,0,0|2,0,0]=4 924 B10R1.61 [13CH3]C(=O)c1ccccc1Br 1458a_100000188424_200025704644 [1,1,0,0,0,0|2,0,0]=4 925 B10R1.61 [13CH3]C(=O)c1ccccc1Cl 1458a_100000185844_200025704644 [1,1,0,0,0,0|2,0,0]=4 926 B10R1.61 [13CH3]C(=O)c1ccccc1F 1458a_100000188656_200025704644 [1,1,0,0,0,0|2,0,0]=4 927 B10R1.61 [13CH3]C(=O)c1ccccc1I 1458a_100000187884_200025704644 [1,1,0,0,0,0|2,0,0]=4 928 B10R1.61 [13CH3]C(=O)c1ccccc1O 1458a_100015234032_200025704644 [1,1,0,0,0,0|2,0,0]=4 929 B10R1.61 [13CH3]C(=O)c1ccccc1[O-] 1458a_100009911694_200025704644 [1,1,0,0,0,0|2,0,0]=4 930 B10R1.113 CC(=O)c1cccc(c1)Br 1458a_100000210664_200000210301 [1,1,0,0,0,0|2,0,0]=4 931 B10R1.113 CC(=O)c1cccc(c1)C 1458a_100000189346_200000210301 [1,1,0,0,0,0|2,0,0]=4 932 B10R1.113 CC(=O)c1cccc(c1)Cl 1458a_100000210390_200000210301 [1,1,0,0,0,0|2,0,0]=4 933 B10R1.113 CC(=O)c1cccc(c1)F 1458a_100000210950_200000210301 [1,1,0,0,0,0|2,0,0]=4 934 B10R1.113 CC(=O)c1cccc(c1)I 1458a_100000184098_200000210301 [1,1,0,0,0,0|2,0,0]=4 935 B10R1.113 CC(=O)c1cccc(c1)O 1458a_100000183914_200000210301 [1,1,0,0,0,0|2,0,0]=4 936 B10R1.113 CC(=O)c1cccc(c1)O 271570a_203496583355_100000210093 [1,1,0,0,0,0|2,0,0]=4 937 B10R1.113 CS(=O)c1cccc(c1)O 271570a_203496583355_100009816267 [1,1,0,0,0,0|2,0,0]=4 938 B10R1.113 Cc1cccc(c1)C(=O)[13CH3] 1458a_100000189346_200025704644 [1,1,0,0,0,0|2,0,0]=4 939 B10R1.113 NC(=O)c1cccc(c1)O 271570a_203496583355_100000162208 [1,1,0,0,0,0|2,0,0]=4 940 B10R1.113 [13CH3]C(=O)c1cccc(c1)Br 1458a_100000210664_200025704644 [1,1,0,0,0,0|2,0,0]=4 941 B10R1.113 [13CH3]C(=O)c1cccc(c1)Cl 1458a_100000210390_200025704644 [1,1,0,0,0,0|2,0,0]=4 942 B10R1.113 [13CH3]C(=O)c1cccc(c1)F 1458a_100000210950_200025704644 [1,1,0,0,0,0|2,0,0]=4 943 B10R1.113 [13CH3]C(=O)c1cccc(c1)I 1458a_100000184098_200025704644 [1,1,0,0,0,0|2,0,0]=4 944 B10R1.113 [13CH3]C(=O)c1cccc(c1)O 1458a_100000183914_200025704644 [1,1,0,0,0,0|2,0,0]=4 945 B12R1.4 CC(=O)Cc1ccc(cc1)CO 1458a_100000070787_100000067286 [0,1,0,0,0,1|2,0,0]=4 946 B12R1.4 CC(=O)Cc1ccc(cc1)CO 1458a_100011356463_200000210301 [0,1,0,0,0,1|2,0,0]=4 947 B12R1.4 CC(=O)Cc1ccc(cc1)O[13CH3] 34a_100011218180_200025704644 [0,1,0,0,0,1|2,0,0]=4 948 B12R1.4 CC(=O)Cc1ccc(cc1)O[13CH3] 7a_100011218180_200025704644 [0,1,0,0,0,1|2,0,0]=4 949 B12R1.4 CC(=O)Nc1ccc(cc1)CO 22a_100011215238_100000070787 [0,1,0,0,0,1|2,0,0]=4 950 B12R1.4 CC(=O)Nc1ccc(cc1)O[13CH3] 34a_100000184395_200025704644 [0,1,0,0,0,1|2,0,0]=4 951 B12R1.4 CC(=O)Nc1ccc(cc1)O[13CH3] 7a_100000184395_200025704644 [0,1,0,0,0,1|2,0,0]=4 952 B12R1.4 COc1ccc(cc1)CC(=O)C 1458a_100000210706_200000210301 [0,1,0,0,0,1|2,0,0]=4 953 B12R1.4 COc1ccc(cc1)CC(=O)C 34a_100011218180_200000210301 [0,1,0,0,0,1|2,0,0]=4 954 B12R1.4 COc1ccc(cc1)CC(=O)C 7a_100011218180_200000210301 [0,1,0,0,0,1|2,0,0]=4 955 B12R1.4 COc1ccc(cc1)CC(=O)N 34a_100000020825_200000210301 [0,1,0,0,0,1|2,0,0]=4 956 B12R1.4 COc1ccc(cc1)CC(=O)[13CH3] 1458a_100000210706_200025704644 [0,1,0,0,0,1|2,0,0]=4 957 B12R1.4 COc1ccc(cc1)NC(=O)C 11a_100000184247_100015343762 [0,1,0,0,0,1|2,0,0]=4 958 B12R1.4 COc1ccc(cc1)NC(=O)C 1626a_100000184247_100015343762 [0,1,0,0,0,1|2,0,0]=4 959 B12R1.4 COc1ccc(cc1)NC(=O)C 22a_100000184247_100000070787 [0,1,0,0,0,1|2,0,0]=4 960 B12R1.4 COc1ccc(cc1)NC(=O)C 34a_100000184395_200000210301 [0,1,0,0,0,1|2,0,0]=4 961 B12R1.4 COc1ccc(cc1)NC(=O)C 527a_100000184247_100103153847 [0,1,0,0,0,1|2,0,0]=4 962 B12R1.4 COc1ccc(cc1)NC(=O)C 7a_100000184395_200000210301 [0,1,0,0,0,1|2,0,0]=4 963 B12R1.4 [13CH3]C(=O)Cc1ccc(cc1)CO 1458a_100011356463_200025704644 [0,1,0,0,0,1|2,0,0]=4 964 B12R1.4 [13CH3]Oc1ccc(cc1)CC(=O)N 34a_100000020825_200025704644 [0,1,0,0,0,1|2,0,0]=4 965 B12R1.19 CC(=O)Cc1ccc(c(c1)Br)O 1458a_100009990404_200000210301 [0,1,0,0,0,1|2,0,0]=4 966 B12R1.19 CC(=O)Cc1ccc(c(c1)C)O 1458a_100000083968_200000210301 [0,1,0,0,0,1|2,0,0]=4 967 B12R1.19 CC(=O)Cc1ccc(c(c1)Cl)O 1458a_100000035197_200000210301 [0,1,0,0,0,1|2,0,0]=4 968 B12R1.19 CC(=O)Cc1ccc(c(c1)F)O 1458a_100000039761_200000210301 [0,1,0,0,0,1|2,0,0]=4 969 B12R1.19 CC(=O)Cc1ccc(c(c1)O)O 1458a_100000031429_200000210301 [0,1,0,0,0,1|2,0,0]=4 970 B12R1.19 CC(=O)Cc1ccc(c(c1)O)O 271570a_203496583355_100010141077 [0,1,0,0,0,1|2,0,0]=4 971 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)O 22a_100011534360_100000070787 [0,1,0,0,0,1|2,0,0]=4 972 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)O 527a_100011534360_100103153847 [0,1,0,0,0,1|2,0,0]=4 973 B12R1.19 CC(=O)Nc1ccc(c(c1)C)O 11a_100011218179_100015343762 [0,1,0,0,0,1|2,0,0]=4 974 B12R1.19 CC(=O)Nc1ccc(c(c1)C)O 22a_100011218179_100000070787 [0,1,0,0,0,1|2,0,0]=4 975 B12R1.19 CC(=O)Nc1ccc(c(c1)C)O 271570a_203496583355_100000155607 [0,1,0,0,0,1|2,0,0]=4 976 B12R1.19 CC(=O)Nc1ccc(c(c1)C)O 527a_100011218179_100103153847 [0,1,0,0,0,1|2,0,0]=4 977 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)O 22a_100000744943_100000070787 [0,1,0,0,0,1|2,0,0]=4 978 B12R1.19 CC(=O)Nc1ccc(c(c1)F)O 22a_100011220035_100000070787 [0,1,0,0,0,1|2,0,0]=4 979 B12R1.19 CC(=O)Nc1ccc(c(c1)F)O 271570a_203496583355_100011219590 [0,1,0,0,0,1|2,0,0]=4 980 B12R1.19 CC(=O)Nc1ccc(c(c1)F)O 527a_100011220035_100103153847 [0,1,0,0,0,1|2,0,0]=4 981 B12R1.19 CC(=O)Nc1ccc(c(c1)O)O 22a_100102946323_100000070787 [0,1,0,0,0,1|2,0,0]=4 982 B12R1.19 CC(=O)Nc1ccc(c(c1)O)O 527a_100102946323_100103153847 [0,1,0,0,0,1|2,0,0]=4 983 B12R1.19 Cc1cc(ccc1O)CC(=O)[13CH3] 1458a_100000083968_200025704644 [0,1,0,0,0,1|2,0,0]=4 984 B12R1.19 Cc1cc(ccc1O)NC(=O)N 271570a_203496583355_100000238934 [0,1,0,0,0,1|2,0,0]=4 985 B12R1.19 [13CH3]C(=O)Cc1ccc(c(c1)Br)O 1458a_100009990404_200025704644 [0,1,0,0,0,1|2,0,0]=4 986 B12R1.19 [13CH3]C(=O)Cc1ccc(c(c1)Cl)O 1458a_100000035197_200025704644 [0,1,0,0,0,1|2,0,0]=4 987 B12R1.19 [13CH3]C(=O)Cc1ccc(c(c1)F)O 1458a_100000039761_200025704644 [0,1,0,0,0,1|2,0,0]=4 988 B12R1.19 [13CH3]C(=O)Cc1ccc(c(c1)O)O 1458a_100000031429_200025704644 [0,1,0,0,0,1|2,0,0]=4 989 B12R1.20 CC(=O)C(C)c1ccc(cc1)O 1458a_100000031422_200000210301 [0,1,0,0,0,1|2,0,0]=4 990 B12R1.20 CC(=O)C(O)c1ccc(cc1)O 1458a_100011215213_200000210301 [0,1,0,0,0,1|2,0,0]=4 991 B12R1.20 CC(=O)N(C)c1ccc(cc1)O 22a_100000182112_100000070787 [0,1,0,0,0,1|2,0,0]=4 992 B12R1.20 CC(=O)N(C)c1ccc(cc1)O 271570a_203496583355_200009816415 [0,1,0,0,0,1|2,0,0]=4 993 B12R1.20 CC(=O)N(C)c1ccc(cc1)O 527a_100000182112_100103153847 [0,1,0,0,0,1|2,0,0]=4 994 B12R1.20 CC(C(=O)[13CH3])c1ccc(cc1)O 1458a_100000031422_200025704644 [0,1,0,0,0,1|2,0,0]=4 995 B12R1.20 NC(=O)C(=O)c1ccc(cc1)O 271570a_203496583355_200009822167 [0,1,0,0,0,1|2,0,0]=4 996 B12R1.20 [13CH3]C(=O)C(O)c1ccc(cc1)O 1458a_100011215213_200025704644 [0,1,0,0,0,1|2,0,0]=4 997 B12R1.49 C=CC(=O)Nc1ccc(cc1)O 22a_100000185829_100000185746 [0,1,0,0,0,1|2,0,0]=4 998 B12R1.49 CCC(=O)Cc1ccc(cc1)O 1458a_100000198540_100000210202 [0,1,0,0,0,1|2,0,0]=4 999 B12R1.49 CCC(=O)Nc1ccc(cc1)O 22a_100000185829_100000210414 [0,1,0,0,0,1|2,0,0]=4 1000 B12R1.49 CCC(=O)Oc1ccc(cc1)O 271570a_203496583355_200009811598 [0,1,0,0,0,1|2,0,0]=4 1001 B12R1.49 CNC(=O)Cc1ccc(cc1)O 1626a_100102657272_100000198540 [0,1,0,0,0,1|2,0,0]=4 1002 B12R1.49 CNC(=O)Cc1ccc(cc1)O 240690a_100102657272_100000198540 [0,1,0,0,0,1|2,0,0]=4 1003 B12R1.49 CNC(=O)Cc1ccc(cc1)O 271570a_203496583355_100000155101 [0,1,0,0,0,1|2,0,0]=4 1004 B12R1.49 CNC(=O)Cc1ccc(cc1)O 527a_100102657272_100000198540 [0,1,0,0,0,1|2,0,0]=4 1005 B12R1.49 CNC(=O)Nc1ccc(cc1)O 2430a_100000185829_100102657272 [0,1,0,0,0,1|2,0,0]=4 1006 B12R1.49 COC(=O)Cc1ccc(cc1)O 271570a_203496583355_100000149743 [0,1,0,0,0,1|1,0,1]=4 1007 B12R1.49 COC(=O)Nc1ccc(cc1)O 271570a_203496583355_100000181880 [0,1,0,0,0,1|1,0,1]=4 1008 B12R1.49 O=C(CF)Cc1ccc(cc1)O 1458a_100000198540_100015361967 [0,1,0,0,0,1|2,0,0]=4 1009 B12R1.49 O=C(CO)Nc1ccc(cc1)O 22a_100000185829_100000210174 [0,1,0,0,0,1|1,0,1]=4 1010 B12R1.106 CS(=O)(=O)Cc1ccc(cc1)O 271570a_203496583355_100009814647 [0,1,0,0,0,1|1,0,1]=4 1011 B12R1.106 CS(=O)(=O)Nc1ccc(cc1)O 271570a_203496583355_200000165602 [0,1,0,0,0,1|1,0,1]=4 1012 B12R1.106 NS(=O)(=O)Cc1ccc(cc1)O 271570a_203496583355_100000764258 [0,1,0,0,0,1|1,0,1]=4 1013 B12R1.233 CC(=O)Cc1ccc(cc1Br)O 