0 B9R1.6 C=C(C)c1ccccc1 271570a_100000694244_100000210277 [0,0,0,0,0,0|2,0,0]=2 1 B9R1.6 C=C(C)c1ccccn1 271570a_100000694244_100011216584 [0,0,0,0,0,0|3,0,0]=3 2 B9R1.6 C=C(C)c1cccnc1 271570a_100000694244_100000752921 [0,0,0,0,0,0|3,0,0]=3 3 B9R1.6 C=C(C)c1cccnn1 271570a_100000694244_100016991348 [0,0,0,0,0,0|4,0,0]=4 4 B9R1.6 C=C(C)c1ccncc1 271570a_100000694244_100000035832 [0,0,0,0,0,0|3,0,0]=3 5 B9R1.6 C=C(C)c1ccncn1 271570a_100000694244_100000703185 [0,0,0,0,0,0|4,0,0]=4 6 B9R1.6 C=C(C)c1ccnnc1 271570a_100000694244_100000732662 [0,0,0,0,0,0|4,0,0]=4 7 B9R1.6 C=C(C)c1cnccn1 271570a_100000694244_100000758340 [0,0,0,0,0,0|4,0,0]=4 8 B9R1.6 C=C(C)c1cncnc1 271570a_100000694244_100011206942 [0,0,0,0,0,0|4,0,0]=4 9 B9R1.6 C=C(C)c1ncccn1 271570a_100000694244_100000211032 [0,0,0,0,0,0|4,0,0]=4 10 B9R1.6 CC(=O)c1ccccc1 1458a_100000185807_200000210301 [0,0,0,0,0,0|1,0,0]=1 11 B9R1.6 CN(C)c1ccccc1 2230a_100000210012_200000210301 [0,0,0,0,0,0|3,0,0]=3 12 B9R1.6 CN(C)c1ccccc1 269982a_100000210012_200000210301 [0,0,0,0,0,0|3,0,0]=3 13 B9R1.6 CN(C)c1ccccc1 34a_100000210012_200000210301 [0,0,0,0,0,0|3,0,0]=3 14 B9R1.6 CN([13CH3])c1ccccc1 2230a_100000210012_200025704644 [0,0,0,0,0,0|3,0,0]=3 15 B9R1.6 CN([13CH3])c1ccccc1 269982a_100000210012_200025704644 [0,0,0,0,0,0|3,0,0]=3 16 B9R1.6 CN([13CH3])c1ccccc1 34a_100000210012_200025704644 [0,0,0,0,0,0|3,0,0]=3 17 B9R1.6 [13CH3]C(=O)c1ccccc1 1458a_100000185807_200025704644 [0,0,0,0,0,0|1,0,0]=1 18 B8R1.2 C=Cc1ccccc1 271570a_100011290941_100000210277 [1,0,0,0,0,0|1,0,0]=2 19 B8R1.2 C=Cc1ccccn1 271570a_100011290941_100011216584 [1,0,0,0,0,0|2,0,0]=3 20 B8R1.2 C=Cc1cccnc1 271570a_100011290941_100000752921 [1,0,0,0,0,0|2,0,0]=3 21 B8R1.2 C=Cc1cccnn1 271570a_100011290941_100016991348 [1,0,0,0,0,0|3,0,0]=4 22 B8R1.2 C=Cc1ccncc1 271570a_100011290941_100000035832 [1,0,0,0,0,0|2,0,0]=3 23 B8R1.2 C=Cc1ccncn1 271570a_100011290941_100000703185 [1,0,0,0,0,0|3,0,0]=4 24 B8R1.2 C=Cc1ccnnc1 271570a_100011290941_100000732662 [1,0,0,0,0,0|3,0,0]=4 25 B8R1.2 C=Cc1cnccn1 271570a_100011290941_100000758340 [1,0,0,0,0,0|3,0,0]=4 26 B8R1.2 C=Cc1cncnc1 271570a_100011290941_100011206942 [1,0,0,0,0,0|3,0,0]=4 27 B8R1.2 C=Cc1ncccn1 271570a_100011290941_100000211032 [1,0,0,0,0,0|3,0,0]=4 28 B8R1.2 CNc1ccccc1 34a_100000106764_200000210301 [1,0,0,0,0,0|2,0,0]=3 29 B8R1.2 COc1ccccc1 34a_100000210340_200000210301 [1,0,0,0,0,0|2,0,0]=3 30 B8R1.2 COc1ccccc1 7a_100000210340_200000210301 [1,0,0,0,0,0|2,0,0]=3 31 B8R1.2 COc1cccnc1 34a_100000210849_200000210301 [1,0,0,0,0,0|3,0,0]=4 32 B8R1.2 COc1cccnc1 7a_100000210849_200000210301 [1,0,0,0,0,0|3,0,0]=4 33 B8R1.2 COc1ccncc1 34a_100000212176_200000210301 [1,0,0,0,0,0|3,0,0]=4 34 B8R1.2 CSc1ccccc1 62a_100000719477_200000210301 [1,0,0,0,0,0|2,0,0]=3 35 B8R1.2 CSc1ccccc1 62a_200000210301_100000041952 [1,0,0,0,0,0|2,0,0]=3 36 B8R1.2 CSc1ccccn1 62a_100011216584_200000210301 [1,0,0,0,0,0|3,0,0]=4 37 B8R1.2 CSc1ccccn1 62a_200000210301_100011216584 [1,0,0,0,0,0|3,0,0]=4 38 B8R1.2 CSc1cccnc1 62a_100000210063_200000210301 [1,0,0,0,0,0|3,0,0]=4 39 B8R1.2 CSc1cccnc1 62a_200000210301_100000210063 [1,0,0,0,0,0|3,0,0]=4 40 B8R1.2 CSc1ccncc1 62a_100000728582_200000210301 [1,0,0,0,0,0|3,0,0]=4 41 B8R1.2 CSc1ccncc1 62a_200000210301_100000728582 [1,0,0,0,0,0|3,0,0]=4 42 B8R1.2 [13CH3]Nc1ccccc1 34a_100000106764_200025704644 [1,0,0,0,0,0|2,0,0]=3 43 B8R1.2 [13CH3]Oc1ccccc1 34a_100000210340_200025704644 [1,0,0,0,0,0|2,0,0]=3 44 B8R1.2 [13CH3]Oc1ccccc1 7a_100000210340_200025704644 [1,0,0,0,0,0|2,0,0]=3 45 B8R1.2 [13CH3]Oc1cccnc1 34a_100000210849_200025704644 [1,0,0,0,0,0|3,0,0]=4 46 B8R1.2 [13CH3]Oc1cccnc1 7a_100000210849_200025704644 [1,0,0,0,0,0|3,0,0]=4 47 B8R1.2 [13CH3]Oc1ccncc1 34a_100000212176_200025704644 [1,0,0,0,0,0|3,0,0]=4 48 B8R1.2 [13CH3]Sc1ccccc1 62a_100000719477_200025704644 [1,0,0,0,0,0|2,0,0]=3 49 B8R1.2 [13CH3]Sc1ccccc1 62a_200025704644_100000041952 [1,0,0,0,0,0|2,0,0]=3 50 B8R1.2 [13CH3]Sc1ccccn1 62a_100011216584_200025704644 [1,0,0,0,0,0|3,0,0]=4 51 B8R1.2 [13CH3]Sc1ccccn1 62a_200025704644_100011216584 [1,0,0,0,0,0|3,0,0]=4 52 B8R1.2 [13CH3]Sc1cccnc1 62a_100000210063_200025704644 [1,0,0,0,0,0|3,0,0]=4 53 B8R1.2 [13CH3]Sc1cccnc1 62a_200025704644_100000210063 [1,0,0,0,0,0|3,0,0]=4 54 B8R1.2 [13CH3]Sc1ccncc1 62a_100000728582_200025704644 [1,0,0,0,0,0|3,0,0]=4 55 B8R1.2 [13CH3]Sc1ccncc1 62a_200025704644_100000728582 [1,0,0,0,0,0|3,0,0]=4 56 B10R1.13 C=C(C)c1cc[n+](cc1)[O-] 271570a_100000694244_100000039755 [0,1,0,0,0,0|3,0,0]=4 57 B10R1.13 C=C(C)c1ccc(=O)[nH]c1 271570a_100000694244_100000212171 [0,1,0,0,0,0|3,0,0]=4 58 B10R1.13 C=C(C)c1ccc(cc1)Br 271570a_100000694244_100000752885 [0,1,0,0,0,0|2,0,0]=3 59 B10R1.13 C=C(C)c1ccc(cc1)C 271570a_100000694244_100000186775 [0,1,0,0,0,0|2,0,0]=3 60 B10R1.13 C=C(C)c1ccc(cc1)Cl 271570a_100000694244_100000755918 [0,1,0,0,0,0|2,0,0]=3 61 B10R1.13 C=C(C)c1ccc(cc1)F 271570a_100000694244_100000211213 [0,1,0,0,0,0|2,0,0]=3 62 B10R1.13 C=C(C)c1ccc(cc1)N 271570a_100000694244_100000185761 [0,1,0,0,0,0|2,0,0]=3 63 B10R1.13 C=C(C)c1ccc(cc1)O 271570a_100000694244_100000185759 [0,1,0,0,0,0|2,0,0]=3 64 B10R1.13 C=C(C)c1ccc(cc1)O 271570a_203496583355_100000185454 [0,1,0,0,0,0|2,0,0]=3 65 B10R1.13 C=C(C)c1ccc(cn1)Br 271570a_100000694244_100000686858 [0,1,0,0,0,0|3,0,0]=4 66 B10R1.13 C=C(C)c1ccc(cn1)C 271570a_100000694244_100000754016 [0,1,0,0,0,0|3,0,0]=4 67 B10R1.13 C=C(C)c1ccc(cn1)Cl 271570a_100000694244_100011356976 [0,1,0,0,0,0|3,0,0]=4 68 B10R1.13 C=C(C)c1ccc(cn1)F 271570a_100000694244_100000744514 [0,1,0,0,0,0|3,0,0]=4 69 B10R1.13 C=C(C)c1ccc(cn1)N 271570a_100000694244_100000744251 [0,1,0,0,0,0|3,0,0]=4 70 B10R1.13 C=C(C)c1ccc(cn1)O 271570a_100000694244_100000685995 [0,1,0,0,0,0|3,0,0]=4 71 B10R1.13 C=C(C)c1ccc(nc1)Br 271570a_100000694244_100009814638 [0,1,0,0,0,0|3,0,0]=4 72 B10R1.13 C=C(C)c1ccc(nc1)C 271570a_100000694244_100000751577 [0,1,0,0,0,0|3,0,0]=4 73 B10R1.13 C=C(C)c1ccc(nc1)Cl 271570a_100000694244_100000034144 [0,1,0,0,0,0|3,0,0]=4 74 B10R1.13 C=C(C)c1ccc(nc1)F 271570a_100000694244_100000748661 [0,1,0,0,0,0|3,0,0]=4 75 B10R1.13 C=C(C)c1ccc(nc1)N 271570a_100000694244_100000187370 [0,1,0,0,0,0|3,0,0]=4 76 B10R1.13 CC(=O)c1ccc(cc1)Br 1458a_100000185839_200000210301 [0,1,0,0,0,0|1,0,0]=2 77 B10R1.13 CC(=O)c1ccc(cc1)C 1458a_100000188618_200000210301 [0,1,0,0,0,0|1,0,0]=2 78 B10R1.13 CC(=O)c1ccc(cc1)Cl 1458a_100000210187_200000210301 [0,1,0,0,0,0|1,0,0]=2 79 B10R1.13 CC(=O)c1ccc(cc1)F 1458a_100000187176_200000210301 [0,1,0,0,0,0|1,0,0]=2 80 B10R1.13 CC(=O)c1ccc(cc1)I 1458a_100000187904_200000210301 [0,1,0,0,0,0|1,0,0]=2 81 B10R1.13 CC(=O)c1ccc(cc1)O 1458a_100000212099_200000210301 [0,1,0,0,0,0|1,0,0]=2 82 B10R1.13 CC(=O)c1ccc(cc1)O 271570a_203496583355_100000185465 [0,1,0,0,0,0|1,0,0]=2 83 B10R1.13 CC(=O)c1ccc(cn1)O 271570a_203496583355_100000686046 [0,1,0,0,0,0|2,0,0]=3 84 B10R1.13 CC(=O)c1ccc(nc1)O 271570a_203496583355_100000684857 [0,1,0,0,0,0|2,0,0]=3 85 B10R1.13 CC(=O)c1cnc(cn1)O 271570a_203496583355_100009883172 [0,1,0,0,0,0|3,0,0]=4 86 B10R1.13 CC(=O)c1cnc(nc1)O 271570a_203496583355_100000099681 [0,1,0,0,0,0|3,0,0]=4 87 B10R1.13 CC(=O)c1ncc(cn1)O 271570a_203496583355_100010077182 [0,1,0,0,0,0|3,0,0]=4 88 B10R1.13 CC(C)c1ccc(cc1)O 271570a_203496583355_100000750031 [0,1,0,0,0,0|2,0,1]=4 89 B10R1.13 CC(O)c1ccc(cc1)O 271570a_203496583355_100000745893 [0,1,0,0,0,0|1,0,1]=3 90 B10R1.13 CC(O)c1ccc(cn1)O 271570a_203496583355_100012353650 [0,1,0,0,0,0|2,0,1]=4 91 B10R1.13 CC(O)c1ccc(nc1)O 271570a_203496583355_200010274204 [0,1,0,0,0,0|2,0,1]=4 92 B10R1.13 CN(C)c1ccc(cc1)Br 2230a_100000219623_200000210301 [0,1,0,0,0,0|3,0,0]=4 93 B10R1.13 CN(C)c1ccc(cc1)Br 269982a_100000219623_200000210301 [0,1,0,0,0,0|3,0,0]=4 94 B10R1.13 CN(C)c1ccc(cc1)Br 34a_100000219623_200000210301 [0,1,0,0,0,0|3,0,0]=4 95 B10R1.13 CN(C)c1ccc(cc1)Cl 2230a_100020629279_200000210301 [0,1,0,0,0,0|3,0,0]=4 96 B10R1.13 CN(C)c1ccc(cc1)Cl 269982a_100020629279_200000210301 [0,1,0,0,0,0|3,0,0]=4 97 B10R1.13 CN(C)c1ccc(cc1)Cl 34a_100020629279_200000210301 [0,1,0,0,0,0|3,0,0]=4 98 B10R1.13 CN(C)c1ccc(cc1)F 2230a_100000219829_200000210301 [0,1,0,0,0,0|3,0,0]=4 99 B10R1.13 CN(C)c1ccc(cc1)F 269982a_100000219829_200000210301 [0,1,0,0,0,0|3,0,0]=4 100 B10R1.13 CN(C)c1ccc(cc1)F 34a_100000219829_200000210301 [0,1,0,0,0,0|3,0,0]=4 101 B10R1.13 CN(C)c1ccc(cc1)I 2230a_100000743151_200000210301 [0,1,0,0,0,0|3,0,0]=4 102 B10R1.13 CN(C)c1ccc(cc1)I 269982a_100000743151_200000210301 [0,1,0,0,0,0|3,0,0]=4 103 B10R1.13 CN(C)c1ccc(cc1)I 34a_100000743151_200000210301 [0,1,0,0,0,0|3,0,0]=4 104 B10R1.13 CN(C)c1ccc(cc1)O 269982a_100000182112_200000210301 [0,1,0,0,0,0|3,0,0]=4 105 B10R1.13 CN(C)c1ccc(cc1)O 271570a_203496583355_100000210421 [0,1,0,0,0,0|3,0,0]=4 106 B10R1.13 CN(C)c1ccc(cc1)O 34a_100000182112_200000210301 [0,1,0,0,0,0|3,0,0]=4 107 B10R1.13 CN([13CH3])c1ccc(cc1)Br 2230a_100000219623_200025704644 [0,1,0,0,0,0|3,0,0]=4 108 B10R1.13 CN([13CH3])c1ccc(cc1)Br 269982a_100000219623_200025704644 [0,1,0,0,0,0|3,0,0]=4 109 B10R1.13 CN([13CH3])c1ccc(cc1)Br 34a_100000219623_200025704644 [0,1,0,0,0,0|3,0,0]=4 110 B10R1.13 CN([13CH3])c1ccc(cc1)Cl 2230a_100020629279_200025704644 [0,1,0,0,0,0|3,0,0]=4 111 B10R1.13 CN([13CH3])c1ccc(cc1)Cl 269982a_100020629279_200025704644 [0,1,0,0,0,0|3,0,0]=4 112 B10R1.13 CN([13CH3])c1ccc(cc1)Cl 34a_100020629279_200025704644 [0,1,0,0,0,0|3,0,0]=4 113 B10R1.13 CN([13CH3])c1ccc(cc1)F 2230a_100000219829_200025704644 [0,1,0,0,0,0|3,0,0]=4 114 B10R1.13 CN([13CH3])c1ccc(cc1)F 269982a_100000219829_200025704644 [0,1,0,0,0,0|3,0,0]=4 115 B10R1.13 CN([13CH3])c1ccc(cc1)F 34a_100000219829_200025704644 [0,1,0,0,0,0|3,0,0]=4 116 B10R1.13 CN([13CH3])c1ccc(cc1)I 2230a_100000743151_200025704644 [0,1,0,0,0,0|3,0,0]=4 117 B10R1.13 CN([13CH3])c1ccc(cc1)I 269982a_100000743151_200025704644 [0,1,0,0,0,0|3,0,0]=4 118 B10R1.13 CN([13CH3])c1ccc(cc1)I 34a_100000743151_200025704644 [0,1,0,0,0,0|3,0,0]=4 119 B10R1.13 CN([13CH3])c1ccc(cc1)O 269982a_100000182112_200025704644 [0,1,0,0,0,0|3,0,0]=4 120 B10R1.13 CN([13CH3])c1ccc(cc1)O 34a_100000182112_200025704644 [0,1,0,0,0,0|3,0,0]=4 121 B10R1.13 CS(=O)c1ccc(cc1)O 271570a_203496583355_100009816266 [0,1,0,0,0,0|2,0,0]=3 122 B10R1.13 C[C@@H](N)c1ccc(cc1)O 271570a_203496583355_100000720352 [0,1,0,0,0,0|2,0,1]=4 123 B10R1.13 C[C@H](N)c1ccc(cc1)O 271570a_203496583355_100000753911 [0,1,0,0,0,0|2,0,1]=4 124 B10R1.13 Cc1ccc(cc1)C(=O)[13CH3] 1458a_100000188618_200025704644 [0,1,0,0,0,0|1,0,0]=2 125 B10R1.13 Cc1ccc(cc1)N(C)C 2230a_100000219977_200000210301 [0,1,0,0,0,0|3,0,0]=4 126 B10R1.13 Cc1ccc(cc1)N(C)C 269982a_100000219977_200000210301 [0,1,0,0,0,0|3,0,0]=4 127 B10R1.13 Cc1ccc(cc1)N(C)C 34a_100000219977_200000210301 [0,1,0,0,0,0|3,0,0]=4 128 B10R1.13 Cc1ccc(cc1)N(C)[13CH3] 2230a_100000219977_200025704644 [0,1,0,0,0,0|3,0,0]=4 129 B10R1.13 Cc1ccc(cc1)N(C)[13CH3] 269982a_100000219977_200025704644 [0,1,0,0,0,0|3,0,0]=4 130 B10R1.13 Cc1ccc(cc1)N(C)[13CH3] 34a_100000219977_200025704644 [0,1,0,0,0,0|3,0,0]=4 131 B10R1.13 NC(=O)c1ccc(cc1)O 271570a_203496583355_100000162191 [0,1,0,0,0,0|1,0,0]=2 132 B10R1.13 NC(=O)c1ccc(cn1)O 271570a_203496583355_100011219284 [0,1,0,0,0,0|2,0,0]=3 133 B10R1.13 NC(=O)c1ccc(nc1)O 271570a_203496583355_100000162237 [0,1,0,0,0,0|2,0,0]=3 134 B10R1.13 NC(=O)c1ccc(nn1)O 271570a_203496583355_100000761398 [0,1,0,0,0,0|3,0,0]=4 135 B10R1.13 NC(=O)c1cnc(cn1)O 271570a_203496583355_100000738300 [0,1,0,0,0,0|3,0,0]=4 136 B10R1.13 NC(=O)c1ncc(cn1)O 271570a_203496583355_100009996756 [0,1,0,0,0,0|3,0,0]=4 137 B10R1.13 OB(O)c1ccc(cc1)O 271570a_203496583355_100000754493 [0,1,0,0,0,0|1,0,1]=3 138 B10R1.13 OB(O)c1ccc(cn1)O 271570a_203496583355_200010198023 [0,1,0,0,0,0|2,0,1]=4 139 B10R1.13 OB(O)c1ccc(nc1)O 271570a_203496583355_100000688115 [0,1,0,0,0,0|2,0,1]=4 140 B10R1.13 Oc1ccc(cc1)C(F)F 271570a_203496583355_100010189923 [0,1,0,0,0,0|2,0,1]=4 141 B10R1.13 [13CH3]C(=O)c1ccc(cc1)Br 1458a_100000185839_200025704644 [0,1,0,0,0,0|1,0,0]=2 142 B10R1.13 [13CH3]C(=O)c1ccc(cc1)Cl 1458a_100000210187_200025704644 [0,1,0,0,0,0|1,0,0]=2 143 B10R1.13 [13CH3]C(=O)c1ccc(cc1)F 1458a_100000187176_200025704644 [0,1,0,0,0,0|1,0,0]=2 144 B10R1.13 [13CH3]C(=O)c1ccc(cc1)I 1458a_100000187904_200025704644 [0,1,0,0,0,0|1,0,0]=2 145 B10R1.13 [13CH3]C(=O)c1ccc(cc1)O 1458a_100000212099_200025704644 [0,1,0,0,0,0|1,0,0]=2 146 B10R1.15 CC(S[13CH3])c1ccccc1 62a_100000230085_200025704644 [0,1,0,0,0,0|1,1,1]=4 147 B10R1.15 CC(S[13CH3])c1ccccc1 62a_200025704644_100000230085 [0,1,0,0,0,0|1,1,1]=4 148 B10R1.15 CCC(=O)c1ccccc1 1458a_100000185807_100000210202 [0,1,0,0,0,0|1,0,0]=2 149 B10R1.15 CCN(C)c1ccccc1 2230a_100000210012_100000210202 [0,1,0,0,0,0|3,0,0]=4 150 B10R1.15 CCN(C)c1ccccc1 2230a_100000210013_200000210301 [0,1,0,0,0,0|3,0,0]=4 151 B10R1.15 CCN(C)c1ccccc1 269982a_100000210012_100000204670 [0,1,0,0,0,0|3,0,0]=4 152 B10R1.15 CCN(C)c1ccccc1 269982a_100000210013_200000210301 [0,1,0,0,0,0|3,0,0]=4 153 B10R1.15 CCN(C)c1ccccc1 34a_100000210012_100000210202 [0,1,0,0,0,0|3,0,0]=4 154 B10R1.15 CCN(C)c1ccccc1 34a_100000210013_200000210301 [0,1,0,0,0,0|3,0,0]=4 155 B10R1.15 CCN([13CH3])c1ccccc1 2230a_100000210013_200025704644 [0,1,0,0,0,0|3,0,0]=4 156 B10R1.15 CCN([13CH3])c1ccccc1 269982a_100000210013_200025704644 [0,1,0,0,0,0|3,0,0]=4 157 B10R1.15 CCN([13CH3])c1ccccc1 34a_100000210013_200025704644 [0,1,0,0,0,0|3,0,0]=4 158 B10R1.15 CN(CF)c1ccccc1 269982a_100000210012_100015361967 [0,1,0,0,0,0|3,0,0]=4 159 B10R1.15 CN(CF)c1ccccc1 34a_100000210012_100015361967 [0,1,0,0,0,0|3,0,0]=4 160 B10R1.15 CNC(=O)c1ccccc1 11a_106832991635_100000185807 [0,1,0,0,0,0|1,0,0]=2 161 B10R1.15 CNC(=O)c1ccccc1 1626a_100102657272_100000185807 [0,1,0,0,0,0|1,0,0]=2 162 B10R1.15 CNC(=O)c1ccccc1 240690a_100102657272_100000185807 [0,1,0,0,0,0|1,0,0]=2 163 B10R1.15 CNC(=O)c1ccccc1 527a_100102657272_100000185807 [0,1,0,0,0,0|1,0,0]=2 164 B10R1.15 CNC(C)c1ccccc1 2230a_106832991635_100000230085 [0,1,0,0,0,0|2,0,1]=4 165 B10R1.15 CNC(C)c1ccccc1 269862a_106832991636_100000185851 [0,1,0,0,0,0|2,0,1]=4 166 B10R1.15 CNC(C)c1ccccc1 34a_100102657272_100000211855 [0,1,0,0,0,0|2,0,1]=4 167 B10R1.15 CNC(C)c1ccccc1 7a_106832991635_100000230085 [0,1,0,0,0,0|2,0,1]=4 168 B10R1.15 CN[C@H](C)c1ccccc1 2230a_100000751104_200000210301 [0,1,0,0,0,0|2,0,1]=4 169 B10R1.15 COC(C)c1ccccc1 34a_100138415774_100000211855 [0,1,0,0,0,0|1,0,1]=3 170 B10R1.15 CO[C@H](C)c1ccccc1 34a_100000761318_200000210301 [0,1,0,0,0,0|1,0,1]=3 171 B10R1.15 CO[C@H](C)c1ccccc1 7a_100000761318_200000210301 [0,1,0,0,0,0|1,0,1]=3 172 B10R1.15 CSC(C)c1ccccc1 62a_100000230085_200000210301 [0,1,0,0,0,0|1,1,1]=4 173 B10R1.15 CSC(C)c1ccccc1 62a_200000210301_100000230085 [0,1,0,0,0,0|1,1,1]=4 174 B10R1.15 C[C@@H](N[13CH3])c1ccccc1 2230a_100000751104_200025704644 [0,1,0,0,0,0|2,0,1]=4 175 B10R1.15 C[C@@H](O[13CH3])c1ccccc1 34a_100000761318_200025704644 [0,1,0,0,0,0|1,0,1]=3 176 B10R1.15 C[C@@H](O[13CH3])c1ccccc1 7a_100000761318_200025704644 [0,1,0,0,0,0|1,0,1]=3 177 B10R1.15 O=C(CF)c1ccccc1 1458a_100000185807_100015361967 [0,1,0,0,0,0|1,0,0]=2 178 B10R1.61 C=C(C)c1c[nH]ccc1=O 271570a_100000694244_100009998708 [0,1,0,0,0,0|3,0,0]=4 179 B10R1.61 C=C(C)c1c[nH]ccc1=S 271570a_100000694244_200012280681 [0,1,0,0,0,0|3,0,0]=4 180 B10R1.61 C=C(C)c1ccc[nH]c1=O 271570a_100000694244_100000050042 [0,1,0,0,0,0|3,0,0]=4 181 B10R1.61 C=C(C)c1cccc[n+]1C 271570a_100000694244_100000212160 [0,1,0,0,0,0|3,0,0]=4 182 B10R1.61 C=C(C)c1cccc[n+]1[O-] 271570a_100000694244_200000042595 [0,1,0,0,0,0|3,0,0]=4 183 B10R1.61 C=C(C)c1ccccc1Br 271570a_100000694244_100000695589 [0,1,0,0,0,0|2,0,0]=3 184 B10R1.61 C=C(C)c1ccccc1C 271570a_100000694244_100000210755 [0,1,0,0,0,0|2,0,0]=3 185 B10R1.61 C=C(C)c1ccccc1Cl 271570a_100000694244_100000764095 [0,1,0,0,0,0|2,0,0]=3 186 B10R1.61 C=C(C)c1ccccc1F 271570a_100000694244_100011215700 [0,1,0,0,0,0|2,0,0]=3 187 B10R1.61 C=C(C)c1ccccc1N 271570a_100000694244_100000210017 [0,1,0,0,0,0|2,0,0]=3 188 B10R1.61 C=C(C)c1ccccc1O 271570a_100000694244_100000739446 [0,1,0,0,0,0|2,0,0]=3 189 B10R1.61 C=C(C)c1cccnc1Br 271570a_100000694244_100010202626 [0,1,0,0,0,0|3,0,0]=4 190 B10R1.61 C=C(C)c1cccnc1C 271570a_100000694244_100000751574 [0,1,0,0,0,0|3,0,0]=4 191 B10R1.61 C=C(C)c1cccnc1Cl 271570a_100000694244_100000036424 [0,1,0,0,0,0|3,0,0]=4 192 B10R1.61 C=C(C)c1cccnc1F 271570a_100000694244_100009816115 [0,1,0,0,0,0|3,0,0]=4 193 B10R1.61 C=C(C)c1cccnc1N 271570a_100000694244_100000045569 [0,1,0,0,0,0|3,0,0]=4 194 B10R1.61 C=C(C)c1ccncc1Br 271570a_100000694244_100000726257 [0,1,0,0,0,0|3,0,0]=4 195 B10R1.61 C=C(C)c1ccncc1C 271570a_100000694244_100015191297 [0,1,0,0,0,0|3,0,0]=4 196 B10R1.61 C=C(C)c1ccncc1Cl 271570a_100000694244_100000708259 [0,1,0,0,0,0|3,0,0]=4 197 B10R1.61 C=C(C)c1ccncc1F 271570a_100000694244_100000047030 [0,1,0,0,0,0|3,0,0]=4 198 B10R1.61 C=C(C)c1ccncc1N 271570a_100000694244_100009815883 [0,1,0,0,0,0|3,0,0]=4 199 B10R1.61 C=C(C)c1ccncc1O 271570a_100000694244_100009817591 [0,1,0,0,0,0|3,0,0]=4 200 B10R1.61 C=C(C)c1cnccc1Br 271570a_100000694244_100010138639 [0,1,0,0,0,0|3,0,0]=4 201 B10R1.61 C=C(C)c1cnccc1C 271570a_100000694244_100000761580 [0,1,0,0,0,0|3,0,0]=4 202 B10R1.61 C=C(C)c1cnccc1Cl 271570a_100000694244_100009995489 [0,1,0,0,0,0|3,0,0]=4 203 B10R1.61 C=C(C)c1cnccc1F 271570a_100000694244_100009820683 [0,1,0,0,0,0|3,0,0]=4 204 B10R1.61 C=C(C)c1cnccc1N 271570a_100000694244_100000047001 [0,1,0,0,0,0|3,0,0]=4 205 B10R1.61 C=C(C)c1ncccc1Br 271570a_100000694244_100000696092 [0,1,0,0,0,0|3,0,0]=4 206 B10R1.61 C=C(C)c1ncccc1C 271570a_100000694244_100000751373 [0,1,0,0,0,0|3,0,0]=4 207 B10R1.61 C=C(C)c1ncccc1Cl 271570a_100000694244_100011356963 [0,1,0,0,0,0|3,0,0]=4 208 B10R1.61 C=C(C)c1ncccc1F 271570a_100000694244_100000685392 [0,1,0,0,0,0|3,0,0]=4 209 B10R1.61 C=C(C)c1ncccc1N 271570a_100000694244_100000688686 [0,1,0,0,0,0|3,0,0]=4 210 B10R1.61 C=C(C)c1ncccc1O 271570a_100000694244_100000034122 [0,1,0,0,0,0|3,0,0]=4 211 B10R1.61 CC(=O)c1ccccc1Br 1458a_100000188424_200000210301 [0,1,0,0,0,0|1,0,0]=2 212 B10R1.61 CC(=O)c1ccccc1C 1458a_100000212026_200000210301 [0,1,0,0,0,0|1,0,0]=2 213 B10R1.61 CC(=O)c1ccccc1Cl 1458a_100000185844_200000210301 [0,1,0,0,0,0|1,0,0]=2 214 B10R1.61 CC(=O)c1ccccc1F 1458a_100000188656_200000210301 [0,1,0,0,0,0|1,0,0]=2 215 B10R1.61 CC(=O)c1ccccc1I 1458a_100000187884_200000210301 [0,1,0,0,0,0|1,0,0]=2 216 B10R1.61 CC(=O)c1ccccc1O 1458a_100015234032_200000210301 [0,1,0,0,0,0|1,0,0]=2 217 B10R1.61 CC(=O)c1ccccc1O 271570a_203496583355_100000751169 [0,1,0,0,0,0|1,0,0]=2 218 B10R1.61 CC(=O)c1ccccc1[O-] 1458a_100009911694_200000210301 [0,1,0,0,0,0|1,0,0]=2 219 B10R1.61 CC(=O)c1cccnc1O 271570a_203496583355_100000753718 [0,1,0,0,0,0|2,0,0]=3 220 B10R1.61 CC(=O)c1ccncc1O 271570a_203496583355_100009993184 [0,1,0,0,0,0|2,0,0]=3 221 B10R1.61 CC(=O)c1cnccc1O 271570a_203496583355_100160469449 [0,1,0,0,0,0|2,0,0]=3 222 B10R1.61 CC(=O)c1ncccc1O 271570a_203496583355_100012348690 [0,1,0,0,0,0|2,0,0]=3 223 B10R1.61 CC(=O)c1nccnc1O 271570a_203496583355_100000099859 [0,1,0,0,0,0|3,0,0]=4 224 B10R1.61 CC(C)c1ccccc1O 271570a_203496583355_100011218076 [0,1,0,0,0,0|2,0,1]=4 225 B10R1.61 CC(N)c1ccccc1O 271570a_203496583355_100000181357 [0,1,0,0,0,0|2,0,1]=4 226 B10R1.61 CC(O)c1ccccc1O 271570a_203496583355_100000702211 [0,1,0,0,0,0|1,0,1]=3 227 B10R1.61 CC(O)c1cccnc1O 271570a_203496583355_100009865335 [0,1,0,0,0,0|2,0,1]=4 228 B10R1.61 CN(C)c1ccccc1Br 2230a_100020606079_200000210301 [0,1,0,0,0,0|3,0,0]=4 229 B10R1.61 CN(C)c1ccccc1Br 269982a_100020606079_200000210301 [0,1,0,0,0,0|3,0,0]=4 230 B10R1.61 CN(C)c1ccccc1Br 34a_100020606079_200000210301 [0,1,0,0,0,0|3,0,0]=4 231 B10R1.61 CN(C)c1ccccc1Cl 2230a_100000219374_200000210301 [0,1,0,0,0,0|3,0,0]=4 232 B10R1.61 CN(C)c1ccccc1Cl 269982a_100000219374_200000210301 [0,1,0,0,0,0|3,0,0]=4 233 B10R1.61 CN(C)c1ccccc1Cl 34a_100000219374_200000210301 [0,1,0,0,0,0|3,0,0]=4 234 B10R1.61 CN(C)c1ccccc1F 2230a_100000220357_200000210301 [0,1,0,0,0,0|3,0,0]=4 235 B10R1.61 CN(C)c1ccccc1F 269982a_100000220357_200000210301 [0,1,0,0,0,0|3,0,0]=4 236 B10R1.61 CN(C)c1ccccc1F 34a_100000220357_200000210301 [0,1,0,0,0,0|3,0,0]=4 237 B10R1.61 CN(C)c1ccccc1F 38a_100000220357_200000210301 [0,1,0,0,0,0|3,0,0]=4 238 B10R1.61 CN(C)c1ccccc1O 269982a_100000033821_200000210301 [0,1,0,0,0,0|3,0,0]=4 239 B10R1.61 CN(C)c1ccccc1O 271570a_203496583355_100011290883 [0,1,0,0,0,0|3,0,0]=4 240 B10R1.61 CN([13CH3])c1ccccc1Br 2230a_100020606079_200025704644 [0,1,0,0,0,0|3,0,0]=4 241 B10R1.61 CN([13CH3])c1ccccc1Br 269982a_100020606079_200025704644 [0,1,0,0,0,0|3,0,0]=4 242 B10R1.61 CN([13CH3])c1ccccc1Br 34a_100020606079_200025704644 [0,1,0,0,0,0|3,0,0]=4 243 B10R1.61 CN([13CH3])c1ccccc1Cl 2230a_100000219374_200025704644 [0,1,0,0,0,0|3,0,0]=4 244 B10R1.61 CN([13CH3])c1ccccc1Cl 269982a_100000219374_200025704644 [0,1,0,0,0,0|3,0,0]=4 245 B10R1.61 CN([13CH3])c1ccccc1Cl 34a_100000219374_200025704644 [0,1,0,0,0,0|3,0,0]=4 246 B10R1.61 CN([13CH3])c1ccccc1F 2230a_100000220357_200025704644 [0,1,0,0,0,0|3,0,0]=4 247 B10R1.61 CN([13CH3])c1ccccc1F 269982a_100000220357_200025704644 [0,1,0,0,0,0|3,0,0]=4 248 B10R1.61 CN([13CH3])c1ccccc1F 34a_100000220357_200025704644 [0,1,0,0,0,0|3,0,0]=4 249 B10R1.61 CN([13CH3])c1ccccc1F 38a_100000220357_200025704644 [0,1,0,0,0,0|3,0,0]=4 250 B10R1.61 CN([13CH3])c1ccccc1O 269982a_100000033821_200025704644 [0,1,0,0,0,0|3,0,0]=4 251 B10R1.61 CS(=O)c1ccccc1O 271570a_203496583355_100000734199 [0,1,0,0,0,0|2,0,0]=3 252 B10R1.61 C[C@H](O)c1ncccc1O 271570a_203496583355_100013325542 [0,1,0,0,0,0|2,0,1]=4 253 B10R1.61 Cc1ccccc1C(=O)[13CH3] 1458a_100000212026_200025704644 [0,1,0,0,0,0|1,0,0]=2 254 B10R1.61 Cc1ccccc1N(C)C 2230a_100000219699_200000210301 [0,1,0,0,0,0|3,0,0]=4 255 B10R1.61 Cc1ccccc1N(C)C 269982a_100000219699_200000210301 [0,1,0,0,0,0|3,0,0]=4 256 B10R1.61 Cc1ccccc1N(C)C 34a_100000219699_200000210301 [0,1,0,0,0,0|3,0,0]=4 257 B10R1.61 Cc1ccccc1N(C)[13CH3] 2230a_100000219699_200025704644 [0,1,0,0,0,0|3,0,0]=4 258 B10R1.61 Cc1ccccc1N(C)[13CH3] 269982a_100000219699_200025704644 [0,1,0,0,0,0|3,0,0]=4 259 B10R1.61 Cc1ccccc1N(C)[13CH3] 34a_100000219699_200025704644 [0,1,0,0,0,0|3,0,0]=4 260 B10R1.61 NC(=O)c1ccccc1O 271570a_203496583355_100000162227 [0,1,0,0,0,0|1,0,0]=2 261 B10R1.61 NC(=O)c1cccnc1O 271570a_203496583355_100000162199 [0,1,0,0,0,0|2,0,0]=3 262 B10R1.61 NC(=O)c1ccncc1O 271570a_203496583355_100010205435 [0,1,0,0,0,0|2,0,0]=3 263 B10R1.61 NC(=O)c1cnccc1O 271570a_203496583355_100000697804 [0,1,0,0,0,0|2,0,0]=3 264 B10R1.61 NC(=O)c1ncccc1O 271570a_203496583355_200012359670 [0,1,0,0,0,0|2,0,0]=3 265 B10R1.61 NC(=O)c1nccnc1O 271570a_203496583355_100000094861 [0,1,0,0,0,0|3,0,0]=4 266 B10R1.61 OB(O)c1ccccc1O 271570a_203496583355_100000693059 [0,1,0,0,0,0|1,0,1]=3 267 B10R1.61 OB(O)c1cccnc1O 271570a_203496583355_100009815992 [0,1,0,0,0,0|2,0,1]=4 268 B10R1.61 OB(O)c1ccncc1O 271570a_203496583355_200010176179 [0,1,0,0,0,0|2,0,1]=4 269 B10R1.61 Oc1ccccc1C(F)F 271570a_203496583355_100010169824 [0,1,0,0,0,0|2,0,1]=4 270 B10R1.61 [13CH3]C(=O)c1ccccc1Br 1458a_100000188424_200025704644 [0,1,0,0,0,0|1,0,0]=2 271 B10R1.61 [13CH3]C(=O)c1ccccc1Cl 1458a_100000185844_200025704644 [0,1,0,0,0,0|1,0,0]=2 272 B10R1.61 [13CH3]C(=O)c1ccccc1F 1458a_100000188656_200025704644 [0,1,0,0,0,0|1,0,0]=2 273 B10R1.61 [13CH3]C(=O)c1ccccc1I 1458a_100000187884_200025704644 [0,1,0,0,0,0|1,0,0]=2 274 B10R1.61 [13CH3]C(=O)c1ccccc1O 1458a_100015234032_200025704644 [0,1,0,0,0,0|1,0,0]=2 275 B10R1.61 [13CH3]C(=O)c1ccccc1[O-] 1458a_100009911694_200025704644 [0,1,0,0,0,0|1,0,0]=2 276 B10R1.113 C=C(C)c1cc(ccn1)C 271570a_100000694244_100000750283 [0,1,0,0,0,0|3,0,0]=4 277 B10R1.113 C=C(C)c1cc(ccn1)Cl 271570a_100000694244_100010167805 [0,1,0,0,0,0|3,0,0]=4 278 B10R1.113 C=C(C)c1cc(ccn1)F 271570a_100000694244_100009817058 [0,1,0,0,0,0|3,0,0]=4 279 B10R1.113 C=C(C)c1cc(ccn1)N 271570a_100000694244_100009814236 [0,1,0,0,0,0|3,0,0]=4 280 B10R1.113 C=C(C)c1cc(ccn1)O 271570a_100000694244_100000762945 [0,1,0,0,0,0|3,0,0]=4 281 B10R1.113 C=C(C)c1cc[nH]c(=O)c1 271570a_100000694244_100009816521 [0,1,0,0,0,0|3,0,0]=4 282 B10R1.113 C=C(C)c1ccc[n+](c1)C 271570a_100000694244_100009996589 [0,1,0,0,0,0|3,0,0]=4 283 B10R1.113 C=C(C)c1ccc[n+](c1)[O-] 271570a_100000694244_100009815978 [0,1,0,0,0,0|3,0,0]=4 284 B10R1.113 C=C(C)c1cccc(=O)[nH]1 271570a_100000694244_100000761760 [0,1,0,0,0,0|3,0,0]=4 285 B10R1.113 C=C(C)c1cccc(c1)Br 271570a_100000694244_100000691529 [0,1,0,0,0,0|2,0,0]=3 286 B10R1.113 C=C(C)c1cccc(c1)C 271570a_100000694244_100011215228 [0,1,0,0,0,0|2,0,0]=3 287 B10R1.113 C=C(C)c1cccc(c1)Cl 271570a_100000694244_100000699651 [0,1,0,0,0,0|2,0,0]=3 288 B10R1.113 C=C(C)c1cccc(c1)F 271570a_100000694244_100000685547 [0,1,0,0,0,0|2,0,0]=3 289 B10R1.113 C=C(C)c1cccc(c1)N 271570a_100000694244_100000210019 [0,1,0,0,0,0|2,0,0]=3 290 B10R1.113 C=C(C)c1cccc(c1)O 271570a_100000694244_100000211634 [0,1,0,0,0,0|2,0,0]=3 291 B10R1.113 C=C(C)c1cccc(c1)O 271570a_203496583355_100012123953 [0,1,0,0,0,0|2,0,0]=3 292 B10R1.113 C=C(C)c1cccc(c1)[S] 271570a_100000694244_114929384022 [0,1,0,0,0,0|2,0,0]=3 293 B10R1.113 C=C(C)c1cccc(n1)Br 271570a_100000694244_100000684672 [0,1,0,0,0,0|3,0,0]=4 294 B10R1.113 C=C(C)c1cccc(n1)C 271570a_100000694244_100000742759 [0,1,0,0,0,0|3,0,0]=4 295 B10R1.113 C=C(C)c1cccc(n1)F 271570a_100000694244_100009815982 [0,1,0,0,0,0|3,0,0]=4 296 B10R1.113 C=C(C)c1cccc(n1)N 271570a_100000694244_100000740741 [0,1,0,0,0,0|3,0,0]=4 297 B10R1.113 C=C(C)c1ccnc(c1)Br 271570a_100000694244_100009814637 [0,1,0,0,0,0|3,0,0]=4 298 B10R1.113 C=C(C)c1ccnc(c1)C 271570a_100000694244_100000758586 [0,1,0,0,0,0|3,0,0]=4 299 B10R1.113 C=C(C)c1ccnc(c1)Cl 271570a_100000694244_100000035001 [0,1,0,0,0,0|3,0,0]=4 300 B10R1.113 C=C(C)c1ccnc(c1)F 271570a_100000694244_100009816116 [0,1,0,0,0,0|3,0,0]=4 301 B10R1.113 C=C(C)c1ccnc(c1)N 271570a_100000694244_100000744379 [0,1,0,0,0,0|3,0,0]=4 302 B10R1.113 C=C(C)c1cncc(c1)Br 271570a_100000694244_100000728054 [0,1,0,0,0,0|3,0,0]=4 303 B10R1.113 C=C(C)c1cncc(c1)C 271570a_100000694244_100000760492 [0,1,0,0,0,0|3,0,0]=4 304 B10R1.113 C=C(C)c1cncc(c1)Cl 271570a_100000694244_100000049639 [0,1,0,0,0,0|3,0,0]=4 305 B10R1.113 C=C(C)c1cncc(c1)F 271570a_100000694244_100000744099 [0,1,0,0,0,0|3,0,0]=4 306 B10R1.113 C=C(C)c1cncc(c1)N 271570a_100000694244_100000687067 [0,1,0,0,0,0|3,0,0]=4 307 B10R1.113 C=C(C)c1cncc(c1)O 271570a_100000694244_100000754920 [0,1,0,0,0,0|3,0,0]=4 308 B10R1.113 C=C(C)c1cncc(c1)O 271570a_203496583355_200009889500 [0,1,0,0,0,0|3,0,0]=4 309 B10R1.113 CC(=O)c1cc(ccn1)O 271570a_203496583355_100000709912 [0,1,0,0,0,0|2,0,0]=3 310 B10R1.113 CC(=O)c1cccc(c1)Br 1458a_100000210664_200000210301 [0,1,0,0,0,0|1,0,0]=2 311 B10R1.113 CC(=O)c1cccc(c1)C 1458a_100000189346_200000210301 [0,1,0,0,0,0|1,0,0]=2 312 B10R1.113 CC(=O)c1cccc(c1)Cl 1458a_100000210390_200000210301 [0,1,0,0,0,0|1,0,0]=2 313 B10R1.113 CC(=O)c1cccc(c1)F 1458a_100000210950_200000210301 [0,1,0,0,0,0|1,0,0]=2 314 B10R1.113 CC(=O)c1cccc(c1)I 1458a_100000184098_200000210301 [0,1,0,0,0,0|1,0,0]=2 315 B10R1.113 CC(=O)c1cccc(c1)O 1458a_100000183914_200000210301 [0,1,0,0,0,0|1,0,0]=2 316 B10R1.113 CC(=O)c1cccc(c1)O 271570a_203496583355_100000210093 [0,1,0,0,0,0|1,0,0]=2 317 B10R1.113 CC(=O)c1cccc(n1)O 271570a_203496583355_100009816502 [0,1,0,0,0,0|2,0,0]=3 318 B10R1.113 CC(=O)c1ccnc(c1)O 271570a_203496583355_100000685609 [0,1,0,0,0,0|2,0,0]=3 319 B10R1.113 CC(=O)c1ccnc(n1)O 271570a_203496583355_100010643186 [0,1,0,0,0,0|3,0,0]=4 320 B10R1.113 CC(=O)c1cncc(c1)O 271570a_203496583355_100011216243 [0,1,0,0,0,0|2,0,0]=3 321 B10R1.113 CC(C)c1cccc(c1)O 271570a_203496583355_100011214899 [0,1,0,0,0,0|2,0,1]=4 322 B10R1.113 CC(N)c1cccc(c1)O 271570a_203496583355_100020642005 [0,1,0,0,0,0|2,0,1]=4 323 B10R1.113 CC(O)c1cc(ccn1)O 271570a_203496583355_100000144657 [0,1,0,0,0,0|2,0,1]=4 324 B10R1.113 CC(O)c1cccc(c1)O 271570a_203496583355_100000246457 [0,1,0,0,0,0|1,0,1]=3 325 B10R1.113 CC(O)c1cccc(n1)O 271570a_203496583355_100009820884 [0,1,0,0,0,0|2,0,1]=4 326 B10R1.113 CC(O)c1cncc(c1)O 271570a_203496583355_100012351597 [0,1,0,0,0,0|2,0,1]=4 327 B10R1.113 CN(C)c1cccc(c1)Br 2230a_100000219648_200000210301 [0,1,0,0,0,0|3,0,0]=4 328 B10R1.113 CN(C)c1cccc(c1)Br 269982a_100000219648_200000210301 [0,1,0,0,0,0|3,0,0]=4 329 B10R1.113 CN(C)c1cccc(c1)Br 34a_100000219648_200000210301 [0,1,0,0,0,0|3,0,0]=4 330 B10R1.113 CN(C)c1cccc(c1)Cl 2230a_100000220044_200000210301 [0,1,0,0,0,0|3,0,0]=4 331 B10R1.113 CN(C)c1cccc(c1)Cl 269982a_100000220044_200000210301 [0,1,0,0,0,0|3,0,0]=4 332 B10R1.113 CN(C)c1cccc(c1)Cl 34a_100000220044_200000210301 [0,1,0,0,0,0|3,0,0]=4 333 B10R1.113 CN(C)c1cccc(c1)F 2230a_100020633736_200000210301 [0,1,0,0,0,0|3,0,0]=4 334 B10R1.113 CN(C)c1cccc(c1)F 269982a_100020633736_200000210301 [0,1,0,0,0,0|3,0,0]=4 335 B10R1.113 CN(C)c1cccc(c1)F 34a_100020633736_200000210301 [0,1,0,0,0,0|3,0,0]=4 336 