0 B10R1.61 C=C(C)c1ccc[nH]c1=O 271570a_100000694244_100000050042 [0,0,0,0,0,0|3,0,1]=4 1 B10R1.61 C=C(C)c1cccc[n+]1C 271570a_100000694244_100000212160 [0,0,0,0,0,0|4,0,0]=4 2 B10R1.61 C=C(C)c1ccccc1Br 271570a_100000694244_100000695589 [0,0,0,0,0,0|4,0,0]=4 3 B10R1.61 C=C(C)c1ccccc1C 271570a_100000694244_100000210755 [0,0,0,0,0,0|3,0,0]=3 4 B10R1.61 C=C(C)c1ccccc1Cl 271570a_100000694244_100000764095 [0,0,0,0,0,0|4,0,0]=4 5 B10R1.61 C=C(C)c1ccccc1F 271570a_100000694244_100011215700 [0,0,0,0,0,0|4,0,0]=4 6 B10R1.61 C=C(C)c1ccccc1N 271570a_100000694244_100000210017 [0,0,0,0,0,0|4,0,0]=4 7 B10R1.61 C=C(C)c1ccccc1O 271570a_100000694244_100000739446 [0,0,0,0,0,0|4,0,0]=4 8 B10R1.61 C=C(C)c1cccnc1Br 271570a_100000694244_100010202626 [0,0,0,0,0,0|3,0,0]=3 9 B10R1.61 C=C(C)c1cccnc1C 271570a_100000694244_100000751574 [0,0,0,0,0,0|2,0,0]=2 10 B10R1.61 C=C(C)c1cccnc1Cl 271570a_100000694244_100000036424 [0,0,0,0,0,0|3,0,0]=3 11 B10R1.61 C=C(C)c1cccnc1F 271570a_100000694244_100009816115 [0,0,0,0,0,0|3,0,0]=3 12 B10R1.61 C=C(C)c1cccnc1N 271570a_100000694244_100000045569 [0,0,0,0,0,0|3,0,0]=3 13 B10R1.61 C=C(C)c1ccncc1C 271570a_100000694244_100015191297 [0,0,0,0,0,0|4,0,0]=4 14 B10R1.61 C=C(C)c1cnccc1C 271570a_100000694244_100000761580 [0,0,0,0,0,0|4,0,0]=4 15 B10R1.61 C=C(C)c1cncnc1Br 271570a_100000694244_200012461658 [0,0,0,0,0,0|4,0,0]=4 16 B10R1.61 C=C(C)c1cncnc1C 271570a_100000694244_100009819671 [0,0,0,0,0,0|3,0,0]=3 17 B10R1.61 C=C(C)c1cncnc1Cl 271570a_100000694244_100000758962 [0,0,0,0,0,0|4,0,0]=4 18 B10R1.61 C=C(C)c1cncnc1N 271570a_100000694244_100011996079 [0,0,0,0,0,0|4,0,0]=4 19 B10R1.61 C=C(C)c1cncnc1O 271570a_100000694244_100000751107 [0,0,0,0,0,0|4,0,0]=4 20 B10R1.61 C=C(C)c1ncc[nH]c1=O 271570a_100000694244_100000763361 [0,0,0,0,0,0|2,0,1]=3 21 B10R1.61 C=C(C)c1ncccc1Br 271570a_100000694244_100000696092 [0,0,0,0,0,0|3,0,0]=3 22 B10R1.61 C=C(C)c1ncccc1C 271570a_100000694244_100000751373 [0,0,0,0,0,0|2,0,0]=2 23 B10R1.61 C=C(C)c1ncccc1Cl 271570a_100000694244_100011356963 [0,0,0,0,0,0|3,0,0]=3 24 B10R1.61 C=C(C)c1ncccc1F 271570a_100000694244_100000685392 [0,0,0,0,0,0|3,0,0]=3 25 B10R1.61 C=C(C)c1ncccc1N 271570a_100000694244_100000688686 [0,0,0,0,0,0|3,0,0]=3 26 B10R1.61 C=C(C)c1ncccc1O 271570a_100000694244_100000034122 [0,0,0,0,0,0|3,0,0]=3 27 B10R1.61 C=C(C)c1nccnc1C 271570a_100000694244_100011999405 [0,0,0,0,0,0|1,0,0]=1 28 B10R1.61 C=C(C)c1nccnc1F 271570a_100000694244_200010125657 [0,0,0,0,0,0|2,0,0]=2 29 B10R1.61 C=C(C)c1nccnc1N 271570a_100000694244_100000747729 [0,0,0,0,0,0|2,0,0]=2 30 B10R1.61 C=C(C)c1ncncc1C 271570a_100000694244_100011998708 [0,0,0,0,0,0|3,0,0]=3 31 B10R1.61 C=C(C)c1ncncc1F 271570a_100000694244_100000069762 [0,0,0,0,0,0|4,0,0]=4 32 B10R1.61 C=C(C)c1ncncc1N 271570a_100000694244_100000709731 [0,0,0,0,0,0|4,0,0]=4 33 B10R1.61 C=C(C)c1nnccc1C 271570a_100000694244_100000089043 [0,0,0,0,0,0|3,0,0]=3 34 B10R1.61 CC(=O)C1=C(OCCO1)C 1458a_100000068647_200000210301 [0,0,0,0,0,0|2,0,2]=4 35 B10R1.61 CC(=O)c1ccccc1Br 1458a_100000188424_200000210301 [0,0,0,0,0,0|3,0,0]=3 36 B10R1.61 CC(=O)c1ccccc1C 1458a_100000212026_200000210301 [0,0,0,0,0,0|2,0,0]=2 37 B10R1.61 CC(=O)c1ccccc1Cl 1458a_100000185844_200000210301 [0,0,0,0,0,0|3,0,0]=3 38 B10R1.61 CC(=O)c1ccccc1F 1458a_100000188656_200000210301 [0,0,0,0,0,0|3,0,0]=3 39 B10R1.61 CC(=O)c1ccccc1I 1458a_100000187884_200000210301 [0,0,0,0,0,0|3,0,0]=3 40 B10R1.61 CC(=O)c1ccccc1O 1458a_100015234032_200000210301 [0,0,0,0,0,0|3,0,0]=3 41 B10R1.61 CC(=O)c1ccccc1O 271570a_203496583355_100000751169 [0,0,0,0,0,0|3,0,0]=3 42 B10R1.61 CC(=O)c1ccccc1[O-] 1458a_100009911694_200000210301 [0,0,0,0,0,0|3,0,0]=3 43 B10R1.61 CC(=O)c1cccnc1O 271570a_203496583355_100000753718 [0,0,0,0,0,0|2,0,0]=2 44 B10R1.61 CC(=O)c1ccncc1O 271570a_203496583355_100009993184 [0,0,0,0,0,0|4,0,0]=4 45 B10R1.61 CC(=O)c1cnccc1O 271570a_203496583355_100160469449 [0,0,0,0,0,0|4,0,0]=4 46 B10R1.61 CC(=O)c1ncccc1O 271570a_203496583355_100012348690 [0,0,0,0,0,0|2,0,0]=2 47 B10R1.61 CC(=O)c1nccnc1O 271570a_203496583355_100000099859 [0,0,0,0,0,0|1,0,0]=1 48 B10R1.61 CC(C)c1cccnc1O 271570a_203496583355_200010382935 [0,0,0,0,0,0|3,0,1]=4 49 B10R1.61 CC(N)c1ncccc1O 271570a_203496583355_100159271932 [0,0,0,0,0,0|3,0,1]=4 50 B10R1.61 CC(O)c1cccnc1O 271570a_203496583355_100009865335 [0,0,0,0,0,0|2,0,2]=4 51 B10R1.61 CC1=C(OCCO1)C(=O)[13CH3] 1458a_100000068647_200025704644 [0,0,0,0,0,0|2,0,2]=4 52 B10R1.61 CN(C)c1ncccc1Br 27a_100102631434_100000696092 [0,0,0,0,0,0|4,0,0]=4 53 B10R1.61 CN(C)c1ncccc1O 271570a_203496583355_100011465059 [0,0,0,0,0,0|4,0,0]=4 54 B10R1.61 CN(C)c1nccnc1F 27a_100102631434_200010125657 [0,0,0,0,0,0|3,0,0]=3 55 B10R1.61 CN(C)c1nccnc1O 271570a_203496583355_100000703087 [0,0,0,0,0,0|3,0,0]=3 56 B10R1.61 CS(=O)c1ccccc1O 271570a_203496583355_100000734199 [0,0,0,0,0,0|4,0,0]=4 57 B10R1.61 C[C@H](O)c1ncccc1O 271570a_203496583355_100013325542 [0,0,0,0,0,0|2,0,2]=4 58 B10R1.61 Cc1ccccc1C(=O)[13CH3] 1458a_100000212026_200025704644 [0,0,0,0,0,0|2,0,0]=2 59 B10R1.61 Cc1ccccc1N(C)C 2230a_100000219699_200000210301 [0,0,0,0,0,0|4,0,0]=4 60 B10R1.61 Cc1ccccc1N(C)C 269982a_100000219699_200000210301 [0,0,0,0,0,0|4,0,0]=4 61 B10R1.61 Cc1ccccc1N(C)C 34a_100000219699_200000210301 [0,0,0,0,0,0|4,0,0]=4 62 B10R1.61 Cc1ccccc1N(C)[13CH3] 2230a_100000219699_200025704644 [0,0,0,0,0,0|4,0,0]=4 63 B10R1.61 Cc1ccccc1N(C)[13CH3] 269982a_100000219699_200025704644 [0,0,0,0,0,0|4,0,0]=4 64 B10R1.61 Cc1ccccc1N(C)[13CH3] 34a_100000219699_200025704644 [0,0,0,0,0,0|4,0,0]=4 65 B10R1.61 Cc1ccnnc1N(C)C 27a_100102631434_100000089043 [0,0,0,0,0,0|4,0,0]=4 66 B10R1.61 Cc1cncnc1N(C)C 27a_100102631434_100011998708 [0,0,0,0,0,0|4,0,0]=4 67 B10R1.61 Cc1nccnc1N(C)C 27a_100102631434_100011999405 [0,0,0,0,0,0|2,0,0]=2 68 B10R1.61 NC(=O)c1ccccc1O 271570a_203496583355_100000162227 [0,0,0,0,0,0|4,0,0]=4 69 B10R1.61 NC(=O)c1cccnc1O 271570a_203496583355_100000162199 [0,0,0,0,0,0|3,0,0]=3 70 B10R1.61 NC(=O)c1ncccc1O 271570a_203496583355_200012359670 [0,0,0,0,0,0|3,0,0]=3 71 B10R1.61 NC(=O)c1nccnc1O 271570a_203496583355_100000094861 [0,0,0,0,0,0|2,0,0]=2 72 B10R1.61 [13CH3]C(=O)c1ccccc1Br 1458a_100000188424_200025704644 [0,0,0,0,0,0|3,0,0]=3 73 B10R1.61 [13CH3]C(=O)c1ccccc1Cl 1458a_100000185844_200025704644 [0,0,0,0,0,0|3,0,0]=3 74 B10R1.61 [13CH3]C(=O)c1ccccc1F 1458a_100000188656_200025704644 [0,0,0,0,0,0|3,0,0]=3 75 B10R1.61 [13CH3]C(=O)c1ccccc1I 1458a_100000187884_200025704644 [0,0,0,0,0,0|3,0,0]=3 76 B10R1.61 [13CH3]C(=O)c1ccccc1O 1458a_100015234032_200025704644 [0,0,0,0,0,0|3,0,0]=3 77 B10R1.61 [13CH3]C(=O)c1ccccc1[O-] 1458a_100009911694_200025704644 [0,0,0,0,0,0|3,0,0]=3 78 B9R1.6 C=C(C)c1ccccc1 271570a_100000694244_100000210277 [1,0,0,0,0,0|3,0,0]=4 79 B9R1.6 C=C(C)c1ccccn1 271570a_100000694244_100011216584 [1,0,0,0,0,0|2,0,0]=3 80 B9R1.6 C=C(C)c1cccnc1 271570a_100000694244_100000752921 [1,0,0,0,0,0|2,0,0]=3 81 B9R1.6 C=C(C)c1cccnn1 271570a_100000694244_100016991348 [1,0,0,0,0,0|3,0,0]=4 82 B9R1.6 C=C(C)c1ccncn1 271570a_100000694244_100000703185 [1,0,0,0,0,0|3,0,0]=4 83 B9R1.6 C=C(C)c1ccnnc1 271570a_100000694244_100000732662 [1,0,0,0,0,0|3,0,0]=4 84 B9R1.6 C=C(C)c1cnccn1 271570a_100000694244_100000758340 [1,0,0,0,0,0|1,0,0]=2 85 B9R1.6 C=C(C)c1cncnc1 271570a_100000694244_100011206942 [1,0,0,0,0,0|3,0,0]=4 86 B9R1.6 C=C(C)c1ncccn1 271570a_100000694244_100000211032 [1,0,0,0,0,0|3,0,0]=4 87 B9R1.6 CC(=O)c1ccccc1 1458a_100000185807_200000210301 [1,0,0,0,0,0|2,0,0]=3 88 B9R1.6 CN(C)c1cnccn1 27a_100102631434_100000211759 [1,0,0,0,0,0|2,0,0]=3 89 B9R1.6 [13CH3]C(=O)c1ccccc1 1458a_100000185807_200025704644 [1,0,0,0,0,0|2,0,0]=3 90 B9R1.15 C=Cc1ccccc1C 271570a_100011290941_100000210755 [1,0,0,0,0,0|2,0,1]=4 91 B9R1.15 C=Cc1cccnc1Br 271570a_100011290941_100010202626 [1,0,0,0,0,0|2,0,1]=4 92 B9R1.15 C=Cc1cccnc1C 271570a_100011290941_100000751574 [1,0,0,0,0,0|1,0,1]=3 93 B9R1.15 C=Cc1cccnc1Cl 271570a_100011290941_100000036424 [1,0,0,0,0,0|2,0,1]=4 94 B9R1.15 C=Cc1cccnc1F 271570a_100011290941_100009816115 [1,0,0,0,0,0|2,0,1]=4 95 B9R1.15 C=Cc1cccnc1N 271570a_100011290941_100000045569 [1,0,0,0,0,0|2,0,1]=4 96 B9R1.15 C=Cc1cncnc1C 271570a_100011290941_100009819671 [1,0,0,0,0,0|2,0,1]=4 97 B9R1.15 C=Cc1ncc[nH]c1=O 271570a_100011290941_100000763361 [1,0,0,0,0,0|1,0,2]=4 98 B9R1.15 C=Cc1ncccc1Br 271570a_100011290941_100000696092 [1,0,0,0,0,0|2,0,1]=4 99 B9R1.15 C=Cc1ncccc1C 271570a_100011290941_100000751373 [1,0,0,0,0,0|1,0,1]=3 100 B9R1.15 C=Cc1ncccc1Cl 271570a_100011290941_100011356963 [1,0,0,0,0,0|2,0,1]=4 101 B9R1.15 C=Cc1ncccc1F 271570a_100011290941_100000685392 [1,0,0,0,0,0|2,0,1]=4 102 B9R1.15 C=Cc1ncccc1N 271570a_100011290941_100000688686 [1,0,0,0,0,0|2,0,1]=4 103 B9R1.15 C=Cc1ncccc1O 271570a_100011290941_100000034122 [1,0,0,0,0,0|2,0,1]=4 104 B9R1.15 C=Cc1nccnc1C 271570a_100011290941_100011999405 [1,0,0,0,0,0|0,0,1]=2 105 B9R1.15 C=Cc1nccnc1F 271570a_100011290941_200010125657 [1,0,0,0,0,0|1,0,1]=3 106 B9R1.15 C=Cc1nccnc1N 271570a_100011290941_100000747729 [1,0,0,0,0,0|1,0,1]=3 107 B9R1.15 C=Cc1ncncc1C 271570a_100011290941_100011998708 [1,0,0,0,0,0|2,0,1]=4 108 B9R1.15 C=Cc1nnccc1C 271570a_100011290941_100000089043 [1,0,0,0,0,0|2,0,1]=4 109 B9R1.15 CCc1ncccc1O 271570a_203496583355_100009877225 [1,0,0,0,0,0|2,0,1]=4 110 B9R1.15 CCc1nccnc1O 271570a_203496583355_100011995844 [1,0,0,0,0,0|1,0,1]=3 111 B9R1.15 CNc1ccccc1C 34a_100015192222_200000210301 [1,0,0,0,0,0|3,0,0]=4 112 B9R1.15 CNc1cccnc1O 271570a_203496583355_200011806188 [1,0,0,0,0,0|3,0,0]=4 113 B9R1.15 CNc1ncccc1Br 27a_100102657272_100000696092 [1,0,0,0,0,0|3,0,0]=4 114 B9R1.15 CNc1ncccc1O 271570a_203496583355_100000700899 [1,0,0,0,0,0|3,0,0]=4 115 B9R1.15 CNc1nccnc1C 27a_100102657272_100011999405 [1,0,0,0,0,0|1,0,0]=2 116 B9R1.15 CNc1nccnc1F 27a_100102657272_200010125657 [1,0,0,0,0,0|2,0,0]=3 117 B9R1.15 CNc1nccnc1O 271570a_203496583355_100011529439 [1,0,0,0,0,0|2,0,0]=3 118 B9R1.15 CNc1ncncc1C 27a_100102657272_100011998708 [1,0,0,0,0,0|3,0,0]=4 119 B9R1.15 CNc1nnccc1C 27a_100102657272_100000089043 [1,0,0,0,0,0|3,0,0]=4 120 B9R1.15 COc1ccccc1C 34a_100000210338_200000210301 [1,0,0,0,0,0|3,0,0]=4 121 B9R1.15 COc1ccccc1C 7a_100000210338_200000210301 [1,0,0,0,0,0|3,0,0]=4 122 B9R1.15 COc1cccnc1Br 34a_100000744436_200000210301 [1,0,0,0,0,0|3,0,0]=4 123 B9R1.15 COc1cccnc1Br 7a_100000744436_200000210301 [1,0,0,0,0,0|3,0,0]=4 124 B9R1.15 COc1cccnc1C 34a_100000745507_200000210301 [1,0,0,0,0,0|2,0,0]=3 125 B9R1.15 COc1cccnc1C 7a_100000745507_200000210301 [1,0,0,0,0,0|2,0,0]=3 126 B9R1.15 COc1cccnc1Cl 34a_100000757616_200000210301 [1,0,0,0,0,0|3,0,0]=4 127 B9R1.15 COc1cccnc1Cl 7a_100000757616_200000210301 [1,0,0,0,0,0|3,0,0]=4 128 B9R1.15 COc1cccnc1F 34a_100000061740_200000210301 [1,0,0,0,0,0|3,0,0]=4 129 B9R1.15 COc1cccnc1F 7a_100000061740_200000210301 [1,0,0,0,0,0|3,0,0]=4 130 B9R1.15 COc1cccnc1I 34a_100000034122_200000210301 [1,0,0,0,0,0|3,0,0]=4 131 B9R1.15 COc1cccnc1I 7a_100000034122_200000210301 [1,0,0,0,0,0|3,0,0]=4 132 B9R1.15 COc1cccnc1N 34a_100000211975_200000210301 [1,0,0,0,0,0|3,0,0]=4 133 B9R1.15 COc1cccnc1N 7a_100000211975_200000210301 [1,0,0,0,0,0|3,0,0]=4 134 B9R1.15 COc1cccnc1O 271570a_203496583355_100000690851 [1,0,0,0,0,0|3,0,0]=4 135 B9R1.15 COc1ncccc1Cl 34a_100011290957_200000210301 [1,0,0,0,0,0|3,0,0]=4 136 B9R1.15 COc1ncccc1F 34a_100011219419_200000210301 [1,0,0,0,0,0|3,0,0]=4 137 B9R1.15 COc1ncccc1N 34a_100000746358_200000210301 [1,0,0,0,0,0|3,0,0]=4 138 B9R1.15 COc1ncccc1O 271570a_203496583355_100000047025 [1,0,0,0,0,0|3,0,0]=4 139 B9R1.15 COc1nccnc1C 34a_100000766352_200000210301 [1,0,0,0,0,0|1,0,0]=2 140 B9R1.15 COc1nccnc1O 271570a_203496583355_100000749998 [1,0,0,0,0,0|2,0,0]=3 141 B9R1.15 CSc1ccccc1C 62a_100000210755_200000210301 [1,0,0,0,0,0|3,0,0]=4 142 B9R1.15 CSc1ccccc1C 62a_200000210301_100000210755 [1,0,0,0,0,0|3,0,0]=4 143 B9R1.15 CSc1cccnc1Br 62a_100010202626_200000210301 [1,0,0,0,0,0|3,0,0]=4 144 B9R1.15 CSc1cccnc1Br 62a_200000210301_100010202626 [1,0,0,0,0,0|3,0,0]=4 145 B9R1.15 CSc1cccnc1C 62a_100000751574_200000210301 [1,0,0,0,0,0|2,0,0]=3 146 B9R1.15 CSc1cccnc1C 62a_200000210301_100000751574 [1,0,0,0,0,0|2,0,0]=3 147 B9R1.15 CSc1cccnc1Cl 62a_100000036424_200000210301 [1,0,0,0,0,0|3,0,0]=4 148 B9R1.15 CSc1cccnc1Cl 62a_200000210301_100000036424 [1,0,0,0,0,0|3,0,0]=4 149 B9R1.15 CSc1cccnc1F 62a_100009816115_200000210301 [1,0,0,0,0,0|3,0,0]=4 150 B9R1.15 CSc1cccnc1F 62a_200000210301_100009816115 [1,0,0,0,0,0|3,0,0]=4 151 B9R1.15 CSc1cccnc1N 62a_100000045569_200000210301 [1,0,0,0,0,0|3,0,0]=4 152 B9R1.15 CSc1cccnc1N 62a_200000210301_100000045569 [1,0,0,0,0,0|3,0,0]=4 153 B9R1.15 CSc1cccnc1O 62a_100000760158_200000210301 [1,0,0,0,0,0|3,0,0]=4 154 B9R1.15 CSc1cccnc1O 62a_200000210301_100000760158 [1,0,0,0,0,0|3,0,0]=4 155 B9R1.15 CSc1cncnc1C 62a_100009819671_200000210301 [1,0,0,0,0,0|3,0,0]=4 156 B9R1.15 CSc1cncnc1C 62a_200000210301_100009819671 [1,0,0,0,0,0|3,0,0]=4 157 B9R1.15 CSc1ncc[nH]c1=O 62a_200000210301_100000763361 [1,0,0,0,0,0|2,0,1]=4 158 B9R1.15 CSc1ncccc1Br 62a_100000696092_200000210301 [1,0,0,0,0,0|3,0,0]=4 159 B9R1.15 CSc1ncccc1Br 62a_200000210301_100000696092 [1,0,0,0,0,0|3,0,0]=4 160 B9R1.15 CSc1ncccc1C 62a_100000751373_200000210301 [1,0,0,0,0,0|2,0,0]=3 161 B9R1.15 CSc1ncccc1C 62a_200000210301_100000751373 [1,0,0,0,0,0|2,0,0]=3 162 B9R1.15 CSc1ncccc1Cl 62a_100011356963_200000210301 [1,0,0,0,0,0|3,0,0]=4 163 B9R1.15 CSc1ncccc1Cl 62a_200000210301_100011356963 [1,0,0,0,0,0|3,0,0]=4 164 B9R1.15 CSc1ncccc1F 62a_100000685392_200000210301 [1,0,0,0,0,0|3,0,0]=4 165 B9R1.15 CSc1ncccc1F 62a_200000210301_100000685392 [1,0,0,0,0,0|3,0,0]=4 166 B9R1.15 CSc1ncccc1N 62a_100000688686_200000210301 [1,0,0,0,0,0|3,0,0]=4 167 B9R1.15 CSc1ncccc1N 62a_200000210301_100000688686 [1,0,0,0,0,0|3,0,0]=4 168 B9R1.15 CSc1ncccc1O 271570a_203496583355_100011465278 [1,0,0,0,0,0|3,0,0]=4 169 B9R1.15 CSc1ncccc1O 62a_100000034122_200000210301 [1,0,0,0,0,0|3,0,0]=4 170 B9R1.15 CSc1ncccc1O 62a_200000210301_100000034122 [1,0,0,0,0,0|3,0,0]=4 171 B9R1.15 CSc1nccnc1C 62a_100011999405_200000210301 [1,0,0,0,0,0|1,0,0]=2 172 B9R1.15 CSc1nccnc1C 62a_200000210301_100011999405 [1,0,0,0,0,0|1,0,0]=2 173 B9R1.15 CSc1nccnc1Cl 62a_100010886584_200000210301 [1,0,0,0,0,0|2,0,0]=3 174 B9R1.15 CSc1nccnc1Cl 62a_200000210301_100010886584 [1,0,0,0,0,0|2,0,0]=3 175 B9R1.15 CSc1nccnc1F 62a_200000210301_200010125657 [1,0,0,0,0,0|2,0,0]=3 176 B9R1.15 CSc1nccnc1F 62a_200010125657_200000210301 [1,0,0,0,0,0|2,0,0]=3 177 B9R1.15 CSc1nccnc1N 62a_100000747729_200000210301 [1,0,0,0,0,0|2,0,0]=3 178 B9R1.15 CSc1nccnc1N 62a_200000210301_100000747729 [1,0,0,0,0,0|2,0,0]=3 179 B9R1.15 CSc1ncncc1C 62a_100011998708_200000210301 [1,0,0,0,0,0|3,0,0]=4 180 B9R1.15 CSc1ncncc1C 62a_200000210301_100011998708 [1,0,0,0,0,0|3,0,0]=4 181 B9R1.15 CSc1nnccc1C 62a_200000210301_100000089043 [1,0,0,0,0,0|3,0,0]=4 182 B9R1.15 Cc1ccccc1N[13CH3] 34a_100015192222_200025704644 [1,0,0,0,0,0|3,0,0]=4 183 B9R1.15 Cc1ccccc1O[13CH3] 34a_100000210338_200025704644 [1,0,0,0,0,0|3,0,0]=4 184 B9R1.15 Cc1ccccc1O[13CH3] 7a_100000210338_200025704644 [1,0,0,0,0,0|3,0,0]=4 185 B9R1.15 Cc1ccccc1S[13CH3] 62a_100000210755_200025704644 [1,0,0,0,0,0|3,0,0]=4 186 B9R1.15 Cc1ccccc1S[13CH3] 62a_200025704644_100000210755 [1,0,0,0,0,0|3,0,0]=4 187 B9R1.15 Cc1cccnc1S[13CH3] 62a_100000751373_200025704644 [1,0,0,0,0,0|2,0,0]=3 188 B9R1.15 Cc1cccnc1S[13CH3] 62a_200025704644_100000751373 [1,0,0,0,0,0|2,0,0]=3 189 B9R1.15 Cc1ccnnc1S[13CH3] 62a_200025704644_100000089043 [1,0,0,0,0,0|3,0,0]=4 190 B9R1.15 Cc1cncnc1S[13CH3] 62a_100011998708_200025704644 [1,0,0,0,0,0|3,0,0]=4 191 B9R1.15 Cc1cncnc1S[13CH3] 62a_200025704644_100011998708 [1,0,0,0,0,0|3,0,0]=4 192 B9R1.15 Cc1ncccc1O[13CH3] 34a_100000745507_200025704644 [1,0,0,0,0,0|2,0,0]=3 193 B9R1.15 Cc1ncccc1O[13CH3] 7a_100000745507_200025704644 [1,0,0,0,0,0|2,0,0]=3 194 B9R1.15 Cc1ncccc1S[13CH3] 62a_100000751574_200025704644 [1,0,0,0,0,0|2,0,0]=3 195 B9R1.15 Cc1ncccc1S[13CH3] 62a_200025704644_100000751574 [1,0,0,0,0,0|2,0,0]=3 196 B9R1.15 Cc1nccnc1O[13CH3] 34a_100000766352_200025704644 [1,0,0,0,0,0|1,0,0]=2 197 B9R1.15 Cc1nccnc1S[13CH3] 62a_100011999405_200025704644 [1,0,0,0,0,0|1,0,0]=2 198 B9R1.15 Cc1nccnc1S[13CH3] 62a_200025704644_100011999405 [1,0,0,0,0,0|1,0,0]=2 199 B9R1.15 Cc1ncncc1S[13CH3] 62a_100009819671_200025704644 [1,0,0,0,0,0|3,0,0]=4 200 B9R1.15 Cc1ncncc1S[13CH3] 62a_200025704644_100009819671 [1,0,0,0,0,0|3,0,0]=4 201 B9R1.15 N#Cc1nccnc1O 271570a_203496583355_100000040484 [1,0,0,0,0,0|2,0,1]=4 202 B9R1.15 NCc1nccnc1O 271570a_203496583355_100000729963 [1,0,0,0,0,0|2,0,1]=4 203 B9R1.15 NNc1nccnc1O 271570a_203496583355_100000755098 [1,0,0,0,0,0|3,0,0]=4 204 B9R1.15 O=Cc1ccccc1O 271570a_203496583355_100000211189 [1,0,0,0,0,0|3,0,0]=4 205 B9R1.15 O=Cc1cccnc1O 271570a_203496583355_100009816751 [1,0,0,0,0,0|2,0,0]=3 206 B9R1.15 O=Cc1ncccc1O 271570a_203496583355_100011934733 [1,0,0,0,0,0|2,0,0]=3 207 B9R1.15 OCc1nccnc1O 271570a_203496583355_100000057004 [1,0,0,0,0,0|1,0,2]=4 208 B9R1.15 [13CH3]Oc1cccnc1Br 34a_100000744436_200025704644 [1,0,0,0,0,0|3,0,0]=4 209 B9R1.15 [13CH3]Oc1cccnc1Br 7a_100000744436_200025704644 [1,0,0,0,0,0|3,0,0]=4 210 B9R1.15 [13CH3]Oc1cccnc1Cl 34a_100000757616_200025704644 [1,0,0,0,0,0|3,0,0]=4 211 B9R1.15 [13CH3]Oc1cccnc1Cl 7a_100000757616_200025704644 [1,0,0,0,0,0|3,0,0]=4 212 B9R1.15 [13CH3]Oc1cccnc1F 34a_100000061740_200025704644 [1,0,0,0,0,0|3,0,0]=4 213 B9R1.15 [13CH3]Oc1cccnc1F 7a_100000061740_200025704644 [1,0,0,0,0,0|3,0,0]=4 214 B9R1.15 [13CH3]Oc1cccnc1I 34a_100000034122_200025704644 [1,0,0,0,0,0|3,0,0]=4 215 B9R1.15 [13CH3]Oc1cccnc1I 7a_100000034122_200025704644 [1,0,0,0,0,0|3,0,0]=4 216 B9R1.15 [13CH3]Oc1cccnc1N 34a_100000211975_200025704644 [1,0,0,0,0,0|3,0,0]=4 217 B9R1.15 [13CH3]Oc1cccnc1N 7a_100000211975_200025704644 [1,0,0,0,0,0|3,0,0]=4 218 B9R1.15 [13CH3]Oc1ncccc1Cl 34a_100011290957_200025704644 [1,0,0,0,0,0|3,0,0]=4 219 B9R1.15 [13CH3]Oc1ncccc1F 34a_100011219419_200025704644 [1,0,0,0,0,0|3,0,0]=4 220 B9R1.15 [13CH3]Oc1ncccc1N 34a_100000746358_200025704644 [1,0,0,0,0,0|3,0,0]=4 221 B9R1.15 [13CH3]Sc1cccnc1Br 62a_100010202626_200025704644 [1,0,0,0,0,0|3,0,0]=4 222 B9R1.15 [13CH3]Sc1cccnc1Br 62a_200025704644_100010202626 [1,0,0,0,0,0|3,0,0]=4 223 B9R1.15 [13CH3]Sc1cccnc1Cl 62a_100000036424_200025704644 [1,0,0,0,0,0|3,0,0]=4 224 B9R1.15 [13CH3]Sc1cccnc1Cl 62a_200025704644_100000036424 [1,0,0,0,0,0|3,0,0]=4 225 B9R1.15 [13CH3]Sc1cccnc1F 62a_100009816115_200025704644 [1,0,0,0,0,0|3,0,0]=4 226 B9R1.15 [13CH3]Sc1cccnc1F 62a_200025704644_100009816115 [1,0,0,0,0,0|3,0,0]=4 227 B9R1.15 [13CH3]Sc1cccnc1N 62a_100000045569_200025704644 [1,0,0,0,0,0|3,0,0]=4 228 B9R1.15 [13CH3]Sc1cccnc1N 62a_200025704644_100000045569 [1,0,0,0,0,0|3,0,0]=4 229 B9R1.15 [13CH3]Sc1cccnc1O 62a_100000760158_200025704644 [1,0,0,0,0,0|3,0,0]=4 230 B9R1.15 [13CH3]Sc1cccnc1O 62a_200025704644_100000760158 [1,0,0,0,0,0|3,0,0]=4 231 B9R1.15 [13CH3]Sc1ncc[nH]c1=O 62a_200025704644_100000763361 [1,0,0,0,0,0|2,0,1]=4 232 B9R1.15 [13CH3]Sc1ncccc1Br 62a_100000696092_200025704644 [1,0,0,0,0,0|3,0,0]=4 233 B9R1.15 [13CH3]Sc1ncccc1Br 62a_200025704644_100000696092 [1,0,0,0,0,0|3,0,0]=4 234 B9R1.15 [13CH3]Sc1ncccc1Cl 62a_100011356963_200025704644 [1,0,0,0,0,0|3,0,0]=4 235 B9R1.15 [13CH3]Sc1ncccc1Cl 62a_200025704644_100011356963 [1,0,0,0,0,0|3,0,0]=4 236 B9R1.15 [13CH3]Sc1ncccc1F 62a_100000685392_200025704644 [1,0,0,0,0,0|3,0,0]=4 237 B9R1.15 [13CH3]Sc1ncccc1F 62a_200025704644_100000685392 [1,0,0,0,0,0|3,0,0]=4 238 B9R1.15 [13CH3]Sc1ncccc1N 62a_100000688686_200025704644 [1,0,0,0,0,0|3,0,0]=4 239 B9R1.15 [13CH3]Sc1ncccc1N 62a_200025704644_100000688686 [1,0,0,0,0,0|3,0,0]=4 240 B9R1.15 [13CH3]Sc1ncccc1O 62a_100000034122_200025704644 [1,0,0,0,0,0|3,0,0]=4 241 B9R1.15 [13CH3]Sc1ncccc1O 62a_200025704644_100000034122 [1,0,0,0,0,0|3,0,0]=4 242 B9R1.15 [13CH3]Sc1nccnc1Cl 62a_100010886584_200025704644 [1,0,0,0,0,0|2,0,0]=3 243 B9R1.15 [13CH3]Sc1nccnc1Cl 62a_200025704644_100010886584 [1,0,0,0,0,0|2,0,0]=3 244 B9R1.15 [13CH3]Sc1nccnc1F 62a_200010125657_200025704644 [1,0,0,0,0,0|2,0,0]=3 245 B9R1.15 [13CH3]Sc1nccnc1F 62a_200025704644_200010125657 [1,0,0,0,0,0|2,0,0]=3 246 B9R1.15 [13CH3]Sc1nccnc1N 62a_100000747729_200025704644 [1,0,0,0,0,0|2,0,0]=3 247 B9R1.15 [13CH3]Sc1nccnc1N 62a_200025704644_100000747729 [1,0,0,0,0,0|2,0,0]=3 248 B11R1.53 C#Cc1ccccc1C(=O)C 1458a_100011243808_200000210301 [0,1,0,0,0,0|2,0,1]=4 249 B11R1.53 C#Cc1ccccc1C(=O)[13CH3] 1458a_100011243808_200025704644 [0,1,0,0,0,0|2,0,1]=4 250 B11R1.53 C=C(C)c1ccccc1CC 271570a_100000694244_100011215823 [0,1,0,0,0,0|3,0,0]=4 251 B11R1.53 C=C(C)c1ccccc1CN 271570a_100000694244_100000689332 [0,1,0,0,0,0|3,0,0]=4 252 B11R1.53 C=C(C)c1ccccc1CO 271570a_100000694244_100000187465 [0,1,0,0,0,0|3,0,0]=4 253 B11R1.53 C=C(C)c1ccccc1NC 271570a_100000694244_100020606079 [0,1,0,0,0,0|3,0,0]=4 254 B11R1.53 C=C(C)c1ccccc1NC 34a_100000037685_200000210301 [0,1,0,0,0,0|3,0,0]=4 255 B11R1.53 C=C(C)c1ccccc1N[13CH3] 34a_100000037685_200025704644 [0,1,0,0,0,0|3,0,0]=4 256 B11R1.53 C=C(C)c1ccccc1OC 271570a_100000694244_100000174000 [0,1,0,0,0,0|3,0,0]=4 257 B11R1.53 C=C(C)c1ccccc1SC 271570a_100000694244_100011217816 [0,1,0,0,0,0|3,0,0]=4 258 B11R1.53 C=C(C)c1cccnc1C#N 271570a_100000694244_100000685805 [0,1,0,0,0,0|2,0,1]=4 259 B11R1.53 C=C(C)c1cccnc1C=O 271570a_100000694244_100011934733 [0,1,0,0,0,0|2,0,1]=4 260 B11R1.53 C=C(C)c1cccnc1CC 271570a_100000694244_100009877225 [0,1,0,0,0,0|2,0,0]=3 261 B11R1.53 C=C(C)c1cccnc1CN 271570a_100000694244_100020591323 [0,1,0,0,0,0|2,0,0]=3 262 B11R1.53 C=C(C)c1cccnc1CO 271570a_100000694244_100011996772 [0,1,0,0,0,0|2,0,0]=3 263 B11R1.53 C=C(C)c1cccnc1NC 271570a_100000694244_100000700899 [0,1,0,0,0,0|2,0,0]=3 264 B11R1.53 C=C(C)c1cccnc1NN 271570a_100000694244_100011464834 [0,1,0,0,0,0|3,0,0]=4 265 B11R1.53 C=C(C)c1cccnc1OC 271570a_100000694244_100000047025 [0,1,0,0,0,0|2,0,0]=3 266 B11R1.53 C=C(C)c1cccnc1SC 271570a_100000694244_100011465278 [0,1,0,0,0,0|2,0,0]=3 267 B11R1.53 C=C(C)c1cncnc1CC 271570a_100000694244_100009816992 [0,1,0,0,0,0|3,0,0]=4 268 B11R1.53 C=C(C)c1cncnc1NC 271570a_100000694244_200012180720 [0,1,0,0,0,0|3,0,0]=4 269 B11R1.53 C=C(C)c1cncnc1OC 271570a_100000694244_100000719902 [0,1,0,0,0,0|3,0,0]=4 270 B11R1.53 C=C(C)c1ncccc1C#N 271570a_100000694244_100000211984 [0,1,0,0,0,0|2,0,1]=4 271 B11R1.53 C=C(C)c1ncccc1C=O 271570a_100000694244_100009816751 [0,1,0,0,0,0|2,0,1]=4 272 B11R1.53 C=C(C)c1ncccc1CN 271570a_100000694244_100015189234 [0,1,0,0,0,0|2,0,0]=3 273 B11R1.53 C=C(C)c1ncccc1CO 271570a_100000694244_100000748726 [0,1,0,0,0,0|2,0,0]=3 274 B11R1.53 C=C(C)c1ncccc1NC 271570a_100000694244_200011806188 [0,1,0,0,0,0|2,0,0]=3 275 B11R1.53 C=C(C)c1ncccc1OC 271570a_100000694244_100000690851 [0,1,0,0,0,0|2,0,0]=3 276 B11R1.53 C=C(C)c1nccnc1C#N 271570a_100000694244_100000040484 [0,1,0,0,0,0|1,0,1]=3 277 B11R1.53 C=C(C)c1nccnc1CC 271570a_100000694244_100011995844 [0,1,0,0,0,0|1,0,0]=2 278 B11R1.53 C=C(C)c1nccnc1CN 271570a_100000694244_100000729963 [0,1,0,0,0,0|1,0,0]=2 279 B11R1.53 C=C(C)c1nccnc1CO 271570a_100000694244_100000057004 [0,1,0,0,0,0|1,0,0]=2 280 B11R1.53 C=C(C)c1nccnc1NC 271570a_100000694244_100011529439 [0,1,0,0,0,0|1,0,0]=2 281 B11R1.53 C=C(C)c1nccnc1NN 271570a_100000694244_100000755098 [0,1,0,0,0,0|2,0,0]=3 282 B11R1.53 C=C(C)c1nccnc1OC 271570a_100000694244_100000749998 [0,1,0,0,0,0|1,0,0]=2 283 B11R1.53 C=C(C)c1ncncc1CC 271570a_100000694244_200000100055 [0,1,0,0,0,0|3,0,0]=4 284 B11R1.53 C=C(C)c1ncncc1OC 271570a_100000694244_100012001275 [0,1,0,0,0,0|3,0,0]=4 285 B11R1.53 C=Cc1ccccc1C(=O)C 1458a_100011830265_200000210301 [0,1,0,0,0,0|2,0,1]=4 286 B11R1.53 C=Cc1ccccc1C(=O)C 271570a_100011290941_100000751169 [0,1,0,0,0,0|2,0,1]=4 287 B11R1.53 C=Cc1ccccc1C(=O)[13CH3] 1458a_100011830265_200025704644 [0,1,0,0,0,0|2,0,1]=4 288 B11R1.53 C=Cc1cccnc1C(=O)C 271570a_100011290941_100012348690 [0,1,0,0,0,0|1,0,1]=3 289 B11R1.53 C=Cc1cccnc1C(=O)N 271570a_100011290941_200012359670 [0,1,0,0,0,0|2,0,1]=4 290 B11R1.53 C=Cc1ncccc1C(=O)C 271570a_100011290941_100000753718 [0,1,0,0,0,0|1,0,1]=3 291 B11R1.53 C=Cc1ncccc1C(=O)N 271570a_100011290941_100000162199 [0,1,0,0,0,0|2,0,1]=4 292 B11R1.53 C=Cc1nccnc1C(=O)C 271570a_100011290941_100000099859 [0,1,0,0,0,0|0,0,1]=2 293 B11R1.53 C=Cc1nccnc1C(=O)N 271570a_100011290941_100000094861 [0,1,0,0,0,0|1,0,1]=3 294 B11R1.53 C=Cc1nccnc1N(C)C 271570a_100011290941_100000703087 [0,1,0,0,0,0|2,0,1]=4 295 B11R1.53 CC(=O)c1ccccc1C#N 1458a_100000742908_200000210301 [0,1,0,0,0,0|2,0,1]=4 296 B11R1.53 CC(=O)c1ccccc1CO 1458a_100011301526_200000210301 [0,1,0,0,0,0|2,0,0]=3 297 B11R1.53 CC(=O)c1ccccc1I=O 1458a_100000032414_200000210301 [0,1,0,0,0,0|3,0,0]=4 298 B11R1.53 CC(=O)c1ccccc1S[13CH3] 62a_100000751169_200025704644 [0,1,0,0,0,0|2,0,0]=3 299 B11R1.53 CC(=O)c1cccnc1S[13CH3] 62a_100000753718_200025704644 [0,1,0,0,0,0|1,0,0]=2 300 B11R1.53 CC(=O)c1cccnc1S[13CH3] 62a_200025704644_100000753718 [0,1,0,0,0,0|1,0,0]=2 301 B11R1.53 CC(=O)c1ccncc1O[13CH3] 7a_100009872882_200025704644 [0,1,0,0,0,0|3,0,0]=4 302 B11R1.53 CC(=O)c1ccncc1S[13CH3] 62a_100009993184_200025704644 [0,1,0,0,0,0|3,0,0]=4 303 B11R1.53 CC(=O)c1ccncc1S[13CH3] 62a_200025704644_100009993184 [0,1,0,0,0,0|3,0,0]=4 304 B11R1.53 CC(=O)c1cnccc1S[13CH3] 62a_100160469449_200025704644 [0,1,0,0,0,0|3,0,0]=4 305 B11R1.53 CC(=O)c1cnccc1S[13CH3] 62a_200025704644_100160469449 [0,1,0,0,0,0|3,0,0]=4 306 B11R1.53 CC(=O)c1ncccc1O[13CH3] 34a_100000087166_200025704644 [0,1,0,0,0,0|1,0,0]=2 307 B11R1.53 CC(=O)c1ncccc1O[13CH3] 7a_100000087166_200025704644 [0,1,0,0,0,0|1,0,0]=2 308 B11R1.53 CC(=O)c1ncccc1S[13CH3] 62a_100012348690_200025704644 [0,1,0,0,0,0|1,0,0]=2 309 B11R1.53 CC(=O)c1ncccc1S[13CH3] 62a_200025704644_100012348690 [0,1,0,0,0,0|1,0,0]=2 310 B11R1.53 CC(=O)c1nccnc1S[13CH3] 62a_100000099859_200025704644 [0,1,0,0,0,0|0,0,0]=1 311 B11R1.53 CC(=O)c1nccnc1S[13CH3] 62a_200025704644_100000099859 [0,1,0,0,0,0|0,0,0]=1 312 B11R1.53 CC(C)c1cccnc1S[13CH3] 62a_200010382935_200025704644 [0,1,0,0,0,0|2,0,1]=4 313 B11R1.53 CC(C)c1cccnc1S[13CH3] 62a_200025704644_200010382935 [0,1,0,0,0,0|2,0,1]=4 314 B11R1.53 CC(C)c1ncccc1O[13CH3] 34a_100012183336_200025704644 [0,1,0,0,0,0|2,0,1]=4 315 B11R1.53 CC(C)c1ncccc1O[13CH3] 7a_100012183336_200025704644 [0,1,0,0,0,0|2,0,1]=4 316 B11R1.53 CC(N)c1ncccc1S[13CH3] 62a_100159271932_200025704644 [0,1,0,0,0,0|2,0,1]=4 317 B11R1.53 CC(N)c1ncccc1S[13CH3] 62a_200025704644_100159271932 [0,1,0,0,0,0|2,0,1]=4 318 B11R1.53 CC(O)c1cccnc1S[13CH3] 62a_100009865335_200025704644 [0,1,0,0,0,0|1,0,2]=4 319 B11R1.53 CC(O)c1cccnc1S[13CH3] 62a_200025704644_100009865335 [0,1,0,0,0,0|1,0,2]=4 320 B11R1.53 CCc1ccccc1C(=O)C 1458a_100000689120_200000210301 [0,1,0,0,0,0|2,0,0]=3 321 B11R1.53 CCc1ccccc1C(=O)[13CH3] 1458a_100000689120_200025704644 [0,1,0,0,0,0|2,0,0]=3 322 B11R1.53 CCc1nccnc1N(C)C 27a_100102631434_100011995844 [0,1,0,0,0,0|2,0,0]=3 323 B11R1.53 CN(C)c1ncccc1S[13CH3] 62a_100011465059_200025704644 [0,1,0,0,0,0|3,0,0]=4 324 B11R1.53 CN(C)c1ncccc1S[13CH3] 62a_200025704644_100011465059 [0,1,0,0,0,0|3,0,0]=4 325 B11R1.53 CN(C)c1nccnc1C#N 27a_100102631434_100000040484 [0,1,0,0,0,0|2,0,1]=4 326 B11R1.53 CN(C)c1nccnc1S[13CH3] 62a_200025704644_100000703087 [0,1,0,0,0,0|2,0,0]=3 327 B11R1.53 CNc1ccccc1C(=O)N 34a_100000185089_200000210301 [0,1,0,0,0,0|3,0,0]=4 328 B11R1.53 CNc1cccnc1C(=O)N 27a_100102657272_200012359670 [0,1,0,0,0,0|2,0,0]=3 329 B11R1.53 CNc1ccncc1C(=O)C 27a_100102657272_100160469449 [0,1,0,0,0,0|3,0,0]=4 330 B11R1.53 CNc1ncccc1C(=O)C 27a_100102657272_100009816689 [0,1,0,0,0,0|1,0,0]=2 331 B11R1.53 CNc1ncccc1C(=O)N 27a_100102657272_100000162199 [0,1,0,0,0,0|2,0,0]=3 332 B11R1.53 CNc1nccnc1C(=O)C 27a_100102657272_100000099859 [0,1,0,0,0,0|0,0,0]=1 333 B11R1.53 CNc1nccnc1C(=O)N 27a_100102657272_100000094861 [0,1,0,0,0,0|1,0,0]=2 334 B11R1.53 CNc1nccnc1N(C)C 27a_100102657272_100000703087 [0,1,0,0,0,0|2,0,0]=3 335 B11R1.53 COc1ccccc1C(=O)C 1458a_100000185835_200000210301 [0,1,0,0,0,0|2,0,0]=3 336 B11R1.53 COc1ccccc1C(=O)N 34a_100000192804_200000210301 [0,1,0,0,0,0|3,0,0]=4 337 B11R1.53 COc1ccccc1C(=O)N 7a_100000192804_200000210301 [0,1,0,0,0,0|3,0,0]=4 338 B11R1.53 COc1ccccc1C(=O)[13CH3] 1458a_100000185835_200025704644 [0,1,0,0,0,0|2,0,0]=3 339 B11R1.53 COc1ccccc1C(=O)[O-] 7a_100015234032_200000210301 [0,1,0,0,0,0|3,0,0]=4 340 B11R1.53 COc1cccnc1C(=O)C 34a_100000087166_200000210301 [0,1,0,0,0,0|1,0,0]=2 341 B11R1.53 COc1cccnc1C(=O)C 7a_100000087166_200000210301 [0,1,0,0,0,0|1,0,0]=2 342 B11R1.53 COc1cccnc1C(=O)N 34a_200011215183_200000210301 [0,1,0,0,0,0|2,0,0]=3 343 B11R1.53 COc1cccnc1C(=O)N 7a_200011215183_200000210301 [0,1,0,0,0,0|2,0,0]=3 344 B11R1.53 COc1cccnc1C(C)C 34a_100012183336_200000210301 [0,1,0,0,0,0|2,0,1]=4 345 B11R1.53 COc1cccnc1C(C)C 7a_100012183336_200000210301 [0,1,0,0,0,0|2,0,1]=4 346 B11R1.53 COc1cccnc1[N+](=O)[O-] 7a_100000183951_200000210301 [0,1,0,0,0,0|3,0,0]=4 347 B11R1.53 COc1cnccc1C(=O)C 7a_100009872882_200000210301 [0,1,0,0,0,0|3,0,0]=4 348 B11R1.53 COc1nccnc1C(=O)N 34a_100011830332_200000210301 [0,1,0,0,0,0|1,0,0]=2 349 B11R1.53 COc1nccnc1N(C)C 27a_100102631434_100009858322 [0,1,0,0,0,0|2,0,0]=3 350 B11R1.53 CS(=O)c1ccccc1S[13CH3] 62a_100000734199_200025704644 [0,1,0,0,0,0|3,0,0]=4 351 B11R1.53 CSc1ccccc1C(=O)C 1458a_100000183967_200000210301 [0,1,0,0,0,0|2,0,0]=3 352 B11R1.53 CSc1ccccc1C(=O)C 62a_100000751169_200000210301 [0,1,0,0,0,0|2,0,0]=3 353 B11R1.53 CSc1ccccc1C(=O)N 62a_100000162227_200000210301 [0,1,0,0,0,0|3,0,0]=4 354 B11R1.53 CSc1ccccc1C(=O)N 62a_200000210301_100000162227 [0,1,0,0,0,0|3,0,0]=4 355 B11R1.53 CSc1ccccc1C(=O)O 62a_200000210301_100000734275 [0,1,0,0,0,0|3,0,0]=4 356 B11R1.53 CSc1ccccc1C(=O)O 62a_202125556159_200000210301 [0,1,0,0,0,0|3,0,0]=4 357 B11R1.53 CSc1ccccc1C(=O)[13CH3] 1458a_100000183967_200025704644 [0,1,0,0,0,0|2,0,0]=3 358 B11R1.53 CSc1ccccc1S(=O)C 62a_100000734199_200000210301 [0,1,0,0,0,0|3,0,0]=4 359 B11R1.53 CSc1cccnc1C(=O)C 62a_100012348690_200000210301 [0,1,0,0,0,0|1,0,0]=2 360 B11R1.53 CSc1cccnc1C(=O)C 62a_200000210301_100012348690 [0,1,0,0,0,0|1,0,0]=2 361 B11R1.53 CSc1cccnc1C(=O)N 62a_200000210301_200012359670 [0,1,0,0,0,0|2,0,0]=3 362 B11R1.53 CSc1cccnc1C(=O)N 62a_200012359670_200000210301 [0,1,0,0,0,0|2,0,0]=3 363 B11R1.53 CSc1cccnc1C(C)N 62a_100159271932_200000210301 [0,1,0,0,0,0|2,0,1]=4 364 B11R1.53 CSc1cccnc1C(C)N 62a_200000210301_100159271932 [0,1,0,0,0,0|2,0,1]=4 365 B11R1.53 CSc1cccnc1N(C)C 62a_100011465059_200000210301 [0,1,0,0,0,0|3,0,0]=4 366 B11R1.53 CSc1cccnc1N(C)C 62a_200000210301_100011465059 [0,1,0,0,0,0|3,0,0]=4 367 B11R1.53 CSc1cccnc1[C@H](C)O 62a_100013325542_200000210301 [0,1,0,0,0,0|1,0,2]=4 368 B11R1.53 CSc1cccnc1[C@H](C)O 62a_200000210301_100013325542 [0,1,0,0,0,0|1,0,2]=4 369 B11R1.53 CSc1ccncc1C(=O)C 62a_100160469449_200000210301 [0,1,0,0,0,0|3,0,0]=4 370 B11R1.53 CSc1ccncc1C(=O)C 62a_200000210301_100160469449 [0,1,0,0,0,0|3,0,0]=4 371 B11R1.53 CSc1cnccc1C(=O)C 62a_100009993184_200000210301 [0,1,0,0,0,0|3,0,0]=4 372 B11R1.53 CSc1cnccc1C(=O)C 62a_200000210301_100009993184 [0,1,0,0,0,0|3,0,0]=4 373 B11R1.53 CSc1ncccc1C(=O)C 62a_100000753718_200000210301 [0,1,0,0,0,0|1,0,0]=2 374 B11R1.53 CSc1ncccc1C(=O)C 62a_200000210301_100000753718 [0,1,0,0,0,0|1,0,0]=2 375 B11R1.53 CSc1ncccc1C(=O)N 62a_100000162199_200000210301 [0,1,0,0,0,0|2,0,0]=3 376 B11R1.53 CSc1ncccc1C(=O)N 62a_200000210301_100000162199 [0,1,0,0,0,0|2,0,0]=3 377 B11R1.53 CSc1ncccc1C(C)C 62a_200000210301_200010382935 [0,1,0,0,0,0|2,0,1]=4 378 B11R1.53 CSc1ncccc1C(C)C 62a_200010382935_200000210301 [0,1,0,0,0,0|2,0,1]=4 379 B11R1.53 CSc1ncccc1C(C)O 62a_100009865335_200000210301 [0,1,0,0,0,0|1,0,2]=4 380 B11R1.53 CSc1ncccc1C(C)O 62a_200000210301_100009865335 [0,1,0,0,0,0|1,0,2]=4 381 B11R1.53 CSc1nccnc1C(=O)C 62a_100000099859_200000210301 [0,1,0,0,0,0|0,0,0]=1 382 B11R1.53 CSc1nccnc1C(=O)C 62a_200000210301_100000099859 [0,1,0,0,0,0|0,0,0]=1 383 B11R1.53 CSc1nccnc1C(=O)N 62a_100000094861_200000210301 [0,1,0,0,0,0|1,0,0]=2 384 B11R1.53 CSc1nccnc1C(=O)N 62a_200000210301_100000094861 [0,1,0,0,0,0|1,0,0]=2 385 B11R1.53 CSc1nccnc1N(C)C 62a_200000210301_100000703087 [0,1,0,0,0,0|2,0,0]=3 386 B11R1.53 C[C@H](O)c1ncccc1S[13CH3] 62a_100013325542_200025704644 [0,1,0,0,0,0|1,0,2]=4 387 B11R1.53 C[C@H](O)c1ncccc1S[13CH3] 62a_200025704644_100013325542 [0,1,0,0,0,0|1,0,2]=4 388 B11R1.53 [13CH3]C(=O)c1ccccc1C#N 1458a_100000742908_200025704644 [0,1,0,0,0,0|2,0,1]=4 389 B11R1.53 [13CH3]C(=O)c1ccccc1CO 1458a_100011301526_200025704644 [0,1,0,0,0,0|2,0,0]=3 390 B11R1.53 [13CH3]C(=O)c1ccccc1I=O 1458a_100000032414_200025704644 [0,1,0,0,0,0|3,0,0]=4 391 B11R1.53 [13CH3]Nc1ccccc1C(=O)N 34a_100000185089_200025704644 [0,1,0,0,0,0|3,0,0]=4 392 B11R1.53 [13CH3]Oc1ccccc1C(=O)N 34a_100000192804_200025704644 [0,1,0,0,0,0|3,0,0]=4 393 B11R1.53 [13CH3]Oc1ccccc1C(=O)N 7a_100000192804_200025704644 [0,1,0,0,0,0|3,0,0]=4 394 B11R1.53 [13CH3]Oc1ccccc1C(=O)[O-] 7a_100015234032_200025704644 [0,1,0,0,0,0|3,0,0]=4 395 B11R1.53 [13CH3]Oc1cccnc1C(=O)N 34a_200011215183_200025704644 [0,1,0,0,0,0|2,0,0]=3 396 B11R1.53 [13CH3]Oc1cccnc1C(=O)N 7a_200011215183_200025704644 [0,1,0,0,0,0|2,0,0]=3 397 B11R1.53 [13CH3]Oc1cccnc1[N+](=O)[O-] 7a_100000183951_200025704644 [0,1,0,0,0,0|3,0,0]=4 398 B11R1.53 [13CH3]Oc1nccnc1C(=O)N 34a_100011830332_200025704644 [0,1,0,0,0,0|1,0,0]=2 399 B11R1.53 [13CH3]Sc1ccccc1C(=O)N 62a_100000162227_200025704644 [0,1,0,0,0,0|3,0,0]=4 400 B11R1.53 [13CH3]Sc1ccccc1C(=O)N 62a_200025704644_100000162227 [0,1,0,0,0,0|3,0,0]=4 401 B11R1.53 [13CH3]Sc1ccccc1C(=O)O 62a_200025704644_100000734275 [0,1,0,0,0,0|3,0,0]=4 402 B11R1.53 [13CH3]Sc1ccccc1C(=O)O 62a_202125556159_200025704644 [0,1,0,0,0,0|3,0,0]=4 403 B11R1.53 [13CH3]Sc1cccnc1C(=O)N 62a_200012359670_200025704644 [0,1,0,0,0,0|2,0,0]=3 404 B11R1.53 [13CH3]Sc1cccnc1C(=O)N 62a_200025704644_200012359670 [0,1,0,0,0,0|2,0,0]=3 405 B11R1.53 [13CH3]Sc1ncccc1C(=O)N 62a_100000162199_200025704644 [0,1,0,0,0,0|2,0,0]=3 406 B11R1.53 [13CH3]Sc1ncccc1C(=O)N 62a_200025704644_100000162199 [0,1,0,0,0,0|2,0,0]=3 407 B11R1.53 [13CH3]Sc1nccnc1C(=O)N 62a_100000094861_200025704644 [0,1,0,0,0,0|1,0,0]=2 408 B11R1.53 [13CH3]Sc1nccnc1C(=O)N 62a_200025704644_100000094861 [0,1,0,0,0,0|1,0,0]=2 409 B11R1.87 CS(=O)(=O)c1ncccc1O 271570a_203496583355_100009830116 [0,1,0,0,0,0|3,0,0]=4 410 B11R1.156 C=C(C)c1c(ccc[n+]1[O-])C 271570a_100000694244_100116209805 [0,1,0,0,0,0|2,0,1]=4 411 B11R1.156 C=C(C)c1c(cccc1C)C 271570a_100000694244_100000033847 [0,1,0,0,0,0|3,0,0]=4 412 B11R1.156 C=C(C)c1c(cccc1Cl)C 271570a_100000694244_100000043165 [0,1,0,0,0,0|3,0,0]=4 413 B11R1.156 C=C(C)c1c(cccc1F)C 271570a_100000694244_100012349962 [0,1,0,0,0,0|3,0,0]=4 414 B11R1.156 C=C(C)c1c(cccc1N)C 271570a_100000694244_100000684715 [0,1,0,0,0,0|3,0,0]=4 415 B11R1.156 C=C(C)c1c(cccc1O)C 271570a_100000694244_100000686692 [0,1,0,0,0,0|3,0,0]=4 416 B11R1.156 C=C(C)c1c(ccnc1C)C 271570a_100000694244_100012000501 [0,1,0,0,0,0|2,0,0]=3 417 B11R1.156 C=C(C)c1c(ccnc1C)N 271570a_100000694244_100010243816 [0,1,0,0,0,0|2,0,0]=3 418 B11R1.156 C=C(C)c1c(ccnc1F)C 271570a_100000694244_100009818256 [0,1,0,0,0,0|3,0,0]=4 419 B11R1.156 C=C(C)c1c(ccnc1F)F 271570a_100000694244_100009874084 [0,1,0,0,0,0|3,0,0]=4 420 B11R1.156 C=C(C)c1c(ccnc1F)N 271570a_100000694244_100010381272 [0,1,0,0,0,0|3,0,0]=4 421 B11R1.156 C=C(C)c1c(ccnc1N)C 271570a_100000694244_100011998619 [0,1,0,0,0,0|3,0,0]=4 422 B11R1.156 C=C(C)c1c(ccnc1N)Cl 271570a_100000694244_100010199028 [0,1,0,0,0,0|3,0,0]=4 423 B11R1.156 C=C(C)c1c(ccnc1O)C 271570a_100000694244_100012000493 [0,1,0,0,0,0|3,0,0]=4 424 B11R1.156 C=C(C)c1c(ccnc1O)O 271570a_100000694244_200009817435 [0,1,0,0,0,0|3,0,0]=4 425 B11R1.156 C=C(C)c1c(nc[nH]c1=O)C 271570a_100000694244_100011356812 [0,1,0,0,0,0|3,0,0]=4 426 B11R1.156 C=C(C)c1c(ncnc1C)C 271570a_100000694244_100009820708 [0,1,0,0,0,0|3,0,0]=4 427 B11R1.156 C=C(C)c1c(ncnc1N)C 271570a_100000694244_100011996190 [0,1,0,0,0,0|3,0,0]=4 428 B11R1.156 CC(=O)c1c(cccc1Br)Br 1458a_100000690891_200000210301 [0,1,0,0,0,0|3,0,0]=4 429 B11R1.156 CC(=O)c1c(cccc1Br)C 1458a_100000701904_200000210301 [0,1,0,0,0,0|2,0,0]=3 430 B11R1.156 CC(=O)c1c(cccc1Br)Cl 1458a_100011253703_200000210301 [0,1,0,0,0,0|3,0,0]=4 431 B11R1.156 CC(=O)c1c(cccc1Br)F 1458a_100000752694_200000210301 [0,1,0,0,0,0|3,0,0]=4 432 B11R1.156 CC(=O)c1c(cccc1Br)O 1458a_100011935254_200000210301 [0,1,0,0,0,0|3,0,0]=4 433 B11R1.156 CC(=O)c1c(cccc1C)C 1458a_100000758298_200000210301 [0,1,0,0,0,0|2,0,0]=3 434 B11R1.156 CC(=O)c1c(cccc1Cl)C 1458a_100000692601_200000210301 [0,1,0,0,0,0|2,0,0]=3 435 B11R1.156 CC(=O)c1c(cccc1Cl)Cl 