1458a_100010176083_200000210301 [0,1,0,0,0,1|2,0,0]=4 1014 B12R1.233 CC(=O)Cc1ccc(cc1F)O 1458a_100000090534_200000210301 [0,1,0,0,0,1|2,0,0]=4 1015 B12R1.233 CC(=O)Nc1ccc(cc1Br)O 22a_100012001276_100000070787 [0,1,0,0,0,1|2,0,0]=4 1016 B12R1.233 CC(=O)Nc1ccc(cc1Br)O 527a_100012001276_100103153847 [0,1,0,0,0,1|2,0,0]=4 1017 B12R1.233 CC(=O)Nc1ccc(cc1C)O 22a_100000756630_100000070787 [0,1,0,0,0,1|2,0,0]=4 1018 B12R1.233 CC(=O)Nc1ccc(cc1C)O 271570a_203496583355_100000152120 [0,1,0,0,0,1|2,0,0]=4 1019 B12R1.233 CC(=O)Nc1ccc(cc1C)O 527a_100000756630_100103153847 [0,1,0,0,0,1|2,0,0]=4 1020 B12R1.233 CC(=O)Nc1ccc(cc1Cl)O 22a_100011215599_100000070787 [0,1,0,0,0,1|2,0,0]=4 1021 B12R1.233 CC(=O)Nc1ccc(cc1Cl)O 271570a_203496583355_100011273303 [0,1,0,0,0,1|2,0,0]=4 1022 B12R1.233 CC(=O)Nc1ccc(cc1Cl)O 527a_100011215599_100103153847 [0,1,0,0,0,1|2,0,0]=4 1023 B12R1.233 CC(=O)Nc1ccc(cc1F)O 22a_100000759473_100000070787 [0,1,0,0,0,1|2,0,0]=4 1024 B12R1.233 CC(=O)Nc1ccc(cc1F)O 271570a_203496583355_100000155584 [0,1,0,0,0,1|2,0,0]=4 1025 B12R1.233 CC(=O)Nc1ccc(cc1F)O 527a_100000759473_100103153847 [0,1,0,0,0,1|2,0,0]=4 1026 B12R1.233 CC(=O)Nc1ccc(cc1I)O 22a_100010084370_100000070787 [0,1,0,0,0,1|2,0,0]=4 1027 B12R1.233 CC(=O)Nc1ccc(cc1I)O 527a_100010084370_100103153847 [0,1,0,0,0,1|2,0,0]=4 1028 B12R1.233 CC(=O)Nc1ccc(cc1N)O 271570a_203496583355_100000749274 [0,1,0,0,0,1|2,0,0]=4 1029 B12R1.233 CC(=O)Nc1ccc(cc1O)O 22a_100000106777_100000070787 [0,1,0,0,0,1|2,0,0]=4 1030 B12R1.233 CC(=O)Nc1ccc(cc1O)O 527a_100000106777_100103153847 [0,1,0,0,0,1|2,0,0]=4 1031 B12R1.233 CC(=O)Oc1ccc(cc1F)O 271570a_203496583355_100009811628 [0,1,0,0,0,1|2,0,0]=4 1032 B12R1.233 [13CH3]C(=O)Cc1ccc(cc1Br)O 1458a_100010176083_200025704644 [0,1,0,0,0,1|2,0,0]=4 1033 B12R1.233 [13CH3]C(=O)Cc1ccc(cc1F)O 1458a_100000090534_200025704644 [0,1,0,0,0,1|2,0,0]=4 1034 B12R1.5 CCC(=O)c1ccc(cc1)CO 1458a_100000183892_100000210202 [0,2,0,0,0,0|2,0,0]=4 1035 B12R1.5 CCC(=O)c1ccc(cc1)OC 1458a_100000184203_100000210202 [0,2,0,0,0,0|2,0,0]=4 1036 B12R1.5 CCC(=O)c1ccc(cc1)OC 34a_100000212119_200000210301 [0,2,0,0,0,0|2,0,0]=4 1037 B12R1.5 CCC(=O)c1ccc(cc1)OC 7a_100000212119_200000210301 [0,2,0,0,0,0|2,0,0]=4 1038 B12R1.5 CCC(=O)c1ccc(cc1)O[13CH3] 34a_100000212119_200025704644 [0,2,0,0,0,0|2,0,0]=4 1039 B12R1.5 CCC(=O)c1ccc(cc1)O[13CH3] 7a_100000212119_200025704644 [0,2,0,0,0,0|2,0,0]=4 1040 B12R1.5 CNC(=O)c1ccc(cc1)CO 1626a_100102657272_100000183892 [0,2,0,0,0,0|2,0,0]=4 1041 B12R1.5 CNC(=O)c1ccc(cc1)CO 240690a_100102657272_100000183892 [0,2,0,0,0,0|2,0,0]=4 1042 B12R1.5 CNC(=O)c1ccc(cc1)OC 11a_106832991635_100000184203 [0,2,0,0,0,0|2,0,0]=4 1043 B12R1.5 CNC(=O)c1ccc(cc1)OC 1626a_100102657272_100000184203 [0,2,0,0,0,0|2,0,0]=4 1044 B12R1.5 CNC(=O)c1ccc(cc1)OC 240690a_100102657272_100000184203 [0,2,0,0,0,0|2,0,0]=4 1045 B12R1.5 CNC(=O)c1ccc(cc1)OC 34a_100000192141_200000210301 [0,2,0,0,0,0|2,0,0]=4 1046 B12R1.5 CNC(=O)c1ccc(cc1)OC 527a_100102657272_100000184203 [0,2,0,0,0,0|2,0,0]=4 1047 B12R1.5 CNC(=O)c1ccc(cc1)OC 7a_100000192141_200000210301 [0,2,0,0,0,0|2,0,0]=4 1048 B12R1.5 CNC(=O)c1ccc(cc1)O[13CH3] 34a_100000192141_200025704644 [0,2,0,0,0,0|2,0,0]=4 1049 B12R1.5 CNC(=O)c1ccc(cc1)O[13CH3] 7a_100000192141_200025704644 [0,2,0,0,0,0|2,0,0]=4 1050 B12R1.5 COC(=O)c1ccc(cc1)OC 34a_100000150123_200000210301 [0,2,0,0,0,0|1,0,1]=4 1051 B12R1.5 COC(=O)c1ccc(cc1)OC 7a_100000150123_200000210301 [0,2,0,0,0,0|1,0,1]=4 1052 B12R1.5 COC(=O)c1ccc(cc1)O[13CH3] 34a_100000150123_200025704644 [0,2,0,0,0,0|1,0,1]=4 1053 B12R1.5 COC(=O)c1ccc(cc1)O[13CH3] 7a_100000150123_200025704644 [0,2,0,0,0,0|1,0,1]=4 1054 B12R1.5 COc1ccc(cc1)C(=O)CBr 7a_100009814261_200000210301 [0,2,0,0,0,0|2,0,0]=4 1055 B12R1.5 COc1ccc(cc1)C(=O)CCl 7a_100000018856_200000210301 [0,2,0,0,0,0|2,0,0]=4 1056 B12R1.5 COc1ccc(cc1)C(=O)CF 1458a_100000184203_100015361967 [0,2,0,0,0,0|2,0,0]=4 1057 B12R1.5 COc1ccc(cc1)C(=O)CF 34a_200010654591_200000210301 [0,2,0,0,0,0|2,0,0]=4 1058 B12R1.5 COc1ccc(cc1)C(=O)CF 7a_200010654591_200000210301 [0,2,0,0,0,0|2,0,0]=4 1059 B12R1.5 COc1ccc(cc1)C(=O)NN 34a_100000185078_200000210301 [0,2,0,0,0,0|2,0,0]=4 1060 B12R1.5 O=C(CF)c1ccc(cc1)CO 1458a_100000183892_100015361967 [0,2,0,0,0,0|2,0,0]=4 1061 B12R1.5 [13CH3]Oc1ccc(cc1)C(=O)CBr 7a_100009814261_200025704644 [0,2,0,0,0,0|2,0,0]=4 1062 B12R1.5 [13CH3]Oc1ccc(cc1)C(=O)CCl 7a_100000018856_200025704644 [0,2,0,0,0,0|2,0,0]=4 1063 B12R1.5 [13CH3]Oc1ccc(cc1)C(=O)CF 34a_200010654591_200025704644 [0,2,0,0,0,0|2,0,0]=4 1064 B12R1.5 [13CH3]Oc1ccc(cc1)C(=O)CF 7a_200010654591_200025704644 [0,2,0,0,0,0|2,0,0]=4 1065 B12R1.5 [13CH3]Oc1ccc(cc1)C(=O)NN 34a_100000185078_200025704644 [0,2,0,0,0,0|2,0,0]=4 1066 B12R1.6 COc1ccc(cc1)S(=O)(=O)C 34a_100000230201_200000210301 [0,2,0,0,0,0|1,0,1]=4 1067 B12R1.6 COc1ccc(cc1)S(=O)(=O)C 7a_100000230201_200000210301 [0,2,0,0,0,0|1,0,1]=4 1068 B12R1.6 COc1ccc(cc1)S(=O)(=O)N 34a_100000738502_200000210301 [0,2,0,0,0,0|1,0,1]=4 1069 B12R1.6 COc1ccc(cc1)S(=O)(=O)N 7a_100000738502_200000210301 [0,2,0,0,0,0|1,0,1]=4 1070 B12R1.6 COc1ccc(cc1)S(=O)(=O)[O-] 7a_100000698548_200000210301 [0,2,0,0,0,0|1,0,0]=3 1071 B12R1.6 CS(=O)(=O)c1ccc(cc1)O[13CH3] 34a_100000230201_200025704644 [0,2,0,0,0,0|1,0,1]=4 1072 B12R1.6 CS(=O)(=O)c1ccc(cc1)O[13CH3] 7a_100000230201_200025704644 [0,2,0,0,0,0|1,0,1]=4 1073 B12R1.6 [13CH3]Oc1ccc(cc1)S(=O)(=O)N 34a_100000738502_200025704644 [0,2,0,0,0,0|1,0,1]=4 1074 B12R1.6 [13CH3]Oc1ccc(cc1)S(=O)(=O)N 7a_100000738502_200025704644 [0,2,0,0,0,0|1,0,1]=4 1075 B12R1.6 [13CH3]Oc1ccc(cc1)S(=O)(=O)[O-] 7a_100000698548_200025704644 [0,2,0,0,0,0|1,0,0]=3 1076 B12R1.48 CC(=O)c1ccc(c(c1)Br)O[13CH3] 34a_100011772453_200025704644 [0,2,0,0,0,0|2,0,0]=4 1077 B12R1.48 CC(=O)c1ccc(c(c1)Br)O[13CH3] 7a_100011772453_200025704644 [0,2,0,0,0,0|2,0,0]=4 1078 B12R1.48 CC(=O)c1ccc(c(c1)C)O[13CH3] 34a_100000188726_200025704644 [0,2,0,0,0,0|2,0,0]=4 1079 B12R1.48 CC(=O)c1ccc(c(c1)C)O[13CH3] 7a_100000188726_200025704644 [0,2,0,0,0,0|2,0,0]=4 1080 B12R1.48 CC(=O)c1ccc(c(c1)Cl)O[13CH3] 34a_100000188625_200025704644 [0,2,0,0,0,0|2,0,0]=4 1081 B12R1.48 CC(=O)c1ccc(c(c1)Cl)O[13CH3] 7a_100000188625_200025704644 [0,2,0,0,0,0|2,0,0]=4 1082 B12R1.48 CC(=O)c1ccc(c(c1)F)CO 1458a_100000687192_200000210301 [0,2,0,0,0,0|2,0,0]=4 1083 B12R1.48 CC(=O)c1ccc(c(c1)F)O[13CH3] 34a_100000751691_200025704644 [0,2,0,0,0,0|2,0,0]=4 1084 B12R1.48 CC(=O)c1ccc(c(c1)F)O[13CH3] 7a_100000751691_200025704644 [0,2,0,0,0,0|2,0,0]=4 1085 B12R1.48 CC(=O)c1ccc(c(c1)N)O[13CH3] 34a_100000117292_200025704644 [0,2,0,0,0,0|2,0,0]=4 1086 B12R1.48 CC(=O)c1ccc(c(c1)N)O[13CH3] 7a_100000117292_200025704644 [0,2,0,0,0,0|2,0,0]=4 1087 B12R1.48 CNc1ccc(cc1C)[N+](=O)[O-] 2230a_100000184110_200000210301 [0,2,0,0,0,0|1,0,0]=3 1088 B12R1.48 CNc1ccc(cc1C)[N+](=O)[O-] 34a_100000184110_200000210301 [0,2,0,0,0,0|1,0,0]=3 1089 B12R1.48 CNc1ccc(cc1C)[N+](=O)[O-] 7a_100000184110_200000210301 [0,2,0,0,0,0|1,0,0]=3 1090 B12R1.48 CNc1ccc(cc1Cl)[N+](=O)[O-] 34a_100000185723_200000210301 [0,2,0,0,0,0|1,0,0]=3 1091 B12R1.48 CNc1ccc(cc1F)[N+](=O)[O-] 34a_100000745739_200000210301 [0,2,0,0,0,0|1,0,0]=3 1092 B12R1.48 COc1ccc(cc1Br)C(=O)C 1458a_100000187947_200000210301 [0,2,0,0,0,0|2,0,0]=4 1093 B12R1.48 COc1ccc(cc1Br)C(=O)C 34a_100011772453_200000210301 [0,2,0,0,0,0|2,0,0]=4 1094 B12R1.48 COc1ccc(cc1Br)C(=O)C 7a_100011772453_200000210301 [0,2,0,0,0,0|2,0,0]=4 1095 B12R1.48 COc1ccc(cc1Br)C(=O)[13CH3] 1458a_100000187947_200025704644 [0,2,0,0,0,0|2,0,0]=4 1096 B12R1.48 COc1ccc(cc1Br)[N+](=O)[O-] 34a_100000756651_200000210301 [0,2,0,0,0,0|0,0,0]=2 1097 B12R1.48 COc1ccc(cc1Br)[N+](=O)[O-] 7a_100000756651_200000210301 [0,2,0,0,0,0|0,0,0]=2 1098 B12R1.48 COc1ccc(cc1C)C(=O)C 1458a_100011202886_200000210301 [0,2,0,0,0,0|2,0,0]=4 1099 B12R1.48 COc1ccc(cc1C)C(=O)C 34a_100000188726_200000210301 [0,2,0,0,0,0|2,0,0]=4 1100 B12R1.48 COc1ccc(cc1C)C(=O)C 7a_100000188726_200000210301 [0,2,0,0,0,0|2,0,0]=4 1101 B12R1.48 COc1ccc(cc1C)C(=O)[13CH3] 1458a_100011202886_200025704644 [0,2,0,0,0,0|2,0,0]=4 1102 B12R1.48 COc1ccc(cc1C)[N+](=O)[O-] 34a_100000744956_200000210301 [0,2,0,0,0,0|0,0,0]=2 