B10R1.113 CN(C)c1cccc(c1)I 2230a_100000221217_200000210301 [0,1,0,0,0,0|3,0,0]=4 337 B10R1.113 CN(C)c1cccc(c1)I 269982a_100000221217_200000210301 [0,1,0,0,0,0|3,0,0]=4 338 B10R1.113 CN(C)c1cccc(c1)I 34a_100000221217_200000210301 [0,1,0,0,0,0|3,0,0]=4 339 B10R1.113 CN(C)c1cccc(c1)O 2230a_100000756613_200000210301 [0,1,0,0,0,0|3,0,0]=4 340 B10R1.113 CN(C)c1cccc(c1)O 269982a_100000756613_200000210301 [0,1,0,0,0,0|3,0,0]=4 341 B10R1.113 CN(C)c1cccc(c1)O 271570a_203496583355_100011215952 [0,1,0,0,0,0|3,0,0]=4 342 B10R1.113 CN(C)c1cccc(c1)O 34a_100000756613_200000210301 [0,1,0,0,0,0|3,0,0]=4 343 B10R1.113 CN([13CH3])c1cccc(c1)Br 2230a_100000219648_200025704644 [0,1,0,0,0,0|3,0,0]=4 344 B10R1.113 CN([13CH3])c1cccc(c1)Br 269982a_100000219648_200025704644 [0,1,0,0,0,0|3,0,0]=4 345 B10R1.113 CN([13CH3])c1cccc(c1)Br 34a_100000219648_200025704644 [0,1,0,0,0,0|3,0,0]=4 346 B10R1.113 CN([13CH3])c1cccc(c1)Cl 2230a_100000220044_200025704644 [0,1,0,0,0,0|3,0,0]=4 347 B10R1.113 CN([13CH3])c1cccc(c1)Cl 269982a_100000220044_200025704644 [0,1,0,0,0,0|3,0,0]=4 348 B10R1.113 CN([13CH3])c1cccc(c1)Cl 34a_100000220044_200025704644 [0,1,0,0,0,0|3,0,0]=4 349 B10R1.113 CN([13CH3])c1cccc(c1)F 2230a_100020633736_200025704644 [0,1,0,0,0,0|3,0,0]=4 350 B10R1.113 CN([13CH3])c1cccc(c1)F 269982a_100020633736_200025704644 [0,1,0,0,0,0|3,0,0]=4 351 B10R1.113 CN([13CH3])c1cccc(c1)F 34a_100020633736_200025704644 [0,1,0,0,0,0|3,0,0]=4 352 B10R1.113 CN([13CH3])c1cccc(c1)I 2230a_100000221217_200025704644 [0,1,0,0,0,0|3,0,0]=4 353 B10R1.113 CN([13CH3])c1cccc(c1)I 269982a_100000221217_200025704644 [0,1,0,0,0,0|3,0,0]=4 354 B10R1.113 CN([13CH3])c1cccc(c1)I 34a_100000221217_200025704644 [0,1,0,0,0,0|3,0,0]=4 355 B10R1.113 CN([13CH3])c1cccc(c1)O 2230a_100000756613_200025704644 [0,1,0,0,0,0|3,0,0]=4 356 B10R1.113 CN([13CH3])c1cccc(c1)O 269982a_100000756613_200025704644 [0,1,0,0,0,0|3,0,0]=4 357 B10R1.113 CN([13CH3])c1cccc(c1)O 34a_100000756613_200025704644 [0,1,0,0,0,0|3,0,0]=4 358 B10R1.113 CS(=O)c1cccc(c1)O 271570a_203496583355_100009816267 [0,1,0,0,0,0|2,0,0]=3 359 B10R1.113 Cc1cccc(c1)C(=O)[13CH3] 1458a_100000189346_200025704644 [0,1,0,0,0,0|1,0,0]=2 360 B10R1.113 Cc1cccc(c1)N(C)C 2230a_100000219674_200000210301 [0,1,0,0,0,0|3,0,0]=4 361 B10R1.113 Cc1cccc(c1)N(C)C 269982a_100000219674_200000210301 [0,1,0,0,0,0|3,0,0]=4 362 B10R1.113 Cc1cccc(c1)N(C)C 34a_100000219674_200000210301 [0,1,0,0,0,0|3,0,0]=4 363 B10R1.113 Cc1cccc(c1)N(C)[13CH3] 2230a_100000219674_200025704644 [0,1,0,0,0,0|3,0,0]=4 364 B10R1.113 Cc1cccc(c1)N(C)[13CH3] 269982a_100000219674_200025704644 [0,1,0,0,0,0|3,0,0]=4 365 B10R1.113 Cc1cccc(c1)N(C)[13CH3] 34a_100000219674_200025704644 [0,1,0,0,0,0|3,0,0]=4 366 B10R1.113 NC(=O)c1cc(ccn1)O 271570a_203496583355_100000229564 [0,1,0,0,0,0|2,0,0]=3 367 B10R1.113 NC(=O)c1cc(ncn1)O 271570a_203496583355_100000725265 [0,1,0,0,0,0|3,0,0]=4 368 B10R1.113 NC(=O)c1cccc(c1)O 271570a_203496583355_100000162208 [0,1,0,0,0,0|1,0,0]=2 369 B10R1.113 NC(=O)c1cccc(n1)O 271570a_203496583355_100011834053 [0,1,0,0,0,0|2,0,0]=3 370 B10R1.113 NC(=O)c1ccnc(c1)O 271570a_203496583355_100000229836 [0,1,0,0,0,0|2,0,0]=3 371 B10R1.113 NC(=O)c1ccnc(n1)O 271570a_203496583355_100000066158 [0,1,0,0,0,0|3,0,0]=4 372 B10R1.113 NC(=O)c1cncc(c1)O 271570a_203496583355_100000162242 [0,1,0,0,0,0|2,0,0]=3 373 B10R1.113 NC(=O)c1cncc(n1)O 271570a_203496583355_100000764846 [0,1,0,0,0,0|3,0,0]=4 374 B10R1.113 NC(=O)c1cnnc(c1)O 271570a_203496583355_100015785749 [0,1,0,0,0,0|3,0,0]=4 375 B10R1.113 OB(O)c1cccc(c1)O 271570a_203496583355_100000687717 [0,1,0,0,0,0|1,0,1]=3 376 B10R1.113 OB(O)c1cccc(n1)O 271570a_203496583355_100000117343 [0,1,0,0,0,0|2,0,1]=4 377 B10R1.113 OB(O)c1ccnc(c1)O 271570a_203496583355_100000049459 [0,1,0,0,0,0|2,0,1]=4 378 B10R1.113 OB(O)c1cncc(c1)O 271570a_203496583355_200009814628 [0,1,0,0,0,0|2,0,1]=4 379 B10R1.113 Oc1cccc(c1)C(F)F 271570a_203496583355_100009892619 [0,1,0,0,0,0|2,0,1]=4 380 B10R1.113 [13CH3]C(=O)c1cccc(c1)Br 1458a_100000210664_200025704644 [0,1,0,0,0,0|1,0,0]=2 381 B10R1.113 [13CH3]C(=O)c1cccc(c1)Cl 1458a_100000210390_200025704644 [0,1,0,0,0,0|1,0,0]=2 382 B10R1.113 [13CH3]C(=O)c1cccc(c1)F 1458a_100000210950_200025704644 [0,1,0,0,0,0|1,0,0]=2 383 B10R1.113 [13CH3]C(=O)c1cccc(c1)I 1458a_100000184098_200025704644 [0,1,0,0,0,0|1,0,0]=2 384 B10R1.113 [13CH3]C(=O)c1cccc(c1)O 1458a_100000183914_200025704644 [0,1,0,0,0,0|1,0,0]=2 385 B10R2.6 c1ccc(cc1)C2CC2 271570a_100011220607_100000210277 [0,0,0,1,0,0|2,0,1]=4 386 B8R1.7 C=C(C)c1ccco1 271570a_100000694244_100009814098 [0,0,0,0,1,0|3,0,0]=4 387 B8R1.7 C=C(C)c1cccs1 271570a_100000694244_100011215356 [0,0,0,0,1,0|3,0,0]=4 388 B8R1.7 C=C(C)c1ccoc1 271570a_100000694244_100011215275 [0,0,0,0,1,0|3,0,0]=4 389 B8R1.7 C=C(C)c1ccsc1 271570a_100000694244_100000738268 [0,0,0,0,1,0|3,0,0]=4 390 B10R1.18 CC(=Cc1ccccc1)C 271570a_100102525489_100000210277 [0,0,0,0,0,1|2,0,0]=3 391 B10R1.18 CC(=Cc1ccccn1)C 271570a_100102525489_100011216584 [0,0,0,0,0,1|3,0,0]=4 392 B10R1.18 CC(=Cc1cccnc1)C 271570a_100102525489_100000752921 [0,0,0,0,0,1|3,0,0]=4 393 B10R1.18 CC(=Cc1ccncc1)C 271570a_100102525489_100000035832 [0,0,0,0,0,1|3,0,0]=4 394 B10R1.18 CC(=O)C[n+]1ccccc1 1458a_200000086051_200000210301 [0,0,0,0,0,1|2,0,0]=3 395 B10R1.18 CC(=O)Cc1ccccc1 1458a_100000070787_100015291786 [0,0,0,0,0,1|1,0,0]=2 396 B10R1.18 CC(=O)Cc1ccccn1 1458a_100000070787_100000721315 [0,0,0,0,0,1|2,0,0]=3 397 B10R1.18 CC(=O)Cc1ccccn1 1458a_100000233486_200000210301 [0,0,0,0,0,1|2,0,0]=3 398 B10R1.18 CC(=O)Cc1cccnc1 1458a_100000070787_100000733263 [0,0,0,0,0,1|2,0,0]=3 399 B10R1.18 CC(=O)Cc1cccnc1 1458a_100000737805_200000210301 [0,0,0,0,0,1|2,0,0]=3 400 B10R1.18 CC(=O)Cc1cccnn1 1458a_100000070787_100016990269 [0,0,0,0,0,1|3,0,0]=4 401 B10R1.18 CC(=O)Cc1ccncc1 1458a_100000070787_100000705612 [0,0,0,0,0,1|2,0,0]=3 402 B10R1.18 CC(=O)Cc1cnccn1 1458a_100000070787_100016995436 [0,0,0,0,0,1|3,0,0]=4 403 B10R1.18 CC(=O)Cc1cncnc1 1458a_100000070787_100015196519 [0,0,0,0,0,1|3,0,0]=4 404 B10R1.18 CC(=O)Cc1cncnc1 1458a_100000721575_200000210301 [0,0,0,0,0,1|3,0,0]=4 405 B10R1.18 CC(=O)Cc1ncccn1 1458a_100000070787_100000703007 [0,0,0,0,0,1|3,0,0]=4 406 B10R1.18 CC(=O)Nc1ccccc1 11a_100000106764_100015343762 [0,0,0,0,0,1|1,0,0]=2 407 B10R1.18 CC(=O)Nc1ccccc1 1626a_100000106764_100015343762 [0,0,0,0,0,1|1,0,0]=2 408 B10R1.18 CC(=O)Nc1ccccc1 22a_100000106764_100000070787 [0,0,0,0,0,1|1,0,0]=2 409 B10R1.18 CC(=O)Nc1ccccc1 527a_100000106764_100103153847 [0,0,0,0,0,1|1,0,0]=2 410 B10R1.18 CC(C)Nc1ccccc1 34a_100000106764_100000210206 [0,0,0,0,0,1|2,0,1]=4 411 B10R1.18 CC(C)Oc1ccccc1 34a_100000210340_100000210206 [0,0,0,0,0,1|2,0,1]=4 412 B10R1.18 CC(C)Oc1ccccc1 7a_100000210340_100000210206 [0,0,0,0,0,1|2,0,1]=4 413 B10R1.18 CC(C)Sc1ccccc1 62a_100000210206_100000041952 [0,0,0,0,0,1|2,0,1]=4 414 B10R1.18 CC(C)Sc1ccccc1 62a_100000719477_100000210206 [0,0,0,0,0,1|2,0,1]=4 415 B10R1.18 CN(C)Cc1ccccc1 2230a_100000186898_200000210301 [0,0,0,0,0,1|3,0,0]=4 416 B10R1.18 CN(C)Cc1ccccc1 2230a_100102631434_100015291786 [0,0,0,0,0,1|3,0,0]=4 417 B10R1.18 CN(C)Cc1ccccc1 269982a_100000186898_200000210301 [0,0,0,0,0,1|3,0,0]=4 418 B10R1.18 CN(C)Cc1ccccc1 269982a_100102631434_100000211182 [0,0,0,0,0,1|3,0,0]=4 419 B10R1.18 CN(C)Cc1ccccc1 270004a_100102631434_100015611070 [0,0,0,0,0,1|3,0,0]=4 420 B10R1.18 CN([13CH3])Cc1ccccc1 2230a_100000186898_200025704644 [0,0,0,0,0,1|3,0,0]=4 421 B10R1.18 CN([13CH3])Cc1ccccc1 269982a_100000186898_200025704644 [0,0,0,0,0,1|3,0,0]=4 422 B10R1.18 [13CH3]C(=O)C[n+]1ccccc1 1458a_200000086051_200025704644 [0,0,0,0,0,1|2,0,0]=3 423 B10R1.18 [13CH3]C(=O)Cc1ccccn1 1458a_100000233486_200025704644 [0,0,0,0,0,1|2,0,0]=3 424 B10R1.18 [13CH3]C(=O)Cc1cccnc1 1458a_100000737805_200025704644 [0,0,0,0,0,1|2,0,0]=3 425 B10R1.18 [13CH3]C(=O)Cc1cncnc1 1458a_100000721575_200025704644 [0,0,0,0,0,1|3,0,0]=4 426 B7R0.4 C/C=C/C=CC(=O)C 1458a_100000185730_200000210301 [1,0,1,0,0,0|1,0,1]=4 427 B7R0.4 C/C=C/C=CC(=O)[13CH3] 1458a_100000185730_200025704644 [1,0,1,0,0,0|1,0,1]=4 428 B7R1.3 Oc1ccccc1 271570a_203496583355_100000210277 [2,0,0,0,0,0|0,0,0]=2 429 B7R1.3 Oc1ccccn1 271570a_203496583355_100011216584 [2,0,0,0,0,0|1,0,0]=3 430 B7R1.3 Oc1cccnc1 271570a_203496583355_100000752921 [2,0,0,0,0,0|1,0,0]=3 431 B7R1.3 Oc1cccnn1 271570a_203496583355_100016991348 [2,0,0,0,0,0|2,0,0]=4 432 B7R1.3 Oc1ccncc1 271570a_203496583355_100000035832 [2,0,0,0,0,0|1,0,0]=3 433 B7R1.3 Oc1ccncn1 271570a_203496583355_100000703185 [2,0,0,0,0,0|2,0,0]=4 434 B7R1.3 Oc1ccnnc1 271570a_203496583355_100000732662 [2,0,0,0,0,0|2,0,0]=4 435 B7R1.3 Oc1cnccn1 271570a_203496583355_100000758340 [2,0,0,0,0,0|2,0,0]=4 436 B7R1.3 Oc1cncnc1 271570a_203496583355_100011206942 [2,0,0,0,0,0|2,0,0]=4 437 B7R1.3 Oc1ncccn1 271570a_203496583355_100000211032 [2,0,0,0,0,0|2,0,0]=4 438 B9R0.4 C=CC=CC(=O)CC(=O)N 1458a_100016291481_100000187820 [0,1,1,0,0,0|1,0,1]=4 439 B9R0.4 C=CC=CC(=O)CC(=O)[O-] 1458a_100016291481_100020667443 [0,1,1,0,0,0|0,0,2]=4 440 B9R1.1 C=Cc1cc[n+](cc1)[O-] 271570a_100011290941_100000039755 [1,1,0,0,0,0|2,0,0]=4 441 B9R1.1 C=Cc1ccc(=O)[nH]c1 271570a_100011290941_100000212171 [1,1,0,0,0,0|2,0,0]=4 442 B9R1.1 C=Cc1ccc(cc1)Br 271570a_100011290941_100000752885 [1,1,0,0,0,0|1,0,0]=3 443 B9R1.1 C=Cc1ccc(cc1)C 271570a_100011290941_100000186775 [1,1,0,0,0,0|1,0,0]=3 444 B9R1.1 C=Cc1ccc(cc1)Cl 271570a_100011290941_100000755918 [1,1,0,0,0,0|1,0,0]=3 445 B9R1.1 C=Cc1ccc(cc1)F 271570a_100011290941_100000211213 [1,1,0,0,0,0|1,0,0]=3 446 B9R1.1 C=Cc1ccc(cc1)N 271570a_100011290941_100000185761 [1,1,0,0,0,0|1,0,0]=3 447 B9R1.1 C=Cc1ccc(cc1)O 271570a_100011290941_100000185759 [1,1,0,0,0,0|1,0,0]=3 448 B9R1.1 C=Cc1ccc(cn1)Br 271570a_100011290941_100000686858 [1,1,0,0,0,0|2,0,0]=4 449 B9R1.1 C=Cc1ccc(cn1)C 271570a_100011290941_100000754016 [1,1,0,0,0,0|2,0,0]=4 450 B9R1.1 C=Cc1ccc(cn1)Cl 271570a_100011290941_100011356976 [1,1,0,0,0,0|2,0,0]=4 451 B9R1.1 C=Cc1ccc(cn1)F 271570a_100011290941_100000744514 [1,1,0,0,0,0|2,0,0]=4 452 B9R1.1 C=Cc1ccc(cn1)N 271570a_100011290941_100000744251 [1,1,0,0,0,0|2,0,0]=4 453 B9R1.1 C=Cc1ccc(cn1)O 271570a_100011290941_100000685995 [1,1,0,0,0,0|2,0,0]=4 454 B9R1.1 C=Cc1ccc(nc1)Br 271570a_100011290941_100009814638 [1,1,0,0,0,0|2,0,0]=4 455 B9R1.1 C=Cc1ccc(nc1)C 271570a_100011290941_100000751577 [1,1,0,0,0,0|2,0,0]=4 456 B9R1.1 C=Cc1ccc(nc1)Cl 271570a_100011290941_100000034144 [1,1,0,0,0,0|2,0,0]=4 457 B9R1.1 C=Cc1ccc(nc1)F 271570a_100011290941_100000748661 [1,1,0,0,0,0|2,0,0]=4 458 B9R1.1 C=Cc1ccc(nc1)N 271570a_100011290941_100000187370 [1,1,0,0,0,0|2,0,0]=4 459 B9R1.1 CCc1ccc(cc1)O 271570a_203496583355_100011215824 [1,1,0,0,0,0|1,0,1]=4 460 B9R1.1 CNc1ccc(cc1)Br 2230a_100000210018_200000210301 [1,1,0,0,0,0|2,0,0]=4 461 B9R1.1 CNc1ccc(cc1)Br 34a_100000210018_200000210301 [1,1,0,0,0,0|2,0,0]=4 462 B9R1.1 CNc1ccc(cc1)C 34a_100000124888_200000210301 [1,1,0,0,0,0|2,0,0]=4 463 B9R1.1 CNc1ccc(cc1)Cl 2230a_100000210052_200000210301 [1,1,0,0,0,0|2,0,0]=4 464 B9R1.1 CNc1ccc(cc1)Cl 34a_100000210052_200000210301 [1,1,0,0,0,0|2,0,0]=4 465 B9R1.1 CNc1ccc(cc1)F 34a_100000185862_200000210301 [1,1,0,0,0,0|2,0,0]=4 466 B9R1.1 CNc1ccc(cc1)I 34a_100000185761_200000210301 [1,1,0,0,0,0|2,0,0]=4 467 B9R1.1 CNc1ccc(cc1)O 271570a_203496583355_100000219623 [1,1,0,0,0,0|2,0,0]=4 468 B9R1.1 CNc1ccc(cc1)O 34a_100000185829_200000210301 [1,1,0,0,0,0|2,0,0]=4 469 B9R1.1 COc1ccc(cc1)Br 34a_100000185759_200000210301 [1,1,0,0,0,0|2,0,0]=4 470 B9R1.1 COc1ccc(cc1)Br 7a_100000185759_200000210301 [1,1,0,0,0,0|2,0,0]=4 471 B9R1.1 COc1ccc(cc1)C 34a_100000210336_200000210301 [1,1,0,0,0,0|2,0,0]=4 472 B9R1.1 COc1ccc(cc1)C 7a_100000210336_200000210301 [1,1,0,0,0,0|2,0,0]=4 473 B9R1.1 COc1ccc(cc1)Cl 34a_100000210216_200000210301 [1,1,0,0,0,0|2,0,0]=4 474 B9R1.1 COc1ccc(cc1)Cl 7a_100000210216_200000210301 [1,1,0,0,0,0|2,0,0]=4 475 B9R1.1 COc1ccc(cc1)F 34a_100000210339_200000210301 [1,1,0,0,0,0|2,0,0]=4 476 B9R1.1 COc1ccc(cc1)I 34a_100000212066_200000210301 [1,1,0,0,0,0|2,0,0]=4 477 B9R1.1 COc1ccc(cc1)I 7a_100000212066_200000210301 [1,1,0,0,0,0|2,0,0]=4 478 B9R1.1 COc1ccc(cc1)N 34a_100000185829_200000210301 [1,1,0,0,0,0|2,0,0]=4 479 B9R1.1 COc1ccc(cc1)O 271570a_203496583355_100000171711 [1,1,0,0,0,0|2,0,0]=4 480 B9R1.1 CSc1ccc(cc1)Br 62a_100000752885_200000210301 [1,1,0,0,0,0|2,0,0]=4 481 B9R1.1 CSc1ccc(cc1)Br 62a_200000210301_100000752885 [1,1,0,0,0,0|2,0,0]=4 482 B9R1.1 CSc1ccc(cc1)C 62a_100000186775_200000210301 [1,1,0,0,0,0|2,0,0]=4 483 B9R1.1 CSc1ccc(cc1)C 62a_200000210301_100000186775 [1,1,0,0,0,0|2,0,0]=4 484 B9R1.1 CSc1ccc(cc1)Cl 62a_100000755918_200000210301 [1,1,0,0,0,0|2,0,0]=4 485 B9R1.1 CSc1ccc(cc1)Cl 62a_200000210301_100000755918 [1,1,0,0,0,0|2,0,0]=4 486 B9R1.1 CSc1ccc(cc1)F 62a_100000211213_200000210301 [1,1,0,0,0,0|2,0,0]=4 487 B9R1.1 CSc1ccc(cc1)F 62a_200000210301_100000211213 [1,1,0,0,0,0|2,0,0]=4 488 B9R1.1 CSc1ccc(cc1)N 62a_100000185761_200000210301 [1,1,0,0,0,0|2,0,0]=4 489 B9R1.1 CSc1ccc(cc1)N 62a_200000210301_100000185761 [1,1,0,0,0,0|2,0,0]=4 490 B9R1.1 CSc1ccc(cc1)O 271570a_203496583355_100011263217 [1,1,0,0,0,0|2,0,0]=4 491 B9R1.1 CSc1ccc(cc1)O 62a_200000210301_100000185759 [1,1,0,0,0,0|2,0,0]=4 492 B9R1.1 Cc1ccc(cc1)N[13CH3] 34a_100000124888_200025704644 [1,1,0,0,0,0|2,0,0]=4 493 B9R1.1 Cc1ccc(cc1)O[13CH3] 34a_100000210336_200025704644 [1,1,0,0,0,0|2,0,0]=4 494 B9R1.1 Cc1ccc(cc1)O[13CH3] 7a_100000210336_200025704644 [1,1,0,0,0,0|2,0,0]=4 495 B9R1.1 Cc1ccc(cc1)S[13CH3] 62a_100000186775_200025704644 [1,1,0,0,0,0|2,0,0]=4 496 B9R1.1 Cc1ccc(cc1)S[13CH3] 62a_200025704644_100000186775 [1,1,0,0,0,0|2,0,0]=4 497 B9R1.1 N#Cc1ccc(cc1)O 271570a_203496583355_100000179745 [1,1,0,0,0,0|1,0,1]=4 498 B9R1.1 NCc1ccc(cc1)O 271570a_203496583355_100016989417 [1,1,0,0,0,0|1,0,1]=4 499 B9R1.1 NNc1ccc(cc1)O 271570a_203496583355_100016988836 [1,1,0,0,0,0|2,0,0]=4 500 B9R1.1 O=Cc1ccc(cc1)O 271570a_203496583355_100000186029 [1,1,0,0,0,0|0,0,0]=2 501 B9R1.1 O=Cc1ccc(cn1)O 271570a_203496583355_100000754260 [1,1,0,0,0,0|1,0,0]=3 502 B9R1.1 O=Cc1ccc(nc1)O 271570a_203496583355_100000766901 [1,1,0,0,0,0|1,0,0]=3 503 B9R1.1 O=Cc1ccc(nn1)O 271570a_203496583355_100000044651 [1,1,0,0,0,0|2,0,0]=4 504 B9R1.1 O=Cc1cnc(cn1)O 271570a_203496583355_100012001714 [1,1,0,0,0,0|2,0,0]=4 505 B9R1.1 O=Cc1cnc(nc1)O 271570a_203496583355_100000070856 [1,1,0,0,0,0|2,0,0]=4 506 B9R1.1 OCc1ccc(cc1)O 271570a_203496583355_100000690907 [1,1,0,0,0,0|0,0,1]=3 507 B9R1.1 OCc1ccc(cn1)O 271570a_203496583355_100000754261 [1,1,0,0,0,0|1,0,1]=4 508 B9R1.1 OCc1ccc(nc1)O 271570a_203496583355_100009816760 [1,1,0,0,0,0|1,0,1]=4 509 B9R1.1 Oc1ccc(cc1)CF 271570a_203496583355_100010268989 [1,1,0,0,0,0|1,0,1]=4 510 B9R1.1 [13CH3]Nc1ccc(cc1)Br 2230a_100000210018_200025704644 [1,1,0,0,0,0|2,0,0]=4 511 B9R1.1 [13CH3]Nc1ccc(cc1)Br 34a_100000210018_200025704644 [1,1,0,0,0,0|2,0,0]=4 512 B9R1.1 [13CH3]Nc1ccc(cc1)Cl 2230a_100000210052_200025704644 [1,1,0,0,0,0|2,0,0]=4 513 B9R1.1 [13CH3]Nc1ccc(cc1)Cl 34a_100000210052_200025704644 [1,1,0,0,0,0|2,0,0]=4 514 B9R1.1 [13CH3]Nc1ccc(cc1)F 34a_100000185862_200025704644 [1,1,0,0,0,0|2,0,0]=4 515 B9R1.1 [13CH3]Nc1ccc(cc1)I 34a_100000185761_200025704644 [1,1,0,0,0,0|2,0,0]=4 516 B9R1.1 [13CH3]Nc1ccc(cc1)O 34a_100000185829_200025704644 [1,1,0,0,0,0|2,0,0]=4 517 B9R1.1 [13CH3]Oc1ccc(cc1)Br 34a_100000185759_200025704644 [1,1,0,0,0,0|2,0,0]=4 518 B9R1.1 [13CH3]Oc1ccc(cc1)Br 7a_100000185759_200025704644 [1,1,0,0,0,0|2,0,0]=4 519 B9R1.1 [13CH3]Oc1ccc(cc1)Cl 34a_100000210216_200025704644 [1,1,0,0,0,0|2,0,0]=4 520 B9R1.1 [13CH3]Oc1ccc(cc1)Cl 7a_100000210216_200025704644 [1,1,0,0,0,0|2,0,0]=4 521 B9R1.1 [13CH3]Oc1ccc(cc1)F 34a_100000210339_200025704644 [1,1,0,0,0,0|2,0,0]=4 522 B9R1.1 [13CH3]Oc1ccc(cc1)I 34a_100000212066_200025704644 [1,1,0,0,0,0|2,0,0]=4 523 B9R1.1 [13CH3]Oc1ccc(cc1)I 7a_100000212066_200025704644 [1,1,0,0,0,0|2,0,0]=4 524 B9R1.1 [13CH3]Oc1ccc(cc1)N 34a_100000185829_200025704644 [1,1,0,0,0,0|2,0,0]=4 525 B9R1.1 [13CH3]Sc1ccc(cc1)Br 62a_100000752885_200025704644 [1,1,0,0,0,0|2,0,0]=4 526 B9R1.1 [13CH3]Sc1ccc(cc1)Br 62a_200025704644_100000752885 [1,1,0,0,0,0|2,0,0]=4 527 B9R1.1 [13CH3]Sc1ccc(cc1)Cl 62a_100000755918_200025704644 [1,1,0,0,0,0|2,0,0]=4 528 B9R1.1 [13CH3]Sc1ccc(cc1)Cl 62a_200025704644_100000755918 [1,1,0,0,0,0|2,0,0]=4 529 B9R1.1 [13CH3]Sc1ccc(cc1)F 62a_100000211213_200025704644 [1,1,0,0,0,0|2,0,0]=4 530 B9R1.1 [13CH3]Sc1ccc(cc1)F 62a_200025704644_100000211213 [1,1,0,0,0,0|2,0,0]=4 531 B9R1.1 [13CH3]Sc1ccc(cc1)N 62a_100000185761_200025704644 [1,1,0,0,0,0|2,0,0]=4 532 B9R1.1 [13CH3]Sc1ccc(cc1)N 62a_200025704644_100000185761 [1,1,0,0,0,0|2,0,0]=4 533 B9R1.1 [13CH3]Sc1ccc(cc1)O 62a_200025704644_100000185759 [1,1,0,0,0,0|2,0,0]=4 534 B9R1.2 C=Cc1cc(ccn1)C 271570a_100011290941_100000750283 [1,1,0,0,0,0|2,0,0]=4 535 B9R1.2 C=Cc1cc(ccn1)Cl 271570a_100011290941_100010167805 [1,1,0,0,0,0|2,0,0]=4 536 B9R1.2 C=Cc1cc(ccn1)F 271570a_100011290941_100009817058 [1,1,0,0,0,0|2,0,0]=4 537 B9R1.2 C=Cc1cc(ccn1)N 271570a_100011290941_100009814236 [1,1,0,0,0,0|2,0,0]=4 538 B9R1.2 C=Cc1cc(ccn1)O 271570a_100011290941_100000762945 [1,1,0,0,0,0|2,0,0]=4 539 B9R1.2 C=Cc1cc[nH]c(=O)c1 271570a_100011290941_100009816521 [1,1,0,0,0,0|2,0,0]=4 540 B9R1.2 C=Cc1ccc[n+](c1)C 271570a_100011290941_100009996589 [1,1,0,0,0,0|2,0,0]=4 541 B9R1.2 C=Cc1ccc[n+](c1)[O-] 271570a_100011290941_100009815978 [1,1,0,0,0,0|2,0,0]=4 542 B9R1.2 C=Cc1cccc(=O)[nH]1 271570a_100011290941_100000761760 [1,1,0,0,0,0|2,0,0]=4 543 B9R1.2 C=Cc1cccc(c1)Br 271570a_100011290941_100000691529 [1,1,0,0,0,0|1,0,0]=3 544 B9R1.2 C=Cc1cccc(c1)C 271570a_100011290941_100011215228 [1,1,0,0,0,0|1,0,0]=3 545 B9R1.2 C=Cc1cccc(c1)Cl 271570a_100011290941_100000699651 [1,1,0,0,0,0|1,0,0]=3 546 B9R1.2 C=Cc1cccc(c1)F 271570a_100011290941_100000685547 [1,1,0,0,0,0|1,0,0]=3 547 B9R1.2 C=Cc1cccc(c1)N 271570a_100011290941_100000210019 [1,1,0,0,0,0|1,0,0]=3 548 B9R1.2 C=Cc1cccc(c1)O 271570a_100011290941_100000211634 [1,1,0,0,0,0|1,0,0]=3 549 B9R1.2 C=Cc1cccc(c1)[S] 271570a_100011290941_114929384022 [1,1,0,0,0,0|1,0,0]=3 550 B9R1.2 C=Cc1cccc(n1)Br 271570a_100011290941_100000684672 [1,1,0,0,0,0|2,0,0]=4 551 B9R1.2 C=Cc1cccc(n1)C 271570a_100011290941_100000742759 [1,1,0,0,0,0|2,0,0]=4 552 B9R1.2 C=Cc1cccc(n1)F 271570a_100011290941_100009815982 [1,1,0,0,0,0|2,0,0]=4 553 B9R1.2 C=Cc1cccc(n1)N 271570a_100011290941_100000740741 [1,1,0,0,0,0|2,0,0]=4 554 B9R1.2 C=Cc1ccnc(c1)Br 271570a_100011290941_100009814637 [1,1,0,0,0,0|2,0,0]=4 555 B9R1.2 C=Cc1ccnc(c1)C 271570a_100011290941_100000758586 [1,1,0,0,0,0|2,0,0]=4 556 B9R1.2 C=Cc1ccnc(c1)Cl 271570a_100011290941_100000035001 [1,1,0,0,0,0|2,0,0]=4 557 B9R1.2 C=Cc1ccnc(c1)F 271570a_100011290941_100009816116 [1,1,0,0,0,0|2,0,0]=4 558 B9R1.2 C=Cc1ccnc(c1)N 271570a_100011290941_100000744379 [1,1,0,0,0,0|2,0,0]=4 559 B9R1.2 C=Cc1cncc(c1)Br 271570a_100011290941_100000728054 [1,1,0,0,0,0|2,0,0]=4 560 B9R1.2 C=Cc1cncc(c1)C 271570a_100011290941_100000760492 [1,1,0,0,0,0|2,0,0]=4 561 B9R1.2 C=Cc1cncc(c1)Cl 271570a_100011290941_100000049639 [1,1,0,0,0,0|2,0,0]=4 562 B9R1.2 C=Cc1cncc(c1)F 271570a_100011290941_100000744099 [1,1,0,0,0,0|2,0,0]=4 563 B9R1.2 C=Cc1cncc(c1)N 271570a_100011290941_100000687067 [1,1,0,0,0,0|2,0,0]=4 564 B9R1.2 C=Cc1cncc(c1)O 271570a_100011290941_100000754920 [1,1,0,0,0,0|2,0,0]=4 565 B9R1.2 CCc1cccc(c1)O 271570a_203496583355_100000684523 [1,1,0,0,0,0|1,0,1]=4 566 B9R1.2 CNc1cccc(c1)Br 34a_100000210019_200000210301 [1,1,0,0,0,0|2,0,0]=4 567 B9R1.2 CNc1cccc(c1)C 2230a_100000188690_200000210301 [1,1,0,0,0,0|2,0,0]=4 568 B9R1.2 CNc1cccc(c1)C 34a_100000188690_200000210301 [1,1,0,0,0,0|2,0,0]=4 569 B9R1.2 CNc1cccc(c1)Cl 34a_100000185859_200000210301 [1,1,0,0,0,0|2,0,0]=4 570 B9R1.2 CNc1cccc(c1)F 34a_100000210047_200000210301 [1,1,0,0,0,0|2,0,0]=4 571 B9R1.2 CNc1cccc(c1)I 34a_100000211102_200000210301 [1,1,0,0,0,0|2,0,0]=4 572 B9R1.2 CNc1cccc(c1)O 271570a_203496583355_100000219648 [1,1,0,0,0,0|2,0,0]=4 573 B9R1.2 CNc1cccc(c1)O 34a_100000210217_200000210301 [1,1,0,0,0,0|2,0,0]=4 574 B9R1.2 COc1cccc(c1)Br 34a_100000210342_200000210301 [1,1,0,0,0,0|2,0,0]=4 575 B9R1.2 COc1cccc(c1)Br 7a_100000210342_200000210301 [1,1,0,0,0,0|2,0,0]=4 576 B9R1.2 COc1cccc(c1)C 34a_100000210337_200000210301 [1,1,0,0,0,0|2,0,0]=4 577 B9R1.2 COc1cccc(c1)C 7a_100000210337_200000210301 [1,1,0,0,0,0|2,0,0]=4 578 B9R1.2 COc1cccc(c1)Cl 34a_100000210295_200000210301 [1,1,0,0,0,0|2,0,0]=4 579 B9R1.2 COc1cccc(c1)Cl 7a_100000210295_200000210301 [1,1,0,0,0,0|2,0,0]=4 580 B9R1.2 COc1cccc(c1)F 34a_100000210426_200000210301 [1,1,0,0,0,0|2,0,0]=4 581 B9R1.2 COc1cccc(c1)F 7a_100000210426_200000210301 [1,1,0,0,0,0|2,0,0]=4 582 B9R1.2 COc1cccc(c1)I 34a_100000211634_200000210301 [1,1,0,0,0,0|2,0,0]=4 583 B9R1.2 COc1cccc(c1)I 7a_100000211634_200000210301 [1,1,0,0,0,0|2,0,0]=4 584 B9R1.2 COc1cccc(c1)N 34a_100000210217_200000210301 [1,1,0,0,0,0|2,0,0]=4 585 B9R1.2 COc1cccc(c1)O 271570a_203496583355_100000170001 [1,1,0,0,0,0|2,0,0]=4 586 B9R1.2 CSc1cccc(c1)Br 62a_100000691529_200000210301 [1,1,0,0,0,0|2,0,0]=4 587 B9R1.2 CSc1cccc(c1)Br 62a_200000210301_100000691529 [1,1,0,0,0,0|2,0,0]=4 588 B9R1.2 CSc1cccc(c1)C 62a_100011215228_200000210301 [1,1,0,0,0,0|2,0,0]=4 589 B9R1.2 CSc1cccc(c1)C 62a_200000210301_100011215228 [1,1,0,0,0,0|2,0,0]=4 590 B9R1.2 CSc1cccc(c1)Cl 62a_100000699651_200000210301 [1,1,0,0,0,0|2,0,0]=4 591 B9R1.2 CSc1cccc(c1)Cl 62a_200000210301_100000699651 [1,1,0,0,0,0|2,0,0]=4 592 B9R1.2 CSc1cccc(c1)F 62a_100000685547_200000210301 [1,1,0,0,0,0|2,0,0]=4 593 B9R1.2 CSc1cccc(c1)F 62a_200000210301_100000685547 [1,1,0,0,0,0|2,0,0]=4 594 B9R1.2 CSc1cccc(c1)N 62a_100000210019_200000210301 [1,1,0,0,0,0|2,0,0]=4 595 B9R1.2 CSc1cccc(c1)N 62a_200000210301_100000210019 [1,1,0,0,0,0|2,0,0]=4 596 B9R1.2 CSc1cccc(c1)O 271570a_203496583355_100011215954 [1,1,0,0,0,0|2,0,0]=4 597 B9R1.2 CSc1cccc(c1)O 62a_200000210301_100000211634 [1,1,0,0,0,0|2,0,0]=4 598 B9R1.2 CSc1cccc(c1)[S] 62a_114929384022_200000210301 [1,1,0,0,0,0|2,0,0]=4 599 B9R1.2 CSc1cccc(c1)[S] 62a_200000210301_114929384022 [1,1,0,0,0,0|2,0,0]=4 600 B9R1.2 Cc1cccc(c1)N[13CH3] 2230a_100000188690_200025704644 [1,1,0,0,0,0|2,0,0]=4 601 B9R1.2 Cc1cccc(c1)N[13CH3] 34a_100000188690_200025704644 [1,1,0,0,0,0|2,0,0]=4 602 B9R1.2 Cc1cccc(c1)O[13CH3] 34a_100000210337_200025704644 [1,1,0,0,0,0|2,0,0]=4 603 B9R1.2 Cc1cccc(c1)O[13CH3] 7a_100000210337_200025704644 [1,1,0,0,0,0|2,0,0]=4 604 B9R1.2 Cc1cccc(c1)S[13CH3] 62a_100011215228_200025704644 [1,1,0,0,0,0|2,0,0]=4 605 B9R1.2 Cc1cccc(c1)S[13CH3] 62a_200025704644_100011215228 [1,1,0,0,0,0|2,0,0]=4 606 B9R1.2 N#Cc1cccc(c1)O 271570a_203496583355_100000189340 [1,1,0,0,0,0|1,0,1]=4 607 B9R1.2 NCc1cccc(c1)O 271570a_203496583355_100000106179 [1,1,0,0,0,0|1,0,1]=4 608 B9R1.2 NNc1cccc(c1)O 271570a_203496583355_100000217339 [1,1,0,0,0,0|2,0,0]=4 609 B9R1.2 O=Cc1cc(ccn1)O 271570a_203496583355_100011998288 [1,1,0,0,0,0|1,0,0]=3 610 B9R1.2 O=Cc1cccc(c1)O 271570a_203496583355_100000014684 [1,1,0,0,0,0|0,0,0]=2 611 B9R1.2 O=Cc1cccc(n1)O 271570a_203496583355_100000688028 [1,1,0,0,0,0|1,0,0]=3 612 B9R1.2 O=Cc1ccnc(c1)O 271570a_203496583355_100011290808 [1,1,0,0,0,0|1,0,0]=3 613 B9R1.2 O=Cc1cncc(c1)O 271570a_203496583355_100000687066 [1,1,0,0,0,0|1,0,0]=3 614 B9R1.2 OCc1cc(ccn1)O 271570a_203496583355_100009819072 [1,1,0,0,0,0|1,0,1]=4 615 B9R1.2 OCc1cccc(c1)O 271570a_203496583355_100000687537 [1,1,0,0,0,0|0,0,1]=3 616 B9R1.2 OCc1cccc(n1)O 271570a_203496583355_100000694195 [1,1,0,0,0,0|1,0,1]=4 617 B9R1.2 OCc1ccnc(c1)O 271570a_203496583355_100009814636 [1,1,0,0,0,0|1,0,1]=4 618 B9R1.2 OCc1cncc(c1)O 271570a_203496583355_100011259137 [1,1,0,0,0,0|1,0,1]=4 619 B9R1.2 Oc1cccc(c1)CF 271570a_203496583355_100010878472 [1,1,0,0,0,0|1,0,1]=4 620 B9R1.2 [13CH3]Nc1cccc(c1)Br 34a_100000210019_200025704644 [1,1,0,0,0,0|2,0,0]=4 621 B9R1.2 [13CH3]Nc1cccc(c1)Cl 34a_100000185859_200025704644 [1,1,0,0,0,0|2,0,0]=4 622 B9R1.2 [13CH3]Nc1cccc(c1)F 34a_100000210047_200025704644 [1,1,0,0,0,0|2,0,0]=4 623 B9R1.2 [13CH3]Nc1cccc(c1)I 34a_100000211102_200025704644 [1,1,0,0,0,0|2,0,0]=4 624 B9R1.2 [13CH3]Nc1cccc(c1)O 34a_100000210217_200025704644 [1,1,0,0,0,0|2,0,0]=4 625 B9R1.2 [13CH3]Oc1cccc(c1)Br 34a_100000210342_200025704644 [1,1,0,0,0,0|2,0,0]=4 626 B9R1.2 [13CH3]Oc1cccc(c1)Br 7a_100000210342_200025704644 [1,1,0,0,0,0|2,0,0]=4 627 B9R1.2 [13CH3]Oc1cccc(c1)Cl 34a_100000210295_200025704644 [1,1,0,0,0,0|2,0,0]=4 628 B9R1.2 [13CH3]Oc1cccc(c1)Cl 7a_100000210295_200025704644 [1,1,0,0,0,0|2,0,0]=4 629 B9R1.2 [13CH3]Oc1cccc(c1)F 34a_100000210426_200025704644 [1,1,0,0,0,0|2,0,0]=4 630 B9R1.2 [13CH3]Oc1cccc(c1)F 7a_100000210426_200025704644 [1,1,0,0,0,0|2,0,0]=4 631 B9R1.2 [13CH3]Oc1cccc(c1)I 34a_100000211634_200025704644 [1,1,0,0,0,0|2,0,0]=4 632 B9R1.2 [13CH3]Oc1cccc(c1)I 7a_100000211634_200025704644 [1,1,0,0,0,0|2,0,0]=4 633 B9R1.2 [13CH3]Oc1cccc(c1)N 34a_100000210217_200025704644 [1,1,0,0,0,0|2,0,0]=4 634 B9R1.2 [13CH3]Sc1cccc(c1)Br 62a_100000691529_200025704644 [1,1,0,0,0,0|2,0,0]=4 635 B9R1.2 [13CH3]Sc1cccc(c1)Br 62a_200025704644_100000691529 [1,1,0,0,0,0|2,0,0]=4 636 B9R1.2 [13CH3]Sc1cccc(c1)Cl 62a_100000699651_200025704644 [1,1,0,0,0,0|2,0,0]=4 637 B9R1.2 [13CH3]Sc1cccc(c1)Cl 62a_200025704644_100000699651 [1,1,0,0,0,0|2,0,0]=4 638 B9R1.2 [13CH3]Sc1cccc(c1)F 62a_100000685547_200025704644 [1,1,0,0,0,0|2,0,0]=4 639 B9R1.2 [13CH3]Sc1cccc(c1)F 62a_200025704644_100000685547 [1,1,0,0,0,0|2,0,0]=4 640 B9R1.2 [13CH3]Sc1cccc(c1)N 62a_100000210019_200025704644 [1,1,0,0,0,0|2,0,0]=4 641 B9R1.2 [13CH3]Sc1cccc(c1)N 62a_200025704644_100000210019 [1,1,0,0,0,0|2,0,0]=4 642 B9R1.2 [13CH3]Sc1cccc(c1)O 62a_200025704644_100000211634 [1,1,0,0,0,0|2,0,0]=4 643 B9R1.2 [13CH3]Sc1cccc(c1)[S] 62a_114929384022_200025704644 [1,1,0,0,0,0|2,0,0]=4 644 B9R1.2 [13CH3]Sc1cccc(c1)[S] 62a_200025704644_114929384022 [1,1,0,0,0,0|2,0,0]=4 645 B9R1.8 C=C=Cc1ccccc1 271570a_100015277604_100000210277 [1,1,0,0,0,0|1,0,0]=3 646 B9R1.8 C=C=Cc1ccccn1 271570a_100015277604_100011216584 [1,1,0,0,0,0|2,0,0]=4 647 B9R1.8 C=C=Cc1cccnc1 271570a_100015277604_100000752921 [1,1,0,0,0,0|2,0,0]=4 648 B9R1.8 C=C=Cc1ccncc1 271570a_100015277604_100000035832 [1,1,0,0,0,0|2,0,0]=4 649 B9R1.8 CC=Cc1ccccc1 271570a_100016259895_100000210277 [1,1,0,0,0,0|1,0,0]=3 650 B9R1.8 CC=Cc1ccccn1 271570a_100016259895_100011216584 [1,1,0,0,0,0|2,0,0]=4 651 B9R1.8 CC=Cc1cccnc1 271570a_100016259895_100000752921 [1,1,0,0,0,0|2,0,0]=4 652 B9R1.8 CC=Cc1ccncc1 271570a_100016259895_100000035832 [1,1,0,0,0,0|2,0,0]=4 653 B9R1.8 CCNc1ccccc1 34a_100000106764_100000210202 [1,1,0,0,0,0|1,0,1]=4 654 B9R1.8 CCOc1ccccc1 34a_100000210340_100000210202 [1,1,0,0,0,0|1,0,1]=4 655 B9R1.8 CCOc1ccccc1 7a_100000210340_100000210202 [1,1,0,0,0,0|1,0,1]=4 656 B9R1.8 CCSc1ccccc1 62a_100000210202_100000041952 [1,1,0,0,0,0|1,0,1]=4 657 B9R1.8 CCSc1ccccc1 62a_100000719477_100000210202 [1,1,0,0,0,0|1,0,1]=4 658 B9R1.8 CNCc1ccccc1 207a_100102657272_100015611070 [1,1,0,0,0,0|1,0,1]=4 659 B9R1.8 CNCc1ccccc1 2230a_100015324214_200000210301 [1,1,0,0,0,0|1,0,1]=4 660 B9R1.8 CNCc1ccccc1 2230a_106832991635_100015291786 [1,1,0,0,0,0|1,0,1]=4 661 B9R1.8 CNCc1ccccc1 270004a_106832991635_100015611070 [1,1,0,0,0,0|1,0,1]=4 662 B9R1.8 CNCc1ccccc1 34a_100015324214_200000210301 [1,1,0,0,0,0|1,0,1]=4 663 B9R1.8 CNCc1ccccc1 34a_100102657272_100015291786 [1,1,0,0,0,0|1,0,1]=4 664 B9R1.8 CNCc1ccccc1 7a_106832991635_100000211182 [1,1,0,0,0,0|1,0,1]=4 665 B9R1.8 COCc1ccccc1 34a_100000210790_200000210301 [1,1,0,0,0,0|0,0,1]=3 666 B9R1.8 COCc1ccccc1 34a_100138415774_100015291786 [1,1,0,0,0,0|0,0,1]=3 667 B9R1.8 COCc1ccccc1 7a_100000210790_200000210301 [1,1,0,0,0,0|0,0,1]=3 668 B9R1.8 COCc1ccccn1 34a_100138415774_100000721315 [1,1,0,0,0,0|1,0,1]=4 669 B9R1.8 COCc1cccnc1 34a_100138415774_100000733263 [1,1,0,0,0,0|1,0,1]=4 670 B9R1.8 CSCc1ccccc1 62a_100000211182_200000210301 [1,1,0,0,0,0|0,1,1]=4 671 B9R1.8 CSCc1ccccc1 62a_200000210301_100015291786 [1,1,0,0,0,0|0,1,1]=4 672 B9R1.8 FCNc1ccccc1 34a_100000106764_100015361967 [1,1,0,0,0,0|1,0,1]=4 673 B9R1.8 FCOc1ccccc1 34a_100000210340_100015361967 [1,1,0,0,0,0|1,0,1]=4 674 B9R1.8 FCOc1ccccc1 7a_100000210340_100015361967 [1,1,0,0,0,0|1,0,1]=4 675 B9R1.8 FCSc1ccccc1 62a_100000719477_100015361967 [1,1,0,0,0,0|1,0,1]=4 676 B9R1.8 FCSc1ccccc1 62a_100015361967_100000041952 [1,1,0,0,0,0|1,0,1]=4 677 B9R1.8 [13CH3]NCc1ccccc1 2230a_100015324214_200025704644 [1,1,0,0,0,0|1,0,1]=4 678 B9R1.8 [13CH3]NCc1ccccc1 34a_100015324214_200025704644 [1,1,0,0,0,0|1,0,1]=4 679 B9R1.8 [13CH3]OCc1ccccc1 34a_100000210790_200025704644 [1,1,0,0,0,0|0,0,1]=3 680 B9R1.8 [13CH3]OCc1ccccc1 7a_100000210790_200025704644 [1,1,0,0,0,0|0,0,1]=3 681 B9R1.8 [13CH3]SCc1ccccc1 62a_100000211182_200025704644 [1,1,0,0,0,0|0,1,1]=4 682 B9R1.8 [13CH3]SCc1ccccc1 62a_200025704644_100015291786 [1,1,0,0,0,0|0,1,1]=4 683 B9R1.15 C=Cc1c[nH]ccc1=O 271570a_100011290941_100009998708 [1,1,0,0,0,0|2,0,0]=4 684 B9R1.15 C=Cc1c[nH]ccc1=S 271570a_100011290941_200012280681 [1,1,0,0,0,0|2,0,0]=4 685 B9R1.15 C=Cc1ccc[nH]c1=O 271570a_100011290941_100000050042 [1,1,0,0,0,0|2,0,0]=4 686 B9R1.15 C=Cc1cccc[n+]1C 271570a_100011290941_100000212160 [1,1,0,0,0,0|2,0,0]=4 687 B9R1.15 C=Cc1cccc[n+]1[O-] 271570a_100011290941_200000042595 [1,1,0,0,0,0|2,0,0]=4 688 B9R1.15 C=Cc1ccccc1Br 271570a_100011290941_100000695589 [1,1,0,0,0,0|1,0,0]=3 689 B9R1.15 C=Cc1ccccc1C 271570a_100011290941_100000210755 [1,1,0,0,0,0|1,0,0]=3 690 B9R1.15 C=Cc1ccccc1Cl 271570a_100011290941_100000764095 [1,1,0,0,0,0|1,0,0]=3 691 B9R1.15 C=Cc1ccccc1F 271570a_100011290941_100011215700 [1,1,0,0,0,0|1,0,0]=3 692 B9R1.15 C=Cc1ccccc1N 271570a_100011290941_100000210017 [1,1,0,0,0,0|1,0,0]=3 693 B9R1.15 C=Cc1ccccc1O 271570a_100011290941_100000739446 [1,1,0,0,0,0|1,0,0]=3 694 B9R1.15 C=Cc1cccnc1Br 271570a_100011290941_100010202626 [1,1,0,0,0,0|2,0,0]=4 695 B9R1.15 C=Cc1cccnc1C 271570a_100011290941_100000751574 [1,1,0,0,0,0|2,0,0]=4 696 B9R1.15 C=Cc1cccnc1Cl 271570a_100011290941_100000036424 [1,1,0,0,0,0|2,0,0]=4 697 B9R1.15 C=Cc1cccnc1F 271570a_100011290941_100009816115 [1,1,0,0,0,0|2,0,0]=4 698 B9R1.15 C=Cc1cccnc1N 271570a_100011290941_100000045569 [1,1,0,0,0,0|2,0,0]=4 699 B9R1.15 C=Cc1ccncc1Br 271570a_100011290941_100000726257 [1,1,0,0,0,0|2,0,0]=4 700 B9R1.15 C=Cc1ccncc1C 271570a_100011290941_100015191297 [1,1,0,0,0,0|2,0,0]=4 701 B9R1.15 C=Cc1ccncc1Cl 271570a_100011290941_100000708259 [1,1,0,0,0,0|2,0,0]=4 702 B9R1.15 C=Cc1ccncc1F 271570a_100011290941_100000047030 [1,1,0,0,0,0|2,0,0]=4 703 B9R1.15 C=Cc1ccncc1N 271570a_100011290941_100009815883 [1,1,0,0,0,0|2,0,0]=4 704 B9R1.15 C=Cc1ccncc1O 271570a_100011290941_100009817591 [1,1,0,0,0,0|2,0,0]=4 705 B9R1.15 C=Cc1cnccc1Br 271570a_100011290941_100010138639 [1,1,0,0,0,0|2,0,0]=4 706 B9R1.15 C=Cc1cnccc1C 271570a_100011290941_100000761580 [1,1,0,0,0,0|2,0,0]=4 707 B9R1.15 C=Cc1cnccc1Cl 271570a_100011290941_100009995489 [1,1,0,0,0,0|2,0,0]=4 708 B9R1.15 C=Cc1cnccc1F 271570a_100011290941_100009820683 [1,1,0,0,0,0|2,0,0]=4 709 B9R1.15 C=Cc1cnccc1N 271570a_100011290941_100000047001 [1,1,0,0,0,0|2,0,0]=4 710 B9R1.15 C=Cc1ncccc1Br 271570a_100011290941_100000696092 [1,1,0,0,0,0|2,0,0]=4 711 B9R1.15 C=Cc1ncccc1C 271570a_100011290941_100000751373 [1,1,0,0,0,0|2,0,0]=4 712 B9R1.15 C=Cc1ncccc1Cl 271570a_100011290941_100011356963 [1,1,0,0,0,0|2,0,0]=4 713 B9R1.15 C=Cc1ncccc1F 271570a_100011290941_100000685392 [1,1,0,0,0,0|2,0,0]=4 714 B9R1.15 C=Cc1ncccc1N 271570a_100011290941_100000688686 [1,1,0,0,0,0|2,0,0]=4 715 B9R1.15 C=Cc1ncccc1O 271570a_100011290941_100000034122 [1,1,0,0,0,0|2,0,0]=4 716 B9R1.15 CCc1ccccc1O 271570a_203496583355_100011215823 [1,1,0,0,0,0|1,0,1]=4 717 B9R1.15 CNc1ccccc1Br 34a_100000210017_200000210301 [1,1,0,0,0,0|2,0,0]=4 718 B9R1.15 CNc1ccccc1C 34a_100015192222_200000210301 [1,1,0,0,0,0|2,0,0]=4 719 B9R1.15 CNc1ccccc1Cl 34a_100000185783_200000210301 [1,1,0,0,0,0|2,0,0]=4 720 B9R1.15 CNc1ccccc1F 34a_100000210422_200000210301 [1,1,0,0,0,0|2,0,0]=4 721 B9R1.15 CNc1ccccc1I 34a_100000210053_200000210301 [1,1,0,0,0,0|2,0,0]=4 722 B9R1.15 CNc1ccccc1O 271570a_203496583355_100020606079 [1,1,0,0,0,0|2,0,0]=4 723 B9R1.15 CNc1ccccc1O 34a_100000185747_200000210301 [1,1,0,0,0,0|2,0,0]=4 724 B9R1.15 COc1ccccc1Br 34a_100000181306_200000210301 [1,1,0,0,0,0|2,0,0]=4 725 B9R1.15 COc1ccccc1Br 7a_100000181306_200000210301 [1,1,0,0,0,0|2,0,0]=4 726 B9R1.15 COc1ccccc1C 34a_100000210338_200000210301 [1,1,0,0,0,0|2,0,0]=4 727 B9R1.15 COc1ccccc1C 7a_100000210338_200000210301 [1,1,0,0,0,0|2,0,0]=4 728 B9R1.15 COc1ccccc1Cl 34a_100000210172_200000210301 [1,1,0,0,0,0|2,0,0]=4 729 B9R1.15 COc1ccccc1Cl 7a_100000210172_200000210301 [1,1,0,0,0,0|2,0,0]=4 730 B9R1.15 COc1ccccc1F 34a_100000210171_200000210301 [1,1,0,0,0,0|2,0,0]=4 731 B9R1.15 COc1ccccc1F 7a_100000210171_200000210301 [1,1,0,0,0,0|2,0,0]=4 732 B9R1.15 COc1ccccc1I 34a_100000739446_200000210301 [1,1,0,0,0,0|2,0,0]=4 733 B9R1.15 COc1ccccc1I 7a_100000739446_200000210301 [1,1,0,0,0,0|2,0,0]=4 734 B9R1.15 COc1ccccc1N 34a_100000185747_200000210301 [1,1,0,0,0,0|2,0,0]=4 735 B9R1.15 COc1ccccc1N 7a_100000185747_200000210301 [1,1,0,0,0,0|2,0,0]=4 736 B9R1.15 COc1ccccc1O 271570a_203496583355_100000174000 [1,1,0,0,0,0|2,0,0]=4 737 B9R1.15 CSc1ccccc1Br 62a_100000695589_200000210301 [1,1,0,0,0,0|2,0,0]=4 738 B9R1.15 CSc1ccccc1Br 62a_200000210301_100000695589 [1,1,0,0,0,0|2,0,0]=4 739 B9R1.15 CSc1ccccc1C 62a_100000210755_200000210301 [1,1,0,0,0,0|2,0,0]=4 740 B9R1.15 CSc1ccccc1C 62a_200000210301_100000210755 [1,1,0,0,0,0|2,0,0]=4 741 B9R1.15 CSc1ccccc1Cl 62a_100000764095_200000210301 [1,1,0,0,0,0|2,0,0]=4 742 B9R1.15 CSc1ccccc1Cl 62a_200000210301_100000764095 [1,1,0,0,0,0|2,0,0]=4 743 B9R1.15 CSc1ccccc1F 62a_100011215700_200000210301 [1,1,0,0,0,0|2,0,0]=4 744 B9R1.15 CSc1ccccc1F 62a_200000210301_100011215700 [1,1,0,0,0,0|2,0,0]=4 745 B9R1.15 CSc1ccccc1N 62a_100000210017_200000210301 [1,1,0,0,0,0|2,0,0]=4 746 B9R1.15 CSc1ccccc1N 62a_200000210301_100000210017 [1,1,0,0,0,0|2,0,0]=4 747 B9R1.15 CSc1ccccc1O 271570a_203496583355_100011217816 [1,1,0,0,0,0|2,0,0]=4 748 B9R1.15 CSc1ccccc1O 62a_100000739446_200000210301 [1,1,0,0,0,0|2,0,0]=4 749 B9R1.15 CSc1ccccc1O 62a_200000210301_100000739446 [1,1,0,0,0,0|2,0,0]=4 750 B9R1.15 Cc1ccccc1N[13CH3] 34a_100015192222_200025704644 [1,1,0,0,0,0|2,0,0]=4 751 B9R1.15 Cc1ccccc1O[13CH3] 34a_100000210338_200025704644 [1,1,0,0,0,0|2,0,0]=4 752 B9R1.15 Cc1ccccc1O[13CH3] 7a_100000210338_200025704644 [1,1,0,0,0,0|2,0,0]=4 753 B9R1.15 Cc1ccccc1S[13CH3] 62a_100000210755_200025704644 [1,1,0,0,0,0|2,0,0]=4 754 B9R1.15 Cc1ccccc1S[13CH3] 62a_200025704644_100000210755 [1,1,0,0,0,0|2,0,0]=4 755 B9R1.15 N#Cc1ccccc1O 271570a_203496583355_100000188569 [1,1,0,0,0,0|1,0,1]=4 756 B9R1.15 NCc1ccccc1O 271570a_203496583355_100000689332 [1,1,0,0,0,0|1,0,1]=4 757 B9R1.15 NNc1ccccc1O 271570a_203496583355_100000241748 [1,1,0,0,0,0|2,0,0]=4 758 B9R1.15 O=Cc1ccccc1O 271570a_203496583355_100000211189 [1,1,0,0,0,0|0,0,0]=2 759 B9R1.15 O=Cc1cccnc1O 271570a_203496583355_100009816751 [1,1,0,0,0,0|1,0,0]=3 760 B9R1.15 O=Cc1ccncc1O 271570a_203496583355_100011934409 [1,1,0,0,0,0|1,0,0]=3 761 B9R1.15 O=Cc1cnccc1O 271570a_203496583355_100000050567 [1,1,0,0,0,0|1,0,0]=3 762 B9R1.15 O=Cc1ncccc1O 271570a_203496583355_100011934733 [1,1,0,0,0,0|1,0,0]=3 763 B9R1.15 OCc1ccccc1O 271570a_203496583355_100000187465 [1,1,0,0,0,0|0,0,1]=3 764 B9R1.15 OCc1cccnc1O 271570a_203496583355_100000748726 [1,1,0,0,0,0|1,0,1]=4 765 B9R1.15 OCc1ccncc1O 271570a_203496583355_100009873359 [1,1,0,0,0,0|1,0,1]=4 766 B9R1.15 OCc1cnccc1O 271570a_203496583355_100000117392 [1,1,0,0,0,0|1,0,1]=4 767 B9R1.15 OCc1ncccc1O 271570a_203496583355_100011996772 [1,1,0,0,0,0|1,0,1]=4 768 B9R1.15 [13CH3]Nc1ccccc1Br 34a_100000210017_200025704644 [1,1,0,0,0,0|2,0,0]=4 769 B9R1.15 [13CH3]Nc1ccccc1Cl 34a_100000185783_200025704644 [1,1,0,0,0,0|2,0,0]=4 770 B9R1.15 [13CH3]Nc1ccccc1F 34a_100000210422_200025704644 [1,1,0,0,0,0|2,0,0]=4 771 B9R1.15 [13CH3]Nc1ccccc1I 34a_100000210053_200025704644 [1,1,0,0,0,0|2,0,0]=4 772 B9R1.15 [13CH3]Nc1ccccc1O 34a_100000185747_200025704644 [1,1,0,0,0,0|2,0,0]=4 773 B9R1.15 [13CH3]Oc1ccccc1Br 34a_100000181306_200025704644 [1,1,0,0,0,0|2,0,0]=4 774 B9R1.15 [13CH3]Oc1ccccc1Br 7a_100000181306_200025704644 [1,1,0,0,0,0|2,0,0]=4 775 B9R1.15 [13CH3]Oc1ccccc1Cl 34a_100000210172_200025704644 [1,1,0,0,0,0|2,0,0]=4 776 B9R1.15 [13CH3]Oc1ccccc1Cl 7a_100000210172_200025704644 [1,1,0,0,0,0|2,0,0]=4 777 B9R1.15 [13CH3]Oc1ccccc1F 34a_100000210171_200025704644 [1,1,0,0,0,0|2,0,0]=4 778 B9R1.15 [13CH3]Oc1ccccc1F 7a_100000210171_200025704644 [1,1,0,0,0,0|2,0,0]=4 779 B9R1.15 [13CH3]Oc1ccccc1I 34a_100000739446_200025704644 [1,1,0,0,0,0|2,0,0]=4 780 B9R1.15 [13CH3]Oc1ccccc1I 7a_100000739446_200025704644 [1,1,0,0,0,0|2,0,0]=4 781 B9R1.15 [13CH3]Oc1ccccc1N 34a_100000185747_200025704644 [1,1,0,0,0,0|2,0,0]=4 782 B9R1.15 [13CH3]Oc1ccccc1N 7a_100000185747_200025704644 [1,1,0,0,0,0|2,0,0]=4 783 B9R1.15 [13CH3]Sc1ccccc1Br 62a_100000695589_200025704644 [1,1,0,0,0,0|2,0,0]=4 784 B9R1.15 [13CH3]Sc1ccccc1Br 62a_200025704644_100000695589 [1,1,0,0,0,0|2,0,0]=4 785 B9R1.15 [13CH3]Sc1ccccc1Cl 62a_100000764095_200025704644 [1,1,0,0,0,0|2,0,0]=4 786 B9R1.15 [13CH3]Sc1ccccc1Cl 62a_200025704644_100000764095 [1,1,0,0,0,0|2,0,0]=4 787 B9R1.15 [13CH3]Sc1ccccc1F 62a_100011215700_200025704644 [1,1,0,0,0,0|2,0,0]=4 788 B9R1.15 [13CH3]Sc1ccccc1F 62a_200025704644_100011215700 [1,1,0,0,0,0|2,0,0]=4 789 B9R1.15 [13CH3]Sc1ccccc1N 62a_100000210017_200025704644 [1,1,0,0,0,0|2,0,0]=4 790 B9R1.15 [13CH3]Sc1ccccc1N 62a_200025704644_100000210017 [1,1,0,0,0,0|2,0,0]=4 791 B9R1.15 [13CH3]Sc1ccccc1O 62a_100000739446_200025704644 [1,1,0,0,0,0|2,0,0]=4 792 B9R1.15 [13CH3]Sc1ccccc1O 62a_200025704644_100000739446 [1,1,0,0,0,0|2,0,0]=4 793 B9R1.35 CC(=O)c1cc(cs1)O 271570a_203496583355_100000718618 [0,1,0,0,1,0|2,0,0]=4 794 B9R1.35 CC(=O)c1ccc([nH]1)O 271570a_203496583355_200010494458 [0,1,0,0,1,0|2,0,0]=4 795 B9R1.35 CC(=O)c1ccc(o1)O 271570a_203496583355_100000229899 [0,1,0,0,1,0|2,0,0]=4 796 B9R1.35 CC(=O)c1ccc(s1)O 271570a_203496583355_100000183331 [0,1,0,0,1,0|2,0,0]=4 797 B9R1.35 CC(=O)c1csc(c1)O 271570a_203496583355_200012344231 [0,1,0,0,1,0|2,0,0]=4 798 B9R1.35 NC(=O)c1cc(c[nH]1)O 271570a_203496583355_100000229580 [0,1,0,0,1,0|2,0,0]=4 799 B9R1.35 NC(=O)c1cc(co1)O 271570a_203496583355_200009817131 [0,1,0,0,1,0|2,0,0]=4 800 B9R1.35 NC(=O)c1cc(cs1)O 271570a_203496583355_100009812991 [0,1,0,0,1,0|2,0,0]=4 801 B9R1.35 NC(=O)c1ccc(s1)O 271570a_203496583355_100000162267 [0,1,0,0,1,0|2,0,0]=4 802 B9R1.35 NC(=O)c1csc(c1)O 271570a_203496583355_100000747962 [0,1,0,0,1,0|2,0,0]=4 803 B9R1.41 CC(=O)c1sccc1O 271570a_203496583355_100000738688 [0,1,0,0,1,0|2,0,0]=4 804 B9R1.41 NC(=O)c1cscc1O 271570a_203496583355_100009817205 [0,1,0,0,1,0|2,0,0]=4 805 B11R1.20 CC(=Cc1ccc(cc1)Br)C 271570a_100102525489_100000752885 [0,1,0,0,0,1|2,0,0]=4 806 B11R1.20 CC(=Cc1ccc(cc1)C)C 271570a_100102525489_100000186775 [0,1,0,0,0,1|2,0,0]=4 807 B11R1.20 CC(=Cc1ccc(cc1)Cl)C 271570a_100102525489_100000755918 [0,1,0,0,0,1|2,0,0]=4 808 B11R1.20 CC(=Cc1ccc(cc1)F)C 271570a_100102525489_100000211213 [0,1,0,0,0,1|2,0,0]=4 809 B11R1.20 CC(=Cc1ccc(cc1)N)C 271570a_100102525489_100000185761 [0,1,0,0,0,1|2,0,0]=4 810 B11R1.20 CC(=Cc1ccc(cc1)O)C 271570a_100102525489_100000185759 [0,1,0,0,0,1|2,0,0]=4 811 B11R1.20 CC(=O)Cc1ccc(cc1)Br 1458a_100000070787_100000189115 [0,1,0,0,0,1|1,0,0]=3 812 B11R1.20 CC(=O)Cc1ccc(cc1)Br 1458a_100000198978_200000210301 [0,1,0,0,0,1|1,0,0]=3 813 B11R1.20 CC(=O)Cc1ccc(cc1)C 1458a_100000070787_100000210814 [0,1,0,0,0,1|1,0,0]=3 814 B11R1.20 CC(=O)Cc1ccc(cc1)C 1458a_100000212244_200000210301 [0,1,0,0,0,1|1,0,0]=3 815 B11R1.20 CC(=O)Cc1ccc(cc1)Cl 1458a_100000070787_100000694040 [0,1,0,0,0,1|1,0,0]=3 816 B11R1.20 CC(=O)Cc1ccc(cc1)Cl 1458a_100000211027_200000210301 [0,1,0,0,0,1|1,0,0]=3 817 B11R1.20 CC(=O)Cc1ccc(cc1)F 1458a_100000070787_100000198546 [0,1,0,0,0,1|1,0,0]=3 818 B11R1.20 CC(=O)Cc1ccc(cc1)F 1458a_100000210951_200000210301 [0,1,0,0,0,1|1,0,0]=3 819 B11R1.20 CC(=O)Cc1ccc(cc1)I 1458a_100000070787_100000189116 [0,1,0,0,0,1|1,0,0]=3 820 B11R1.20 CC(=O)Cc1ccc(cc1)I 1458a_100000688869_200000210301 [0,1,0,0,0,1|1,0,0]=3 821 B11R1.20 CC(=O)Cc1ccc(cc1)O 1458a_100000198540_200000210301 [0,1,0,0,0,1|1,0,0]=3 822 B11R1.20 CC(=O)Cc1ccc(cc1)O 271570a_203496583355_100000691760 [0,1,0,0,0,1|1,0,0]=3 823 B11R1.20 CC(=O)Cc1ccc(cn1)Br 1458a_100000070787_100000702658 [0,1,0,0,0,1|2,0,0]=4 824 B11R1.20 CC(=O)Cc1ccc(cn1)Br 1458a_100020629044_200000210301 [0,1,0,0,0,1|2,0,0]=4 825 B11R1.20 CC(=O)Cc1ccc(cn1)C 1458a_100000070787_100000691093 [0,1,0,0,0,1|2,0,0]=4 826 B11R1.20 CC(=O)Cc1ccc(cn1)C 1458a_100025705728_200000210301 [0,1,0,0,0,1|2,0,0]=4 827 B11R1.20 CC(=O)Cc1ccc(cn1)Cl 1458a_100000070787_100012066911 [0,1,0,0,0,1|2,0,0]=4 828 B11R1.20 CC(=O)Cc1ccc(cn1)Cl 1458a_100000728320_200000210301 [0,1,0,0,0,1|2,0,0]=4 829 B11R1.20 CC(=O)Cc1ccc(cn1)F 1458a_100000070787_100000703193 [0,1,0,0,0,1|2,0,0]=4 830 B11R1.20 CC(=O)Cc1ccc(nc1)Br 1458a_100000070787_100009831999 [0,1,0,0,0,1|2,0,0]=4 831 B11R1.20 CC(=O)Cc1ccc(nc1)Br 1458a_100010067268_200000210301 [0,1,0,0,0,1|2,0,0]=4 832 B11R1.20 CC(=O)Cc1ccc(nc1)C 1458a_100000070787_100016987292 [0,1,0,0,0,1|2,0,0]=4 833 B11R1.20 CC(=O)Cc1ccc(nc1)C 1458a_100000740413_200000210301 [0,1,0,0,0,1|2,0,0]=4 834 B11R1.20 CC(=O)Cc1ccc(nc1)Cl 1458a_100000061944_200000210301 [0,1,0,0,0,1|2,0,0]=4 835 B11R1.20 CC(=O)Cc1ccc(nc1)Cl 1458a_100000070787_100000735431 [0,1,0,0,0,1|2,0,0]=4 836 B11R1.20 CC(=O)Cc1ccc(nc1)F 1458a_100000070787_100009820150 [0,1,0,0,0,1|2,0,0]=4 837 B11R1.20 CC(=O)Cn1ccc(=O)cc1 1458a_200000238563_200000210301 [0,1,0,0,0,1|2,0,0]=4 838 B11R1.20 CC(=O)Nc1ccc(cc1)Br 11a_100000210018_100015343762 [0,1,0,0,0,1|1,0,0]=3 839 B11R1.20 CC(=O)Nc1ccc(cc1)Br 1626a_100000210018_100015343762 [0,1,0,0,0,1|1,0,0]=3 840 B11R1.20 CC(=O)Nc1ccc(cc1)Br 22a_100000210018_100000070787 [0,1,0,0,0,1|1,0,0]=3 841 B11R1.20 CC(=O)Nc1ccc(cc1)Br 527a_100000210018_100103153847 [0,1,0,0,0,1|1,0,0]=3 842 B11R1.20 CC(=O)Nc1ccc(cc1)C 11a_100000124888_100015343762 [0,1,0,0,0,1|1,0,0]=3 843 B11R1.20 CC(=O)Nc1ccc(cc1)C 1626a_100000124888_100015343762 [0,1,0,0,0,1|1,0,0]=3 844 B11R1.20 CC(=O)Nc1ccc(cc1)C 22a_100000124888_100000070787 [0,1,0,0,0,1|1,0,0]=3 845 B11R1.20 CC(=O)Nc1ccc(cc1)C 527a_100000124888_100103153847 [0,1,0,0,0,1|1,0,0]=3 846 B11R1.20 CC(=O)Nc1ccc(cc1)Cl 11a_100000210052_100015343762 [0,1,0,0,0,1|1,0,0]=3 847 B11R1.20 CC(=O)Nc1ccc(cc1)Cl 1626a_100000210052_100015343762 [0,1,0,0,0,1|1,0,0]=3 848 B11R1.20 CC(=O)Nc1ccc(cc1)Cl 22a_100000210052_100000070787 [0,1,0,0,0,1|1,0,0]=3 849 B11R1.20 CC(=O)Nc1ccc(cc1)Cl 527a_100000210052_100103153847 [0,1,0,0,0,1|1,0,0]=3 850 B11R1.20 CC(=O)Nc1ccc(cc1)F 11a_100000185862_100015343762 [0,1,0,0,0,1|1,0,0]=3 851 B11R1.20 CC(=O)Nc1ccc(cc1)F 1626a_100000185862_100015343762 [0,1,0,0,0,1|1,0,0]=3 852 B11R1.20 CC(=O)Nc1ccc(cc1)F 22a_100000185862_100000070787 [0,1,0,0,0,1|1,0,0]=3 853 B11R1.20 CC(=O)Nc1ccc(cc1)F 527a_100000185862_100103153847 [0,1,0,0,0,1|1,0,0]=3 854 B11R1.20 CC(=O)Nc1ccc(cc1)I 11a_100000185761_100015343762 [0,1,0,0,0,1|1,0,0]=3 855 B11R1.20 CC(=O)Nc1ccc(cc1)I 1626a_100000185761_100015343762 [0,1,0,0,0,1|1,0,0]=3 856 B11R1.20 CC(=O)Nc1ccc(cc1)I 22a_100000185761_100000070787 [0,1,0,0,0,1|1,0,0]=3 857 B11R1.20 CC(=O)Nc1ccc(cc1)I 527a_100000185761_100103153847 [0,1,0,0,0,1|1,0,0]=3 858 B11R1.20 CC(=O)Nc1ccc(cc1)O 22a_100000185829_100000070787 [0,1,0,0,0,1|1,0,0]=3 859 B11R1.20 CC(=O)Nc1ccc(cc1)O 271570a_203496583355_100000155215 [0,1,0,0,0,1|1,0,0]=3 860 B11R1.20 CC(=O)Nc1ccc(cn1)O 271570a_203496583355_100000193312 [0,1,0,0,0,1|2,0,0]=4 861 B11R1.20 CC(=O)Nc1ccc(nc1)O 271570a_203496583355_100011934715 [0,1,0,0,0,1|2,0,0]=4 862 B11R1.20 CC(=O)Oc1ccc(cc1)O 271570a_203496583355_100000002173 [0,1,0,0,0,1|1,0,0]=3 863 B11R1.20 CC(=O)Sc1ccc(cc1)O 271570a_203496583355_200009995050 [0,1,0,0,0,1|1,0,0]=3 864 B11R1.20 CC(=S)Oc1ccc(cc1)O 271570a_203496583355_200009816735 [0,1,0,0,0,1|1,1,0]=4 865 B11R1.20 Cc1ccc(cc1)CC(=O)[13CH3] 1458a_100000212244_200025704644 [0,1,0,0,0,1|1,0,0]=3 866 B11R1.20 Cc1ccc(cn1)CC(=O)[13CH3] 1458a_100000740413_200025704644 [0,1,0,0,0,1|2,0,0]=4 867 B11R1.20 Cc1ccc(nc1)CC(=O)[13CH3] 1458a_100025705728_200025704644 [0,1,0,0,0,1|2,0,0]=4 868 B11R1.20 NC(=O)Cc1ccc(cc1)O 271570a_203496583355_100000162331 [0,1,0,0,0,1|1,0,0]=3 869 B11R1.20 NC(=O)Cc1ccc(cn1)O 271570a_203496583355_200010888337 [0,1,0,0,0,1|2,0,0]=4 870 B11R1.20 NC(=O)Cc1ccc(nc1)O 271570a_203496583355_200000071513 [0,1,0,0,0,1|2,0,0]=4 871 B11R1.20 NC(=O)Nc1ccc(cc1)O 271570a_203496583355_100000198584 [0,1,0,0,0,1|1,0,0]=3 872 B11R1.20 Oc1ccc(cc1)C=C(Br)Br 271570a_203496583355_200013992848 [0,1,0,0,0,1|2,0,0]=4 873 B11R1.20 Oc1ccc(cc1)C=C(F)F 271570a_203496583355_200009816947 [0,1,0,0,0,1|2,0,0]=4 874 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)Br 1458a_100000198978_200025704644 [0,1,0,0,0,1|1,0,0]=3 875 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)Cl 1458a_100000211027_200025704644 [0,1,0,0,0,1|1,0,0]=3 876 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)F 1458a_100000210951_200025704644 [0,1,0,0,0,1|1,0,0]=3 877 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)I 1458a_100000688869_200025704644 [0,1,0,0,0,1|1,0,0]=3 878 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)O 1458a_100000198540_200025704644 [0,1,0,0,0,1|1,0,0]=3 879 B11R1.20 [13CH3]C(=O)Cc1ccc(cn1)Br 1458a_100020629044_200025704644 [0,1,0,0,0,1|2,0,0]=4 880 B11R1.20 [13CH3]C(=O)Cc1ccc(cn1)Cl 1458a_100000728320_200025704644 [0,1,0,0,0,1|2,0,0]=4 881 B11R1.20 [13CH3]C(=O)Cc1ccc(nc1)Br 1458a_100010067268_200025704644 [0,1,0,0,0,1|2,0,0]=4 882 B11R1.20 [13CH3]C(=O)Cc1ccc(nc1)Cl 1458a_100000061944_200025704644 [0,1,0,0,0,1|2,0,0]=4 883 B11R1.20 [13CH3]C(=O)Cn1ccc(=O)cc1 1458a_200000238563_200025704644 [0,1,0,0,0,1|2,0,0]=4 884 B11R1.36 C=C(C(=O)C)c1ccccc1 1458a_100000065200_200000210301 [0,1,0,0,0,1|1,0,0]=3 885 B11R1.36 C=C(C(=O)[13CH3])c1ccccc1 1458a_100000065200_200025704644 [0,1,0,0,0,1|1,0,0]=3 886 B11R1.36 CC(=C(C)c1ccccc1)C 271570a_200000049429_100000210277 [0,1,0,0,0,1|2,0,0]=4 887 B11R1.36 CC(=O)C(C)c1ccccc1 1458a_100000070787_100000230085 [0,1,0,0,0,1|1,0,0]=3 888 B11R1.36 CC(=O)C(C)c1ccccn1 1458a_100000722050_200000210301 [0,1,0,0,0,1|2,0,0]=4 889 B11R1.36 CC(=O)C(F)c1ccccc1 1458a_100000698975_200000210301 [0,1,0,0,0,1|1,0,0]=3 890 B11R1.36 CC(=O)N(C)c1ccccc1 11a_100000210012_100015343762 [0,1,0,0,0,1|1,0,0]=3 891 B11R1.36 CC(=O)N(C)c1ccccc1 1626a_100000210012_100015343762 [0,1,0,0,0,1|1,0,0]=3 892 B11R1.36 CC(=O)N(C)c1ccccc1 22a_100000210012_100000070787 [0,1,0,0,0,1|1,0,0]=3 893 B11R1.36 CC(=O)[C@@H](C)c1ccccc1 1458a_100000751047_200000210301 [0,1,0,0,0,1|1,0,0]=3 894 B11R1.36 CC(=O)[C@H](O)c1ccccc1 1458a_100000684486_200000210301 [0,1,0,0,0,1|1,0,0]=3 895 B11R1.36 CC(C(=O)[13CH3])c1ccccn1 1458a_100000722050_200025704644 [0,1,0,0,0,1|2,0,0]=4 896 B11R1.36 C[C@H](C(=O)[13CH3])c1ccccc1 1458a_100000751047_200025704644 [0,1,0,0,0,1|1,0,0]=3 897 B11R1.36 [13CH3]C(=O)C(F)c1ccccc1 1458a_100000698975_200025704644 [0,1,0,0,0,1|1,0,0]=3 898 B11R1.36 [13CH3]C(=O)[C@H](O)c1ccccc1 1458a_100000684486_200025704644 [0,1,0,0,0,1|1,0,0]=3 899 B11R1.40 C#CC(=O)Cc1ccccc1 1458a_100000211873_100015291786 [0,1,0,0,0,1|1,0,0]=3 900 B11R1.40 C#CC(=O)Cc1ccccn1 1458a_100000211873_100000721315 [0,1,0,0,0,1|2,0,0]=4 901 B11R1.40 C#CC(=O)Cc1cccnc1 1458a_100000211873_100000733263 [0,1,0,0,0,1|2,0,0]=4 902 B11R1.40 C#CC(=O)Cc1ccncc1 1458a_100000211873_100000705612 [0,1,0,0,0,1|2,0,0]=4 903 B11R1.40 C=CC(=O)Cc1ccccc1 1458a_100000185746_100015291786 [0,1,0,0,0,1|1,0,0]=3 904 B11R1.40 C=CC(=O)Cc1ccccn1 1458a_100000185746_100000721315 [0,1,0,0,0,1|2,0,0]=4 905 B11R1.40 C=CC(=O)Cc1cccnc1 1458a_100000185746_100000733263 [0,1,0,0,0,1|2,0,0]=4 906 B11R1.40 C=CC(=O)Cc1ccncc1 1458a_100000185746_100000705612 [0,1,0,0,0,1|2,0,0]=4 907 B11R1.40 C=CC(=O)Nc1ccccc1 1626a_100000106764_100000185746 [0,1,0,0,0,1|1,0,0]=3 908 B11R1.40 C=CC(=O)Nc1ccccc1 22a_100000106764_100000185746 [0,1,0,0,0,1|1,0,0]=3 909 B11R1.40 CC(CO)Nc1ccccc1 34a_100000106764_100012180447 [0,1,0,0,0,1|1,0,1]=4 910 B11R1.40 CC(CO)Oc1ccccc1 34a_100000210340_100012180447 [0,1,0,0,0,1|1,0,1]=4 911 B11R1.40 CC(CO)Oc1ccccc1 7a_100000210340_100012180447 [0,1,0,0,0,1|1,0,1]=4 912 B11R1.40 CC(CO)Sc1ccccc1 62a_100012180447_100000041952 [0,1,0,0,0,1|1,0,1]=4 913 B11R1.40 CC(Cc1ccccc1)O[13CH3] 34a_100000748627_200025704644 [0,1,0,0,0,1|1,0,1]=4 914 B11R1.40 CC(Cc1ccccc1)O[13CH3] 7a_100000748627_200025704644 [0,1,0,0,0,1|1,0,1]=4 915 B11R1.40 CCC(=O)C[n+]1ccccc1 1458a_200000086051_100000210202 [0,1,0,0,0,1|2,0,0]=4 916 B11R1.40 CCC(=O)Cc1ccccc1 1458a_100000210414_100015291786 [0,1,0,0,0,1|1,0,0]=3 917 B11R1.40 CCC(=O)Cc1ccccn1 1458a_100000210414_100000721315 [0,1,0,0,0,1|2,0,0]=4 918 B11R1.40 CCC(=O)Cc1ccccn1 1458a_100000233486_100000210202 [0,1,0,0,0,1|2,0,0]=4 919 B11R1.40 CCC(=O)Cc1cccnc1 1458a_100000210414_100000733263 [0,1,0,0,0,1|2,0,0]=4 920 B11R1.40 CCC(=O)Cc1cccnc1 1458a_100000737805_100000210202 [0,1,0,0,0,1|2,0,0]=4 921 B11R1.40 CCC(=O)Cc1ccncc1 1458a_100000210414_100000705612 [0,1,0,0,0,1|2,0,0]=4 922 B11R1.40 CCC(=O)Nc1ccccc1 11a_100000106764_100000210414 [0,1,0,0,0,1|1,0,0]=3 923 B11R1.40 CCC(=O)Nc1ccccc1 1626a_100000106764_100000210414 [0,1,0,0,0,1|1,0,0]=3 924 B11R1.40 CCC(=O)Nc1ccccc1 22a_100000106764_100000210414 [0,1,0,0,0,1|1,0,0]=3 925 B11R1.40 CCC(=O)Nc1ccccc1 527a_100000106764_100000210414 [0,1,0,0,0,1|1,0,0]=3 926 B11R1.40 CNC(=O)C[n+]1ccccc1 11a_106832991635_200000086051 [0,1,0,0,0,1|2,0,0]=4 927 B11R1.40 CNC(=O)C[n+]1ccccc1 240690a_100102657272_200000086051 [0,1,0,0,0,1|2,0,0]=4 928 B11R1.40 CNC(=O)C[n+]1ccccc1 527a_100102657272_200000086051 [0,1,0,0,0,1|2,0,0]=4 929 B11R1.40 CNC(=O)Cc1ccccn1 11a_106832991635_100000233486 [0,1,0,0,0,1|2,0,0]=4 930 B11R1.40 CNC(=O)Cc1cccnc1 11a_106832991635_100000737805 [0,1,0,0,0,1|2,0,0]=4 931 B11R1.40 CNC(=O)Cc1cccnc1 240690a_100102657272_100000737805 [0,1,0,0,0,1|2,0,0]=4 932 B11R1.40 CNC(=O)Cc1cccnc1 527a_100102657272_100000737805 [0,1,0,0,0,1|2,0,0]=4 933 B11R1.40 CNC(=O)Cc1ccncc1 11a_106832991635_100011201483 [0,1,0,0,0,1|2,0,0]=4 934 B11R1.40 CNC(=O)Cc1ccncc1 240690a_100102657272_100011201483 [0,1,0,0,0,1|2,0,0]=4 935 B11R1.40 CNC(=O)Nc1ccccc1 2430a_100000106764_100102657272 [0,1,0,0,0,1|1,0,0]=3 936 B11R1.40 COC(C)Cc1ccccc1 34a_100000748627_200000210301 [0,1,0,0,0,1|1,0,1]=4 937 B11R1.40 COC(C)Cc1ccccc1 34a_100138415774_200011218536 [0,1,0,0,0,1|1,0,1]=4 938 B11R1.40 COC(C)Cc1ccccc1 7a_100000748627_200000210301 [0,1,0,0,0,1|1,0,1]=4 939 B11R1.40 COC(C)Sc1ccccc1 62a_100000719477_100009879195 [0,1,0,0,0,1|1,0,1]=4 940 B11R1.40 COC(C)Sc1ccccc1 62a_100009879195_100000041952 [0,1,0,0,0,1|1,0,1]=4 941 B11R1.40 C[C@H](CO)Sc1ccccc1 62a_100000719477_100016084084 [0,1,0,0,0,1|1,0,1]=4 942 B11R1.40 C[C@H](CO)Sc1ccccc1 62a_100016084084_100000041952 [0,1,0,0,0,1|1,0,1]=4 943 B11R1.40 O=C(CF)C[n+]1ccccc1 1458a_200000086051_100015361967 [0,1,0,0,0,1|2,0,0]=4 944 B11R1.40 O=C(CF)Cc1ccccn1 1458a_100000233486_100015361967 [0,1,0,0,0,1|2,0,0]=4 945 B11R1.40 O=C(CF)Cc1cccnc1 1458a_100000737805_100015361967 [0,1,0,0,0,1|2,0,0]=4 946 B11R1.40 O=C(CO)Cc1ccccc1 1458a_100000210174_100015291786 [0,1,0,0,0,1|0,0,0]=2 947 B11R1.40 O=C(CO)Cc1ccccn1 1458a_100000210174_100000721315 [0,1,0,0,0,1|1,0,0]=3 948 B11R1.40 O=C(CO)Cc1cccnc1 1458a_100000210174_100000733263 [0,1,0,0,0,1|1,0,0]=3 949 B11R1.40 O=C(CO)Cc1cccnn1 1458a_100000210174_100016990269 [0,1,0,0,0,1|2,0,0]=4 950 B11R1.40 O=C(CO)Cc1ccncc1 1458a_100000210174_100000705612 [0,1,0,0,0,1|1,0,0]=3 951 B11R1.40 O=C(CO)Cc1cnccn1 1458a_100000210174_100016995436 [0,1,0,0,0,1|2,0,0]=4 952 B11R1.40 O=C(CO)Cc1cncnc1 1458a_100000210174_100015196519 [0,1,0,0,0,1|2,0,0]=4 953 B11R1.40 O=C(CO)Cc1ncccn1 1458a_100000210174_100000703007 [0,1,0,0,0,1|2,0,0]=4 954 B11R1.40 O=C(CO)Nc1ccccc1 22a_100000106764_100000210174 [0,1,0,0,0,1|0,0,0]=2 955 B11R1.40 O=C(CO)Nc1ccccc1 527a_100000106764_100000210174 [0,1,0,0,0,1|0,0,0]=2 956 B11R1.86 CC(=Cc1ccccc1Br)C 271570a_100102525489_100000695589 [0,1,0,0,0,1|2,0,0]=4 957 B11R1.86 CC(=Cc1ccccc1C)C 271570a_100102525489_100000210755 [0,1,0,0,0,1|2,0,0]=4 958 B11R1.86 CC(=Cc1ccccc1Cl)C 271570a_100102525489_100000764095 [0,1,0,0,0,1|2,0,0]=4 959 B11R1.86 CC(=Cc1ccccc1F)C 271570a_100102525489_100011215700 [0,1,0,0,0,1|2,0,0]=4 960 B11R1.86 CC(=Cc1ccccc1N)C 271570a_100102525489_100000210017 [0,1,0,0,0,1|2,0,0]=4 961 B11R1.86 CC(=Cc1ccccc1O)C 271570a_100102525489_100000739446 [0,1,0,0,0,1|2,0,0]=4 962 B11R1.86 CC(=O)Cc1ccccc1Br 1458a_100000070787_100000184730 [0,1,0,0,0,1|1,0,0]=3 963 B11R1.86 CC(=O)Cc1ccccc1Br 1458a_100000751119_200000210301 [0,1,0,0,0,1|1,0,0]=3 964 B11R1.86 CC(=O)Cc1ccccc1C 1458a_100000070787_100000211839 [0,1,0,0,0,1|1,0,0]=3 965 B11R1.86 CC(=O)Cc1ccccc1C 1458a_100000212180_200000210301 [0,1,0,0,0,1|1,0,0]=3 966 B11R1.86 CC(=O)Cc1ccccc1Cl 1458a_100000070787_100000187162 [0,1,0,0,0,1|1,0,0]=3 967 B11R1.86 CC(=O)Cc1ccccc1Cl 1458a_100000183793_200000210301 [0,1,0,0,0,1|1,0,0]=3 968 B11R1.86 CC(=O)Cc1ccccc1F 1458a_100000070787_100000187165 [0,1,0,0,0,1|1,0,0]=3 969 B11R1.86 CC(=O)Cc1ccccc1F 1458a_100000212012_200000210301 [0,1,0,0,0,1|1,0,0]=3 970 B11R1.86 CC(=O)Cc1ccccc1I 1458a_100000036491_200000210301 [0,1,0,0,0,1|1,0,0]=3 971 B11R1.86 CC(=O)Cc1ccccc1I 1458a_100000070787_100011216222 [0,1,0,0,0,1|1,0,0]=3 972 B11R1.86 CC(=O)Cc1ccccc1O 1458a_100000743006_200000210301 [0,1,0,0,0,1|1,0,0]=3 973 B11R1.86 CC(=O)Cc1ccccc1O 271570a_203496583355_100011350739 [0,1,0,0,0,1|1,0,0]=3 974 B11R1.86 CC(=O)Cc1cccnc1Br 1458a_100000070787_100010140945 [0,1,0,0,0,1|2,0,0]=4 975 B11R1.86 CC(=O)Cc1cccnc1C 1458a_100000070787_100000732876 [0,1,0,0,0,1|2,0,0]=4 976 B11R1.86 CC(=O)Cc1cccnc1Cl 1458a_100000070787_100000045678 [0,1,0,0,0,1|2,0,0]=4 977 B11R1.86 CC(=O)Cc1cccnc1Cl 1458a_100000093521_200000210301 [0,1,0,0,0,1|2,0,0]=4 978 B11R1.86 CC(=O)Cc1cccnc1F 1458a_100000070787_100000099810 [0,1,0,0,0,1|2,0,0]=4 979 B11R1.86 CC(=O)Cc1ccncc1C 1458a_100000070787_100020672808 [0,1,0,0,0,1|2,0,0]=4 980 B11R1.86 CC(=O)Cc1ccncc1Cl 1458a_100000070787_100000763264 [0,1,0,0,0,1|2,0,0]=4 981 B11R1.86 CC(=O)Cc1cnccc1C 1458a_100000070787_100000690890 [0,1,0,0,0,1|2,0,0]=4 982 B11R1.86 CC(=O)Cc1ncccc1Br 1458a_100000070787_100025702911 [0,1,0,0,0,1|2,0,0]=4 983 B11R1.86 CC(=O)Cc1ncccc1Br 1458a_200012357574_200000210301 [0,1,0,0,0,1|2,0,0]=4 984 B11R1.86 CC(=O)Cc1ncccc1C 1458a_100000070787_100000696600 [0,1,0,0,0,1|2,0,0]=4 985 B11R1.86 CC(=O)Cc1ncccc1C 1458a_200000722269_200000210301 [0,1,0,0,0,1|2,0,0]=4 986 B11R1.86 CC(=O)Cc1ncccc1Cl 1458a_100000070787_100000099807 [0,1,0,0,0,1|2,0,0]=4 987 B11R1.86 CC(=O)Cc1ncccc1Cl 1458a_100011998755_200000210301 [0,1,0,0,0,1|2,0,0]=4 988 B11R1.86 CC(=O)Cc1ncccc1F 1458a_100000070787_100000104219 [0,1,0,0,0,1|2,0,0]=4 989 B11R1.86 CC(=O)Cc1ncccc1O 1458a_100000070787_200020655725 [0,1,0,0,0,1|2,0,0]=4 990 B11R1.86 CC(=O)Cn1ccccc1=O 1458a_100000189665_200000210301 [0,1,0,0,0,1|2,0,0]=4 991 B11R1.86 CC(=O)Nc1ccccc1Br 11a_100000210017_100015343762 [0,1,0,0,0,1|1,0,0]=3 992 B11R1.86 CC(=O)Nc1ccccc1Br 1626a_100000210017_100015343762 [0,1,0,0,0,1|1,0,0]=3 993 B11R1.86 CC(=O)Nc1ccccc1C 11a_100015192222_100015343762 [0,1,0,0,0,1|1,0,0]=3 994 B11R1.86 CC(=O)Nc1ccccc1C 1626a_100015192222_100015343762 [0,1,0,0,0,1|1,0,0]=3 995 B11R1.86 CC(=O)Nc1ccccc1C 22a_100015192222_100000070787 [0,1,0,0,0,1|1,0,0]=3 996 B11R1.86 CC(=O)Nc1ccccc1C 527a_100015192222_100103153847 [0,1,0,0,0,1|1,0,0]=3 997 B11R1.86 CC(=O)Nc1ccccc1Cl 11a_100000185783_100015343762 [0,1,0,0,0,1|1,0,0]=3 998 B11R1.86 CC(=O)Nc1ccccc1Cl 1626a_100000185783_100015343762 [0,1,0,0,0,1|1,0,0]=3 999 B11R1.86 CC(=O)Nc1ccccc1Cl 22a_100000185783_100000070787 [0,1,0,0,0,1|1,0,0]=3 1000 B11R1.86 CC(=O)Nc1ccccc1Cl 527a_100000185783_100103153847 [0,1,0,0,0,1|1,0,0]=3 1001 B11R1.86 CC(=O)Nc1ccccc1F 11a_100000210422_100015343762 [0,1,0,0,0,1|1,0,0]=3 1002 B11R1.86 CC(=O)Nc1ccccc1F 1626a_100000210422_100015343762 [0,1,0,0,0,1|1,0,0]=3 1003 B11R1.86 CC(=O)Nc1ccccc1F 22a_100000210422_100000070787 [0,1,0,0,0,1|1,0,0]=3 1004 B11R1.86 CC(=O)Nc1ccccc1F 527a_100000210422_100103153847 [0,1,0,0,0,1|1,0,0]=3 1005 B11R1.86 CC(=O)Nc1ccccc1I 11a_100000210053_100015343762 [0,1,0,0,0,1|1,0,0]=3 1006 B11R1.86 CC(=O)Nc1ccccc1I 1626a_100000210053_100015343762 [0,1,0,0,0,1|1,0,0]=3 1007 B11R1.86 CC(=O)Nc1ccccc1O 22a_100000185747_100000070787 [0,1,0,0,0,1|1,0,0]=3 1008 B11R1.86 CC(=O)Nc1ccccc1O 271570a_203496583355_100000153524 [0,1,0,0,0,1|1,0,0]=3 1009 B11R1.86 CC(=O)Nc1ccccc1O 527a_100000185747_100103153847 [0,1,0,0,0,1|1,0,0]=3 1010 B11R1.86 CC(=O)Nc1ccncc1O 271570a_203496583355_100016132053 [0,1,0,0,0,1|2,0,0]=4 1011 B11R1.86 CC(=O)Oc1ccccc1O 271570a_203496583355_100000051690 [0,1,0,0,0,1|1,0,0]=3 1012 B11R1.86 CC(=O)Oc1cccnc1O 271570a_203496583355_200009815371 [0,1,0,0,0,1|2,0,0]=4 1013 B11R1.86 Cc1ccccc1CC(=O)[13CH3] 1458a_100000212180_200025704644 [0,1,0,0,0,1|1,0,0]=3 1014 B11R1.86 Cc1cccnc1CC(=O)[13CH3] 1458a_200000722269_200025704644 [0,1,0,0,0,1|2,0,0]=4 1015 B11R1.86 NC(=O)Cc1ccccc1O 271570a_203496583355_200009814924 [0,1,0,0,0,1|1,0,0]=3 1016 B11R1.86 NC(=O)Nc1ccccc1O 271570a_203496583355_100000742221 [0,1,0,0,0,1|1,0,0]=3 1017 B11R1.86 [13CH3]C(=O)Cc1ccccc1Br 1458a_100000751119_200025704644 [0,1,0,0,0,1|1,0,0]=3 1018 B11R1.86 [13CH3]C(=O)Cc1ccccc1Cl 1458a_100000183793_200025704644 [0,1,0,0,0,1|1,0,0]=3 1019 B11R1.86 [13CH3]C(=O)Cc1ccccc1F 1458a_100000212012_200025704644 [0,1,0,0,0,1|1,0,0]=3 1020 B11R1.86 [13CH3]C(=O)Cc1ccccc1I 1458a_100000036491_200025704644 [0,1,0,0,0,1|1,0,0]=3 1021 B11R1.86 [13CH3]C(=O)Cc1ccccc1O 1458a_100000743006_200025704644 [0,1,0,0,0,1|1,0,0]=3 1022 B11R1.86 [13CH3]C(=O)Cc1cccnc1Cl 1458a_100000093521_200025704644 [0,1,0,0,0,1|2,0,0]=4 1023 B11R1.86 [13CH3]C(=O)Cc1ncccc1Br 1458a_200012357574_200025704644 [0,1,0,0,0,1|2,0,0]=4 1024 B11R1.86 [13CH3]C(=O)Cc1ncccc1Cl 1458a_100011998755_200025704644 [0,1,0,0,0,1|2,0,0]=4 1025 B11R1.86 [13CH3]C(=O)Cn1ccccc1=O 1458a_100000189665_200025704644 [0,1,0,0,0,1|2,0,0]=4 1026 B11R1.157 CC(=Cc1cccc(c1)Br)C 271570a_100102525489_100000691529 [0,1,0,0,0,1|2,0,0]=4 1027 B11R1.157 CC(=Cc1cccc(c1)C)C 271570a_100102525489_100011215228 [0,1,0,0,0,1|2,0,0]=4 1028 B11R1.157 CC(=Cc1cccc(c1)Cl)C 271570a_100102525489_100000699651 [0,1,0,0,0,1|2,0,0]=4 1029 B11R1.157 CC(=Cc1cccc(c1)F)C 271570a_100102525489_100000685547 [0,1,0,0,0,1|2,0,0]=4 1030 B11R1.157 CC(=Cc1cccc(c1)N)C 271570a_100102525489_100000210019 [0,1,0,0,0,1|2,0,0]=4 1031 B11R1.157 CC(=Cc1cccc(c1)O)C 271570a_100102525489_100000211634 [0,1,0,0,0,1|2,0,0]=4 1032 B11R1.157 CC(=Cc1cccc(c1)[S])C 271570a_100102525489_114929384022 [0,1,0,0,0,1|2,0,0]=4 1033 B11R1.157 CC(=O)Cc1cc(ccn1)Br 1458a_100000070787_100010173614 [0,1,0,0,0,1|2,0,0]=4 1034 B11R1.157 CC(=O)Cc1cc(ccn1)C 1458a_100000070787_100000718516 [0,1,0,0,0,1|2,0,0]=4 1035 B11R1.157 CC(=O)Cc1cc(ccn1)Cl 1458a_100000070787_100016988179 [0,1,0,0,0,1|2,0,0]=4 1036 B11R1.157 CC(=O)Cc1cccc(c1)Br 1458a_100000070787_100000211773 [0,1,0,0,0,1|1,0,0]=3 1037 B11R1.157 CC(=O)Cc1cccc(c1)Br 1458a_100000747190_200000210301 [0,1,0,0,0,1|1,0,0]=3 1038 B11R1.157 CC(=O)Cc1cccc(c1)C 1458a_100000070787_100000211840 [0,1,0,0,0,1|1,0,0]=3 1039 B11R1.157 CC(=O)Cc1cccc(c1)C 1458a_100011206899_200000210301 [0,1,0,0,0,1|1,0,0]=3 1040 B11R1.157 CC(=O)Cc1cccc(c1)Cl 1458a_100000070787_100000181238 [0,1,0,0,0,1|1,0,0]=3 1041 B11R1.157 CC(=O)Cc1cccc(c1)Cl 1458a_100000749307_200000210301 [0,1,0,0,0,1|1,0,0]=3 1042 B11R1.157 CC(=O)Cc1cccc(c1)F 1458a_100000070787_100000230114 [0,1,0,0,0,1|1,0,0]=3 1043 B11R1.157 CC(=O)Cc1cccc(c1)F 1458a_100000211661_200000210301 [0,1,0,0,0,1|1,0,0]=3 1044 B11R1.157 CC(=O)Cc1cccc(c1)I 1458a_100000070787_100011218688 [0,1,0,0,0,1|1,0,0]=3 1045 B11R1.157 CC(=O)Cc1cccc(c1)I 1458a_100000238430_200000210301 [0,1,0,0,0,1|1,0,0]=3 1046 B11R1.157 CC(=O)Cc1cccc(c1)O 1458a_100000070787_100011660834 [0,1,0,0,0,1|1,0,0]=3 1047 B11R1.157 CC(=O)Cc1cccc(c1)O 1458a_100000745134_200000210301 [0,1,0,0,0,1|1,0,0]=3 1048 B11R1.157 CC(=O)Cc1cccc(c1)O 271570a_203496583355_100000689217 [0,1,0,0,0,1|1,0,0]=3 1049 B11R1.157 CC(=O)Cc1cccc(n1)Br 1458a_100000070787_100009889011 [0,1,0,0,0,1|2,0,0]=4 1050 B11R1.157 CC(=O)Cc1cccc(n1)Br 1458a_100010201708_200000210301 [0,1,0,0,0,1|2,0,0]=4 1051 B11R1.157 CC(=O)Cc1cccc(n1)C 1458a_100000070787_100000757606 [0,1,0,0,0,1|2,0,0]=4 1052 B11R1.157 CC(=O)Cc1cccc(n1)C 1458a_100012001110_200000210301 [0,1,0,0,0,1|2,0,0]=4 1053 B11R1.157 CC(=O)Cc1cccc(n1)Cl 1458a_100000070787_100000086093 [0,1,0,0,0,1|2,0,0]=4 1054 B11R1.157 CC(=O)Cc1cccc(n1)Cl 1458a_100000090259_200000210301 [0,1,0,0,0,1|2,0,0]=4 1055 B11R1.157 CC(=O)Cc1cccc(n1)F 1458a_100000070787_100009819644 [0,1,0,0,0,1|2,0,0]=4 1056 B11R1.157 CC(=O)Cc1cccc(n1)F 1458a_100000096803_200000210301 [0,1,0,0,0,1|2,0,0]=4 1057 B11R1.157 CC(=O)Cc1ccnc(c1)Br 1458a_100000070787_100010243470 [0,1,0,0,0,1|2,0,0]=4 1058 B11R1.157 CC(=O)Cc1ccnc(c1)Br 1458a_100010126891_200000210301 [0,1,0,0,0,1|2,0,0]=4 1059 B11R1.157 CC(=O)Cc1ccnc(c1)C 1458a_100000070787_200020672517 [0,1,0,0,0,1|2,0,0]=4 1060 B11R1.157 CC(=O)Cc1ccnc(c1)Cl 1458a_100000070787_100000764220 [0,1,0,0,0,1|2,0,0]=4 1061 B11R1.157 CC(=O)Cc1cncc(c1)Br 1458a_100000070787_100011740620 [0,1,0,0,0,1|2,0,0]=4 1062 B11R1.157 CC(=O)Cc1cncc(c1)Br 1458a_100000239331_200000210301 [0,1,0,0,0,1|2,0,0]=4 1063 B11R1.157 CC(=O)Cc1cncc(c1)C 1458a_100000070787_100000716715 [0,1,0,0,0,1|2,0,0]=4 1064 B11R1.157 CC(=O)Cc1cncc(c1)Cl 1458a_100000070787_100016992070 [0,1,0,0,0,1|2,0,0]=4 1065 B11R1.157 CC(=O)Cc1cncc(c1)F 1458a_100000070787_100000725299 [0,1,0,0,0,1|2,0,0]=4 1066 B11R1.157 CC(=O)Cc1cncc(c1)F 1458a_100011667516_200000210301 [0,1,0,0,0,1|2,0,0]=4 1067 B11R1.157 CC(=O)Nc1cc(ccn1)O 271570a_203496583355_100012362434 [0,1,0,0,0,1|2,0,0]=4 1068 B11R1.157 CC(=O)Nc1cccc(c1)Br 11a_100000210019_100015343762 [0,1,0,0,0,1|1,0,0]=3 1069 B11R1.157 CC(=O)Nc1cccc(c1)Br 1626a_100000210019_100015343762 [0,1,0,0,0,1|1,0,0]=3 1070 B11R1.157 CC(=O)Nc1cccc(c1)Br 22a_100000210019_100000070787 [0,1,0,0,0,1|1,0,0]=3 1071 B11R1.157 CC(=O)Nc1cccc(c1)Br 527a_100000210019_100103153847 [0,1,0,0,0,1|1,0,0]=3 1072 B11R1.157 CC(=O)Nc1cccc(c1)C 11a_100000188690_100015343762 [0,1,0,0,0,1|1,0,0]=3 1073 B11R1.157 CC(=O)Nc1cccc(c1)C 1626a_100000188690_100015343762 [0,1,0,0,0,1|1,0,0]=3 1074 B11R1.157 CC(=O)Nc1cccc(c1)C 22a_100000188690_100000070787 [0,1,0,0,0,1|1,0,0]=3 1075 B11R1.157 CC(=O)Nc1cccc(c1)C 527a_100000188690_100103153847 [0,1,0,0,0,1|1,0,0]=3 1076 B11R1.157 CC(=O)Nc1cccc(c1)Cl 11a_100000185859_100015343762 [0,1,0,0,0,1|1,0,0]=3 1077 B11R1.157 CC(=O)Nc1cccc(c1)Cl 1626a_100000185859_100015343762 [0,1,0,0,0,1|1,0,0]=3 1078 B11R1.157 CC(=O)Nc1cccc(c1)Cl 22a_100000185859_100000070787 [0,1,0,0,0,1|1,0,0]=3 1079 B11R1.157 CC(=O)Nc1cccc(c1)F 11a_100000210047_100015343762 [0,1,0,0,0,1|1,0,0]=3 1080 B11R1.157 CC(=O)Nc1cccc(c1)F 1626a_100000210047_100015343762 [0,1,0,0,0,1|1,0,0]=3 1081 B11R1.157 CC(=O)Nc1cccc(c1)F 22a_100000210047_100000070787 [0,1,0,0,0,1|1,0,0]=3 1082 B11R1.157 CC(=O)Nc1cccc(c1)F 527a_100000210047_100103153847 [0,1,0,0,0,1|1,0,0]=3 1083 B11R1.157 CC(=O)Nc1cccc(c1)I 11a_100000211102_100015343762 [0,1,0,0,0,1|1,0,0]=3 1084 B11R1.157 CC(=O)Nc1cccc(c1)I 1626a_100000211102_100015343762 [0,1,0,0,0,1|1,0,0]=3 1085 B11R1.157 CC(=O)Nc1cccc(c1)I 22a_100000211102_100000070787 [0,1,0,0,0,1|1,0,0]=3 1086 B11R1.157 CC(=O)Nc1cccc(c1)I 527a_100000211102_100103153847 [0,1,0,0,0,1|1,0,0]=3 1087 B11R1.157 CC(=O)Nc1cccc(c1)O 1626a_100000210217_100015343762 [0,1,0,0,0,1|1,0,0]=3 1088 B11R1.157 CC(=O)Nc1cccc(c1)O 22a_100000210217_100000070787 [0,1,0,0,0,1|1,0,0]=3 1089 B11R1.157 CC(=O)Nc1cccc(c1)O 271570a_203496583355_100000153616 [0,1,0,0,0,1|1,0,0]=3 1090 B11R1.157 CC(=O)Nc1cccc(c1)O 527a_100000210217_100103153847 [0,1,0,0,0,1|1,0,0]=3 1091 B11R1.157 CC(=O)Nc1cccc(n1)O 271570a_203496583355_200011307899 [0,1,0,0,0,1|2,0,0]=4 1092 B11R1.157 CC(=O)Nc1ccnc(c1)O 271570a_203496583355_100000238608 [0,1,0,0,0,1|2,0,0]=4 1093 B11R1.157 CC(=O)Nc1cncc(c1)O 271570a_203496583355_100012351681 [0,1,0,0,0,1|2,0,0]=4 1094 B11R1.157 CC(=O)Oc1cccc(c1)O 271570a_203496583355_100009811612 [0,1,0,0,0,1|1,0,0]=3 1095 B11R1.157 Cc1cccc(c1)CC(=O)[13CH3] 1458a_100011206899_200025704644 [0,1,0,0,0,1|1,0,0]=3 1096 B11R1.157 Cc1cccc(n1)CC(=O)[13CH3] 1458a_100012001110_200025704644 [0,1,0,0,0,1|2,0,0]=4 1097 B11R1.157 NC(=O)Cc1cccc(c1)O 271570a_203496583355_100011586816 [0,1,0,0,0,1|1,0,0]=3 1098 B11R1.157 NC(=O)Nc1cccc(c1)O 271570a_203496583355_100000238923 [0,1,0,0,0,1|1,0,0]=3 1099 B11R1.157 [13CH3]C(=O)Cc1cccc(c1)Br 1458a_100000747190_200025704644 [0,1,0,0,0,1|1,0,0]=3 1100 B11R1.157 [13CH3]C(=O)Cc1cccc(c1)Cl 1458a_100000749307_200025704644 [0,1,0,0,0,1|1,0,0]=3 1101 B11R1.157 [13CH3]C(=O)Cc1cccc(c1)F 1458a_100000211661_200025704644 [0,1,0,0,0,1|1,0,0]=3 1102 B11R1.157 [13CH3]C(=O)Cc1cccc(c1)I 1458a_100000238430_200025704644 [0,1,0,0,0,1|1,0,0]=3 1103 B11R1.157 [13CH3]C(=O)Cc1cccc(c1)O 1458a_100000745134_200025704644 [0,1,0,0,0,1|1,0,0]=3 1104 B11R1.157 [13CH3]C(=O)Cc1cccc(n1)Br 1458a_100010201708_200025704644 [0,1,0,0,0,1|2,0,0]=4 1105 B11R1.157 [13CH3]C(=O)Cc1cccc(n1)Cl 1458a_100000090259_200025704644 [0,1,0,0,0,1|2,0,0]=4 1106 B11R1.157 [13CH3]C(=O)Cc1cccc(n1)F 1458a_100000096803_200025704644 [0,1,0,0,0,1|2,0,0]=4 1107 B11R1.157 [13CH3]C(=O)Cc1ccnc(c1)Br 1458a_100010126891_200025704644 [0,1,0,0,0,1|2,0,0]=4 1108 B11R1.157 [13CH3]C(=O)Cc1cncc(c1)Br 1458a_100000239331_200025704644 [0,1,0,0,0,1|2,0,0]=4 1109 B11R1.157 [13CH3]C(=O)Cc1cncc(c1)F 1458a_100011667516_200025704644 [0,1,0,0,0,1|2,0,0]=4 1110 B11R1.3 C#Cc1ccc(cc1)C(=O)C 1458a_100011217615_200000210301 [0,2,0,0,0,0|1,0,0]=3 1111 B11R1.3 C#Cc1ccc(cc1)C(=O)[13CH3] 1458a_100011217615_200025704644 [0,2,0,0,0,0|1,0,0]=3 1112 B11R1.3 C=C(C)c1ccc(cc1)C#N 271570a_100000694244_100000179745 [0,2,0,0,0,0|2,0,0]=4 1113 B11R1.3 C=C(C)c1ccc(cc1)C=O 271570a_100000694244_100000186029 [0,2,0,0,0,0|2,0,0]=4 1114 B11R1.3 C=C(C)c1ccc(cc1)CC 271570a_100000694244_100011215824 [0,2,0,0,0,0|2,0,0]=4 1115 B11R1.3 C=C(C)c1ccc(cc1)CF 271570a_100000694244_100010268989 [0,2,0,0,0,0|2,0,0]=4 1116 B11R1.3 C=C(C)c1ccc(cc1)CN 271570a_100000694244_100016989417 [0,2,0,0,0,0|2,0,0]=4 1117 B11R1.3 C=C(C)c1ccc(cc1)CO 271570a_100000694244_100000690907 [0,2,0,0,0,0|2,0,0]=4 1118 B11R1.3 C=C(C)c1ccc(cc1)NC 271570a_100000694244_100000219623 [0,2,0,0,0,0|2,0,0]=4 1119 B11R1.3 C=C(C)c1ccc(cc1)NN 271570a_100000694244_100016988836 [0,2,0,0,0,0|2,0,0]=4 1120 B11R1.3 C=C(C)c1ccc(cc1)OC 271570a_100000694244_100000171711 [0,2,0,0,0,0|2,0,0]=4 1121 B11R1.3 C=C(C)c1ccc(cc1)OC 34a_100009880102_200000210301 [0,2,0,0,0,0|2,0,0]=4 1122 B11R1.3 C=C(C)c1ccc(cc1)OC 7a_100009880102_200000210301 [0,2,0,0,0,0|2,0,0]=4 1123 B11R1.3 C=C(C)c1ccc(cc1)O[13CH3] 34a_100009880102_200025704644 [0,2,0,0,0,0|2,0,0]=4 1124 B11R1.3 C=C(C)c1ccc(cc1)O[13CH3] 7a_100009880102_200025704644 [0,2,0,0,0,0|2,0,0]=4 1125 B11R1.3 C=C(C)c1ccc(cc1)SC 271570a_100000694244_100011263217 [0,2,0,0,0,0|2,0,0]=4 1126 B11R1.3 C=C(C)c1ccc(cc1)SC 62a_100000185454_200000210301 [0,2,0,0,0,0|2,0,0]=4 1127 B11R1.3 C=C(C)c1ccc(cc1)SC 62a_200000210301_100000185454 [0,2,0,0,0,0|2,0,0]=4 1128 B11R1.3 C=C(C)c1ccc(cc1)S[13CH3] 62a_100000185454_200025704644 [0,2,0,0,0,0|2,0,0]=4 1129 B11R1.3 C=C(C)c1ccc(cc1)S[13CH3] 62a_200025704644_100000185454 [0,2,0,0,0,0|2,0,0]=4 1130 B11R1.3 C=Cc1ccc(cc1)B(O)O 271570a_100011290941_100000754493 [0,2,0,0,0,0|1,0,1]=4 1131 B11R1.3 C=Cc1ccc(cc1)C(=C)C 271570a_100011290941_100000185454 [0,2,0,0,0,0|2,0,0]=4 1132 B11R1.3 C=Cc1ccc(cc1)C(=O)C 1458a_100000687532_200000210301 [0,2,0,0,0,0|1,0,0]=3 1133 B11R1.3 C=Cc1ccc(cc1)C(=O)C 271570a_100011290941_100000185465 [0,2,0,0,0,0|1,0,0]=3 1134 B11R1.3 C=Cc1ccc(cc1)C(=O)N 271570a_100011290941_100000162191 [0,2,0,0,0,0|1,0,0]=3 1135 B11R1.3 C=Cc1ccc(cc1)C(=O)[13CH3] 1458a_100000687532_200025704644 [0,2,0,0,0,0|1,0,0]=3 1136 B11R1.3 C=Cc1ccc(cc1)C(C)O 271570a_100011290941_100000745893 [0,2,0,0,0,0|1,0,1]=4 1137 B11R1.3 C=Cc1ccc(cc1)S(=O)C 271570a_100011290941_100009816266 [0,2,0,0,0,0|2,0,0]=4 1138 B11R1.3 C=Cc1ccc(cn1)C(=O)C 271570a_100011290941_100000684857 [0,2,0,0,0,0|2,0,0]=4 1139 B11R1.3 C=Cc1ccc(cn1)C(=O)N 271570a_100011290941_100000162237 [0,2,0,0,0,0|2,0,0]=4 1140 B11R1.3 C=Cc1ccc(nc1)C(=O)C 271570a_100011290941_100000686046 [0,2,0,0,0,0|2,0,0]=4 1141 B11R1.3 C=Cc1ccc(nc1)C(=O)N 271570a_100011290941_100011219284 [0,2,0,0,0,0|2,0,0]=4 1142 B11R1.3 CC(=O)c1ccc(cc1)C#N 1458a_100000210717_200000210301 [0,2,0,0,0,0|1,0,0]=3 1143 B11R1.3 CC(=O)c1ccc(cc1)CO 1458a_100000183892_200000210301 [0,2,0,0,0,0|1,0,0]=3 1144 B11R1.3 CC(=O)c1ccc(cc1)O[13CH3] 34a_100000185113_200025704644 [0,2,0,0,0,0|1,0,0]=3 1145 B11R1.3 CC(=O)c1ccc(cc1)O[13CH3] 7a_100000185113_200025704644 [0,2,0,0,0,0|1,0,0]=3 1146 B11R1.3 CC(=O)c1ccc(cc1)S[13CH3] 62a_100000185465_200025704644 [0,2,0,0,0,0|1,0,0]=3 1147 B11R1.3 CC(=O)c1ccc(cc1)S[13CH3] 62a_200025704644_100000185465 [0,2,0,0,0,0|1,0,0]=3 1148 B11R1.3 CC(=O)c1ccc(cn1)O[13CH3] 34a_100012001710_200025704644 [0,2,0,0,0,0|2,0,0]=4 1149 B11R1.3 CC(=O)c1ccc(cn1)O[13CH3] 7a_100012001710_200025704644 [0,2,0,0,0,0|2,0,0]=4 1150 B11R1.3 CC(=O)c1ccc(cn1)S[13CH3] 62a_100000686046_200025704644 [0,2,0,0,0,0|2,0,0]=4 1151 B11R1.3 CC(=O)c1ccc(cn1)S[13CH3] 62a_200025704644_100000686046 [0,2,0,0,0,0|2,0,0]=4 1152 B11R1.3 CC(=O)c1ccc(nc1)S[13CH3] 62a_100000684857_200025704644 [0,2,0,0,0,0|2,0,0]=4 1153 B11R1.3 CC(=O)c1ccc(nc1)S[13CH3] 62a_200025704644_100000684857 [0,2,0,0,0,0|2,0,0]=4 1154 B11R1.3 CC(O)c1ccc(cc1)N[13CH3] 2230a_100011216399_200025704644 [0,2,0,0,0,0|1,0,1]=4 1155 B11R1.3 CC(O)c1ccc(cc1)N[13CH3] 34a_100011216399_200025704644 [0,2,0,0,0,0|1,0,1]=4 1156 B11R1.3 CC(O)c1ccc(cc1)O[13CH3] 34a_100000754508_200025704644 [0,2,0,0,0,0|1,0,1]=4 1157 B11R1.3 CC(O)c1ccc(cc1)O[13CH3] 7a_100000754508_200025704644 [0,2,0,0,0,0|1,0,1]=4 1158 B11R1.3 CC(O)c1ccc(cc1)S[13CH3] 62a_100000745893_200025704644 [0,2,0,0,0,0|1,0,1]=4 1159 B11R1.3 CC(O)c1ccc(cc1)S[13CH3] 62a_200025704644_100000745893 [0,2,0,0,0,0|1,0,1]=4 1160 B11R1.3 CCc1ccc(cc1)C(=O)C 1458a_100000211226_200000210301 [0,2,0,0,0,0|1,0,0]=3 1161 B11R1.3 CCc1ccc(cc1)C(=O)[13CH3] 1458a_100000211226_200025704644 [0,2,0,0,0,0|1,0,0]=3 1162 B11R1.3 CNc1ccc(cc1)C(=O)N 27a_100102657272_100000162191 [0,2,0,0,0,0|1,0,0]=3 1163 B11R1.3 CNc1ccc(cc1)C(=O)N 34a_100000210537_200000210301 [0,2,0,0,0,0|1,0,0]=3 1164 B11R1.3 CNc1ccc(cc1)C(C)O 2230a_100011216399_200000210301 [0,2,0,0,0,0|1,0,1]=4 1165 B11R1.3 CNc1ccc(cc1)C(C)O 34a_100011216399_200000210301 [0,2,0,0,0,0|1,0,1]=4 1166 B11R1.3 CNc1ccc(cc1)[N+](=O)[O-] 2230a_100015195142_200000210301 [0,2,0,0,0,0|1,0,1]=4 1167 B11R1.3 CNc1ccc(cc1)[N+](=O)[O-] 34a_100015195142_200000210301 [0,2,0,0,0,0|1,0,1]=4 1168 B11R1.3 CNc1ccc(cn1)C(=O)C 27a_100102657272_100000690552 [0,2,0,0,0,0|2,0,0]=4 1169 B11R1.3 CNc1ccc(cn1)C(=O)N 27a_100102657272_100000162237 [0,2,0,0,0,0|2,0,0]=4 1170 B11R1.3 COc1ccc(cc1)C(=O)C 1458a_100000184203_200000210301 [0,2,0,0,0,0|1,0,0]=3 1171 B11R1.3 COc1ccc(cc1)C(=O)C 34a_100000185113_200000210301 [0,2,0,0,0,0|1,0,0]=3 1172 B11R1.3 COc1ccc(cc1)C(=O)C 7a_100000185113_200000210301 [0,2,0,0,0,0|1,0,0]=3 1173 B11R1.3 COc1ccc(cc1)C(=O)N 34a_100000746352_200000210301 [0,2,0,0,0,0|1,0,0]=3 1174 B11R1.3 COc1ccc(cc1)C(=O)N 7a_100000746352_200000210301 [0,2,0,0,0,0|1,0,0]=3 1175 B11R1.3 COc1ccc(cc1)C(=O)[13CH3] 1458a_100000184203_200025704644 [0,2,0,0,0,0|1,0,0]=3 1176 B11R1.3 COc1ccc(cc1)C(C)O 34a_100000754508_200000210301 [0,2,0,0,0,0|1,0,1]=4 1177 B11R1.3 COc1ccc(cc1)C(C)O 7a_100000754508_200000210301 [0,2,0,0,0,0|1,0,1]=4 1178 B11R1.3 COc1ccc(cc1)S(=O)C 34a_200000064373_200000210301 [0,2,0,0,0,0|2,0,0]=4 1179 B11R1.3 COc1ccc(cc1)S(=O)C 7a_200000064373_200000210301 [0,2,0,0,0,0|2,0,0]=4 1180 B11R1.3 COc1ccc(cc1)[N+](=O)[O-] 34a_100000185810_200000210301 [0,2,0,0,0,0|1,0,1]=4 1181 B11R1.3 COc1ccc(cc1)[N+](=O)[O-] 7a_100000185810_200000210301 [0,2,0,0,0,0|1,0,1]=4 1182 B11R1.3 COc1ccc(nc1)C(=O)C 34a_100012001710_200000210301 [0,2,0,0,0,0|2,0,0]=4 1183 B11R1.3 COc1ccc(nc1)C(=O)C 7a_100012001710_200000210301 [0,2,0,0,0,0|2,0,0]=4 1184 B11R1.3 CS(=O)c1ccc(cc1)O[13CH3] 34a_200000064373_200025704644 [0,2,0,0,0,0|2,0,0]=4 1185 B11R1.3 CS(=O)c1ccc(cc1)O[13CH3] 7a_200000064373_200025704644 [0,2,0,0,0,0|2,0,0]=4 1186 B11R1.3 CS(=O)c1ccc(cc1)S[13CH3] 62a_100009816266_200025704644 [0,2,0,0,0,0|2,0,0]=4 1187 B11R1.3 CSc1ccc(cc1)B(O)O 62a_100000754493_200000210301 [0,2,0,0,0,0|1,0,1]=4 1188 B11R1.3 CSc1ccc(cc1)B(O)O 62a_200000210301_100000754493 [0,2,0,0,0,0|1,0,1]=4 1189 B11R1.3 CSc1ccc(cc1)C(=O)C 1458a_100000189692_200000210301 [0,2,0,0,0,0|1,0,0]=3 1190 B11R1.3 CSc1ccc(cc1)C(=O)C 62a_100000185465_200000210301 [0,2,0,0,0,0|1,0,0]=3 1191 B11R1.3 CSc1ccc(cc1)C(=O)C 62a_200000210301_100000185465 [0,2,0,0,0,0|1,0,0]=3 1192 B11R1.3 CSc1ccc(cc1)C(=O)N 62a_100000162191_200000210301 [0,2,0,0,0,0|1,0,0]=3 1193 B11R1.3 CSc1ccc(cc1)C(=O)N 62a_200000210301_100000162191 [0,2,0,0,0,0|1,0,0]=3 1194 B11R1.3 CSc1ccc(cc1)C(=O)[13CH3] 1458a_100000189692_200025704644 [0,2,0,0,0,0|1,0,0]=3 1195 B11R1.3 CSc1ccc(cc1)C(C)O 62a_100000745893_200000210301 [0,2,0,0,0,0|1,0,1]=4 1196 B11R1.3 CSc1ccc(cc1)C(C)O 62a_200000210301_100000745893 [0,2,0,0,0,0|1,0,1]=4 1197 B11R1.3 CSc1ccc(cc1)S(=O)C 62a_100009816266_200000210301 [0,2,0,0,0,0|2,0,0]=4 1198 B11R1.3 CSc1ccc(cn1)C(=O)C 62a_100000684857_200000210301 [0,2,0,0,0,0|2,0,0]=4 1199 B11R1.3 CSc1ccc(cn1)C(=O)C 62a_200000210301_100000684857 [0,2,0,0,0,0|2,0,0]=4 1200 B11R1.3 CSc1ccc(cn1)C(=O)N 62a_100000162237_200000210301 [0,2,0,0,0,0|2,0,0]=4 1201 B11R1.3 CSc1ccc(cn1)C(=O)N 62a_200000210301_100000162237 [0,2,0,0,0,0|2,0,0]=4 1202 B11R1.3 CSc1ccc(nc1)C(=O)C 62a_100000686046_200000210301 [0,2,0,0,0,0|2,0,0]=4 1203 B11R1.3 CSc1ccc(nc1)C(=O)C 62a_200000210301_100000686046 [0,2,0,0,0,0|2,0,0]=4 1204 B11R1.3 CSc1ccc(nc1)C(=O)N 62a_100011219284_200000210301 [0,2,0,0,0,0|2,0,0]=4 1205 B11R1.3 CSc1ccc(nc1)C(=O)N 62a_200000210301_100011219284 [0,2,0,0,0,0|2,0,0]=4 1206 B11R1.3 [13CH3]C(=O)c1ccc(cc1)C#N 1458a_100000210717_200025704644 [0,2,0,0,0,0|1,0,0]=3 1207 B11R1.3 [13CH3]C(=O)c1ccc(cc1)CO 1458a_100000183892_200025704644 [0,2,0,0,0,0|1,0,0]=3 1208 B11R1.3 [13CH3]Nc1ccc(cc1)C(=O)N 34a_100000210537_200025704644 [0,2,0,0,0,0|1,0,0]=3 1209 B11R1.3 [13CH3]Nc1ccc(cc1)[N+](=O)[O-] 2230a_100015195142_200025704644 [0,2,0,0,0,0|1,0,1]=4 1210 B11R1.3 [13CH3]Nc1ccc(cc1)[N+](=O)[O-] 34a_100015195142_200025704644 [0,2,0,0,0,0|1,0,1]=4 1211 B11R1.3 [13CH3]Oc1ccc(cc1)C(=O)N 34a_100000746352_200025704644 [0,2,0,0,0,0|1,0,0]=3 1212 B11R1.3 [13CH3]Oc1ccc(cc1)C(=O)N 7a_100000746352_200025704644 [0,2,0,0,0,0|1,0,0]=3 1213 B11R1.3 [13CH3]Oc1ccc(cc1)[N+](=O)[O-] 34a_100000185810_200025704644 [0,2,0,0,0,0|1,0,1]=4 1214 B11R1.3 [13CH3]Oc1ccc(cc1)[N+](=O)[O-] 7a_100000185810_200025704644 [0,2,0,0,0,0|1,0,1]=4 1215 B11R1.3 [13CH3]Sc1ccc(cc1)B(O)O 62a_100000754493_200025704644 [0,2,0,0,0,0|1,0,1]=4 1216 B11R1.3 [13CH3]Sc1ccc(cc1)B(O)O 62a_200025704644_100000754493 [0,2,0,0,0,0|1,0,1]=4 1217 B11R1.3 [13CH3]Sc1ccc(cc1)C(=O)N 62a_100000162191_200025704644 [0,2,0,0,0,0|1,0,0]=3 1218 B11R1.3 [13CH3]Sc1ccc(cc1)C(=O)N 62a_200025704644_100000162191 [0,2,0,0,0,0|1,0,0]=3 1219 B11R1.3 [13CH3]Sc1ccc(cn1)C(=O)N 62a_100000162237_200025704644 [0,2,0,0,0,0|2,0,0]=4 1220 B11R1.3 [13CH3]Sc1ccc(cn1)C(=O)N 62a_200025704644_100000162237 [0,2,0,0,0,0|2,0,0]=4 1221 B11R1.3 [13CH3]Sc1ccc(nc1)C(=O)N 62a_100011219284_200025704644 [0,2,0,0,0,0|2,0,0]=4 1222 B11R1.3 [13CH3]Sc1ccc(nc1)C(=O)N 62a_200025704644_100011219284 [0,2,0,0,0,0|2,0,0]=4 1223 B11R1.19 CC(C)(O)c1ccc(cc1)O 271570a_203496583355_100000753367 [0,2,0,0,0,0|1,0,1]=4 1224 B11R1.19 CS(=O)(=O)c1ccc(cc1)O 271570a_203496583355_100000765142 [0,2,0,0,0,0|1,0,1]=4 1225 B11R1.19 NS(=O)(=O)c1ccc(cc1)O 271570a_203496583355_100000701559 [0,2,0,0,0,0|1,0,1]=4 1226 B11R1.21 C=C(C)c1ccc(c(c1)Br)Br 271570a_100000694244_100012356285 [0,2,0,0,0,0|2,0,0]=4 1227 B11R1.21 C=C(C)c1ccc(c(c1)Br)C 271570a_100000694244_100011847877 [0,2,0,0,0,0|2,0,0]=4 1228 B11R1.21 C=C(C)c1ccc(c(c1)Br)Cl 271570a_100000694244_100012353702 [0,2,0,0,0,0|2,0,0]=4 1229 B11R1.21 C=C(C)c1ccc(c(c1)Br)F 271570a_100000694244_100012047266 [0,2,0,0,0,0|2,0,0]=4 1230 B11R1.21 C=C(C)c1ccc(c(c1)Br)N 271570a_100000694244_100000750455 [0,2,0,0,0,0|2,0,0]=4 1231 B11R1.21 C=C(C)c1ccc(c(c1)Br)O 271570a_100000694244_100012361655 [0,2,0,0,0,0|2,0,0]=4 1232 B11R1.21 C=C(C)c1ccc(c(c1)C)Br 271570a_100000694244_100009813585 [0,2,0,0,0,0|2,0,0]=4 1233 B11R1.21 C=C(C)c1ccc(c(c1)C)C 271570a_100000694244_100011215607 [0,2,0,0,0,0|2,0,0]=4 1234 B11R1.21 C=C(C)c1ccc(c(c1)C)Cl 271570a_100000694244_100000049509 [0,2,0,0,0,0|2,0,0]=4 1235 B11R1.21 C=C(C)c1ccc(c(c1)C)F 271570a_100000694244_100011218330 [0,2,0,0,0,0|2,0,0]=4 1236 B11R1.21 C=C(C)c1ccc(c(c1)C)N 271570a_100000694244_100000211769 [0,2,0,0,0,0|2,0,0]=4 1237 B11R1.21 C=C(C)c1ccc(c(c1)C)O 271570a_100000694244_100000186361 [0,2,0,0,0,0|2,0,0]=4 1238 B11R1.21 C=C(C)c1ccc(c(c1)Cl)Br 271570a_100000694244_100012047281 [0,2,0,0,0,0|2,0,0]=4 1239 B11R1.21 C=C(C)c1ccc(c(c1)Cl)C 271570a_100000694244_100011216363 [0,2,0,0,0,0|2,0,0]=4 1240 B11R1.21 C=C(C)c1ccc(c(c1)Cl)Cl 271570a_100000694244_100011214914 [0,2,0,0,0,0|2,0,0]=4 1241 B11R1.21 C=C(C)c1ccc(c(c1)Cl)F 271570a_100000694244_100011215976 [0,2,0,0,0,0|2,0,0]=4 1242 B11R1.21 C=C(C)c1ccc(c(c1)Cl)N 271570a_100000694244_100011218065 [0,2,0,0,0,0|2,0,0]=4 1243 B11R1.21 C=C(C)c1ccc(c(c1)Cl)O 271570a_100000694244_100012360047 [0,2,0,0,0,0|2,0,0]=4 1244 B11R1.21 C=C(C)c1ccc(c(c1)F)Br 271570a_100000694244_100000685389 [0,2,0,0,0,0|2,0,0]=4 1245 B11R1.21 C=C(C)c1ccc(c(c1)F)C 271570a_100000694244_100000720648 [0,2,0,0,0,0|2,0,0]=4 1246 B11R1.21 C=C(C)c1ccc(c(c1)F)Cl 271570a_100000694244_100011216805 [0,2,0,0,0,0|2,0,0]=4 1247 B11R1.21 C=C(C)c1ccc(c(c1)F)F 271570a_100000694244_100000750028 [0,2,0,0,0,0|2,0,0]=4 1248 B11R1.21 C=C(C)c1ccc(c(c1)F)N 271570a_100000694244_100011215594 [0,2,0,0,0,0|2,0,0]=4 1249 B11R1.21 C=C(C)c1ccc(c(c1)F)O 271570a_100000694244_100000185481 [0,2,0,0,0,0|2,0,0]=4 1250 B11R1.21 C=C(C)c1ccc(c(c1)N)Br 271570a_100000694244_100000750456 [0,2,0,0,0,0|2,0,0]=4 1251 B11R1.21 C=C(C)c1ccc(c(c1)N)C 271570a_100000694244_100000761890 [0,2,0,0,0,0|2,0,0]=4 1252 B11R1.21 C=C(C)c1ccc(c(c1)N)Cl 271570a_100000694244_200000761891 [0,2,0,0,0,0|2,0,0]=4 1253 B11R1.21 C=C(C)c1ccc(c(c1)N)F 271570a_100000694244_100000740924 [0,2,0,0,0,0|2,0,0]=4 1254 B11R1.21 C=C(C)c1ccc(c(c1)N)N 271570a_100000694244_100000741789 [0,2,0,0,0,0|2,0,0]=4 1255 B11R1.21 C=C(C)c1ccc(c(c1)N)O 271570a_100000694244_100000752626 [0,2,0,0,0,0|2,0,0]=4 1256 B11R1.21 C=C(C)c1ccc(c(c1)O)Br 271570a_100000694244_100012356990 [0,2,0,0,0,0|2,0,0]=4 1257 B11R1.21 C=C(C)c1ccc(c(c1)O)C 271570a_100000694244_100000766334 [0,2,0,0,0,0|2,0,0]=4 1258 B11R1.21 C=C(C)c1ccc(c(c1)O)Cl 271570a_100000694244_100011356854 [0,2,0,0,0,0|2,0,0]=4 1259 B11R1.21 C=C(C)c1ccc(c(c1)O)F 271570a_100000694244_100000686035 [0,2,0,0,0,0|2,0,0]=4 1260 B11R1.21 C=C(C)c1ccc(c(c1)O)N 271570a_100000694244_100000739049 [0,2,0,0,0,0|2,0,0]=4 1261 B11R1.21 C=C(C)c1ccc(c(c1)O)O 271570a_100000694244_100009813601 [0,2,0,0,0,0|2,0,0]=4 1262 B11R1.21 CC(=O)c1cc(c(cn1)O)C 271570a_203496583355_100011011822 [0,2,0,0,0,0|2,0,0]=4 1263 B11R1.21 CC(=O)c1ccc(c(c1)Br)Br 1458a_100012339404_200000210301 [0,2,0,0,0,0|1,0,0]=3 1264 B11R1.21 CC(=O)c1ccc(c(c1)Br)C 1458a_100000186397_200000210301 [0,2,0,0,0,0|1,0,0]=3 1265 B11R1.21 CC(=O)c1ccc(c(c1)Br)Cl 1458a_100000691181_200000210301 [0,2,0,0,0,0|1,0,0]=3 1266 B11R1.21 CC(=O)c1ccc(c(c1)Br)F 1458a_100000760357_200000210301 [0,2,0,0,0,0|1,0,0]=3 1267 B11R1.21 CC(=O)c1ccc(c(c1)Br)I 1458a_100000739115_200000210301 [0,2,0,0,0,0|1,0,0]=3 1268 B11R1.21 CC(=O)c1ccc(c(c1)Br)O 1458a_100000189672_200000210301 [0,2,0,0,0,0|1,0,0]=3 1269 B11R1.21 CC(=O)c1ccc(c(c1)Br)O 271570a_203496583355_100010146554 [0,2,0,0,0,0|1,0,0]=3 1270 B11R1.21 CC(=O)c1ccc(c(c1)C)Br 1458a_100000692631_200000210301 [0,2,0,0,0,0|1,0,0]=3 1271 B11R1.21 CC(=O)c1ccc(c(c1)C)C 1458a_100000210898_200000210301 [0,2,0,0,0,0|1,0,0]=3 1272 B11R1.21 CC(=O)c1ccc(c(c1)C)Cl 1458a_100000686306_200000210301 [0,2,0,0,0,0|1,0,0]=3 1273 B11R1.21 CC(=O)c1ccc(c(c1)C)F 1458a_100000751819_200000210301 [0,2,0,0,0,0|1,0,0]=3 1274 B11R1.21 CC(=O)c1ccc(c(c1)C)I 1458a_100000751300_200000210301 [0,2,0,0,0,0|1,0,0]=3 1275 B11R1.21 CC(=O)c1ccc(c(c1)C)O 1458a_100000685612_200000210301 [0,2,0,0,0,0|1,0,0]=3 1276 B11R1.21 CC(=O)c1ccc(c(c1)C)O 271570a_203496583355_100000697869 [0,2,0,0,0,0|1,0,0]=3 1277 B11R1.21 CC(=O)c1ccc(c(c1)Cl)Br 1458a_100000687082_200000210301 [0,2,0,0,0,0|1,0,0]=3 1278 B11R1.21 CC(=O)c1ccc(c(c1)Cl)C 1458a_100000751740_200000210301 [0,2,0,0,0,0|1,0,0]=3 1279 B11R1.21 CC(=O)c1ccc(c(c1)Cl)Cl 1458a_100000210401_200000210301 [0,2,0,0,0,0|1,0,0]=3 1280 B11R1.21 CC(=O)c1ccc(c(c1)Cl)F 1458a_100000686462_200000210301 [0,2,0,0,0,0|1,0,0]=3 1281 B11R1.21 CC(=O)c1ccc(c(c1)Cl)I 1458a_100000684831_200000210301 [0,2,0,0,0,0|1,0,0]=3 1282 B11R1.21 CC(=O)c1ccc(c(c1)Cl)O 1458a_100000212196_200000210301 [0,2,0,0,0,0|1,0,0]=3 1283 B11R1.21 CC(=O)c1ccc(c(c1)F)Br 1458a_100000743946_200000210301 [0,2,0,0,0,0|1,0,0]=3 1284 B11R1.21 CC(=O)c1ccc(c(c1)F)C 1458a_100000212313_200000210301 [0,2,0,0,0,0|1,0,0]=3 1285 B11R1.21 CC(=O)c1ccc(c(c1)F)Cl 1458a_100000743183_200000210301 [0,2,0,0,0,0|1,0,0]=3 1286 B11R1.21 CC(=O)c1ccc(c(c1)F)F 1458a_100000209822_200000210301 [0,2,0,0,0,0|1,0,0]=3 1287 B11R1.21 CC(=O)c1ccc(c(c1)F)I 1458a_100000062624_200000210301 [0,2,0,0,0,0|1,0,0]=3 1288 B11R1.21 CC(=O)c1ccc(c(c1)F)O 1458a_100000185466_200000210301 [0,2,0,0,0,0|1,0,0]=3 1289 B11R1.21 CC(=O)c1ccc(c(c1)F)O 271570a_203496583355_100000690002 [0,2,0,0,0,0|1,0,0]=3 1290 B11R1.21 CC(=O)c1ccc(c(c1)I)Br 1458a_100012343876_200000210301 [0,2,0,0,0,0|1,0,0]=3 1291 B11R1.21 CC(=O)c1ccc(c(c1)I)C 1458a_100000751299_200000210301 [0,2,0,0,0,0|1,0,0]=3 1292 B11R1.21 CC(=O)c1ccc(c(c1)I)Cl 1458a_100000739381_200000210301 [0,2,0,0,0,0|1,0,0]=3 1293 B11R1.21 CC(=O)c1ccc(c(c1)I)F 1458a_100000688015_200000210301 [0,2,0,0,0,0|1,0,0]=3 1294 B11R1.21 CC(=O)c1ccc(c(c1)I)I 1458a_100000725830_200000210301 [0,2,0,0,0,0|1,0,0]=3 1295 B11R1.21 CC(=O)c1ccc(c(c1)I)O 1458a_100000037485_200000210301 [0,2,0,0,0,0|1,0,0]=3 1296 B11R1.21 CC(=O)c1ccc(c(c1)N)O 271570a_203496583355_100009816534 [0,2,0,0,0,0|1,0,0]=3 1297 B11R1.21 CC(=O)c1ccc(c(c1)O)Br 1458a_100000689001_200000210301 [0,2,0,0,0,0|1,0,0]=3 1298 B11R1.21 CC(=O)c1ccc(c(c1)O)Br 271570a_203496583355_100010146556 [0,2,0,0,0,0|1,0,0]=3 1299 B11R1.21 CC(=O)c1ccc(c(c1)O)C 1458a_100000233767_200000210301 [0,2,0,0,0,0|1,0,0]=3 1300 B11R1.21 CC(=O)c1ccc(c(c1)O)C 271570a_203496583355_100011934287 [0,2,0,0,0,0|1,0,0]=3 1301 B11R1.21 CC(=O)c1ccc(c(c1)O)Cl 1458a_100011933997_200000210301 [0,2,0,0,0,0|1,0,0]=3 1302 B11R1.21 CC(=O)c1ccc(c(c1)O)F 1458a_100000035894_200000210301 [0,2,0,0,0,0|1,0,0]=3 1303 B11R1.21 CC(=O)c1ccc(c(c1)O)F 271570a_203496583355_100000239719 [0,2,0,0,0,0|1,0,0]=3 1304 B11R1.21 CC(=O)c1ccc(c(c1)O)I 1458a_100000239334_200000210301 [0,2,0,0,0,0|1,0,0]=3 1305 B11R1.21 CC(=O)c1ccc(c(c1)O)N 271570a_203496583355_100012029215 [0,2,0,0,0,0|1,0,0]=3 1306 B11R1.21 CC(=O)c1ccc(c(c1)O)O 1458a_100000212155_200000210301 [0,2,0,0,0,0|1,0,0]=3 1307 B11R1.21 CC(=O)c1ccc(c(c1)O)O 271570a_203496583355_100011772453 [0,2,0,0,0,0|1,0,0]=3 1308 B11R1.21 CC(=O)c1cnc(c(c1)C)O 271570a_203496583355_100009864263 [0,2,0,0,0,0|2,0,0]=4 1309 B11R1.21 CC(=O)c1cnc(c(c1)O)F 271570a_203496583355_200010135287 [0,2,0,0,0,0|2,0,0]=4 1310 B11R1.21 CC(O)c1ccc(c(c1)O)F 271570a_203496583355_100011191524 [0,2,0,0,0,0|1,0,1]=4 1311 B11R1.21 Cc1cc(ccc1Br)C(=O)[13CH3] 1458a_100000692631_200025704644 [0,2,0,0,0,0|1,0,0]=3 1312 B11R1.21 Cc1cc(ccc1Cl)C(=O)[13CH3] 1458a_100000686306_200025704644 [0,2,0,0,0,0|1,0,0]=3 1313 B11R1.21 Cc1cc(ccc1F)C(=O)[13CH3] 1458a_100000751819_200025704644 [0,2,0,0,0,0|1,0,0]=3 1314 B11R1.21 Cc1cc(ccc1I)C(=O)[13CH3] 1458a_100000751300_200025704644 [0,2,0,0,0,0|1,0,0]=3 1315 B11R1.21 Cc1cc(ccc1O)B(O)O 271570a_203496583355_100010089846 [0,2,0,0,0,0|1,0,1]=4 1316 B11R1.21 Cc1cc(ccc1O)C(=O)N 271570a_203496583355_100011218126 [0,2,0,0,0,0|1,0,0]=3 1317 B11R1.21 Cc1cc(ccc1O)C(=O)[13CH3] 1458a_100000685612_200025704644 [0,2,0,0,0,0|1,0,0]=3 1318 B11R1.21 Cc1ccc(cc1Br)C(=O)[13CH3] 1458a_100000186397_200025704644 [0,2,0,0,0,0|1,0,0]=3 1319 B11R1.21 Cc1ccc(cc1C)C(=O)[13CH3] 1458a_100000210898_200025704644 [0,2,0,0,0,0|1,0,0]=3 1320 B11R1.21 Cc1ccc(cc1Cl)C(=O)[13CH3] 1458a_100000751740_200025704644 [0,2,0,0,0,0|1,0,0]=3 1321 B11R1.21 Cc1ccc(cc1F)C(=O)[13CH3] 1458a_100000212313_200025704644 [0,2,0,0,0,0|1,0,0]=3 1322 B11R1.21 Cc1ccc(cc1I)C(=O)[13CH3] 1458a_100000751299_200025704644 [0,2,0,0,0,0|1,0,0]=3 1323 B11R1.21 Cc1ccc(cc1O)B(O)O 271570a_203496583355_200010223333 [0,2,0,0,0,0|1,0,1]=4 1324 B11R1.21 Cc1ccc(cc1O)C(=O)N 271570a_203496583355_100000186401 [0,2,0,0,0,0|1,0,0]=3 1325 B11R1.21 Cc1ccc(cc1O)C(=O)[13CH3] 1458a_100000233767_200025704644 [0,2,0,0,0,0|1,0,0]=3 1326 B11R1.21 NC(=O)c1ccc(c(c1)Br)O 271570a_203496583355_100009814583 [0,2,0,0,0,0|1,0,0]=3 1327 B11R1.21 NC(=O)c1ccc(c(c1)F)O 271570a_203496583355_100000686215 [0,2,0,0,0,0|1,0,0]=3 1328 B11R1.21 NC(=O)c1ccc(c(c1)O)F 271570a_203496583355_100011202321 [0,2,0,0,0,0|1,0,0]=3 1329 B11R1.21 NC(=O)c1ccc(c(c1)O)O 271570a_203496583355_100012344895 [0,2,0,0,0,0|1,0,0]=3 1330 B11R1.21 OB(O)c1ccc(c(c1)F)O 271570a_203496583355_100009813512 [0,2,0,0,0,0|1,0,1]=4 1331 B11R1.21 OB(O)c1ccc(c(c1)O)F 271570a_203496583355_100010175509 [0,2,0,0,0,0|1,0,1]=4 1332 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Br)Br 1458a_100012339404_200025704644 [0,2,0,0,0,0|1,0,0]=3 1333 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Br)Cl 1458a_100000691181_200025704644 [0,2,0,0,0,0|1,0,0]=3 1334 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Br)F 1458a_100000760357_200025704644 [0,2,0,0,0,0|1,0,0]=3 1335 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Br)I 1458a_100000739115_200025704644 [0,2,0,0,0,0|1,0,0]=3 1336 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Br)O 1458a_100000189672_200025704644 [0,2,0,0,0,0|1,0,0]=3 1337 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Cl)Br 1458a_100000687082_200025704644 [0,2,0,0,0,0|1,0,0]=3 1338 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Cl)Cl 1458a_100000210401_200025704644 [0,2,0,0,0,0|1,0,0]=3 1339 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Cl)F 1458a_100000686462_200025704644 [0,2,0,0,0,0|1,0,0]=3 1340 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Cl)I 1458a_100000684831_200025704644 [0,2,0,0,0,0|1,0,0]=3 1341 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Cl)O 1458a_100000212196_200025704644 [0,2,0,0,0,0|1,0,0]=3 1342 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)F)Br 1458a_100000743946_200025704644 [0,2,0,0,0,0|1,0,0]=3 1343 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)F)Cl 1458a_100000743183_200025704644 [0,2,0,0,0,0|1,0,0]=3 1344 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)F)F 1458a_100000209822_200025704644 [0,2,0,0,0,0|1,0,0]=3 1345 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)F)I 1458a_100000062624_200025704644 [0,2,0,0,0,0|1,0,0]=3 1346 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)F)O 1458a_100000185466_200025704644 [0,2,0,0,0,0|1,0,0]=3 1347 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)I)Br 1458a_100012343876_200025704644 [0,2,0,0,0,0|1,0,0]=3 1348 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)I)Cl 1458a_100000739381_200025704644 [0,2,0,0,0,0|1,0,0]=3 1349 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)I)F 1458a_100000688015_200025704644 [0,2,0,0,0,0|1,0,0]=3 1350 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)I)I 1458a_100000725830_200025704644 [0,2,0,0,0,0|1,0,0]=3 1351 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)I)O 1458a_100000037485_200025704644 [0,2,0,0,0,0|1,0,0]=3 1352 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)O)Br 1458a_100000689001_200025704644 [0,2,0,0,0,0|1,0,0]=3 1353 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)O)Cl 1458a_100011933997_200025704644 [0,2,0,0,0,0|1,0,0]=3 1354 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)O)F 1458a_100000035894_200025704644 [0,2,0,0,0,0|1,0,0]=3 1355 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)O)I 1458a_100000239334_200025704644 [0,2,0,0,0,0|1,0,0]=3 1356 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)O)O 1458a_100000212155_200025704644 [0,2,0,0,0,0|1,0,0]=3 1357 B11R1.22 CC(O[13CH3])c1ccc(cc1)Br 34a_100000745893_200025704644 [0,2,0,0,0,0|1,0,1]=4 1358 B11R1.22 CC(O[13CH3])c1ccc(cc1)Br 7a_100000745893_200025704644 [0,2,0,0,0,0|1,0,1]=4 1359 B11R1.22 CC(O[13CH3])c1ccc(cc1)F 34a_100000181323_200025704644 [0,2,0,0,0,0|1,0,1]=4 1360 B11R1.22 CC(O[13CH3])c1ccc(cc1)F 7a_100000181323_200025704644 [0,2,0,0,0,0|1,0,1]=4 1361 B11R1.22 CC(O[13CH3])c1ccc(cc1)N 34a_100011216399_200025704644 [0,2,0,0,0,0|1,0,1]=4 1362 B11R1.22 CCC(=O)c1ccc(cc1)Br 1458a_100000185839_100000210202 [0,2,0,0,0,0|1,0,0]=3 1363 B11R1.22 CCC(=O)c1ccc(cc1)C 1458a_100000188618_100000210202 [0,2,0,0,0,0|1,0,0]=3 1364 B11R1.22 CCC(=O)c1ccc(cc1)Cl 1458a_100000210187_100000210202 [0,2,0,0,0,0|1,0,0]=3 1365 B11R1.22 CCC(=O)c1ccc(cc1)F 1458a_100000187176_100000210202 [0,2,0,0,0,0|1,0,0]=3 1366 B11R1.22 CCC(=O)c1ccc(cc1)I 1458a_100000187904_100000210202 [0,2,0,0,0,0|1,0,0]=3 1367 B11R1.22 CCC(=O)c1ccc(cc1)O 1458a_100000212099_100000210202 [0,2,0,0,0,0|1,0,0]=3 1368 B11R1.22 CCC(=O)c1ccc(cc1)O 271570a_203496583355_100000211647 [0,2,0,0,0,0|1,0,0]=3 1369 B11R1.22 CCC(=O)c1ccc(cn1)O 271570a_203496583355_100012351654 [0,2,0,0,0,0|2,0,0]=4 1370 B11R1.22 CCC(O)c1ccc(cc1)O 271570a_203496583355_100000246506 [0,2,0,0,0,0|1,0,1]=4 1371 B11R1.22 CNC(=O)c1ccc(cc1)Br 11a_106832991635_100000185839 [0,2,0,0,0,0|1,0,0]=3 1372 B11R1.22 CNC(=O)c1ccc(cc1)Br 1626a_100102657272_100000185839 [0,2,0,0,0,0|1,0,0]=3 1373 B11R1.22 CNC(=O)c1ccc(cc1)Br 240690a_100102657272_100000185839 [0,2,0,0,0,0|1,0,0]=3 1374 B11R1.22 CNC(=O)c1ccc(cc1)Br 527a_100102657272_100000185839 [0,2,0,0,0,0|1,0,0]=3 1375 B11R1.22 CNC(=O)c1ccc(cc1)C 11a_106832991635_100000188618 [0,2,0,0,0,0|1,0,0]=3 1376 B11R1.22 CNC(=O)c1ccc(cc1)C 1626a_100102657272_100000188618 [0,2,0,0,0,0|1,0,0]=3 1377 B11R1.22 CNC(=O)c1ccc(cc1)C 240690a_100102657272_100000188618 [0,2,0,0,0,0|1,0,0]=3 1378 B11R1.22 CNC(=O)c1ccc(cc1)C 527a_100102657272_100000188618 [0,2,0,0,0,0|1,0,0]=3 1379 B11R1.22 CNC(=O)c1ccc(cc1)Cl 11a_106832991635_100000210187 [0,2,0,0,0,0|1,0,0]=3 1380 B11R1.22 CNC(=O)c1ccc(cc1)Cl 1626a_100102657272_100000210187 [0,2,0,0,0,0|1,0,0]=3 1381 B11R1.22 CNC(=O)c1ccc(cc1)Cl 240690a_100102657272_100000210187 [0,2,0,0,0,0|1,0,0]=3 1382 B11R1.22 CNC(=O)c1ccc(cc1)Cl 527a_100102657272_100000210187 [0,2,0,0,0,0|1,0,0]=3 1383 B11R1.22 CNC(=O)c1ccc(cc1)F 11a_106832991635_100000187176 [0,2,0,0,0,0|1,0,0]=3 1384 B11R1.22 CNC(=O)c1ccc(cc1)F 1626a_100102657272_100000187176 [0,2,0,0,0,0|1,0,0]=3 1385 B11R1.22 CNC(=O)c1ccc(cc1)F 240690a_100102657272_100000187176 [0,2,0,0,0,0|1,0,0]=3 1386 B11R1.22 CNC(=O)c1ccc(cc1)F 527a_100102657272_100000187176 [0,2,0,0,0,0|1,0,0]=3 1387 B11R1.22 CNC(=O)c1ccc(cc1)I 11a_106832991635_100000187904 [0,2,0,0,0,0|1,0,0]=3 1388 B11R1.22 CNC(=O)c1ccc(cc1)I 1626a_100102657272_100000187904 [0,2,0,0,0,0|1,0,0]=3 1389 B11R1.22 CNC(=O)c1ccc(cc1)I 240690a_100102657272_100000187904 [0,2,0,0,0,0|1,0,0]=3 1390 B11R1.22 CNC(=O)c1ccc(cc1)I 527a_100102657272_100000187904 [0,2,0,0,0,0|1,0,0]=3 1391 B11R1.22 CNC(=O)c1ccc(cc1)O 240690a_100102657272_100000212099 [0,2,0,0,0,0|1,0,0]=3 1392 B11R1.22 CNC(=O)c1ccc(cc1)O 271570a_203496583355_100000155074 [0,2,0,0,0,0|1,0,0]=3 1393 B11R1.22 CNC(=O)c1ccc(cc1)O 527a_100102657272_100000212099 [0,2,0,0,0,0|1,0,0]=3 1394 B11R1.22 CNC(=O)c1ccc(cn1)O 271570a_203496583355_100011781262 [0,2,0,0,0,0|2,0,0]=4 1395 B11R1.22 CNC(=O)c1ccc(nc1)O 271570a_203496583355_100000159860 [0,2,0,0,0,0|2,0,0]=4 1396 B11R1.22 COC(=O)c1ccc(cc1)O 271570a_203496583355_100000150774 [0,2,0,0,0,0|0,0,0]=2 1397 B11R1.22 COC(=O)c1ccc(cn1)O 271570a_203496583355_100000690920 [0,2,0,0,0,0|1,0,0]=3 1398 B11R1.22 COC(=O)c1ccc(nc1)O 271570a_203496583355_100000733799 [0,2,0,0,0,0|1,0,0]=3 1399 B11R1.22 COC(=O)c1ccc(nn1)O 271570a_203496583355_100009816182 [0,2,0,0,0,0|2,0,0]=4 1400 B11R1.22 COC(=O)c1cnc(cn1)O 271570a_203496583355_100010219404 [0,2,0,0,0,0|2,0,0]=4 1401 B11R1.22 COC(=O)c1cnc(nc1)O 271570a_203496583355_100000729365 [0,2,0,0,0,0|2,0,0]=4 1402 B11R1.22 COC(=O)c1ncc(cn1)O 271570a_203496583355_100000690087 [0,2,0,0,0,0|2,0,0]=4 1403 B11R1.22 COC(C)c1ccc(cc1)Br 34a_100000745893_200000210301 [0,2,0,0,0,0|1,0,1]=4 1404 B11R1.22 COC(C)c1ccc(cc1)Br 34a_100138415774_100000755118 [0,2,0,0,0,0|1,0,1]=4 1405 B11R1.22 COC(C)c1ccc(cc1)Br 7a_100000745893_200000210301 [0,2,0,0,0,0|1,0,1]=4 1406 B11R1.22 COC(C)c1ccc(cc1)C 34a_100138415774_100011261388 [0,2,0,0,0,0|1,0,1]=4 1407 B11R1.22 COC(C)c1ccc(cc1)F 34a_100000181323_200000210301 [0,2,0,0,0,0|1,0,1]=4 1408 B11R1.22 COC(C)c1ccc(cc1)F 34a_100138415774_100000743420 [0,2,0,0,0,0|1,0,1]=4 1409 B11R1.22 COC(C)c1ccc(cc1)F 7a_100000181323_200000210301 [0,2,0,0,0,0|1,0,1]=4 1410 B11R1.22 COC(C)c1ccc(cc1)N 34a_100011216399_200000210301 [0,2,0,0,0,0|1,0,1]=4 1411 B11R1.22 COC(C)c1ccc(cc1)O 271570a_203496583355_100010254937 [0,2,0,0,0,0|1,0,1]=4 1412 B11R1.22 CO[C@@H](C)c1ccc(cc1)Cl 34a_100011852131_200000210301 [0,2,0,0,0,0|1,0,1]=4 1413 B11R1.22 CO[C@@H](C)c1ccc(cc1)Cl 7a_100011852131_200000210301 [0,2,0,0,0,0|1,0,1]=4 1414 B11R1.22 CO[C@H](C)c1ccc(cc1)C 34a_100000690690_200000210301 [0,2,0,0,0,0|1,0,1]=4 1415 B11R1.22 CO[C@H](C)c1ccc(cc1)C 7a_100000690690_200000210301 [0,2,0,0,0,0|1,0,1]=4 1416 B11R1.22 C[C@H](O[13CH3])c1ccc(cc1)Cl 34a_100011852131_200025704644 [0,2,0,0,0,0|1,0,1]=4 1417 B11R1.22 C[C@H](O[13CH3])c1ccc(cc1)Cl 7a_100011852131_200025704644 [0,2,0,0,0,0|1,0,1]=4 1418 B11R1.22 Cc1ccc(cc1)C(=O)CF 1458a_100000188618_100015361967 [0,2,0,0,0,0|1,0,0]=3 1419 B11R1.22 Cc1ccc(cc1)[C@@H](C)O[13CH3] 34a_100000690690_200025704644 [0,2,0,0,0,0|1,0,1]=4 1420 B11R1.22 Cc1ccc(cc1)[C@@H](C)O[13CH3] 7a_100000690690_200025704644 [0,2,0,0,0,0|1,0,1]=4 1421 B11R1.22 N#CC(=O)c1ccc(cc1)O 271570a_203496583355_100009994572 [0,2,0,0,0,0|1,0,0]=3 1422 B11R1.22 NC(CO)c1ccc(cc1)O 271570a_203496583355_100000734186 [0,2,0,0,0,0|1,0,1]=4 1423 B11R1.22 NCC(=O)c1ccc(cc1)O 271570a_203496583355_100000017248 [0,2,0,0,0,0|1,0,0]=3 1424 B11R1.22 NCC(O)c1ccc(cc1)O 271570a_203496583355_100020626992 [0,2,0,0,0,0|1,0,1]=4 1425 B11R1.22 NNC(=O)c1ccc(cc1)O 271570a_203496583355_100000183614 [0,2,0,0,0,0|1,0,0]=3 1426 B11R1.22 NNC(=O)c1ccc(cn1)O 271570a_203496583355_100011781063 [0,2,0,0,0,0|2,0,0]=4 1427 B11R1.22 NNC(=O)c1ccc(nc1)O 271570a_203496583355_100000189807 [0,2,0,0,0,0|2,0,0]=4 1428 B11R1.22 O=C(CF)c1ccc(cc1)Br 1458a_100000185839_100015361967 [0,2,0,0,0,0|1,0,0]=3 1429 B11R1.22 O=C(CF)c1ccc(cc1)Cl 1458a_100000210187_100015361967 [0,2,0,0,0,0|1,0,0]=3 1430 B11R1.22 O=C(CF)c1ccc(cc1)F 1458a_100000187176_100015361967 [0,2,0,0,0,0|1,0,0]=3 1431 B11R1.22 O=C(CF)c1ccc(cc1)I 1458a_100000187904_100015361967 [0,2,0,0,0,0|1,0,0]=3 1432 B11R1.22 O=C(CF)c1ccc(cc1)O 1458a_100000212099_100015361967 [0,2,0,0,0,0|1,0,0]=3 1433 B11R1.22 O=C(CO)c1ccc(cc1)O 271570a_203496583355_100011219529 [0,2,0,0,0,0|0,0,0]=2 1434 B11R1.22 O=CC(=O)c1ccc(cc1)O 271570a_203496583355_100000725942 [0,2,0,0,0,0|0,0,1]=3 1435 B11R1.22 OCC(O)c1ccc(cc1)O 271570a_203496583355_200012355997 [0,2,0,0,0,0|0,0,2]=4 1436 B11R1.22 [2H]C(OC)c1ccc(cc1)F 34a_217856618577_200000210301 [0,2,0,0,0,0|1,0,1]=4 1437 B11R1.22 [2H]C(OC)c1ccc(cc1)F 7a_217856618577_200000210301 [0,2,0,0,0,0|1,0,1]=4 1438 B11R1.22 [2H]C(O[13CH3])c1ccc(cc1)F 34a_217856618577_200025704644 [0,2,0,0,0,0|1,0,1]=4 1439 B11R1.22 [2H]C(O[13CH3])c1ccc(cc1)F 7a_217856618577_200025704644 [0,2,0,0,0,0|1,0,1]=4 1440 B11R1.166 C=C(C)c1ccc(cc1Br)Br 271570a_100000694244_100011484698 [0,2,0,0,0,0|2,0,0]=4 1441 B11R1.166 C=C(C)c1ccc(cc1Br)C 271570a_100000694244_100009813563 [0,2,0,0,0,0|2,0,0]=4 1442 B11R1.166 C=C(C)c1ccc(cc1Br)Cl 271570a_100000694244_100011219703 [0,2,0,0,0,0|2,0,0]=4 1443 B11R1.166 C=C(C)c1ccc(cc1Br)F 271570a_100000694244_100011217111 [0,2,0,0,0,0|2,0,0]=4 1444 B11R1.166 C=C(C)c1ccc(cc1Br)N 271570a_100000694244_100000750458 [0,2,0,0,0,0|2,0,0]=4 1445 B11R1.166 C=C(C)c1ccc(cc1Br)O 271570a_100000694244_100000701344 [0,2,0,0,0,0|2,0,0]=4 1446 B11R1.166 C=C(C)c1ccc(cc1C)Br 271570a_100000694244_100000701812 [0,2,0,0,0,0|2,0,0]=4 1447 B11R1.166 C=C(C)c1ccc(cc1C)C 271570a_100000694244_100011217332 [0,2,0,0,0,0|2,0,0]=4 1448 B11R1.166 C=C(C)c1ccc(cc1C)Cl 271570a_100000694244_100011219607 [0,2,0,0,0,0|2,0,0]=4 1449 B11R1.166 C=C(C)c1ccc(cc1C)F 271570a_100000694244_100011205405 [0,2,0,0,0,0|2,0,0]=4 1450 B11R1.166 C=C(C)c1ccc(cc1C)N 271570a_100000694244_100000210723 [0,2,0,0,0,0|2,0,0]=4 1451 B11R1.166 C=C(C)c1ccc(cc1C)O 271570a_100000694244_100000729255 [0,2,0,0,0,0|2,0,0]=4 1452 B11R1.166 C=C(C)c1ccc(cc1Cl)Br 271570a_100000694244_100011216062 [0,2,0,0,0,0|2,0,0]=4 1453 B11R1.166 C=C(C)c1ccc(cc1Cl)C 271570a_100000694244_100011263221 [0,2,0,0,0,0|2,0,0]=4 1454 B11R1.166 C=C(C)c1ccc(cc1Cl)Cl 271570a_100000694244_100000699841 [0,2,0,0,0,0|2,0,0]=4 1455 B11R1.166 C=C(C)c1ccc(cc1Cl)F 271570a_100000694244_100000733362 [0,2,0,0,0,0|2,0,0]=4 1456 B11R1.166 C=C(C)c1ccc(cc1Cl)N 271570a_100000694244_100000761885 [0,2,0,0,0,0|2,0,0]=4 1457 B11R1.166 C=C(C)c1ccc(cc1Cl)O 271570a_100000694244_100000047559 [0,2,0,0,0,0|2,0,0]=4 1458 B11R1.166 C=C(C)c1ccc(cc1F)Br 271570a_100000694244_100009814013 [0,2,0,0,0,0|2,0,0]=4 1459 B11R1.166 C=C(C)c1ccc(cc1F)C 271570a_100000694244_100011216119 [0,2,0,0,0,0|2,0,0]=4 1460 B11R1.166 C=C(C)c1ccc(cc1F)Cl 271570a_100000694244_100011216042 [0,2,0,0,0,0|2,0,0]=4 1461 B11R1.166 C=C(C)c1ccc(cc1F)F 271570a_100000694244_100000750030 [0,2,0,0,0,0|2,0,0]=4 1462 B11R1.166 C=C(C)c1ccc(cc1F)N 271570a_100000694244_100011356925 [0,2,0,0,0,0|2,0,0]=4 1463 B11R1.166 C=C(C)c1ccc(cc1F)O 271570a_100000694244_100000755031 [0,2,0,0,0,0|2,0,0]=4 1464 B11R1.166 C=C(C)c1ccc(cc1N)Br 271570a_100000694244_100000743836 [0,2,0,0,0,0|2,0,0]=4 1465 B11R1.166 C=C(C)c1ccc(cc1N)C 271570a_100000694244_100011216686 [0,2,0,0,0,0|2,0,0]=4 1466 B11R1.166 C=C(C)c1ccc(cc1N)Cl 271570a_100000694244_100000761886 [0,2,0,0,0,0|2,0,0]=4 1467 B11R1.166 C=C(C)c1ccc(cc1N)F 271570a_100000694244_100011218093 [0,2,0,0,0,0|2,0,0]=4 1468 B11R1.166 C=C(C)c1ccc(cc1N)N 271570a_100000694244_200012175722 [0,2,0,0,0,0|2,0,0]=4 1469 B11R1.166 C=C(C)c1ccc(cc1N)O 271570a_100000694244_100011999798 [0,2,0,0,0,0|2,0,0]=4 1470 B11R1.166 C=C(C)c1ccc(cc1O)Br 271570a_100000694244_100012344904 [0,2,0,0,0,0|2,0,0]=4 1471 B11R1.166 C=C(C)c1ccc(cc1O)C 271570a_100000694244_100012002257 [0,2,0,0,0,0|2,0,0]=4 1472 B11R1.166 C=C(C)c1ccc(cc1O)Cl 271570a_100000694244_100000050036 [0,2,0,0,0,0|2,0,0]=4 1473 B11R1.166 C=C(C)c1ccc(cc1O)F 271570a_100000694244_100000690578 [0,2,0,0,0,0|2,0,0]=4 1474 B11R1.166 C=C(C)c1ccc(cc1O)O 271570a_100000694244_100009813921 [0,2,0,0,0,0|2,0,0]=4 1475 B11R1.166 CC(=O)c1ccc(cc1Br)Br 1458a_100000762965_200000210301 [0,2,0,0,0,0|1,0,0]=3 1476 B11R1.166 CC(=O)c1ccc(cc1Br)C 1458a_100000685072_200000210301 [0,2,0,0,0,0|1,0,0]=3 1477 B11R1.166 CC(=O)c1ccc(cc1Br)Cl 1458a_100000766353_200000210301 [0,2,0,0,0,0|1,0,0]=3 1478 B11R1.166 CC(=O)c1ccc(cc1Br)F 1458a_100000212304_200000210301 [0,2,0,0,0,0|1,0,0]=3 1479 B11R1.166 CC(=O)c1ccc(cc1Br)I 1458a_100012360512_200000210301 [0,2,0,0,0,0|1,0,0]=3 1480 B11R1.166 CC(=O)c1ccc(cc1Br)O 1458a_100012344906_200000210301 [0,2,0,0,0,0|1,0,0]=3 1481 B11R1.166 CC(=O)c1ccc(cc1C)Br 1458a_100000741311_200000210301 [0,2,0,0,0,0|1,0,0]=3 1482 B11R1.166 CC(=O)c1ccc(cc1C)C 1458a_100000211164_200000210301 [0,2,0,0,0,0|1,0,0]=3 1483 B11R1.166 CC(=O)c1ccc(cc1C)Cl 1458a_100000688705_200000210301 [0,2,0,0,0,0|1,0,0]=3 1484 B11R1.166 CC(=O)c1ccc(cc1C)F 1458a_100000686989_200000210301 [0,2,0,0,0,0|1,0,0]=3 1485 B11R1.166 CC(=O)c1ccc(cc1C)I 1458a_100010189873_200000210301 [0,2,0,0,0,0|1,0,0]=3 1486 B11R1.166 CC(=O)c1ccc(cc1C)O 1458a_100000692822_200000210301 [0,2,0,0,0,0|1,0,0]=3 1487 B11R1.166 CC(=O)c1ccc(cc1C)O 271570a_203496583355_100012360112 [0,2,0,0,0,0|1,0,0]=3 1488 B11R1.166 CC(=O)c1ccc(cc1Cl)Br 1458a_100000741628_200000210301 [0,2,0,0,0,0|1,0,0]=3 1489 B11R1.166 CC(=O)c1ccc(cc1Cl)C 1458a_100000766932_200000210301 [0,2,0,0,0,0|1,0,0]=3 1490 B11R1.166 CC(=O)c1ccc(cc1Cl)Cl 1458a_100000185840_200000210301 [0,2,0,0,0,0|1,0,0]=3 1491 B11R1.166 CC(=O)c1ccc(cc1Cl)F 1458a_100000211397_200000210301 [0,2,0,0,0,0|1,0,0]=3 1492 B11R1.166 CC(=O)c1ccc(cc1Cl)I 1458a_100000751301_200000210301 [0,2,0,0,0,0|1,0,0]=3 1493 B11R1.166 CC(=O)c1ccc(cc1Cl)O 1458a_100000702456_200000210301 [0,2,0,0,0,0|1,0,0]=3 1494 B11R1.166 CC(=O)c1ccc(cc1F)Br 1458a_100000214689_200000210301 [0,2,0,0,0,0|1,0,0]=3 1495 B11R1.166 CC(=O)c1ccc(cc1F)C 1458a_100000766033_200000210301 [0,2,0,0,0,0|1,0,0]=3 1496 B11R1.166 CC(=O)c1ccc(cc1F)Cl 1458a_100000212326_200000210301 [0,2,0,0,0,0|1,0,0]=3 1497 B11R1.166 CC(=O)c1ccc(cc1F)F 1458a_100000211022_200000210301 [0,2,0,0,0,0|1,0,0]=3 1498 B11R1.166 CC(=O)c1ccc(cc1F)I 1458a_100000037189_200000210301 [0,2,0,0,0,0|1,0,0]=3 1499 B11R1.166 CC(=O)c1ccc(cc1F)O 1458a_100000689029_200000210301 [0,2,0,0,0,0|1,0,0]=3 1500 B11R1.166 CC(=O)c1ccc(cc1F)O 271570a_203496583355_100000690205 [0,2,0,0,0,0|1,0,0]=3 1501 B11R1.166 CC(=O)c1ccc(cc1I)Br 1458a_100000751167_200000210301 [0,2,0,0,0,0|1,0,0]=3 1502 B11R1.166 CC(=O)c1ccc(cc1I)C 1458a_100009999607_200000210301 [0,2,0,0,0,0|1,0,0]=3 1503 B11R1.166 CC(=O)c1ccc(cc1I)Cl 1458a_100000739380_200000210301 [0,2,0,0,0,0|1,0,0]=3 1504 B11R1.166 CC(=O)c1ccc(cc1I)F 1458a_100000739341_200000210301 [0,2,0,0,0,0|1,0,0]=3 1505 B11R1.166 CC(=O)c1ccc(cc1N)O 271570a_203496583355_100011590516 [0,2,0,0,0,0|1,0,0]=3 1506 B11R1.166 CC(=O)c1ccc(cc1O)Br 1458a_100000744433_200000210301 [0,2,0,0,0,0|1,0,0]=3 1507 B11R1.166 CC(=O)c1ccc(cc1O)C 1458a_100000212137_200000210301 [0,2,0,0,0,0|1,0,0]=3 1508 B11R1.166 CC(=O)c1ccc(cc1O)C 271570a_203496583355_100012353930 [0,2,0,0,0,0|1,0,0]=3 1509 B11R1.166 CC(=O)c1ccc(cc1O)Cl 1458a_100000188622_200000210301 [0,2,0,0,0,0|1,0,0]=3 1510 B11R1.166 CC(=O)c1ccc(cc1O)F 1458a_100000746061_200000210301 [0,2,0,0,0,0|1,0,0]=3 1511 B11R1.166 CC(=O)c1ccc(cc1O)F 271570a_203496583355_100000686192 [0,2,0,0,0,0|1,0,0]=3 1512 B11R1.166 CC(=O)c1ccc(cc1O)I 1458a_100000091984_200000210301 [0,2,0,0,0,0|1,0,0]=3 1513 B11R1.166 CC(=O)c1ccc(cc1O)O 1458a_100000212172_200000210301 [0,2,0,0,0,0|1,0,0]=3 1514 B11R1.166 CC(=O)c1ccc(cc1O)O 271570a_203496583355_100000188348 [0,2,0,0,0,0|1,0,0]=3 1515 B11R1.166 CC(=O)c1ccc(cc1O)O 271570a_203496583355_100012340537 [0,2,0,0,0,0|1,0,0]=3 1516 B11R1.166 CC(=O)c1ncc(cc1F)O 271570a_203496583355_100000696590 [0,2,0,0,0,0|2,0,0]=4 1517 B11R1.166 Cc1cc(ccc1B(O)O)O 271570a_203496583355_100010074995 [0,2,0,0,0,0|1,0,1]=4 1518 B11R1.166 Cc1cc(ccc1C(=O)N)O 271570a_203496583355_100011327924 [0,2,0,0,0,0|1,0,0]=3 1519 B11R1.166 Cc1cc(ccc1C(=O)[13CH3])Br 1458a_100000741311_200025704644 [0,2,0,0,0,0|1,0,0]=3 1520 B11R1.166 Cc1cc(ccc1C(=O)[13CH3])Cl 1458a_100000688705_200025704644 [0,2,0,0,0,0|1,0,0]=3 1521 B11R1.166 Cc1cc(ccc1C(=O)[13CH3])F 1458a_100000686989_200025704644 [0,2,0,0,0,0|1,0,0]=3 1522 B11R1.166 Cc1cc(ccc1C(=O)[13CH3])I 1458a_100010189873_200025704644 [0,2,0,0,0,0|1,0,0]=3 1523 B11R1.166 Cc1cc(ccc1C(=O)[13CH3])O 1458a_100000692822_200025704644 [0,2,0,0,0,0|1,0,0]=3 1524 B11R1.166 Cc1cc(ncc1C(=O)N)O 271570a_203496583355_200134614278 [0,2,0,0,0,0|2,0,0]=4 1525 B11R1.166 Cc1ccc(c(c1)Br)C(=O)[13CH3] 1458a_100000685072_200025704644 [0,2,0,0,0,0|1,0,0]=3 1526 B11R1.166 Cc1ccc(c(c1)C)C(=O)[13CH3] 1458a_100000211164_200025704644 [0,2,0,0,0,0|1,0,0]=3 1527 B11R1.166 Cc1ccc(c(c1)Cl)C(=O)[13CH3] 1458a_100000766932_200025704644 [0,2,0,0,0,0|1,0,0]=3 1528 B11R1.166 Cc1ccc(c(c1)F)C(=O)[13CH3] 1458a_100000766033_200025704644 [0,2,0,0,0,0|1,0,0]=3 1529 B11R1.166 Cc1ccc(c(c1)I)C(=O)[13CH3] 1458a_100009999607_200025704644 [0,2,0,0,0,0|1,0,0]=3 1530 B11R1.166 Cc1ccc(c(c1)O)B(O)O 271570a_203496583355_200011068827 [0,2,0,0,0,0|1,0,1]=4 1531 B11R1.166 Cc1ccc(c(c1)O)C(=O)[13CH3] 1458a_100000212137_200025704644 [0,2,0,0,0,0|1,0,0]=3 1532 B11R1.166 Cc1ccc(c(n1)O)C(=O)N 271570a_203496583355_100000041523 [0,2,0,0,0,0|2,0,0]=4 1533 B11R1.166 NC(=O)c1ccc(cc1Br)O 271570a_203496583355_200010146565 [0,2,0,0,0,0|1,0,0]=3 1534 B11R1.166 NC(=O)c1ccc(cc1F)O 271570a_203496583355_100000216903 [0,2,0,0,0,0|1,0,0]=3 1535 B11R1.166 NC(=O)c1ccc(cc1N)O 271570a_203496583355_100012349972 [0,2,0,0,0,0|1,0,0]=3 1536 B11R1.166 NC(=O)c1ccc(cc1O)Br 271570a_203496583355_100009815748 [0,2,0,0,0,0|1,0,0]=3 1537 B11R1.166 NC(=O)c1ccc(cc1O)F 271570a_203496583355_100000206404 [0,2,0,0,0,0|1,0,0]=3 1538 B11R1.166 NC(=O)c1ccc(cc1O)O 271570a_203496583355_100011550861 [0,2,0,0,0,0|1,0,0]=3 1539 B11R1.166 NC(=O)c1ccc(nc1N)O 271570a_203496583355_100009875182 [0,2,0,0,0,0|2,0,0]=4 1540 B11R1.166 NC(=O)c1ncc(cc1F)O 271570a_203496583355_200010161073 [0,2,0,0,0,0|2,0,0]=4 1541 B11R1.166 NC(=O)c1ncc(cc1N)O 271570a_203496583355_100010235749 [0,2,0,0,0,0|2,0,0]=4 1542 B11R1.166 OB(O)c1ccc(cc1F)O 271570a_203496583355_100009813958 [0,2,0,0,0,0|1,0,1]=4 1543 B11R1.166 OB(O)c1ccc(cc1O)F 271570a_203496583355_100010175514 [0,2,0,0,0,0|1,0,1]=4 1544 B11R1.166 OB(O)c1ccc(cc1O)O 271570a_203496583355_100010158982 [0,2,0,0,0,0|1,0,1]=4 1545 B11R1.166 [13CH3]C(=O)c1ccc(cc1Br)Br 1458a_100000762965_200025704644 [0,2,0,0,0,0|1,0,0]=3 1546 B11R1.166 [13CH3]C(=O)c1ccc(cc1Br)Cl 1458a_100000766353_200025704644 [0,2,0,0,0,0|1,0,0]=3 1547 B11R1.166 [13CH3]C(=O)c1ccc(cc1Br)F 1458a_100000212304_200025704644 [0,2,0,0,0,0|1,0,0]=3 1548 B11R1.166 [13CH3]C(=O)c1ccc(cc1Br)I 1458a_100012360512_200025704644 [0,2,0,0,0,0|1,0,0]=3 1549 B11R1.166 [13CH3]C(=O)c1ccc(cc1Br)O 1458a_100012344906_200025704644 [0,2,0,0,0,0|1,0,0]=3 1550 B11R1.166 [13CH3]C(=O)c1ccc(cc1Cl)Br 1458a_100000741628_200025704644 [0,2,0,0,0,0|1,0,0]=3 1551 B11R1.166 [13CH3]C(=O)c1ccc(cc1Cl)Cl 1458a_100000185840_200025704644 [0,2,0,0,0,0|1,0,0]=3 1552 B11R1.166 [13CH3]C(=O)c1ccc(cc1Cl)F 1458a_100000211397_200025704644 [0,2,0,0,0,0|1,0,0]=3 1553 B11R1.166 [13CH3]C(=O)c1ccc(cc1Cl)I 1458a_100000751301_200025704644 [0,2,0,0,0,0|1,0,0]=3 1554 B11R1.166 [13CH3]C(=O)c1ccc(cc1Cl)O 1458a_100000702456_200025704644 [0,2,0,0,0,0|1,0,0]=3 1555 B11R1.166 [13CH3]C(=O)c1ccc(cc1F)Br 1458a_100000214689_200025704644 [0,2,0,0,0,0|1,0,0]=3 1556 B11R1.166 [13CH3]C(=O)c1ccc(cc1F)Cl 1458a_100000212326_200025704644 [0,2,0,0,0,0|1,0,0]=3 1557 B11R1.166 [13CH3]C(=O)c1ccc(cc1F)F 1458a_100000211022_200025704644 [0,2,0,0,0,0|1,0,0]=3 1558 B11R1.166 [13CH3]C(=O)c1ccc(cc1F)I 1458a_100000037189_200025704644 [0,2,0,0,0,0|1,0,0]=3 1559 B11R1.166 [13CH3]C(=O)c1ccc(cc1F)O 1458a_100000689029_200025704644 [0,2,0,0,0,0|1,0,0]=3 1560 B11R1.166 [13CH3]C(=O)c1ccc(cc1I)Br 1458a_100000751167_200025704644 [0,2,0,0,0,0|1,0,0]=3 1561 B11R1.166 [13CH3]C(=O)c1ccc(cc1I)Cl 1458a_100000739380_200025704644 [0,2,0,0,0,0|1,0,0]=3 1562 B11R1.166 [13CH3]C(=O)c1ccc(cc1I)F 1458a_100000739341_200025704644 [0,2,0,0,0,0|1,0,0]=3 1563 B11R1.166 [13CH3]C(=O)c1ccc(cc1O)Br 1458a_100000744433_200025704644 [0,2,0,0,0,0|1,0,0]=3 1564 B11R1.166 [13CH3]C(=O)c1ccc(cc1O)Cl 1458a_100000188622_200025704644 [0,2,0,0,0,0|1,0,0]=3 1565 B11R1.166 [13CH3]C(=O)c1ccc(cc1O)F 1458a_100000746061_200025704644 [0,2,0,0,0,0|1,0,0]=3 1566 B11R1.166 [13CH3]C(=O)c1ccc(cc1O)I 1458a_100000091984_200025704644 [0,2,0,0,0,0|1,0,0]=3 1567 B11R1.166 [13CH3]C(=O)c1ccc(cc1O)O 1458a_100000212172_200025704644 [0,2,0,0,0,0|1,0,0]=3 1568 B11R1.7 CC(C)(O[13CH3])c1ccccc1 7a_100000694644_200025704644 [0,2,0,0,0,0|1,0,1]=4 1569 B11R1.7 CNS(=O)(=O)c1ccccc1 270084a_100102657272_100000210345 [0,2,0,0,0,0|1,0,1]=4 1570 B11R1.7 CNS(=O)(=O)c1ccccc1 274078a_100102657272_100000210345 [0,2,0,0,0,0|1,0,1]=4 1571 B11R1.7 CNS(=O)(=O)c1ccccc1 40a_100102657272_100000032697 [0,2,0,0,0,0|1,0,1]=4 1572 B11R1.7 COC(C)(C)c1ccccc1 7a_100000694644_200000210301 [0,2,0,0,0,0|1,0,1]=4 1573 B11R1.12 C#CC(OC)c1ccccc1 34a_100011219616_200000210301 [0,2,0,0,0,0|1,0,1]=4 1574 B11R1.12 C#CC(OC)c1ccccc1 7a_100011219616_200000210301 [0,2,0,0,0,0|1,0,1]=4 1575 B11R1.12 C#CC(O[13CH3])c1ccccc1 34a_100011219616_200025704644 [0,2,0,0,0,0|1,0,1]=4 1576 B11R1.12 C#CC(O[13CH3])c1ccccc1 7a_100011219616_200025704644 [0,2,0,0,0,0|1,0,1]=4 1577 B11R1.12 C=CC(OC)c1ccccc1 34a_100011215659_200000210301 [0,2,0,0,0,0|1,0,1]=4 1578 B11R1.12 C=CC(OC)c1ccccc1 7a_100011215659_200000210301 [0,2,0,0,0,0|1,0,1]=4 1579 B11R1.12 C=CC(O[13CH3])c1ccccc1 34a_100011215659_200025704644 [0,2,0,0,0,0|1,0,1]=4 1580 B11R1.12 C=CC(O[13CH3])c1ccccc1 7a_100011215659_200025704644 [0,2,0,0,0,0|1,0,1]=4 1581 B11R1.12 CCC(OC)c1ccccc1 34a_100000698172_200000210301 [0,2,0,0,0,0|1,0,1]=4 1582 B11R1.12 CCC(OC)c1ccccc1 7a_100000698172_200000210301 [0,2,0,0,0,0|1,0,1]=4 1583 B11R1.12 CCC(O[13CH3])c1ccccc1 34a_100000698172_200025704644 [0,2,0,0,0,0|1,0,1]=4 1584 B11R1.12 CCC(O[13CH3])c1ccccc1 7a_100000698172_200025704644 [0,2,0,0,0,0|1,0,1]=4 1585 B11R1.12 CN[C@H](CO)c1ccccc1 2230a_100000751927_200000210301 [0,2,0,0,0,0|1,0,1]=4 1586 B11R1.12 CN[C@H](CO)c1ccccc1 34a_100000751927_200000210301 [0,2,0,0,0,0|1,0,1]=4 1587 B11R1.12 COC(C#N)c1ccccc1 7a_100011217353_200000210301 [0,2,0,0,0,0|1,0,1]=4 1588 B11R1.12 COC(CBr)c1ccccc1 7a_100000185958_200000210301 [0,2,0,0,0,0|1,0,1]=4 1589 B11R1.12 COC(CN)c1ccccc1 34a_100000210709_200000210301 [0,2,0,0,0,0|1,0,1]=4 1590 B11R1.12 CO[C@H](CCl)c1ccccc1 34a_100011933945_200000210301 [0,2,0,0,0,0|1,0,1]=4 1591 B11R1.12 CO[C@H](CCl)c1ccccc1 7a_100011933945_200000210301 [0,2,0,0,0,0|1,0,1]=4 1592 B11R1.12 [13CH3]N[C@H](CO)c1ccccc1 2230a_100000751927_200025704644 [0,2,0,0,0,0|1,0,1]=4 1593 B11R1.12 [13CH3]N[C@H](CO)c1ccccc1 34a_100000751927_200025704644 [0,2,0,0,0,0|1,0,1]=4 1594 B11R1.12 [13CH3]OC(C#N)c1ccccc1 7a_100011217353_200025704644 [0,2,0,0,0,0|1,0,1]=4 1595 B11R1.12 [13CH3]OC(CBr)c1ccccc1 7a_100000185958_200025704644 [0,2,0,0,0,0|1,0,1]=4 1596 B11R1.12 [13CH3]OC(CN)c1ccccc1 34a_100000210709_200025704644 [0,2,0,0,0,0|1,0,1]=4 1597 B11R1.12 [13CH3]O[C@H](CCl)c1ccccc1 34a_100011933945_200025704644 [0,2,0,0,0,0|1,0,1]=4 1598 B11R1.12 [13CH3]O[C@H](CCl)c1ccccc1 7a_100011933945_200025704644 [0,2,0,0,0,0|1,0,1]=4 1599 B11R1.16 C#CCC(=O)c1ccccc1 1458a_100000185807_100000184674 [0,2,0,0,0,0|1,0,0]=3 1600 B11R1.16 C=CCC(=O)c1ccccc1 1458a_100000185807_100000210623 [0,2,0,0,0,0|1,0,0]=3 1601 B11R1.16 CC(CO[13CH3])c1ccccc1 34a_100011215166_200025704644 [0,2,0,0,0,0|1,0,1]=4 1602 B11R1.16 CC(CO[13CH3])c1ccccc1 7a_100011215166_200025704644 [0,2,0,0,0,0|1,0,1]=4 1603 B11R1.16 CCCC(=O)c1ccccc1 1458a_100000185807_100000210303 [0,2,0,0,0,0|1,0,0]=3 1604 B11R1.16 CCNC(=O)c1ccccc1 11a_100015525214_100000185807 [0,2,0,0,0,0|1,0,0]=3 1605 B11R1.16 CCNC(=O)c1ccccc1 240690a_100015525214_100000185807 [0,2,0,0,0,0|1,0,0]=3 1606 B11R1.16 CCNC(=O)c1ccccc1 527a_100015525214_100000185807 [0,2,0,0,0,0|1,0,0]=3 1607 B11R1.16 CCOC(C)c1ccccc1 34a_100121572206_100000211855 [0,2,0,0,0,0|1,0,1]=4 1608 B11R1.16 CCO[C@H](C)c1ccccc1 34a_100000761318_100000210202 [0,2,0,0,0,0|1,0,1]=4 1609 B11R1.16 CCO[C@H](C)c1ccccc1 7a_100000761318_100000210202 [0,2,0,0,0,0|1,0,1]=4 1610 B11R1.16 CN(CC=O)c1ccccc1 2230a_100000210012_200015260668 [0,2,0,0,0,0|2,0,0]=4 1611 B11R1.16 CN(CC=O)c1ccccc1 269982a_100000210012_200015260668 [0,2,0,0,0,0|2,0,0]=4 1612 B11R1.16 CN(CC=O)c1ccccc1 34a_100000210012_200009817547 [0,2,0,0,0,0|2,0,0]=4 1613 B11R1.16 CN(CCO)c1ccccc1 2230a_100000210012_100000211926 [0,2,0,0,0,0|2,0,0]=4 1614 B11R1.16 CN(CCO)c1ccccc1 2230a_100000211345_200000210301 [0,2,0,0,0,0|2,0,0]=4 1615 B11R1.16 CN(CCO)c1ccccc1 269982a_100000210012_100000211926 [0,2,0,0,0,0|2,0,0]=4 1616 B11R1.16 CN(CCO)c1ccccc1 269982a_100000211345_200000210301 [0,2,0,0,0,0|2,0,0]=4 1617 B11R1.16 CN(CCO)c1ccccc1 34a_100000210012_100000211926 [0,2,0,0,0,0|2,0,0]=4 1618 B11R1.16 CN(CCO)c1ccccc1 34a_100000211345_200000210301 [0,2,0,0,0,0|2,0,0]=4 1619 B11R1.16 CNCC(=O)c1ccccc1 7a_106832991635_100000211460 [0,2,0,0,0,0|1,0,0]=3 1620 B11R1.16 CNCC(=O)c1ccccn1 34a_100102657272_100000027445 [0,2,0,0,0,0|2,0,0]=4 1621 B11R1.16 CNCC(=O)c1ccccn1 7a_106832991635_100000027445 [0,2,0,0,0,0|2,0,0]=4 1622 B11R1.16 CNCC(=O)c1ccncc1 7a_106832991635_100015248511 [0,2,0,0,0,0|2,0,0]=4 1623 B11R1.16 CNCC(O)c1ccccc1 2230a_100000210709_200000210301 [0,2,0,0,0,0|1,0,1]=4 1624 B11R1.16 CNCC(O)c1ccccc1 2230a_106832991635_100000185958 [0,2,0,0,0,0|1,0,1]=4 1625 B11R1.16 CNCC(O)c1ccccc1 34a_100102657272_100000185958 [0,2,0,0,0,0|1,0,1]=4 1626 B11R1.16 CNCC(O)c1ccccc1 7a_106832991635_100000185958 [0,2,0,0,0,0|1,0,1]=4 1627 B11R1.16 CNC[C@@H](O)c1ccccc1 2230a_106832991635_100011933945 [0,2,0,0,0,0|1,0,1]=4 1628 B11R1.16 CNC[C@@H](O)c1ccccc1 34a_100102657272_100011933945 [0,2,0,0,0,0|1,0,1]=4 1629 B11R1.16 CNC[C@@H](O)c1ccccc1 7a_106832991635_100011933945 [0,2,0,0,0,0|1,0,1]=4 1630 B11R1.16 CNNC(=O)c1ccccc1 22a_100016993582_100000185807 [0,2,0,0,0,0|1,0,0]=3 1631 B11R1.16 COCC(=O)c1ccccn1 34a_100138415774_100000027445 [0,2,0,0,0,0|1,0,0]=3 1632 B11R1.16 COCC(C)c1ccccc1 34a_100011215166_200000210301 [0,2,0,0,0,0|1,0,1]=4 1633 B11R1.16 COCC(C)c1ccccc1 34a_100138415774_100000756946 [0,2,0,0,0,0|1,0,1]=4 1634 B11R1.16 COCC(C)c1ccccc1 7a_100011215166_200000210301 [0,2,0,0,0,0|1,0,1]=4 1635 B11R1.16 COCC(O)c1ccccc1 34a_100138415774_100000185958 [0,2,0,0,0,0|0,0,2]=4 1636 B11R1.16 COCN(C)c1ccccc1 2230a_100000210012_100000766300 [0,2,0,0,0,0|2,0,0]=4 1637 B11R1.16 COCN(C)c1ccccc1 269982a_100000210012_100000766300 [0,2,0,0,0,0|2,0,0]=4 1638 B11R1.16 COC[C@@H](N)c1ccccc1 34a_100000751927_200000210301 [0,2,0,0,0,0|1,0,1]=4 1639 B11R1.16 COC[C@@H](O)c1ccccc1 34a_100138415774_100011933945 [0,2,0,0,0,0|0,0,2]=4 1640 B11R1.16 CSCC(=O)c1ccccc1 62a_100000211460_200000210301 [0,2,0,0,0,0|0,1,0]=3 1641 B11R1.16 CSCC(=O)c1ccccc1 62a_200000210301_100000211460 [0,2,0,0,0,0|0,1,0]=3 1642 B11R1.16 CSCC(=O)c1ccccn1 62a_100000027445_200000210301 [0,2,0,0,0,0|1,1,0]=4 1643 B11R1.16 CSCC(=O)c1ccccn1 62a_200000210301_100000027445 [0,2,0,0,0,0|1,1,0]=4 1644 B11R1.16 CSCC(=O)c1cccnc1 62a_100000757877_200000210301 [0,2,0,0,0,0|1,1,0]=4 1645 B11R1.16 CSCC(=O)c1cccnc1 62a_200000210301_100000757877 [0,2,0,0,0,0|1,1,0]=4 1646 B11R1.16 CSCC(=O)c1ccncc1 62a_100000027454_200000210301 [0,2,0,0,0,0|1,1,0]=4 1647 B11R1.16 CSCC(=O)c1ccncc1 62a_200000210301_100000027454 [0,2,0,0,0,0|1,1,0]=4 1648 B11R1.16 CSCC(O)c1ccccc1 62a_100000185958_200000210301 [0,2,0,0,0,0|0,1,1]=4 1649 B11R1.16 CSCC(O)c1ccccc1 62a_200000210301_100000185958 [0,2,0,0,0,0|0,1,1]=4 1650 B11R1.16 CSCS(=O)c1ccccc1 62a_200000210301_100000031784 [0,2,0,0,0,0|1,1,0]=4 1651 B11R1.16 CSC[C@@H](O)c1ccccc1 62a_100011933945_200000210301 [0,2,0,0,0,0|0,1,1]=4 1652 B11R1.16 CSC[C@@H](O)c1ccccc1 62a_200000210301_100011933945 [0,2,0,0,0,0|0,1,1]=4 1653 B11R1.16 C[C@@H](OCF)c1ccccc1 34a_100000761318_100015361967 [0,2,0,0,0,0|1,0,1]=4 1654 B11R1.16 C[C@@H](OCF)c1ccccc1 7a_100000761318_100015361967 [0,2,0,0,0,0|1,0,1]=4 1655 B11R1.16 N#CCC(=O)c1ccccc1 