1458a_100000210656_200000210301 [0,1,0,0,0,0|3,0,0]=4 436 B11R1.156 CC(=O)c1c(cccc1Cl)F 1458a_100000210369_200000210301 [0,1,0,0,0,0|3,0,0]=4 437 B11R1.156 CC(=O)c1c(cccc1Cl)O 1458a_100000745519_200000210301 [0,1,0,0,0,0|3,0,0]=4 438 B11R1.156 CC(=O)c1c(cccc1F)C 1458a_100000762013_200000210301 [0,1,0,0,0,0|2,0,0]=3 439 B11R1.156 CC(=O)c1c(cccc1F)F 1458a_100000210804_200000210301 [0,1,0,0,0,0|3,0,0]=4 440 B11R1.156 CC(=O)c1c(cccc1F)O 1458a_100000763259_200000210301 [0,1,0,0,0,0|3,0,0]=4 441 B11R1.156 CC(=O)c1c(cccc1F)O 271570a_203496583355_100012351873 [0,1,0,0,0,0|3,0,0]=4 442 B11R1.156 CC(=O)c1c(cccc1I)Br 1458a_100010232521_200000210301 [0,1,0,0,0,0|3,0,0]=4 443 B11R1.156 CC(=O)c1c(cccc1I)C 1458a_100000688020_200000210301 [0,1,0,0,0,0|2,0,0]=3 444 B11R1.156 CC(=O)c1c(cccc1I)Cl 1458a_100000702859_200000210301 [0,1,0,0,0,0|3,0,0]=4 445 B11R1.156 CC(=O)c1c(cccc1I)F 1458a_100000023732_200000210301 [0,1,0,0,0,0|3,0,0]=4 446 B11R1.156 CC(=O)c1c(cccc1O)C 1458a_100011934116_200000210301 [0,1,0,0,0,0|2,0,0]=3 447 B11R1.156 CC(=O)c1c(cccc1O)O 1458a_100000755285_200000210301 [0,1,0,0,0,0|3,0,0]=4 448 B11R1.156 CC(=O)c1c(cccc1O)O 271570a_203496583355_100010174959 [0,1,0,0,0,0|3,0,0]=4 449 B11R1.156 CC(=O)c1c(ccnc1O)N 271570a_203496583355_200010729368 [0,1,0,0,0,0|2,0,0]=3 450 B11R1.156 Cc1cccc(c1C(=O)[13CH3])Br 1458a_100000701904_200025704644 [0,1,0,0,0,0|2,0,0]=3 451 B11R1.156 Cc1cccc(c1C(=O)[13CH3])C 1458a_100000758298_200025704644 [0,1,0,0,0,0|2,0,0]=3 452 B11R1.156 Cc1cccc(c1C(=O)[13CH3])Cl 1458a_100000692601_200025704644 [0,1,0,0,0,0|2,0,0]=3 453 B11R1.156 Cc1cccc(c1C(=O)[13CH3])F 1458a_100000762013_200025704644 [0,1,0,0,0,0|2,0,0]=3 454 B11R1.156 Cc1cccc(c1C(=O)[13CH3])I 1458a_100000688020_200025704644 [0,1,0,0,0,0|2,0,0]=3 455 B11R1.156 Cc1cccc(c1C(=O)[13CH3])O 1458a_100011934116_200025704644 [0,1,0,0,0,0|2,0,0]=3 456 B11R1.156 [13CH3]C(=O)c1c(cccc1Br)Br 1458a_100000690891_200025704644 [0,1,0,0,0,0|3,0,0]=4 457 B11R1.156 [13CH3]C(=O)c1c(cccc1Br)Cl 1458a_100011253703_200025704644 [0,1,0,0,0,0|3,0,0]=4 458 B11R1.156 [13CH3]C(=O)c1c(cccc1Br)F 1458a_100000752694_200025704644 [0,1,0,0,0,0|3,0,0]=4 459 B11R1.156 [13CH3]C(=O)c1c(cccc1Br)O 1458a_100011935254_200025704644 [0,1,0,0,0,0|3,0,0]=4 460 B11R1.156 [13CH3]C(=O)c1c(cccc1Cl)Cl 1458a_100000210656_200025704644 [0,1,0,0,0,0|3,0,0]=4 461 B11R1.156 [13CH3]C(=O)c1c(cccc1Cl)F 1458a_100000210369_200025704644 [0,1,0,0,0,0|3,0,0]=4 462 B11R1.156 [13CH3]C(=O)c1c(cccc1Cl)O 1458a_100000745519_200025704644 [0,1,0,0,0,0|3,0,0]=4 463 B11R1.156 [13CH3]C(=O)c1c(cccc1F)F 1458a_100000210804_200025704644 [0,1,0,0,0,0|3,0,0]=4 464 B11R1.156 [13CH3]C(=O)c1c(cccc1F)O 1458a_100000763259_200025704644 [0,1,0,0,0,0|3,0,0]=4 465 B11R1.156 [13CH3]C(=O)c1c(cccc1I)Br 1458a_100010232521_200025704644 [0,1,0,0,0,0|3,0,0]=4 466 B11R1.156 [13CH3]C(=O)c1c(cccc1I)Cl 1458a_100000702859_200025704644 [0,1,0,0,0,0|3,0,0]=4 467 B11R1.156 [13CH3]C(=O)c1c(cccc1I)F 1458a_100000023732_200025704644 [0,1,0,0,0,0|3,0,0]=4 468 B11R1.156 [13CH3]C(=O)c1c(cccc1O)O 1458a_100000755285_200025704644 [0,1,0,0,0,0|3,0,0]=4 469 B11R1.159 C=C(C)c1cccc(c1C)Br 271570a_100000694244_100012353703 [0,1,0,0,0,0|3,0,0]=4 470 B11R1.159 C=C(C)c1cccc(c1C)C 271570a_100000694244_100011214922 [0,1,0,0,0,0|3,0,0]=4 471 B11R1.159 C=C(C)c1cccc(c1C)Cl 271570a_100000694244_100000726075 [0,1,0,0,0,0|3,0,0]=4 472 B11R1.159 C=C(C)c1cccc(c1C)F 271570a_100000694244_100011216893 [0,1,0,0,0,0|3,0,0]=4 473 B11R1.159 C=C(C)c1cccc(c1C)N 271570a_100000694244_100000761887 [0,1,0,0,0,0|3,0,0]=4 474 B11R1.159 C=C(C)c1cccc(c1C)O 271570a_100000694244_100012002258 [0,1,0,0,0,0|3,0,0]=4 475 B11R1.159 C=C(C)c1nccc(c1C)C 271570a_100000694244_100009847204 [0,1,0,0,0,0|2,0,0]=3 476 B11R1.159 C=C(C)c1nccc(c1C)F 271570a_100000694244_100009846374 [0,1,0,0,0,0|2,0,0]=3 477 B11R1.159 C=C(C)c1nccc(c1C)N 271570a_100000694244_100009980296 [0,1,0,0,0,0|2,0,0]=3 478 B11R1.159 C=C(C)c1nccc(c1F)C 271570a_100000694244_100009817629 [0,1,0,0,0,0|3,0,0]=4 479 B11R1.159 C=C(C)c1nccc(c1F)N 271570a_100000694244_100015205195 [0,1,0,0,0,0|3,0,0]=4 480 B11R1.159 C=C(C)c1nccc(c1F)O 271570a_100000694244_100009876375 [0,1,0,0,0,0|3,0,0]=4 481 B11R1.159 C=C(C)c1nccc(c1N)C 271570a_100000694244_100000763560 [0,1,0,0,0,0|3,0,0]=4 482 B11R1.159 C=C(C)c1nccc(c1N)N 271570a_100000694244_100000085203 [0,1,0,0,0,0|3,0,0]=4 483 B11R1.159 C=C(C)c1nccc(c1N)O 271570a_100000694244_100000128729 [0,1,0,0,0,0|3,0,0]=4 484 B11R1.159 C=C(C)c1nccc(c1O)C 271570a_100000694244_100000696282 [0,1,0,0,0,0|3,0,0]=4 485 B11R1.159 C=C(C)c1nccc(c1O)F 271570a_100000694244_100009867227 [0,1,0,0,0,0|3,0,0]=4 486 B11R1.159 C=C(C)c1ncnc(c1C)C 271570a_100000694244_100011438038 [0,1,0,0,0,0|3,0,0]=4 487 B11R1.159 C=C(C)c1ncnc(c1C)N 271570a_100000694244_100011913465 [0,1,0,0,0,0|3,0,0]=4 488 B11R1.159 C=C(C)c1ncnc(c1C)O 271570a_100000694244_100011912821 [0,1,0,0,0,0|3,0,0]=4 489 B11R1.159 C=C(C)c1nncc(c1C)N 271570a_100000694244_200011012966 [0,1,0,0,0,0|3,0,0]=4 490 B11R1.159 CC(=O)c1cccc(c1Br)Br 1458a_100012360534_200000210301 [0,1,0,0,0,0|3,0,0]=4 491 B11R1.159 CC(=O)c1cccc(c1Br)C 1458a_100000692419_200000210301 [0,1,0,0,0,0|3,0,0]=4 492 B11R1.159 CC(=O)c1cccc(c1Br)Cl 1458a_100012339722_200000210301 [0,1,0,0,0,0|3,0,0]=4 493 B11R1.159 CC(=O)c1cccc(c1Br)F 1458a_100011217547_200000210301 [0,1,0,0,0,0|3,0,0]=4 494 B11R1.159 CC(=O)c1cccc(c1Br)I 1458a_100010232522_200000210301 [0,1,0,0,0,0|3,0,0]=4 495 B11R1.159 CC(=O)c1cccc(c1Br)O 1458a_100010230362_200000210301 [0,1,0,0,0,0|3,0,0]=4 496 B11R1.159 CC(=O)c1cccc(c1C)Br 1458a_100000760464_200000210301 [0,1,0,0,0,0|2,0,0]=3 497 B11R1.159 CC(=O)c1cccc(c1C)C 1458a_100000183679_200000210301 [0,1,0,0,0,0|2,0,0]=3 498 B11R1.159 CC(=O)c1cccc(c1C)Cl 1458a_100000690184_200000210301 [0,1,0,0,0,0|2,0,0]=3 499 B11R1.159 CC(=O)c1cccc(c1C)F 1458a_100011218272_200000210301 [0,1,0,0,0,0|2,0,0]=3 500 B11R1.159 CC(=O)c1cccc(c1C)I 1458a_100000751865_200000210301 [0,1,0,0,0,0|2,0,0]=3 501 B11R1.159 CC(=O)c1cccc(c1C)O 1458a_100000766327_200000210301 [0,1,0,0,0,0|2,0,0]=3 502 B11R1.159 CC(=O)c1cccc(c1C)O 271570a_203496583355_100012706834 [0,1,0,0,0,0|2,0,0]=3 503 B11R1.159 CC(=O)c1cccc(c1Cl)Br 1458a_100000760540_200000210301 [0,1,0,0,0,0|3,0,0]=4 504 B11R1.159 CC(=O)c1cccc(c1Cl)C 1458a_100000693142_200000210301 [0,1,0,0,0,0|3,0,0]=4 505 B11R1.159 CC(=O)c1cccc(c1Cl)Cl 1458a_100000183631_200000210301 [0,1,0,0,0,0|3,0,0]=4 506 B11R1.159 CC(=O)c1cccc(c1Cl)F 1458a_100000759904_200000210301 [0,1,0,0,0,0|3,0,0]=4 507 B11R1.159 CC(=O)c1cccc(c1Cl)I 1458a_100010176783_200000210301 [0,1,0,0,0,0|3,0,0]=4 508 B11R1.159 CC(=O)c1cccc(c1Cl)O 1458a_100000092362_200000210301 [0,1,0,0,0,0|3,0,0]=4 509 B11R1.159 CC(=O)c1cccc(c1F)Br 1458a_100000756403_200000210301 [0,1,0,0,0,0|3,0,0]=4 510 B11R1.159 CC(=O)c1cccc(c1F)C 1458a_100000766181_200000210301 [0,1,0,0,0,0|3,0,0]=4 511 B11R1.159 CC(=O)c1cccc(c1F)Cl 1458a_100000688816_200000210301 [0,1,0,0,0,0|3,0,0]=4 512 B11R1.159 CC(=O)c1cccc(c1F)F 1458a_100000748134_200000210301 [0,1,0,0,0,0|3,0,0]=4 513 B11R1.159 CC(=O)c1cccc(c1F)I 1458a_100010185205_200000210301 [0,1,0,0,0,0|3,0,0]=4 514 B11R1.159 CC(=O)c1cccc(c1F)O 1458a_100000037433_200000210301 [0,1,0,0,0,0|3,0,0]=4 515 B11R1.159 CC(=O)c1cccc(c1F)O 271570a_203496583355_100012355707 [0,1,0,0,0,0|3,0,0]=4 516 B11R1.159 CC(=O)c1cccc(c1I)Br 1458a_100000688019_200000210301 [0,1,0,0,0,0|3,0,0]=4 517 B11R1.159 CC(=O)c1cccc(c1I)C 1458a_100000739377_200000210301 [0,1,0,0,0,0|3,0,0]=4 518 B11R1.159 CC(=O)c1cccc(c1I)Cl 1458a_100010176784_200000210301 [0,1,0,0,0,0|3,0,0]=4 519 B11R1.159 CC(=O)c1cccc(c1I)F 1458a_100000690930_200000210301 [0,1,0,0,0,0|3,0,0]=4 520 B11R1.159 CC(=O)c1cccc(c1I)O 1458a_100010084636_200000210301 [0,1,0,0,0,0|3,0,0]=4 521 B11R1.159 CC(=O)c1cccc(c1O)Br 1458a_100000752940_200000210301 [0,1,0,0,0,0|3,0,0]=4 522 B11R1.159 CC(=O)c1cccc(c1O)C 1458a_100000183896_200000210301 [0,1,0,0,0,0|3,0,0]=4 523 B11R1.159 CC(=O)c1cccc(c1O)Cl 1458a_100000742801_200000210301 [0,1,0,0,0,0|3,0,0]=4 524 B11R1.159 CC(=O)c1cccc(c1O)F 1458a_100011217230_200000210301 [0,1,0,0,0,0|3,0,0]=4 525 B11R1.159 CC(=O)c1cccc(c1O)F 271570a_203496583355_100012362612 [0,1,0,0,0,0|3,0,0]=4 526 B11R1.159 CC(=O)c1cccc(c1O)O 1458a_100000690420_200000210301 [0,1,0,0,0,0|3,0,0]=4 527 B11R1.159 CC(=O)c1cccc(c1O)O 271570a_203496583355_100009815558 [0,1,0,0,0,0|3,0,0]=4 528 B11R1.159 CC(=O)c1nccc(c1F)O 271570a_203496583355_100010729024 [0,1,0,0,0,0|2,0,0]=3 529 B11R1.159 Cc1c(cccc1C(=O)N)O 271570a_203496583355_200012298201 [0,1,0,0,0,0|3,0,0]=4 530 B11R1.159 Cc1c(cccc1C(=O)[13CH3])Br 1458a_100000760464_200025704644 [0,1,0,0,0,0|2,0,0]=3 531 B11R1.159 Cc1c(cccc1C(=O)[13CH3])Cl 1458a_100000690184_200025704644 [0,1,0,0,0,0|2,0,0]=3 532 B11R1.159 Cc1c(cccc1C(=O)[13CH3])F 1458a_100011218272_200025704644 [0,1,0,0,0,0|2,0,0]=3 533 B11R1.159 Cc1c(cccc1C(=O)[13CH3])I 1458a_100000751865_200025704644 [0,1,0,0,0,0|2,0,0]=3 534 B11R1.159 Cc1c(cccc1C(=O)[13CH3])O 1458a_100000766327_200025704644 [0,1,0,0,0,0|2,0,0]=3 535 B11R1.159 Cc1c(ccnc1N(C)C)F 27a_100102631434_100009846374 [0,1,0,0,0,0|3,0,0]=4 536 B11R1.159 Cc1cccc(c1Br)C(=O)[13CH3] 1458a_100000692419_200025704644 [0,1,0,0,0,0|3,0,0]=4 537 B11R1.159 Cc1cccc(c1C)C(=O)[13CH3] 1458a_100000183679_200025704644 [0,1,0,0,0,0|2,0,0]=3 538 B11R1.159 Cc1cccc(c1Cl)C(=O)[13CH3] 1458a_100000693142_200025704644 [0,1,0,0,0,0|3,0,0]=4 539 B11R1.159 Cc1cccc(c1F)C(=O)[13CH3] 1458a_100000766181_200025704644 [0,1,0,0,0,0|3,0,0]=4 540 B11R1.159 Cc1cccc(c1I)C(=O)[13CH3] 1458a_100000739377_200025704644 [0,1,0,0,0,0|3,0,0]=4 541 B11R1.159 Cc1cccc(c1O)C(=O)[13CH3] 1458a_100000183896_200025704644 [0,1,0,0,0,0|3,0,0]=4 542 B11R1.159 [13CH3]C(=O)c1cccc(c1Br)Br 1458a_100012360534_200025704644 [0,1,0,0,0,0|3,0,0]=4 543 B11R1.159 [13CH3]C(=O)c1cccc(c1Br)Cl 1458a_100012339722_200025704644 [0,1,0,0,0,0|3,0,0]=4 544 B11R1.159 [13CH3]C(=O)c1cccc(c1Br)F 1458a_100011217547_200025704644 [0,1,0,0,0,0|3,0,0]=4 545 B11R1.159 [13CH3]C(=O)c1cccc(c1Br)I 1458a_100010232522_200025704644 [0,1,0,0,0,0|3,0,0]=4 546 B11R1.159 [13CH3]C(=O)c1cccc(c1Br)O 1458a_100010230362_200025704644 [0,1,0,0,0,0|3,0,0]=4 547 B11R1.159 [13CH3]C(=O)c1cccc(c1Cl)Br 1458a_100000760540_200025704644 [0,1,0,0,0,0|3,0,0]=4 548 B11R1.159 [13CH3]C(=O)c1cccc(c1Cl)Cl 1458a_100000183631_200025704644 [0,1,0,0,0,0|3,0,0]=4 549 B11R1.159 [13CH3]C(=O)c1cccc(c1Cl)F 1458a_100000759904_200025704644 [0,1,0,0,0,0|3,0,0]=4 550 B11R1.159 [13CH3]C(=O)c1cccc(c1Cl)I 1458a_100010176783_200025704644 [0,1,0,0,0,0|3,0,0]=4 551 B11R1.159 [13CH3]C(=O)c1cccc(c1Cl)O 1458a_100000092362_200025704644 [0,1,0,0,0,0|3,0,0]=4 552 B11R1.159 [13CH3]C(=O)c1cccc(c1F)Br 1458a_100000756403_200025704644 [0,1,0,0,0,0|3,0,0]=4 553 B11R1.159 [13CH3]C(=O)c1cccc(c1F)Cl 1458a_100000688816_200025704644 [0,1,0,0,0,0|3,0,0]=4 554 B11R1.159 [13CH3]C(=O)c1cccc(c1F)F 1458a_100000748134_200025704644 [0,1,0,0,0,0|3,0,0]=4 555 B11R1.159 [13CH3]C(=O)c1cccc(c1F)I 1458a_100010185205_200025704644 [0,1,0,0,0,0|3,0,0]=4 556 B11R1.159 [13CH3]C(=O)c1cccc(c1F)O 1458a_100000037433_200025704644 [0,1,0,0,0,0|3,0,0]=4 557 B11R1.159 [13CH3]C(=O)c1cccc(c1I)Br 1458a_100000688019_200025704644 [0,1,0,0,0,0|3,0,0]=4 558 B11R1.159 [13CH3]C(=O)c1cccc(c1I)Cl 1458a_100010176784_200025704644 [0,1,0,0,0,0|3,0,0]=4 559 B11R1.159 [13CH3]C(=O)c1cccc(c1I)F 1458a_100000690930_200025704644 [0,1,0,0,0,0|3,0,0]=4 560 B11R1.159 [13CH3]C(=O)c1cccc(c1I)O 1458a_100010084636_200025704644 [0,1,0,0,0,0|3,0,0]=4 561 B11R1.159 [13CH3]C(=O)c1cccc(c1O)Br 1458a_100000752940_200025704644 [0,1,0,0,0,0|3,0,0]=4 562 B11R1.159 [13CH3]C(=O)c1cccc(c1O)Cl 1458a_100000742801_200025704644 [0,1,0,0,0,0|3,0,0]=4 563 B11R1.159 [13CH3]C(=O)c1cccc(c1O)F 1458a_100011217230_200025704644 [0,1,0,0,0,0|3,0,0]=4 564 B11R1.159 [13CH3]C(=O)c1cccc(c1O)O 1458a_100000690420_200025704644 [0,1,0,0,0,0|3,0,0]=4 565 B11R1.166 C=C(C)c1ccc(cc1C)Br 271570a_100000694244_100000701812 [0,1,0,0,0,0|3,0,0]=4 566 B11R1.166 C=C(C)c1ccc(cc1C)C 271570a_100000694244_100011217332 [0,1,0,0,0,0|3,0,0]=4 567 B11R1.166 C=C(C)c1ccc(cc1C)Cl 271570a_100000694244_100011219607 [0,1,0,0,0,0|3,0,0]=4 568 B11R1.166 C=C(C)c1ccc(cc1C)F 271570a_100000694244_100011205405 [0,1,0,0,0,0|3,0,0]=4 569 B11R1.166 C=C(C)c1ccc(cc1C)N 271570a_100000694244_100000210723 [0,1,0,0,0,0|3,0,0]=4 570 B11R1.166 C=C(C)c1ccc(cc1C)O 271570a_100000694244_100000729255 [0,1,0,0,0,0|3,0,0]=4 571 B11R1.166 C=C(C)c1ccc(nc1Br)N 271570a_100000694244_100010734177 [0,1,0,0,0,0|3,0,0]=4 572 B11R1.166 C=C(C)c1ccc(nc1C)C 271570a_100000694244_100009813853 [0,1,0,0,0,0|2,0,0]=3 573 B11R1.166 C=C(C)c1ccc(nc1C)Cl 271570a_100000694244_100000062408 [0,1,0,0,0,0|2,0,0]=3 574 B11R1.166 C=C(C)c1ccc(nc1C)F 271570a_100000694244_100000688911 [0,1,0,0,0,0|2,0,0]=3 575 B11R1.166 C=C(C)c1ccc(nc1C)N 271570a_100000694244_100000013003 [0,1,0,0,0,0|2,0,0]=3 576 B11R1.166 C=C(C)c1ccc(nc1C)O 271570a_100000694244_100000691680 [0,1,0,0,0,0|2,0,0]=3 577 B11R1.166 C=C(C)c1ccc(nc1Cl)Br 271570a_100000694244_100010246183 [0,1,0,0,0,0|3,0,0]=4 578 B11R1.166 C=C(C)c1ccc(nc1Cl)N 271570a_100000694244_100010270343 [0,1,0,0,0,0|3,0,0]=4 579 B11R1.166 C=C(C)c1ccc(nc1F)C 271570a_100000694244_100010006597 [0,1,0,0,0,0|3,0,0]=4 580 B11R1.166 C=C(C)c1ccc(nc1F)Cl 271570a_100000694244_100010168078 [0,1,0,0,0,0|3,0,0]=4 581 B11R1.166 C=C(C)c1ccc(nc1F)F 271570a_100000694244_100000070099 [0,1,0,0,0,0|3,0,0]=4 582 B11R1.166 C=C(C)c1ccc(nc1F)N 271570a_100000694244_100009882772 [0,1,0,0,0,0|3,0,0]=4 583 B11R1.166 C=C(C)c1ccc(nc1F)O 271570a_100000694244_100009879308 [0,1,0,0,0,0|3,0,0]=4 584 B11R1.166 C=C(C)c1ccc(nc1N)C 271570a_100000694244_100009816662 [0,1,0,0,0,0|3,0,0]=4 585 B11R1.166 C=C(C)c1ccc(nc1N)Cl 271570a_100000694244_100010171640 [0,1,0,0,0,0|3,0,0]=4 586 B11R1.166 C=C(C)c1ccc(nc1N)F 271570a_100000694244_100009854977 [0,1,0,0,0,0|3,0,0]=4 587 B11R1.166 C=C(C)c1ccc(nc1N)N 271570a_100000694244_100011356871 [0,1,0,0,0,0|3,0,0]=4 588 B11R1.166 C=C(C)c1ccc(nc1O)C 271570a_100000694244_100009817604 [0,1,0,0,0,0|3,0,0]=4 589 B11R1.166 C=C(C)c1cnc(nc1C)N 271570a_100000694244_100000725598 [0,1,0,0,0,0|3,0,0]=4 590 B11R1.166 C=C(C)c1n[nH]c(=O)cc1C 271570a_100000694244_100000081757 [0,1,0,0,0,0|3,0,0]=4 591 B11R1.166 C=C(C)c1ncc(cc1Br)Cl 271570a_100000694244_100012154958 [0,1,0,0,0,0|3,0,0]=4 592 B11R1.166 C=C(C)c1ncc(cc1C)Br 271570a_100000694244_100012353652 [0,1,0,0,0,0|2,0,0]=3 593 B11R1.166 C=C(C)c1ncc(cc1C)C 271570a_100000694244_100009864548 [0,1,0,0,0,0|2,0,0]=3 594 B11R1.166 C=C(C)c1ncc(cc1C)F 271570a_100000694244_100009817009 [0,1,0,0,0,0|2,0,0]=3 595 B11R1.166 C=C(C)c1ncc(cc1C)N 271570a_100000694244_100000761747 [0,1,0,0,0,0|2,0,0]=3 596 B11R1.166 C=C(C)c1ncc(cc1C)O 271570a_100000694244_100012000486 [0,1,0,0,0,0|2,0,0]=3 597 B11R1.166 C=C(C)c1ncc(cc1F)Br 271570a_100000694244_100012348576 [0,1,0,0,0,0|3,0,0]=4 598 B11R1.166 C=C(C)c1ncc(cc1F)C 271570a_100000694244_100009819633 [0,1,0,0,0,0|3,0,0]=4 599 B11R1.166 C=C(C)c1ncc(cc1F)Cl 271570a_100000694244_100012348686 [0,1,0,0,0,0|3,0,0]=4 600 B11R1.166 C=C(C)c1ncc(cc1F)F 271570a_100000694244_100011219543 [0,1,0,0,0,0|3,0,0]=4 601 B11R1.166 C=C(C)c1ncc(cc1F)N 271570a_100000694244_100010280766 [0,1,0,0,0,0|3,0,0]=4 602 B11R1.166 C=C(C)c1ncc(cc1F)O 271570a_100000694244_100000063512 [0,1,0,0,0,0|3,0,0]=4 603 B11R1.166 C=C(C)c1ncc(cc1N)Br 271570a_100000694244_100010090555 [0,1,0,0,0,0|3,0,0]=4 604 B11R1.166 C=C(C)c1ncc(cc1N)C 271570a_100000694244_100000733613 [0,1,0,0,0,0|3,0,0]=4 605 B11R1.166 C=C(C)c1ncc(cc1N)F 271570a_100000694244_100009817643 [0,1,0,0,0,0|3,0,0]=4 606 B11R1.166 C=C(C)c1ncc(cc1N)N 271570a_100000694244_200000093520 [0,1,0,0,0,0|3,0,0]=4 607 B11R1.166 C=C(C)c1ncc(cc1O)Br 271570a_100000694244_100010210634 [0,1,0,0,0,0|3,0,0]=4 608 B11R1.166 C=C(C)c1ncc(cc1O)C 271570a_100000694244_100012000487 [0,1,0,0,0,0|3,0,0]=4 609 B11R1.166 C=C(C)c1ncc(cc1O)Cl 271570a_100000694244_100010233512 [0,1,0,0,0,0|3,0,0]=4 610 B11R1.166 C=C(C)c1ncc(cc1O)F 271570a_100000694244_100000079967 [0,1,0,0,0,0|3,0,0]=4 611 B11R1.166 C=C(C)c1ncc(nc1C)C 271570a_100000694244_100000065684 [0,1,0,0,0,0|1,0,0]=2 612 B11R1.166 C=C(C)c1ncc(nc1C)N 271570a_100000694244_100009818570 [0,1,0,0,0,0|1,0,0]=2 613 B11R1.166 C=C(C)c1nnc(cc1C)N 271570a_100000694244_100000123434 [0,1,0,0,0,0|3,0,0]=4 614 B11R1.166 CC(=O)c1ccc(cc1Br)Br 1458a_100000762965_200000210301 [0,1,0,0,0,0|3,0,0]=4 615 B11R1.166 CC(=O)c1ccc(cc1Br)C 1458a_100000685072_200000210301 [0,1,0,0,0,0|3,0,0]=4 616 B11R1.166 CC(=O)c1ccc(cc1Br)Cl 1458a_100000766353_200000210301 [0,1,0,0,0,0|3,0,0]=4 617 B11R1.166 CC(=O)c1ccc(cc1Br)F 1458a_100000212304_200000210301 [0,1,0,0,0,0|3,0,0]=4 618 B11R1.166 CC(=O)c1ccc(cc1Br)I 1458a_100012360512_200000210301 [0,1,0,0,0,0|3,0,0]=4 619 B11R1.166 CC(=O)c1ccc(cc1Br)O 1458a_100012344906_200000210301 [0,1,0,0,0,0|3,0,0]=4 620 B11R1.166 CC(=O)c1ccc(cc1C)Br 1458a_100000741311_200000210301 [0,1,0,0,0,0|2,0,0]=3 621 B11R1.166 CC(=O)c1ccc(cc1C)C 1458a_100000211164_200000210301 [0,1,0,0,0,0|2,0,0]=3 622 B11R1.166 CC(=O)c1ccc(cc1C)Cl 1458a_100000688705_200000210301 [0,1,0,0,0,0|2,0,0]=3 623 B11R1.166 CC(=O)c1ccc(cc1C)F 1458a_100000686989_200000210301 [0,1,0,0,0,0|2,0,0]=3 624 B11R1.166 CC(=O)c1ccc(cc1C)I 1458a_100010189873_200000210301 [0,1,0,0,0,0|2,0,0]=3 625 B11R1.166 CC(=O)c1ccc(cc1C)O 1458a_100000692822_200000210301 [0,1,0,0,0,0|2,0,0]=3 626 B11R1.166 CC(=O)c1ccc(cc1C)O 271570a_203496583355_100012360112 [0,1,0,0,0,0|2,0,0]=3 627 B11R1.166 CC(=O)c1ccc(cc1Cl)Br 1458a_100000741628_200000210301 [0,1,0,0,0,0|3,0,0]=4 628 B11R1.166 CC(=O)c1ccc(cc1Cl)C 1458a_100000766932_200000210301 [0,1,0,0,0,0|3,0,0]=4 629 B11R1.166 CC(=O)c1ccc(cc1Cl)Cl 1458a_100000185840_200000210301 [0,1,0,0,0,0|3,0,0]=4 630 B11R1.166 CC(=O)c1ccc(cc1Cl)F 1458a_100000211397_200000210301 [0,1,0,0,0,0|3,0,0]=4 631 B11R1.166 CC(=O)c1ccc(cc1Cl)I 1458a_100000751301_200000210301 [0,1,0,0,0,0|3,0,0]=4 632 B11R1.166 CC(=O)c1ccc(cc1Cl)O 1458a_100000702456_200000210301 [0,1,0,0,0,0|3,0,0]=4 633 B11R1.166 CC(=O)c1ccc(cc1F)Br 1458a_100000214689_200000210301 [0,1,0,0,0,0|3,0,0]=4 634 B11R1.166 CC(=O)c1ccc(cc1F)C 1458a_100000766033_200000210301 [0,1,0,0,0,0|3,0,0]=4 635 B11R1.166 CC(=O)c1ccc(cc1F)Cl 1458a_100000212326_200000210301 [0,1,0,0,0,0|3,0,0]=4 636 B11R1.166 CC(=O)c1ccc(cc1F)F 