1103 B12R1.48 COc1ccc(cc1C)[N+](=O)[O-] 7a_100000744956_200000210301 [0,2,0,0,0,0|0,0,0]=2 1104 B12R1.48 COc1ccc(cc1Cl)C(=O)C 1458a_100000188346_200000210301 [0,2,0,0,0,0|2,0,0]=4 1105 B12R1.48 COc1ccc(cc1Cl)C(=O)C 34a_100000188625_200000210301 [0,2,0,0,0,0|2,0,0]=4 1106 B12R1.48 COc1ccc(cc1Cl)C(=O)C 7a_100000188625_200000210301 [0,2,0,0,0,0|2,0,0]=4 1107 B12R1.48 COc1ccc(cc1Cl)C(=O)N 34a_200000192832_200000210301 [0,2,0,0,0,0|2,0,0]=4 1108 B12R1.48 COc1ccc(cc1Cl)C(=O)N 7a_200000192832_200000210301 [0,2,0,0,0,0|2,0,0]=4 1109 B12R1.48 COc1ccc(cc1Cl)C(=O)[13CH3] 1458a_100000188346_200025704644 [0,2,0,0,0,0|2,0,0]=4 1110 B12R1.48 COc1ccc(cc1Cl)[N+](=O)[O-] 34a_100000206008_200000210301 [0,2,0,0,0,0|0,0,0]=2 1111 B12R1.48 COc1ccc(cc1Cl)[N+](=O)[O-] 7a_100000206008_200000210301 [0,2,0,0,0,0|0,0,0]=2 1112 B12R1.48 COc1ccc(cc1F)C(=O)C 1458a_100000186160_200000210301 [0,2,0,0,0,0|2,0,0]=4 1113 B12R1.48 COc1ccc(cc1F)C(=O)C 34a_100000751691_200000210301 [0,2,0,0,0,0|2,0,0]=4 1114 B12R1.48 COc1ccc(cc1F)C(=O)C 7a_100000751691_200000210301 [0,2,0,0,0,0|2,0,0]=4 1115 B12R1.48 COc1ccc(cc1F)C(=O)[13CH3] 1458a_100000186160_200025704644 [0,2,0,0,0,0|2,0,0]=4 1116 B12R1.48 COc1ccc(cc1F)[N+](=O)[O-] 34a_100000739697_200000210301 [0,2,0,0,0,0|0,0,0]=2 1117 B12R1.48 COc1ccc(cc1F)[N+](=O)[O-] 7a_100000739697_200000210301 [0,2,0,0,0,0|0,0,0]=2 1118 B12R1.48 COc1ccc(cc1I)C(=O)C 1458a_100000188716_200000210301 [0,2,0,0,0,0|2,0,0]=4 1119 B12R1.48 COc1ccc(cc1I)C(=O)[13CH3] 1458a_100000188716_200025704644 [0,2,0,0,0,0|2,0,0]=4 1120 B12R1.48 COc1ccc(cc1I)[N+](=O)[O-] 34a_100012047213_200000210301 [0,2,0,0,0,0|0,0,0]=2 1121 B12R1.48 COc1ccc(cc1I)[N+](=O)[O-] 7a_100012047213_200000210301 [0,2,0,0,0,0|0,0,0]=2 1122 B12R1.48 COc1ccc(cc1N)C(=O)C 34a_100000117292_200000210301 [0,2,0,0,0,0|2,0,0]=4 1123 B12R1.48 COc1ccc(cc1N)C(=O)C 7a_100000117292_200000210301 [0,2,0,0,0,0|2,0,0]=4 1124 B12R1.48 COc1ccc(cc1N)[N+](=O)[O-] 34a_100000181223_200000210301 [0,2,0,0,0,0|0,0,0]=2 1125 B12R1.48 COc1ccc(cc1N)[N+](=O)[O-] 7a_100000181223_200000210301 [0,2,0,0,0,0|0,0,0]=2 1126 B12R1.48 COc1ccc(cc1O)C(=O)C 1458a_100000766810_200000210301 [0,2,0,0,0,0|2,0,0]=4 1127 B12R1.48 COc1ccc(cc1O)C(=O)C 271570a_203496583355_100000185153 [0,2,0,0,0,0|2,0,0]=4 1128 B12R1.48 COc1ccc(cc1O)C(=O)[13CH3] 1458a_100000766810_200025704644 [0,2,0,0,0,0|2,0,0]=4 1129 B12R1.48 COc1ccc(nc1C)[N+](=O)[O-] 7a_100009862445_200000210301 [0,2,0,0,0,0|1,0,0]=3 1130 B12R1.48 COc1cnc(cc1C)[N+](=O)[O-] 7a_100015695027_200000210301 [0,2,0,0,0,0|1,0,0]=3 1131 B12R1.48 COc1ncc(cc1F)[N+](=O)[O-] 34a_100000100219_200000210301 [0,2,0,0,0,0|1,0,0]=3 1132 B12R1.48 Cc1cc(ccc1N[13CH3])[N+](=O)[O-] 2230a_100000184110_200025704644 [0,2,0,0,0,0|1,0,0]=3 1133 B12R1.48 Cc1cc(ccc1N[13CH3])[N+](=O)[O-] 34a_100000184110_200025704644 [0,2,0,0,0,0|1,0,0]=3 1134 B12R1.48 Cc1cc(ccc1N[13CH3])[N+](=O)[O-] 7a_100000184110_200025704644 [0,2,0,0,0,0|1,0,0]=3 1135 B12R1.48 Cc1cc(ccc1O[13CH3])[N+](=O)[O-] 34a_100000744956_200025704644 [0,2,0,0,0,0|0,0,0]=2 1136 B12R1.48 Cc1cc(ccc1O[13CH3])[N+](=O)[O-] 7a_100000744956_200025704644 [0,2,0,0,0,0|0,0,0]=2 1137 B12R1.48 Cc1cc(ncc1O[13CH3])[N+](=O)[O-] 7a_100015695027_200025704644 [0,2,0,0,0,0|1,0,0]=3 1138 B12R1.48 Cc1nc(ccc1O[13CH3])[N+](=O)[O-] 7a_100009862445_200025704644 [0,2,0,0,0,0|1,0,0]=3 1139 B12R1.48 [13CH3]C(=O)c1ccc(c(c1)F)CO 1458a_100000687192_200025704644 [0,2,0,0,0,0|2,0,0]=4 1140 B12R1.48 [13CH3]Nc1ccc(cc1Cl)[N+](=O)[O-] 34a_100000185723_200025704644 [0,2,0,0,0,0|1,0,0]=3 1141 B12R1.48 [13CH3]Nc1ccc(cc1F)[N+](=O)[O-] 34a_100000745739_200025704644 [0,2,0,0,0,0|1,0,0]=3 1142 B12R1.48 [13CH3]Oc1ccc(cc1Br)[N+](=O)[O-] 34a_100000756651_200025704644 [0,2,0,0,0,0|0,0,0]=2 1143 B12R1.48 [13CH3]Oc1ccc(cc1Br)[N+](=O)[O-] 7a_100000756651_200025704644 [0,2,0,0,0,0|0,0,0]=2 1144 B12R1.48 [13CH3]Oc1ccc(cc1Cl)C(=O)N 34a_200000192832_200025704644 [0,2,0,0,0,0|2,0,0]=4 1145 B12R1.48 [13CH3]Oc1ccc(cc1Cl)C(=O)N 7a_200000192832_200025704644 [0,2,0,0,0,0|2,0,0]=4 1146 B12R1.48 [13CH3]Oc1ccc(cc1Cl)[N+](=O)[O-] 34a_100000206008_200025704644 [0,2,0,0,0,0|0,0,0]=2 1147 B12R1.48 [13CH3]Oc1ccc(cc1Cl)[N+](=O)[O-] 7a_100000206008_200025704644 [0,2,0,0,0,0|0,0,0]=2 1148 B12R1.48 [13CH3]Oc1ccc(cc1F)[N+](=O)[O-] 34a_100000739697_200025704644 [0,2,0,0,0,0|0,0,0]=2 1149 B12R1.48 [13CH3]Oc1ccc(cc1F)[N+](=O)[O-] 7a_100000739697_200025704644 [0,2,0,0,0,0|0,0,0]=2 1150 B12R1.48 [13CH3]Oc1ccc(cc1I)[N+](=O)[O-] 34a_100012047213_200025704644 [0,2,0,0,0,0|0,0,0]=2 1151 B12R1.48 [13CH3]Oc1ccc(cc1I)[N+](=O)[O-] 7a_100012047213_200025704644 [0,2,0,0,0,0|0,0,0]=2 1152 B12R1.48 [13CH3]Oc1ccc(cc1N)[N+](=O)[O-] 34a_100000181223_200025704644 [0,2,0,0,0,0|0,0,0]=2 1153 B12R1.48 [13CH3]Oc1ccc(cc1N)[N+](=O)[O-] 7a_100000181223_200025704644 [0,2,0,0,0,0|0,0,0]=2 1154 B12R1.48 [13CH3]Oc1ncc(cc1F)[N+](=O)[O-] 34a_100000100219_200025704644 [0,2,0,0,0,0|1,0,0]=3 1155 B12R1.113 CC(=O)c1ccc(cc1)CCO 1458a_100000078963_200000210301 [0,2,0,0,0,0|2,0,0]=4 1156 B12R1.113 CC(=O)c1ccc(cc1)CO[13CH3] 7a_100000082505_200025704644 [0,2,0,0,0,0|2,0,0]=4 1157 B12R1.113 CC(=O)c1ccc(cc1)OCF 34a_100000185113_100015361967 [0,2,0,0,0,0|2,0,0]=4 1158 B12R1.113 CC(=O)c1ccc(cc1)OCF 7a_100000185113_100015361967 [0,2,0,0,0,0|2,0,0]=4 1159 B12R1.113 CCNc1ccc(cc1)[N+](=O)[O-] 2230a_100015195142_100000210202 [0,2,0,0,0,0|1,0,0]=3 1160 B12R1.113 CCNc1ccc(cc1)[N+](=O)[O-] 34a_100015195142_100000210202 [0,2,0,0,0,0|1,0,0]=3 1161 B12R1.113 CCOc1ccc(cc1)C(=O)C 1458a_100000181891_200000210301 [0,2,0,0,0,0|2,0,0]=4 1162 B12R1.113 CCOc1ccc(cc1)C(=O)C 34a_100000185113_100000210202 [0,2,0,0,0,0|2,0,0]=4 1163 B12R1.113 CCOc1ccc(cc1)C(=O)C 7a_100000185113_100000210202 [0,2,0,0,0,0|2,0,0]=4 1164 B12R1.113 CCOc1ccc(cc1)C(=O)N 34a_100000746352_100000210202 [0,2,0,0,0,0|2,0,0]=4 1165 B12R1.113 CCOc1ccc(cc1)C(=O)N 7a_100000746352_100000210202 [0,2,0,0,0,0|2,0,0]=4 1166 B12R1.113 CCOc1ccc(cc1)C(=O)[13CH3] 1458a_100000181891_200025704644 [0,2,0,0,0,0|2,0,0]=4 1167 B12R1.113 CCOc1ccc(cc1)S(=O)C 34a_200000064373_100000210202 [0,2,0,0,0,0|2,0,0]=4 1168 B12R1.113 CCOc1ccc(cc1)S(=O)C 7a_200000064373_100000210202 [0,2,0,0,0,0|2,0,0]=4 1169 B12R1.113 CCOc1ccc(cc1)[N+](=O)[O-] 34a_100000185810_100000210202 [0,2,0,0,0,0|0,0,0]=2 1170 B12R1.113 CCOc1ccc(cc1)[N+](=O)[O-] 7a_100000185810_100000210202 [0,2,0,0,0,0|0,0,0]=2 1171 B12R1.113 CCOc1ccc(nc1)[N+](=O)[O-] 7a_100000060138_100000210202 [0,2,0,0,0,0|1,0,0]=3 1172 B12R1.113 CNCc1ccc(cc1)C(=O)[O-] 26a_100102657272_100016998105 [0,2,0,0,0,0|2,0,0]=4 1173 B12R1.113 CNCc1ccc(cc1)[N+](=O)[O-] 207a_100102657272_100000189386 [0,2,0,0,0,0|1,0,0]=3 1174 B12R1.113 CNCc1ccc(cc1)[N+](=O)[O-] 2230a_100000742766_200000210301 [0,2,0,0,0,0|1,0,0]=3 1175 B12R1.113 CNCc1ccc(cc1)[N+](=O)[O-] 2230a_106832991635_100000181861 [0,2,0,0,0,0|1,0,0]=3 1176 B12R1.113 CNCc1ccc(cc1)[N+](=O)[O-] 26a_100102657272_100000185810 [0,2,0,0,0,0|1,0,0]=3 1177 B12R1.113 CNCc1ccc(cc1)[N+](=O)[O-] 270004a_106832991635_100000189386 [0,2,0,0,0,0|1,0,0]=3 1178 B12R1.113 CNCc1ccc(cc1)[N+](=O)[O-] 34a_100000742766_200000210301 [0,2,0,0,0,0|1,0,0]=3 1179 B12R1.113 CNCc1ccc(cc1)[N+](=O)[O-] 34a_100102657272_100000181861 [0,2,0,0,0,0|1,0,0]=3 1180 B12R1.113 CNCc1ccc(cc1)[N+](=O)[O-] 7a_106832991635_100000181861 [0,2,0,0,0,0|1,0,0]=3 1181 B12R1.113 COCc1ccc(cc1)C(=O)C 1458a_100000189608_200000210301 [0,2,0,0,0,0|2,0,0]=4 1182 B12R1.113 COCc1ccc(cc1)C(=O)C 34a_100138415774_100000756337 [0,2,0,0,0,0|2,0,0]=4 1183 B12R1.113 COCc1ccc(cc1)C(=O)C 7a_100000082505_200000210301 [0,2,0,0,0,0|2,0,0]=4 1184 B12R1.113 COCc1ccc(cc1)C(=O)N 34a_100000162016_200000210301 [0,2,0,0,0,0|2,0,0]=4 1185 B12R1.113 COCc1ccc(cc1)C(=O)N 34a_100138415774_100000231043 [0,2,0,0,0,0|2,0,0]=4 1186 B12R1.113 COCc1ccc(cc1)C(=O)N 7a_100000162016_200000210301 [0,2,0,0,0,0|2,0,0]=4 1187 B12R1.113 COCc1ccc(cc1)C(=O)[13CH3] 1458a_100000189608_200025704644 [0,2,0,0,0,0|2,0,0]=4 1188 B12R1.113 COCc1ccc(cc1)[N+](=O)[O-] 34a_100000211695_200000210301 [0,2,0,0,0,0|0,0,0]=2 1189 B12R1.113 COCc1ccc(cc1)[N+](=O)[O-] 34a_100138415774_100000181861 [0,2,0,0,0,0|0,0,0]=2 1190 B12R1.113 