1458a_100000185807_100011214920 [0,2,0,0,0,0|1,0,0]=3 1656 B11R1.16 O=C(CCF)c1ccccc1 1458a_100000185807_100011217306 [0,2,0,0,0,0|1,0,0]=3 1657 B11R1.16 O=C(CCO)c1ccccc1 1458a_100000185807_100000211926 [0,2,0,0,0,0|0,0,0]=2 1658 B11R1.16 [13CH3]N(CCO)c1ccccc1 2230a_100000211345_200025704644 [0,2,0,0,0,0|2,0,0]=4 1659 B11R1.16 [13CH3]N(CCO)c1ccccc1 269982a_100000211345_200025704644 [0,2,0,0,0,0|2,0,0]=4 1660 B11R1.16 [13CH3]N(CCO)c1ccccc1 34a_100000211345_200025704644 [0,2,0,0,0,0|2,0,0]=4 1661 B11R1.16 [13CH3]NCC(O)c1ccccc1 2230a_100000210709_200025704644 [0,2,0,0,0,0|1,0,1]=4 1662 B11R1.16 [13CH3]OC[C@@H](N)c1ccccc1 34a_100000751927_200025704644 [0,2,0,0,0,0|1,0,1]=4 1663 B11R1.16 [13CH3]SCC(=O)c1ccccc1 62a_100000211460_200025704644 [0,2,0,0,0,0|0,1,0]=3 1664 B11R1.16 [13CH3]SCC(=O)c1ccccc1 62a_200025704644_100000211460 [0,2,0,0,0,0|0,1,0]=3 1665 B11R1.16 [13CH3]SCC(=O)c1ccccn1 62a_100000027445_200025704644 [0,2,0,0,0,0|1,1,0]=4 1666 B11R1.16 [13CH3]SCC(=O)c1ccccn1 62a_200025704644_100000027445 [0,2,0,0,0,0|1,1,0]=4 1667 B11R1.16 [13CH3]SCC(=O)c1cccnc1 62a_100000757877_200025704644 [0,2,0,0,0,0|1,1,0]=4 1668 B11R1.16 [13CH3]SCC(=O)c1cccnc1 62a_200025704644_100000757877 [0,2,0,0,0,0|1,1,0]=4 1669 B11R1.16 [13CH3]SCC(=O)c1ccncc1 62a_100000027454_200025704644 [0,2,0,0,0,0|1,1,0]=4 1670 B11R1.16 [13CH3]SCC(=O)c1ccncc1 62a_200025704644_100000027454 [0,2,0,0,0,0|1,1,0]=4 1671 B11R1.16 [13CH3]SCC(O)c1ccccc1 62a_100000185958_200025704644 [0,2,0,0,0,0|0,1,1]=4 1672 B11R1.16 [13CH3]SCC(O)c1ccccc1 62a_200025704644_100000185958 [0,2,0,0,0,0|0,1,1]=4 1673 B11R1.16 [13CH3]SCS(=O)c1ccccc1 62a_200025704644_100000031784 [0,2,0,0,0,0|1,1,0]=4 1674 B11R1.16 [13CH3]SC[C@@H](O)c1ccccc1 62a_100011933945_200025704644 [0,2,0,0,0,0|0,1,1]=4 1675 B11R1.16 [13CH3]SC[C@@H](O)c1ccccc1 62a_200025704644_100011933945 [0,2,0,0,0,0|0,1,1]=4 1676 B11R1.23 CC(O[13CH3])c1cccc(c1)Br 34a_100000246457_200025704644 [0,2,0,0,0,0|1,0,1]=4 1677 B11R1.23 CC(O[13CH3])c1cccc(c1)Br 7a_100000246457_200025704644 [0,2,0,0,0,0|1,0,1]=4 1678 B11R1.23 CC(O[13CH3])c1cccc(c1)F 34a_100000744526_200025704644 [0,2,0,0,0,0|1,0,1]=4 1679 B11R1.23 CC(O[13CH3])c1cccc(c1)F 7a_100000744526_200025704644 [0,2,0,0,0,0|1,0,1]=4 1680 B11R1.23 CC(O[13CH3])c1cccc(c1)I 34a_100013085317_200025704644 [0,2,0,0,0,0|1,0,1]=4 1681 B11R1.23 CC(O[13CH3])c1cccc(c1)I 7a_100013085317_200025704644 [0,2,0,0,0,0|1,0,1]=4 1682 B11R1.23 CC(O[13CH3])c1cccc(c1)N 34a_100011217120_200025704644 [0,2,0,0,0,0|1,0,1]=4 1683 B11R1.23 CC(O[13CH3])c1cccc(c1)N 7a_100011217120_200025704644 [0,2,0,0,0,0|1,0,1]=4 1684 B11R1.23 CCC(=O)c1cc(ccn1)O 271570a_203496583355_200000094848 [0,2,0,0,0,0|2,0,0]=4 1685 B11R1.23 CCC(=O)c1cccc(c1)Br 1458a_100000210664_100000210202 [0,2,0,0,0,0|1,0,0]=3 1686 B11R1.23 CCC(=O)c1cccc(c1)C 1458a_100000189346_100000210202 [0,2,0,0,0,0|1,0,0]=3 1687 B11R1.23 CCC(=O)c1cccc(c1)Cl 1458a_100000210390_100000210202 [0,2,0,0,0,0|1,0,0]=3 1688 B11R1.23 CCC(=O)c1cccc(c1)F 1458a_100000210950_100000210202 [0,2,0,0,0,0|1,0,0]=3 1689 B11R1.23 CCC(=O)c1cccc(c1)I 1458a_100000184098_100000210202 [0,2,0,0,0,0|1,0,0]=3 1690 B11R1.23 CCC(=O)c1cccc(c1)O 1458a_100000183914_100000210202 [0,2,0,0,0,0|1,0,0]=3 1691 B11R1.23 CCC(=O)c1cccc(c1)O 271570a_203496583355_100000211677 [0,2,0,0,0,0|1,0,0]=3 1692 B11R1.23 CCC(=O)c1cccc(n1)O 271570a_203496583355_100011004013 [0,2,0,0,0,0|2,0,0]=4 1693 B11R1.23 CCC(O)c1cccc(c1)O 271570a_203496583355_200013212081 [0,2,0,0,0,0|1,0,1]=4 1694 B11R1.23 CNC(=O)c1cc(ccn1)O 271570a_203496583355_100000204654 [0,2,0,0,0,0|2,0,0]=4 1695 B11R1.23 CNC(=O)c1cccc(c1)Br 11a_106832991635_100000210664 [0,2,0,0,0,0|1,0,0]=3 1696 B11R1.23 CNC(=O)c1cccc(c1)Br 1626a_100102657272_100000210664 [0,2,0,0,0,0|1,0,0]=3 1697 B11R1.23 CNC(=O)c1cccc(c1)Br 240690a_100102657272_100000210664 [0,2,0,0,0,0|1,0,0]=3 1698 B11R1.23 CNC(=O)c1cccc(c1)Br 527a_100102657272_100000210664 [0,2,0,0,0,0|1,0,0]=3 1699 B11R1.23 CNC(=O)c1cccc(c1)C 11a_106832991635_100000189346 [0,2,0,0,0,0|1,0,0]=3 1700 B11R1.23 CNC(=O)c1cccc(c1)C 1626a_100102657272_100000189346 [0,2,0,0,0,0|1,0,0]=3 1701 B11R1.23 CNC(=O)c1cccc(c1)C 240690a_100102657272_100000189346 [0,2,0,0,0,0|1,0,0]=3 1702 B11R1.23 CNC(=O)c1cccc(c1)C 527a_100102657272_100000189346 [0,2,0,0,0,0|1,0,0]=3 1703 B11R1.23 CNC(=O)c1cccc(c1)Cl 11a_106832991635_100000210390 [0,2,0,0,0,0|1,0,0]=3 1704 B11R1.23 CNC(=O)c1cccc(c1)Cl 1626a_100102657272_100000210390 [0,2,0,0,0,0|1,0,0]=3 1705 B11R1.23 CNC(=O)c1cccc(c1)Cl 240690a_100102657272_100000210390 [0,2,0,0,0,0|1,0,0]=3 1706 B11R1.23 CNC(=O)c1cccc(c1)Cl 527a_100102657272_100000210390 [0,2,0,0,0,0|1,0,0]=3 1707 B11R1.23 CNC(=O)c1cccc(c1)F 11a_106832991635_100000210950 [0,2,0,0,0,0|1,0,0]=3 1708 B11R1.23 CNC(=O)c1cccc(c1)F 1626a_100102657272_100000210950 [0,2,0,0,0,0|1,0,0]=3 1709 B11R1.23 CNC(=O)c1cccc(c1)F 240690a_100102657272_100000210950 [0,2,0,0,0,0|1,0,0]=3 1710 B11R1.23 CNC(=O)c1cccc(c1)F 527a_100102657272_100000210950 [0,2,0,0,0,0|1,0,0]=3 1711 B11R1.23 CNC(=O)c1cccc(c1)I 11a_106832991635_100000184098 [0,2,0,0,0,0|1,0,0]=3 1712 B11R1.23 CNC(=O)c1cccc(c1)I 1626a_100102657272_100000184098 [0,2,0,0,0,0|1,0,0]=3 1713 B11R1.23 CNC(=O)c1cccc(c1)I 240690a_100102657272_100000184098 [0,2,0,0,0,0|1,0,0]=3 1714 B11R1.23 CNC(=O)c1cccc(c1)I 527a_100102657272_100000184098 [0,2,0,0,0,0|1,0,0]=3 1715 B11R1.23 CNC(=O)c1cccc(c1)O 240690a_100102657272_100000183914 [0,2,0,0,0,0|1,0,0]=3 1716 B11R1.23 CNC(=O)c1cccc(c1)O 271570a_203496583355_100000155082 [0,2,0,0,0,0|1,0,0]=3 1717 B11R1.23 CNC(=O)c1cccc(c1)O 527a_100102657272_100000183914 [0,2,0,0,0,0|1,0,0]=3 1718 B11R1.23 CNC(=O)c1cccc(n1)O 271570a_203496583355_100000755456 [0,2,0,0,0,0|2,0,0]=4 1719 B11R1.23 CNC(=O)c1ccnc(c1)O 271570a_203496583355_100011196506 [0,2,0,0,0,0|2,0,0]=4 1720 B11R1.23 CNC(=O)c1cncc(c1)O 271570a_203496583355_200000155086 [0,2,0,0,0,0|2,0,0]=4 1721 B11R1.23 COC(=O)c1cc(ccn1)O 271570a_203496583355_100000693414 [0,2,0,0,0,0|1,0,0]=3 1722 B11R1.23 COC(=O)c1cc(ncn1)O 271570a_203496583355_100000051410 [0,2,0,0,0,0|2,0,0]=4 1723 B11R1.23 COC(=O)c1cccc(c1)O 271570a_203496583355_100000148679 [0,2,0,0,0,0|0,0,0]=2 1724 B11R1.23 COC(=O)c1cccc(n1)O 271570a_203496583355_100000708286 [0,2,0,0,0,0|1,0,0]=3 1725 B11R1.23 COC(=O)c1ccnc(c1)O 271570a_203496583355_100011934382 [0,2,0,0,0,0|1,0,0]=3 1726 B11R1.23 COC(=O)c1ccnc(n1)O 271570a_203496583355_100000070389 [0,2,0,0,0,0|2,0,0]=4 1727 B11R1.23 COC(=O)c1cncc(c1)O 271570a_203496583355_100000148912 [0,2,0,0,0,0|1,0,0]=3 1728 B11R1.23 COC(=O)c1cncc(n1)O 271570a_203496583355_100000765340 [0,2,0,0,0,0|2,0,0]=4 1729 B11R1.23 COC(=O)c1cnnc(c1)O 271570a_203496583355_100009862058 [0,2,0,0,0,0|2,0,0]=4 1730 B11R1.23 COC(C)c1cccc(c1)Br 34a_100000246457_200000210301 [0,2,0,0,0,0|1,0,1]=4 1731 B11R1.23 COC(C)c1cccc(c1)Br 7a_100000246457_200000210301 [0,2,0,0,0,0|1,0,1]=4 1732 B11R1.23 COC(C)c1cccc(c1)C 34a_100000757818_200000210301 [0,2,0,0,0,0|1,0,1]=4 1733 B11R1.23 COC(C)c1cccc(c1)C 7a_100000757818_200000210301 [0,2,0,0,0,0|1,0,1]=4 1734 B11R1.23 COC(C)c1cccc(c1)F 34a_100000744526_200000210301 [0,2,0,0,0,0|1,0,1]=4 1735 B11R1.23 COC(C)c1cccc(c1)F 7a_100000744526_200000210301 [0,2,0,0,0,0|1,0,1]=4 1736 B11R1.23 COC(C)c1cccc(c1)I 34a_100013085317_200000210301 [0,2,0,0,0,0|1,0,1]=4 1737 B11R1.23 COC(C)c1cccc(c1)I 7a_100013085317_200000210301 [0,2,0,0,0,0|1,0,1]=4 1738 B11R1.23 COC(C)c1cccc(c1)N 34a_100011217120_200000210301 [0,2,0,0,0,0|1,0,1]=4 1739 B11R1.23 COC(C)c1cccc(c1)N 7a_100011217120_200000210301 [0,2,0,0,0,0|1,0,1]=4 1740 B11R1.23 CO[C@H](C)c1cccc(c1)Cl 34a_100000747380_200000210301 [0,2,0,0,0,0|1,0,1]=4 1741 B11R1.23 CO[C@H](C)c1cccc(c1)Cl 7a_100000747380_200000210301 [0,2,0,0,0,0|1,0,1]=4 1742 B11R1.23 C[C@@H](O[13CH3])c1cccc(c1)Cl 34a_100000747380_200025704644 [0,2,0,0,0,0|1,0,1]=4 1743 B11R1.23 C[C@@H](O[13CH3])c1cccc(c1)Cl 7a_100000747380_200025704644 [0,2,0,0,0,0|1,0,1]=4 1744 B11R1.23 Cc1cccc(c1)C(=O)CF 1458a_100000189346_100015361967 [0,2,0,0,0,0|1,0,0]=3 1745 B11R1.23 Cc1cccc(c1)C(C)O[13CH3] 34a_100000757818_200025704644 [0,2,0,0,0,0|1,0,1]=4 1746 B11R1.23 Cc1cccc(c1)C(C)O[13CH3] 7a_100000757818_200025704644 [0,2,0,0,0,0|1,0,1]=4 1747 B11R1.23 N#CC(=O)c1cccc(c1)O 271570a_203496583355_100010169886 [0,2,0,0,0,0|1,0,0]=3 1748 B11R1.23 NC(CO)c1cccc(c1)O 271570a_203496583355_100000690078 [0,2,0,0,0,0|1,0,1]=4 1749 B11R1.23 NCC(=O)c1cccc(c1)O 271570a_203496583355_100020587001 [0,2,0,0,0,0|1,0,0]=3 1750 B11R1.23 NNC(=O)c1cc(ccn1)O 271570a_203496583355_100000017052 [0,2,0,0,0,0|2,0,0]=4 1751 B11R1.23 NNC(=O)c1cccc(c1)O 271570a_203496583355_100000189783 [0,2,0,0,0,0|1,0,0]=3 1752 B11R1.23 NNC(=O)c1cccc(n1)O 271570a_203496583355_100011631096 [0,2,0,0,0,0|2,0,0]=4 1753 B11R1.23 NNC(=O)c1ccnc(c1)O 271570a_203496583355_100000021280 [0,2,0,0,0,0|2,0,0]=4 1754 B11R1.23 NNC(=O)c1cncc(c1)O 271570a_203496583355_100000189809 [0,2,0,0,0,0|2,0,0]=4 1755 B11R1.23 O=C(CF)c1cccc(c1)Br 1458a_100000210664_100015361967 [0,2,0,0,0,0|1,0,0]=3 1756 B11R1.23 O=C(CF)c1cccc(c1)Cl 1458a_100000210390_100015361967 [0,2,0,0,0,0|1,0,0]=3 1757 B11R1.23 O=C(CF)c1cccc(c1)F 1458a_100000210950_100015361967 [0,2,0,0,0,0|1,0,0]=3 1758 B11R1.23 O=C(CF)c1cccc(c1)I 1458a_100000184098_100015361967 [0,2,0,0,0,0|1,0,0]=3 1759 B11R1.23 O=C(CF)c1cccc(c1)O 1458a_100000183914_100015361967 [0,2,0,0,0,0|1,0,0]=3 1760 B11R1.23 O=CC(=O)c1cccc(c1)O 271570a_203496583355_100000726164 [0,2,0,0,0,0|0,0,1]=3 1761 B11R1.222 CC(O[13CH3])c1ccccc1Br 34a_100000702211_200025704644 [0,2,0,0,0,0|1,0,1]=4 1762 B11R1.222 CC(O[13CH3])c1ccccc1Br 7a_100000702211_200025704644 [0,2,0,0,0,0|1,0,1]=4 1763 B11R1.222 CC(O[13CH3])c1ccccc1Cl 34a_100000740796_200025704644 [0,2,0,0,0,0|1,0,1]=4 1764 B11R1.222 CC(O[13CH3])c1ccccc1Cl 7a_100000740796_200025704644 [0,2,0,0,0,0|1,0,1]=4 1765 B11R1.222 CC(O[13CH3])c1ccccc1F 34a_100000697922_200025704644 [0,2,0,0,0,0|1,0,1]=4 1766 B11R1.222 CC(O[13CH3])c1ccccc1F 7a_100000697922_200025704644 [0,2,0,0,0,0|1,0,1]=4 1767 B11R1.222 CC(O[13CH3])c1ccccc1N 7a_100011405641_200025704644 [0,2,0,0,0,0|1,0,1]=4 1768 B11R1.222 CCC(=O)c1ccccc1Br 1458a_100000188424_100000210202 [0,2,0,0,0,0|1,0,0]=3 1769 B11R1.222 CCC(=O)c1ccccc1C 1458a_100000212026_100000210202 [0,2,0,0,0,0|1,0,0]=3 1770 B11R1.222 CCC(=O)c1ccccc1Cl 1458a_100000185844_100000210202 [0,2,0,0,0,0|1,0,0]=3 1771 B11R1.222 CCC(=O)c1ccccc1F 1458a_100000188656_100000210202 [0,2,0,0,0,0|1,0,0]=3 1772 B11R1.222 CCC(=O)c1ccccc1I 1458a_100000187884_100000210202 [0,2,0,0,0,0|1,0,0]=3 1773 B11R1.222 CCC(=O)c1ccccc1O 1458a_100015234032_100000210202 [0,2,0,0,0,0|1,0,0]=3 1774 B11R1.222 CCC(=O)c1ccccc1[O-] 1458a_100009911694_100000210202 [0,2,0,0,0,0|1,0,0]=3 1775 B11R1.222 CNC(=O)c1ccccc1Br 11a_106832991635_100000188424 [0,2,0,0,0,0|1,0,0]=3 1776 B11R1.222 CNC(=O)c1ccccc1Br 1626a_100102657272_100000188424 [0,2,0,0,0,0|1,0,0]=3 1777 B11R1.222 CNC(=O)c1ccccc1Br 240690a_100102657272_100000188424 [0,2,0,0,0,0|1,0,0]=3 1778 B11R1.222 CNC(=O)c1ccccc1Br 527a_100102657272_100000188424 [0,2,0,0,0,0|1,0,0]=3 1779 B11R1.222 CNC(=O)c1ccccc1C 11a_106832991635_100000212026 [0,2,0,0,0,0|1,0,0]=3 1780 B11R1.222 CNC(=O)c1ccccc1C 1626a_100102657272_100000212026 [0,2,0,0,0,0|1,0,0]=3 1781 B11R1.222 CNC(=O)c1ccccc1C 240690a_100102657272_100000212026 [0,2,0,0,0,0|1,0,0]=3 1782 B11R1.222 CNC(=O)c1ccccc1C 527a_100102657272_100000212026 [0,2,0,0,0,0|1,0,0]=3 1783 B11R1.222 CNC(=O)c1ccccc1Cl 11a_106832991635_100000185844 [0,2,0,0,0,0|1,0,0]=3 1784 B11R1.222 CNC(=O)c1ccccc1Cl 1626a_100102657272_100000185844 [0,2,0,0,0,0|1,0,0]=3 1785 B11R1.222 CNC(=O)c1ccccc1Cl 240690a_100102657272_100000185844 [0,2,0,0,0,0|1,0,0]=3 1786 B11R1.222 CNC(=O)c1ccccc1Cl 527a_100102657272_100000185844 [0,2,0,0,0,0|1,0,0]=3 1787 B11R1.222 CNC(=O)c1ccccc1F 11a_106832991635_100000188656 [0,2,0,0,0,0|1,0,0]=3 1788 B11R1.222 CNC(=O)c1ccccc1F 1626a_100102657272_100000188656 [0,2,0,0,0,0|1,0,0]=3 1789 B11R1.222 CNC(=O)c1ccccc1F 240690a_100102657272_100000188656 [0,2,0,0,0,0|1,0,0]=3 1790 B11R1.222 CNC(=O)c1ccccc1F 527a_100102657272_100000188656 [0,2,0,0,0,0|1,0,0]=3 1791 B11R1.222 CNC(=O)c1ccccc1I 11a_106832991635_100000187884 [0,2,0,0,0,0|1,0,0]=3 1792 B11R1.222 CNC(=O)c1ccccc1I 1626a_100102657272_100000187884 [0,2,0,0,0,0|1,0,0]=3 1793 B11R1.222 CNC(=O)c1ccccc1I 240690a_100102657272_100000187884 [0,2,0,0,0,0|1,0,0]=3 1794 B11R1.222 CNC(=O)c1ccccc1I 527a_100102657272_100000187884 [0,2,0,0,0,0|1,0,0]=3 1795 B11R1.222 CNC(=O)c1ccccc1O 240690a_100102657272_100015234032 [0,2,0,0,0,0|1,0,0]=3 1796 B11R1.222 CNC(=O)c1ccccc1O 271570a_203496583355_100000155073 [0,2,0,0,0,0|1,0,0]=3 1797 B11R1.222 CNC(=O)c1ccccc1[O-] 1626a_100102657272_100009911694 [0,2,0,0,0,0|1,0,0]=3 1798 B11R1.222 CNC(=O)c1ccccc1[O-] 240690a_100102657272_100009911694 [0,2,0,0,0,0|1,0,0]=3 1799 B11R1.222 CNC(=O)c1ccccc1[O-] 527a_100102657272_100009911694 [0,2,0,0,0,0|1,0,0]=3 1800 B11R1.222 CNC(=O)c1cccnc1O 271570a_203496583355_100000159833 [0,2,0,0,0,0|2,0,0]=4 1801 B11R1.222 COC(=O)c1ccccc1O 271570a_203496583355_100000148710 [0,2,0,0,0,0|0,0,0]=2 1802 B11R1.222 COC(=O)c1cccnc1O 271570a_203496583355_100000150852 [0,2,0,0,0,0|1,0,0]=3 1803 B11R1.222 COC(=O)c1ccncc1O 271570a_203496583355_100010008606 [0,2,0,0,0,0|1,0,0]=3 1804 B11R1.222 COC(=O)c1cnccc1O 271570a_203496583355_100020629055 [0,2,0,0,0,0|1,0,0]=3 1805 B11R1.222 COC(=O)c1cncnc1O 271570a_203496583355_100000726419 [0,2,0,0,0,0|2,0,0]=4 1806 B11R1.222 COC(=O)c1ncccc1O 271570a_203496583355_100011935214 [0,2,0,0,0,0|1,0,0]=3 1807 B11R1.222 COC(=O)c1nccnc1O 271570a_203496583355_100000688410 [0,2,0,0,0,0|2,0,0]=4 1808 B11R1.222 COC(=O)c1ncncc1O 271570a_203496583355_100012360100 [0,2,0,0,0,0|2,0,0]=4 1809 B11R1.222 COC(C)c1ccccc1Br 34a_100000702211_200000210301 [0,2,0,0,0,0|1,0,1]=4 1810 B11R1.222 COC(C)c1ccccc1Br 7a_100000702211_200000210301 [0,2,0,0,0,0|1,0,1]=4 1811 B11R1.222 COC(C)c1ccccc1C 34a_100000742021_200000210301 [0,2,0,0,0,0|1,0,1]=4 1812 B11R1.222 COC(C)c1ccccc1C 7a_100000742021_200000210301 [0,2,0,0,0,0|1,0,1]=4 1813 B11R1.222 COC(C)c1ccccc1Cl 34a_100000740796_200000210301 [0,2,0,0,0,0|1,0,1]=4 1814 B11R1.222 COC(C)c1ccccc1Cl 7a_100000740796_200000210301 [0,2,0,0,0,0|1,0,1]=4 1815 B11R1.222 COC(C)c1ccccc1F 34a_100000697922_200000210301 [0,2,0,0,0,0|1,0,1]=4 1816 B11R1.222 COC(C)c1ccccc1F 34a_100138415774_200000741388 [0,2,0,0,0,0|1,0,1]=4 1817 B11R1.222 COC(C)c1ccccc1F 7a_100000697922_200000210301 [0,2,0,0,0,0|1,0,1]=4 1818 B11R1.222 COC(C)c1ccccc1N 7a_100011405641_200000210301 [0,2,0,0,0,0|1,0,1]=4 1819 B11R1.222 Cc1ccccc1C(=O)CF 1458a_100000212026_100015361967 [0,2,0,0,0,0|1,0,0]=3 1820 B11R1.222 Cc1ccccc1C(C)O[13CH3] 34a_100000742021_200025704644 [0,2,0,0,0,0|1,0,1]=4 1821 B11R1.222 Cc1ccccc1C(C)O[13CH3] 7a_100000742021_200025704644 [0,2,0,0,0,0|1,0,1]=4 1822 B11R1.222 NCC(O)c1ccccc1O 271570a_203496583355_100011236429 [0,2,0,0,0,0|1,0,1]=4 1823 B11R1.222 NNC(=O)c1ccccc1O 271570a_203496583355_100000190081 [0,2,0,0,0,0|1,0,0]=3 1824 B11R1.222 N[C@H](CO)c1ccccc1O 271570a_203496583355_100161155918 [0,2,0,0,0,0|1,0,1]=4 1825 B11R1.222 O=C(CF)c1ccccc1Br 1458a_100000188424_100015361967 [0,2,0,0,0,0|1,0,0]=3 1826 B11R1.222 O=C(CF)c1ccccc1Cl 1458a_100000185844_100015361967 [0,2,0,0,0,0|1,0,0]=3 1827 B11R1.222 O=C(CF)c1ccccc1F 1458a_100000188656_100015361967 [0,2,0,0,0,0|1,0,0]=3 1828 B11R1.222 O=C(CF)c1ccccc1I 1458a_100000187884_100015361967 [0,2,0,0,0,0|1,0,0]=3 1829 B11R1.222 O=C(CF)c1ccccc1O 1458a_100015234032_100015361967 [0,2,0,0,0,0|1,0,0]=3 1830 B11R1.222 O=C(CF)c1ccccc1[O-] 1458a_100009911694_100015361967 [0,2,0,0,0,0|1,0,0]=3 1831 B11R1.87 CC(C)(O)c1ccccc1O 271570a_203496583355_100011346021 [0,2,0,0,0,0|1,0,1]=4 1832 B11R1.87 CS(=O)(=O)c1ccccc1O 271570a_203496583355_100000751929 [0,2,0,0,0,0|1,0,1]=4 1833 B11R1.87 NS(=O)(=O)c1ccccc1O 271570a_203496583355_100000735520 [0,2,0,0,0,0|1,0,1]=4 1834 B11R1.155 CC(C)(O)c1cccc(c1)O 271570a_203496583355_100011346009 [0,2,0,0,0,0|1,0,1]=4 1835 B11R1.155 CS(=O)(=O)c1cccc(c1)O 271570a_203496583355_100009815773 [0,2,0,0,0,0|1,0,1]=4 1836 B11R1.155 NS(=O)(=O)c1cccc(c1)O 271570a_203496583355_100000164563 [0,2,0,0,0,0|1,0,1]=4 1837 B11R1.53 C#Cc1ccccc1C(=O)C 1458a_100011243808_200000210301 [0,2,0,0,0,0|1,0,0]=3 1838 B11R1.53 C#Cc1ccccc1C(=O)[13CH3] 1458a_100011243808_200025704644 [0,2,0,0,0,0|1,0,0]=3 1839 B11R1.53 C=C(C)c1ccccc1C#N 271570a_100000694244_100000188569 [0,2,0,0,0,0|2,0,0]=4 1840 B11R1.53 C=C(C)c1ccccc1C=O 271570a_100000694244_100000211189 [0,2,0,0,0,0|2,0,0]=4 1841 B11R1.53 C=C(C)c1ccccc1CC 271570a_100000694244_100011215823 [0,2,0,0,0,0|2,0,0]=4 1842 B11R1.53 C=C(C)c1ccccc1CN 271570a_100000694244_100000689332 [0,2,0,0,0,0|2,0,0]=4 1843 B11R1.53 C=C(C)c1ccccc1CO 271570a_100000694244_100000187465 [0,2,0,0,0,0|2,0,0]=4 1844 B11R1.53 C=C(C)c1ccccc1NC 271570a_100000694244_100020606079 [0,2,0,0,0,0|2,0,0]=4 1845 B11R1.53 C=C(C)c1ccccc1NC 34a_100000037685_200000210301 [0,2,0,0,0,0|2,0,0]=4 1846 B11R1.53 C=C(C)c1ccccc1NN 271570a_100000694244_100000241748 [0,2,0,0,0,0|2,0,0]=4 1847 B11R1.53 C=C(C)c1ccccc1N[13CH3] 34a_100000037685_200025704644 [0,2,0,0,0,0|2,0,0]=4 1848 B11R1.53 C=C(C)c1ccccc1OC 271570a_100000694244_100000174000 [0,2,0,0,0,0|2,0,0]=4 1849 B11R1.53 C=C(C)c1ccccc1SC 271570a_100000694244_100011217816 [0,2,0,0,0,0|2,0,0]=4 1850 B11R1.53 C=Cc1ccccc1B(O)O 271570a_100011290941_100000693059 [0,2,0,0,0,0|1,0,1]=4 1851 B11R1.53 C=Cc1ccccc1C(=O)C 1458a_100011830265_200000210301 [0,2,0,0,0,0|1,0,0]=3 1852 B11R1.53 C=Cc1ccccc1C(=O)C 271570a_100011290941_100000751169 [0,2,0,0,0,0|1,0,0]=3 1853 B11R1.53 C=Cc1ccccc1C(=O)N 271570a_100011290941_100000162227 [0,2,0,0,0,0|1,0,0]=3 1854 B11R1.53 C=Cc1ccccc1C(=O)[13CH3] 1458a_100011830265_200025704644 [0,2,0,0,0,0|1,0,0]=3 1855 B11R1.53 C=Cc1ccccc1C(C)O 271570a_100011290941_100000702211 [0,2,0,0,0,0|1,0,1]=4 1856 B11R1.53 C=Cc1ccccc1S(=O)C 271570a_100011290941_100000734199 [0,2,0,0,0,0|2,0,0]=4 1857 B11R1.53 C=Cc1cccnc1C(=O)C 271570a_100011290941_100012348690 [0,2,0,0,0,0|2,0,0]=4 1858 B11R1.53 C=Cc1cccnc1C(=O)N 271570a_100011290941_200012359670 [0,2,0,0,0,0|2,0,0]=4 1859 B11R1.53 C=Cc1ccncc1C(=O)C 271570a_100011290941_100160469449 [0,2,0,0,0,0|2,0,0]=4 1860 B11R1.53 C=Cc1ccncc1C(=O)N 271570a_100011290941_100000697804 [0,2,0,0,0,0|2,0,0]=4 1861 B11R1.53 C=Cc1cnccc1C(=O)C 271570a_100011290941_100009993184 [0,2,0,0,0,0|2,0,0]=4 1862 B11R1.53 C=Cc1cnccc1C(=O)N 271570a_100011290941_100010205435 [0,2,0,0,0,0|2,0,0]=4 1863 B11R1.53 C=Cc1ncccc1C(=O)C 271570a_100011290941_100000753718 [0,2,0,0,0,0|2,0,0]=4 1864 B11R1.53 C=Cc1ncccc1C(=O)N 271570a_100011290941_100000162199 [0,2,0,0,0,0|2,0,0]=4 1865 B11R1.53 CC(=O)c1ccccc1C#N 1458a_100000742908_200000210301 [0,2,0,0,0,0|1,0,0]=3 1866 B11R1.53 CC(=O)c1ccccc1CO 1458a_100011301526_200000210301 [0,2,0,0,0,0|1,0,0]=3 1867 B11R1.53 CC(=O)c1ccccc1I=O 1458a_100000032414_200000210301 [0,2,0,0,0,0|1,0,0]=3 1868 B11R1.53 CC(=O)c1ccccc1S[13CH3] 62a_100000751169_200025704644 [0,2,0,0,0,0|1,0,0]=3 1869 B11R1.53 CC(=O)c1cccnc1S[13CH3] 62a_100000753718_200025704644 [0,2,0,0,0,0|2,0,0]=4 1870 B11R1.53 CC(=O)c1cccnc1S[13CH3] 62a_200025704644_100000753718 [0,2,0,0,0,0|2,0,0]=4 1871 B11R1.53 CC(=O)c1ccncc1O[13CH3] 7a_100009872882_200025704644 [0,2,0,0,0,0|2,0,0]=4 1872 B11R1.53 CC(=O)c1ccncc1S[13CH3] 62a_100009993184_200025704644 [0,2,0,0,0,0|2,0,0]=4 1873 B11R1.53 CC(=O)c1ccncc1S[13CH3] 62a_200025704644_100009993184 [0,2,0,0,0,0|2,0,0]=4 1874 B11R1.53 CC(=O)c1cnccc1S[13CH3] 62a_100160469449_200025704644 [0,2,0,0,0,0|2,0,0]=4 1875 B11R1.53 CC(=O)c1cnccc1S[13CH3] 62a_200025704644_100160469449 [0,2,0,0,0,0|2,0,0]=4 1876 B11R1.53 CC(=O)c1ncccc1O[13CH3] 34a_100000087166_200025704644 [0,2,0,0,0,0|2,0,0]=4 1877 B11R1.53 CC(=O)c1ncccc1O[13CH3] 7a_100000087166_200025704644 [0,2,0,0,0,0|2,0,0]=4 1878 B11R1.53 CC(=O)c1ncccc1S[13CH3] 62a_100012348690_200025704644 [0,2,0,0,0,0|2,0,0]=4 1879 B11R1.53 CC(=O)c1ncccc1S[13CH3] 62a_200025704644_100012348690 [0,2,0,0,0,0|2,0,0]=4 1880 B11R1.53 CC(O)c1ccccc1N[13CH3] 2230a_100011405641_200025704644 [0,2,0,0,0,0|1,0,1]=4 1881 B11R1.53 CC(O)c1ccccc1O[13CH3] 34a_200011232679_200025704644 [0,2,0,0,0,0|1,0,1]=4 1882 B11R1.53 CC(O)c1ccccc1O[13CH3] 7a_200011232679_200025704644 [0,2,0,0,0,0|1,0,1]=4 1883 B11R1.53 CC(O)c1ccccc1S[13CH3] 62a_100000702211_200025704644 [0,2,0,0,0,0|1,0,1]=4 1884 B11R1.53 CC(O)c1ccccc1S[13CH3] 62a_200025704644_100000702211 [0,2,0,0,0,0|1,0,1]=4 1885 B11R1.53 CCc1ccccc1C(=O)C 1458a_100000689120_200000210301 [0,2,0,0,0,0|1,0,0]=3 1886 B11R1.53 CCc1ccccc1C(=O)[13CH3] 1458a_100000689120_200025704644 [0,2,0,0,0,0|1,0,0]=3 1887 B11R1.53 CNc1ccccc1C(=O)N 34a_100000185089_200000210301 [0,2,0,0,0,0|1,0,0]=3 1888 B11R1.53 CNc1ccccc1C(C)O 2230a_100011405641_200000210301 [0,2,0,0,0,0|1,0,1]=4 1889 B11R1.53 CNc1cccnc1C(=O)N 27a_100102657272_200012359670 [0,2,0,0,0,0|2,0,0]=4 1890 B11R1.53 CNc1ccncc1C(=O)C 27a_100102657272_100160469449 [0,2,0,0,0,0|2,0,0]=4 1891 B11R1.53 CNc1ccncc1C(=O)N 27a_100102657272_100000697804 [0,2,0,0,0,0|2,0,0]=4 1892 B11R1.53 CNc1ncccc1C(=O)C 27a_100102657272_100009816689 [0,2,0,0,0,0|2,0,0]=4 1893 B11R1.53 CNc1ncccc1C(=O)N 27a_100102657272_100000162199 [0,2,0,0,0,0|2,0,0]=4 1894 B11R1.53 COc1ccccc1C(=O)C 1458a_100000185835_200000210301 [0,2,0,0,0,0|1,0,0]=3 1895 B11R1.53 COc1ccccc1C(=O)N 34a_100000192804_200000210301 [0,2,0,0,0,0|1,0,0]=3 1896 B11R1.53 COc1ccccc1C(=O)N 7a_100000192804_200000210301 [0,2,0,0,0,0|1,0,0]=3 1897 B11R1.53 COc1ccccc1C(=O)[13CH3] 1458a_100000185835_200025704644 [0,2,0,0,0,0|1,0,0]=3 1898 B11R1.53 COc1ccccc1C(=O)[O-] 7a_100015234032_200000210301 [0,2,0,0,0,0|0,0,1]=3 1899 B11R1.53 COc1ccccc1C(=S)N 7a_100000745089_200000210301 [0,2,0,0,0,0|1,1,0]=4 1900 B11R1.53 COc1ccccc1C(C)O 34a_200011232679_200000210301 [0,2,0,0,0,0|1,0,1]=4 1901 B11R1.53 COc1ccccc1C(C)O 7a_200011232679_200000210301 [0,2,0,0,0,0|1,0,1]=4 1902 B11R1.53 COc1ccccc1[N+](=O)[O-] 34a_100000186319_200000210301 [0,2,0,0,0,0|1,0,1]=4 1903 B11R1.53 COc1ccccc1[N+](=O)[O-] 7a_100000186319_200000210301 [0,2,0,0,0,0|1,0,1]=4 1904 B11R1.53 COc1cccnc1C(=O)C 34a_100000087166_200000210301 [0,2,0,0,0,0|2,0,0]=4 1905 B11R1.53 COc1cccnc1C(=O)C 7a_100000087166_200000210301 [0,2,0,0,0,0|2,0,0]=4 1906 B11R1.53 COc1cccnc1C(=O)N 34a_200011215183_200000210301 [0,2,0,0,0,0|2,0,0]=4 1907 B11R1.53 COc1cccnc1C(=O)N 7a_200011215183_200000210301 [0,2,0,0,0,0|2,0,0]=4 1908 B11R1.53 COc1ccncc1C(=O)N 34a_200011998761_200000210301 [0,2,0,0,0,0|2,0,0]=4 1909 B11R1.53 COc1cnccc1C(=O)C 7a_100009872882_200000210301 [0,2,0,0,0,0|2,0,0]=4 1910 B11R1.53 COc1cnccc1C(=O)N 7a_100012022987_200000210301 [0,2,0,0,0,0|2,0,0]=4 1911 B11R1.53 CS(=O)c1ccccc1S[13CH3] 62a_100000734199_200025704644 [0,2,0,0,0,0|2,0,0]=4 1912 B11R1.53 CSc1ccccc1B(O)O 62a_100000693059_200000210301 [0,2,0,0,0,0|1,0,1]=4 1913 B11R1.53 CSc1ccccc1B(O)O 62a_200000210301_100000693059 [0,2,0,0,0,0|1,0,1]=4 1914 B11R1.53 CSc1ccccc1C(=O)C 1458a_100000183967_200000210301 [0,2,0,0,0,0|1,0,0]=3 1915 B11R1.53 CSc1ccccc1C(=O)C 62a_100000751169_200000210301 [0,2,0,0,0,0|1,0,0]=3 1916 B11R1.53 CSc1ccccc1C(=O)N 62a_100000162227_200000210301 [0,2,0,0,0,0|1,0,0]=3 1917 B11R1.53 CSc1ccccc1C(=O)N 62a_200000210301_100000162227 [0,2,0,0,0,0|1,0,0]=3 1918 B11R1.53 CSc1ccccc1C(=O)O 62a_200000210301_100000734275 [0,2,0,0,0,0|0,0,0]=2 1919 B11R1.53 CSc1ccccc1C(=O)O 62a_202125556159_200000210301 [0,2,0,0,0,0|0,0,0]=2 1920 B11R1.53 CSc1ccccc1C(=O)[13CH3] 1458a_100000183967_200025704644 [0,2,0,0,0,0|1,0,0]=3 1921 B11R1.53 CSc1ccccc1C(C)O 62a_100000702211_200000210301 [0,2,0,0,0,0|1,0,1]=4 1922 B11R1.53 CSc1ccccc1C(C)O 62a_200000210301_100000702211 [0,2,0,0,0,0|1,0,1]=4 1923 B11R1.53 CSc1ccccc1S(=O)C 62a_100000734199_200000210301 [0,2,0,0,0,0|2,0,0]=4 1924 B11R1.53 CSc1cccnc1C(=O)C 62a_100012348690_200000210301 [0,2,0,0,0,0|2,0,0]=4 1925 B11R1.53 CSc1cccnc1C(=O)C 62a_200000210301_100012348690 [0,2,0,0,0,0|2,0,0]=4 1926 B11R1.53 CSc1cccnc1C(=O)N 62a_200000210301_200012359670 [0,2,0,0,0,0|2,0,0]=4 1927 B11R1.53 CSc1cccnc1C(=O)N 62a_200012359670_200000210301 [0,2,0,0,0,0|2,0,0]=4 1928 B11R1.53 CSc1ccncc1C(=O)C 62a_100160469449_200000210301 [0,2,0,0,0,0|2,0,0]=4 1929 B11R1.53 CSc1ccncc1C(=O)C 62a_200000210301_100160469449 [0,2,0,0,0,0|2,0,0]=4 1930 B11R1.53 CSc1ccncc1C(=O)N 62a_100000697804_200000210301 [0,2,0,0,0,0|2,0,0]=4 1931 B11R1.53 CSc1ccncc1C(=O)N 62a_200000210301_100000697804 [0,2,0,0,0,0|2,0,0]=4 1932 B11R1.53 CSc1cnccc1C(=O)C 62a_100009993184_200000210301 [0,2,0,0,0,0|2,0,0]=4 1933 B11R1.53 CSc1cnccc1C(=O)C 62a_200000210301_100009993184 [0,2,0,0,0,0|2,0,0]=4 1934 B11R1.53 CSc1cnccc1C(=O)N 62a_100010205435_200000210301 [0,2,0,0,0,0|2,0,0]=4 1935 B11R1.53 CSc1cnccc1C(=O)N 62a_200000210301_100010205435 [0,2,0,0,0,0|2,0,0]=4 1936 B11R1.53 CSc1ncccc1C(=O)C 62a_100000753718_200000210301 [0,2,0,0,0,0|2,0,0]=4 1937 B11R1.53 CSc1ncccc1C(=O)C 62a_200000210301_100000753718 [0,2,0,0,0,0|2,0,0]=4 1938 B11R1.53 CSc1ncccc1C(=O)N 62a_100000162199_200000210301 [0,2,0,0,0,0|2,0,0]=4 1939 B11R1.53 CSc1ncccc1C(=O)N 62a_200000210301_100000162199 [0,2,0,0,0,0|2,0,0]=4 1940 B11R1.53 [13CH3]C(=O)c1ccccc1C#N 1458a_100000742908_200025704644 [0,2,0,0,0,0|1,0,0]=3 1941 B11R1.53 [13CH3]C(=O)c1ccccc1CO 1458a_100011301526_200025704644 [0,2,0,0,0,0|1,0,0]=3 1942 B11R1.53 [13CH3]C(=O)c1ccccc1I=O 1458a_100000032414_200025704644 [0,2,0,0,0,0|1,0,0]=3 1943 B11R1.53 [13CH3]Nc1ccccc1C(=O)N 34a_100000185089_200025704644 [0,2,0,0,0,0|1,0,0]=3 1944 B11R1.53 [13CH3]Oc1ccccc1C(=O)N 34a_100000192804_200025704644 [0,2,0,0,0,0|1,0,0]=3 1945 B11R1.53 [13CH3]Oc1ccccc1C(=O)N 7a_100000192804_200025704644 [0,2,0,0,0,0|1,0,0]=3 1946 B11R1.53 [13CH3]Oc1ccccc1C(=O)[O-] 7a_100015234032_200025704644 [0,2,0,0,0,0|0,0,1]=3 1947 B11R1.53 [13CH3]Oc1ccccc1C(=S)N 7a_100000745089_200025704644 [0,2,0,0,0,0|1,1,0]=4 1948 B11R1.53 [13CH3]Oc1ccccc1[N+](=O)[O-] 34a_100000186319_200025704644 [0,2,0,0,0,0|1,0,1]=4 1949 B11R1.53 [13CH3]Oc1ccccc1[N+](=O)[O-] 7a_100000186319_200025704644 [0,2,0,0,0,0|1,0,1]=4 1950 B11R1.53 [13CH3]Oc1cccnc1C(=O)N 34a_200011215183_200025704644 [0,2,0,0,0,0|2,0,0]=4 1951 B11R1.53 [13CH3]Oc1cccnc1C(=O)N 7a_200011215183_200025704644 [0,2,0,0,0,0|2,0,0]=4 1952 B11R1.53 [13CH3]Oc1ccncc1C(=O)N 34a_200011998761_200025704644 [0,2,0,0,0,0|2,0,0]=4 1953 B11R1.53 [13CH3]Oc1cnccc1C(=O)N 7a_100012022987_200025704644 [0,2,0,0,0,0|2,0,0]=4 1954 B11R1.53 [13CH3]Sc1ccccc1B(O)O 62a_100000693059_200025704644 [0,2,0,0,0,0|1,0,1]=4 1955 B11R1.53 [13CH3]Sc1ccccc1B(O)O 62a_200025704644_100000693059 [0,2,0,0,0,0|1,0,1]=4 1956 B11R1.53 [13CH3]Sc1ccccc1C(=O)N 62a_100000162227_200025704644 [0,2,0,0,0,0|1,0,0]=3 1957 B11R1.53 [13CH3]Sc1ccccc1C(=O)N 62a_200025704644_100000162227 [0,2,0,0,0,0|1,0,0]=3 1958 B11R1.53 [13CH3]Sc1ccccc1C(=O)O 62a_200025704644_100000734275 [0,2,0,0,0,0|0,0,0]=2 1959 B11R1.53 [13CH3]Sc1ccccc1C(=O)O 62a_202125556159_200025704644 [0,2,0,0,0,0|0,0,0]=2 1960 B11R1.53 [13CH3]Sc1cccnc1C(=O)N 62a_200012359670_200025704644 [0,2,0,0,0,0|2,0,0]=4 1961 B11R1.53 [13CH3]Sc1cccnc1C(=O)N 62a_200025704644_200012359670 [0,2,0,0,0,0|2,0,0]=4 1962 B11R1.53 [13CH3]Sc1ccncc1C(=O)N 62a_100000697804_200025704644 [0,2,0,0,0,0|2,0,0]=4 1963 B11R1.53 [13CH3]Sc1ccncc1C(=O)N 62a_200025704644_100000697804 [0,2,0,0,0,0|2,0,0]=4 1964 B11R1.53 [13CH3]Sc1cnccc1C(=O)N 62a_100010205435_200025704644 [0,2,0,0,0,0|2,0,0]=4 1965 B11R1.53 [13CH3]Sc1cnccc1C(=O)N 62a_200025704644_100010205435 [0,2,0,0,0,0|2,0,0]=4 1966 B11R1.53 [13CH3]Sc1ncccc1C(=O)N 62a_100000162199_200025704644 [0,2,0,0,0,0|2,0,0]=4 1967 B11R1.53 [13CH3]Sc1ncccc1C(=O)N 62a_200025704644_100000162199 [0,2,0,0,0,0|2,0,0]=4 1968 B11R1.156 C=C(C)c1c(cccc1Br)Br 271570a_100000694244_100009994525 [0,2,0,0,0,0|2,0,0]=4 1969 B11R1.156 C=C(C)c1c(cccc1Br)Cl 271570a_100000694244_100010214488 [0,2,0,0,0,0|2,0,0]=4 1970 B11R1.156 C=C(C)c1c(cccc1Br)F 271570a_100000694244_100011219512 [0,2,0,0,0,0|2,0,0]=4 1971 B11R1.156 C=C(C)c1c(cccc1Br)N 271570a_100000694244_100020590159 [0,2,0,0,0,0|2,0,0]=4 1972 B11R1.156 C=C(C)c1c(cccc1Br)O 271570a_100000694244_100010187912 [0,2,0,0,0,0|2,0,0]=4 1973 B11R1.156 C=C(C)c1c(cccc1C)C 271570a_100000694244_100000033847 [0,2,0,0,0,0|2,0,0]=4 1974 B11R1.156 C=C(C)c1c(cccc1Cl)C 271570a_100000694244_100000043165 [0,2,0,0,0,0|2,0,0]=4 1975 B11R1.156 C=C(C)c1c(cccc1Cl)Cl 271570a_100000694244_100000034237 [0,2,0,0,0,0|2,0,0]=4 1976 B11R1.156 C=C(C)c1c(cccc1Cl)F 271570a_100000694244_100000050007 [0,2,0,0,0,0|2,0,0]=4 1977 B11R1.156 C=C(C)c1c(cccc1Cl)N 271570a_100000694244_100000049713 [0,2,0,0,0,0|2,0,0]=4 1978 B11R1.156 C=C(C)c1c(cccc1Cl)O 271570a_100000694244_100000050174 [0,2,0,0,0,0|2,0,0]=4 1979 B11R1.156 C=C(C)c1c(cccc1F)C 271570a_100000694244_100012349962 [0,2,0,0,0,0|2,0,0]=4 1980 B11R1.156 C=C(C)c1c(cccc1F)F 271570a_100000694244_100000693133 [0,2,0,0,0,0|2,0,0]=4 1981 B11R1.156 C=C(C)c1c(cccc1F)N 271570a_100000694244_100011934729 [0,2,0,0,0,0|2,0,0]=4 