1458a_100000211022_200000210301 [0,1,0,0,0,0|3,0,0]=4 637 B11R1.166 CC(=O)c1ccc(cc1F)I 1458a_100000037189_200000210301 [0,1,0,0,0,0|3,0,0]=4 638 B11R1.166 CC(=O)c1ccc(cc1F)O 1458a_100000689029_200000210301 [0,1,0,0,0,0|3,0,0]=4 639 B11R1.166 CC(=O)c1ccc(cc1F)O 271570a_203496583355_100000690205 [0,1,0,0,0,0|3,0,0]=4 640 B11R1.166 CC(=O)c1ccc(cc1I)Br 1458a_100000751167_200000210301 [0,1,0,0,0,0|3,0,0]=4 641 B11R1.166 CC(=O)c1ccc(cc1I)C 1458a_100009999607_200000210301 [0,1,0,0,0,0|3,0,0]=4 642 B11R1.166 CC(=O)c1ccc(cc1I)Cl 1458a_100000739380_200000210301 [0,1,0,0,0,0|3,0,0]=4 643 B11R1.166 CC(=O)c1ccc(cc1I)F 1458a_100000739341_200000210301 [0,1,0,0,0,0|3,0,0]=4 644 B11R1.166 CC(=O)c1ccc(cc1N)O 271570a_203496583355_100011590516 [0,1,0,0,0,0|3,0,0]=4 645 B11R1.166 CC(=O)c1ccc(cc1O)Br 1458a_100000744433_200000210301 [0,1,0,0,0,0|3,0,0]=4 646 B11R1.166 CC(=O)c1ccc(cc1O)C 1458a_100000212137_200000210301 [0,1,0,0,0,0|3,0,0]=4 647 B11R1.166 CC(=O)c1ccc(cc1O)C 271570a_203496583355_100012353930 [0,1,0,0,0,0|3,0,0]=4 648 B11R1.166 CC(=O)c1ccc(cc1O)Cl 1458a_100000188622_200000210301 [0,1,0,0,0,0|3,0,0]=4 649 B11R1.166 CC(=O)c1ccc(cc1O)F 1458a_100000746061_200000210301 [0,1,0,0,0,0|3,0,0]=4 650 B11R1.166 CC(=O)c1ccc(cc1O)F 271570a_203496583355_100000686192 [0,1,0,0,0,0|3,0,0]=4 651 B11R1.166 CC(=O)c1ccc(cc1O)I 1458a_100000091984_200000210301 [0,1,0,0,0,0|3,0,0]=4 652 B11R1.166 CC(=O)c1ccc(cc1O)O 1458a_100000212172_200000210301 [0,1,0,0,0,0|3,0,0]=4 653 B11R1.166 CC(=O)c1ccc(cc1O)O 271570a_203496583355_100000188348 [0,1,0,0,0,0|3,0,0]=4 654 B11R1.166 CC(=O)c1ccc(cc1O)O 271570a_203496583355_100012340537 [0,1,0,0,0,0|3,0,0]=4 655 B11R1.166 CC(=O)c1ncc(cc1F)O 271570a_203496583355_100000696590 [0,1,0,0,0,0|2,0,0]=3 656 B11R1.166 Cc1cc(ccc1C(=O)N)O 271570a_203496583355_100011327924 [0,1,0,0,0,0|3,0,0]=4 657 B11R1.166 Cc1cc(ccc1C(=O)[13CH3])Br 1458a_100000741311_200025704644 [0,1,0,0,0,0|2,0,0]=3 658 B11R1.166 Cc1cc(ccc1C(=O)[13CH3])Cl 1458a_100000688705_200025704644 [0,1,0,0,0,0|2,0,0]=3 659 B11R1.166 Cc1cc(ccc1C(=O)[13CH3])F 1458a_100000686989_200025704644 [0,1,0,0,0,0|2,0,0]=3 660 B11R1.166 Cc1cc(ccc1C(=O)[13CH3])I 1458a_100010189873_200025704644 [0,1,0,0,0,0|2,0,0]=3 661 B11R1.166 Cc1cc(ccc1C(=O)[13CH3])O 1458a_100000692822_200025704644 [0,1,0,0,0,0|2,0,0]=3 662 B11R1.166 Cc1ccc(c(c1)Br)C(=O)[13CH3] 1458a_100000685072_200025704644 [0,1,0,0,0,0|3,0,0]=4 663 B11R1.166 Cc1ccc(c(c1)C)C(=O)[13CH3] 1458a_100000211164_200025704644 [0,1,0,0,0,0|2,0,0]=3 664 B11R1.166 Cc1ccc(c(c1)Cl)C(=O)[13CH3] 1458a_100000766932_200025704644 [0,1,0,0,0,0|3,0,0]=4 665 B11R1.166 Cc1ccc(c(c1)F)C(=O)[13CH3] 1458a_100000766033_200025704644 [0,1,0,0,0,0|3,0,0]=4 666 B11R1.166 Cc1ccc(c(c1)I)C(=O)[13CH3] 1458a_100009999607_200025704644 [0,1,0,0,0,0|3,0,0]=4 667 B11R1.166 Cc1ccc(c(c1)O)C(=O)[13CH3] 1458a_100000212137_200025704644 [0,1,0,0,0,0|3,0,0]=4 668 B11R1.166 Cc1ccc(c(n1)O)C(=O)N 271570a_203496583355_100000041523 [0,1,0,0,0,0|3,0,0]=4 669 B11R1.166 Cc1cnc(c(n1)O)C(C)C 271570a_203496583355_100015629263 [0,1,0,0,0,0|2,0,1]=4 670 B11R1.166 NC(=O)c1ccc(nc1N)O 271570a_203496583355_100009875182 [0,1,0,0,0,0|3,0,0]=4 671 B11R1.166 NC(=O)c1ncc(cc1F)O 271570a_203496583355_200010161073 [0,1,0,0,0,0|3,0,0]=4 672 B11R1.166 NC(=O)c1ncc(cc1N)O 271570a_203496583355_100010235749 [0,1,0,0,0,0|3,0,0]=4 673 B11R1.166 [13CH3]C(=O)c1ccc(cc1Br)Br 1458a_100000762965_200025704644 [0,1,0,0,0,0|3,0,0]=4 674 B11R1.166 [13CH3]C(=O)c1ccc(cc1Br)Cl 1458a_100000766353_200025704644 [0,1,0,0,0,0|3,0,0]=4 675 B11R1.166 [13CH3]C(=O)c1ccc(cc1Br)F 1458a_100000212304_200025704644 [0,1,0,0,0,0|3,0,0]=4 676 B11R1.166 [13CH3]C(=O)c1ccc(cc1Br)I 1458a_100012360512_200025704644 [0,1,0,0,0,0|3,0,0]=4 677 B11R1.166 [13CH3]C(=O)c1ccc(cc1Br)O 1458a_100012344906_200025704644 [0,1,0,0,0,0|3,0,0]=4 678 B11R1.166 [13CH3]C(=O)c1ccc(cc1Cl)Br 1458a_100000741628_200025704644 [0,1,0,0,0,0|3,0,0]=4 679 B11R1.166 [13CH3]C(=O)c1ccc(cc1Cl)Cl 1458a_100000185840_200025704644 [0,1,0,0,0,0|3,0,0]=4 680 B11R1.166 [13CH3]C(=O)c1ccc(cc1Cl)F 1458a_100000211397_200025704644 [0,1,0,0,0,0|3,0,0]=4 681 B11R1.166 [13CH3]C(=O)c1ccc(cc1Cl)I 1458a_100000751301_200025704644 [0,1,0,0,0,0|3,0,0]=4 682 B11R1.166 [13CH3]C(=O)c1ccc(cc1Cl)O 1458a_100000702456_200025704644 [0,1,0,0,0,0|3,0,0]=4 683 B11R1.166 [13CH3]C(=O)c1ccc(cc1F)Br 1458a_100000214689_200025704644 [0,1,0,0,0,0|3,0,0]=4 684 B11R1.166 [13CH3]C(=O)c1ccc(cc1F)Cl 1458a_100000212326_200025704644 [0,1,0,0,0,0|3,0,0]=4 685 B11R1.166 [13CH3]C(=O)c1ccc(cc1F)F 1458a_100000211022_200025704644 [0,1,0,0,0,0|3,0,0]=4 686 B11R1.166 [13CH3]C(=O)c1ccc(cc1F)I 1458a_100000037189_200025704644 [0,1,0,0,0,0|3,0,0]=4 687 B11R1.166 [13CH3]C(=O)c1ccc(cc1F)O 1458a_100000689029_200025704644 [0,1,0,0,0,0|3,0,0]=4 688 B11R1.166 [13CH3]C(=O)c1ccc(cc1I)Br 1458a_100000751167_200025704644 [0,1,0,0,0,0|3,0,0]=4 689 B11R1.166 [13CH3]C(=O)c1ccc(cc1I)Cl 1458a_100000739380_200025704644 [0,1,0,0,0,0|3,0,0]=4 690 B11R1.166 [13CH3]C(=O)c1ccc(cc1I)F 1458a_100000739341_200025704644 [0,1,0,0,0,0|3,0,0]=4 691 B11R1.166 [13CH3]C(=O)c1ccc(cc1O)Br 1458a_100000744433_200025704644 [0,1,0,0,0,0|3,0,0]=4 692 B11R1.166 [13CH3]C(=O)c1ccc(cc1O)Cl 1458a_100000188622_200025704644 [0,1,0,0,0,0|3,0,0]=4 693 B11R1.166 [13CH3]C(=O)c1ccc(cc1O)F 1458a_100000746061_200025704644 [0,1,0,0,0,0|3,0,0]=4 694 B11R1.166 [13CH3]C(=O)c1ccc(cc1O)I 1458a_100000091984_200025704644 [0,1,0,0,0,0|3,0,0]=4 695 B11R1.166 [13CH3]C(=O)c1ccc(cc1O)O 1458a_100000212172_200025704644 [0,1,0,0,0,0|3,0,0]=4 696 B11R1.167 C=C(C)c1cc(ccc1C)Br 271570a_100000694244_100011344865 [0,1,0,0,0,0|3,0,0]=4 697 B11R1.167 C=C(C)c1cc(ccc1C)C 271570a_100000694244_100000210833 [0,1,0,0,0,0|3,0,0]=4 698 B11R1.167 C=C(C)c1cc(ccc1C)Cl 271570a_100000694244_100011263213 [0,1,0,0,0,0|3,0,0]=4 699 B11R1.167 C=C(C)c1cc(ccc1C)F 271570a_100000694244_100011218078 [0,1,0,0,0,0|3,0,0]=4 700 B11R1.167 C=C(C)c1cc(ccc1C)N 271570a_100000694244_100000736455 [0,1,0,0,0,0|3,0,0]=4 701 B11R1.167 C=C(C)c1cc(ccc1C)O 271570a_100000694244_100011380479 [0,1,0,0,0,0|3,0,0]=4 702 B11R1.167 C=C(C)c1cc(cnc1Br)N 271570a_100000694244_100010201102 [0,1,0,0,0,0|3,0,0]=4 703 B11R1.167 C=C(C)c1cc(cnc1C)Br 271570a_100000694244_200010090566 [0,1,0,0,0,0|2,0,0]=3 704 B11R1.167 C=C(C)c1cc(cnc1C)C 271570a_100000694244_100009817436 [0,1,0,0,0,0|2,0,0]=3 705 B11R1.167 C=C(C)c1cc(cnc1C)F 271570a_100000694244_100009860710 [0,1,0,0,0,0|2,0,0]=3 706 B11R1.167 C=C(C)c1cc(cnc1C)N 271570a_100000694244_100011998591 [0,1,0,0,0,0|2,0,0]=3 707 B11R1.167 C=C(C)c1cc(cnc1C)O 271570a_100000694244_100009819603 [0,1,0,0,0,0|2,0,0]=3 708 B11R1.167 C=C(C)c1cc(cnc1Cl)Br 271570a_100000694244_100009814771 [0,1,0,0,0,0|3,0,0]=4 709 B11R1.167 C=C(C)c1cc(cnc1Cl)C 271570a_100000694244_100010210167 [0,1,0,0,0,0|3,0,0]=4 710 B11R1.167 C=C(C)c1cc(cnc1Cl)Cl 271570a_100000694244_200000062399 [0,1,0,0,0,0|3,0,0]=4 711 B11R1.167 C=C(C)c1cc(cnc1Cl)N 271570a_100000694244_100010253917 [0,1,0,0,0,0|3,0,0]=4 712 B11R1.167 C=C(C)c1cc(cnc1F)Br 271570a_100000694244_100010172738 [0,1,0,0,0,0|3,0,0]=4 713 B11R1.167 C=C(C)c1cc(cnc1F)C 271570a_100000694244_100000049784 [0,1,0,0,0,0|3,0,0]=4 714 B11R1.167 C=C(C)c1cc(cnc1F)Cl 271570a_100000694244_100010188783 [0,1,0,0,0,0|3,0,0]=4 715 B11R1.167 C=C(C)c1cc(cnc1F)F 271570a_100000694244_100009820768 [0,1,0,0,0,0|3,0,0]=4 716 B11R1.167 C=C(C)c1cc(cnc1F)N 271570a_100000694244_100009840397 [0,1,0,0,0,0|3,0,0]=4 717 B11R1.167 C=C(C)c1cc(cnc1F)O 271570a_100000694244_100009817267 [0,1,0,0,0,0|3,0,0]=4 718 B11R1.167 C=C(C)c1cc(cnc1N)Br 271570a_100000694244_100000760472 [0,1,0,0,0,0|3,0,0]=4 719 B11R1.167 C=C(C)c1cc(cnc1N)C 271570a_100000694244_100000049664 [0,1,0,0,0,0|3,0,0]=4 720 B11R1.167 C=C(C)c1cc(cnc1N)Cl 271570a_100000694244_100000050159 [0,1,0,0,0,0|3,0,0]=4 721 B11R1.167 C=C(C)c1cc(cnc1N)F 271570a_100000694244_100009814671 [0,1,0,0,0,0|3,0,0]=4 722 B11R1.167 C=C(C)c1cc(cnc1N)N 271570a_100000694244_200011934315 [0,1,0,0,0,0|3,0,0]=4 723 B11R1.167 C=C(C)c1cc(cnc1O)Br 271570a_100000694244_100010197142 [0,1,0,0,0,0|3,0,0]=4 724 B11R1.167 C=C(C)c1cc(cnc1O)C 271570a_100000694244_100000049931 [0,1,0,0,0,0|3,0,0]=4 725 B11R1.167 C=C(C)c1cc(cnc1O)Cl 271570a_100000694244_100010188700 [0,1,0,0,0,0|3,0,0]=4 726 B11R1.167 C=C(C)c1nc(c[nH]c1=O)C 271570a_100000694244_100009858157 [0,1,0,0,0,0|2,0,1]=4 727 B11R1.167 C=C(C)c1nc(ccc1Br)N 271570a_100000694244_100010192275 [0,1,0,0,0,0|3,0,0]=4 728 B11R1.167 C=C(C)c1nc(ccc1C)C 271570a_100000694244_100009854376 [0,1,0,0,0,0|2,0,0]=3 729 B11R1.167 C=C(C)c1nc(ccc1C)N 271570a_100000694244_100000126722 [0,1,0,0,0,0|2,0,0]=3 730 B11R1.167 C=C(C)c1nc(ccc1F)C 271570a_100000694244_100009817602 [0,1,0,0,0,0|3,0,0]=4 731 B11R1.167 C=C(C)c1nc(ccc1F)Cl 271570a_100000694244_100010136221 [0,1,0,0,0,0|3,0,0]=4 732 B11R1.167 C=C(C)c1nc(ccc1F)F 271570a_100000694244_100010997973 [0,1,0,0,0,0|3,0,0]=4 733 B11R1.167 C=C(C)c1nc(ccc1F)N 271570a_100000694244_100010892222 [0,1,0,0,0,0|3,0,0]=4 734 B11R1.167 C=C(C)c1nc(ccc1N)Br 271570a_100000694244_100010168765 [0,1,0,0,0,0|3,0,0]=4 735 B11R1.167 C=C(C)c1nc(ccc1N)C 271570a_100000694244_100000685570 [0,1,0,0,0,0|3,0,0]=4 736 B11R1.167 C=C(C)c1nc(ccc1N)Cl 271570a_100000694244_100010233647 [0,1,0,0,0,0|3,0,0]=4 737 B11R1.167 C=C(C)c1nc(ccc1N)F 271570a_100000694244_100009879877 [0,1,0,0,0,0|3,0,0]=4 738 B11R1.167 C=C(C)c1nc(ccc1N)N 271570a_100000694244_200009884323 [0,1,0,0,0,0|3,0,0]=4 739 B11R1.167 C=C(C)c1nc(ccc1O)Br 271570a_100000694244_100010253912 [0,1,0,0,0,0|3,0,0]=4 740 B11R1.167 C=C(C)c1nc(ccc1O)C 271570a_100000694244_100000702858 [0,1,0,0,0,0|3,0,0]=4 741 B11R1.167 C=C(C)c1nc(ccc1O)Cl 271570a_100000694244_100000696390 [0,1,0,0,0,0|3,0,0]=4 742 B11R1.167 C=C(C)c1nc(ccc1O)F 271570a_100000694244_100010382442 [0,1,0,0,0,0|3,0,0]=4 743 B11R1.167 C=C(C)c1nc(cnc1C)C 271570a_100000694244_100000211308 [0,1,0,0,0,0|1,0,0]=2 744 B11R1.167 C=C(C)c1nc(cnc1C)N 271570a_100000694244_100009877824 [0,1,0,0,0,0|1,0,0]=2 745 B11R1.167 C=C(C)c1nc(cnc1N)Br 271570a_100000694244_100010988662 [0,1,0,0,0,0|2,0,0]=3 746 B11R1.167 C=C(C)c1nc(cnc1N)C 271570a_100000694244_100009819049 [0,1,0,0,0,0|2,0,0]=3 747 B11R1.167 C=C(C)c1nc(ncc1C)N 271570a_100000694244_100000016107 [0,1,0,0,0,0|3,0,0]=4 748 B11R1.167 CC(=O)C1=NC(=O)CC=C1Cl 1458a_100009855368_200000210301 [0,1,0,0,0,0|2,0,1]=4 749 B11R1.167 CC(=O)c1cc(ccc1Br)Br 1458a_100000690610_200000210301 [0,1,0,0,0,0|3,0,0]=4 750 B11R1.167 CC(=O)c1cc(ccc1Br)C 1458a_100000689033_200000210301 [0,1,0,0,0,0|3,0,0]=4 751 B11R1.167 CC(=O)c1cc(ccc1Br)Cl 1458a_100000736951_200000210301 [0,1,0,0,0,0|3,0,0]=4 752 B11R1.167 CC(=O)c1cc(ccc1Br)F 1458a_100000212315_200000210301 [0,1,0,0,0,0|3,0,0]=4 753 B11R1.167 CC(=O)c1cc(ccc1Br)I 1458a_100000698340_200000210301 [0,1,0,0,0,0|3,0,0]=4 754 B11R1.167 CC(=O)c1cc(ccc1Br)O 1458a_100012352043_200000210301 [0,1,0,0,0,0|3,0,0]=4 755 B11R1.167 CC(=O)c1cc(ccc1C)Br 1458a_100000759961_200000210301 [0,1,0,0,0,0|2,0,0]=3 756 B11R1.167 CC(=O)c1cc(ccc1C)C 1458a_100000195421_200000210301 [0,1,0,0,0,0|2,0,0]=3 757 B11R1.167 CC(=O)c1cc(ccc1C)Cl 1458a_100000692595_200000210301 [0,1,0,0,0,0|2,0,0]=3 758 B11R1.167 CC(=O)c1cc(ccc1C)F 1458a_100000240043_200000210301 [0,1,0,0,0,0|2,0,0]=3 759 B11R1.167 CC(=O)c1cc(ccc1C)I 1458a_100000688012_200000210301 [0,1,0,0,0,0|2,0,0]=3 760 B11R1.167 CC(=O)c1cc(ccc1C)O 1458a_100000687834_200000210301 [0,1,0,0,0,0|2,0,0]=3 761 B11R1.167 CC(=O)c1cc(ccc1C)O 271570a_203496583355_100012706819 [0,1,0,0,0,0|2,0,0]=3 762 B11R1.167 CC(=O)c1cc(ccc1Cl)Br 1458a_100000211212_200000210301 [0,1,0,0,0,0|3,0,0]=4 763 B11R1.167 CC(=O)c1cc(ccc1Cl)C 1458a_100011290873_200000210301 [0,1,0,0,0,0|3,0,0]=4 764 B11R1.167 CC(=O)c1cc(ccc1Cl)Cl 1458a_100000210642_200000210301 [0,1,0,0,0,0|3,0,0]=4 765 B11R1.167 CC(=O)c1cc(ccc1Cl)F 1458a_100011219680_200000210301 [0,1,0,0,0,0|3,0,0]=4 766 B11R1.167 CC(=O)c1cc(ccc1Cl)I 1458a_100000688013_200000210301 [0,1,0,0,0,0|3,0,0]=4 767 B11R1.167 CC(=O)c1cc(ccc1Cl)O 1458a_100000719527_200000210301 [0,1,0,0,0,0|3,0,0]=4 768 B11R1.167 CC(=O)c1cc(ccc1Cl)O 271570a_203496583355_100010712560 [0,1,0,0,0,0|3,0,0]=4 769 B11R1.167 CC(=O)c1cc(ccc1F)Br 1458a_100000212322_200000210301 [0,1,0,0,0,0|3,0,0]=4 770 B11R1.167 CC(=O)c1cc(ccc1F)C 1458a_100000749327_200000210301 [0,1,0,0,0,0|3,0,0]=4 771 B11R1.167 CC(=O)c1cc(ccc1F)Cl 1458a_100000214954_200000210301 [0,1,0,0,0,0|3,0,0]=4 772 B11R1.167 CC(=O)c1cc(ccc1F)F 1458a_100000198512_200000210301 [0,1,0,0,0,0|3,0,0]=4 773 B11R1.167 CC(=O)c1cc(ccc1F)I 1458a_100000688014_200000210301 [0,1,0,0,0,0|3,0,0]=4 774 B11R1.167 CC(=O)c1cc(ccc1F)O 1458a_100000037260_200000210301 [0,1,0,0,0,0|3,0,0]=4 775 B11R1.167 CC(=O)c1cc(ccc1F)O 271570a_203496583355_100000689017 [0,1,0,0,0,0|3,0,0]=4 776 B11R1.167 CC(=O)c1cc(ccc1I)Br 1458a_100000183945_200000210301 [0,1,0,0,0,0|3,0,0]=4 777 B11R1.167 CC(=O)c1cc(ccc1I)C 1458a_100000057929_200000210301 [0,1,0,0,0,0|3,0,0]=4 778 B11R1.167 CC(=O)c1cc(ccc1I)Cl 1458a_100000739379_200000210301 [0,1,0,0,0,0|3,0,0]=4 779 B11R1.167 CC(=O)c1cc(ccc1I)F 1458a_100000748905_200000210301 [0,1,0,0,0,0|3,0,0]=4 780 B11R1.167 CC(=O)c1cc(ccc1I)I 1458a_100000750460_200000210301 [0,1,0,0,0,0|3,0,0]=4 781 B11R1.167 CC(=O)c1cc(ccc1I)O 1458a_200009995701_200000210301 [0,1,0,0,0,0|3,0,0]=4 782 B11R1.167 CC(=O)c1cc(ccc1N)O 271570a_203496583355_100000695420 [0,1,0,0,0,0|3,0,0]=4 783 B11R1.167 CC(=O)c1cc(ccc1O)Br 1458a_100000212140_200000210301 [0,1,0,0,0,0|3,0,0]=4 784 B11R1.167 CC(=O)c1cc(ccc1O)Br 271570a_203496583355_100012349576 [0,1,0,0,0,0|3,0,0]=4 785 B11R1.167 CC(=O)c1cc(ccc1O)C 1458a_100000229998_200000210301 [0,1,0,0,0,0|3,0,0]=4 786 B11R1.167 CC(=O)c1cc(ccc1O)C 271570a_203496583355_100012361225 [0,1,0,0,0,0|3,0,0]=4 787 B11R1.167 CC(=O)c1cc(ccc1O)Cl 1458a_100000212143_200000210301 [0,1,0,0,0,0|3,0,0]=4 788 B11R1.167 CC(=O)c1cc(ccc1O)F 1458a_100000742286_200000210301 [0,1,0,0,0,0|3,0,0]=4 789 B11R1.167 CC(=O)c1cc(ccc1O)F 271570a_203496583355_100012353695 [0,1,0,0,0,0|3,0,0]=4 790 B11R1.167 CC(=O)c1cc(ccc1O)I 1458a_100000212111_200000210301 [0,1,0,0,0,0|3,0,0]=4 791 B11R1.167 CC(=O)c1cc(ccc1O)N 271570a_203496583355_100012349454 [0,1,0,0,0,0|3,0,0]=4 792 B11R1.167 CC(=O)c1cc(ccc1O)O 1458a_100000758025_200000210301 [0,1,0,0,0,0|3,0,0]=4 793 B11R1.167 CC(=O)c1cc(ccc1O)O 271570a_203496583355_100000212127 [0,1,0,0,0,0|3,0,0]=4 794 B11R1.167 CC(=O)c1cc(cnc1C)O 271570a_203496583355_100138557192 [0,1,0,0,0,0|1,0,0]=2 795 B11R1.167 CC(=O)c1cc(cnc1F)O 271570a_203496583355_100010254234 [0,1,0,0,0,0|2,0,0]=3 796 B11R1.167 CC(=O)c1cc(cnc1N)O 271570a_203496583355_100010173950 [0,1,0,0,0,0|2,0,0]=3 797 B11R1.167 CC(=O)c1cc(cnc1O)F 271570a_203496583355_100000118324 [0,1,0,0,0,0|2,0,0]=3 798 B11R1.167 CC(=O)c1nc(ccc1F)O 271570a_203496583355_100009887703 [0,1,0,0,0,0|2,0,0]=3 799 B11R1.167 CC(=O)c1nc(ncc1C)O 271570a_203496583355_100010687370 [0,1,0,0,0,0|2,0,0]=3 800 B11R1.167 CN(C)c1nc(cnc1N)O 271570a_203496583355_200010196045 [0,1,0,0,0,0|3,0,0]=4 801 B11R1.167 Cc1ccc(c(c1)C(=O)[13CH3])Br 1458a_100000689033_200025704644 [0,1,0,0,0,0|3,0,0]=4 802 B11R1.167 Cc1ccc(c(c1)C(=O)[13CH3])C 1458a_100000195421_200025704644 [0,1,0,0,0,0|2,0,0]=3 803 B11R1.167 Cc1ccc(c(c1)C(=O)[13CH3])Cl 1458a_100011290873_200025704644 [0,1,0,0,0,0|3,0,0]=4 804 B11R1.167 Cc1ccc(c(c1)C(=O)[13CH3])F 1458a_100000749327_200025704644 [0,1,0,0,0,0|3,0,0]=4 805 B11R1.167 Cc1ccc(c(c1)C(=O)[13CH3])I 1458a_100000057929_200025704644 [0,1,0,0,0,0|3,0,0]=4 806 B11R1.167 Cc1ccc(c(c1)C(=O)[13CH3])O 1458a_100000229998_200025704644 [0,1,0,0,0,0|3,0,0]=4 807 B11R1.167 Cc1ccc(cc1C(=O)N)O 271570a_203496583355_100012257281 [0,1,0,0,0,0|3,0,0]=4 808 B11R1.167 Cc1ccc(cc1C(=O)[13CH3])Br 1458a_100000759961_200025704644 [0,1,0,0,0,0|2,0,0]=3 809 B11R1.167 Cc1ccc(cc1C(=O)[13CH3])Cl 1458a_100000692595_200025704644 [0,1,0,0,0,0|2,0,0]=3 810 B11R1.167 Cc1ccc(cc1C(=O)[13CH3])F 1458a_100000240043_200025704644 [0,1,0,0,0,0|2,0,0]=3 811 B11R1.167 Cc1ccc(cc1C(=O)[13CH3])I 1458a_100000688012_200025704644 [0,1,0,0,0,0|2,0,0]=3 812 B11R1.167 Cc1ccc(cc1C(=O)[13CH3])O 1458a_100000687834_200025704644 [0,1,0,0,0,0|2,0,0]=3 813 B11R1.167 Cc1cnc(c(n1)N(C)C)C 27a_100102631434_100000211308 [0,1,0,0,0,0|2,0,0]=3 814 B11R1.167 NC(=O)c1cc(cnc1N)O 271570a_203496583355_100000701294 [0,1,0,0,0,0|3,0,0]=4 815 B11R1.167 NC(=O)c1cc(cnc1O)F 271570a_203496583355_100012183597 [0,1,0,0,0,0|3,0,0]=4 816 B11R1.167 NC(=O)c1nc(ccc1N)O 271570a_203496583355_100000093116 [0,1,0,0,0,0|3,0,0]=4 817 B11R1.167 NC(=O)c1nc(cnc1N)O 271570a_203496583355_100010179960 [0,1,0,0,0,0|2,0,0]=3 818 B11R1.167 NC(=O)c1nc(cnc1O)O 271570a_203496583355_100010272261 [0,1,0,0,0,0|2,0,0]=3 819 B11R1.167 [13CH3]C(=O)C1=NC(=O)CC=C1Cl 1458a_100009855368_200025704644 [0,1,0,0,0,0|2,0,1]=4 820 B11R1.167 [13CH3]C(=O)c1cc(ccc1Br)Br 1458a_100000690610_200025704644 [0,1,0,0,0,0|3,0,0]=4 821 B11R1.167 [13CH3]C(=O)c1cc(ccc1Br)Cl 1458a_100000736951_200025704644 [0,1,0,0,0,0|3,0,0]=4 822 B11R1.167 [13CH3]C(=O)c1cc(ccc1Br)F 1458a_100000212315_200025704644 [0,1,0,0,0,0|3,0,0]=4 823 B11R1.167 [13CH3]C(=O)c1cc(ccc1Br)I 1458a_100000698340_200025704644 [0,1,0,0,0,0|3,0,0]=4 824 B11R1.167 [13CH3]C(=O)c1cc(ccc1Br)O 1458a_100012352043_200025704644 [0,1,0,0,0,0|3,0,0]=4 825 B11R1.167 [13CH3]C(=O)c1cc(ccc1Cl)Br 1458a_100000211212_200025704644 [0,1,0,0,0,0|3,0,0]=4 826 B11R1.167 [13CH3]C(=O)c1cc(ccc1Cl)Cl 1458a_100000210642_200025704644 [0,1,0,0,0,0|3,0,0]=4 827 B11R1.167 [13CH3]C(=O)c1cc(ccc1Cl)F 1458a_100011219680_200025704644 [0,1,0,0,0,0|3,0,0]=4 828 B11R1.167 [13CH3]C(=O)c1cc(ccc1Cl)I 1458a_100000688013_200025704644 [0,1,0,0,0,0|3,0,0]=4 829 B11R1.167 [13CH3]C(=O)c1cc(ccc1Cl)O 1458a_100000719527_200025704644 [0,1,0,0,0,0|3,0,0]=4 830 B11R1.167 [13CH3]C(=O)c1cc(ccc1F)Br 1458a_100000212322_200025704644 [0,1,0,0,0,0|3,0,0]=4 831 B11R1.167 [13CH3]C(=O)c1cc(ccc1F)Cl 1458a_100000214954_200025704644 [0,1,0,0,0,0|3,0,0]=4 832 B11R1.167 [13CH3]C(=O)c1cc(ccc1F)F 1458a_100000198512_200025704644 [0,1,0,0,0,0|3,0,0]=4 833 B11R1.167 [13CH3]C(=O)c1cc(ccc1F)I 1458a_100000688014_200025704644 [0,1,0,0,0,0|3,0,0]=4 834 B11R1.167 [13CH3]C(=O)c1cc(ccc1F)O 1458a_100000037260_200025704644 [0,1,0,0,0,0|3,0,0]=4 835 B11R1.167 [13CH3]C(=O)c1cc(ccc1I)Br 1458a_100000183945_200025704644 [0,1,0,0,0,0|3,0,0]=4 836 B11R1.167 [13CH3]C(=O)c1cc(ccc1I)Cl 