CS(=O)c1ccc(cc1)OCF 34a_200000064373_100015361967 [0,2,0,0,0,0|2,0,0]=4 1191 B12R1.113 CS(=O)c1ccc(cc1)OCF 7a_200000064373_100015361967 [0,2,0,0,0,0|2,0,0]=4 1192 B12R1.113 CSCc1ccc(cc1)[N+](=O)[O-] 62a_200000210301_100000184243 [0,2,0,0,0,0|0,1,0]=3 1193 B12R1.113 NC(=O)c1ccc(cc1)OCF 34a_100000746352_100015361967 [0,2,0,0,0,0|2,0,0]=4 1194 B12R1.113 NC(=O)c1ccc(cc1)OCF 7a_100000746352_100015361967 [0,2,0,0,0,0|2,0,0]=4 1195 B12R1.113 O=[N+]([O-])c1ccc(cc1)NCF 34a_100015195142_100015361967 [0,2,0,0,0,0|1,0,0]=3 1196 B12R1.113 O=[N+]([O-])c1ccc(cc1)OCF 34a_100000185810_100015361967 [0,2,0,0,0,0|0,0,0]=2 1197 B12R1.113 O=[N+]([O-])c1ccc(cc1)OCF 7a_100000185810_100015361967 [0,2,0,0,0,0|0,0,0]=2 1198 B12R1.113 O=[N+]([O-])c1ccc(cn1)OCF 7a_100000060138_100015361967 [0,2,0,0,0,0|1,0,0]=3 1199 B12R1.113 [13CH3]C(=O)c1ccc(cc1)CCO 1458a_100000078963_200025704644 [0,2,0,0,0,0|2,0,0]=4 1200 B12R1.113 [13CH3]NCc1ccc(cc1)[N+](=O)[O-] 2230a_100000742766_200025704644 [0,2,0,0,0,0|1,0,0]=3 1201 B12R1.113 [13CH3]NCc1ccc(cc1)[N+](=O)[O-] 34a_100000742766_200025704644 [0,2,0,0,0,0|1,0,0]=3 1202 B12R1.113 [13CH3]OCc1ccc(cc1)C(=O)N 34a_100000162016_200025704644 [0,2,0,0,0,0|2,0,0]=4 1203 B12R1.113 [13CH3]OCc1ccc(cc1)C(=O)N 7a_100000162016_200025704644 [0,2,0,0,0,0|2,0,0]=4 1204 B12R1.113 [13CH3]OCc1ccc(cc1)[N+](=O)[O-] 34a_100000211695_200025704644 [0,2,0,0,0,0|0,0,0]=2 1205 B12R1.113 [13CH3]SCc1ccc(cc1)[N+](=O)[O-] 62a_200025704644_100000184243 [0,2,0,0,0,0|0,1,0]=3 1206 B12R1.256 CC(=O)c1ccc(cc1)C(C)O 1458a_100000076921_200000210301 [0,2,0,0,0,0|2,0,0]=4 1207 B12R1.256 CC(=O)c1ccc(cc1)[N+](=O)[O-] 1458a_100000185811_200000210301 [0,2,0,0,0,0|0,0,1]=3 1208 B12R1.256 CC(O)c1ccc(cc1)C(=O)[13CH3] 1458a_100000076921_200025704644 [0,2,0,0,0,0|2,0,0]=4 1209 B12R1.256 CN(C)c1ccc(cc1)[N+](=O)[O-] 2230a_100000156523_200000210301 [0,2,0,0,0,0|1,0,0]=3 1210 B12R1.256 CN(C)c1ccc(cc1)[N+](=O)[O-] 269982a_100000156523_200000210301 [0,2,0,0,0,0|1,0,0]=3 1211 B12R1.256 CN(C)c1ccc(cc1)[N+](=O)[O-] 34a_100000156523_200000210301 [0,2,0,0,0,0|1,0,0]=3 1212 B12R1.256 CN([13CH3])c1ccc(cc1)[N+](=O)[O-] 2230a_100000156523_200025704644 [0,2,0,0,0,0|1,0,0]=3 1213 B12R1.256 CN([13CH3])c1ccc(cc1)[N+](=O)[O-] 269982a_100000156523_200025704644 [0,2,0,0,0,0|1,0,0]=3 1214 B12R1.256 CN([13CH3])c1ccc(cc1)[N+](=O)[O-] 34a_100000156523_200025704644 [0,2,0,0,0,0|1,0,0]=3 1215 B12R1.256 [13CH3]C(=O)c1ccc(cc1)[N+](=O)[O-] 1458a_100000185811_200025704644 [0,2,0,0,0,0|0,0,1]=3 1216 B12R1.452 CC(=O)c1ccc(cc1Br)O[13CH3] 34a_100012340537_200025704644 [0,2,0,0,0,0|2,0,0]=4 1217 B12R1.452 CC(=O)c1ccc(cc1Br)O[13CH3] 7a_100012340537_200025704644 [0,2,0,0,0,0|2,0,0]=4 1218 B12R1.452 CC(=O)c1ccc(cc1C)O[13CH3] 34a_100000702595_200025704644 [0,2,0,0,0,0|2,0,0]=4 1219 B12R1.452 CC(=O)c1ccc(cc1C)O[13CH3] 7a_100000702595_200025704644 [0,2,0,0,0,0|2,0,0]=4 1220 B12R1.452 CC(=O)c1ccc(cc1Cl)CO 1458a_100015659073_200000210301 [0,2,0,0,0,0|2,0,0]=4 1221 B12R1.452 CC(=O)c1ccc(cc1Cl)O[13CH3] 34a_100011933989_200025704644 [0,2,0,0,0,0|2,0,0]=4 1222 B12R1.452 CC(=O)c1ccc(cc1Cl)O[13CH3] 7a_100011933989_200025704644 [0,2,0,0,0,0|2,0,0]=4 1223 B12R1.452 CC(=O)c1ccc(cc1F)CO 1458a_100011934814_200000210301 [0,2,0,0,0,0|2,0,0]=4 1224 B12R1.452 CC(=O)c1ccc(cc1F)O[13CH3] 34a_100000752407_200025704644 [0,2,0,0,0,0|2,0,0]=4 1225 B12R1.452 CC(=O)c1ccc(cc1F)O[13CH3] 7a_100000752407_200025704644 [0,2,0,0,0,0|2,0,0]=4 1226 B12R1.452 CNc1ccc(c(c1)Br)[N+](=O)[O-] 7a_100000693983_200000210301 [0,2,0,0,0,0|1,0,0]=3 1227 B12R1.452 CNc1ccc(c(c1)C)[N+](=O)[O-] 34a_100000745639_200000210301 [0,2,0,0,0,0|1,0,0]=3 1228 B12R1.452 CNc1ccc(c(c1)C)[N+](=O)[O-] 7a_100000745639_200000210301 [0,2,0,0,0,0|1,0,0]=3 1229 B12R1.452 CNc1ccc(c(c1)F)[N+](=O)[O-] 34a_100000741728_200000210301 [0,2,0,0,0,0|1,0,0]=3 1230 B12R1.452 CNc1ccc(c(c1)F)[N+](=O)[O-] 7a_100000741728_200000210301 [0,2,0,0,0,0|1,0,0]=3 1231 B12R1.452 COc1ccc(c(c1)Br)C(=O)C 1458a_100000748873_200000210301 [0,2,0,0,0,0|2,0,0]=4 1232 B12R1.452 COc1ccc(c(c1)Br)C(=O)C 34a_100012340537_200000210301 [0,2,0,0,0,0|2,0,0]=4 1233 B12R1.452 COc1ccc(c(c1)Br)C(=O)C 7a_100012340537_200000210301 [0,2,0,0,0,0|2,0,0]=4 1234 B12R1.452 COc1ccc(c(c1)Br)C(=O)[13CH3] 1458a_100000748873_200025704644 [0,2,0,0,0,0|2,0,0]=4 1235 B12R1.452 COc1ccc(c(c1)Br)[N+](=O)[O-] 34a_100012356988_200000210301 [0,2,0,0,0,0|0,0,0]=2 1236 B12R1.452 COc1ccc(c(c1)Br)[N+](=O)[O-] 7a_100012356988_200000210301 [0,2,0,0,0,0|0,0,0]=2 1237 B12R1.452 COc1ccc(c(c1)C)C(=O)C 1458a_100000763155_200000210301 [0,2,0,0,0,0|2,0,0]=4 1238 B12R1.452 COc1ccc(c(c1)C)C(=O)C 34a_100000702595_200000210301 [0,2,0,0,0,0|2,0,0]=4 1239 B12R1.452 COc1ccc(c(c1)C)C(=O)C 7a_100000702595_200000210301 [0,2,0,0,0,0|2,0,0]=4 1240 B12R1.452 COc1ccc(c(c1)C)C(=O)[13CH3] 1458a_100000763155_200025704644 [0,2,0,0,0,0|2,0,0]=4 1241 B12R1.452 COc1ccc(c(c1)C)[N+](=O)[O-] 34a_100000195451_200000210301 [0,2,0,0,0,0|0,0,0]=2 1242 B12R1.452 COc1ccc(c(c1)C)[N+](=O)[O-] 7a_100000195451_200000210301 [0,2,0,0,0,0|0,0,0]=2 1243 B12R1.452 COc1ccc(c(c1)Cl)C(=O)C 1458a_100000753557_200000210301 [0,2,0,0,0,0|2,0,0]=4 1244 B12R1.452 COc1ccc(c(c1)Cl)C(=O)C 34a_100011933989_200000210301 [0,2,0,0,0,0|2,0,0]=4 1245 B12R1.452 COc1ccc(c(c1)Cl)C(=O)C 7a_100011933989_200000210301 [0,2,0,0,0,0|2,0,0]=4 1246 B12R1.452 COc1ccc(c(c1)Cl)C(=O)N 34a_100011997949_200000210301 [0,2,0,0,0,0|2,0,0]=4 1247 B12R1.452 COc1ccc(c(c1)Cl)C(=O)N 7a_100011997949_200000210301 [0,2,0,0,0,0|2,0,0]=4 1248 B12R1.452 COc1ccc(c(c1)Cl)C(=O)[13CH3] 1458a_100000753557_200025704644 [0,2,0,0,0,0|2,0,0]=4 1249 B12R1.452 COc1ccc(c(c1)Cl)[N+](=O)[O-] 34a_100000746235_200000210301 [0,2,0,0,0,0|0,0,0]=2 1250 B12R1.452 COc1ccc(c(c1)Cl)[N+](=O)[O-] 7a_100000746235_200000210301 [0,2,0,0,0,0|0,0,0]=2 1251 B12R1.452 COc1ccc(c(c1)F)C(=O)C 1458a_100000198494_200000210301 [0,2,0,0,0,0|2,0,0]=4 1252 B12R1.452 COc1ccc(c(c1)F)C(=O)C 34a_100000752407_200000210301 [0,2,0,0,0,0|2,0,0]=4 1253 B12R1.452 COc1ccc(c(c1)F)C(=O)C 7a_100000752407_200000210301 [0,2,0,0,0,0|2,0,0]=4 1254 B12R1.452 COc1ccc(c(c1)F)C(=O)N 34a_200012186767_200000210301 [0,2,0,0,0,0|2,0,0]=4 1255 B12R1.452 COc1ccc(c(c1)F)C(=O)N 7a_200012186767_200000210301 [0,2,0,0,0,0|2,0,0]=4 1256 B12R1.452 COc1ccc(c(c1)F)C(=O)[13CH3] 1458a_100000198494_200025704644 [0,2,0,0,0,0|2,0,0]=4 1257 B12R1.452 COc1ccc(c(c1)F)[N+](=O)[O-] 7a_100000745333_200000210301 [0,2,0,0,0,0|0,0,0]=2 1258 B12R1.452 COc1ccc(c(c1)I)C(=O)C 1458a_100000688016_200000210301 [0,2,0,0,0,0|2,0,0]=4 1259 B12R1.452 COc1ccc(c(c1)I)C(=O)[13CH3] 1458a_100000688016_200025704644 [0,2,0,0,0,0|2,0,0]=4 1260 B12R1.452 COc1ccc(c(c1)I)[N+](=O)[O-] 7a_100010243554_200000210301 [0,2,0,0,0,0|0,0,0]=2 1261 B12R1.452 COc1ccc(c(c1)N)C(=O)N 34a_100012186684_200000210301 [0,2,0,0,0,0|2,0,0]=4 1262 B12R1.452 COc1ccc(c(c1)N)C(=O)N 7a_100012186684_200000210301 [0,2,0,0,0,0|2,0,0]=4 1263 B12R1.452 COc1ccc(c(c1)N)[N+](=O)[O-] 7a_100000729835_200000210301 [0,2,0,0,0,0|0,0,0]=2 1264 B12R1.452 COc1ccc(c(c1)O)C(=O)C 1458a_100000212123_200000210301 [0,2,0,0,0,0|2,0,0]=4 1265 B12R1.452 COc1ccc(c(c1)O)C(=O)C 271570a_203496583355_100000697255 [0,2,0,0,0,0|2,0,0]=4 1266 B12R1.452 COc1ccc(c(c1)O)C(=O)N 271570a_203496583355_200009815664 [0,2,0,0,0,0|2,0,0]=4 1267 B12R1.452 COc1ccc(c(c1)O)C(=O)[13CH3] 1458a_100000212123_200025704644 [0,2,0,0,0,0|2,0,0]=4 1268 B12R1.452 Cc1cc(ccc1[N+](=O)[O-])N[13CH3] 34a_100000745639_200025704644 [0,2,0,0,0,0|1,0,0]=3 1269 B12R1.452 Cc1cc(ccc1[N+](=O)[O-])N[13CH3] 7a_100000745639_200025704644 [0,2,0,0,0,0|1,0,0]=3 1270 B12R1.452 Cc1cc(ccc1[N+](=O)[O-])O[13CH3] 34a_100000195451_200025704644 [0,2,0,0,0,0|0,0,0]=2 1271 B12R1.452 Cc1cc(ccc1[N+](=O)[O-])O[13CH3] 7a_100000195451_200025704644 [0,2,0,0,0,0|0,0,0]=2 1272 B12R1.452 [13CH3]C(=O)c1ccc(cc1Cl)CO 1458a_100015659073_200025704644 [0,2,0,0,0,0|2,0,0]=4 1273 B12R1.452 [13CH3]C(=O)c1ccc(cc1F)CO 1458a_100011934814_200025704644 [0,2,0,0,0,0|2,0,0]=4 1274 B12R1.452 [13CH3]Nc1ccc(c(c1)Br)[N+](=O)[O-] 7a_100000693983_200025704644 [0,2,0,0,0,0|1,0,0]=3 1275 B12R1.452 [13CH3]Nc1ccc(c(c1)F)[N+](=O)[O-] 34a_100000741728_200025704644 [0,2,0,0,0,0|1,0,0]=3 1276 B12R1.452 [13CH3]Nc1ccc(c(c1)F)[N+](=O)[O-] 7a_100000741728_200025704644 [0,2,0,0,0,0|1,0,0]=3 1277 B12R1.452 [13CH3]Oc1ccc(c(c1)Br)[N+](=O)[O-] 34a_100012356988_200025704644 [0,2,0,0,0,0|0,0,0]=2 1278 B12R1.452 [13CH3]Oc1ccc(c(c1)Br)[N+](=O)[O-] 7a_100012356988_200025704644 [0,2,0,0,0,0|0,0,0]=2 1279 B12R1.452 [13CH3]Oc1ccc(c(c1)Cl)C(=O)N 34a_100011997949_200025704644 [0,2,0,0,0,0|2,0,0]=4 1280 B12R1.452 [13CH3]Oc1ccc(c(c1)Cl)C(=O)N 7a_100011997949_200025704644 [0,2,0,0,0,0|2,0,0]=4 1281 B12R1.452 [13CH3]Oc1ccc(c(c1)Cl)[N+](=O)[O-] 34a_100000746235_200025704644 [0,2,0,0,0,0|0,0,0]=2 1282 B12R1.452 [13CH3]Oc1ccc(c(c1)Cl)[N+](=O)[O-] 7a_100000746235_200025704644 [0,2,0,0,0,0|0,0,0]=2 1283 B12R1.452 [13CH3]Oc1ccc(c(c1)F)C(=O)N 34a_200012186767_200025704644 [0,2,0,0,0,0|2,0,0]=4 1284 B12R1.452 [13CH3]Oc1ccc(c(c1)F)C(=O)N 7a_200012186767_200025704644 [0,2,0,0,0,0|2,0,0]=4 1285 B12R1.452 [13CH3]Oc1ccc(c(c1)F)[N+](=O)[O-] 7a_100000745333_200025704644 [0,2,0,0,0,0|0,0,0]=2 1286 B12R1.452 [13CH3]Oc1ccc(c(c1)I)[N+](=O)[O-] 7a_100010243554_200025704644 [0,2,0,0,0,0|0,0,0]=2 1287 B12R1.452 [13CH3]Oc1ccc(c(c1)N)C(=O)N 34a_100012186684_200025704644 [0,2,0,0,0,0|2,0,0]=4 1288 B12R1.452 [13CH3]Oc1ccc(c(c1)N)C(=O)N 7a_100012186684_200025704644 [0,2,0,0,0,0|2,0,0]=4 1289 B12R1.452 [13CH3]Oc1ccc(c(c1)N)[N+](=O)[O-] 7a_100000729835_200025704644 [0,2,0,0,0,0|0,0,0]=2 1290 B12R1.9 CC(C)(C=O)c1ccc(cc1)O 271570a_203496583355_100010228009 [0,2,0,0,0,0|2,0,0]=4 1291 B12R1.9 CCS(=O)(=O)c1ccc(cc1)O 271570a_203496583355_100000765143 [0,2,0,0,0,0|1,0,1]=4 1292 B12R1.9 CNS(=O)(=O)c1ccc(cc1)O 270084a_100102657272_100020667864 [0,2,0,0,0,0|1,0,1]=4 1293 B12R1.9 CNS(=O)(=O)c1ccc(cc1)O 271570a_203496583355_100000754977 [0,2,0,0,0,0|1,0,1]=4 1294 B12R1.9 CNS(=O)(=O)c1ccc(cc1)O 274078a_100102657272_100020667864 [0,2,0,0,0,0|1,0,1]=4 1295 B12R1.9 COS(=O)(=O)c1ccc(cc1)O 271570a_203496583355_100000004522 [0,2,0,0,0,0|1,0,1]=4 1296 B12R1.9 NNS(=O)(=O)c1ccc(cc1)O 271570a_203496583355_100000183514 [0,2,0,0,0,0|1,0,1]=4 1297 B12R1.23 CS(=O)(=O)c1ccc(c(c1)F)O 271570a_203496583355_100010234714 [0,2,0,0,0,0|1,0,1]=4 1298 B12R1.23 CS(=O)(=O)c1ccc(c(c1)N)O 271570a_203496583355_200015322649 [0,2,0,0,0,0|1,0,1]=4 1299 B12R1.23 Cc1cc(ccc1O)S(=O)(=O)C 271570a_203496583355_200010713620 [0,2,0,0,0,0|1,0,1]=4 1300 B12R1.23 Cc1cc(ccc1O)S(=O)(=O)N 271570a_203496583355_100000164573 [0,2,0,0,0,0|1,0,1]=4 1301 B12R1.23 NS(=O)(=O)c1ccc(c(c1)F)O 271570a_203496583355_100011217219 [0,2,0,0,0,0|1,0,1]=4 1302 B12R1.23 Nc1cc(ccc1O)S(=O)(=O)N 271570a_203496583355_100011222944 [0,2,0,0,0,0|1,0,1]=4 1303 B12R1.126 CS(=O)(=O)c1ccc(cc1F)O 271570a_203496583355_100010245844 [0,2,0,0,0,0|1,0,1]=4 1304 B12R1.126 Cc1cc(ccc1S(=O)(=O)C)O 271570a_203496583355_100010713630 [0,2,0,0,0,0|1,0,1]=4 1305 B12R1.126 Cc1cc(ccc1S(=O)(=O)N)O 271570a_203496583355_100011269632 [0,2,0,0,0,0|1,0,1]=4 1306 B12R1.126 NS(=O)(=O)c1ccc(cc1F)O 271570a_203496583355_100011219832 [0,2,0,0,0,0|1,0,1]=4 1307 B12R1.56 C=Cc1cc(ccc1O)C(=O)C 271570a_100011290941_100011772453 [0,2,0,0,0,0|2,0,0]=4 1308 B12R1.56 CC(=O)c1ccc(c(c1)C#N)O 1458a_100009875055_200000210301 [0,2,0,0,0,0|2,0,0]=4 1309 B12R1.56 CC(=O)c1ccc(c(c1)C#N)O 271570a_203496583355_100010125495 [0,2,0,0,0,0|2,0,0]=4 1310 B12R1.56 CC(=O)c1ccc(c(c1)S[13CH3])O 62a_100011772453_200025704644 [0,2,0,0,0,0|2,0,0]=4 1311 B12R1.56 CNc1cc(ccc1C)[N+](=O)[O-] 34a_100000184112_200000210301 [0,2,0,0,0,0|1,0,0]=3 1312 B12R1.56 CNc1cc(ccc1C)[N+](=O)[O-] 7a_100000184112_200000210301 [0,2,0,0,0,0|1,0,0]=3 1313 B12R1.56 CNc1cc(ccc1Cl)[N+](=O)[O-] 34a_100000186089_200000210301 [0,2,0,0,0,0|1,0,0]=3 1314 B12R1.56 CNc1cc(ccc1F)[N+](=O)[O-] 34a_100000185768_200000210301 [0,2,0,0,0,0|1,0,0]=3 1315 B12R1.56 CNc1cc(ccc1O)[N+](=O)[O-] 7a_100000181223_200000210301 [0,2,0,0,0,0|0,0,0]=2 1316 B12R1.56 COc1cc(ccc1Br)[N+](=O)[O-] 34a_100000691124_200000210301 [0,2,0,0,0,0|1,0,0]=3 1317 B12R1.56 COc1cc(ccc1Br)[N+](=O)[O-] 7a_100000691124_200000210301 [0,2,0,0,0,0|1,0,0]=3 1318 B12R1.56 COc1cc(ccc1C)[N+](=O)[O-] 34a_100000740739_200000210301 [0,2,0,0,0,0|1,0,0]=3 1319 B12R1.56 COc1cc(ccc1C)[N+](=O)[O-] 7a_100000740739_200000210301 [0,2,0,0,0,0|1,0,0]=3 1320 B12R1.56 COc1cc(ccc1Cl)[N+](=O)[O-] 34a_100000188705_200000210301 [0,2,0,0,0,0|1,0,0]=3 1321 B12R1.56 COc1cc(ccc1Cl)[N+](=O)[O-] 7a_100000188705_200000210301 [0,2,0,0,0,0|1,0,0]=3 1322 B12R1.56 COc1cc(ccc1F)[N+](=O)[O-] 34a_100011294461_200000210301 [0,2,0,0,0,0|1,0,0]=3 1323 B12R1.56 COc1cc(ccc1F)[N+](=O)[O-] 7a_100011294461_200000210301 [0,2,0,0,0,0|1,0,0]=3 1324 B12R1.56 COc1cc(ccc1I)[N+](=O)[O-] 34a_100000072739_200000210301 [0,2,0,0,0,0|1,0,0]=3 1325 B12R1.56 COc1cc(ccc1I)[N+](=O)[O-] 7a_100000072739_200000210301 [0,2,0,0,0,0|1,0,0]=3 1326 B12R1.56 COc1cc(ccc1N)[N+](=O)[O-] 34a_100000210499_200000210301 [0,2,0,0,0,0|1,0,0]=3 1327 B12R1.56 COc1cc(ccc1N)[N+](=O)[O-] 7a_100000210499_200000210301 [0,2,0,0,0,0|1,0,0]=3 1328 B12R1.56 COc1cc(ccc1O)C(=O)C 1458a_100000687070_200000210301 [0,2,0,0,0,0|2,0,0]=4 1329 B12R1.56 COc1cc(ccc1O)C(=O)C 271570a_203496583355_100010110075 [0,2,0,0,0,0|2,0,0]=4 1330 B12R1.56 COc1cc(ccc1O)C(=O)N 271570a_203496583355_100009817049 [0,2,0,0,0,0|2,0,0]=4 1331 B12R1.56 COc1cc(ccc1O)C(=O)[13CH3] 1458a_100000687070_200025704644 [0,2,0,0,0,0|2,0,0]=4 1332 B12R1.56 COc1cc(cnc1Cl)[N+](=O)[O-] 34a_200010746660_200000210301 [0,2,0,0,0,0|2,0,0]=4 1333 B12R1.56 COc1cc(cnc1Cl)[N+](=O)[O-] 7a_200010746660_200000210301 [0,2,0,0,0,0|2,0,0]=4 1334 B12R1.56 COc1cc(cnc1N)[N+](=O)[O-] 34a_100009863383_200000210301 [0,2,0,0,0,0|2,0,0]=4 1335 B12R1.56 COc1cc(cnc1N)[N+](=O)[O-] 7a_100009863383_200000210301 [0,2,0,0,0,0|2,0,0]=4 1336 B12R1.56 CSc1cc(ccc1O)C(=O)C 62a_100011772453_200000210301 [0,2,0,0,0,0|2,0,0]=4 1337 B12R1.56 Cc1ccc(cc1N[13CH3])[N+](=O)[O-] 34a_100000184112_200025704644 [0,2,0,0,0,0|1,0,0]=3 1338 B12R1.56 Cc1ccc(cc1N[13CH3])[N+](=O)[O-] 7a_100000184112_200025704644 [0,2,0,0,0,0|1,0,0]=3 1339 B12R1.56 Cc1ccc(cc1O[13CH3])[N+](=O)[O-] 34a_100000740739_200025704644 [0,2,0,0,0,0|1,0,0]=3 1340 B12R1.56 Cc1ccc(cc1O[13CH3])[N+](=O)[O-] 7a_100000740739_200025704644 [0,2,0,0,0,0|1,0,0]=3 1341 B12R1.56 [13CH3]C(=O)c1ccc(c(c1)C#N)O 1458a_100009875055_200025704644 [0,2,0,0,0,0|2,0,0]=4 1342 B12R1.56 [13CH3]Nc1cc(ccc1Cl)[N+](=O)[O-] 34a_100000186089_200025704644 [0,2,0,0,0,0|1,0,0]=3 1343 B12R1.56 [13CH3]Nc1cc(ccc1F)[N+](=O)[O-] 34a_100000185768_200025704644 [0,2,0,0,0,0|1,0,0]=3 1344 B12R1.56 [13CH3]Nc1cc(ccc1O)[N+](=O)[O-] 7a_100000181223_200025704644 [0,2,0,0,0,0|0,0,0]=2 1345 B12R1.56 [13CH3]Oc1cc(ccc1Br)[N+](=O)[O-] 34a_100000691124_200025704644 [0,2,0,0,0,0|1,0,0]=3 1346 B12R1.56 [13CH3]Oc1cc(ccc1Br)[N+](=O)[O-] 7a_100000691124_200025704644 [0,2,0,0,0,0|1,0,0]=3 1347 B12R1.56 [13CH3]Oc1cc(ccc1Cl)[N+](=O)[O-] 34a_100000188705_200025704644 [0,2,0,0,0,0|1,0,0]=3 1348 B12R1.56 [13CH3]Oc1cc(ccc1Cl)[N+](=O)[O-] 7a_100000188705_200025704644 [0,2,0,0,0,0|1,0,0]=3 1349 B12R1.56 [13CH3]Oc1cc(ccc1F)[N+](=O)[O-] 34a_100011294461_200025704644 [0,2,0,0,0,0|1,0,0]=3 1350 B12R1.56 [13CH3]Oc1cc(ccc1F)[N+](=O)[O-] 7a_100011294461_200025704644 [0,2,0,0,0,0|1,0,0]=3 1351 B12R1.56 [13CH3]Oc1cc(ccc1I)[N+](=O)[O-] 34a_100000072739_200025704644 [0,2,0,0,0,0|1,0,0]=3 1352 B12R1.56 [13CH3]Oc1cc(ccc1I)[N+](=O)[O-] 7a_100000072739_200025704644 [0,2,0,0,0,0|1,0,0]=3 1353 B12R1.56 [13CH3]Oc1cc(ccc1N)[N+](=O)[O-] 34a_100000210499_200025704644 [0,2,0,0,0,0|1,0,0]=3 1354 B12R1.56 [13CH3]Oc1cc(ccc1N)[N+](=O)[O-] 7a_100000210499_200025704644 [0,2,0,0,0,0|1,0,0]=3 1355 B12R1.56 [13CH3]Oc1cc(cnc1Cl)[N+](=O)[O-] 34a_200010746660_200025704644 [0,2,0,0,0,0|2,0,0]=4 1356 B12R1.56 [13CH3]Oc1cc(cnc1Cl)[N+](=O)[O-] 7a_200010746660_200025704644 [0,2,0,0,0,0|2,0,0]=4 1357 B12R1.56 [13CH3]Oc1cc(cnc1N)[N+](=O)[O-] 34a_100009863383_200025704644 [0,2,0,0,0,0|2,0,0]=4 1358 B12R1.56 [13CH3]Oc1cc(cnc1N)[N+](=O)[O-] 7a_100009863383_200025704644 [0,2,0,0,0,0|2,0,0]=4 1359 B12R1.232 CC(=O)c1cc(c(cc1F)O)Cl 1458a_200009924051_200000210301 [0,2,0,0,0,0|2,0,0]=4 1360 B12R1.232 CC(=O)c1cc(c(cc1F)O)F 271570a_203496583355_100012024335 [0,2,0,0,0,0|2,0,0]=4 1361 B12R1.232 CC(=O)c1cc(c(cc1O)O)Br 1458a_100009813906_200000210301 [0,2,0,0,0,0|2,0,0]=4 1362 B12R1.232 CC(=O)c1cc(c(cc1O)O)C 271570a_203496583355_100009816031 [0,2,0,0,0,0|2,0,0]=4 1363 B12R1.232 CC(=O)c1cc(c(cc1O)O)F 271570a_203496583355_200010245088 [0,2,0,0,0,0|2,0,0]=4 1364 B12R1.232 NC(=O)c1cc(c(cc1F)O)F 271570a_203496583355_100010244962 [0,2,0,0,0,0|2,0,0]=4 1365 B12R1.232 [13CH3]C(=O)c1cc(c(cc1F)O)Cl 1458a_200009924051_200025704644 [0,2,0,0,0,0|2,0,0]=4 1366 B12R1.232 [13CH3]C(=O)c1cc(c(cc1O)O)Br 1458a_100009813906_200025704644 [0,2,0,0,0,0|2,0,0]=4 1367 B12R1.367 CCC(=O)c1ccc(c(c1)Br)O 1458a_100000189672_100000210202 [0,2,0,0,0,0|2,0,0]=4 1368 B12R1.367 CCC(=O)c1ccc(c(c1)C)O 1458a_100000685612_100000210202 [0,2,0,0,0,0|2,0,0]=4 1369 B12R1.367 CCC(=O)c1ccc(c(c1)C)O 271570a_203496583355_200012349626 [0,2,0,0,0,0|2,0,0]=4 1370 B12R1.367 CCC(=O)c1ccc(c(c1)Cl)O 1458a_100000212196_100000210202 [0,2,0,0,0,0|2,0,0]=4 1371 B12R1.367 CCC(=O)c1ccc(c(c1)F)O 1458a_100000185466_100000210202 [0,2,0,0,0,0|2,0,0]=4 1372 B12R1.367 CCC(=O)c1ccc(c(c1)I)O 1458a_100000037485_100000210202 [0,2,0,0,0,0|2,0,0]=4 1373 B12R1.367 CCC(=O)c1ccc(c(c1)O)O 1458a_100000212155_100000210202 [0,2,0,0,0,0|2,0,0]=4 1374 B12R1.367 CNC(=O)c1ccc(c(c1)Br)O 240690a_100102657272_100000189672 [0,2,0,0,0,0|2,0,0]=4 1375 B12R1.367 CNC(=O)c1ccc(c(c1)C)O 240690a_100102657272_100000685612 [0,2,0,0,0,0|2,0,0]=4 1376 B12R1.367 CNC(=O)c1ccc(c(c1)C)O 271570a_203496583355_200013065384 [0,2,0,0,0,0|2,0,0]=4 1377 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)O 240690a_100102657272_100000212196 [0,2,0,0,0,0|2,0,0]=4 1378 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)O 527a_100102657272_100000212196 [0,2,0,0,0,0|2,0,0]=4 1379 B12R1.367 CNC(=O)c1ccc(c(c1)F)O 240690a_100102657272_100000185466 [0,2,0,0,0,0|2,0,0]=4 1380 B12R1.367 CNC(=O)c1ccc(c(c1)F)O 527a_100102657272_100000185466 [0,2,0,0,0,0|2,0,0]=4 1381 B12R1.367 CNC(=O)c1ccc(c(c1)I)O 1626a_100102657272_100000037485 [0,2,0,0,0,0|2,0,0]=4 1382 B12R1.367 CNC(=O)c1ccc(c(c1)I)O 240690a_100102657272_100000037485 [0,2,0,0,0,0|2,0,0]=4 1383 B12R1.367 COC(=O)c1ccc(c(c1)Br)O 271570a_203496583355_100011294788 [0,2,0,0,0,0|1,0,1]=4 1384 B12R1.367 COC(=O)c1ccc(c(c1)C)O 271570a_203496583355_100011215878 [0,2,0,0,0,0|1,0,1]=4 1385 B12R1.367 COC(=O)c1ccc(c(c1)Cl)O 271570a_203496583355_100012356344 [0,2,0,0,0,0|1,0,1]=4 1386 B12R1.367 COC(=O)c1ccc(c(c1)F)O 271570a_203496583355_100000703229 [0,2,0,0,0,0|1,0,1]=4 1387 B12R1.367 COC(=O)c1ccc(c(c1)N)O 271570a_203496583355_100011450966 [0,2,0,0,0,0|1,0,1]=4 1388 B12R1.367 COC(=O)c1ccc(c(c1)O)O 271570a_203496583355_100000216328 [0,2,0,0,0,0|1,0,1]=4 1389 B12R1.367 COC(=O)c1ccc(c(c1)O)O 271570a_203496583355_100012350776 [0,2,0,0,0,0|1,0,1]=4 1390 B12R1.367 Cc1cc(ccc1O)C(=O)CF 1458a_100000685612_100015361967 [0,2,0,0,0,0|2,0,0]=4 1391 B12R1.367 Cc1cc(ccc1O)C(=O)NN 271570a_203496583355_100012339724 [0,2,0,0,0,0|2,0,0]=4 1392 B12R1.367 NCC(=O)c1ccc(c(c1)F)O 271570a_203496583355_100016989600 [0,2,0,0,0,0|2,0,0]=4 1393 B12R1.367 O=C(CF)c1ccc(c(c1)Br)O 1458a_100000189672_100015361967 [0,2,0,0,0,0|2,0,0]=4 1394 B12R1.367 O=C(CF)c1ccc(c(c1)Cl)O 1458a_100000212196_100015361967 [0,2,0,0,0,0|2,0,0]=4 1395 B12R1.367 O=C(CF)c1ccc(c(c1)F)O 1458a_100000185466_100015361967 [0,2,0,0,0,0|2,0,0]=4 1396 B12R1.367 O=C(CF)c1ccc(c(c1)I)O 1458a_100000037485_100015361967 [0,2,0,0,0,0|2,0,0]=4 1397 B12R1.367 O=C(CF)c1ccc(c(c1)O)O 1458a_100000212155_100015361967 [0,2,0,0,0,0|2,0,0]=4 1398 B12R1.893 CC(=O)c1ccc(c(c1Cl)O)O 1458a_100009910189_200000210301 [0,2,0,0,0,0|2,0,0]=4 1399 B12R1.893 CC(=O)c1ccc(c(c1F)F)O 1458a_100000036740_200000210301 [0,2,0,0,0,0|2,0,0]=4 1400 B12R1.893 CC(=O)c1ccc(c(c1F)F)O 271570a_203496583355_100010174444 [0,2,0,0,0,0|2,0,0]=4 1401 B12R1.893 CC(=O)c1ccc(c(c1O)O)O 1458a_100000037941_200000210301 [0,2,0,0,0,0|2,0,0]=4 1402 B12R1.893 [13CH3]C(=O)c1ccc(c(c1Cl)O)O 1458a_100009910189_200025704644 [0,2,0,0,0,0|2,0,0]=4 1403 B12R1.893 [13CH3]C(=O)c1ccc(c(c1F)F)O 1458a_100000036740_200025704644 [0,2,0,0,0,0|2,0,0]=4 1404 B12R1.893 [13CH3]C(=O)c1ccc(c(c1O)O)O 1458a_100000037941_200025704644 [0,2,0,0,0,0|2,0,0]=4 1405 B12R1.1005 CC(=O)c1cc(c(c(c1)Br)O)Br 1458a_100000692688_200000210301 [0,2,0,0,0,0|2,0,0]=4 1406 B12R1.1005 CC(=O)c1cc(c(c(c1)Br)O)O 1458a_200009992764_200000210301 [0,2,0,0,0,0|2,0,0]=4 1407 B12R1.1005 CC(=O)c1cc(c(c(c1)C)O)C 1458a_100011219978_200000210301 [0,2,0,0,0,0|2,0,0]=4 1408 B12R1.1005 CC(=O)c1cc(c(c(c1)Cl)O)Cl 1458a_100000184433_200000210301 [0,2,0,0,0,0|2,0,0]=4 1409 B12R1.1005 CC(=O)c1cc(c(c(c1)Cl)O)O 1458a_200000078382_200000210301 [0,2,0,0,0,0|2,0,0]=4 1410 B12R1.1005 CC(=O)c1cc(c(c(c1)F)O)F 1458a_100000766045_200000210301 [0,2,0,0,0,0|2,0,0]=4 1411 B12R1.1005 CC(=O)c1cc(c(c(c1)F)O)F 271570a_203496583355_100010371124 [0,2,0,0,0,0|2,0,0]=4 1412 B12R1.1005 CC(=O)c1cc(c(c(c1)I)O)I 1458a_100000034356_200000210301 [0,2,0,0,0,0|2,0,0]=4 1413 B12R1.1005 CC(=O)c1cc(c(c(c1)O)O)O 1458a_100000212154_200000210301 [0,2,0,0,0,0|2,0,0]=4 1414 B12R1.1005 Cc1cc(cc(c1O)C)C(=O)N 271570a_203496583355_200009816865 [0,2,0,0,0,0|2,0,0]=4 1415 B12R1.1005 Cc1cc(cc(c1O)C)C(=O)[13CH3] 1458a_100011219978_200025704644 [0,2,0,0,0,0|2,0,0]=4 1416 B12R1.1005 NC(=O)c1cc(c(c(c1)O)O)O 271570a_203496583355_200009814324 [0,2,0,0,0,0|2,0,0]=4 1417 B12R1.1005 [13CH3]C(=O)c1cc(c(c(c1)Br)O)Br 1458a_100000692688_200025704644 [0,2,0,0,0,0|2,0,0]=4 1418 B12R1.1005 [13CH3]C(=O)c1cc(c(c(c1)Br)O)O 1458a_200009992764_200025704644 [0,2,0,0,0,0|2,0,0]=4 1419 B12R1.1005 [13CH3]C(=O)c1cc(c(c(c1)Cl)O)Cl 1458a_100000184433_200025704644 [0,2,0,0,0,0|2,0,0]=4 1420 B12R1.1005 [13CH3]C(=O)c1cc(c(c(c1)Cl)O)O 1458a_200000078382_200025704644 [0,2,0,0,0,0|2,0,0]=4 1421 B12R1.1005 [13CH3]C(=O)c1cc(c(c(c1)F)O)F 1458a_100000766045_200025704644 [0,2,0,0,0,0|2,0,0]=4 1422 B12R1.1005 [13CH3]C(=O)c1cc(c(c(c1)I)O)I 1458a_100000034356_200025704644 [0,2,0,0,0,0|2,0,0]=4 1423 B12R1.1005 [13CH3]C(=O)c1cc(c(c(c1)O)O)O 1458a_100000212154_200025704644 [0,2,0,0,0,0|2,0,0]=4 1424 B12R1.16 C#CCC(=O)c1ccc(cc1)O 1458a_100000212099_100000184674 [0,2,0,0,0,0|2,0,0]=4 1425 B12R1.16 C=CCC(=O)c1ccc(cc1)O 1458a_100000212099_100000210623 [0,2,0,0,0,0|2,0,0]=4 1426 B12R1.16 CC#CC(=O)c1ccc(cc1)O 271570a_203496583355_100153741113 [0,2,0,0,0,0|2,0,0]=4 1427 B12R1.16 CCCC(=O)c1ccc(cc1)O 1458a_100000212099_100000210303 [0,2,0,0,0,0|2,0,0]=4 1428 B12R1.16 CCCC(=O)c1ccc(cc1)O 271570a_203496583355_100011267722 [0,2,0,0,0,0|2,0,0]=4 1429 B12R1.16 CCNC(=O)c1ccc(cc1)O 240690a_100015525214_100000212099 [0,2,0,0,0,0|2,0,0]=4 1430 B12R1.16 CCNC(=O)c1ccc(cc1)O 271570a_203496583355_100000155177 [0,2,0,0,0,0|2,0,0]=4 1431 B12R1.16 CCNC(=O)c1ccc(cc1)O 527a_100015525214_100000212099 [0,2,0,0,0,0|2,0,0]=4 1432 B12R1.16 CCOC(=O)c1ccc(cc1)O 271570a_203496583355_100000170077 [0,2,0,0,0,0|1,0,1]=4 1433 B12R1.16 CN(CC=O)c1ccc(cc1)O 269982a_100000182112_200015260668 [0,2,0,0,0,0|1,0,1]=4 1434 B12R1.16 CN(CC=O)c1ccc(cc1)O 34a_100000182112_200009817547 [0,2,0,0,0,0|1,0,1]=4 1435 B12R1.16 CNCC(=O)c1ccc(cc1)O 34a_100102657272_100009814261 [0,2,0,0,0,0|2,0,0]=4 1436 B12R1.16 CNCC(=O)c1ccc(cc1)O 7a_106832991635_100000018856 [0,2,0,0,0,0|2,0,0]=4 1437 B12R1.16 CNNC(=O)c1ccc(cc1)O 22a_100016993582_100000212099 [0,2,0,0,0,0|2,0,0]=4 1438 B12R1.16 COCC(=O)c1ccc(cc1)O 271570a_203496583355_200011343064 [0,2,0,0,0,0|1,0,1]=4 1439 B12R1.16 COCC(=O)c1ccc(cc1)O 34a_100138415774_100009814261 [0,2,0,0,0,0|1,0,1]=4 1440 B12R1.16 CSCC(=O)c1ccc(cc1)O 62a_100009814261_200000210301 [0,2,0,0,0,0|1,1,0]=4 1441 B12R1.16 CSCC(=O)c1ccc(cc1)O 62a_200000210301_100009814261 [0,2,0,0,0,0|1,1,0]=4 1442 B12R1.16 N#CCC(=O)c1ccc(cc1)O 1458a_100000212099_100011214920 [0,2,0,0,0,0|2,0,0]=4 1443 B12R1.16 N#CCC(=O)c1ccc(cc1)O 271570a_203496583355_100000740217 [0,2,0,0,0,0|2,0,0]=4 1444 B12R1.16 O=C(CCF)c1ccc(cc1)O 1458a_100000212099_100011217306 [0,2,0,0,0,0|2,0,0]=4 1445 B12R1.16 O=C(CCO)c1ccc(cc1)O 1458a_100000212099_100000211926 [0,2,0,0,0,0|1,0,1]=4 1446 B12R1.16 [13CH3]SCC(=O)c1ccc(cc1)O 62a_100009814261_200025704644 [0,2,0,0,0,0|1,1,0]=4 