1982 B11R1.156 C=C(C)c1c(cccc1F)O 271570a_100000694244_100009820682 [0,2,0,0,0,0|2,0,0]=4 1983 B11R1.156 C=C(C)c1c(cccc1N)C 271570a_100000694244_100000684715 [0,2,0,0,0,0|2,0,0]=4 1984 B11R1.156 C=C(C)c1c(cccc1O)C 271570a_100000694244_100000686692 [0,2,0,0,0,0|2,0,0]=4 1985 B11R1.156 C=C(C)c1c(cccc1O)N 271570a_100000694244_100012183704 [0,2,0,0,0,0|2,0,0]=4 1986 B11R1.156 C=C(C)c1c(cccc1O)O 271570a_100000694244_100010205330 [0,2,0,0,0,0|2,0,0]=4 1987 B11R1.156 CC(=O)c1c(cccc1Br)Br 1458a_100000690891_200000210301 [0,2,0,0,0,0|1,0,0]=3 1988 B11R1.156 CC(=O)c1c(cccc1Br)C 1458a_100000701904_200000210301 [0,2,0,0,0,0|1,0,0]=3 1989 B11R1.156 CC(=O)c1c(cccc1Br)Cl 1458a_100011253703_200000210301 [0,2,0,0,0,0|1,0,0]=3 1990 B11R1.156 CC(=O)c1c(cccc1Br)F 1458a_100000752694_200000210301 [0,2,0,0,0,0|1,0,0]=3 1991 B11R1.156 CC(=O)c1c(cccc1Br)O 1458a_100011935254_200000210301 [0,2,0,0,0,0|1,0,0]=3 1992 B11R1.156 CC(=O)c1c(cccc1C)C 1458a_100000758298_200000210301 [0,2,0,0,0,0|1,0,0]=3 1993 B11R1.156 CC(=O)c1c(cccc1Cl)C 1458a_100000692601_200000210301 [0,2,0,0,0,0|1,0,0]=3 1994 B11R1.156 CC(=O)c1c(cccc1Cl)Cl 1458a_100000210656_200000210301 [0,2,0,0,0,0|1,0,0]=3 1995 B11R1.156 CC(=O)c1c(cccc1Cl)F 1458a_100000210369_200000210301 [0,2,0,0,0,0|1,0,0]=3 1996 B11R1.156 CC(=O)c1c(cccc1Cl)O 1458a_100000745519_200000210301 [0,2,0,0,0,0|1,0,0]=3 1997 B11R1.156 CC(=O)c1c(cccc1F)C 1458a_100000762013_200000210301 [0,2,0,0,0,0|1,0,0]=3 1998 B11R1.156 CC(=O)c1c(cccc1F)F 1458a_100000210804_200000210301 [0,2,0,0,0,0|1,0,0]=3 1999 B11R1.156 CC(=O)c1c(cccc1F)O 1458a_100000763259_200000210301 [0,2,0,0,0,0|1,0,0]=3 2000 B11R1.156 CC(=O)c1c(cccc1F)O 271570a_203496583355_100012351873 [0,2,0,0,0,0|1,0,0]=3 2001 B11R1.156 CC(=O)c1c(cccc1I)Br 1458a_100010232521_200000210301 [0,2,0,0,0,0|1,0,0]=3 2002 B11R1.156 CC(=O)c1c(cccc1I)C 1458a_100000688020_200000210301 [0,2,0,0,0,0|1,0,0]=3 2003 B11R1.156 CC(=O)c1c(cccc1I)Cl 1458a_100000702859_200000210301 [0,2,0,0,0,0|1,0,0]=3 2004 B11R1.156 CC(=O)c1c(cccc1I)F 1458a_100000023732_200000210301 [0,2,0,0,0,0|1,0,0]=3 2005 B11R1.156 CC(=O)c1c(cccc1O)C 1458a_100011934116_200000210301 [0,2,0,0,0,0|1,0,0]=3 2006 B11R1.156 CC(=O)c1c(cccc1O)O 1458a_100000755285_200000210301 [0,2,0,0,0,0|1,0,0]=3 2007 B11R1.156 CC(=O)c1c(cccc1O)O 271570a_203496583355_100010174959 [0,2,0,0,0,0|1,0,0]=3 2008 B11R1.156 CC(=O)c1c(ccnc1O)N 271570a_203496583355_200010729368 [0,2,0,0,0,0|2,0,0]=4 2009 B11R1.156 CC(O)c1c(cccc1F)O 271570a_203496583355_100013085324 [0,2,0,0,0,0|1,0,1]=4 2010 B11R1.156 Cc1cccc(c1C(=O)[13CH3])Br 1458a_100000701904_200025704644 [0,2,0,0,0,0|1,0,0]=3 2011 B11R1.156 Cc1cccc(c1C(=O)[13CH3])C 1458a_100000758298_200025704644 [0,2,0,0,0,0|1,0,0]=3 2012 B11R1.156 Cc1cccc(c1C(=O)[13CH3])Cl 1458a_100000692601_200025704644 [0,2,0,0,0,0|1,0,0]=3 2013 B11R1.156 Cc1cccc(c1C(=O)[13CH3])F 1458a_100000762013_200025704644 [0,2,0,0,0,0|1,0,0]=3 2014 B11R1.156 Cc1cccc(c1C(=O)[13CH3])I 1458a_100000688020_200025704644 [0,2,0,0,0,0|1,0,0]=3 2015 B11R1.156 Cc1cccc(c1C(=O)[13CH3])O 1458a_100011934116_200025704644 [0,2,0,0,0,0|1,0,0]=3 2016 B11R1.156 NC(=O)c1c(cccc1Cl)O 271570a_203496583355_100010147686 [0,2,0,0,0,0|1,0,0]=3 2017 B11R1.156 NC(=O)c1c(cccc1F)O 271570a_203496583355_100011219063 [0,2,0,0,0,0|1,0,0]=3 2018 B11R1.156 NC(=O)c1c(cncc1F)O 271570a_203496583355_100010271514 [0,2,0,0,0,0|2,0,0]=4 2019 B11R1.156 [13CH3]C(=O)c1c(cccc1Br)Br 1458a_100000690891_200025704644 [0,2,0,0,0,0|1,0,0]=3 2020 B11R1.156 [13CH3]C(=O)c1c(cccc1Br)Cl 1458a_100011253703_200025704644 [0,2,0,0,0,0|1,0,0]=3 2021 B11R1.156 [13CH3]C(=O)c1c(cccc1Br)F 1458a_100000752694_200025704644 [0,2,0,0,0,0|1,0,0]=3 2022 B11R1.156 [13CH3]C(=O)c1c(cccc1Br)O 1458a_100011935254_200025704644 [0,2,0,0,0,0|1,0,0]=3 2023 B11R1.156 [13CH3]C(=O)c1c(cccc1Cl)Cl 1458a_100000210656_200025704644 [0,2,0,0,0,0|1,0,0]=3 2024 B11R1.156 [13CH3]C(=O)c1c(cccc1Cl)F 1458a_100000210369_200025704644 [0,2,0,0,0,0|1,0,0]=3 2025 B11R1.156 [13CH3]C(=O)c1c(cccc1Cl)O 1458a_100000745519_200025704644 [0,2,0,0,0,0|1,0,0]=3 2026 B11R1.156 [13CH3]C(=O)c1c(cccc1F)F 1458a_100000210804_200025704644 [0,2,0,0,0,0|1,0,0]=3 2027 B11R1.156 [13CH3]C(=O)c1c(cccc1F)O 1458a_100000763259_200025704644 [0,2,0,0,0,0|1,0,0]=3 2028 B11R1.156 [13CH3]C(=O)c1c(cccc1I)Br 1458a_100010232521_200025704644 [0,2,0,0,0,0|1,0,0]=3 2029 B11R1.156 [13CH3]C(=O)c1c(cccc1I)Cl 1458a_100000702859_200025704644 [0,2,0,0,0,0|1,0,0]=3 2030 B11R1.156 [13CH3]C(=O)c1c(cccc1I)F 1458a_100000023732_200025704644 [0,2,0,0,0,0|1,0,0]=3 2031 B11R1.156 [13CH3]C(=O)c1c(cccc1O)O 1458a_100000755285_200025704644 [0,2,0,0,0,0|1,0,0]=3 2032 B11R1.159 C=C(C)c1cccc(c1Br)O 271570a_100000694244_100010187914 [0,2,0,0,0,0|2,0,0]=4 2033 B11R1.159 C=C(C)c1cccc(c1C)Br 271570a_100000694244_100012353703 [0,2,0,0,0,0|2,0,0]=4 2034 B11R1.159 C=C(C)c1cccc(c1C)C 271570a_100000694244_100011214922 [0,2,0,0,0,0|2,0,0]=4 2035 B11R1.159 C=C(C)c1cccc(c1C)Cl 271570a_100000694244_100000726075 [0,2,0,0,0,0|2,0,0]=4 2036 B11R1.159 C=C(C)c1cccc(c1C)F 271570a_100000694244_100011216893 [0,2,0,0,0,0|2,0,0]=4 2037 B11R1.159 C=C(C)c1cccc(c1C)N 271570a_100000694244_100000761887 [0,2,0,0,0,0|2,0,0]=4 2038 B11R1.159 C=C(C)c1cccc(c1C)O 271570a_100000694244_100012002258 [0,2,0,0,0,0|2,0,0]=4 2039 B11R1.159 C=C(C)c1cccc(c1Cl)Br 271570a_100000694244_100010142854 [0,2,0,0,0,0|2,0,0]=4 2040 B11R1.159 C=C(C)c1cccc(c1Cl)C 271570a_100000694244_200012352035 [0,2,0,0,0,0|2,0,0]=4 2041 B11R1.159 C=C(C)c1cccc(c1Cl)Cl 271570a_100000694244_100011215384 [0,2,0,0,0,0|2,0,0]=4 2042 B11R1.159 C=C(C)c1cccc(c1Cl)F 271570a_100000694244_200010234923 [0,2,0,0,0,0|2,0,0]=4 2043 B11R1.159 C=C(C)c1cccc(c1Cl)O 271570a_100000694244_100000049636 [0,2,0,0,0,0|2,0,0]=4 2044 B11R1.159 C=C(C)c1cccc(c1F)Br 271570a_100000694244_100000702267 [0,2,0,0,0,0|2,0,0]=4 2045 B11R1.159 C=C(C)c1cccc(c1F)C 271570a_100000694244_100000717567 [0,2,0,0,0,0|2,0,0]=4 2046 B11R1.159 C=C(C)c1cccc(c1F)Cl 271570a_100000694244_100011217346 [0,2,0,0,0,0|2,0,0]=4 2047 B11R1.159 C=C(C)c1cccc(c1F)F 271570a_100000694244_100000694657 [0,2,0,0,0,0|2,0,0]=4 2048 B11R1.159 C=C(C)c1cccc(c1F)N 271570a_100000694244_100011935091 [0,2,0,0,0,0|2,0,0]=4 2049 B11R1.159 C=C(C)c1cccc(c1F)O 271570a_100000694244_100009817021 [0,2,0,0,0,0|2,0,0]=4 2050 B11R1.159 C=C(C)c1cccc(c1N)Br 271570a_100000694244_100010146558 [0,2,0,0,0,0|2,0,0]=4 2051 B11R1.159 C=C(C)c1cccc(c1N)C 271570a_100000694244_100011834072 [0,2,0,0,0,0|2,0,0]=4 2052 B11R1.159 C=C(C)c1cccc(c1N)Cl 271570a_100000694244_100010190421 [0,2,0,0,0,0|2,0,0]=4 2053 B11R1.159 C=C(C)c1cccc(c1N)F 271570a_100000694244_100000042321 [0,2,0,0,0,0|2,0,0]=4 2054 B11R1.159 C=C(C)c1cccc(c1N)N 271570a_100000694244_100015191791 [0,2,0,0,0,0|2,0,0]=4 2055 B11R1.159 C=C(C)c1cccc(c1N)O 271570a_100000694244_100011934926 [0,2,0,0,0,0|2,0,0]=4 2056 B11R1.159 C=C(C)c1cccc(c1O)Br 271570a_100000694244_100010084509 [0,2,0,0,0,0|2,0,0]=4 2057 B11R1.159 C=C(C)c1cccc(c1O)C 271570a_100000694244_100009817157 [0,2,0,0,0,0|2,0,0]=4 2058 B11R1.159 C=C(C)c1cccc(c1O)Cl 271570a_100000694244_100010202889 [0,2,0,0,0,0|2,0,0]=4 2059 B11R1.159 C=C(C)c1cccc(c1O)F 271570a_100000694244_100009813666 [0,2,0,0,0,0|2,0,0]=4 2060 B11R1.159 C=C(C)c1cccc(c1O)N 271570a_100000694244_100011934915 [0,2,0,0,0,0|2,0,0]=4 2061 B11R1.159 C=C(C)c1cccc(c1O)O 271570a_100000694244_100009815950 [0,2,0,0,0,0|2,0,0]=4 2062 B11R1.159 CC(=O)c1cccc(c1Br)Br 1458a_100012360534_200000210301 [0,2,0,0,0,0|1,0,0]=3 2063 B11R1.159 CC(=O)c1cccc(c1Br)C 1458a_100000692419_200000210301 [0,2,0,0,0,0|1,0,0]=3 2064 B11R1.159 CC(=O)c1cccc(c1Br)Cl 1458a_100012339722_200000210301 [0,2,0,0,0,0|1,0,0]=3 2065 B11R1.159 CC(=O)c1cccc(c1Br)F 1458a_100011217547_200000210301 [0,2,0,0,0,0|1,0,0]=3 2066 B11R1.159 CC(=O)c1cccc(c1Br)I 1458a_100010232522_200000210301 [0,2,0,0,0,0|1,0,0]=3 2067 B11R1.159 CC(=O)c1cccc(c1Br)O 1458a_100010230362_200000210301 [0,2,0,0,0,0|1,0,0]=3 2068 B11R1.159 CC(=O)c1cccc(c1C)Br 1458a_100000760464_200000210301 [0,2,0,0,0,0|1,0,0]=3 2069 B11R1.159 CC(=O)c1cccc(c1C)C 1458a_100000183679_200000210301 [0,2,0,0,0,0|1,0,0]=3 2070 B11R1.159 CC(=O)c1cccc(c1C)Cl 1458a_100000690184_200000210301 [0,2,0,0,0,0|1,0,0]=3 2071 B11R1.159 CC(=O)c1cccc(c1C)F 1458a_100011218272_200000210301 [0,2,0,0,0,0|1,0,0]=3 2072 B11R1.159 CC(=O)c1cccc(c1C)I 1458a_100000751865_200000210301 [0,2,0,0,0,0|1,0,0]=3 2073 B11R1.159 CC(=O)c1cccc(c1C)O 1458a_100000766327_200000210301 [0,2,0,0,0,0|1,0,0]=3 2074 B11R1.159 CC(=O)c1cccc(c1C)O 271570a_203496583355_100012706834 [0,2,0,0,0,0|1,0,0]=3 2075 B11R1.159 CC(=O)c1cccc(c1Cl)Br 1458a_100000760540_200000210301 [0,2,0,0,0,0|1,0,0]=3 2076 B11R1.159 CC(=O)c1cccc(c1Cl)C 1458a_100000693142_200000210301 [0,2,0,0,0,0|1,0,0]=3 2077 B11R1.159 CC(=O)c1cccc(c1Cl)Cl 1458a_100000183631_200000210301 [0,2,0,0,0,0|1,0,0]=3 2078 B11R1.159 CC(=O)c1cccc(c1Cl)F 1458a_100000759904_200000210301 [0,2,0,0,0,0|1,0,0]=3 2079 B11R1.159 CC(=O)c1cccc(c1Cl)I 1458a_100010176783_200000210301 [0,2,0,0,0,0|1,0,0]=3 2080 B11R1.159 CC(=O)c1cccc(c1Cl)O 1458a_100000092362_200000210301 [0,2,0,0,0,0|1,0,0]=3 2081 B11R1.159 CC(=O)c1cccc(c1F)Br 1458a_100000756403_200000210301 [0,2,0,0,0,0|1,0,0]=3 2082 B11R1.159 CC(=O)c1cccc(c1F)C 1458a_100000766181_200000210301 [0,2,0,0,0,0|1,0,0]=3 2083 B11R1.159 CC(=O)c1cccc(c1F)Cl 1458a_100000688816_200000210301 [0,2,0,0,0,0|1,0,0]=3 2084 B11R1.159 CC(=O)c1cccc(c1F)F 1458a_100000748134_200000210301 [0,2,0,0,0,0|1,0,0]=3 2085 B11R1.159 CC(=O)c1cccc(c1F)I 1458a_100010185205_200000210301 [0,2,0,0,0,0|1,0,0]=3 2086 B11R1.159 CC(=O)c1cccc(c1F)O 1458a_100000037433_200000210301 [0,2,0,0,0,0|1,0,0]=3 2087 B11R1.159 CC(=O)c1cccc(c1F)O 271570a_203496583355_100012355707 [0,2,0,0,0,0|1,0,0]=3 2088 B11R1.159 CC(=O)c1cccc(c1I)Br 1458a_100000688019_200000210301 [0,2,0,0,0,0|1,0,0]=3 2089 B11R1.159 CC(=O)c1cccc(c1I)C 1458a_100000739377_200000210301 [0,2,0,0,0,0|1,0,0]=3 2090 B11R1.159 CC(=O)c1cccc(c1I)Cl 1458a_100010176784_200000210301 [0,2,0,0,0,0|1,0,0]=3 2091 B11R1.159 CC(=O)c1cccc(c1I)F 1458a_100000690930_200000210301 [0,2,0,0,0,0|1,0,0]=3 2092 B11R1.159 CC(=O)c1cccc(c1I)O 1458a_100010084636_200000210301 [0,2,0,0,0,0|1,0,0]=3 2093 B11R1.159 CC(=O)c1cccc(c1O)Br 1458a_100000752940_200000210301 [0,2,0,0,0,0|1,0,0]=3 2094 B11R1.159 CC(=O)c1cccc(c1O)C 1458a_100000183896_200000210301 [0,2,0,0,0,0|1,0,0]=3 2095 B11R1.159 CC(=O)c1cccc(c1O)Cl 1458a_100000742801_200000210301 [0,2,0,0,0,0|1,0,0]=3 2096 B11R1.159 CC(=O)c1cccc(c1O)F 1458a_100011217230_200000210301 [0,2,0,0,0,0|1,0,0]=3 2097 B11R1.159 CC(=O)c1cccc(c1O)F 271570a_203496583355_100012362612 [0,2,0,0,0,0|1,0,0]=3 2098 B11R1.159 CC(=O)c1cccc(c1O)O 1458a_100000690420_200000210301 [0,2,0,0,0,0|1,0,0]=3 2099 B11R1.159 CC(=O)c1cccc(c1O)O 271570a_203496583355_100009815558 [0,2,0,0,0,0|1,0,0]=3 2100 B11R1.159 CC(=O)c1ccnc(c1N)O 271570a_203496583355_200000063496 [0,2,0,0,0,0|2,0,0]=4 2101 B11R1.159 CC(=O)c1nccc(c1F)O 271570a_203496583355_100010729024 [0,2,0,0,0,0|2,0,0]=4 2102 B11R1.159 CC(O)c1cccc(c1F)O 271570a_203496583355_200012356376 [0,2,0,0,0,0|1,0,1]=4 2103 B11R1.159 Cc1c(cccc1B(O)O)O 271570a_203496583355_100000724322 [0,2,0,0,0,0|1,0,1]=4 2104 B11R1.159 Cc1c(cccc1C(=O)N)O 271570a_203496583355_200012298201 [0,2,0,0,0,0|1,0,0]=3 2105 B11R1.159 Cc1c(cccc1C(=O)[13CH3])Br 1458a_100000760464_200025704644 [0,2,0,0,0,0|1,0,0]=3 2106 B11R1.159 Cc1c(cccc1C(=O)[13CH3])Cl 1458a_100000690184_200025704644 [0,2,0,0,0,0|1,0,0]=3 2107 B11R1.159 Cc1c(cccc1C(=O)[13CH3])F 1458a_100011218272_200025704644 [0,2,0,0,0,0|1,0,0]=3 2108 B11R1.159 Cc1c(cccc1C(=O)[13CH3])I 1458a_100000751865_200025704644 [0,2,0,0,0,0|1,0,0]=3 2109 B11R1.159 Cc1c(cccc1C(=O)[13CH3])O 1458a_100000766327_200025704644 [0,2,0,0,0,0|1,0,0]=3 2110 B11R1.159 Cc1cccc(c1Br)C(=O)[13CH3] 1458a_100000692419_200025704644 [0,2,0,0,0,0|1,0,0]=3 2111 B11R1.159 Cc1cccc(c1C)C(=O)[13CH3] 1458a_100000183679_200025704644 [0,2,0,0,0,0|1,0,0]=3 2112 B11R1.159 Cc1cccc(c1Cl)C(=O)[13CH3] 1458a_100000693142_200025704644 [0,2,0,0,0,0|1,0,0]=3 2113 B11R1.159 Cc1cccc(c1F)C(=O)[13CH3] 1458a_100000766181_200025704644 [0,2,0,0,0,0|1,0,0]=3 2114 B11R1.159 Cc1cccc(c1I)C(=O)[13CH3] 1458a_100000739377_200025704644 [0,2,0,0,0,0|1,0,0]=3 2115 B11R1.159 Cc1cccc(c1O)C(=O)N 271570a_203496583355_200011409216 [0,2,0,0,0,0|1,0,0]=3 2116 B11R1.159 Cc1cccc(c1O)C(=O)[13CH3] 1458a_100000183896_200025704644 [0,2,0,0,0,0|1,0,0]=3 2117 B11R1.159 NC(=O)c1cccc(c1F)O 271570a_203496583355_100012351131 [0,2,0,0,0,0|1,0,0]=3 2118 B11R1.159 NC(=O)c1cccc(c1N)O 271570a_203496583355_100010144993 [0,2,0,0,0,0|1,0,0]=3 2119 B11R1.159 NC(=O)c1cccc(c1O)F 271570a_203496583355_200012351544 [0,2,0,0,0,0|1,0,0]=3 2120 B11R1.159 NC(=O)c1ccnc(c1N)O 271570a_203496583355_100000080204 [0,2,0,0,0,0|2,0,0]=4 2121 B11R1.159 OB(O)c1cccc(c1F)O 271570a_203496583355_100011934463 [0,2,0,0,0,0|1,0,1]=4 2122 B11R1.159 [13CH3]C(=O)c1cccc(c1Br)Br 1458a_100012360534_200025704644 [0,2,0,0,0,0|1,0,0]=3 2123 B11R1.159 [13CH3]C(=O)c1cccc(c1Br)Cl 1458a_100012339722_200025704644 [0,2,0,0,0,0|1,0,0]=3 2124 B11R1.159 [13CH3]C(=O)c1cccc(c1Br)F 1458a_100011217547_200025704644 [0,2,0,0,0,0|1,0,0]=3 2125 B11R1.159 [13CH3]C(=O)c1cccc(c1Br)I 1458a_100010232522_200025704644 [0,2,0,0,0,0|1,0,0]=3 2126 B11R1.159 [13CH3]C(=O)c1cccc(c1Br)O 1458a_100010230362_200025704644 [0,2,0,0,0,0|1,0,0]=3 2127 B11R1.159 [13CH3]C(=O)c1cccc(c1Cl)Br 1458a_100000760540_200025704644 [0,2,0,0,0,0|1,0,0]=3 2128 B11R1.159 [13CH3]C(=O)c1cccc(c1Cl)Cl 1458a_100000183631_200025704644 [0,2,0,0,0,0|1,0,0]=3 2129 B11R1.159 [13CH3]C(=O)c1cccc(c1Cl)F 1458a_100000759904_200025704644 [0,2,0,0,0,0|1,0,0]=3 2130 B11R1.159 [13CH3]C(=O)c1cccc(c1Cl)I 1458a_100010176783_200025704644 [0,2,0,0,0,0|1,0,0]=3 2131 B11R1.159 [13CH3]C(=O)c1cccc(c1Cl)O 1458a_100000092362_200025704644 [0,2,0,0,0,0|1,0,0]=3 2132 B11R1.159 [13CH3]C(=O)c1cccc(c1F)Br 1458a_100000756403_200025704644 [0,2,0,0,0,0|1,0,0]=3 2133 B11R1.159 [13CH3]C(=O)c1cccc(c1F)Cl 1458a_100000688816_200025704644 [0,2,0,0,0,0|1,0,0]=3 2134 B11R1.159 [13CH3]C(=O)c1cccc(c1F)F 1458a_100000748134_200025704644 [0,2,0,0,0,0|1,0,0]=3 2135 B11R1.159 [13CH3]C(=O)c1cccc(c1F)I 1458a_100010185205_200025704644 [0,2,0,0,0,0|1,0,0]=3 2136 B11R1.159 [13CH3]C(=O)c1cccc(c1F)O 1458a_100000037433_200025704644 [0,2,0,0,0,0|1,0,0]=3 2137 B11R1.159 [13CH3]C(=O)c1cccc(c1I)Br 1458a_100000688019_200025704644 [0,2,0,0,0,0|1,0,0]=3 2138 B11R1.159 [13CH3]C(=O)c1cccc(c1I)Cl 1458a_100010176784_200025704644 [0,2,0,0,0,0|1,0,0]=3 2139 B11R1.159 [13CH3]C(=O)c1cccc(c1I)F 1458a_100000690930_200025704644 [0,2,0,0,0,0|1,0,0]=3 2140 B11R1.159 [13CH3]C(=O)c1cccc(c1I)O 1458a_100010084636_200025704644 [0,2,0,0,0,0|1,0,0]=3 2141 B11R1.159 [13CH3]C(=O)c1cccc(c1O)Br 1458a_100000752940_200025704644 [0,2,0,0,0,0|1,0,0]=3 2142 B11R1.159 [13CH3]C(=O)c1cccc(c1O)Cl 1458a_100000742801_200025704644 [0,2,0,0,0,0|1,0,0]=3 2143 B11R1.159 [13CH3]C(=O)c1cccc(c1O)F 1458a_100011217230_200025704644 [0,2,0,0,0,0|1,0,0]=3 2144 B11R1.159 [13CH3]C(=O)c1cccc(c1O)O 1458a_100000690420_200025704644 [0,2,0,0,0,0|1,0,0]=3 2145 B11R1.167 C=C(C)c1cc(ccc1Br)Br 271570a_100000694244_100011483371 [0,2,0,0,0,0|2,0,0]=4 2146 B11R1.167 C=C(C)c1cc(ccc1Br)C 271570a_100000694244_100012353751 [0,2,0,0,0,0|2,0,0]=4 2147 B11R1.167 C=C(C)c1cc(ccc1Br)Cl 271570a_100000694244_100012339723 [0,2,0,0,0,0|2,0,0]=4 2148 B11R1.167 C=C(C)c1cc(ccc1Br)F 271570a_100000694244_100011217576 [0,2,0,0,0,0|2,0,0]=4 2149 B11R1.167 C=C(C)c1cc(ccc1Br)N 271570a_100000694244_100000750459 [0,2,0,0,0,0|2,0,0]=4 2150 B11R1.167 C=C(C)c1cc(ccc1Br)O 271570a_100000694244_100012339312 [0,2,0,0,0,0|2,0,0]=4 2151 B11R1.167 C=C(C)c1cc(ccc1C)Br 271570a_100000694244_100011344865 [0,2,0,0,0,0|2,0,0]=4 2152 B11R1.167 C=C(C)c1cc(ccc1C)C 271570a_100000694244_100000210833 [0,2,0,0,0,0|2,0,0]=4 2153 B11R1.167 C=C(C)c1cc(ccc1C)Cl 271570a_100000694244_100011263213 [0,2,0,0,0,0|2,0,0]=4 2154 B11R1.167 C=C(C)c1cc(ccc1C)F 271570a_100000694244_100011218078 [0,2,0,0,0,0|2,0,0]=4 2155 B11R1.167 C=C(C)c1cc(ccc1C)N 271570a_100000694244_100000736455 [0,2,0,0,0,0|2,0,0]=4 2156 B11R1.167 C=C(C)c1cc(ccc1C)O 271570a_100000694244_100011380479 [0,2,0,0,0,0|2,0,0]=4 2157 B11R1.167 C=C(C)c1cc(ccc1Cl)Br 271570a_100000694244_100011772130 [0,2,0,0,0,0|2,0,0]=4 2158 B11R1.167 C=C(C)c1cc(ccc1Cl)C 271570a_100000694244_100012356289 [0,2,0,0,0,0|2,0,0]=4 2159 B11R1.167 C=C(C)c1cc(ccc1Cl)Cl 271570a_100000694244_100000707729 [0,2,0,0,0,0|2,0,0]=4 2160 B11R1.167 C=C(C)c1cc(ccc1Cl)F 271570a_100000694244_100011217299 [0,2,0,0,0,0|2,0,0]=4 2161 B11R1.167 C=C(C)c1cc(ccc1Cl)N 271570a_100000694244_100012360549 [0,2,0,0,0,0|2,0,0]=4 2162 B11R1.167 C=C(C)c1cc(ccc1Cl)O 271570a_100000694244_100000049588 [0,2,0,0,0,0|2,0,0]=4 2163 B11R1.167 C=C(C)c1cc(ccc1F)Br 271570a_100000694244_100011217312 [0,2,0,0,0,0|2,0,0]=4 2164 B11R1.167 C=C(C)c1cc(ccc1F)C 271570a_100000694244_100000736223 [0,2,0,0,0,0|2,0,0]=4 2165 B11R1.167 C=C(C)c1cc(ccc1F)Cl 271570a_100000694244_100011218116 [0,2,0,0,0,0|2,0,0]=4 2166 B11R1.167 C=C(C)c1cc(ccc1F)F 271570a_100000694244_100000750033 [0,2,0,0,0,0|2,0,0]=4 2167 B11R1.167 C=C(C)c1cc(ccc1F)N 271570a_100000694244_100000760356 [0,2,0,0,0,0|2,0,0]=4 2168 B11R1.167 C=C(C)c1cc(ccc1F)O 271570a_100000694244_100000693481 [0,2,0,0,0,0|2,0,0]=4 2169 B11R1.167 C=C(C)c1cc(ccc1N)Br 271570a_100000694244_100000187925 [0,2,0,0,0,0|2,0,0]=4 2170 B11R1.167 C=C(C)c1cc(ccc1N)C 271570a_100000694244_100000210942 [0,2,0,0,0,0|2,0,0]=4 2171 B11R1.167 C=C(C)c1cc(ccc1N)Cl 271570a_100000694244_100000761889 [0,2,0,0,0,0|2,0,0]=4 2172 B11R1.167 C=C(C)c1cc(ccc1N)F 271570a_100000694244_100000760547 [0,2,0,0,0,0|2,0,0]=4 2173 B11R1.167 C=C(C)c1cc(ccc1N)N 271570a_100000694244_100011534242 [0,2,0,0,0,0|2,0,0]=4 2174 B11R1.167 C=C(C)c1cc(ccc1N)O 271570a_100000694244_100012001276 [0,2,0,0,0,0|2,0,0]=4 2175 B11R1.167 C=C(C)c1cc(ccc1O)Br 271570a_100000694244_100012355227 [0,2,0,0,0,0|2,0,0]=4 2176 B11R1.167 C=C(C)c1cc(ccc1O)C 271570a_100000694244_100000765521 [0,2,0,0,0,0|2,0,0]=4 2177 B11R1.167 C=C(C)c1cc(ccc1O)Cl 271570a_100000694244_100011356953 [0,2,0,0,0,0|2,0,0]=4 2178 B11R1.167 C=C(C)c1cc(ccc1O)F 271570a_100000694244_100000211999 [0,2,0,0,0,0|2,0,0]=4 2179 B11R1.167 C=C(C)c1cc(ccc1O)N 271570a_100000694244_100011534360 [0,2,0,0,0,0|2,0,0]=4 2180 B11R1.167 C=C(C)c1cc(ccc1O)O 271570a_100000694244_100009813629 [0,2,0,0,0,0|2,0,0]=4 2181 B11R1.167 CC(=O)c1cc(ccc1Br)Br 1458a_100000690610_200000210301 [0,2,0,0,0,0|1,0,0]=3 2182 B11R1.167 CC(=O)c1cc(ccc1Br)C 1458a_100000689033_200000210301 [0,2,0,0,0,0|1,0,0]=3 2183 B11R1.167 CC(=O)c1cc(ccc1Br)Cl 1458a_100000736951_200000210301 [0,2,0,0,0,0|1,0,0]=3 2184 B11R1.167 CC(=O)c1cc(ccc1Br)F 1458a_100000212315_200000210301 [0,2,0,0,0,0|1,0,0]=3 2185 B11R1.167 CC(=O)c1cc(ccc1Br)I 1458a_100000698340_200000210301 [0,2,0,0,0,0|1,0,0]=3 2186 B11R1.167 CC(=O)c1cc(ccc1Br)O 1458a_100012352043_200000210301 [0,2,0,0,0,0|1,0,0]=3 2187 B11R1.167 CC(=O)c1cc(ccc1C)Br 1458a_100000759961_200000210301 [0,2,0,0,0,0|1,0,0]=3 2188 B11R1.167 CC(=O)c1cc(ccc1C)C 1458a_100000195421_200000210301 [0,2,0,0,0,0|1,0,0]=3 2189 B11R1.167 CC(=O)c1cc(ccc1C)Cl 1458a_100000692595_200000210301 [0,2,0,0,0,0|1,0,0]=3 2190 B11R1.167 CC(=O)c1cc(ccc1C)F 1458a_100000240043_200000210301 [0,2,0,0,0,0|1,0,0]=3 2191 B11R1.167 CC(=O)c1cc(ccc1C)I 1458a_100000688012_200000210301 [0,2,0,0,0,0|1,0,0]=3 2192 B11R1.167 CC(=O)c1cc(ccc1C)O 1458a_100000687834_200000210301 [0,2,0,0,0,0|1,0,0]=3 2193 B11R1.167 CC(=O)c1cc(ccc1C)O 271570a_203496583355_100012706819 [0,2,0,0,0,0|1,0,0]=3 2194 B11R1.167 CC(=O)c1cc(ccc1Cl)Br 1458a_100000211212_200000210301 [0,2,0,0,0,0|1,0,0]=3 2195 B11R1.167 CC(=O)c1cc(ccc1Cl)C 1458a_100011290873_200000210301 [0,2,0,0,0,0|1,0,0]=3 2196 B11R1.167 CC(=O)c1cc(ccc1Cl)Cl 1458a_100000210642_200000210301 [0,2,0,0,0,0|1,0,0]=3 2197 B11R1.167 CC(=O)c1cc(ccc1Cl)F 1458a_100011219680_200000210301 [0,2,0,0,0,0|1,0,0]=3 2198 B11R1.167 CC(=O)c1cc(ccc1Cl)I 1458a_100000688013_200000210301 [0,2,0,0,0,0|1,0,0]=3 2199 B11R1.167 CC(=O)c1cc(ccc1Cl)O 1458a_100000719527_200000210301 [0,2,0,0,0,0|1,0,0]=3 2200 B11R1.167 CC(=O)c1cc(ccc1Cl)O 271570a_203496583355_100010712560 [0,2,0,0,0,0|1,0,0]=3 2201 B11R1.167 CC(=O)c1cc(ccc1F)Br 1458a_100000212322_200000210301 [0,2,0,0,0,0|1,0,0]=3 2202 B11R1.167 CC(=O)c1cc(ccc1F)C 1458a_100000749327_200000210301 [0,2,0,0,0,0|1,0,0]=3 2203 B11R1.167 CC(=O)c1cc(ccc1F)Cl 1458a_100000214954_200000210301 [0,2,0,0,0,0|1,0,0]=3 2204 B11R1.167 CC(=O)c1cc(ccc1F)F 1458a_100000198512_200000210301 [0,2,0,0,0,0|1,0,0]=3 2205 B11R1.167 CC(=O)c1cc(ccc1F)I 1458a_100000688014_200000210301 [0,2,0,0,0,0|1,0,0]=3 2206 B11R1.167 CC(=O)c1cc(ccc1F)O 1458a_100000037260_200000210301 [0,2,0,0,0,0|1,0,0]=3 2207 B11R1.167 CC(=O)c1cc(ccc1F)O 271570a_203496583355_100000689017 [0,2,0,0,0,0|1,0,0]=3 2208 B11R1.167 CC(=O)c1cc(ccc1I)Br 1458a_100000183945_200000210301 [0,2,0,0,0,0|1,0,0]=3 2209 B11R1.167 CC(=O)c1cc(ccc1I)C 1458a_100000057929_200000210301 [0,2,0,0,0,0|1,0,0]=3 2210 B11R1.167 CC(=O)c1cc(ccc1I)Cl 1458a_100000739379_200000210301 [0,2,0,0,0,0|1,0,0]=3 2211 B11R1.167 CC(=O)c1cc(ccc1I)F 1458a_100000748905_200000210301 [0,2,0,0,0,0|1,0,0]=3 2212 B11R1.167 CC(=O)c1cc(ccc1I)I 1458a_100000750460_200000210301 [0,2,0,0,0,0|1,0,0]=3 2213 B11R1.167 CC(=O)c1cc(ccc1I)O 1458a_200009995701_200000210301 [0,2,0,0,0,0|1,0,0]=3 2214 B11R1.167 CC(=O)c1cc(ccc1N)O 271570a_203496583355_100000695420 [0,2,0,0,0,0|1,0,0]=3 2215 B11R1.167 CC(=O)c1cc(ccc1O)Br 1458a_100000212140_200000210301 [0,2,0,0,0,0|1,0,0]=3 2216 B11R1.167 CC(=O)c1cc(ccc1O)Br 271570a_203496583355_100012349576 [0,2,0,0,0,0|1,0,0]=3 2217 B11R1.167 CC(=O)c1cc(ccc1O)C 1458a_100000229998_200000210301 [0,2,0,0,0,0|1,0,0]=3 2218 B11R1.167 CC(=O)c1cc(ccc1O)C 271570a_203496583355_100012361225 [0,2,0,0,0,0|1,0,0]=3 2219 B11R1.167 CC(=O)c1cc(ccc1O)Cl 1458a_100000212143_200000210301 [0,2,0,0,0,0|1,0,0]=3 2220 B11R1.167 CC(=O)c1cc(ccc1O)F 1458a_100000742286_200000210301 [0,2,0,0,0,0|1,0,0]=3 2221 B11R1.167 CC(=O)c1cc(ccc1O)F 271570a_203496583355_100012353695 [0,2,0,0,0,0|1,0,0]=3 2222 B11R1.167 CC(=O)c1cc(ccc1O)I 1458a_100000212111_200000210301 [0,2,0,0,0,0|1,0,0]=3 2223 B11R1.167 CC(=O)c1cc(ccc1O)N 271570a_203496583355_100012349454 [0,2,0,0,0,0|1,0,0]=3 2224 B11R1.167 CC(=O)c1cc(ccc1O)O 1458a_100000758025_200000210301 [0,2,0,0,0,0|1,0,0]=3 2225 B11R1.167 CC(=O)c1cc(ccc1O)O 271570a_203496583355_100000212127 [0,2,0,0,0,0|1,0,0]=3 2226 B11R1.167 CC(=O)c1cc(cnc1C)O 271570a_203496583355_100138557192 [0,2,0,0,0,0|2,0,0]=4 2227 B11R1.167 CC(=O)c1cc(cnc1F)O 271570a_203496583355_100010254234 [0,2,0,0,0,0|2,0,0]=4 2228 B11R1.167 CC(=O)c1cc(cnc1N)O 271570a_203496583355_100010173950 [0,2,0,0,0,0|2,0,0]=4 2229 B11R1.167 CC(=O)c1cc(cnc1O)F 271570a_203496583355_100000118324 [0,2,0,0,0,0|2,0,0]=4 2230 B11R1.167 CC(=O)c1cc(ncc1F)O 271570a_203496583355_100000697832 [0,2,0,0,0,0|2,0,0]=4 2231 B11R1.167 CC(=O)c1nc(ccc1F)O 271570a_203496583355_100009887703 [0,2,0,0,0,0|2,0,0]=4 2232 B11R1.167 CC(O)c1cc(ccc1F)O 271570a_203496583355_100011943926 [0,2,0,0,0,0|1,0,1]=4 2233 B11R1.167 C[C@H](O)c1cc(ccc1O)F 271570a_203496583355_100134768474 [0,2,0,0,0,0|1,0,1]=4 2234 B11R1.167 Cc1ccc(c(c1)B(O)O)O 271570a_203496583355_200010883979 [0,2,0,0,0,0|1,0,1]=4 2235 B11R1.167 Cc1ccc(c(c1)C(=O)N)O 271570a_203496583355_200012349609 [0,2,0,0,0,0|1,0,0]=3 2236 B11R1.167 Cc1ccc(c(c1)C(=O)[13CH3])Br 1458a_100000689033_200025704644 [0,2,0,0,0,0|1,0,0]=3 2237 B11R1.167 Cc1ccc(c(c1)C(=O)[13CH3])C 1458a_100000195421_200025704644 [0,2,0,0,0,0|1,0,0]=3 2238 B11R1.167 Cc1ccc(c(c1)C(=O)[13CH3])Cl 1458a_100011290873_200025704644 [0,2,0,0,0,0|1,0,0]=3 2239 B11R1.167 Cc1ccc(c(c1)C(=O)[13CH3])F 1458a_100000749327_200025704644 [0,2,0,0,0,0|1,0,0]=3 2240 B11R1.167 Cc1ccc(c(c1)C(=O)[13CH3])I 1458a_100000057929_200025704644 [0,2,0,0,0,0|1,0,0]=3 2241 B11R1.167 Cc1ccc(c(c1)C(=O)[13CH3])O 1458a_100000229998_200025704644 [0,2,0,0,0,0|1,0,0]=3 2242 B11R1.167 Cc1ccc(cc1B(O)O)O 271570a_203496583355_100010223188 [0,2,0,0,0,0|1,0,1]=4 2243 B11R1.167 Cc1ccc(cc1C(=O)N)O 271570a_203496583355_100012257281 [0,2,0,0,0,0|1,0,0]=3 2244 B11R1.167 Cc1ccc(cc1C(=O)[13CH3])Br 1458a_100000759961_200025704644 [0,2,0,0,0,0|1,0,0]=3 2245 B11R1.167 Cc1ccc(cc1C(=O)[13CH3])Cl 1458a_100000692595_200025704644 [0,2,0,0,0,0|1,0,0]=3 2246 B11R1.167 Cc1ccc(cc1C(=O)[13CH3])F 1458a_100000240043_200025704644 [0,2,0,0,0,0|1,0,0]=3 2247 B11R1.167 Cc1ccc(cc1C(=O)[13CH3])I 1458a_100000688012_200025704644 [0,2,0,0,0,0|1,0,0]=3 2248 B11R1.167 Cc1ccc(cc1C(=O)[13CH3])O 1458a_100000687834_200025704644 [0,2,0,0,0,0|1,0,0]=3 2249 B11R1.167 NC(=O)c1cc(ccc1F)O 271570a_203496583355_100000162119 [0,2,0,0,0,0|1,0,0]=3 2250 B11R1.167 NC(=O)c1cc(ccc1N)O 271570a_203496583355_100000740421 [0,2,0,0,0,0|1,0,0]=3 2251 B11R1.167 NC(=O)c1cc(ccc1O)Br 271570a_203496583355_200000162314 [0,2,0,0,0,0|1,0,0]=3 2252 B11R1.167 NC(=O)c1cc(ccc1O)F 271570a_203496583355_100000206434 [0,2,0,0,0,0|1,0,0]=3 2253 B11R1.167 NC(=O)c1cc(ccc1O)N 271570a_203496583355_100015186447 [0,2,0,0,0,0|1,0,0]=3 2254 B11R1.167 NC(=O)c1cc(ccc1O)O 271570a_203496583355_100000192807 [0,2,0,0,0,0|1,0,0]=3 2255 B11R1.167 NC(=O)c1cc(cnc1N)O 271570a_203496583355_100000701294 [0,2,0,0,0,0|2,0,0]=4 2256 B11R1.167 NC(=O)c1cc(cnc1O)F 271570a_203496583355_100012183597 [0,2,0,0,0,0|2,0,0]=4 2257 B11R1.167 NC(=O)c1cc(ncc1F)O 271570a_203496583355_100015943597 [0,2,0,0,0,0|2,0,0]=4 2258 B11R1.167 NC(=O)c1cc(ncc1N)O 271570a_203496583355_100012003536 [0,2,0,0,0,0|2,0,0]=4 2259 B11R1.167 NC(=O)c1nc(ccc1N)O 271570a_203496583355_100000093116 [0,2,0,0,0,0|2,0,0]=4 2260 B11R1.167 OB(O)c1cc(ccc1Br)O 271570a_203496583355_200010171685 [0,2,0,0,0,0|1,0,1]=4 2261 B11R1.167 OB(O)c1cc(ccc1F)O 271570a_203496583355_100011356809 [0,2,0,0,0,0|1,0,1]=4 2262 B11R1.167 OB(O)c1cc(ccc1O)F 271570a_203496583355_200009816908 [0,2,0,0,0,0|1,0,1]=4 2263 B11R1.167 OB(O)c1cc(ccc1O)O 271570a_203496583355_200009814749 [0,2,0,0,0,0|1,0,1]=4 2264 B11R1.167 [13CH3]C(=O)c1cc(ccc1Br)Br 1458a_100000690610_200025704644 [0,2,0,0,0,0|1,0,0]=3 2265 B11R1.167 [13CH3]C(=O)c1cc(ccc1Br)Cl 1458a_100000736951_200025704644 [0,2,0,0,0,0|1,0,0]=3 2266 B11R1.167 [13CH3]C(=O)c1cc(ccc1Br)F 1458a_100000212315_200025704644 [0,2,0,0,0,0|1,0,0]=3 2267 B11R1.167 [13CH3]C(=O)c1cc(ccc1Br)I 1458a_100000698340_200025704644 [0,2,0,0,0,0|1,0,0]=3 2268 B11R1.167 [13CH3]C(=O)c1cc(ccc1Br)O 1458a_100012352043_200025704644 [0,2,0,0,0,0|1,0,0]=3 2269 B11R1.167 [13CH3]C(=O)c1cc(ccc1Cl)Br 1458a_100000211212_200025704644 [0,2,0,0,0,0|1,0,0]=3 2270 B11R1.167 [13CH3]C(=O)c1cc(ccc1Cl)Cl 1458a_100000210642_200025704644 [0,2,0,0,0,0|1,0,0]=3 2271 B11R1.167 [13CH3]C(=O)c1cc(ccc1Cl)F 1458a_100011219680_200025704644 [0,2,0,0,0,0|1,0,0]=3 2272 B11R1.167 [13CH3]C(=O)c1cc(ccc1Cl)I 1458a_100000688013_200025704644 [0,2,0,0,0,0|1,0,0]=3 2273 B11R1.167 [13CH3]C(=O)c1cc(ccc1Cl)O 1458a_100000719527_200025704644 [0,2,0,0,0,0|1,0,0]=3 2274 B11R1.167 [13CH3]C(=O)c1cc(ccc1F)Br 1458a_100000212322_200025704644 [0,2,0,0,0,0|1,0,0]=3 2275 B11R1.167 [13CH3]C(=O)c1cc(ccc1F)Cl 1458a_100000214954_200025704644 [0,2,0,0,0,0|1,0,0]=3 2276 B11R1.167 [13CH3]C(=O)c1cc(ccc1F)F 1458a_100000198512_200025704644 [0,2,0,0,0,0|1,0,0]=3 2277 B11R1.167 [13CH3]C(=O)c1cc(ccc1F)I 1458a_100000688014_200025704644 [0,2,0,0,0,0|1,0,0]=3 2278 B11R1.167 [13CH3]C(=O)c1cc(ccc1F)O 1458a_100000037260_200025704644 [0,2,0,0,0,0|1,0,0]=3 2279 B11R1.167 [13CH3]C(=O)c1cc(ccc1I)Br 1458a_100000183945_200025704644 [0,2,0,0,0,0|1,0,0]=3 2280 B11R1.167 [13CH3]C(=O)c1cc(ccc1I)Cl 1458a_100000739379_200025704644 [0,2,0,0,0,0|1,0,0]=3 2281 B11R1.167 [13CH3]C(=O)c1cc(ccc1I)F 1458a_100000748905_200025704644 [0,2,0,0,0,0|1,0,0]=3 2282 B11R1.167 [13CH3]C(=O)c1cc(ccc1I)I 1458a_100000750460_200025704644 [0,2,0,0,0,0|1,0,0]=3 2283 B11R1.167 [13CH3]C(=O)c1cc(ccc1I)O 1458a_200009995701_200025704644 [0,2,0,0,0,0|1,0,0]=3 2284 B11R1.167 [13CH3]C(=O)c1cc(ccc1O)Br 1458a_100000212140_200025704644 [0,2,0,0,0,0|1,0,0]=3 2285 B11R1.167 [13CH3]C(=O)c1cc(ccc1O)Cl 1458a_100000212143_200025704644 [0,2,0,0,0,0|1,0,0]=3 2286 B11R1.167 [13CH3]C(=O)c1cc(ccc1O)F 1458a_100000742286_200025704644 [0,2,0,0,0,0|1,0,0]=3 2287 B11R1.167 [13CH3]C(=O)c1cc(ccc1O)I 1458a_100000212111_200025704644 [0,2,0,0,0,0|1,0,0]=3 2288 B11R1.167 [13CH3]C(=O)c1cc(ccc1O)O 1458a_100000758025_200025704644 [0,2,0,0,0,0|1,0,0]=3 2289 B11R1.74 C=C(C)c1cc(cc(c1)Br)Br 271570a_100000694244_100009814770 [0,2,0,0,0,0|2,0,0]=4 2290 B11R1.74 C=C(C)c1cc(cc(c1)Br)Cl 271570a_100000694244_100009814755 [0,2,0,0,0,0|2,0,0]=4 2291 B11R1.74 C=C(C)c1cc(cc(c1)Br)F 271570a_100000694244_100009814764 [0,2,0,0,0,0|2,0,0]=4 2292 B11R1.74 C=C(C)c1cc(cc(c1)Br)N 271570a_100000694244_100009814763 [0,2,0,0,0,0|2,0,0]=4 2293 B11R1.74 C=C(C)c1cc(cc(c1)Br)O 271570a_100000694244_100010068917 [0,2,0,0,0,0|2,0,0]=4 2294 B11R1.74 C=C(C)c1cc(cc(c1)C)C 271570a_100000694244_100011215608 [0,2,0,0,0,0|2,0,0]=4 