1458a_100000739379_200025704644 [0,1,0,0,0,0|3,0,0]=4 837 B11R1.167 [13CH3]C(=O)c1cc(ccc1I)F 1458a_100000748905_200025704644 [0,1,0,0,0,0|3,0,0]=4 838 B11R1.167 [13CH3]C(=O)c1cc(ccc1I)I 1458a_100000750460_200025704644 [0,1,0,0,0,0|3,0,0]=4 839 B11R1.167 [13CH3]C(=O)c1cc(ccc1I)O 1458a_200009995701_200025704644 [0,1,0,0,0,0|3,0,0]=4 840 B11R1.167 [13CH3]C(=O)c1cc(ccc1O)Br 1458a_100000212140_200025704644 [0,1,0,0,0,0|3,0,0]=4 841 B11R1.167 [13CH3]C(=O)c1cc(ccc1O)Cl 1458a_100000212143_200025704644 [0,1,0,0,0,0|3,0,0]=4 842 B11R1.167 [13CH3]C(=O)c1cc(ccc1O)F 1458a_100000742286_200025704644 [0,1,0,0,0,0|3,0,0]=4 843 B11R1.167 [13CH3]C(=O)c1cc(ccc1O)I 1458a_100000212111_200025704644 [0,1,0,0,0,0|3,0,0]=4 844 B11R1.167 [13CH3]C(=O)c1cc(ccc1O)O 1458a_100000758025_200025704644 [0,1,0,0,0,0|3,0,0]=4 845 B11R1.222 CCC(=O)c1ccccc1Br 1458a_100000188424_100000210202 [0,1,0,0,0,0|3,0,0]=4 846 B11R1.222 CCC(=O)c1ccccc1C 1458a_100000212026_100000210202 [0,1,0,0,0,0|2,0,0]=3 847 B11R1.222 CCC(=O)c1ccccc1Cl 1458a_100000185844_100000210202 [0,1,0,0,0,0|3,0,0]=4 848 B11R1.222 CCC(=O)c1ccccc1F 1458a_100000188656_100000210202 [0,1,0,0,0,0|3,0,0]=4 849 B11R1.222 CCC(=O)c1ccccc1I 1458a_100000187884_100000210202 [0,1,0,0,0,0|3,0,0]=4 850 B11R1.222 CCC(=O)c1ccccc1O 1458a_100015234032_100000210202 [0,1,0,0,0,0|3,0,0]=4 851 B11R1.222 CCC(=O)c1ccccc1[O-] 1458a_100009911694_100000210202 [0,1,0,0,0,0|3,0,0]=4 852 B11R1.222 CNC(=O)c1ccccc1Br 11a_106832991635_100000188424 [0,1,0,0,0,0|3,0,0]=4 853 B11R1.222 CNC(=O)c1ccccc1Br 1626a_100102657272_100000188424 [0,1,0,0,0,0|3,0,0]=4 854 B11R1.222 CNC(=O)c1ccccc1Br 240690a_100102657272_100000188424 [0,1,0,0,0,0|3,0,0]=4 855 B11R1.222 CNC(=O)c1ccccc1Br 527a_100102657272_100000188424 [0,1,0,0,0,0|3,0,0]=4 856 B11R1.222 CNC(=O)c1ccccc1C 11a_106832991635_100000212026 [0,1,0,0,0,0|2,0,0]=3 857 B11R1.222 CNC(=O)c1ccccc1C 1626a_100102657272_100000212026 [0,1,0,0,0,0|2,0,0]=3 858 B11R1.222 CNC(=O)c1ccccc1C 240690a_100102657272_100000212026 [0,1,0,0,0,0|2,0,0]=3 859 B11R1.222 CNC(=O)c1ccccc1C 527a_100102657272_100000212026 [0,1,0,0,0,0|2,0,0]=3 860 B11R1.222 CNC(=O)c1ccccc1Cl 11a_106832991635_100000185844 [0,1,0,0,0,0|3,0,0]=4 861 B11R1.222 CNC(=O)c1ccccc1Cl 1626a_100102657272_100000185844 [0,1,0,0,0,0|3,0,0]=4 862 B11R1.222 CNC(=O)c1ccccc1Cl 240690a_100102657272_100000185844 [0,1,0,0,0,0|3,0,0]=4 863 B11R1.222 CNC(=O)c1ccccc1Cl 527a_100102657272_100000185844 [0,1,0,0,0,0|3,0,0]=4 864 B11R1.222 CNC(=O)c1ccccc1F 11a_106832991635_100000188656 [0,1,0,0,0,0|3,0,0]=4 865 B11R1.222 CNC(=O)c1ccccc1F 1626a_100102657272_100000188656 [0,1,0,0,0,0|3,0,0]=4 866 B11R1.222 CNC(=O)c1ccccc1F 240690a_100102657272_100000188656 [0,1,0,0,0,0|3,0,0]=4 867 B11R1.222 CNC(=O)c1ccccc1F 527a_100102657272_100000188656 [0,1,0,0,0,0|3,0,0]=4 868 B11R1.222 CNC(=O)c1ccccc1I 11a_106832991635_100000187884 [0,1,0,0,0,0|3,0,0]=4 869 B11R1.222 CNC(=O)c1ccccc1I 1626a_100102657272_100000187884 [0,1,0,0,0,0|3,0,0]=4 870 B11R1.222 CNC(=O)c1ccccc1I 240690a_100102657272_100000187884 [0,1,0,0,0,0|3,0,0]=4 871 B11R1.222 CNC(=O)c1ccccc1I 527a_100102657272_100000187884 [0,1,0,0,0,0|3,0,0]=4 872 B11R1.222 CNC(=O)c1ccccc1O 240690a_100102657272_100015234032 [0,1,0,0,0,0|3,0,0]=4 873 B11R1.222 CNC(=O)c1ccccc1O 271570a_203496583355_100000155073 [0,1,0,0,0,0|3,0,0]=4 874 B11R1.222 CNC(=O)c1ccccc1[O-] 1626a_100102657272_100009911694 [0,1,0,0,0,0|3,0,0]=4 875 B11R1.222 CNC(=O)c1ccccc1[O-] 240690a_100102657272_100009911694 [0,1,0,0,0,0|3,0,0]=4 876 B11R1.222 CNC(=O)c1ccccc1[O-] 527a_100102657272_100009911694 [0,1,0,0,0,0|3,0,0]=4 877 B11R1.222 CNC(=O)c1cccnc1O 271570a_203496583355_100000159833 [0,1,0,0,0,0|2,0,0]=3 878 B11R1.222 CNC(C)c1cccnc1C 269862a_106832991636_100011995960 [0,1,0,0,0,0|2,0,1]=4 879 B11R1.222 CNC(C)c1ncccc1C 2230a_100011536111_200000210301 [0,1,0,0,0,0|2,0,1]=4 880 B11R1.222 CNC(C)c1ncccc1C 269862a_106832991636_100011536074 [0,1,0,0,0,0|2,0,1]=4 881 B11R1.222 CNC(C)c1nccnc1C 269862a_106832991636_100000702048 [0,1,0,0,0,0|1,0,1]=3 882 B11R1.222 CNC(C)c1nccnc1Cl 269862a_106832991636_100000099859 [0,1,0,0,0,0|2,0,1]=4 883 B11R1.222 COC(=O)c1ccccc1O 271570a_203496583355_100000148710 [0,1,0,0,0,0|3,0,0]=4 884 B11R1.222 COC(=O)c1cccnc1O 271570a_203496583355_100000150852 [0,1,0,0,0,0|2,0,0]=3 885 B11R1.222 COC(=O)c1cncnc1O 271570a_203496583355_100000726419 [0,1,0,0,0,0|3,0,0]=4 886 B11R1.222 COC(=O)c1ncccc1O 271570a_203496583355_100011935214 [0,1,0,0,0,0|2,0,0]=3 887 B11R1.222 COC(=O)c1nccnc1O 271570a_203496583355_100000688410 [0,1,0,0,0,0|1,0,0]=2 888 B11R1.222 COC(=O)c1ncncc1O 271570a_203496583355_100012360100 [0,1,0,0,0,0|3,0,0]=4 889 B11R1.222 Cc1ccccc1C(=O)CF 1458a_100000212026_100015361967 [0,1,0,0,0,0|2,0,0]=3 890 B11R1.222 Cc1cccnc1C(C)N[13CH3] 2230a_100011536111_200025704644 [0,1,0,0,0,0|2,0,1]=4 891 B11R1.222 O=C(CF)c1ccccc1Br 1458a_100000188424_100015361967 [0,1,0,0,0,0|3,0,0]=4 892 B11R1.222 O=C(CF)c1ccccc1Cl 1458a_100000185844_100015361967 [0,1,0,0,0,0|3,0,0]=4 893 B11R1.222 O=C(CF)c1ccccc1F 1458a_100000188656_100015361967 [0,1,0,0,0,0|3,0,0]=4 894 B11R1.222 O=C(CF)c1ccccc1I 1458a_100000187884_100015361967 [0,1,0,0,0,0|3,0,0]=4 895 B11R1.222 O=C(CF)c1ccccc1O 1458a_100015234032_100015361967 [0,1,0,0,0,0|3,0,0]=4 896 B11R1.222 O=C(CF)c1ccccc1[O-] 1458a_100009911694_100015361967 [0,1,0,0,0,0|3,0,0]=4 897 B9R0.2 CCC/C=C/C=CC(=O)C 1458a_200016258893_200000210301 [0,0,1,0,0,0|2,0,1]=4 898 B9R0.2 CCC/C=C/C=CC(=O)[13CH3] 1458a_200016258893_200025704644 [0,0,1,0,0,0|2,0,1]=4 899 B9R0.2 CCC=CC=NNC(=O)C 4a_100000189765_100011216943 [0,0,1,0,0,0|2,0,1]=4 900 B11R2.1 Oc1csc2c1nccn2 271570a_203496583355_100010174841 [0,0,0,1,0,0|1,0,2]=4 901 B11R2.1 Oc1n[nH]c2c1nccn2 271570a_203496583355_100009819591 [0,0,0,1,0,0|2,0,1]=4 902 B11R2.55 Cc1cccnc1C2CC2 271570a_100011220607_100000751373 [0,0,0,1,0,0|2,0,1]=4 903 B11R2.55 Cc1ncccc1C2CC2 271570a_100011220607_100000751574 [0,0,0,1,0,0|2,0,1]=4 904 B11R2.55 Cc1nccnc1C2CC2 271570a_100011220607_100011999405 [0,0,0,1,0,0|1,0,1]=3 905 B11R2.55 Fc1nccnc1C2CC2 271570a_100011220607_200010125657 [0,0,0,1,0,0|2,0,1]=4 906 B11R2.55 Nc1nccnc1C2CC2 271570a_100011220607_100000747729 [0,0,0,1,0,0|2,0,1]=4 907 B9R1.41 C=C(C)c1[nH]cnc1Cl 271570a_100000694244_100010200774 [0,0,0,0,1,0|2,0,1]=4 908 B9R1.41 C=C(C)c1c[nH]nc1Br 271570a_100000694244_100011012988 [0,0,0,0,1,0|3,0,0]=4 909 B9R1.41 C=C(C)c1c[nH]nc1C 271570a_100000694244_100011912673 [0,0,0,0,1,0|2,0,0]=3 910 B9R1.41 C=C(C)c1c[nH]nc1F 271570a_100000694244_100015597042 [0,0,0,0,1,0|3,0,0]=4 911 B9R1.41 C=C(C)c1c[nH]nc1N 271570a_100000694244_100000717100 [0,0,0,0,1,0|3,0,0]=4 912 B9R1.41 C=C(C)c1ccnn1C 271570a_100000694244_100000688441 [0,0,0,0,1,0|2,0,0]=3 913 B9R1.41 C=C(C)c1ccsc1C 271570a_100000694244_100000684487 [0,0,0,0,1,0|2,0,0]=3 914 B9R1.41 C=C(C)c1cnoc1C 271570a_100000694244_100009872056 [0,0,0,0,1,0|3,0,0]=4 915 B9R1.41 C=C(C)c1conc1N 271570a_100000694244_100012597345 [0,0,0,0,1,0|3,0,0]=4 916 B9R1.41 C=C(C)c1cscc1C 271570a_100000694244_100000759966 [0,0,0,0,1,0|3,0,0]=4 917 B9R1.41 C=C(C)c1n[nH]cc1Br 271570a_100000694244_100015839836 [0,0,0,0,1,0|3,0,0]=4 918 B9R1.41 C=C(C)c1n[nH]cc1C 271570a_100000694244_100009871783 [0,0,0,0,1,0|2,0,0]=3 919 B9R1.41 C=C(C)c1n[nH]cc1N 271570a_100000694244_100010894806 [0,0,0,0,1,0|3,0,0]=4 920 B9R1.41 C=C(C)c1nc[nH]c1C 271570a_100000694244_100009816806 [0,0,0,0,1,0|1,0,1]=3 921 B9R1.41 C=C(C)c1nccn1C 271570a_100000694244_100000707724 [0,0,0,0,1,0|2,0,0]=3 922 B9R1.41 C=C(C)c1ncnn1C 271570a_100000694244_100000732653 [0,0,0,0,1,0|2,0,0]=3 923 B9R1.41 C=C(C)c1ncsc1C 271570a_100000694244_100000732656 [0,0,0,0,1,0|2,0,0]=3 924 B9R1.41 C=C(C)c1sccc1Br 271570a_100000694244_100012361411 [0,0,0,0,1,0|3,0,0]=4 925 B9R1.41 C=C(C)c1sccc1C 271570a_100000694244_100000742657 [0,0,0,0,1,0|2,0,0]=3 926 B9R1.41 C=C(C)c1scnc1C 271570a_100000694244_100009817116 [0,0,0,0,1,0|2,0,0]=3 927 B9R1.41 CC(=O)c1sccc1O 271570a_203496583355_100000738688 [0,0,0,0,1,0|2,0,0]=3 928 B9R1.41 CC(=O)c1scnc1O 271570a_203496583355_200010339033 [0,0,0,0,1,0|2,0,0]=3 929 B9R1.41 CN(C)c1ncnn1C 27a_100102631434_100000732653 [0,0,0,0,1,0|3,0,0]=4 930 B11R1.86 CC(=Cc1ccccc1C)C 271570a_100102525489_100000210755 [0,0,0,0,0,1|3,0,0]=4 931 B11R1.86 CC(=Cc1cccnc1Br)C 271570a_100102525489_100010202626 [0,0,0,0,0,1|3,0,0]=4 932 B11R1.86 CC(=Cc1cccnc1C)C 271570a_100102525489_100000751574 [0,0,0,0,0,1|2,0,0]=3 933 B11R1.86 CC(=Cc1cccnc1Cl)C 271570a_100102525489_100000036424 [0,0,0,0,0,1|3,0,0]=4 934 B11R1.86 CC(=Cc1cccnc1F)C 271570a_100102525489_100009816115 [0,0,0,0,0,1|3,0,0]=4 935 B11R1.86 CC(=Cc1cccnc1N)C 271570a_100102525489_100000045569 [0,0,0,0,0,1|3,0,0]=4 936 B11R1.86 CC(=Cc1cncnc1C)C 271570a_100102525489_100009819671 [0,0,0,0,0,1|3,0,0]=4 937 B11R1.86 CC(=Cc1ncc[nH]c1=O)C 271570a_100102525489_100000763361 [0,0,0,0,0,1|2,0,1]=4 938 B11R1.86 CC(=Cc1ncccc1Br)C 271570a_100102525489_100000696092 [0,0,0,0,0,1|3,0,0]=4 939 B11R1.86 CC(=Cc1ncccc1C)C 271570a_100102525489_100000751373 [0,0,0,0,0,1|2,0,0]=3 940 B11R1.86 CC(=Cc1ncccc1Cl)C 271570a_100102525489_100011356963 [0,0,0,0,0,1|3,0,0]=4 941 B11R1.86 CC(=Cc1ncccc1F)C 271570a_100102525489_100000685392 [0,0,0,0,0,1|3,0,0]=4 942 B11R1.86 CC(=Cc1ncccc1N)C 271570a_100102525489_100000688686 [0,0,0,0,0,1|3,0,0]=4 943 B11R1.86 CC(=Cc1ncccc1O)C 271570a_100102525489_100000034122 [0,0,0,0,0,1|3,0,0]=4 944 B11R1.86 CC(=Cc1nccnc1C)C 271570a_100102525489_100011999405 [0,0,0,0,0,1|1,0,0]=2 945 B11R1.86 CC(=Cc1nccnc1F)C 271570a_100102525489_200010125657 [0,0,0,0,0,1|2,0,0]=3 946 B11R1.86 CC(=Cc1nccnc1N)C 271570a_100102525489_100000747729 [0,0,0,0,0,1|2,0,0]=3 947 B11R1.86 CC(=Cc1ncncc1C)C 271570a_100102525489_100011998708 [0,0,0,0,0,1|3,0,0]=4 948 B11R1.86 CC(=Cc1nnccc1C)C 271570a_100102525489_100000089043 [0,0,0,0,0,1|3,0,0]=4 949 B11R1.86 CC(=O)Cc1ccccc1Br 1458a_100000070787_100000184730 [0,0,0,0,0,1|3,0,0]=4 950 B11R1.86 CC(=O)Cc1ccccc1Br 1458a_100000751119_200000210301 [0,0,0,0,0,1|3,0,0]=4 951 B11R1.86 CC(=O)Cc1ccccc1C 1458a_100000070787_100000211839 [0,0,0,0,0,1|2,0,0]=3 952 B11R1.86 CC(=O)Cc1ccccc1C 1458a_100000212180_200000210301 [0,0,0,0,0,1|2,0,0]=3 953 B11R1.86 CC(=O)Cc1ccccc1Cl 1458a_100000070787_100000187162 [0,0,0,0,0,1|3,0,0]=4 954 B11R1.86 CC(=O)Cc1ccccc1Cl 1458a_100000183793_200000210301 [0,0,0,0,0,1|3,0,0]=4 955 B11R1.86 CC(=O)Cc1ccccc1F 1458a_100000070787_100000187165 [0,0,0,0,0,1|3,0,0]=4 956 B11R1.86 CC(=O)Cc1ccccc1F 1458a_100000212012_200000210301 [0,0,0,0,0,1|3,0,0]=4 957 B11R1.86 CC(=O)Cc1ccccc1I 1458a_100000036491_200000210301 [0,0,0,0,0,1|3,0,0]=4 958 B11R1.86 CC(=O)Cc1ccccc1I 1458a_100000070787_100011216222 [0,0,0,0,0,1|3,0,0]=4 959 B11R1.86 CC(=O)Cc1ccccc1O 1458a_100000743006_200000210301 [0,0,0,0,0,1|3,0,0]=4 960 B11R1.86 CC(=O)Cc1ccccc1O 271570a_203496583355_100011350739 [0,0,0,0,0,1|3,0,0]=4 961 B11R1.86 CC(=O)Cc1cccnc1Br 1458a_100000070787_100010140945 [0,0,0,0,0,1|2,0,0]=3 962 B11R1.86 CC(=O)Cc1cccnc1C 1458a_100000070787_100000732876 [0,0,0,0,0,1|1,0,0]=2 963 B11R1.86 CC(=O)Cc1cccnc1Cl 1458a_100000070787_100000045678 [0,0,0,0,0,1|2,0,0]=3 964 B11R1.86 CC(=O)Cc1cccnc1Cl 1458a_100000093521_200000210301 [0,0,0,0,0,1|2,0,0]=3 965 B11R1.86 CC(=O)Cc1cccnc1F 1458a_100000070787_100000099810 [0,0,0,0,0,1|2,0,0]=3 966 B11R1.86 CC(=O)Cc1ccncc1C 1458a_100000070787_100020672808 [0,0,0,0,0,1|3,0,0]=4 967 B11R1.86 CC(=O)Cc1cnccc1C 1458a_100000070787_100000690890 [0,0,0,0,0,1|3,0,0]=4 968 B11R1.86 CC(=O)Cc1ncccc1Br 1458a_100000070787_100025702911 [0,0,0,0,0,1|2,0,0]=3 969 B11R1.86 CC(=O)Cc1ncccc1Br 1458a_200012357574_200000210301 [0,0,0,0,0,1|2,0,0]=3 970 B11R1.86 CC(=O)Cc1ncccc1C 1458a_100000070787_100000696600 [0,0,0,0,0,1|1,0,0]=2 971 B11R1.86 CC(=O)Cc1ncccc1C 1458a_200000722269_200000210301 [0,0,0,0,0,1|1,0,0]=2 972 B11R1.86 CC(=O)Cc1ncccc1Cl 1458a_100000070787_100000099807 [0,0,0,0,0,1|2,0,0]=3 973 B11R1.86 CC(=O)Cc1ncccc1Cl 1458a_100011998755_200000210301 [0,0,0,0,0,1|2,0,0]=3 974 B11R1.86 CC(=O)Cc1ncccc1F 1458a_100000070787_100000104219 [0,0,0,0,0,1|2,0,0]=3 975 B11R1.86 CC(=O)Cc1ncccc1O 1458a_100000070787_200020655725 [0,0,0,0,0,1|2,0,0]=3 976 B11R1.86 CC(=O)Cn1cccnc1=O 1458a_100000738077_200000210301 [0,0,0,0,0,1|3,0,0]=4 977 B11R1.86 CC(=O)Cn1ncccc1=O 1458a_100000238584_200000210301 [0,0,0,0,0,1|3,0,0]=4 978 B11R1.86 CC(=O)Nc1ccccc1Br 11a_100000210017_100015343762 [0,0,0,0,0,1|3,0,0]=4 979 B11R1.86 CC(=O)Nc1ccccc1Br 1626a_100000210017_100015343762 [0,0,0,0,0,1|3,0,0]=4 980 B11R1.86 CC(=O)Nc1ccccc1C 11a_100015192222_100015343762 [0,0,0,0,0,1|2,0,0]=3 981 B11R1.86 CC(=O)Nc1ccccc1C 1626a_100015192222_100015343762 [0,0,0,0,0,1|2,0,0]=3 982 B11R1.86 CC(=O)Nc1ccccc1C 22a_100015192222_100000070787 [0,0,0,0,0,1|2,0,0]=3 983 B11R1.86 CC(=O)Nc1ccccc1C 527a_100015192222_100103153847 [0,0,0,0,0,1|2,0,0]=3 984 B11R1.86 CC(=O)Nc1ccccc1Cl 11a_100000185783_100015343762 [0,0,0,0,0,1|3,0,0]=4 985 B11R1.86 CC(=O)Nc1ccccc1Cl 1626a_100000185783_100015343762 [0,0,0,0,0,1|3,0,0]=4 986 B11R1.86 CC(=O)Nc1ccccc1Cl 22a_100000185783_100000070787 [0,0,0,0,0,1|3,0,0]=4 987 B11R1.86 CC(=O)Nc1ccccc1Cl 527a_100000185783_100103153847 [0,0,0,0,0,1|3,0,0]=4 988 B11R1.86 CC(=O)Nc1ccccc1F 11a_100000210422_100015343762 [0,0,0,0,0,1|3,0,0]=4 989 B11R1.86 CC(=O)Nc1ccccc1F 1626a_100000210422_100015343762 [0,0,0,0,0,1|3,0,0]=4 990 B11R1.86 CC(=O)Nc1ccccc1F 22a_100000210422_100000070787 [0,0,0,0,0,1|3,0,0]=4 991 B11R1.86 CC(=O)Nc1ccccc1F 527a_100000210422_100103153847 [0,0,0,0,0,1|3,0,0]=4 992 B11R1.86 CC(=O)Nc1ccccc1I 11a_100000210053_100015343762 [0,0,0,0,0,1|3,0,0]=4 993 B11R1.86 CC(=O)Nc1ccccc1I 1626a_100000210053_100015343762 [0,0,0,0,0,1|3,0,0]=4 994 B11R1.86 CC(=O)Nc1ccccc1O 22a_100000185747_100000070787 [0,0,0,0,0,1|3,0,0]=4 995 B11R1.86 CC(=O)Nc1ccccc1O 271570a_203496583355_100000153524 [0,0,0,0,0,1|3,0,0]=4 996 B11R1.86 CC(=O)Nc1ccccc1O 527a_100000185747_100103153847 [0,0,0,0,0,1|3,0,0]=4 997 B11R1.86 CC(=O)Oc1ccccc1O 271570a_203496583355_100000051690 [0,0,0,0,0,1|3,0,0]=4 998 B11R1.86 CC(=O)Oc1cccnc1O 271570a_203496583355_200009815371 [0,0,0,0,0,1|2,0,0]=3 999 B11R1.86 CC(C)Nc1nccnc1F 27a_100138425928_200010125657 [0,0,0,0,0,1|2,0,1]=4 1000 B11R1.86 CC(C)Sc1nccnc1Cl 62a_100000210206_100010886584 [0,0,0,0,0,1|2,0,1]=4 1001 B11R1.86 CC(C)Sc1nccnc1Cl 62a_100010886584_100000210206 [0,0,0,0,0,1|2,0,1]=4 1002 B11R1.86 CC(C)Sc1nccnc1F 62a_100000210206_200010125657 [0,0,0,0,0,1|2,0,1]=4 1003 B11R1.86 CC(C)Sc1nccnc1F 62a_200010125657_100000210206 [0,0,0,0,0,1|2,0,1]=4 1004 B11R1.86 CC(C)Sc1nccnc1N 62a_100000210206_100000747729 [0,0,0,0,0,1|2,0,1]=4 1005 B11R1.86 CC(C)Sc1nccnc1N 62a_100000747729_100000210206 [0,0,0,0,0,1|2,0,1]=4 1006 B11R1.86 Cc1ccccc1CC(=O)[13CH3] 1458a_100000212180_200025704644 [0,0,0,0,0,1|2,0,0]=3 1007 B11R1.86 Cc1cccnc1CC(=O)[13CH3] 1458a_200000722269_200025704644 [0,0,0,0,0,1|1,0,0]=2 1008 B11R1.86 Cc1cccnc1CN(C)C 2230a_100102631434_100000696600 [0,0,0,0,0,1|3,0,0]=4 1009 B11R1.86 Cc1cccnc1CN(C)C 269982a_100102631434_100000696600 [0,0,0,0,0,1|3,0,0]=4 1010 B11R1.86 Cc1cccnc1CN(C)C 270004a_100102631434_100000698913 [0,0,0,0,0,1|3,0,0]=4 1011 B11R1.86 Cc1cccnc1SC(C)C 62a_100000210206_100000751373 [0,0,0,0,0,1|2,0,1]=4 1012 B11R1.86 Cc1cccnc1SC(C)C 62a_100000751373_100000210206 [0,0,0,0,0,1|2,0,1]=4 1013 B11R1.86 Cc1ncccc1CN(C)C 2230a_100102631434_100000732876 [0,0,0,0,0,1|3,0,0]=4 1014 B11R1.86 Cc1ncccc1CN(C)C 2230a_200011875998_200000210301 [0,0,0,0,0,1|3,0,0]=4 1015 B11R1.86 Cc1ncccc1CN(C)C 269982a_100102631434_100000732876 [0,0,0,0,0,1|3,0,0]=4 1016 B11R1.86 Cc1ncccc1CN(C)C 269982a_200011875998_200000210301 [0,0,0,0,0,1|3,0,0]=4 1017 B11R1.86 Cc1ncccc1CN(C)C 270004a_100102631434_100000751968 [0,0,0,0,0,1|3,0,0]=4 1018 B11R1.86 Cc1ncccc1CN(C)[13CH3] 2230a_200011875998_200025704644 [0,0,0,0,0,1|3,0,0]=4 1019 B11R1.86 Cc1ncccc1CN(C)[13CH3] 269982a_200011875998_200025704644 [0,0,0,0,0,1|3,0,0]=4 1020 B11R1.86 Cc1ncccc1OC(C)C 34a_100000745507_100000210206 [0,0,0,0,0,1|2,0,1]=4 1021 B11R1.86 Cc1ncccc1OC(C)C 7a_100000745507_100000210206 [0,0,0,0,0,1|2,0,1]=4 1022 B11R1.86 Cc1ncccc1SC(C)C 62a_100000210206_100000751574 [0,0,0,0,0,1|2,0,1]=4 1023 B11R1.86 Cc1ncccc1SC(C)C 62a_100000751574_100000210206 [0,0,0,0,0,1|2,0,1]=4 1024 B11R1.86 Cc1nccnc1CN(C)C 270004a_100102631434_100000050726 [0,0,0,0,0,1|2,0,0]=3 1025 B11R1.86 Cc1nccnc1NC(C)C 27a_100138425928_100011999405 [0,0,0,0,0,1|1,0,1]=3 1026 B11R1.86 Cc1nccnc1OC(C)C 34a_100000766352_100000210206 [0,0,0,0,0,1|1,0,1]=3 1027 B11R1.86 Cc1nccnc1SC(C)C 62a_100000210206_100011999405 [0,0,0,0,0,1|1,0,1]=3 1028 B11R1.86 Cc1nccnc1SC(C)C 62a_100011999405_100000210206 [0,0,0,0,0,1|1,0,1]=3 1029 B11R1.86 [13CH3]C(=O)Cc1ccccc1Br 1458a_100000751119_200025704644 [0,0,0,0,0,1|3,0,0]=4 1030 B11R1.86 [13CH3]C(=O)Cc1ccccc1Cl 1458a_100000183793_200025704644 [0,0,0,0,0,1|3,0,0]=4 1031 B11R1.86 [13CH3]C(=O)Cc1ccccc1F 1458a_100000212012_200025704644 [0,0,0,0,0,1|3,0,0]=4 1032 B11R1.86 [13CH3]C(=O)Cc1ccccc1I 1458a_100000036491_200025704644 [0,0,0,0,0,1|3,0,0]=4 1033 B11R1.86 [13CH3]C(=O)Cc1ccccc1O 1458a_100000743006_200025704644 [0,0,0,0,0,1|3,0,0]=4 1034 B11R1.86 [13CH3]C(=O)Cc1cccnc1Cl 1458a_100000093521_200025704644 [0,0,0,0,0,1|2,0,0]=3 1035 B11R1.86 [13CH3]C(=O)Cc1ncccc1Br 1458a_200012357574_200025704644 [0,0,0,0,0,1|2,0,0]=3 1036 B11R1.86 [13CH3]C(=O)Cc1ncccc1Cl 1458a_100011998755_200025704644 [0,0,0,0,0,1|2,0,0]=3 1037 B11R1.86 [13CH3]C(=O)Cn1cccnc1=O 1458a_100000738077_200025704644 [0,0,0,0,0,1|3,0,0]=4 1038 B11R1.86 [13CH3]C(=O)Cn1ncccc1=O 1458a_100000238584_200025704644 [0,0,0,0,0,1|3,0,0]=4 1039 B8R1.2 C=Cc1ccccn1 271570a_100011290941_100011216584 [2,0,0,0,0,0|1,0,1]=4 1040 B8R1.2 C=Cc1cccnc1 271570a_100011290941_100000752921 [2,0,0,0,0,0|1,0,1]=4 1041 B8R1.2 C=Cc1cnccn1 271570a_100011290941_100000758340 [2,0,0,0,0,0|0,0,1]=3 1042 B8R1.2 CNc1cnccn1 27a_100102657272_100000211759 [2,0,0,0,0,0|1,0,0]=3 1043 B8R1.2 COc1cccnc1 34a_100000210849_200000210301 [2,0,0,0,0,0|2,0,0]=4 1044 B8R1.2 COc1cccnc1 7a_100000210849_200000210301 [2,0,0,0,0,0|2,0,0]=4 1045 B8R1.2 CSc1ccccn1 62a_100011216584_200000210301 [2,0,0,0,0,0|2,0,0]=4 1046 B8R1.2 CSc1ccccn1 62a_200000210301_100011216584 [2,0,0,0,0,0|2,0,0]=4 1047 B8R1.2 CSc1cccnc1 62a_100000210063_200000210301 [2,0,0,0,0,0|2,0,0]=4 1048 B8R1.2 CSc1cccnc1 62a_200000210301_100000210063 [2,0,0,0,0,0|2,0,0]=4 1049 B8R1.2 CSc1cnccn1 62a_100000211759_200000210301 [2,0,0,0,0,0|1,0,0]=3 1050 B8R1.2 CSc1cnccn1 62a_200000210301_100000211759 [2,0,0,0,0,0|1,0,0]=3 1051 B8R1.2 [13CH3]Oc1cccnc1 34a_100000210849_200025704644 [2,0,0,0,0,0|2,0,0]=4 1052 B8R1.2 [13CH3]Oc1cccnc1 7a_100000210849_200025704644 [2,0,0,0,0,0|2,0,0]=4 1053 B8R1.2 [13CH3]Sc1ccccn1 62a_100011216584_200025704644 [2,0,0,0,0,0|2,0,0]=4 1054 B8R1.2 [13CH3]Sc1ccccn1 62a_200025704644_100011216584 [2,0,0,0,0,0|2,0,0]=4 1055 B8R1.2 [13CH3]Sc1cccnc1 62a_100000210063_200025704644 [2,0,0,0,0,0|2,0,0]=4 1056 B8R1.2 [13CH3]Sc1cccnc1 62a_200025704644_100000210063 [2,0,0,0,0,0|2,0,0]=4 1057 B8R1.2 [13CH3]Sc1cnccn1 62a_100000211759_200025704644 [2,0,0,0,0,0|1,0,0]=3 1058 B8R1.2 [13CH3]Sc1cnccn1 62a_200025704644_100000211759 [2,0,0,0,0,0|1,0,0]=3 1059 B8R1.5 Cc1cccnc1O 271570a_203496583355_100000751373 [2,0,0,0,0,0|1,0,1]=4 1060 B8R1.5 Cc1ncccc1O 271570a_203496583355_100000751574 [2,0,0,0,0,0|1,0,1]=4 1061 B8R1.5 Cc1nccnc1O 271570a_203496583355_100011999405 [2,0,0,0,0,0|0,0,1]=3 1062 B8R1.5 Nc1nccnc1O 271570a_203496583355_100000747729 [2,0,0,0,0,0|1,0,1]=4 1063 B8R1.5 O=c1[nH]ccnc1O 271570a_203496583355_100000763361 [2,0,0,0,0,0|1,0,1]=4 1064 B8R1.5 Oc1nccnc1F 271570a_203496583355_200010125657 [2,0,0,0,0,0|1,0,1]=4 1065 B10R0.4 CC=CC=CC=NNC(=O)C 4a_100000189765_100000691131 [0,1,1,0,0,0|2,0,0]=4 1066 B10R1.13 C=C(C)c1ccc(cn1)Br 271570a_100000694244_100000686858 [1,1,0,0,0,0|2,0,0]=4 1067 B10R1.13 C=C(C)c1ccc(cn1)C 271570a_100000694244_100000754016 [1,1,0,0,0,0|2,0,0]=4 1068 B10R1.13 C=C(C)c1ccc(cn1)Cl 271570a_100000694244_100011356976 [1,1,0,0,0,0|2,0,0]=4 1069 B10R1.13 C=C(C)c1ccc(cn1)F 271570a_100000694244_100000744514 [1,1,0,0,0,0|2,0,0]=4 1070 B10R1.13 C=C(C)c1ccc(cn1)N 271570a_100000694244_100000744251 [1,1,0,0,0,0|2,0,0]=4 1071 B10R1.13 C=C(C)c1ccc(cn1)O 271570a_100000694244_100000685995 [1,1,0,0,0,0|2,0,0]=4 1072 B10R1.13 C=C(C)c1ccc(nc1)Br 271570a_100000694244_100009814638 [1,1,0,0,0,0|2,0,0]=4 1073 B10R1.13 C=C(C)c1ccc(nc1)C 271570a_100000694244_100000751577 [1,1,0,0,0,0|2,0,0]=4 1074 B10R1.13 C=C(C)c1ccc(nc1)Cl 271570a_100000694244_100000034144 [1,1,0,0,0,0|2,0,0]=4 1075 B10R1.13 C=C(C)c1ccc(nc1)F 271570a_100000694244_100000748661 [1,1,0,0,0,0|2,0,0]=4 1076 B10R1.13 C=C(C)c1ccc(nc1)N 271570a_100000694244_100000187370 [1,1,0,0,0,0|2,0,0]=4 1077 B10R1.13 C=C(C)c1cnc(cn1)C 271570a_100000694244_100011999403 [1,1,0,0,0,0|1,0,0]=3 1078 B10R1.13 C=C(C)c1cnc(cn1)F 271570a_100000694244_100009856528 [1,1,0,0,0,0|1,0,0]=3 1079 B10R1.13 C=C(C)c1cnc(cn1)N 271570a_100000694244_100000761932 [1,1,0,0,0,0|1,0,0]=3 1080 B10R1.13 C=C(C)c1cnc(nn1)N 271570a_100000694244_100000691435 [1,1,0,0,0,0|2,0,0]=4 1081 B10R1.13 CC(=O)c1ccc(cc1)Br 1458a_100000185839_200000210301 [1,1,0,0,0,0|2,0,0]=4 1082 B10R1.13 CC(=O)c1ccc(cc1)C 1458a_100000188618_200000210301 [1,1,0,0,0,0|2,0,0]=4 1083 B10R1.13 CC(=O)c1ccc(cc1)Cl 1458a_100000210187_200000210301 [1,1,0,0,0,0|2,0,0]=4 1084 B10R1.13 CC(=O)c1ccc(cc1)F 1458a_100000187176_200000210301 [1,1,0,0,0,0|2,0,0]=4 1085 B10R1.13 CC(=O)c1ccc(cc1)I 1458a_100000187904_200000210301 [1,1,0,0,0,0|2,0,0]=4 1086 B10R1.13 CC(=O)c1ccc(cc1)O 1458a_100000212099_200000210301 [1,1,0,0,0,0|2,0,0]=4 1087 B10R1.13 CC(=O)c1ccc(cc1)O 271570a_203496583355_100000185465 [1,1,0,0,0,0|2,0,0]=4 1088 B10R1.13 CC(=O)c1ccc(cn1)O 271570a_203496583355_100000686046 [1,1,0,0,0,0|1,0,0]=3 1089 B10R1.13 CC(=O)c1ccc(nc1)O 271570a_203496583355_100000684857 [1,1,0,0,0,0|1,0,0]=3 1090 B10R1.13 CC(=O)c1cnc(cn1)O 271570a_203496583355_100009883172 [1,1,0,0,0,0|0,0,0]=2 1091 B10R1.13 CC(=O)c1cnc(nc1)O 271570a_203496583355_100000099681 [1,1,0,0,0,0|2,0,0]=4 1092 B10R1.13 CC(=O)c1ncc(cn1)O 271570a_203496583355_100010077182 [1,1,0,0,0,0|2,0,0]=4 1093 B10R1.13 CN(C)c1cnc(cn1)Br 27a_100102631434_100010187541 [1,1,0,0,0,0|2,0,0]=4 1094 B10R1.13 CN(C)c1cnc(cn1)F 27a_100102631434_100009856528 [1,1,0,0,0,0|2,0,0]=4 1095 B10R1.13 CN(C)c1cnc(cn1)O 271570a_203496583355_100012356732 [1,1,0,0,0,0|2,0,0]=4 1096 B10R1.13 Cc1ccc(cc1)C(=O)[13CH3] 1458a_100000188618_200025704644 [1,1,0,0,0,0|2,0,0]=4 1097 B10R1.13 Cc1cnc(cn1)N(C)C 27a_100102631434_100000074397 [1,1,0,0,0,0|2,0,0]=4 1098 B10R1.13 NC(=O)c1ccc(cn1)O 271570a_203496583355_100011219284 [1,1,0,0,0,0|2,0,0]=4 1099 B10R1.13 NC(=O)c1ccc(nc1)O 271570a_203496583355_100000162237 [1,1,0,0,0,0|2,0,0]=4 1100 B10R1.13 NC(=O)c1cnc(cn1)O 271570a_203496583355_100000738300 [1,1,0,0,0,0|1,0,0]=3 1101 B10R1.13 [13CH3]C(=O)c1ccc(cc1)Br 1458a_100000185839_200025704644 [1,1,0,0,0,0|2,0,0]=4 1102 B10R1.13 [13CH3]C(=O)c1ccc(cc1)Cl 1458a_100000210187_200025704644 [1,1,0,0,0,0|2,0,0]=4 1103 B10R1.13 [13CH3]C(=O)c1ccc(cc1)F 1458a_100000187176_200025704644 [1,1,0,0,0,0|2,0,0]=4 1104 B10R1.13 [13CH3]C(=O)c1ccc(cc1)I 1458a_100000187904_200025704644 [1,1,0,0,0,0|2,0,0]=4 1105 B10R1.13 [13CH3]C(=O)c1ccc(cc1)O 1458a_100000212099_200025704644 [1,1,0,0,0,0|2,0,0]=4 1106 B10R1.15 CC(S[13CH3])c1cnccn1 62a_200000703233_200025704644 [1,1,0,0,0,0|0,1,1]=4 1107 B10R1.15 CC(S[13CH3])c1cnccn1 62a_200025704644_200000703233 [1,1,0,0,0,0|0,1,1]=4 1108 B10R1.15 CCC(=O)c1ccccc1 1458a_100000185807_100000210202 [1,1,0,0,0,0|2,0,0]=4 1109 B10R1.15 CNC(=O)c1ccccc1 11a_106832991635_100000185807 [1,1,0,0,0,0|2,0,0]=4 1110 B10R1.15 CNC(=O)c1ccccc1 1626a_100102657272_100000185807 [1,1,0,0,0,0|2,0,0]=4 1111 B10R1.15 CNC(=O)c1ccccc1 240690a_100102657272_100000185807 [1,1,0,0,0,0|2,0,0]=4 1112 B10R1.15 CNC(=O)c1ccccc1 527a_100102657272_100000185807 [1,1,0,0,0,0|2,0,0]=4 1113 B10R1.15 CNC(C)c1cnccn1 2230a_106832991635_200000703233 [1,1,0,0,0,0|1,0,1]=4 1114 B10R1.15 CNC(C)c1cnccn1 269862a_106832991636_100000751083 [1,1,0,0,0,0|1,0,1]=4 1115 B10R1.15 CNC(C)c1cnccn1 7a_106832991635_200000703233 [1,1,0,0,0,0|1,0,1]=4 1116 B10R1.15 CN[C@H](C)c1cnccn1 2230a_100020589798_200000210301 [1,1,0,0,0,0|1,0,1]=4 1117 B10R1.15 CSC(C)c1cnccn1 62a_200000210301_200000703233 [1,1,0,0,0,0|0,1,1]=4 1118 B10R1.15 CSC(C)c1cnccn1 62a_200000703233_200000210301 [1,1,0,0,0,0|0,1,1]=4 1119 B10R1.15 C[C@@H](N[13CH3])c1cnccn1 2230a_100020589798_200025704644 [1,1,0,0,0,0|1,0,1]=4 1120 B10R1.15 O=C(CF)c1ccccc1 1458a_100000185807_100015361967 [1,1,0,0,0,0|2,0,0]=4 1121 B10R1.113 C=C(C)c1c[n+](ccn1)[O-] 271570a_100000694244_100009880115 [1,1,0,0,0,0|1,0,1]=4 1122 B10R1.113 C=C(C)c1cc(ccn1)C 271570a_100000694244_100000750283 [1,1,0,0,0,0|2,0,0]=4 1123 B10R1.113 C=C(C)c1cc(ccn1)Cl 271570a_100000694244_100010167805 [1,1,0,0,0,0|2,0,0]=4 1124 B10R1.113 C=C(C)c1cc(ccn1)F 271570a_100000694244_100009817058 [1,1,0,0,0,0|2,0,0]=4 1125 B10R1.113 C=C(C)c1cc(ccn1)N 271570a_100000694244_100009814236 [1,1,0,0,0,0|2,0,0]=4 1126 B10R1.113 C=C(C)c1cc(ccn1)O 271570a_100000694244_100000762945 [1,1,0,0,0,0|2,0,0]=4 1127 B10R1.113 C=C(C)c1cccc(n1)Br 271570a_100000694244_100000684672 [1,1,0,0,0,0|2,0,0]=4 1128 B10R1.113 C=C(C)c1cccc(n1)C 271570a_100000694244_100000742759 [1,1,0,0,0,0|2,0,0]=4 1129 B10R1.113 C=C(C)c1cccc(n1)F 271570a_100000694244_100009815982 [1,1,0,0,0,0|2,0,0]=4 1130 B10R1.113 C=C(C)c1cccc(n1)N 271570a_100000694244_100000740741 [1,1,0,0,0,0|2,0,0]=4 1131 B10R1.113 C=C(C)c1cncc(c1)Br 271570a_100000694244_100000728054 [1,1,0,0,0,0|2,0,0]=4 1132 B10R1.113 C=C(C)c1cncc(c1)C 271570a_100000694244_100000760492 [1,1,0,0,0,0|2,0,0]=4 1133 B10R1.113 C=C(C)c1cncc(c1)Cl 271570a_100000694244_100000049639 [1,1,0,0,0,0|2,0,0]=4 1134 B10R1.113 C=C(C)c1cncc(c1)F 271570a_100000694244_100000744099 [1,1,0,0,0,0|2,0,0]=4 1135 B10R1.113 C=C(C)c1cncc(c1)N 271570a_100000694244_100000687067 [1,1,0,0,0,0|2,0,0]=4 1136 B10R1.113 C=C(C)c1cncc(c1)O 271570a_100000694244_100000754920 [1,1,0,0,0,0|2,0,0]=4 1137 B10R1.113 C=C(C)c1cncc(c1)O 271570a_203496583355_200009889500 [1,1,0,0,0,0|2,0,0]=4 1138 B10R1.113 C=C(C)c1cncc(n1)C 271570a_100000694244_100009842155 [1,1,0,0,0,0|1,0,0]=3 1139 B10R1.113 C=C(C)c1cncc(n1)F 271570a_100000694244_200009863489 [1,1,0,0,0,0|1,0,0]=3 1140 B10R1.113 C=C(C)c1cncc(n1)N 271570a_100000694244_100009819714 [1,1,0,0,0,0|1,0,0]=3 1141 B10R1.113 C=C(C)c1cncc(n1)O 271570a_100000694244_100011269956 [1,1,0,0,0,0|1,0,0]=3 1142 B10R1.113 CC(=O)c1cc(ccn1)O 271570a_203496583355_100000709912 [1,1,0,0,0,0|1,0,0]=3 1143 B10R1.113 CC(=O)c1cccc(c1)Br 1458a_100000210664_200000210301 [1,1,0,0,0,0|2,0,0]=4 1144 B10R1.113 CC(=O)c1cccc(c1)C 1458a_100000189346_200000210301 [1,1,0,0,0,0|2,0,0]=4 1145 B10R1.113 CC(=O)c1cccc(c1)Cl 1458a_100000210390_200000210301 [1,1,0,0,0,0|2,0,0]=4 1146 B10R1.113 CC(=O)c1cccc(c1)F 1458a_100000210950_200000210301 [1,1,0,0,0,0|2,0,0]=4 1147 B10R1.113 CC(=O)c1cccc(c1)I 1458a_100000184098_200000210301 [1,1,0,0,0,0|2,0,0]=4 1148 B10R1.113 CC(=O)c1cccc(c1)O 1458a_100000183914_200000210301 [1,1,0,0,0,0|2,0,0]=4 1149 B10R1.113 CC(=O)c1cccc(c1)O 271570a_203496583355_100000210093 [1,1,0,0,0,0|2,0,0]=4 1150 B10R1.113 CC(=O)c1cccc(n1)O 271570a_203496583355_100009816502 [1,1,0,0,0,0|1,0,0]=3 1151 B10R1.113 CC(=O)c1ccnc(n1)O 271570a_203496583355_100010643186 [1,1,0,0,0,0|2,0,0]=4 1152 B10R1.113 CC(=O)c1cncc(c1)O 271570a_203496583355_100011216243 [1,1,0,0,0,0|1,0,0]=3 1153 B10R1.113 CC(C)c1cncc(n1)O 271570a_203496583355_100012056704 [1,1,0,0,0,0|1,0,1]=4 1154 B10R1.113 CN(C)c1cncc(n1)Cl 27a_100102631434_100010892449 [1,1,0,0,0,0|2,0,0]=4 1155 B10R1.113 CN(C)c1cncc(n1)F 27a_100102631434_200009863489 [1,1,0,0,0,0|2,0,0]=4 1156 B10R1.113 CN(C)c1cncc(n1)O 271570a_203496583355_100000749133 [1,1,0,0,0,0|2,0,0]=4 1157 B10R1.113 Cc1cccc(c1)C(=O)[13CH3] 1458a_100000189346_200025704644 [1,1,0,0,0,0|2,0,0]=4 1158 B10R1.113 Cc1cncc(n1)N(C)C 27a_100102631434_100000754123 [1,1,0,0,0,0|2,0,0]=4 1159 B10R1.113 NC(=O)c1cc(ccn1)O 271570a_203496583355_100000229564 [1,1,0,0,0,0|2,0,0]=4 1160 B10R1.113 NC(=O)c1cccc(n1)O 271570a_203496583355_100011834053 [1,1,0,0,0,0|2,0,0]=4 1161 B10R1.113 NC(=O)c1cncc(c1)O 271570a_203496583355_100000162242 [1,1,0,0,0,0|2,0,0]=4 1162 B10R1.113 NC(=O)c1cncc(n1)O 271570a_203496583355_100000764846 [1,1,0,0,0,0|1,0,0]=3 1163 B10R1.113 [13CH3]C(=O)c1cccc(c1)Br 1458a_100000210664_200025704644 [1,1,0,0,0,0|2,0,0]=4 1164 B10R1.113 [13CH3]C(=O)c1cccc(c1)Cl 1458a_100000210390_200025704644 [1,1,0,0,0,0|2,0,0]=4 1165 B10R1.113 [13CH3]C(=O)c1cccc(c1)F 1458a_100000210950_200025704644 [1,1,0,0,0,0|2,0,0]=4 1166 B10R1.113 [13CH3]C(=O)c1cccc(c1)I 1458a_100000184098_200025704644 [1,1,0,0,0,0|2,0,0]=4 1167 B10R1.113 [13CH3]C(=O)c1cccc(c1)O 1458a_100000183914_200025704644 [1,1,0,0,0,0|2,0,0]=4 1168 B10R1.2 C=Cc1nccc(c1C)C 271570a_100011290941_100009847204 [1,1,0,0,0,0|1,0,1]=4 1169 B10R1.2 C=Cc1nccc(c1C)F 271570a_100011290941_100009846374 [1,1,0,0,0,0|1,0,1]=4 1170 B10R1.2 C=Cc1nccc(c1C)N 271570a_100011290941_100009980296 [1,1,0,0,0,0|1,0,1]=4 1171 B10R1.2 CNc1nccc(c1C)F 27a_100102657272_100009846374 [1,1,0,0,0,0|2,0,0]=4 1172 B10R1.2 COc1nccc(c1C)Br 34a_100009858498_200000210301 [1,1,0,0,0,0|2,0,0]=4 1173 B10R1.2 COc1nccc(c1C)O 271570a_203496583355_100010068544 [1,1,0,0,0,0|2,0,0]=4 1174 B10R1.2 CSc1nccc(c1C)C 62a_100009847204_200000210301 [1,1,0,0,0,0|2,0,0]=4 1175 B10R1.2 CSc1nccc(c1C)C 62a_200000210301_100009847204 [1,1,0,0,0,0|2,0,0]=4 1176 B10R1.2 CSc1nccc(c1C)F 62a_100009846374_200000210301 [1,1,0,0,0,0|2,0,0]=4 1177 B10R1.2 CSc1nccc(c1C)F 62a_200000210301_100009846374 [1,1,0,0,0,0|2,0,0]=4 1178 B10R1.2 CSc1nccc(c1C)N 62a_100000690622_200000210301 [1,1,0,0,0,0|2,0,0]=4 1179 B10R1.2 CSc1nccc(c1C)N 62a_200000210301_100000690622 [1,1,0,0,0,0|2,0,0]=4 1180 B10R1.2 Cc1c(cccc1C=O)O 271570a_203496583355_100012179384 [1,1,0,0,0,0|2,0,0]=4 1181 B10R1.2 Cc1c(ccnc1O[13CH3])Br 34a_100009858498_200025704644 [1,1,0,0,0,0|2,0,0]=4 1182 B10R1.2 Cc1c(ccnc1S[13CH3])F 62a_100009846374_200025704644 [1,1,0,0,0,0|2,0,0]=4 1183 B10R1.2 Cc1c(ccnc1S[13CH3])F 62a_200025704644_100009846374 [1,1,0,0,0,0|2,0,0]=4 1184 B10R1.2 Cc1c(ccnc1S[13CH3])N 62a_100000690622_200025704644 [1,1,0,0,0,0|2,0,0]=4 1185 B10R1.2 Cc1c(ccnc1S[13CH3])N 62a_200025704644_100000690622 [1,1,0,0,0,0|2,0,0]=4 1186 B10R1.2 Cc1ccnc(c1C)S[13CH3] 62a_100009847204_200025704644 [1,1,0,0,0,0|2,0,0]=4 1187 B10R1.2 Cc1ccnc(c1C)S[13CH3] 62a_200025704644_100009847204 [1,1,0,0,0,0|2,0,0]=4 1188 B10R1.2 O=Cc1nccc(c1F)O 271570a_203496583355_100015713984 [1,1,0,0,0,0|2,0,0]=4 1189 B10R1.4 C=C=Cc1cccnc1C 271570a_100015277604_100000751574 [1,1,0,0,0,0|1,0,1]=4 1190 B10R1.4 C=C=Cc1ncccc1C 271570a_100015277604_100000751373 [1,1,0,0,0,0|1,0,1]=4 1191 B10R1.4 C=C=Cc1nccnc1C 271570a_100015277604_100011999405 [1,1,0,0,0,0|0,0,1]=3 1192 B10R1.4 C=C=Cc1nccnc1F 271570a_100015277604_200010125657 [1,1,0,0,0,0|1,0,1]=4 1193 B10R1.4 C=C=Cc1nccnc1N 271570a_100015277604_100000747729 [1,1,0,0,0,0|1,0,1]=4 1194 B10R1.4 CC=Cc1ccccc1C 271570a_100016259895_100000210755 [1,1,0,0,0,0|2,0,0]=4 1195 B10R1.4 CC=Cc1cccnc1Br 271570a_100016259895_100010202626 [1,1,0,0,0,0|2,0,0]=4 1196 B10R1.4 CC=Cc1cccnc1C 271570a_100016259895_100000751574 [1,1,0,0,0,0|1,0,0]=3 1197 B10R1.4 CC=Cc1cccnc1Cl 271570a_100016259895_100000036424 [1,1,0,0,0,0|2,0,0]=4 1198 B10R1.4 CC=Cc1cccnc1F 271570a_100016259895_100009816115 [1,1,0,0,0,0|2,0,0]=4 1199 B10R1.4 CC=Cc1cccnc1N 271570a_100016259895_100000045569 [1,1,0,0,0,0|2,0,0]=4 1200 B10R1.4 CC=Cc1cncnc1C 271570a_100016259895_100009819671 [1,1,0,0,0,0|2,0,0]=4 1201 B10R1.4 CC=Cc1ncc[nH]c1=O 271570a_100016259895_100000763361 [1,1,0,0,0,0|1,0,1]=4 1202 B10R1.4 CC=Cc1ncccc1Br 271570a_100016259895_100000696092 [1,1,0,0,0,0|2,0,0]=4 1203 B10R1.4 CC=Cc1ncccc1C 271570a_100016259895_100000751373 [1,1,0,0,0,0|1,0,0]=3 1204 B10R1.4 CC=Cc1ncccc1Cl 271570a_100016259895_100011356963 [1,1,0,0,0,0|2,0,0]=4 1205 B10R1.4 CC=Cc1ncccc1F 271570a_100016259895_100000685392 [1,1,0,0,0,0|2,0,0]=4 1206 B10R1.4 CC=Cc1ncccc1N 271570a_100016259895_100000688686 [1,1,0,0,0,0|2,0,0]=4 1207 B10R1.4 CC=Cc1ncccc1O 271570a_100016259895_100000034122 [1,1,0,0,0,0|2,0,0]=4 1208 B10R1.4 CC=Cc1nccnc1C 271570a_100016259895_100011999405 [1,1,0,0,0,0|0,0,0]=2 1209 B10R1.4 CC=Cc1nccnc1F 271570a_100016259895_200010125657 [1,1,0,0,0,0|1,0,0]=3 1210 B10R1.4 CC=Cc1nccnc1N 271570a_100016259895_100000747729 [1,1,0,0,0,0|1,0,0]=3 1211 B10R1.4 CC=Cc1ncncc1C 271570a_100016259895_100011998708 [1,1,0,0,0,0|2,0,0]=4 1212 B10R1.4 CC=Cc1nnccc1C 271570a_100016259895_100000089043 [1,1,0,0,0,0|2,0,0]=4 1213 B10R1.4 CCNc1nccnc1C 27a_100015525214_100011999405 [1,1,0,0,0,0|0,0,1]=3 1214 B10R1.4 CCNc1nccnc1F 27a_100015525214_200010125657 [1,1,0,0,0,0|1,0,1]=4 1215 B10R1.4 CCOc1cccnc1C 34a_100000745507_100000210202 [1,1,0,0,0,0|1,0,1]=4 1216 B10R1.4 CCOc1cccnc1C 7a_100000745507_100000210202 [1,1,0,0,0,0|1,0,1]=4 1217 B10R1.4 CCOc1nccnc1C 34a_100000766352_100000210202 [1,1,0,0,0,0|0,0,1]=3 1218 B10R1.4 CCOc1nccnc1O 271570a_203496583355_200010128176 [1,1,0,0,0,0|1,0,1]=4 1219 B10R1.4 CCSc1cccnc1C 62a_100000210202_100000751574 [1,1,0,0,0,0|1,0,1]=4 1220 B10R1.4 CCSc1cccnc1C 62a_100000751574_100000210202 [1,1,0,0,0,0|1,0,1]=4 1221 B10R1.4 CCSc1ncccc1C 62a_100000210202_100000751373 [1,1,0,0,0,0|1,0,1]=4 1222 B10R1.4 CCSc1ncccc1C 62a_100000751373_100000210202 [1,1,0,0,0,0|1,0,1]=4 1223 B10R1.4 CCSc1nccnc1C 62a_100000210202_100011999405 [1,1,0,0,0,0|0,0,1]=3 1224 B10R1.4 CCSc1nccnc1C 62a_100011999405_100000210202 [1,1,0,0,0,0|0,0,1]=3 1225 B10R1.4 CCSc1nccnc1Cl 62a_100000210202_100010886584 [1,1,0,0,0,0|1,0,1]=4 1226 B10R1.4 CCSc1nccnc1Cl 62a_100010886584_100000210202 [1,1,0,0,0,0|1,0,1]=4 1227 B10R1.4 CCSc1nccnc1F 62a_100000210202_200010125657 [1,1,0,0,0,0|1,0,1]=4 1228 B10R1.4 CCSc1nccnc1F 62a_200010125657_100000210202 [1,1,0,0,0,0|1,0,1]=4 1229 B10R1.4 CCSc1nccnc1N 62a_100000210202_100000747729 [1,1,0,0,0,0|1,0,1]=4 1230 B10R1.4 CCSc1nccnc1N 62a_100000747729_100000210202 [1,1,0,0,0,0|1,0,1]=4 1231 B10R1.4 CNCc1cccnc1C 207a_100102657272_100000751968 [1,1,0,0,0,0|1,0,1]=4 1232 B10R1.4 CNCc1cccnc1C 2230a_106832991635_100000732876 [1,1,0,0,0,0|1,0,1]=4 1233 B10R1.4 CNCc1cccnc1C 270004a_106832991635_100000751968 [1,1,0,0,0,0|1,0,1]=4 1234 B10R1.4 CNCc1cccnc1C 34a_100102657272_100000732876 [1,1,0,0,0,0|1,0,1]=4 1235 B10R1.4 CNCc1cccnc1C 7a_106832991635_100000732876 [1,1,0,0,0,0|1,0,1]=4 1236 B10R1.4 CNCc1ncccc1C 207a_100102657272_100000698913 [1,1,0,0,0,0|1,0,1]=4 1237 B10R1.4 CNCc1ncccc1C 2230a_106832991635_100000696600 [1,1,0,0,0,0|1,0,1]=4 1238 B10R1.4 CNCc1ncccc1C 270004a_106832991635_100000698913 [1,1,0,0,0,0|1,0,1]=4 1239 B10R1.4 CNCc1ncccc1C 34a_100011223789_200000210301 [1,1,0,0,0,0|1,0,1]=4 1240 B10R1.4 CNCc1ncccc1C 34a_100102657272_100000696600 [1,1,0,0,0,0|1,0,1]=4 1241 B10R1.4 CNCc1ncccc1C 7a_106832991635_100000696600 [1,1,0,0,0,0|1,0,1]=4 1242 B10R1.4 CNCc1nccnc1C 2230a_100020641712_200000210301 [1,1,0,0,0,0|0,0,1]=3 1243 B10R1.4 CNCc1nccnc1C 270004a_106832991635_100000050726 [1,1,0,0,0,0|0,0,1]=3 1244 B10R1.4 CNCc1nccnc1C 34a_100020641712_200000210301 [1,1,0,0,0,0|0,0,1]=3 1245 B10R1.4 CNCc1nccnc1Cl 2230a_100000729963_200000210301 [1,1,0,0,0,0|1,0,1]=4 1246 B10R1.4 COCc1cccnc1C 34a_100000729262_200000210301 [1,1,0,0,0,0|1,0,1]=4 1247 B10R1.4 COCc1cccnc1C 34a_100138415774_100000732876 [1,1,0,0,0,0|1,0,1]=4 1248 B10R1.4 COCc1cccnc1C 7a_100000729262_200000210301 [1,1,0,0,0,0|1,0,1]=4 1249 B10R1.4 COCc1ncccc1C 34a_100000698912_200000210301 [1,1,0,0,0,0|1,0,1]=4 1250 B10R1.4 COCc1ncccc1C 34a_100138415774_100000696600 [1,1,0,0,0,0|1,0,1]=4 1251 B10R1.4 COCc1nccnc1Cl 34a_100000057004_200000210301 [1,1,0,0,0,0|1,0,1]=4 1252 B10R1.4 CSCc1cccnc1C 62a_100000732876_200000210301 [1,1,0,0,0,0|1,0,1]=4 1253 B10R1.4 CSCc1cccnc1C 62a_200000210301_100000732876 [1,1,0,0,0,0|1,0,1]=4 1254 B10R1.4 CSCc1ncccc1C 62a_100000696600_200000210301 [1,1,0,0,0,0|1,0,1]=4 1255 B10R1.4 CSCc1ncccc1C 62a_200000210301_100000696600 [1,1,0,0,0,0|1,0,1]=4 1256 B10R1.4 Cc1cccnc1CN[13CH3] 34a_100011223789_200025704644 [1,1,0,0,0,0|1,0,1]=4 1257 B10R1.4 Cc1cccnc1CO[13CH3] 34a_100000698912_200025704644 [1,1,0,0,0,0|1,0,1]=4 1258 B10R1.4 Cc1cccnc1CS[13CH3] 62a_100000696600_200025704644 [1,1,0,0,0,0|1,0,1]=4 1259 B10R1.4 Cc1cccnc1CS[13CH3] 62a_200025704644_100000696600 [1,1,0,0,0,0|1,0,1]=4 1260 B10R1.4 Cc1cccnc1SCF 62a_100000751373_100015361967 [1,1,0,0,0,0|2,0,0]=4 1261 B10R1.4 Cc1cccnc1SCF 62a_100015361967_100000751373 [1,1,0,0,0,0|2,0,0]=4 1262 B10R1.4 Cc1ncccc1CO[13CH3] 34a_100000729262_200025704644 [1,1,0,0,0,0|1,0,1]=4 1263 B10R1.4 