1447 B12R1.16 [13CH3]SCC(=O)c1ccc(cc1)O 62a_200025704644_100009814261 [0,2,0,0,0,0|1,1,0]=4 1448 B12R1.1703 CCC(=O)c1ccc(cc1Br)O 1458a_100012344906_100000210202 [0,2,0,0,0,0|2,0,0]=4 1449 B12R1.1703 CCC(=O)c1ccc(cc1C)O 1458a_100000692822_100000210202 [0,2,0,0,0,0|2,0,0]=4 1450 B12R1.1703 CCC(=O)c1ccc(cc1C)O 271570a_203496583355_200012361375 [0,2,0,0,0,0|2,0,0]=4 1451 B12R1.1703 CCC(=O)c1ccc(cc1Cl)O 1458a_100000702456_100000210202 [0,2,0,0,0,0|2,0,0]=4 1452 B12R1.1703 CCC(=O)c1ccc(cc1F)O 1458a_100000689029_100000210202 [0,2,0,0,0,0|2,0,0]=4 1453 B12R1.1703 CCC(=O)c1ccc(cc1F)O 271570a_203496583355_100012360378 [0,2,0,0,0,0|2,0,0]=4 1454 B12R1.1703 CCC(=O)c1ccc(cc1O)O 1458a_100000212172_100000210202 [0,2,0,0,0,0|2,0,0]=4 1455 B12R1.1703 CNC(=O)c1ccc(cc1Br)O 240690a_100102657272_100012344906 [0,2,0,0,0,0|2,0,0]=4 1456 B12R1.1703 CNC(=O)c1ccc(cc1Br)O 527a_100102657272_100012344906 [0,2,0,0,0,0|2,0,0]=4 1457 B12R1.1703 CNC(=O)c1ccc(cc1C)O 240690a_100102657272_100000692822 [0,2,0,0,0,0|2,0,0]=4 1458 B12R1.1703 CNC(=O)c1ccc(cc1C)O 527a_100102657272_100000692822 [0,2,0,0,0,0|2,0,0]=4 1459 B12R1.1703 CNC(=O)c1ccc(cc1Cl)O 240690a_100102657272_100000702456 [0,2,0,0,0,0|2,0,0]=4 1460 B12R1.1703 CNC(=O)c1ccc(cc1Cl)O 527a_100102657272_100000702456 [0,2,0,0,0,0|2,0,0]=4 1461 B12R1.1703 CNC(=O)c1ccc(cc1F)O 240690a_100102657272_100000689029 [0,2,0,0,0,0|2,0,0]=4 1462 B12R1.1703 CNC(=O)c1ccc(cc1F)O 271570a_203496583355_100000233932 [0,2,0,0,0,0|2,0,0]=4 1463 B12R1.1703 CNC(=O)c1ccc(cc1F)O 527a_100102657272_100000689029 [0,2,0,0,0,0|2,0,0]=4 1464 B12R1.1703 COC(=O)c1ccc(cc1Br)O 271570a_203496583355_100010247156 [0,2,0,0,0,0|1,0,1]=4 1465 B12R1.1703 COC(=O)c1ccc(cc1C)O 271570a_203496583355_100000747612 [0,2,0,0,0,0|1,0,1]=4 1466 B12R1.1703 COC(=O)c1ccc(cc1Cl)O 271570a_203496583355_100000060724 [0,2,0,0,0,0|1,0,1]=4 1467 B12R1.1703 COC(=O)c1ccc(cc1F)O 271570a_203496583355_100000216654 [0,2,0,0,0,0|1,0,1]=4 1468 B12R1.1703 COC(=O)c1ccc(cc1N)O 271570a_203496583355_100011373473 [0,2,0,0,0,0|1,0,1]=4 1469 B12R1.1703 COC(=O)c1ccc(cc1O)O 271570a_203496583355_100000062286 [0,2,0,0,0,0|1,0,1]=4 1470 B12R1.1703 COC(=O)c1ccc(cc1O)O 271570a_203496583355_100010150825 [0,2,0,0,0,0|1,0,1]=4 1471 B12R1.1703 Cc1cc(ccc1C(=O)CF)O 1458a_100000692822_100015361967 [0,2,0,0,0,0|2,0,0]=4 1472 B12R1.1703 O=C(CF)c1ccc(cc1Br)O 1458a_100012344906_100015361967 [0,2,0,0,0,0|2,0,0]=4 1473 B12R1.1703 O=C(CF)c1ccc(cc1Cl)O 1458a_100000702456_100015361967 [0,2,0,0,0,0|2,0,0]=4 1474 B12R1.1703 O=C(CF)c1ccc(cc1F)O 1458a_100000689029_100015361967 [0,2,0,0,0,0|2,0,0]=4 1475 B12R1.1703 O=C(CF)c1ccc(cc1O)O 1458a_100000212172_100015361967 [0,2,0,0,0,0|2,0,0]=4 1476 B12R1.57 C=Cc1cc(ccc1C(=O)C)O 271570a_100011290941_100012340537 [0,2,0,0,0,0|2,0,0]=4 1477 B12R1.57 CC(=O)c1ccc(cc1S[13CH3])O 62a_100012340537_200025704644 [0,2,0,0,0,0|2,0,0]=4 1478 B12R1.57 CNc1cc(ccc1[N+](=O)[O-])F 34a_100000746377_200000210301 [0,2,0,0,0,0|1,0,0]=3 1479 B12R1.57 COc1cc(ccc1C(=O)C)O 271570a_203496583355_100000709911 [0,2,0,0,0,0|2,0,0]=4 1480 B12R1.57 COc1cc(ccc1C(=O)N)O 271570a_203496583355_100000748320 [0,2,0,0,0,0|2,0,0]=4 1481 B12R1.57 COc1cc(ccc1[N+](=O)[O-])Br 7a_100011934350_200000210301 [0,2,0,0,0,0|1,0,0]=3 1482 B12R1.57 COc1cc(ccc1[N+](=O)[O-])C 34a_100000195450_200000210301 [0,2,0,0,0,0|1,0,0]=3 1483 B12R1.57 COc1cc(ccc1[N+](=O)[O-])C 7a_100000195450_200000210301 [0,2,0,0,0,0|1,0,0]=3 1484 B12R1.57 COc1cc(ccc1[N+](=O)[O-])Cl 34a_100000746067_200000210301 [0,2,0,0,0,0|1,0,0]=3 1485 B12R1.57 COc1cc(ccc1[N+](=O)[O-])Cl 7a_100000746067_200000210301 [0,2,0,0,0,0|1,0,0]=3 1486 B12R1.57 COc1cc(ccc1[N+](=O)[O-])F 34a_100000210785_200000210301 [0,2,0,0,0,0|1,0,0]=3 1487 B12R1.57 COc1cc(ccc1[N+](=O)[O-])F 7a_100000210785_200000210301 [0,2,0,0,0,0|1,0,0]=3 1488 B12R1.57 COc1cc(ccc1[N+](=O)[O-])I 7a_100000072657_200000210301 [0,2,0,0,0,0|1,0,0]=3 1489 B12R1.57 COc1cc(cnc1[N+](=O)[O-])Br 7a_100010201919_200000210301 [0,2,0,0,0,0|2,0,0]=4 1490 B12R1.57 COc1cc(cnc1[N+](=O)[O-])Cl 7a_100009862519_200000210301 [0,2,0,0,0,0|2,0,0]=4 1491 B12R1.57 CSc1cc(ccc1C(=O)C)O 62a_100012340537_200000210301 [0,2,0,0,0,0|2,0,0]=4 1492 B12R1.57 Cc1ccc(c(c1)O[13CH3])[N+](=O)[O-] 34a_100000195450_200025704644 [0,2,0,0,0,0|1,0,0]=3 1493 B12R1.57 Cc1ccc(c(c1)O[13CH3])[N+](=O)[O-] 7a_100000195450_200025704644 [0,2,0,0,0,0|1,0,0]=3 1494 B12R1.57 [13CH3]Nc1cc(ccc1[N+](=O)[O-])F 34a_100000746377_200025704644 [0,2,0,0,0,0|1,0,0]=3 1495 B12R1.57 [13CH3]Oc1cc(ccc1[N+](=O)[O-])Br 7a_100011934350_200025704644 [0,2,0,0,0,0|1,0,0]=3 1496 B12R1.57 [13CH3]Oc1cc(ccc1[N+](=O)[O-])Cl 34a_100000746067_200025704644 [0,2,0,0,0,0|1,0,0]=3 1497 B12R1.57 [13CH3]Oc1cc(ccc1[N+](=O)[O-])Cl 7a_100000746067_200025704644 [0,2,0,0,0,0|1,0,0]=3 1498 B12R1.57 [13CH3]Oc1cc(ccc1[N+](=O)[O-])F 34a_100000210785_200025704644 [0,2,0,0,0,0|1,0,0]=3 1499 B12R1.57 [13CH3]Oc1cc(ccc1[N+](=O)[O-])F 7a_100000210785_200025704644 [0,2,0,0,0,0|1,0,0]=3 1500 B12R1.57 [13CH3]Oc1cc(ccc1[N+](=O)[O-])I 7a_100000072657_200025704644 [0,2,0,0,0,0|1,0,0]=3 1501 B12R1.57 [13CH3]Oc1cc(cnc1[N+](=O)[O-])Br 7a_100010201919_200025704644 [0,2,0,0,0,0|2,0,0]=4 1502 B12R1.57 [13CH3]Oc1cc(cnc1[N+](=O)[O-])Cl 7a_100009862519_200025704644 [0,2,0,0,0,0|2,0,0]=4 1503 B12R1.1000 CC(=O)c1c(cc(cc1C)O)C 1458a_100000066486_200000210301 [0,2,0,0,0,0|2,0,0]=4 1504 B12R1.1000 CC(=O)c1c(cc(cc1Cl)O)Cl 1458a_100010423397_200000210301 [0,2,0,0,0,0|2,0,0]=4 1505 B12R1.1000 CC(=O)c1c(cc(cc1F)O)F 1458a_100000038755_200000210301 [0,2,0,0,0,0|2,0,0]=4 1506 B12R1.1000 CC(=O)c1c(cc(cc1F)O)F 271570a_203496583355_100012706838 [0,2,0,0,0,0|2,0,0]=4 1507 B12R1.1000 CC(=O)c1c(cc(cc1F)O)O 271570a_203496583355_100010734142 [0,2,0,0,0,0|2,0,0]=4 1508 B12R1.1000 CC(=O)c1c(cc(cc1O)O)C 1458a_200000061528_200000210301 [0,2,0,0,0,0|2,0,0]=4 1509 B12R1.1000 Cc1cc(cc(c1C(=O)N)F)O 271570a_203496583355_100016096366 [0,2,0,0,0,0|2,0,0]=4 1510 B12R1.1000 Cc1cc(cc(c1C(=O)[13CH3])C)O 1458a_100000066486_200025704644 [0,2,0,0,0,0|2,0,0]=4 1511 B12R1.1000 Cc1cc(cc(c1C(=O)[13CH3])O)O 1458a_200000061528_200025704644 [0,2,0,0,0,0|2,0,0]=4 1512 B12R1.1000 NC(=O)c1c(cc(cc1F)O)F 271570a_203496583355_100000695656 [0,2,0,0,0,0|2,0,0]=4 1513 B12R1.1000 [13CH3]C(=O)c1c(cc(cc1Cl)O)Cl 1458a_100010423397_200025704644 [0,2,0,0,0,0|2,0,0]=4 1514 B12R1.1000 [13CH3]C(=O)c1c(cc(cc1F)O)F 1458a_100000038755_200025704644 [0,2,0,0,0,0|2,0,0]=4 1515 B10R2.31 Oc1ccc2c(c1)CC2 271570a_203496583355_100009818592 [1,0,0,1,0,0|2,0,0]=4 1516 B12R2.606 O=C1Cc2cc(ccc2N1)O 271570a_203496583355_100000754858 [0,0,0,1,0,1|2,0,0]=4 1517 B12R2.606 O=C1Cc2ccc(cc2C1)O 271570a_203496583355_100010185598 [0,0,0,1,0,1|2,0,0]=4 1518 B12R2.606 O=C1Cc2ccc(cc2N1)O 271570a_203496583355_100000760487 [0,0,0,1,0,1|2,0,0]=4 1519 B12R2.606 O=c1[nH]c2cc(ccc2o1)O 271570a_203496583355_100000764829 [0,0,0,1,0,1|2,0,0]=4 1520 B12R2.606 O=c1[nH]c2cc(ccc2s1)O 271570a_203496583355_100000239354 [0,0,0,1,0,1|2,0,0]=4 1521 B12R2.606 O=c1[nH]c2ccc(cc2[nH]1)O 271570a_203496583355_100011221360 [0,0,0,1,0,1|2,0,0]=4 1522 B12R2.606 O=c1[nH]c2ccc(cc2o1)O 271570a_203496583355_100000697996 [0,0,0,1,0,1|1,0,1]=4 1523 B12R2.606 O=c1[nH]c2ccc(cc2s1)O 271570a_203496583355_100009813980 [0,0,0,1,0,1|1,1,0]=4 1524 B12R2.612 O=C1C=Cc2c1ccc(c2)O 271570a_203496583355_100010210589 [0,1,0,1,0,0|2,0,0]=4 1525 B12R2.612 O=C1CCc2c1ccc(c2)O 271570a_203496583355_100000737041 [0,1,0,1,0,0|2,0,0]=4 1526 B12R2.612 O=C1COc2c1ccc(c2)O 271570a_203496583355_100000686717 [0,1,0,1,0,0|1,0,1]=4 1527 B12R2.612 O=C1NCc2c1ccc(c2)O 271570a_203496583355_100000692135 [0,1,0,1,0,0|2,0,0]=4 1528 B12R2.612 O=C1OCc2c1ccc(c2)O 271570a_203496583355_100009816608 [0,1,0,1,0,0|1,0,1]=4 1529 B12R2.612 O=c1[nH][nH]c2c1ccc(c2)O 271570a_203496583355_100012353722 [0,1,0,1,0,0|2,0,0]=4 1530 B8R1.1 O=Cc1c[nH]c(c1)O 271570a_203496583355_100009882863 [1,0,0,0,1,0|2,0,0]=4 1531 B8R1.1 O=Cc1cc(co1)O 271570a_203496583355_100000747035 [1,0,0,0,1,0|2,0,0]=4 1532 B8R1.1 O=Cc1cc(cs1)O 271570a_203496583355_100000211722 [1,0,0,0,1,0|2,0,0]=4 1533 B8R1.1 O=Cc1ccc(o1)O 271570a_203496583355_100000185145 [1,0,0,0,1,0|2,0,0]=4 1534 