2295 B11R1.74 C=C(C)c1cc(cc(c1)Cl)C 271570a_100000694244_100010172791 [0,2,0,0,0,0|2,0,0]=4 2296 B11R1.74 C=C(C)c1cc(cc(c1)Cl)Cl 271570a_100000694244_100000747138 [0,2,0,0,0,0|2,0,0]=4 2297 B11R1.74 C=C(C)c1cc(cc(c1)Cl)F 271570a_100000694244_100013859453 [0,2,0,0,0,0|2,0,0]=4 2298 B11R1.74 C=C(C)c1cc(cc(c1)Cl)N 271570a_100000694244_100010147676 [0,2,0,0,0,0|2,0,0]=4 2299 B11R1.74 C=C(C)c1cc(cc(c1)Cl)O 271570a_100000694244_100010068924 [0,2,0,0,0,0|2,0,0]=4 2300 B11R1.74 C=C(C)c1cc(cc(c1)F)C 271570a_100000694244_100011356977 [0,2,0,0,0,0|2,0,0]=4 2301 B11R1.74 C=C(C)c1cc(cc(c1)F)F 271570a_100000694244_100011218498 [0,2,0,0,0,0|2,0,0]=4 2302 B11R1.74 C=C(C)c1cc(cc(c1)F)N 271570a_100000694244_100011356972 [0,2,0,0,0,0|2,0,0]=4 2303 B11R1.74 C=C(C)c1cc(cc(c1)F)O 271570a_100000694244_100000717995 [0,2,0,0,0,0|2,0,0]=4 2304 B11R1.74 C=C(C)c1cc(cc(c1)N)C 271570a_100000694244_100000695972 [0,2,0,0,0,0|2,0,0]=4 2305 B11R1.74 C=C(C)c1cc(cc(c1)N)N 271570a_100000694244_100011999608 [0,2,0,0,0,0|2,0,0]=4 2306 B11R1.74 C=C(C)c1cc(cc(c1)O)C 271570a_100000694244_100011999630 [0,2,0,0,0,0|2,0,0]=4 2307 B11R1.74 C=C(C)c1cc(cc(c1)O)O 271570a_100000694244_100009868816 [0,2,0,0,0,0|2,0,0]=4 2308 B11R1.74 CC(=O)c1cc(cc(c1)Br)Br 1458a_100000687083_200000210301 [0,2,0,0,0,0|1,0,0]=3 2309 B11R1.74 CC(=O)c1cc(cc(c1)Br)C 1458a_100000760426_200000210301 [0,2,0,0,0,0|1,0,0]=3 2310 B11R1.74 CC(=O)c1cc(cc(c1)Br)Cl 1458a_100000687899_200000210301 [0,2,0,0,0,0|1,0,0]=3 2311 B11R1.74 CC(=O)c1cc(cc(c1)Br)F 1458a_100000739618_200000210301 [0,2,0,0,0,0|1,0,0]=3 2312 B11R1.74 CC(=O)c1cc(cc(c1)Br)O 1458a_100011934545_200000210301 [0,2,0,0,0,0|1,0,0]=3 2313 B11R1.74 CC(=O)c1cc(cc(c1)Br)O 271570a_203496583355_100010005435 [0,2,0,0,0,0|1,0,0]=3 2314 B11R1.74 CC(=O)c1cc(cc(c1)C)C 1458a_100000210874_200000210301 [0,2,0,0,0,0|1,0,0]=3 2315 B11R1.74 CC(=O)c1cc(cc(c1)Cl)C 1458a_100000684526_200000210301 [0,2,0,0,0,0|1,0,0]=3 2316 B11R1.74 CC(=O)c1cc(cc(c1)Cl)Cl 1458a_100000210701_200000210301 [0,2,0,0,0,0|1,0,0]=3 2317 B11R1.74 CC(=O)c1cc(cc(c1)Cl)F 1458a_100000685768_200000210301 [0,2,0,0,0,0|1,0,0]=3 2318 B11R1.74 CC(=O)c1cc(cc(c1)Cl)O 1458a_100011997059_200000210301 [0,2,0,0,0,0|1,0,0]=3 2319 B11R1.74 CC(=O)c1cc(cc(c1)F)C 1458a_100000763163_200000210301 [0,2,0,0,0,0|1,0,0]=3 2320 B11R1.74 CC(=O)c1cc(cc(c1)F)F 1458a_100000211655_200000210301 [0,2,0,0,0,0|1,0,0]=3 2321 B11R1.74 CC(=O)c1cc(cc(c1)F)O 1458a_100012017291_200000210301 [0,2,0,0,0,0|1,0,0]=3 2322 B11R1.74 CC(=O)c1cc(cc(c1)F)O 271570a_203496583355_100012361402 [0,2,0,0,0,0|1,0,0]=3 2323 B11R1.74 CC(=O)c1cc(cc(c1)I)Br 1458a_100000689235_200000210301 [0,2,0,0,0,0|1,0,0]=3 2324 B11R1.74 CC(=O)c1cc(cc(c1)I)C 1458a_100000729426_200000210301 [0,2,0,0,0,0|1,0,0]=3 2325 B11R1.74 CC(=O)c1cc(cc(c1)I)Cl 1458a_100012047205_200000210301 [0,2,0,0,0,0|1,0,0]=3 2326 B11R1.74 CC(=O)c1cc(cc(c1)I)F 1458a_100012047268_200000210301 [0,2,0,0,0,0|1,0,0]=3 2327 B11R1.74 CC(=O)c1cc(cc(c1)I)I 1458a_100011204819_200000210301 [0,2,0,0,0,0|1,0,0]=3 2328 B11R1.74 CC(=O)c1cc(cc(c1)O)C 1458a_100000094094_200000210301 [0,2,0,0,0,0|1,0,0]=3 2329 B11R1.74 CC(=O)c1cc(cc(c1)O)C 271570a_203496583355_100000694479 [0,2,0,0,0,0|1,0,0]=3 2330 B11R1.74 CC(=O)c1cc(nc(c1)O)C 271570a_203496583355_100009884196 [0,2,0,0,0,0|2,0,0]=4 2331 B11R1.74 Cc1cc(cc(c1)B(O)O)O 271570a_203496583355_100009814731 [0,2,0,0,0,0|1,0,1]=4 2332 B11R1.74 Cc1cc(cc(c1)C(=O)N)O 271570a_203496583355_200012348365 [0,2,0,0,0,0|1,0,0]=3 2333 B11R1.74 Cc1cc(cc(c1)C(=O)[13CH3])Br 1458a_100000760426_200025704644 [0,2,0,0,0,0|1,0,0]=3 2334 B11R1.74 Cc1cc(cc(c1)C(=O)[13CH3])C 1458a_100000210874_200025704644 [0,2,0,0,0,0|1,0,0]=3 2335 B11R1.74 Cc1cc(cc(c1)C(=O)[13CH3])Cl 1458a_100000684526_200025704644 [0,2,0,0,0,0|1,0,0]=3 2336 B11R1.74 Cc1cc(cc(c1)C(=O)[13CH3])F 1458a_100000763163_200025704644 [0,2,0,0,0,0|1,0,0]=3 2337 B11R1.74 Cc1cc(cc(c1)C(=O)[13CH3])I 1458a_100000729426_200025704644 [0,2,0,0,0,0|1,0,0]=3 2338 B11R1.74 Cc1cc(cc(c1)C(=O)[13CH3])O 1458a_100000094094_200025704644 [0,2,0,0,0,0|1,0,0]=3 2339 B11R1.74 NC(=O)c1cc(cc(c1)F)O 271570a_203496583355_200011280034 [0,2,0,0,0,0|1,0,0]=3 2340 B11R1.74 NC(=O)c1cc(cc(c1)O)O 271570a_203496583355_100010084318 [0,2,0,0,0,0|1,0,0]=3 2341 B11R1.74 OB(O)c1cc(cc(c1)F)O 271570a_203496583355_100009814746 [0,2,0,0,0,0|1,0,1]=4 2342 B11R1.74 OB(O)c1cc(cc(c1)O)O 271570a_203496583355_100010062373 [0,2,0,0,0,0|1,0,1]=4 2343 B11R1.74 [13CH3]C(=O)c1cc(cc(c1)Br)Br 1458a_100000687083_200025704644 [0,2,0,0,0,0|1,0,0]=3 2344 B11R1.74 [13CH3]C(=O)c1cc(cc(c1)Br)Cl 1458a_100000687899_200025704644 [0,2,0,0,0,0|1,0,0]=3 2345 B11R1.74 [13CH3]C(=O)c1cc(cc(c1)Br)F 1458a_100000739618_200025704644 [0,2,0,0,0,0|1,0,0]=3 2346 B11R1.74 [13CH3]C(=O)c1cc(cc(c1)Br)O 1458a_100011934545_200025704644 [0,2,0,0,0,0|1,0,0]=3 2347 B11R1.74 [13CH3]C(=O)c1cc(cc(c1)Cl)Cl 1458a_100000210701_200025704644 [0,2,0,0,0,0|1,0,0]=3 2348 B11R1.74 [13CH3]C(=O)c1cc(cc(c1)Cl)F 1458a_100000685768_200025704644 [0,2,0,0,0,0|1,0,0]=3 2349 B11R1.74 [13CH3]C(=O)c1cc(cc(c1)Cl)O 1458a_100011997059_200025704644 [0,2,0,0,0,0|1,0,0]=3 2350 B11R1.74 [13CH3]C(=O)c1cc(cc(c1)F)F 1458a_100000211655_200025704644 [0,2,0,0,0,0|1,0,0]=3 2351 B11R1.74 [13CH3]C(=O)c1cc(cc(c1)F)O 1458a_100012017291_200025704644 [0,2,0,0,0,0|1,0,0]=3 2352 B11R1.74 [13CH3]C(=O)c1cc(cc(c1)I)Br 1458a_100000689235_200025704644 [0,2,0,0,0,0|1,0,0]=3 2353 B11R1.74 [13CH3]C(=O)c1cc(cc(c1)I)Cl 1458a_100012047205_200025704644 [0,2,0,0,0,0|1,0,0]=3 2354 B11R1.74 [13CH3]C(=O)c1cc(cc(c1)I)F 1458a_100012047268_200025704644 [0,2,0,0,0,0|1,0,0]=3 2355 B11R1.74 [13CH3]C(=O)c1cc(cc(c1)I)I 1458a_100011204819_200025704644 [0,2,0,0,0,0|1,0,0]=3 2356 B11R1.266 C#Cc1cccc(c1)C(=O)C 1458a_100011997762_200000210301 [0,2,0,0,0,0|1,0,0]=3 2357 B11R1.266 C#Cc1cccc(c1)C(=O)[13CH3] 1458a_100011997762_200025704644 [0,2,0,0,0,0|1,0,0]=3 2358 B11R1.266 C=C(C)c1cccc(c1)C#N 271570a_100000694244_100000189340 [0,2,0,0,0,0|2,0,0]=4 2359 B11R1.266 C=C(C)c1cccc(c1)C=O 271570a_100000694244_100000014684 [0,2,0,0,0,0|2,0,0]=4 2360 B11R1.266 C=C(C)c1cccc(c1)CC 271570a_100000694244_100000684523 [0,2,0,0,0,0|2,0,0]=4 2361 B11R1.266 C=C(C)c1cccc(c1)CF 271570a_100000694244_100010878472 [0,2,0,0,0,0|2,0,0]=4 2362 B11R1.266 C=C(C)c1cccc(c1)CN 271570a_100000694244_100000106179 [0,2,0,0,0,0|2,0,0]=4 2363 B11R1.266 C=C(C)c1cccc(c1)CO 271570a_100000694244_100000687537 [0,2,0,0,0,0|2,0,0]=4 2364 B11R1.266 C=C(C)c1cccc(c1)NC 271570a_100000694244_100000219648 [0,2,0,0,0,0|2,0,0]=4 2365 B11R1.266 C=C(C)c1cccc(c1)NN 271570a_100000694244_100000217339 [0,2,0,0,0,0|2,0,0]=4 2366 B11R1.266 C=C(C)c1cccc(c1)OC 271570a_100000694244_100000170001 [0,2,0,0,0,0|2,0,0]=4 2367 B11R1.266 C=C(C)c1cccc(c1)SC 271570a_100000694244_100011215954 [0,2,0,0,0,0|2,0,0]=4 2368 B11R1.266 C=C(C)c1cccc(c1)SC 62a_100012123953_200000210301 [0,2,0,0,0,0|2,0,0]=4 2369 B11R1.266 C=C(C)c1cccc(c1)SC 62a_200000210301_100012123953 [0,2,0,0,0,0|2,0,0]=4 2370 B11R1.266 C=C(C)c1cccc(c1)S[13CH3] 62a_100012123953_200025704644 [0,2,0,0,0,0|2,0,0]=4 2371 B11R1.266 C=C(C)c1cccc(c1)S[13CH3] 62a_200025704644_100012123953 [0,2,0,0,0,0|2,0,0]=4 2372 B11R1.266 C=Cc1cc(ccn1)C(=O)C 271570a_100011290941_100000685609 [0,2,0,0,0,0|2,0,0]=4 2373 B11R1.266 C=Cc1cc(ccn1)C(=O)N 271570a_100011290941_100000229836 [0,2,0,0,0,0|2,0,0]=4 2374 B11R1.266 C=Cc1cccc(c1)B(O)O 271570a_100011290941_100000687717 [0,2,0,0,0,0|1,0,1]=4 2375 B11R1.266 C=Cc1cccc(c1)C(=C)C 271570a_100011290941_100012123953 [0,2,0,0,0,0|2,0,0]=4 2376 B11R1.266 C=Cc1cccc(c1)C(=O)C 1458a_100011215009_200000210301 [0,2,0,0,0,0|1,0,0]=3 2377 B11R1.266 C=Cc1cccc(c1)C(=O)C 271570a_100011290941_100000210093 [0,2,0,0,0,0|1,0,0]=3 2378 B11R1.266 C=Cc1cccc(c1)C(=O)N 271570a_100011290941_100000162208 [0,2,0,0,0,0|1,0,0]=3 2379 B11R1.266 C=Cc1cccc(c1)C(=O)[13CH3] 1458a_100011215009_200025704644 [0,2,0,0,0,0|1,0,0]=3 2380 B11R1.266 C=Cc1cccc(c1)C(C)O 271570a_100011290941_100000246457 [0,2,0,0,0,0|1,0,1]=4 2381 B11R1.266 C=Cc1cccc(c1)S(=O)C 271570a_100011290941_100009816267 [0,2,0,0,0,0|2,0,0]=4 2382 B11R1.266 C=Cc1cccc(n1)C(=O)C 271570a_100011290941_100009816502 [0,2,0,0,0,0|2,0,0]=4 2383 B11R1.266 C=Cc1cccc(n1)C(=O)N 271570a_100011290941_100011834053 [0,2,0,0,0,0|2,0,0]=4 2384 B11R1.266 C=Cc1ccnc(c1)C(=O)C 271570a_100011290941_100000709912 [0,2,0,0,0,0|2,0,0]=4 2385 B11R1.266 C=Cc1ccnc(c1)C(=O)N 271570a_100011290941_100000229564 [0,2,0,0,0,0|2,0,0]=4 2386 B11R1.266 C=Cc1cncc(c1)C(=O)C 271570a_100011290941_100011216243 [0,2,0,0,0,0|2,0,0]=4 2387 B11R1.266 C=Cc1cncc(c1)C(=O)N 271570a_100011290941_100000162242 [0,2,0,0,0,0|2,0,0]=4 2388 B11R1.266 CC(=O)c1cc(ccn1)S[13CH3] 62a_100000709912_200025704644 [0,2,0,0,0,0|2,0,0]=4 2389 B11R1.266 CC(=O)c1cc(ccn1)S[13CH3] 62a_200025704644_100000709912 [0,2,0,0,0,0|2,0,0]=4 2390 B11R1.266 CC(=O)c1cccc(c1)C#N 1458a_100000183950_200000210301 [0,2,0,0,0,0|1,0,0]=3 2391 B11R1.266 CC(=O)c1cccc(c1)CO 1458a_100000746274_200000210301 [0,2,0,0,0,0|1,0,0]=3 2392 B11R1.266 CC(=O)c1cccc(c1)O[13CH3] 34a_100000211620_200025704644 [0,2,0,0,0,0|1,0,0]=3 2393 B11R1.266 CC(=O)c1cccc(c1)O[13CH3] 7a_100000211620_200025704644 [0,2,0,0,0,0|1,0,0]=3 2394 B11R1.266 CC(=O)c1cccc(c1)S[13CH3] 62a_100000210093_200025704644 [0,2,0,0,0,0|1,0,0]=3 2395 B11R1.266 CC(=O)c1cccc(c1)S[13CH3] 62a_200025704644_100000210093 [0,2,0,0,0,0|1,0,0]=3 2396 B11R1.266 CC(=O)c1cccc(n1)S[13CH3] 62a_100009816502_200025704644 [0,2,0,0,0,0|2,0,0]=4 2397 B11R1.266 CC(=O)c1cccc(n1)S[13CH3] 62a_200025704644_100009816502 [0,2,0,0,0,0|2,0,0]=4 2398 B11R1.266 CC(=O)c1ccnc(c1)S[13CH3] 62a_100000685609_200025704644 [0,2,0,0,0,0|2,0,0]=4 2399 B11R1.266 CC(=O)c1ccnc(c1)S[13CH3] 62a_200025704644_100000685609 [0,2,0,0,0,0|2,0,0]=4 2400 B11R1.266 CC(=O)c1cncc(c1)S[13CH3] 62a_100011216243_200025704644 [0,2,0,0,0,0|2,0,0]=4 2401 B11R1.266 CC(=O)c1cncc(c1)S[13CH3] 62a_200025704644_100011216243 [0,2,0,0,0,0|2,0,0]=4 2402 B11R1.266 CC(O)c1cccc(c1)N[13CH3] 2230a_100011217120_200025704644 [0,2,0,0,0,0|1,0,1]=4 2403 B11R1.266 CC(O)c1cccc(c1)N[13CH3] 34a_100011217120_200025704644 [0,2,0,0,0,0|1,0,1]=4 2404 B11R1.266 CC(O)c1cccc(c1)O[13CH3] 34a_100000748013_200025704644 [0,2,0,0,0,0|1,0,1]=4 2405 B11R1.266 CC(O)c1cccc(c1)O[13CH3] 7a_100000748013_200025704644 [0,2,0,0,0,0|1,0,1]=4 2406 B11R1.266 CC(O)c1cccc(c1)S[13CH3] 62a_100000246457_200025704644 [0,2,0,0,0,0|1,0,1]=4 2407 B11R1.266 CC(O)c1cccc(c1)S[13CH3] 62a_200025704644_100000246457 [0,2,0,0,0,0|1,0,1]=4 2408 B11R1.266 CCc1cccc(c1)C(=O)C 1458a_100011933908_200000210301 [0,2,0,0,0,0|1,0,0]=3 2409 B11R1.266 CCc1cccc(c1)C(=O)[13CH3] 1458a_100011933908_200025704644 [0,2,0,0,0,0|1,0,0]=3 2410 B11R1.266 CNc1cccc(c1)C(=O)N 34a_100000217337_200000210301 [0,2,0,0,0,0|1,0,0]=3 2411 B11R1.266 CNc1cccc(c1)C(C)O 2230a_100011217120_200000210301 [0,2,0,0,0,0|1,0,1]=4 2412 B11R1.266 CNc1cccc(c1)C(C)O 34a_100011217120_200000210301 [0,2,0,0,0,0|1,0,1]=4 2413 B11R1.266 CNc1cccc(c1)[N+](=O)[O-] 34a_100000184103_200000210301 [0,2,0,0,0,0|1,0,1]=4 2414 B11R1.266 CNc1cccc(n1)C(=O)C 27a_100102657272_100000085735 [0,2,0,0,0,0|2,0,0]=4 2415 B11R1.266 CNc1cccc(n1)C(=O)N 27a_100102657272_100011834053 [0,2,0,0,0,0|2,0,0]=4 2416 B11R1.266 CNc1ccnc(c1)C(=O)N 27a_100102657272_100000229564 [0,2,0,0,0,0|2,0,0]=4 2417 B11R1.266 COc1cccc(c1)C(=O)C 1458a_100000188888_200000210301 [0,2,0,0,0,0|1,0,0]=3 2418 B11R1.266 COc1cccc(c1)C(=O)C 34a_100000211620_200000210301 [0,2,0,0,0,0|1,0,0]=3 2419 B11R1.266 COc1cccc(c1)C(=O)C 7a_100000211620_200000210301 [0,2,0,0,0,0|1,0,0]=3 2420 B11R1.266 COc1cccc(c1)C(=O)N 34a_100000162170_200000210301 [0,2,0,0,0,0|1,0,0]=3 2421 B11R1.266 COc1cccc(c1)C(=O)N 7a_100000162170_200000210301 [0,2,0,0,0,0|1,0,0]=3 2422 B11R1.266 COc1cccc(c1)C(=O)[13CH3] 1458a_100000188888_200025704644 [0,2,0,0,0,0|1,0,0]=3 2423 B11R1.266 COc1cccc(c1)C(=S)N 7a_100000738086_200000210301 [0,2,0,0,0,0|1,1,0]=4 2424 B11R1.266 COc1cccc(c1)C(C)O 34a_100000748013_200000210301 [0,2,0,0,0,0|1,0,1]=4 2425 B11R1.266 COc1cccc(c1)C(C)O 7a_100000748013_200000210301 [0,2,0,0,0,0|1,0,1]=4 2426 B11R1.266 COc1cccc(c1)[N+](=O)[O-] 34a_100000185994_200000210301 [0,2,0,0,0,0|1,0,1]=4 2427 B11R1.266 COc1cccc(c1)[N+](=O)[O-] 7a_100000185994_200000210301 [0,2,0,0,0,0|1,0,1]=4 2428 B11R1.266 COc1cncc(c1)C(=O)N 7a_100000698036_200000210301 [0,2,0,0,0,0|2,0,0]=4 2429 B11R1.266 CS(=O)c1cccc(c1)S[13CH3] 62a_100009816267_200025704644 [0,2,0,0,0,0|2,0,0]=4 2430 B11R1.266 CS(=O)c1cccc(c1)S[13CH3] 62a_200025704644_100009816267 [0,2,0,0,0,0|2,0,0]=4 2431 B11R1.266 CSc1cc(ccn1)C(=O)C 62a_100000685609_200000210301 [0,2,0,0,0,0|2,0,0]=4 2432 B11R1.266 CSc1cc(ccn1)C(=O)C 62a_200000210301_100000685609 [0,2,0,0,0,0|2,0,0]=4 2433 B11R1.266 CSc1cc(ccn1)C(=O)N 62a_100000229836_200000210301 [0,2,0,0,0,0|2,0,0]=4 2434 B11R1.266 CSc1cc(ccn1)C(=O)N 62a_200000210301_100000229836 [0,2,0,0,0,0|2,0,0]=4 2435 B11R1.266 CSc1cccc(c1)B(O)O 62a_100000687717_200000210301 [0,2,0,0,0,0|1,0,1]=4 2436 B11R1.266 CSc1cccc(c1)B(O)O 62a_200000210301_100000687717 [0,2,0,0,0,0|1,0,1]=4 2437 B11R1.266 CSc1cccc(c1)C(=O)C 1458a_100011217804_200000210301 [0,2,0,0,0,0|1,0,0]=3 2438 B11R1.266 CSc1cccc(c1)C(=O)C 62a_100000210093_200000210301 [0,2,0,0,0,0|1,0,0]=3 2439 B11R1.266 CSc1cccc(c1)C(=O)C 62a_200000210301_100000210093 [0,2,0,0,0,0|1,0,0]=3 2440 B11R1.266 CSc1cccc(c1)C(=O)N 62a_100000162208_200000210301 [0,2,0,0,0,0|1,0,0]=3 2441 B11R1.266 CSc1cccc(c1)C(=O)N 62a_200000210301_100000162208 [0,2,0,0,0,0|1,0,0]=3 2442 B11R1.266 CSc1cccc(c1)C(=O)[13CH3] 1458a_100011217804_200025704644 [0,2,0,0,0,0|1,0,0]=3 2443 B11R1.266 CSc1cccc(c1)C(C)O 62a_100000246457_200000210301 [0,2,0,0,0,0|1,0,1]=4 2444 B11R1.266 CSc1cccc(c1)C(C)O 62a_200000210301_100000246457 [0,2,0,0,0,0|1,0,1]=4 2445 B11R1.266 CSc1cccc(c1)S(=O)C 62a_100009816267_200000210301 [0,2,0,0,0,0|2,0,0]=4 2446 B11R1.266 CSc1cccc(c1)S(=O)C 62a_200000210301_100009816267 [0,2,0,0,0,0|2,0,0]=4 2447 B11R1.266 CSc1cccc(n1)C(=O)C 62a_100009816502_200000210301 [0,2,0,0,0,0|2,0,0]=4 2448 B11R1.266 CSc1cccc(n1)C(=O)C 62a_200000210301_100009816502 [0,2,0,0,0,0|2,0,0]=4 2449 B11R1.266 CSc1cccc(n1)C(=O)N 62a_100011834053_200000210301 [0,2,0,0,0,0|2,0,0]=4 2450 B11R1.266 CSc1cccc(n1)C(=O)N 62a_200000210301_100011834053 [0,2,0,0,0,0|2,0,0]=4 2451 B11R1.266 CSc1ccnc(c1)C(=O)C 62a_100000709912_200000210301 [0,2,0,0,0,0|2,0,0]=4 2452 B11R1.266 CSc1ccnc(c1)C(=O)C 62a_200000210301_100000709912 [0,2,0,0,0,0|2,0,0]=4 2453 B11R1.266 CSc1ccnc(c1)C(=O)N 62a_100000229564_200000210301 [0,2,0,0,0,0|2,0,0]=4 2454 B11R1.266 CSc1ccnc(c1)C(=O)N 62a_200000210301_100000229564 [0,2,0,0,0,0|2,0,0]=4 2455 B11R1.266 CSc1cncc(c1)C(=O)C 62a_100011216243_200000210301 [0,2,0,0,0,0|2,0,0]=4 2456 B11R1.266 CSc1cncc(c1)C(=O)C 62a_200000210301_100011216243 [0,2,0,0,0,0|2,0,0]=4 2457 B11R1.266 CSc1cncc(c1)C(=O)N 62a_100000162242_200000210301 [0,2,0,0,0,0|2,0,0]=4 2458 B11R1.266 CSc1cncc(c1)C(=O)N 62a_200000210301_100000162242 [0,2,0,0,0,0|2,0,0]=4 2459 B11R1.266 [13CH3]C(=O)c1cccc(c1)C#N 1458a_100000183950_200025704644 [0,2,0,0,0,0|1,0,0]=3 2460 B11R1.266 [13CH3]C(=O)c1cccc(c1)CO 1458a_100000746274_200025704644 [0,2,0,0,0,0|1,0,0]=3 2461 B11R1.266 [13CH3]Nc1cccc(c1)C(=O)N 34a_100000217337_200025704644 [0,2,0,0,0,0|1,0,0]=3 2462 B11R1.266 [13CH3]Nc1cccc(c1)[N+](=O)[O-] 34a_100000184103_200025704644 [0,2,0,0,0,0|1,0,1]=4 2463 B11R1.266 [13CH3]Oc1cccc(c1)C(=O)N 34a_100000162170_200025704644 [0,2,0,0,0,0|1,0,0]=3 2464 B11R1.266 [13CH3]Oc1cccc(c1)C(=O)N 7a_100000162170_200025704644 [0,2,0,0,0,0|1,0,0]=3 2465 B11R1.266 [13CH3]Oc1cccc(c1)C(=S)N 7a_100000738086_200025704644 [0,2,0,0,0,0|1,1,0]=4 2466 B11R1.266 [13CH3]Oc1cccc(c1)[N+](=O)[O-] 34a_100000185994_200025704644 [0,2,0,0,0,0|1,0,1]=4 2467 B11R1.266 [13CH3]Oc1cccc(c1)[N+](=O)[O-] 7a_100000185994_200025704644 [0,2,0,0,0,0|1,0,1]=4 2468 B11R1.266 [13CH3]Oc1cncc(c1)C(=O)N 7a_100000698036_200025704644 [0,2,0,0,0,0|2,0,0]=4 2469 B11R1.266 [13CH3]Sc1cc(ccn1)C(=O)N 62a_100000229836_200025704644 [0,2,0,0,0,0|2,0,0]=4 2470 B11R1.266 [13CH3]Sc1cc(ccn1)C(=O)N 62a_200025704644_100000229836 [0,2,0,0,0,0|2,0,0]=4 2471 B11R1.266 [13CH3]Sc1cccc(c1)B(O)O 62a_100000687717_200025704644 [0,2,0,0,0,0|1,0,1]=4 2472 B11R1.266 [13CH3]Sc1cccc(c1)B(O)O 62a_200025704644_100000687717 [0,2,0,0,0,0|1,0,1]=4 2473 B11R1.266 [13CH3]Sc1cccc(c1)C(=O)N 62a_100000162208_200025704644 [0,2,0,0,0,0|1,0,0]=3 2474 B11R1.266 [13CH3]Sc1cccc(c1)C(=O)N 62a_200025704644_100000162208 [0,2,0,0,0,0|1,0,0]=3 2475 B11R1.266 [13CH3]Sc1cccc(n1)C(=O)N 62a_100011834053_200025704644 [0,2,0,0,0,0|2,0,0]=4 2476 B11R1.266 [13CH3]Sc1cccc(n1)C(=O)N 62a_200025704644_100011834053 [0,2,0,0,0,0|2,0,0]=4 2477 B11R1.266 [13CH3]Sc1ccnc(c1)C(=O)N 62a_100000229564_200025704644 [0,2,0,0,0,0|2,0,0]=4 2478 B11R1.266 [13CH3]Sc1ccnc(c1)C(=O)N 62a_200025704644_100000229564 [0,2,0,0,0,0|2,0,0]=4 2479 B11R1.266 [13CH3]Sc1cncc(c1)C(=O)N 62a_100000162242_200025704644 [0,2,0,0,0,0|2,0,0]=4 2480 B11R1.266 [13CH3]Sc1cncc(c1)C(=O)N 62a_200025704644_100000162242 [0,2,0,0,0,0|2,0,0]=4 2481 B11R2.10 Oc1cc2ccccc2[nH]1 271570a_203496583355_100010232065 [0,0,0,1,0,1|1,0,0]=3 2482 B11R2.10 Oc1cc2ccccc2o1 271570a_203496583355_100010159458 [0,0,0,1,0,1|0,0,1]=3 2483 B11R2.10 Oc1cc2ccccc2s1 271570a_203496583355_100009816949 [0,0,0,1,0,1|0,1,0]=3 2484 B11R2.10 Oc1cc2cccnc2[nH]1 271570a_203496583355_100010079843 [0,0,0,1,0,1|2,0,0]=4 2485 B11R2.10 Oc1cn2ccccc2n1 271570a_203496583355_100009819586 [0,0,0,1,0,1|2,0,0]=4 2486 B11R2.10 Oc1nc2ccccc2[nH]1 271570a_203496583355_100009814255 [0,0,0,1,0,1|1,0,0]=3 2487 B11R2.10 Oc1nc2ccccc2s1 271570a_203496583355_100000751744 [0,0,0,1,0,1|0,1,0]=3 2488 B11R2.10 Oc1nc2cccnc2s1 271570a_203496583355_100010188088 [0,0,0,1,0,1|1,1,0]=4 2489 B11R2.1 Oc1c[nH]c2c1cccn2 271570a_203496583355_100011934613 [0,1,0,1,0,0|2,0,0]=4 2490 B11R2.1 Oc1c[nH]c2c1ccnc2 271570a_203496583355_100010232032 [0,1,0,1,0,0|2,0,0]=4 2491 B11R2.1 Oc1c[nH]c2c1cncc2 271570a_203496583355_100011934843 [0,1,0,1,0,0|2,0,0]=4 2492 B11R2.1 Oc1c[nH]c2c1nccc2 271570a_203496583355_100009817151 [0,1,0,1,0,0|2,0,0]=4 2493 B11R2.1 Oc1cnc2n1cccc2 271570a_203496583355_100011219245 [0,1,0,1,0,0|2,0,0]=4 2494 B11R2.1 Oc1cnn2c1cccc2 271570a_203496583355_100009817726 [0,1,0,1,0,0|2,0,0]=4 2495 B11R2.1 Oc1coc2c1cccc2 271570a_203496583355_100009812202 [0,1,0,1,0,0|0,0,1]=3 2496 B11R2.1 Oc1coc2c1nccc2 271570a_203496583355_100009889148 [0,1,0,1,0,0|1,0,1]=4 2497 B11R2.1 Oc1csc2c1cccc2 271570a_203496583355_100009813928 [0,1,0,1,0,0|0,1,0]=3 2498 B11R2.1 Oc1csc2c1cccn2 271570a_203496583355_100009830249 [0,1,0,1,0,0|1,1,0]=4 2499 B11R2.1 Oc1csc2c1ccnc2 271570a_203496583355_100009817111 [0,1,0,1,0,0|1,1,0]=4 2500 B11R2.1 Oc1csc2c1cncc2 271570a_203496583355_100010247091 [0,1,0,1,0,0|1,1,0]=4 2501 B11R2.1 Oc1csc2c1nccc2 271570a_203496583355_100010247092 [0,1,0,1,0,0|1,1,0]=4 2502 B11R2.1 Oc1n[nH]c2c1cccc2 271570a_203496583355_100000050141 [0,1,0,1,0,0|1,0,0]=3 2503 B11R2.1 Oc1n[nH]c2c1cccn2 271570a_203496583355_100009888962 [0,1,0,1,0,0|2,0,0]=4 2504 B11R2.1 Oc1n[nH]c2c1ccnc2 271570a_203496583355_100010244369 [0,1,0,1,0,0|2,0,0]=4 2505 B11R2.1 Oc1n[nH]c2c1cncc2 271570a_203496583355_100010724670 [0,1,0,1,0,0|2,0,0]=4 2506 B11R2.1 Oc1n[nH]c2c1nccc2 271570a_203496583355_100009817118 [0,1,0,1,0,0|2,0,0]=4 2507 B11R2.1 Oc1ncn2c1cccc2 271570a_203496583355_100000688344 [0,1,0,1,0,0|2,0,0]=4 2508 B11R2.1 Oc1nnc2n1cccc2 271570a_203496583355_100000699609 [0,1,0,1,0,0|2,0,0]=4 2509 B7R1.1 C=Cc1ccco1 271570a_100011290941_100009814098 [1,0,0,0,1,0|2,0,0]=4 2510 B7R1.1 C=Cc1cccs1 271570a_100011290941_100011215356 [1,0,0,0,1,0|2,0,0]=4 2511 B7R1.1 C=Cc1ccoc1 271570a_100011290941_100011215275 [1,0,0,0,1,0|2,0,0]=4 2512 B7R1.1 C=Cc1ccsc1 271570a_100011290941_100000738268 [1,0,0,0,1,0|2,0,0]=4 2513 B11R1.91 C=C(C)CNc1ccccc1 34a_100000106764_100000748629 [0,0,0,0,0,2|2,0,0]=4 2514 B11R1.91 C=C(C)COc1ccccc1 34a_100000210340_100000748629 [0,0,0,0,0,2|2,0,0]=4 2515 B11R1.91 C=C(C)COc1ccccc1 7a_100000210340_100000748629 [0,0,0,0,0,2|2,0,0]=4 2516 B11R1.91 C=C(C)CSc1ccccc1 62a_100000719477_100000211660 [0,0,0,0,0,2|2,0,0]=4 2517 B11R1.91 C=C(C)CSc1ccccc1 62a_100000748629_100000041952 [0,0,0,0,0,2|2,0,0]=4 2518 B11R1.91 C=C(F)CNc1ccccc1 34a_100000106764_100009893438 [0,0,0,0,0,2|2,0,0]=4 2519 B11R1.91 C=C(F)COc1ccccc1 34a_100000210340_100009893438 [0,0,0,0,0,2|2,0,0]=4 2520 B11R1.91 C=C(F)COc1ccccc1 7a_100000210340_100000042424 [0,0,0,0,0,2|2,0,0]=4 2521 B11R1.91 C=C(F)CSc1ccccc1 62a_100000042424_100000041952 [0,0,0,0,0,2|2,0,0]=4 2522 B11R1.91 C=C(F)CSc1ccccc1 62a_100000719477_100000042424 [0,0,0,0,0,2|2,0,0]=4 2523 B11R1.91 CC(=O)C#Cc1ccccc1 1458a_100000736102_200000210301 [0,0,0,0,0,2|1,0,0]=3 2524 B11R1.91 CC(=O)C#Cc1ccccn1 1458a_102125277312_200000210301 [0,0,0,0,0,2|2,0,0]=4 2525 B11R1.91 CC(=O)C=Cc1ccccc1 1458a_100000210462_200000210301 [0,0,0,0,0,2|1,0,0]=3 2526 B11R1.91 CC(=O)C=Cc1ccccn1 1458a_100000740811_200000210301 [0,0,0,0,0,2|2,0,0]=4 2527 B11R1.91 CC(=O)C=Cc1cccnc1 1458a_100000735890_200000210301 [0,0,0,0,0,2|2,0,0]=4 2528 B11R1.91 CC(=O)C=Cc1ccncc1 1458a_100000682801_200000210301 [0,0,0,0,0,2|2,0,0]=4 2529 B11R1.91 CC(=O)CCc1ccccc1 1458a_100000070787_100000765856 [0,0,0,0,0,2|1,0,0]=3 2530 B11R1.91 CC(=O)CCc1ccccc1 1458a_100000185753_200000210301 [0,0,0,0,0,2|1,0,0]=3 2531 B11R1.91 CC(=O)CCc1ccccn1 1458a_100000070787_100015183660 [0,0,0,0,0,2|2,0,0]=4 2532 B11R1.91 CC(=O)CCc1ccccn1 1458a_100015195070_200000210301 [0,0,0,0,0,2|2,0,0]=4 2533 B11R1.91 CC(=O)CCc1cccnc1 1458a_100000070787_200011713674 [0,0,0,0,0,2|2,0,0]=4 2534 B11R1.91 CC(=O)CCc1cccnc1 1458a_100000198484_200000210301 [0,0,0,0,0,2|2,0,0]=4 2535 B11R1.91 CC(=O)CCc1ccncc1 1458a_100000070787_100000723409 [0,0,0,0,0,2|2,0,0]=4 2536 B11R1.91 CC(=O)CCc1ccncc1 1458a_100011225043_200000210301 [0,0,0,0,0,2|2,0,0]=4 2537 B11R1.91 CC(=O)COc1ccccc1 1458a_100000186222_200000210301 [0,0,0,0,0,2|1,0,0]=3 2538 B11R1.91 CC(=O)COc1ccccn1 1458a_100102699861_200000210301 [0,0,0,0,0,2|2,0,0]=4 2539 B11R1.91 CC(=O)COc1cccnc1 1458a_100015207166_200000210301 [0,0,0,0,0,2|2,0,0]=4 2540 B11R1.91 CC(=O)CSc1ccccc1 1458a_100000211596_200000210301 [0,0,0,0,0,2|1,0,0]=3 2541 B11R1.91 CC(=O)CSc1ccccn1 1458a_100000156281_200000210301 [0,0,0,0,0,2|2,0,0]=4 2542 B11R1.91 CC(=O)CSc1ccncc1 1458a_100000211328_200000210301 [0,0,0,0,0,2|2,0,0]=4 2543 B11R1.91 CC(=O)NCc1ccccc1 11a_100015324214_100015343762 [0,0,0,0,0,2|1,0,0]=3 2544 B11R1.91 CC(=O)NCc1ccccc1 1626a_100015324214_100015343762 [0,0,0,0,0,2|1,0,0]=3 2545 B11R1.91 CC(=O)NCc1ccccc1 240690a_100015324214_100015343762 [0,0,0,0,0,2|1,0,0]=3 2546 B11R1.91 CC(=O)NCc1ccccc1 527a_100015324214_100103153847 [0,0,0,0,0,2|1,0,0]=3 2547 B11R1.91 CC(=O)NCc1ccccn1 11a_100000210449_100015343762 [0,0,0,0,0,2|2,0,0]=4 2548 B11R1.91 CC(=O)NCc1ccccn1 1626a_100000210449_100015343762 [0,0,0,0,0,2|2,0,0]=4 2549 B11R1.91 CC(=O)NCc1ccccn1 240690a_100000210449_100015343762 [0,0,0,0,0,2|2,0,0]=4 2550 B11R1.91 CC(=O)NCc1ccccn1 527a_100000210449_100103153847 [0,0,0,0,0,2|2,0,0]=4 2551 B11R1.91 CC(=O)NCc1cccnc1 11a_100000210453_100015343762 [0,0,0,0,0,2|2,0,0]=4 2552 B11R1.91 CC(=O)NCc1cccnc1 240690a_100000210453_100015343762 [0,0,0,0,0,2|2,0,0]=4 2553 B11R1.91 CC(=O)NCc1cccnc1 527a_100000210453_100103153847 [0,0,0,0,0,2|2,0,0]=4 2554 B11R1.91 CC(=O)NCc1ccncc1 11a_100000210450_100015343762 [0,0,0,0,0,2|2,0,0]=4 2555 B11R1.91 CC(=O)NCc1ccncc1 1626a_100000210450_100015343762 [0,0,0,0,0,2|2,0,0]=4 2556 B11R1.91 CC(=O)NCc1ccncc1 240690a_100000210450_100015343762 [0,0,0,0,0,2|2,0,0]=4 2557 B11R1.91 CC(=O)NCc1ccncc1 527a_100000210450_100103153847 [0,0,0,0,0,2|2,0,0]=4 2558 B11R1.91 CC(=O)NNc1ccccc1 22a_100015195140_100000070787 [0,0,0,0,0,2|1,0,0]=3 2559 B11R1.91 CC(=O)NNc1ccccn1 22a_100000183288_100000070787 [0,0,0,0,0,2|2,0,0]=4 2560 B11R1.91 CC(=O)NNc1cccnc1 22a_100000728903_100000070787 [0,0,0,0,0,2|2,0,0]=4 2561 B11R1.91 CC(=O)NNc1ccncc1 22a_100000698918_100000070787 [0,0,0,0,0,2|2,0,0]=4 2562 B11R1.91 CC(O)C=Cc1ccccc1 271570a_200011019289_100000210277 [0,0,0,0,0,2|1,0,1]=4 2563 B11R1.91 CC(O)CNc1ccccc1 34a_100000106764_100011218427 [0,0,0,0,0,2|1,0,1]=4 2564 B11R1.91 CC(O)COc1ccccc1 34a_100000210340_100011218427 [0,0,0,0,0,2|1,0,1]=4 2565 B11R1.91 CC(O)COc1ccccc1 7a_100000210340_100011218427 [0,0,0,0,0,2|1,0,1]=4 2566 B11R1.91 CC(O)CSc1ccccc1 62a_100000719477_100011218427 [0,0,0,0,0,2|1,0,1]=4 2567 B11R1.91 CC(O)CSc1ccccc1 62a_100011218427_100000041952 [0,0,0,0,0,2|1,0,1]=4 2568 B11R1.91 C[C@@H](O)CNc1ccccc1 34a_100000106764_100009817552 [0,0,0,0,0,2|1,0,1]=4 2569 B11R1.91 C[C@@H](O)COc1ccccc1 34a_100000210340_100009817552 [0,0,0,0,0,2|1,0,1]=4 2570 B11R1.91 C[C@@H](O)COc1ccccc1 7a_100000210340_100009817552 [0,0,0,0,0,2|1,0,1]=4 2571 B11R1.91 C[C@@H](O)CSc1ccccc1 62a_100000719477_100009817552 [0,0,0,0,0,2|1,0,1]=4 2572 B11R1.91 C[C@@H](O)CSc1ccccc1 62a_100009817552_100000041952 [0,0,0,0,0,2|1,0,1]=4 2573 B11R1.91 NC(=O)CNc1ccccc1 34a_100000106764_100000187820 [0,0,0,0,0,2|1,0,0]=3 2574 B11R1.91 NC(=O)COc1ccccc1 34a_100000210340_100000187820 [0,0,0,0,0,2|1,0,0]=3 2575 B11R1.91 NC(=O)COc1ccccc1 7a_100000210340_100000187820 [0,0,0,0,0,2|1,0,0]=3 2576 B11R1.91 NC(=O)COc1cccnc1 34a_100000210849_100000187820 [0,0,0,0,0,2|2,0,0]=4 2577 B11R1.91 NC(=O)COc1cccnc1 7a_100000210849_100000187820 [0,0,0,0,0,2|2,0,0]=4 2578 B11R1.91 NC(=O)COc1ccncc1 34a_100000212176_100000187820 [0,0,0,0,0,2|2,0,0]=4 2579 B11R1.91 NC(=O)CSc1ccccc1 62a_100000719477_100000747473 [0,0,0,0,0,2|1,0,0]=3 2580 B11R1.91 NC(=O)CSc1ccccc1 62a_100000747473_100000041952 [0,0,0,0,0,2|1,0,0]=3 2581 B11R1.91 NC(=O)CSc1ccccn1 62a_100000747473_100011216584 [0,0,0,0,0,2|2,0,0]=4 2582 B11R1.91 NC(=O)CSc1ccccn1 62a_100011216584_100000747473 [0,0,0,0,0,2|2,0,0]=4 2583 B11R1.91 NC(=O)CSc1cccnc1 62a_100000210063_100000747473 [0,0,0,0,0,2|2,0,0]=4 2584 B11R1.91 NC(=O)CSc1cccnc1 62a_100000747473_100000210063 [0,0,0,0,0,2|2,0,0]=4 2585 B11R1.91 NC(=O)CSc1ccncc1 62a_100000728582_100000747473 [0,0,0,0,0,2|2,0,0]=4 2586 B11R1.91 NC(=O)CSc1ccncc1 62a_100000747473_100000728582 [0,0,0,0,0,2|2,0,0]=4 2587 B11R1.91 O=C([O-])CNc1ccccc1 34a_100000106764_100020667443 [0,0,0,0,0,2|0,0,1]=3 2588 B11R1.91 O=C([O-])COc1ccccc1 34a_100000210340_100020667443 [0,0,0,0,0,2|0,0,1]=3 2589 B11R1.91 O=C([O-])COc1cccnc1 34a_100000210849_100020667443 [0,0,0,0,0,2|1,0,1]=4 2590 B11R1.91 O=C([O-])COc1ccncc1 34a_100000212176_100020667443 [0,0,0,0,0,2|1,0,1]=4 2591 B11R1.91 O=C([O-])CSc1ccccc1 62a_100000719477_100020667443 [0,0,0,0,0,2|0,0,1]=3 2592 B11R1.91 O=C([O-])CSc1ccccc1 62a_100020667443_100000041952 [0,0,0,0,0,2|0,0,1]=3 2593 B11R1.91 O=C([O-])CSc1ccccn1 62a_100011216584_100020667443 [0,0,0,0,0,2|1,0,1]=4 2594 B11R1.91 O=C([O-])CSc1ccccn1 62a_100020667443_100011216584 [0,0,0,0,0,2|1,0,1]=4 2595 B11R1.91 O=C([O-])CSc1cccnc1 62a_100000210063_100020667443 [0,0,0,0,0,2|1,0,1]=4 2596 B11R1.91 O=C([O-])CSc1cccnc1 62a_100020667443_100000210063 [0,0,0,0,0,2|1,0,1]=4 2597 B11R1.91 O=C([O-])CSc1ccncc1 62a_100000728582_100020667443 [0,0,0,0,0,2|1,0,1]=4 2598 B11R1.91 O=C([O-])CSc1ccncc1 62a_100020667443_100000728582 [0,0,0,0,0,2|1,0,1]=4 2599 B11R1.91 O=[N+]([O-])CNc1ccccc1 34a_100000106764_100000761209 [0,0,0,0,0,2|1,0,1]=4 2600 B11R1.91 O=[N+]([O-])COc1ccccc1 34a_100000210340_100000761209 [0,0,0,0,0,2|1,0,1]=4 2601 B11R1.91 O=[N+]([O-])CSc1ccccc1 62a_100000719477_100000761209 [0,0,0,0,0,2|1,0,1]=4 2602 B11R1.91 [13CH3]C(=O)C#Cc1ccccc1 1458a_100000736102_200025704644 [0,0,0,0,0,2|1,0,0]=3 2603 B11R1.91 [13CH3]C(=O)C#Cc1ccccn1 1458a_102125277312_200025704644 [0,0,0,0,0,2|2,0,0]=4 2604 B11R1.91 [13CH3]C(=O)C=Cc1ccccc1 1458a_100000210462_200025704644 [0,0,0,0,0,2|1,0,0]=3 2605 B11R1.91 [13CH3]C(=O)C=Cc1ccccn1 1458a_100000740811_200025704644 [0,0,0,0,0,2|2,0,0]=4 2606 B11R1.91 [13CH3]C(=O)C=Cc1cccnc1 1458a_100000735890_200025704644 [0,0,0,0,0,2|2,0,0]=4 2607 B11R1.91 [13CH3]C(=O)C=Cc1ccncc1 1458a_100000682801_200025704644 [0,0,0,0,0,2|2,0,0]=4 2608 B11R1.91 [13CH3]C(=O)CCc1ccccc1 1458a_100000185753_200025704644 [0,0,0,0,0,2|1,0,0]=3 2609 B11R1.91 [13CH3]C(=O)CCc1ccccn1 1458a_100015195070_200025704644 [0,0,0,0,0,2|2,0,0]=4 2610 B11R1.91 [13CH3]C(=O)CCc1cccnc1 1458a_100000198484_200025704644 [0,0,0,0,0,2|2,0,0]=4 2611 B11R1.91 [13CH3]C(=O)CCc1ccncc1 1458a_100011225043_200025704644 [0,0,0,0,0,2|2,0,0]=4 2612 B11R1.91 [13CH3]C(=O)COc1ccccc1 1458a_100000186222_200025704644 [0,0,0,0,0,2|1,0,0]=3 2613 B11R1.91 [13CH3]C(=O)COc1ccccn1 1458a_100102699861_200025704644 [0,0,0,0,0,2|2,0,0]=4 2614 B11R1.91 [13CH3]C(=O)COc1cccnc1 1458a_100015207166_200025704644 [0,0,0,0,0,2|2,0,0]=4 2615 B11R1.91 [13CH3]C(=O)CSc1ccccc1 1458a_100000211596_200025704644 [0,0,0,0,0,2|1,0,0]=3 2616 B11R1.91 [13CH3]C(=O)CSc1ccccn1 1458a_100000156281_200025704644 [0,0,0,0,0,2|2,0,0]=4 2617 B11R1.91 [13CH3]C(=O)CSc1ccncc1 1458a_100000211328_200025704644 [0,0,0,0,0,2|2,0,0]=4