Cc1ncccc1CO[13CH3] 7a_100000729262_200025704644 [1,1,0,0,0,0|1,0,1]=4 1264 B10R1.4 Cc1ncccc1CS[13CH3] 62a_100000732876_200025704644 [1,1,0,0,0,0|1,0,1]=4 1265 B10R1.4 Cc1ncccc1CS[13CH3] 62a_200025704644_100000732876 [1,1,0,0,0,0|1,0,1]=4 1266 B10R1.4 Cc1ncccc1OCF 34a_100000745507_100015361967 [1,1,0,0,0,0|2,0,0]=4 1267 B10R1.4 Cc1ncccc1OCF 7a_100000745507_100015361967 [1,1,0,0,0,0|2,0,0]=4 1268 B10R1.4 Cc1ncccc1SCF 62a_100000751574_100015361967 [1,1,0,0,0,0|2,0,0]=4 1269 B10R1.4 Cc1ncccc1SCF 62a_100015361967_100000751574 [1,1,0,0,0,0|2,0,0]=4 1270 B10R1.4 Cc1nccnc1CN[13CH3] 2230a_100020641712_200025704644 [1,1,0,0,0,0|0,0,1]=3 1271 B10R1.4 Cc1nccnc1CN[13CH3] 34a_100020641712_200025704644 [1,1,0,0,0,0|0,0,1]=3 1272 B10R1.4 Cc1nccnc1OCF 34a_100000766352_100015361967 [1,1,0,0,0,0|1,0,0]=3 1273 B10R1.4 Cc1nccnc1SCF 62a_100011999405_100015361967 [1,1,0,0,0,0|1,0,0]=3 1274 B10R1.4 Cc1nccnc1SCF 62a_100015361967_100011999405 [1,1,0,0,0,0|1,0,0]=3 1275 B10R1.4 FCSc1nccnc1Cl 62a_100010886584_100015361967 [1,1,0,0,0,0|2,0,0]=4 1276 B10R1.4 FCSc1nccnc1Cl 62a_100015361967_100010886584 [1,1,0,0,0,0|2,0,0]=4 1277 B10R1.4 FCSc1nccnc1F 62a_100015361967_200010125657 [1,1,0,0,0,0|2,0,0]=4 1278 B10R1.4 FCSc1nccnc1F 62a_200010125657_100015361967 [1,1,0,0,0,0|2,0,0]=4 1279 B10R1.4 Nc1nccnc1SCF 62a_100000747729_100015361967 [1,1,0,0,0,0|2,0,0]=4 1280 B10R1.4 Nc1nccnc1SCF 62a_100015361967_100000747729 [1,1,0,0,0,0|2,0,0]=4 1281 B10R1.4 [13CH3]NCc1nccnc1Cl 2230a_100000729963_200025704644 [1,1,0,0,0,0|1,0,1]=4 1282 B10R1.4 [13CH3]OCc1nccnc1Cl 34a_100000057004_200025704644 [1,1,0,0,0,0|1,0,1]=4 1283 B10R1.20 C=Cc1cccnc1C=O 271570a_100011290941_100011934733 [1,1,0,0,0,0|1,0,1]=4 1284 B10R1.20 C=Cc1cccnc1CC 271570a_100011290941_100009877225 [1,1,0,0,0,0|1,0,1]=4 1285 B10R1.20 C=Cc1cccnc1CN 271570a_100011290941_100020591323 [1,1,0,0,0,0|1,0,1]=4 1286 B10R1.20 C=Cc1cccnc1CO 271570a_100011290941_100011996772 [1,1,0,0,0,0|1,0,1]=4 1287 B10R1.20 C=Cc1cccnc1NC 271570a_100011290941_100000700899 [1,1,0,0,0,0|1,0,1]=4 1288 B10R1.20 C=Cc1cccnc1OC 271570a_100011290941_100000047025 [1,1,0,0,0,0|1,0,1]=4 1289 B10R1.20 C=Cc1cccnc1SC 271570a_100011290941_100011465278 [1,1,0,0,0,0|1,0,1]=4 1290 B10R1.20 C=Cc1ncccc1C=O 271570a_100011290941_100009816751 [1,1,0,0,0,0|1,0,1]=4 1291 B10R1.20 C=Cc1ncccc1CN 271570a_100011290941_100015189234 [1,1,0,0,0,0|1,0,1]=4 1292 B10R1.20 C=Cc1ncccc1CO 271570a_100011290941_100000748726 [1,1,0,0,0,0|1,0,1]=4 1293 B10R1.20 C=Cc1ncccc1NC 271570a_100011290941_200011806188 [1,1,0,0,0,0|1,0,1]=4 1294 B10R1.20 C=Cc1ncccc1OC 271570a_100011290941_100000690851 [1,1,0,0,0,0|1,0,1]=4 1295 B10R1.20 C=Cc1nccnc1C#N 271570a_100011290941_100000040484 [1,1,0,0,0,0|0,0,2]=4 1296 B10R1.20 C=Cc1nccnc1CC 271570a_100011290941_100011995844 [1,1,0,0,0,0|0,0,1]=3 1297 B10R1.20 C=Cc1nccnc1CN 271570a_100011290941_100000729963 [1,1,0,0,0,0|0,0,1]=3 1298 B10R1.20 C=Cc1nccnc1CO 271570a_100011290941_100000057004 [1,1,0,0,0,0|0,0,1]=3 1299 B10R1.20 C=Cc1nccnc1NC 271570a_100011290941_100011529439 [1,1,0,0,0,0|0,0,1]=3 1300 B10R1.20 C=Cc1nccnc1NN 271570a_100011290941_100000755098 [1,1,0,0,0,0|1,0,1]=4 1301 B10R1.20 C=Cc1nccnc1OC 271570a_100011290941_100000749998 [1,1,0,0,0,0|0,0,1]=3 1302 B10R1.20 CCc1ncccc1SC 62a_100009877225_200000210301 [1,1,0,0,0,0|1,0,1]=4 1303 B10R1.20 CCc1ncccc1SC 62a_200000210301_100009877225 [1,1,0,0,0,0|1,0,1]=4 1304 B10R1.20 CCc1ncccc1S[13CH3] 62a_100009877225_200025704644 [1,1,0,0,0,0|1,0,1]=4 1305 B10R1.20 CCc1ncccc1S[13CH3] 62a_200025704644_100009877225 [1,1,0,0,0,0|1,0,1]=4 1306 B10R1.20 CCc1nccnc1NC 27a_100102657272_100011995844 [1,1,0,0,0,0|0,0,1]=3 1307 B10R1.20 CCc1nccnc1SC 62a_100011995844_200000210301 [1,1,0,0,0,0|0,0,1]=3 1308 B10R1.20 CCc1nccnc1SC 62a_200000210301_100011995844 [1,1,0,0,0,0|0,0,1]=3 1309 B10R1.20 CCc1nccnc1S[13CH3] 62a_100011995844_200025704644 [1,1,0,0,0,0|0,0,1]=3 1310 B10R1.20 CCc1nccnc1S[13CH3] 62a_200025704644_100011995844 [1,1,0,0,0,0|0,0,1]=3 1311 B10R1.20 CNc1cccnc1SC 62a_200000210301_200011806188 [1,1,0,0,0,0|2,0,0]=4 1312 B10R1.20 CNc1cccnc1S[13CH3] 62a_200025704644_200011806188 [1,1,0,0,0,0|2,0,0]=4 1313 B10R1.20 CNc1ncccc1SC 62a_100000700899_200000210301 [1,1,0,0,0,0|2,0,0]=4 1314 B10R1.20 CNc1ncccc1SC 62a_200000210301_100000700899 [1,1,0,0,0,0|2,0,0]=4 1315 B10R1.20 CNc1ncccc1S[13CH3] 62a_100000700899_200025704644 [1,1,0,0,0,0|2,0,0]=4 1316 B10R1.20 CNc1ncccc1S[13CH3] 62a_200025704644_100000700899 [1,1,0,0,0,0|2,0,0]=4 1317 B10R1.20 CNc1nccnc1C#N 27a_100102657272_100000040484 [1,1,0,0,0,0|1,0,1]=4 1318 B10R1.20 CNc1nccnc1OC 27a_100102657272_100009858322 [1,1,0,0,0,0|1,0,0]=3 1319 B10R1.20 CNc1nccnc1SC 62a_200000210301_100011529439 [1,1,0,0,0,0|1,0,0]=3 1320 B10R1.20 CNc1nccnc1S[13CH3] 62a_200025704644_100011529439 [1,1,0,0,0,0|1,0,0]=3 1321 B10R1.20 COc1cccnc1CBr 34a_200020655725_200000210301 [1,1,0,0,0,0|2,0,0]=4 1322 B10R1.20 COc1cccnc1CBr 7a_200020655725_200000210301 [1,1,0,0,0,0|2,0,0]=4 1323 B10R1.20 COc1cccnc1CO 34a_100000731849_200000210301 [1,1,0,0,0,0|2,0,0]=4 1324 B10R1.20 COc1cccnc1OC 34a_100000698397_200000210301 [1,1,0,0,0,0|2,0,0]=4 1325 B10R1.20 COc1cccnc1OC 34a_100025773188_200000210301 [1,1,0,0,0,0|2,0,0]=4 1326 B10R1.20 COc1cccnc1OC 7a_100000698397_200000210301 [1,1,0,0,0,0|2,0,0]=4 1327 B10R1.20 COc1cccnc1O[13CH3] 34a_100025773188_200025704644 [1,1,0,0,0,0|2,0,0]=4 1328 B10R1.20 COc1cccnc1SC 62a_100000767102_200000210301 [1,1,0,0,0,0|2,0,0]=4 1329 B10R1.20 COc1cccnc1SC 62a_200000210301_100000690851 [1,1,0,0,0,0|2,0,0]=4 1330 B10R1.20 COc1cccnc1S[13CH3] 62a_100000767102_200025704644 [1,1,0,0,0,0|2,0,0]=4 1331 B10R1.20 COc1cccnc1S[13CH3] 62a_200025704644_100000690851 [1,1,0,0,0,0|2,0,0]=4 1332 B10R1.20 COc1ncccc1O[13CH3] 34a_100000698397_200025704644 [1,1,0,0,0,0|2,0,0]=4 1333 B10R1.20 COc1ncccc1O[13CH3] 7a_100000698397_200025704644 [1,1,0,0,0,0|2,0,0]=4 1334 B10R1.20 COc1ncccc1SC 62a_100000047025_200000210301 [1,1,0,0,0,0|2,0,0]=4 1335 B10R1.20 COc1ncccc1SC 62a_200000210301_100000047025 [1,1,0,0,0,0|2,0,0]=4 1336 B10R1.20 COc1ncccc1S[13CH3] 62a_100000047025_200025704644 [1,1,0,0,0,0|2,0,0]=4 1337 B10R1.20 COc1ncccc1S[13CH3] 62a_200025704644_100000047025 [1,1,0,0,0,0|2,0,0]=4 1338 B10R1.20 COc1nccnc1SC 62a_100009858322_200000210301 [1,1,0,0,0,0|1,0,0]=3 1339 B10R1.20 COc1nccnc1SC 62a_200000210301_100000749998 [1,1,0,0,0,0|1,0,0]=3 1340 B10R1.20 COc1nccnc1S[13CH3] 62a_100009858322_200025704644 [1,1,0,0,0,0|1,0,0]=3 1341 B10R1.20 COc1nccnc1S[13CH3] 62a_200025704644_100000749998 [1,1,0,0,0,0|1,0,0]=3 1342 B10R1.20 CSc1ccccc1C=O 62a_100000210073_200000210301 [1,1,0,0,0,0|2,0,0]=4 1343 B10R1.20 CSc1ccccc1C=O 62a_200000210301_100000210073 [1,1,0,0,0,0|2,0,0]=4 1344 B10R1.20 CSc1cccnc1C=O 62a_100011934733_200000210301 [1,1,0,0,0,0|1,0,0]=3 1345 B10R1.20 CSc1cccnc1C=O 62a_200000210301_100011934733 [1,1,0,0,0,0|1,0,0]=3 1346 B10R1.20 CSc1cccnc1CN 62a_100020591323_200000210301 [1,1,0,0,0,0|2,0,0]=4 1347 B10R1.20 CSc1cccnc1CN 62a_200000210301_100020591323 [1,1,0,0,0,0|2,0,0]=4 1348 B10R1.20 CSc1cccnc1CO 62a_100011996772_200000210301 [1,1,0,0,0,0|2,0,0]=4 1349 B10R1.20 CSc1cccnc1CO 62a_200000210301_100011996772 [1,1,0,0,0,0|2,0,0]=4 1350 B10R1.20 CSc1cccnc1SC 62a_100011465278_200000210301 [1,1,0,0,0,0|2,0,0]=4 1351 B10R1.20 CSc1cccnc1SC 62a_200000210301_100011465278 [1,1,0,0,0,0|2,0,0]=4 1352 B10R1.20 CSc1ncccc1C=O 62a_100009816751_200000210301 [1,1,0,0,0,0|1,0,0]=3 1353 B10R1.20 CSc1ncccc1C=O 62a_200000210301_100009816751 [1,1,0,0,0,0|1,0,0]=3 1354 B10R1.20 CSc1ncccc1CN 62a_100015189234_200000210301 [1,1,0,0,0,0|2,0,0]=4 1355 B10R1.20 CSc1ncccc1CN 62a_200000210301_100015189234 [1,1,0,0,0,0|2,0,0]=4 1356 B10R1.20 CSc1ncccc1CO 62a_100000748726_200000210301 [1,1,0,0,0,0|2,0,0]=4 1357 B10R1.20 CSc1ncccc1CO 62a_200000210301_100000748726 [1,1,0,0,0,0|2,0,0]=4 1358 B10R1.20 CSc1ncccc1S[13CH3] 62a_100011465278_200025704644 [1,1,0,0,0,0|2,0,0]=4 1359 B10R1.20 CSc1ncccc1S[13CH3] 62a_200025704644_100011465278 [1,1,0,0,0,0|2,0,0]=4 1360 B10R1.20 CSc1nccnc1C#N 62a_200000210301_100000040484 [1,1,0,0,0,0|1,0,1]=4 1361 B10R1.20 CSc1nccnc1C=O 62a_100000051000_200000210301 [1,1,0,0,0,0|0,0,0]=2 1362 B10R1.20 CSc1nccnc1C=O 62a_200000210301_100000051000 [1,1,0,0,0,0|0,0,0]=2 1363 B10R1.20 CSc1nccnc1CN 62a_100000729963_200000210301 [1,1,0,0,0,0|1,0,0]=3 1364 B10R1.20 CSc1nccnc1CN 62a_200000210301_100000729963 [1,1,0,0,0,0|1,0,0]=3 1365 B10R1.20 CSc1nccnc1CO 62a_100000057004_200000210301 [1,1,0,0,0,0|1,0,0]=3 1366 B10R1.20 CSc1nccnc1CO 62a_200000210301_100000057004 [1,1,0,0,0,0|1,0,0]=3 1367 B10R1.20 CSc1nccnc1NN 62a_200000210301_100000755098 [1,1,0,0,0,0|2,0,0]=4 1368 B10R1.20 [13CH3]Oc1cccnc1CBr 34a_200020655725_200025704644 [1,1,0,0,0,0|2,0,0]=4 1369 B10R1.20 [13CH3]Oc1cccnc1CBr 7a_200020655725_200025704644 [1,1,0,0,0,0|2,0,0]=4 1370 B10R1.20 [13CH3]Oc1cccnc1CO 34a_100000731849_200025704644 [1,1,0,0,0,0|2,0,0]=4 1371 B10R1.20 [13CH3]Sc1ccccc1C=O 62a_100000210073_200025704644 [1,1,0,0,0,0|2,0,0]=4 1372 B10R1.20 [13CH3]Sc1ccccc1C=O 62a_200025704644_100000210073 [1,1,0,0,0,0|2,0,0]=4 1373 B10R1.20 [13CH3]Sc1cccnc1C=O 62a_100011934733_200025704644 [1,1,0,0,0,0|1,0,0]=3 1374 B10R1.20 [13CH3]Sc1cccnc1C=O 62a_200025704644_100011934733 [1,1,0,0,0,0|1,0,0]=3 1375 B10R1.20 [13CH3]Sc1cccnc1CN 62a_100020591323_200025704644 [1,1,0,0,0,0|2,0,0]=4 1376 B10R1.20 [13CH3]Sc1cccnc1CN 62a_200025704644_100020591323 [1,1,0,0,0,0|2,0,0]=4 1377 B10R1.20 [13CH3]Sc1cccnc1CO 62a_100011996772_200025704644 [1,1,0,0,0,0|2,0,0]=4 1378 B10R1.20 [13CH3]Sc1cccnc1CO 62a_200025704644_100011996772 [1,1,0,0,0,0|2,0,0]=4 1379 B10R1.20 [13CH3]Sc1ncccc1C=O 62a_100009816751_200025704644 [1,1,0,0,0,0|1,0,0]=3 1380 B10R1.20 [13CH3]Sc1ncccc1C=O 62a_200025704644_100009816751 [1,1,0,0,0,0|1,0,0]=3 1381 B10R1.20 [13CH3]Sc1ncccc1CN 62a_100015189234_200025704644 [1,1,0,0,0,0|2,0,0]=4 1382 B10R1.20 [13CH3]Sc1ncccc1CN 62a_200025704644_100015189234 [1,1,0,0,0,0|2,0,0]=4 1383 B10R1.20 [13CH3]Sc1ncccc1CO 62a_100000748726_200025704644 [1,1,0,0,0,0|2,0,0]=4 1384 B10R1.20 [13CH3]Sc1ncccc1CO 62a_200025704644_100000748726 [1,1,0,0,0,0|2,0,0]=4 1385 B10R1.20 [13CH3]Sc1nccnc1C#N 62a_200025704644_100000040484 [1,1,0,0,0,0|1,0,1]=4 1386 B10R1.20 [13CH3]Sc1nccnc1C=O 62a_100000051000_200025704644 [1,1,0,0,0,0|0,0,0]=2 1387 B10R1.20 [13CH3]Sc1nccnc1C=O 62a_200025704644_100000051000 [1,1,0,0,0,0|0,0,0]=2 1388 B10R1.20 [13CH3]Sc1nccnc1CN 62a_100000729963_200025704644 [1,1,0,0,0,0|1,0,0]=3 1389 B10R1.20 [13CH3]Sc1nccnc1CN 62a_200025704644_100000729963 [1,1,0,0,0,0|1,0,0]=3 1390 B10R1.20 [13CH3]Sc1nccnc1CO 62a_100000057004_200025704644 [1,1,0,0,0,0|1,0,0]=3 1391 B10R1.20 [13CH3]Sc1nccnc1CO 62a_200025704644_100000057004 [1,1,0,0,0,0|1,0,0]=3 1392 B10R1.20 [13CH3]Sc1nccnc1NN 62a_200025704644_100000755098 [1,1,0,0,0,0|2,0,0]=4 1393 B10R1.25 C=Cc1ccc(nc1C)C 271570a_100011290941_100009813853 [1,1,0,0,0,0|1,0,1]=4 1394 B10R1.25 C=Cc1ccc(nc1C)Cl 271570a_100011290941_100000062408 [1,1,0,0,0,0|1,0,1]=4 1395 B10R1.25 C=Cc1ccc(nc1C)F 271570a_100011290941_100000688911 [1,1,0,0,0,0|1,0,1]=4 1396 B10R1.25 C=Cc1ccc(nc1C)N 271570a_100011290941_100000013003 [1,1,0,0,0,0|1,0,1]=4 1397 B10R1.25 C=Cc1ccc(nc1C)O 271570a_100011290941_100000691680 [1,1,0,0,0,0|1,0,1]=4 1398 B10R1.25 C=Cc1ncc(cc1C)Br 271570a_100011290941_100012353652 [1,1,0,0,0,0|1,0,1]=4 1399 B10R1.25 C=Cc1ncc(cc1C)C 271570a_100011290941_100009864548 [1,1,0,0,0,0|1,0,1]=4 1400 B10R1.25 C=Cc1ncc(cc1C)F 271570a_100011290941_100009817009 [1,1,0,0,0,0|1,0,1]=4 1401 B10R1.25 C=Cc1ncc(cc1C)N 271570a_100011290941_100000761747 [1,1,0,0,0,0|1,0,1]=4 1402 B10R1.25 C=Cc1ncc(cc1C)O 271570a_100011290941_100012000486 [1,1,0,0,0,0|1,0,1]=4 1403 B10R1.25 C=Cc1ncc(nc1C)C 271570a_100011290941_100000065684 [1,1,0,0,0,0|0,0,1]=3 1404 B10R1.25 C=Cc1ncc(nc1C)N 271570a_100011290941_100009818570 [1,1,0,0,0,0|0,0,1]=3 1405 B10R1.25 CNc1ncc(cc1C)O 271570a_203496583355_100012357622 [1,1,0,0,0,0|2,0,0]=4 1406 B10R1.25 COc1ccc(nc1C)Br 34a_100012002022_200000210301 [1,1,0,0,0,0|2,0,0]=4 1407 B10R1.25 COc1ccc(nc1C)Br 7a_100012002022_200000210301 [1,1,0,0,0,0|2,0,0]=4 1408 B10R1.25 COc1ccc(nc1C)C 34a_100011218912_200000210301 [1,1,0,0,0,0|2,0,0]=4 1409 B10R1.25 COc1ccc(nc1C)C 7a_100011218912_200000210301 [1,1,0,0,0,0|2,0,0]=4 1410 B10R1.25 COc1ccc(nc1C)Cl 34a_100012184626_200000210301 [1,1,0,0,0,0|2,0,0]=4 1411 B10R1.25 COc1ccc(nc1C)Cl 7a_100012184626_200000210301 [1,1,0,0,0,0|2,0,0]=4 1412 B10R1.25 COc1ccc(nc1C)F 34a_100009881036_200000210301 [1,1,0,0,0,0|2,0,0]=4 1413 B10R1.25 COc1ccc(nc1C)F 7a_100009881036_200000210301 [1,1,0,0,0,0|2,0,0]=4 1414 B10R1.25 COc1ccc(nc1C)I 34a_100010233687_200000210301 [1,1,0,0,0,0|2,0,0]=4 1415 B10R1.25 COc1ccc(nc1C)I 7a_100010233687_200000210301 [1,1,0,0,0,0|2,0,0]=4 1416 B10R1.25 COc1ccc(nc1C)O 271570a_203496583355_100010244750 [1,1,0,0,0,0|2,0,0]=4 1417 B10R1.25 COc1ncc(cc1C)Br 34a_100000685391_200000210301 [1,1,0,0,0,0|2,0,0]=4 1418 B10R1.25 COc1ncc(cc1C)O 271570a_203496583355_100011290809 [1,1,0,0,0,0|2,0,0]=4 1419 B10R1.25 COc1ncc(nc1Cl)Br 34a_100010734560_200000210301 [1,1,0,0,0,0|2,0,0]=4 1420 B10R1.25 CSc1ccc(nc1C)C 62a_100009813853_200000210301 [1,1,0,0,0,0|2,0,0]=4 1421 B10R1.25 CSc1ccc(nc1C)C 62a_200000210301_100009813853 [1,1,0,0,0,0|2,0,0]=4 1422 B10R1.25 CSc1ccc(nc1C)Cl 62a_100000062408_200000210301 [1,1,0,0,0,0|2,0,0]=4 1423 B10R1.25 CSc1ccc(nc1C)Cl 62a_200000210301_100000062408 [1,1,0,0,0,0|2,0,0]=4 1424 B10R1.25 CSc1ccc(nc1C)F 62a_100000688911_200000210301 [1,1,0,0,0,0|2,0,0]=4 1425 B10R1.25 CSc1ccc(nc1C)F 62a_200000210301_100000688911 [1,1,0,0,0,0|2,0,0]=4 1426 B10R1.25 CSc1ccc(nc1C)N 62a_100000187202_200000210301 [1,1,0,0,0,0|2,0,0]=4 1427 B10R1.25 CSc1ccc(nc1C)N 62a_200000210301_100000187202 [1,1,0,0,0,0|2,0,0]=4 1428 B10R1.25 CSc1ccc(nc1C)O 62a_100000691680_200000210301 [1,1,0,0,0,0|2,0,0]=4 1429 B10R1.25 CSc1ccc(nc1C)O 62a_200000210301_100000691680 [1,1,0,0,0,0|2,0,0]=4 1430 B10R1.25 CSc1ncc(cc1C)Br 62a_100012353652_200000210301 [1,1,0,0,0,0|2,0,0]=4 1431 B10R1.25 CSc1ncc(cc1C)Br 62a_200000210301_100012353652 [1,1,0,0,0,0|2,0,0]=4 1432 B10R1.25 CSc1ncc(cc1C)C 62a_100009864548_200000210301 [1,1,0,0,0,0|2,0,0]=4 1433 B10R1.25 CSc1ncc(cc1C)C 62a_200000210301_100009864548 [1,1,0,0,0,0|2,0,0]=4 1434 B10R1.25 CSc1ncc(cc1C)F 62a_100009817009_200000210301 [1,1,0,0,0,0|2,0,0]=4 1435 B10R1.25 CSc1ncc(cc1C)F 62a_200000210301_100009817009 [1,1,0,0,0,0|2,0,0]=4 1436 B10R1.25 CSc1ncc(cc1C)N 62a_100000761747_200000210301 [1,1,0,0,0,0|2,0,0]=4 1437 B10R1.25 CSc1ncc(cc1C)N 62a_200000210301_100000761747 [1,1,0,0,0,0|2,0,0]=4 1438 B10R1.25 CSc1ncc(cc1C)O 62a_100012000486_200000210301 [1,1,0,0,0,0|2,0,0]=4 1439 B10R1.25 CSc1ncc(cc1C)O 62a_200000210301_100012000486 [1,1,0,0,0,0|2,0,0]=4 1440 B10R1.25 CSc1ncc(nc1Br)Br 62a_100010235571_200000210301 [1,1,0,0,0,0|2,0,0]=4 1441 B10R1.25 CSc1ncc(nc1Br)Br 62a_200000210301_100010235571 [1,1,0,0,0,0|2,0,0]=4 1442 B10R1.25 CSc1ncc(nc1C)C 62a_100000065684_200000210301 [1,1,0,0,0,0|1,0,0]=3 1443 B10R1.25 CSc1ncc(nc1C)C 62a_200000210301_100000065684 [1,1,0,0,0,0|1,0,0]=3 1444 B10R1.25 CSc1ncc(nc1C)N 62a_100009818570_200000210301 [1,1,0,0,0,0|1,0,0]=3 1445 B10R1.25 CSc1ncc(nc1C)N 62a_200000210301_100009818570 [1,1,0,0,0,0|1,0,0]=3 1446 B10R1.25 CSc1ncc(nc1Cl)Cl 62a_200000210301_100010173851 [1,1,0,0,0,0|2,0,0]=4 1447 B10R1.25 CSc1ncc(nc1Cl)N 62a_100010116657_200000210301 [1,1,0,0,0,0|2,0,0]=4 1448 B10R1.25 CSc1ncc(nc1Cl)N 62a_200000210301_100010116657 [1,1,0,0,0,0|2,0,0]=4 1449 B10R1.25 Cc1cc(ccc1C=O)O 271570a_203496583355_100000687586 [1,1,0,0,0,0|2,0,0]=4 1450 B10R1.25 Cc1cc(cnc1C=O)O 271570a_203496583355_100010185443 [1,1,0,0,0,0|1,0,0]=3 1451 B10R1.25 Cc1cc(cnc1O[13CH3])Br 34a_100000685391_200025704644 [1,1,0,0,0,0|2,0,0]=4 1452 B10R1.25 Cc1cc(cnc1S[13CH3])Br 62a_100012353652_200025704644 [1,1,0,0,0,0|2,0,0]=4 1453 B10R1.25 Cc1cc(cnc1S[13CH3])Br 62a_200025704644_100012353652 [1,1,0,0,0,0|2,0,0]=4 1454 B10R1.25 Cc1cc(cnc1S[13CH3])F 62a_100009817009_200025704644 [1,1,0,0,0,0|2,0,0]=4 1455 B10R1.25 Cc1cc(cnc1S[13CH3])F 62a_200025704644_100009817009 [1,1,0,0,0,0|2,0,0]=4 1456 B10R1.25 Cc1cc(cnc1S[13CH3])N 62a_100000761747_200025704644 [1,1,0,0,0,0|2,0,0]=4 1457 B10R1.25 Cc1cc(cnc1S[13CH3])N 62a_200025704644_100000761747 [1,1,0,0,0,0|2,0,0]=4 1458 B10R1.25 Cc1cc(cnc1S[13CH3])O 62a_100012000486_200025704644 [1,1,0,0,0,0|2,0,0]=4 1459 B10R1.25 Cc1cc(cnc1S[13CH3])O 62a_200025704644_100012000486 [1,1,0,0,0,0|2,0,0]=4 1460 B10R1.25 Cc1ccc(c(n1)C)O[13CH3] 34a_100011218912_200025704644 [1,1,0,0,0,0|2,0,0]=4 1461 B10R1.25 Cc1ccc(c(n1)C)O[13CH3] 7a_100011218912_200025704644 [1,1,0,0,0,0|2,0,0]=4 1462 B10R1.25 Cc1ccc(c(n1)C)S[13CH3] 62a_100009813853_200025704644 [1,1,0,0,0,0|2,0,0]=4 1463 B10R1.25 Cc1ccc(c(n1)C)S[13CH3] 62a_200025704644_100009813853 [1,1,0,0,0,0|2,0,0]=4 1464 B10R1.25 Cc1ccc(c(n1)O)C=O 271570a_203496583355_100000085379 [1,1,0,0,0,0|2,0,0]=4 1465 B10R1.25 Cc1cnc(c(c1)C)S[13CH3] 62a_100009864548_200025704644 [1,1,0,0,0,0|2,0,0]=4 1466 B10R1.25 Cc1cnc(c(c1)C)S[13CH3] 62a_200025704644_100009864548 [1,1,0,0,0,0|2,0,0]=4 1467 B10R1.25 Cc1cnc(c(n1)C)S[13CH3] 62a_100000065684_200025704644 [1,1,0,0,0,0|1,0,0]=3 1468 B10R1.25 Cc1cnc(c(n1)C)S[13CH3] 62a_200025704644_100000065684 [1,1,0,0,0,0|1,0,0]=3 1469 B10R1.25 Cc1nc(ccc1C=O)O 271570a_203496583355_100000050599 [1,1,0,0,0,0|1,0,0]=3 1470 B10R1.25 Cc1nc(ccc1O[13CH3])Br 34a_100012002022_200025704644 [1,1,0,0,0,0|2,0,0]=4 1471 B10R1.25 Cc1nc(ccc1O[13CH3])Br 7a_100012002022_200025704644 [1,1,0,0,0,0|2,0,0]=4 1472 B10R1.25 Cc1nc(ccc1O[13CH3])Cl 34a_100012184626_200025704644 [1,1,0,0,0,0|2,0,0]=4 1473 B10R1.25 Cc1nc(ccc1O[13CH3])Cl 7a_100012184626_200025704644 [1,1,0,0,0,0|2,0,0]=4 1474 B10R1.25 Cc1nc(ccc1O[13CH3])F 34a_100009881036_200025704644 [1,1,0,0,0,0|2,0,0]=4 1475 B10R1.25 Cc1nc(ccc1O[13CH3])F 7a_100009881036_200025704644 [1,1,0,0,0,0|2,0,0]=4 1476 B10R1.25 Cc1nc(ccc1O[13CH3])I 34a_100010233687_200025704644 [1,1,0,0,0,0|2,0,0]=4 1477 B10R1.25 Cc1nc(ccc1O[13CH3])I 7a_100010233687_200025704644 [1,1,0,0,0,0|2,0,0]=4 1478 B10R1.25 Cc1nc(ccc1S[13CH3])Cl 62a_100000062408_200025704644 [1,1,0,0,0,0|2,0,0]=4 1479 B10R1.25 Cc1nc(ccc1S[13CH3])Cl 62a_200025704644_100000062408 [1,1,0,0,0,0|2,0,0]=4 1480 B10R1.25 Cc1nc(ccc1S[13CH3])F 62a_100000688911_200025704644 [1,1,0,0,0,0|2,0,0]=4 