B8R1.1 O=Cc1ccc(s1)O 271570a_203496583355_100000179771 [1,0,0,0,1,0|2,0,0]=4 1535 B8R1.1 O=Cc1csc(c1)O 271570a_203496583355_100000737087 [1,0,0,0,1,0|2,0,0]=4 1536 B10R1.18 CC(=O)Cc1ccccc1 1458a_100000070787_100015291786 [1,0,0,0,0,1|2,0,0]=4 1537 B10R1.18 CC(=O)Nc1ccccc1 11a_100000106764_100015343762 [1,0,0,0,0,1|2,0,0]=4 1538 B10R1.18 CC(=O)Nc1ccccc1 1626a_100000106764_100015343762 [1,0,0,0,0,1|2,0,0]=4 1539 B10R1.18 CC(=O)Nc1ccccc1 22a_100000106764_100000070787 [1,0,0,0,0,1|2,0,0]=4 1540 B10R1.18 CC(=O)Nc1ccccc1 527a_100000106764_100103153847 [1,0,0,0,0,1|2,0,0]=4 1541 B12R1.21 CC(=O)/C=C/c1ccc(cc1)O 271570a_203496583355_200016259395 [0,0,0,0,0,2|2,0,0]=4 1542 B12R1.21 CC(=O)CCc1ccc(cc1)O 1458a_100000070787_100009816426 [0,0,0,0,0,2|2,0,0]=4 1543 B12R1.21 CC(=O)CCc1ccc(cc1)O 1458a_100000742835_200000210301 [0,0,0,0,0,2|2,0,0]=4 1544 B12R1.21 CC(=O)CCc1ccc(cc1)O 271570a_203496583355_100000723691 [0,0,0,0,0,2|2,0,0]=4 1545 B12R1.21 CC(=O)COc1ccc(cc1)O 1458a_100000031633_200000210301 [0,0,0,0,0,2|2,0,0]=4 1546 B12R1.21 CC(=O)NCc1ccc(cc1)O 240690a_100000185549_100015343762 [0,0,0,0,0,2|2,0,0]=4 1547 B12R1.21 CC(=O)NCc1ccc(cc1)O 271570a_203496583355_200000685173 [0,0,0,0,0,2|2,0,0]=4 1548 B12R1.21 CC(=O)NCc1ccc(cc1)O 527a_100000185549_100103153847 [0,0,0,0,0,2|2,0,0]=4 1549 B12R1.21 CC(=O)NNc1ccc(cc1)O 271570a_203496583355_200009815283 [0,0,0,0,0,2|2,0,0]=4 1550 B12R1.21 Cc1ccc(cc1)NCC(=O)[O-] 34a_100000124888_100020667443 [0,0,0,0,0,2|2,0,0]=4 1551 B12R1.21 Cc1ccc(cc1)NC[N+](=O)[O-] 34a_100000124888_100000761209 [0,0,0,0,0,2|1,0,0]=3 1552 B12R1.21 Cc1ccc(cc1)OCC(=O)[O-] 34a_100000210336_100020667443 [0,0,0,0,0,2|2,0,0]=4 1553 B12R1.21 Cc1ccc(cc1)OC[N+](=O)[O-] 34a_100000210336_100000761209 [0,0,0,0,0,2|1,0,0]=3 1554 B12R1.21 Cc1ccc(cc1)SCC(=O)[O-] 62a_100000186775_100020667443 [0,0,0,0,0,2|2,0,0]=4 1555 B12R1.21 Cc1ccc(cc1)SCC(=O)[O-] 62a_100020667443_100000186775 [0,0,0,0,0,2|2,0,0]=4 1556 B12R1.21 Cc1ccc(cc1)SC[N+](=O)[O-] 62a_100000186775_100000761209 [0,0,0,0,0,2|1,0,0]=3 1557 B12R1.21 Cc1ccc(cn1)OC[N+](=O)[O-] 34a_100000745506_100000761209 [0,0,0,0,0,2|2,0,0]=4 1558 B12R1.21 Cc1ccc(cn1)SC[N+](=O)[O-] 62a_100000751577_100000761209 [0,0,0,0,0,2|2,0,0]=4 1559 B12R1.21 Cc1ccc(nc1)OC[N+](=O)[O-] 34a_100000759353_100000761209 [0,0,0,0,0,2|2,0,0]=4 1560 B12R1.21 Cc1ccc(nc1)SC[N+](=O)[O-] 62a_100011192072_100000761209 [0,0,0,0,0,2|2,0,0]=4 1561 B12R1.21 NC(=O)CCc1ccc(cc1)O 271570a_203496583355_200010110666 [0,0,0,0,0,2|2,0,0]=4 1562 B12R1.21 NC(=O)CNc1ccc(cc1)O 34a_100000185829_100000187820 [0,0,0,0,0,2|2,0,0]=4 1563 B12R1.21 NC(=O)CSc1ccc(cc1)O 271570a_203496583355_100000149456 [0,0,0,0,0,2|2,0,0]=4 1564 B12R1.21 NC(=O)CSc1ccc(cc1)O 62a_100000747473_100000185759 [0,0,0,0,0,2|2,0,0]=4 1565 B12R1.21 Nc1ccc(cc1)OCC(=O)[O-] 34a_100000185829_100020667443 [0,0,0,0,0,2|2,0,0]=4 1566 B12R1.21 Nc1ccc(cc1)OC[N+](=O)[O-] 34a_100000185829_100000761209 [0,0,0,0,0,2|1,0,0]=3 1567 B12R1.21 Nc1ccc(cc1)SCC(=O)[O-] 62a_100000185761_100020667443 [0,0,0,0,0,2|2,0,0]=4 1568 B12R1.21 Nc1ccc(cc1)SCC(=O)[O-] 62a_100020667443_100000185761 [0,0,0,0,0,2|2,0,0]=4 1569 B12R1.21 Nc1ccc(cc1)SC[N+](=O)[O-] 62a_100000185761_100000761209 [0,0,0,0,0,2|1,0,0]=3 1570 B12R1.21 Nc1ccc(cn1)OC[N+](=O)[O-] 34a_100015188713_100000761209 [0,0,0,0,0,2|2,0,0]=4 1571 B12R1.21 Nc1ccc(cn1)SC[N+](=O)[O-] 62a_100000187370_100000761209 [0,0,0,0,0,2|2,0,0]=4 1572 B12R1.21 Nc1ccc(nc1)OC[N+](=O)[O-] 34a_100000729260_100000761209 [0,0,0,0,0,2|2,0,0]=4 1573 B12R1.21 Nc1ccc(nc1)SC[N+](=O)[O-] 62a_100000737798_100000761209 [0,0,0,0,0,2|2,0,0]=4 1574 B12R1.21 O=C([O-])CNc1ccc(cc1)Br 34a_100000210018_100020667443 [0,0,0,0,0,2|2,0,0]=4 1575 B12R1.21 O=C([O-])CNc1ccc(cc1)Cl 34a_100000210052_100020667443 [0,0,0,0,0,2|2,0,0]=4 1576 B12R1.21 O=C([O-])CNc1ccc(cc1)F 34a_100000185862_100020667443 [0,0,0,0,0,2|2,0,0]=4 1577 B12R1.21 O=C([O-])CNc1ccc(cc1)I 34a_100000185761_100020667443 [0,0,0,0,0,2|2,0,0]=4 1578 B12R1.21 O=C([O-])CNc1ccc(cc1)O 34a_100000185829_100020667443 [0,0,0,0,0,2|1,0,0]=3 1579 B12R1.21 O=C([O-])COc1ccc(cc1)Br 34a_100000185759_100020667443 [0,0,0,0,0,2|2,0,0]=4 1580 B12R1.21 O=C([O-])COc1ccc(cc1)Cl 34a_100000210216_100020667443 [0,0,0,0,0,2|2,0,0]=4 1581 B12R1.21 O=C([O-])COc1ccc(cc1)F 34a_100000210339_100020667443 [0,0,0,0,0,2|2,0,0]=4 1582 B12R1.21 O=C([O-])COc1ccc(cc1)I 34a_100000212066_100020667443 [0,0,0,0,0,2|2,0,0]=4 1583 B12R1.21 O=C([O-])CSc1ccc(cc1)Br 62a_100000752885_100020667443 [0,0,0,0,0,2|2,0,0]=4 1584 B12R1.21 O=C([O-])CSc1ccc(cc1)Br 62a_100020667443_100000752885 [0,0,0,0,0,2|2,0,0]=4 1585 B12R1.21 O=C([O-])CSc1ccc(cc1)Cl 62a_100000755918_100020667443 [0,0,0,0,0,2|2,0,0]=4 1586 B12R1.21 O=C([O-])CSc1ccc(cc1)Cl 62a_100020667443_100000755918 [0,0,0,0,0,2|2,0,0]=4 1587 B12R1.21 O=C([O-])CSc1ccc(cc1)F 62a_100000211213_100020667443 [0,0,0,0,0,2|2,0,0]=4 1588 B12R1.21 O=C([O-])CSc1ccc(cc1)F 62a_100020667443_100000211213 [0,0,0,0,0,2|2,0,0]=4 1589 B12R1.21 O=C([O-])CSc1ccc(cc1)O 62a_100020667443_100000185759 [0,0,0,0,0,2|1,0,0]=3 1590 B12R1.21 O=C([O-])CSc1ccc(cn1)O 62a_100000685995_100020667443 [0,0,0,0,0,2|2,0,0]=4 1591 B12R1.21 O=C([O-])CSc1ccc(cn1)O 62a_100020667443_100000744096 [0,0,0,0,0,2|2,0,0]=4 1592 B12R1.21 O=[N+]([O-])CNc1ccc(cc1)Br 34a_100000210018_100000761209 [0,0,0,0,0,2|1,0,0]=3 1593 B12R1.21 O=[N+]([O-])CNc1ccc(cc1)Cl 34a_100000210052_100000761209 [0,0,0,0,0,2|1,0,0]=3 1594 B12R1.21 O=[N+]([O-])CNc1ccc(cc1)F 34a_100000185862_100000761209 [0,0,0,0,0,2|1,0,0]=3 1595 B12R1.21 O=[N+]([O-])CNc1ccc(cc1)I 34a_100000185761_100000761209 [0,0,0,0,0,2|1,0,0]=3 1596 B12R1.21 O=[N+]([O-])CNc1ccc(cc1)O 34a_100000185829_100000761209 [0,0,0,0,0,2|0,0,0]=2 1597 B12R1.21 O=[N+]([O-])COc1ccc(cc1)Br 34a_100000185759_100000761209 [0,0,0,0,0,2|1,0,0]=3 1598 B12R1.21 O=[N+]([O-])COc1ccc(cc1)Cl 34a_100000210216_100000761209 [0,0,0,0,0,2|1,0,0]=3 1599 B12R1.21 O=[N+]([O-])COc1ccc(cc1)F 34a_100000210339_100000761209 [0,0,0,0,0,2|1,0,0]=3 1600 B12R1.21 O=[N+]([O-])COc1ccc(cc1)I 34a_100000212066_100000761209 [0,0,0,0,0,2|1,0,0]=3 1601 B12R1.21 O=[N+]([O-])COc1ccc(cn1)Cl 34a_100011215309_100000761209 [0,0,0,0,0,2|2,0,0]=4 1602 B12R1.21 O=[N+]([O-])COc1ccc(cn1)F 34a_100000742473_100000761209 [0,0,0,0,0,2|2,0,0]=4 1603 B12R1.21 O=[N+]([O-])COc1ccc(nc1)Br 34a_100000685995_100000761209 [0,0,0,0,0,2|2,0,0]=4 1604 B12R1.21 O=[N+]([O-])COc1ccc(nc1)Cl 34a_100000744096_100000761209 [0,0,0,0,0,2|2,0,0]=4 1605 B12R1.21 O=[N+]([O-])COc1ccc(nc1)F 34a_100000688820_100000761209 [0,0,0,0,0,2|2,0,0]=4 1606 B12R1.21 O=[N+]([O-])COc1ccc(nc1)I 34a_100000687607_100000761209 [0,0,0,0,0,2|2,0,0]=4 1607 B12R1.21 O=[N+]([O-])CSc1ccc(cc1)Br 62a_100000752885_100000761209 [0,0,0,0,0,2|1,0,0]=3 1608 B12R1.21 O=[N+]([O-])CSc1ccc(cc1)Cl 62a_100000755918_100000761209 [0,0,0,0,0,2|1,0,0]=3 1609 B12R1.21 O=[N+]([O-])CSc1ccc(cc1)F 62a_100000211213_100000761209 [0,0,0,0,0,2|1,0,0]=3 1610 B12R1.21 O=[N+]([O-])CSc1ccc(cn1)Br 62a_100000686858_100000761209 [0,0,0,0,0,2|2,0,0]=4 1611 B12R1.21 O=[N+]([O-])CSc1ccc(cn1)Cl 62a_100011356976_100000761209 [0,0,0,0,0,2|2,0,0]=4 1612 B12R1.21 O=[N+]([O-])CSc1ccc(cn1)F 62a_100000744514_100000761209 [0,0,0,0,0,2|2,0,0]=4 1613 B12R1.21 O=[N+]([O-])CSc1ccc(cn1)O 62a_100000685995_100000761209 [0,0,0,0,0,2|1,0,0]=3 1614 B12R1.21 O=[N+]([O-])CSc1ccc(nc1)Br 62a_100009814638_100000761209 [0,0,0,0,0,2|2,0,0]=4 1615 B12R1.21 O=[N+]([O-])CSc1ccc(nc1)Cl 62a_100000034144_100000761209 [0,0,0,0,0,2|2,0,0]=4 1616 B12R1.21 O=[N+]([O-])CSc1ccc(nc1)F 62a_100000042367_100000761209 [0,0,0,0,0,2|2,0,0]=4 1617 B12R1.21 O=[N+]([O-])CSc1cnc(cn1)O 62a_100011934580_100000761209 [0,0,0,0,0,2|2,0,0]=4 1618 B12R1.21 O=[N+]([O-])CSc1ncc(cn1)O 62a_100000730009_100000761209 [0,0,0,0,0,2|2,0,0]=4 1619 B12R1.21 O=c1ccc(c[nH]1)OC[N+](=O)[O-] 34a_100000075641_100000761209 [0,0,0,0,0,2|1,0,1]=4 1620 B12R1.21 O=c1ccc(c[nH]1)SC[N+](=O)[O-] 62a_100000212171_100000761209 [0,0,0,0,0,2|1,0,1]=4 1621 B12R1.21 [13CH3]C(=O)CCc1ccc(cc1)O 1458a_100000742835_200025704644 [0,0,0,0,0,2|2,0,0]=4 1622 B12R1.21 [13CH3]C(=O)COc1ccc(cc1)O 1458a_100000031633_200025704644 [0,0,0,0,0,2|2,0,0]=4