1481 B10R1.25 Cc1nc(ccc1S[13CH3])F 62a_200025704644_100000688911 [1,1,0,0,0,0|2,0,0]=4 1482 B10R1.25 Cc1nc(ccc1S[13CH3])N 62a_100000187202_200025704644 [1,1,0,0,0,0|2,0,0]=4 1483 B10R1.25 Cc1nc(ccc1S[13CH3])N 62a_200025704644_100000187202 [1,1,0,0,0,0|2,0,0]=4 1484 B10R1.25 Cc1nc(ccc1S[13CH3])O 62a_100000691680_200025704644 [1,1,0,0,0,0|2,0,0]=4 1485 B10R1.25 Cc1nc(ccc1S[13CH3])O 62a_200025704644_100000691680 [1,1,0,0,0,0|2,0,0]=4 1486 B10R1.25 Cc1nc(cnc1S[13CH3])N 62a_100009818570_200025704644 [1,1,0,0,0,0|1,0,0]=3 1487 B10R1.25 Cc1nc(cnc1S[13CH3])N 62a_200025704644_100009818570 [1,1,0,0,0,0|1,0,0]=3 1488 B10R1.25 O=Cc1ccc(nc1F)O 271570a_203496583355_100010064369 [1,1,0,0,0,0|2,0,0]=4 1489 B10R1.25 O=Cc1ccc(nc1O)F 271570a_203496583355_100009846357 [1,1,0,0,0,0|2,0,0]=4 1490 B10R1.25 O=Cc1ncc(cc1F)O 271570a_203496583355_100010180630 [1,1,0,0,0,0|2,0,0]=4 1491 B10R1.25 [13CH3]Oc1ncc(nc1Cl)Br 34a_100010734560_200025704644 [1,1,0,0,0,0|2,0,0]=4 1492 B10R1.25 [13CH3]Sc1ncc(nc1Br)Br 62a_100010235571_200025704644 [1,1,0,0,0,0|2,0,0]=4 1493 B10R1.25 [13CH3]Sc1ncc(nc1Br)Br 62a_200025704644_100010235571 [1,1,0,0,0,0|2,0,0]=4 1494 B10R1.25 [13CH3]Sc1ncc(nc1Cl)Cl 62a_200025704644_100010173851 [1,1,0,0,0,0|2,0,0]=4 1495 B10R1.25 [13CH3]Sc1ncc(nc1Cl)N 62a_100010116657_200025704644 [1,1,0,0,0,0|2,0,0]=4 1496 B10R1.25 [13CH3]Sc1ncc(nc1Cl)N 62a_200025704644_100010116657 [1,1,0,0,0,0|2,0,0]=4 1497 B10R1.30 C=Cc1cc(cnc1C)Br 271570a_100011290941_200010090566 [1,1,0,0,0,0|1,0,1]=4 1498 B10R1.30 C=Cc1cc(cnc1C)C 271570a_100011290941_100009817436 [1,1,0,0,0,0|1,0,1]=4 1499 B10R1.30 C=Cc1cc(cnc1C)F 271570a_100011290941_100009860710 [1,1,0,0,0,0|1,0,1]=4 1500 B10R1.30 C=Cc1cc(cnc1C)N 271570a_100011290941_100011998591 [1,1,0,0,0,0|1,0,1]=4 1501 B10R1.30 C=Cc1cc(cnc1C)O 271570a_100011290941_100009819603 [1,1,0,0,0,0|1,0,1]=4 1502 B10R1.30 C=Cc1nc(ccc1C)C 271570a_100011290941_100009854376 [1,1,0,0,0,0|1,0,1]=4 1503 B10R1.30 C=Cc1nc(ccc1C)N 271570a_100011290941_100000126722 [1,1,0,0,0,0|1,0,1]=4 1504 B10R1.30 C=Cc1nc(cnc1C)C 271570a_100011290941_100000211308 [1,1,0,0,0,0|0,0,1]=3 1505 B10R1.30 C=Cc1nc(cnc1C)N 271570a_100011290941_100009877824 [1,1,0,0,0,0|0,0,1]=3 1506 B10R1.30 C=Cc1nc(cnc1N)Br 271570a_100011290941_100010988662 [1,1,0,0,0,0|1,0,1]=4 1507 B10R1.30 C=Cc1nc(cnc1N)C 271570a_100011290941_100009819049 [1,1,0,0,0,0|1,0,1]=4 1508 B10R1.30 CNc1nc(cnc1C)C 27a_100102657272_100000211308 [1,1,0,0,0,0|1,0,0]=3 1509 B10R1.30 COc1cc(cnc1C)Br 34a_100009864810_200000210301 [1,1,0,0,0,0|2,0,0]=4 1510 B10R1.30 COc1cc(cnc1C)Br 7a_100009864810_200000210301 [1,1,0,0,0,0|2,0,0]=4 1511 B10R1.30 COc1cc(cnc1C)O 271570a_203496583355_100010254219 [1,1,0,0,0,0|2,0,0]=4 1512 B10R1.30 COc1nc(cnc1N)O 271570a_203496583355_100009816943 [1,1,0,0,0,0|2,0,0]=4 1513 B10R1.30 COc1nc(cnc1O)Br 271570a_203496583355_100010214903 [1,1,0,0,0,0|2,0,0]=4 1514 B10R1.30 COc1nc(cnc1O)N 271570a_203496583355_100010128448 [1,1,0,0,0,0|2,0,0]=4 1515 B10R1.30 COc1nc(cnc1O)O 271570a_203496583355_200010365344 [1,1,0,0,0,0|2,0,0]=4 1516 B10R1.30 CSc1cc(cnc1C)Br 62a_200000210301_200010090566 [1,1,0,0,0,0|2,0,0]=4 1517 B10R1.30 CSc1cc(cnc1C)Br 62a_200010090566_200000210301 [1,1,0,0,0,0|2,0,0]=4 1518 B10R1.30 CSc1cc(cnc1C)C 62a_100009817436_200000210301 [1,1,0,0,0,0|2,0,0]=4 1519 B10R1.30 CSc1cc(cnc1C)C 62a_200000210301_100009817436 [1,1,0,0,0,0|2,0,0]=4 1520 B10R1.30 CSc1cc(cnc1C)F 62a_100009860710_200000210301 [1,1,0,0,0,0|2,0,0]=4 1521 B10R1.30 CSc1cc(cnc1C)F 62a_200000210301_100009860710 [1,1,0,0,0,0|2,0,0]=4 1522 B10R1.30 CSc1cc(cnc1C)N 62a_100011998591_200000210301 [1,1,0,0,0,0|2,0,0]=4 1523 B10R1.30 CSc1cc(cnc1C)N 62a_200000210301_100011998591 [1,1,0,0,0,0|2,0,0]=4 1524 B10R1.30 CSc1cc(cnc1C)O 62a_100009819603_200000210301 [1,1,0,0,0,0|2,0,0]=4 1525 B10R1.30 CSc1cc(cnc1C)O 62a_200000210301_100009819603 [1,1,0,0,0,0|2,0,0]=4 1526 B10R1.30 CSc1nc(ccc1C)C 62a_100009854376_200000210301 [1,1,0,0,0,0|2,0,0]=4 1527 B10R1.30 CSc1nc(ccc1C)C 62a_200000210301_100009854376 [1,1,0,0,0,0|2,0,0]=4 1528 B10R1.30 CSc1nc(ccc1C)N 62a_100000126722_200000210301 [1,1,0,0,0,0|2,0,0]=4 1529 B10R1.30 CSc1nc(ccc1C)N 62a_200000210301_100000126722 [1,1,0,0,0,0|2,0,0]=4 1530 B10R1.30 CSc1nc(cnc1C)C 62a_100000211308_200000210301 [1,1,0,0,0,0|1,0,0]=3 1531 B10R1.30 CSc1nc(cnc1C)C 62a_200000210301_100000211308 [1,1,0,0,0,0|1,0,0]=3 1532 B10R1.30 CSc1nc(cnc1C)N 62a_100009877824_200000210301 [1,1,0,0,0,0|1,0,0]=3 1533 B10R1.30 CSc1nc(cnc1C)N 62a_200000210301_100009877824 [1,1,0,0,0,0|1,0,0]=3 1534 B10R1.30 CSc1nc(cnc1N)Br 62a_100010988662_200000210301 [1,1,0,0,0,0|2,0,0]=4 1535 B10R1.30 CSc1nc(cnc1N)Br 62a_200000210301_100010988662 [1,1,0,0,0,0|2,0,0]=4 1536 B10R1.30 CSc1nc(cnc1N)C 62a_100009819049_200000210301 [1,1,0,0,0,0|2,0,0]=4 1537 B10R1.30 CSc1nc(cnc1N)C 62a_200000210301_100009819049 [1,1,0,0,0,0|2,0,0]=4 1538 B10R1.30 Cc1ccc(c(n1)C=O)O 271570a_203496583355_100010173661 [1,1,0,0,0,0|2,0,0]=4 1539 B10R1.30 Cc1ccc(c(n1)S[13CH3])C 62a_100009854376_200025704644 [1,1,0,0,0,0|2,0,0]=4 1540 B10R1.30 Cc1ccc(c(n1)S[13CH3])C 62a_200025704644_100009854376 [1,1,0,0,0,0|2,0,0]=4 1541 B10R1.30 Cc1ccc(cc1C=O)O 271570a_203496583355_100011361606 [1,1,0,0,0,0|2,0,0]=4 1542 B10R1.30 Cc1ccc(nc1S[13CH3])N 62a_100000126722_200025704644 [1,1,0,0,0,0|2,0,0]=4 1543 B10R1.30 Cc1ccc(nc1S[13CH3])N 62a_200025704644_100000126722 [1,1,0,0,0,0|2,0,0]=4 1544 B10R1.30 Cc1cnc(c(c1)C=O)O 271570a_203496583355_100000050350 [1,1,0,0,0,0|2,0,0]=4 1545 B10R1.30 Cc1cnc(c(c1)S[13CH3])C 62a_100009817436_200025704644 [1,1,0,0,0,0|2,0,0]=4 1546 B10R1.30 Cc1cnc(c(c1)S[13CH3])C 62a_200025704644_100009817436 [1,1,0,0,0,0|2,0,0]=4 1547 B10R1.30 Cc1cnc(c(n1)S[13CH3])C 62a_100000211308_200025704644 [1,1,0,0,0,0|1,0,0]=3 1548 B10R1.30 Cc1cnc(c(n1)S[13CH3])C 62a_200025704644_100000211308 [1,1,0,0,0,0|1,0,0]=3 1549 B10R1.30 Cc1cnc(c(n1)S[13CH3])N 62a_100009819049_200025704644 [1,1,0,0,0,0|2,0,0]=4 1550 B10R1.30 Cc1cnc(c(n1)S[13CH3])N 62a_200025704644_100009819049 [1,1,0,0,0,0|2,0,0]=4 1551 B10R1.30 Cc1ncc(cc1O[13CH3])Br 34a_100009864810_200025704644 [1,1,0,0,0,0|2,0,0]=4 1552 B10R1.30 Cc1ncc(cc1O[13CH3])Br 7a_100009864810_200025704644 [1,1,0,0,0,0|2,0,0]=4 1553 B10R1.30 Cc1ncc(cc1S[13CH3])Br 62a_200010090566_200025704644 [1,1,0,0,0,0|2,0,0]=4 1554 B10R1.30 Cc1ncc(cc1S[13CH3])Br 62a_200025704644_200010090566 [1,1,0,0,0,0|2,0,0]=4 1555 B10R1.30 Cc1ncc(cc1S[13CH3])F 62a_100009860710_200025704644 [1,1,0,0,0,0|2,0,0]=4 1556 B10R1.30 Cc1ncc(cc1S[13CH3])F 62a_200025704644_100009860710 [1,1,0,0,0,0|2,0,0]=4 1557 B10R1.30 Cc1ncc(cc1S[13CH3])N 62a_100011998591_200025704644 [1,1,0,0,0,0|2,0,0]=4 1558 B10R1.30 Cc1ncc(cc1S[13CH3])N 62a_200025704644_100011998591 [1,1,0,0,0,0|2,0,0]=4 1559 B10R1.30 Cc1ncc(cc1S[13CH3])O 62a_100009819603_200025704644 [1,1,0,0,0,0|2,0,0]=4 1560 B10R1.30 Cc1ncc(cc1S[13CH3])O 62a_200025704644_100009819603 [1,1,0,0,0,0|2,0,0]=4 1561 B10R1.30 Cc1ncc(nc1S[13CH3])N 62a_100009877824_200025704644 [1,1,0,0,0,0|1,0,0]=3 1562 B10R1.30 Cc1ncc(nc1S[13CH3])N 62a_200025704644_100009877824 [1,1,0,0,0,0|1,0,0]=3 1563 B10R1.30 Nc1ncc(cc1C=O)O 271570a_203496583355_100009814808 [1,1,0,0,0,0|2,0,0]=4 1564 B10R1.30 O=Cc1cc(cnc1F)O 271570a_203496583355_100009814789 [1,1,0,0,0,0|2,0,0]=4 1565 B10R1.30 O=Cc1cc(cnc1O)F 271570a_203496583355_100000079965 [1,1,0,0,0,0|2,0,0]=4 1566 B10R1.30 O=Cc1nc(ccc1F)O 271570a_203496583355_100009814804 [1,1,0,0,0,0|2,0,0]=4 1567 B10R1.30 [13CH3]Sc1nc(cnc1N)Br 62a_100010988662_200025704644 [1,1,0,0,0,0|2,0,0]=4 1568 B10R1.30 [13CH3]Sc1nc(cnc1N)Br 62a_200025704644_100010988662 [1,1,0,0,0,0|2,0,0]=4 1569 B10R1.245 C=Cc1c(ccnc1C)C 271570a_100011290941_100012000501 [1,1,0,0,0,0|1,0,1]=4 1570 B10R1.245 C=Cc1c(ccnc1C)N 271570a_100011290941_100010243816 [1,1,0,0,0,0|1,0,1]=4 1571 B10R1.245 COc1c(ccnc1C)C 34a_100011934651_200000210301 [1,1,0,0,0,0|2,0,0]=4 1572 B10R1.245 COc1c(ccnc1C)C 7a_100011934651_200000210301 [1,1,0,0,0,0|2,0,0]=4 1573 B10R1.245 COc1c(ccnc1C)O 271570a_203496583355_100000685116 [1,1,0,0,0,0|2,0,0]=4 1574 B10R1.245 CSc1c(ccnc1C)C 62a_100012000501_200000210301 [1,1,0,0,0,0|2,0,0]=4 1575 B10R1.245 CSc1c(ccnc1C)C 62a_200000210301_100012000501 [1,1,0,0,0,0|2,0,0]=4 1576 B10R1.245 CSc1c(ccnc1C)N 62a_100010243816_200000210301 [1,1,0,0,0,0|2,0,0]=4 1577 B10R1.245 CSc1c(ccnc1C)N 62a_200000210301_100010243816 [1,1,0,0,0,0|2,0,0]=4 1578 B10R1.245 Cc1cccc(c1C=O)O 271570a_203496583355_100000041122 [1,1,0,0,0,0|2,0,0]=4 1579 B10R1.245 Cc1ccnc(c1O[13CH3])C 34a_100011934651_200025704644 [1,1,0,0,0,0|2,0,0]=4 1580 B10R1.245 Cc1ccnc(c1O[13CH3])C 7a_100011934651_200025704644 [1,1,0,0,0,0|2,0,0]=4 1581 B10R1.245 Cc1ccnc(c1S[13CH3])C 62a_100012000501_200025704644 [1,1,0,0,0,0|2,0,0]=4 1582 B10R1.245 Cc1ccnc(c1S[13CH3])C 62a_200025704644_100012000501 [1,1,0,0,0,0|2,0,0]=4 1583 B10R1.245 Cc1nccc(c1S[13CH3])N 62a_100010243816_200025704644 [1,1,0,0,0,0|2,0,0]=4 1584 B10R1.245 Cc1nccc(c1S[13CH3])N 62a_200025704644_100010243816 [1,1,0,0,0,0|2,0,0]=4 1585 B10R1.245 Nc1nccc(c1C=O)O 271570a_203496583355_100009843235 [1,1,0,0,0,0|2,0,0]=4 1586 B10R1.245 O=Cc1c(ccnc1Cl)O 271570a_203496583355_100000047006 [1,1,0,0,0,0|2,0,0]=4 1587 B10R1.245 O=Cc1c(ccnc1F)O 271570a_203496583355_100009828249 [1,1,0,0,0,0|2,0,0]=4 1588 B10R1.245 O=Cc1c(ccnc1O)O 271570a_203496583355_200010729673 [1,1,0,0,0,0|2,0,0]=4 1589 B10R1.39 C=C(C)c1c[nH]nc1OC 271570a_100000694244_100010982843 [0,1,0,0,1,0|2,0,0]=4 1590 B10R1.39 C=C(C)c1ccnn1CC 271570a_100000694244_100000728327 [0,1,0,0,1,0|2,0,0]=4 1591 B10R1.39 C=C(C)c1ccsc1CO 271570a_100000694244_100000702026 [0,1,0,0,1,0|2,0,0]=4 1592 B10R1.39 C=C(C)c1ccsc1SC 271570a_100000694244_200010341309 [0,1,0,0,1,0|2,0,0]=4 1593 B10R1.39 C=C(C)c1nccn1CC 271570a_100000694244_100011617267 [0,1,0,0,1,0|2,0,0]=4 1594 B10R1.39 C=C(C)c1ncnn1CC 271570a_100000694244_100009879425 [0,1,0,0,1,0|2,0,0]=4 1595 B10R1.39 C=C(C)c1ncsc1CO 271570a_100000694244_100012000948 [0,1,0,0,1,0|2,0,0]=4 1596 B10R1.39 C=C(C)c1sccc1CC 271570a_100000694244_200009875468 [0,1,0,0,1,0|2,0,0]=4 1597 B10R1.39 C=C(C)c1sccc1CN 271570a_100000694244_100000727803 [0,1,0,0,1,0|2,0,0]=4 1598 B10R1.39 C=C(C)c1sccc1CO 271570a_100000694244_100009816922 [0,1,0,0,1,0|2,0,0]=4 1599 B10R1.39 C=Cc1ccsc1C(=O)C 271570a_100011290941_100000738688 [0,1,0,0,1,0|1,0,1]=4 1600 B10R1.39 C=Cc1ncsc1C(=O)C 271570a_100011290941_200010339033 [0,1,0,0,1,0|1,0,1]=4 1601 B10R1.39 CC(=O)c1sccc1S[13CH3] 62a_100000738688_200025704644 [0,1,0,0,1,0|1,0,0]=3 1602 B10R1.39 CC(=O)c1scnc1S[13CH3] 62a_200010339033_200025704644 [0,1,0,0,1,0|1,0,0]=3 1603 B10R1.39 CC(=O)c1scnc1S[13CH3] 62a_200025704644_200010339033 [0,1,0,0,1,0|1,0,0]=3 1604 B10R1.39 CSc1ccsc1C(=O)C 62a_100000738688_200000210301 [0,1,0,0,1,0|1,0,0]=3 1605 B10R1.39 CSc1ncsc1C(=O)C 62a_200000210301_200010339033 [0,1,0,0,1,0|1,0,0]=3 1606 B10R1.39 CSc1ncsc1C(=O)C 62a_200010339033_200000210301 [0,1,0,0,1,0|1,0,0]=3 1607 B10R1.59 C=C(C)c1cc(nn1C)C 271570a_100000694244_100009818511 [0,1,0,0,1,0|2,0,0]=4 1608 B10R1.59 C=C(C)c1cc(nn1C)N 271570a_100000694244_100116209741 [0,1,0,0,1,0|2,0,0]=4 1609 B10R1.59 C=C(C)c1cc(sc1C)C 271570a_100000694244_100000688054 [0,1,0,0,1,0|2,0,0]=4 1610 B10R1.59 C=C(C)c1cn(nc1C)C 271570a_100000694244_100011996311 [0,1,0,0,1,0|2,0,0]=4 1611 B10R1.59 C=C(C)c1nc(cn1C)C 271570a_100000694244_100009816808 [0,1,0,0,1,0|2,0,0]=4 1612 B10R1.59 C=C(C)c1nc(sc1C)C 271570a_100000694244_100010270876 [0,1,0,0,1,0|2,0,0]=4 1613 B10R1.59 C=C(C)c1nc(sc1C)N 271570a_100000694244_100009817509 [0,1,0,0,1,0|2,0,0]=4 1614 B10R1.59 C=C(C)c1nn(cc1C)C 271570a_100000694244_100012644376 [0,1,0,0,1,0|2,0,0]=4 1615 B10R1.59 C=C(C)c1nn(nc1C)C 271570a_100000694244_200009884731 [0,1,0,0,1,0|2,0,0]=4 1616 B10R1.59 C=C(C)c1sc(cc1C)C 271570a_100000694244_100000689295 [0,1,0,0,1,0|2,0,0]=4 1617 B10R1.59 C=C(C)c1sc(nc1C)C 271570a_100000694244_100009814099 [0,1,0,0,1,0|2,0,0]=4 1618 B10R1.59 CC(=O)c1sc(nc1C)O 271570a_203496583355_100010106820 [0,1,0,0,1,0|1,0,0]=3 1619 B10R1.149 COC(=O)c1[nH]ccc1O 271570a_203496583355_100102525103 [0,1,0,0,1,0|1,0,1]=4 1620 B10R1.149 COC(=O)c1[nH]cnc1O 271570a_203496583355_100010290838 [0,1,0,0,1,0|1,0,1]=4 1621 B10R1.149 COC(=O)c1ccoc1O 271570a_203496583355_100011935261 [0,1,0,0,1,0|2,0,0]=4 1622 B10R1.149 COC(=O)c1ccsc1O 271570a_203496583355_100009822520 [0,1,0,0,1,0|2,0,0]=4 1623 B10R1.149 COC(=O)c1ncsc1O 271570a_203496583355_100009816836 [0,1,0,0,1,0|2,0,0]=4 1624 B10R1.149 COC(=O)c1nsnc1O 271570a_203496583355_200010229606 [0,1,0,0,1,0|2,0,0]=4 1625 B10R1.149 COC(=O)c1occc1O 271570a_203496583355_100012676306 [0,1,0,0,1,0|2,0,0]=4 1626 B10R1.149 COC(=O)c1sccc1O 271570a_203496583355_100000730364 [0,1,0,0,1,0|2,0,0]=4 1627 B10R1.149 COC(=O)c1scnc1O 271570a_203496583355_100013370767 [0,1,0,0,1,0|2,0,0]=4 1628 B10R1.192 C=C(C)c1c(n[nH]c1C)C 271570a_100000694244_100000238710 [0,1,0,0,1,0|2,0,0]=4 1629 B10R1.192 C=C(C)c1c(n[nH]c1N)C 271570a_100000694244_100000182022 [0,1,0,0,1,0|2,0,0]=4 1630 B10R1.192 C=C(C)c1c(noc1C)C 271570a_100000694244_100000694658 [0,1,0,0,1,0|2,0,0]=4 1631 B10R1.192 C=C(C)c1c(noc1N)C 271570a_100000694244_100000754107 [0,1,0,0,1,0|2,0,0]=4 1632 B10R1.192 C=C(C)c1c(nsc1N)C 271570a_100000694244_100000701153 [0,1,0,0,1,0|2,0,0]=4 1633 B10R1.192 CC(=O)C1C(=O)NN=C1C 1458a_100000070787_200009843013 [0,1,0,0,1,0|1,0,1]=4 1634 B10R1.192 CC(=O)c1c(cnn1C)O 271570a_203496583355_100012349272 [0,1,0,0,1,0|1,0,0]=3 1635 B10R1.192 Cn1ncc(c1C(=O)N)O 271570a_203496583355_100010776205 [0,1,0,0,1,0|2,0,0]=4 1636 B10R1.194 C=C(C)c1n[nH]c(c1C)C 271570a_100000694244_100015309786 [0,1,0,0,1,0|2,0,0]=4 1637 B10R1.194 C=C(C)c1ncc(n1C)C 271570a_100000694244_100009816807 [0,1,0,0,1,0|2,0,0]=4 1638 B10R1.194 CC(=O)c1c[nH]c(c1C)O 271570a_203496583355_200010235672 [0,1,0,0,1,0|2,0,0]=4 1639 B12R1.75 C=Cc1ncccc1OC(=O)C 271570a_100011290941_200009815371 [0,1,0,0,0,1|1,0,1]=4 1640 B12R1.75 CC(=Cc1cccnc1CN)C 271570a_100102525489_100020591323 [0,1,0,0,0,1|2,0,0]=4 1641 B12R1.75 CC(=Cc1cccnc1CO)C 271570a_100102525489_100011996772 [0,1,0,0,0,1|2,0,0]=4 1642 B12R1.75 CC(=Cc1ncccc1CN)C 271570a_100102525489_100015189234 [0,1,0,0,0,1|2,0,0]=4 1643 B12R1.75 CC(=Cc1ncccc1CO)C 271570a_100102525489_100000748726 [0,1,0,0,0,1|2,0,0]=4 1644 B12R1.75 CC(=Cc1nccnc1C#N)C 271570a_100102525489_100000040484 [0,1,0,0,0,1|1,0,1]=4 1645 B12R1.75 CC(=Cc1nccnc1CN)C 271570a_100102525489_100000729963 [0,1,0,0,0,1|1,0,0]=3 1646 B12R1.75 CC(=Cc1nccnc1CO)C 271570a_100102525489_100000057004 [0,1,0,0,0,1|1,0,0]=3 1647 B12R1.75 CC(=Cc1nccnc1NN)C 271570a_100102525489_100000755098 [0,1,0,0,0,1|2,0,0]=4 1648 B12R1.75 CC(=O)Cc1ccccc1CO 1458a_100000070787_100009816955 [0,1,0,0,0,1|2,0,0]=4 1649 B12R1.75 CC(=O)Cc1ccccc1S[13CH3] 62a_100011350739_200025704644 [0,1,0,0,0,1|2,0,0]=4 1650 B12R1.75 CC(=O)Cc1ccccc1S[13CH3] 62a_200025704644_100011350739 [0,1,0,0,0,1|2,0,0]=4 1651 B12R1.75 CC(=O)Cc1cccnc1C#N 1458a_100000070787_100011768898 [0,1,0,0,0,1|1,0,1]=4 1652 B12R1.75 CC(=O)Cc1ncccc1C#N 1458a_100000070787_100000099805 [0,1,0,0,0,1|1,0,1]=4 1653 B12R1.75 CC(=O)Nc1ccccc1CO 22a_100000212039_100000070787 [0,1,0,0,0,1|2,0,0]=4 1654 B12R1.75 CC(=O)Nc1ccccc1N[13CH3] 34a_100011193560_200025704644 [0,1,0,0,0,1|2,0,0]=4 1655 B12R1.75 CC(=O)Nc1ccccc1O[13CH3] 34a_100000185124_200025704644 [0,1,0,0,0,1|2,0,0]=4 1656 B12R1.75 CC(=O)Nc1ccccc1O[13CH3] 7a_100000185124_200025704644 [0,1,0,0,0,1|2,0,0]=4 1657 B12R1.75 CC(=O)Nc1ccccc1S[13CH3] 62a_200025704644_100000153524 [0,1,0,0,0,1|2,0,0]=4 1658 B12R1.75 CC(=O)Nc1ncccc1O[13CH3] 34a_200000022013_200025704644 [0,1,0,0,0,1|1,0,0]=3 1659 B12R1.75 CC(=O)Nc1ncccc1O[13CH3] 7a_200000022013_200025704644 [0,1,0,0,0,1|1,0,0]=3 1660 B12R1.75 CC(=O)Oc1ccccc1S[13CH3] 62a_100000051690_200025704644 [0,1,0,0,0,1|2,0,0]=4 1661 B12R1.75 CC(=O)Oc1ccccc1S[13CH3] 62a_200025704644_100000051690 [0,1,0,0,0,1|2,0,0]=4 1662 B12R1.75 CC(=O)Oc1cccnc1S[13CH3] 62a_200009815371_200025704644 [0,1,0,0,0,1|1,0,0]=3 1663 B12R1.75 CC(=O)Oc1cccnc1S[13CH3] 62a_200025704644_200009815371 [0,1,0,0,0,1|1,0,0]=3 1664 B12R1.75 CC(C)Sc1nccnc1CN 62a_100000210206_100000729963 [0,1,0,0,0,1|1,0,1]=4 1665 B12R1.75 CC(C)Sc1nccnc1CN 62a_100000729963_100000210206 [0,1,0,0,0,1|1,0,1]=4 1666 B12R1.75 CC(C)Sc1nccnc1CO 62a_100000057004_100000210206 [0,1,0,0,0,1|1,0,1]=4 1667 B12R1.75 CC(C)Sc1nccnc1CO 62a_100000210206_100000057004 [0,1,0,0,0,1|1,0,1]=4 1668 B12R1.75 CCc1ccccc1NC(=O)C 11a_100000212081_100015343762 [0,1,0,0,0,1|2,0,0]=4 1669 B12R1.75 CCc1ccccc1NC(=O)C 1626a_100000212081_100015343762 [0,1,0,0,0,1|2,0,0]=4 1670 B12R1.75 CCc1ccccc1NC(=O)C 22a_100000212081_100000070787 [0,1,0,0,0,1|2,0,0]=4 1671 B12R1.75 CCc1ccccc1NC(=O)C 527a_100000212081_100103153847 [0,1,0,0,0,1|2,0,0]=4 1672 B12R1.75 CCc1ncccc1C=C(C)C 271570a_100102525489_100009877225 [0,1,0,0,0,1|2,0,0]=4 1673 B12R1.75 CCc1nccnc1C=C(C)C 271570a_100102525489_100011995844 [0,1,0,0,0,1|1,0,0]=3 1674 B12R1.75 CCc1nccnc1NC(C)C 27a_100138425928_100011995844 [0,1,0,0,0,1|1,0,1]=4 1675 B12R1.75 CCc1nccnc1SC(C)C 62a_100000210206_100011995844 [0,1,0,0,0,1|1,0,1]=4 1676 B12R1.75 CCc1nccnc1SC(C)C 62a_100011995844_100000210206 [0,1,0,0,0,1|1,0,1]=4 1677 B12R1.75 CNc1ccccc1NC(=O)C 34a_100011193560_200000210301 [0,1,0,0,0,1|2,0,0]=4 1678 B12R1.75 CNc1cccnc1C=C(C)C 271570a_100102525489_200011806188 [0,1,0,0,0,1|2,0,0]=4 1679 B12R1.75 CNc1ncccc1C=C(C)C 271570a_100102525489_100000700899 [0,1,0,0,0,1|2,0,0]=4 1680 B12R1.75 CNc1nccnc1C=C(C)C 271570a_100102525489_100011529439 [0,1,0,0,0,1|1,0,0]=3 1681 B12R1.75 CNc1nccnc1SC(C)C 62a_100000210206_100011529439 [0,1,0,0,0,1|1,0,1]=4 1682 B12R1.75 COc1ccccc1CC(=O)C 1458a_100000070787_100000210004 [0,1,0,0,0,1|2,0,0]=4 1683 B12R1.75 COc1ccccc1CC(=O)C 1458a_100000211604_200000210301 [0,1,0,0,0,1|2,0,0]=4 1684 B12R1.75 COc1ccccc1CC(=O)[13CH3] 1458a_100000211604_200025704644 [0,1,0,0,0,1|2,0,0]=4 1685 B12R1.75 COc1ccccc1NC(=O)C 11a_100000210025_100015343762 [0,1,0,0,0,1|2,0,0]=4 1686 B12R1.75 COc1ccccc1NC(=O)C 1626a_100000210025_100015343762 [0,1,0,0,0,1|2,0,0]=4 1687 B12R1.75 COc1ccccc1NC(=O)C 22a_100000210025_100000070787 [0,1,0,0,0,1|2,0,0]=4 1688 B12R1.75 COc1ccccc1NC(=O)C 34a_100000185124_200000210301 [0,1,0,0,0,1|2,0,0]=4 1689 B12R1.75 COc1ccccc1NC(=O)C 527a_100000210025_100103153847 [0,1,0,0,0,1|2,0,0]=4 1690 B12R1.75 COc1ccccc1NC(=O)C 7a_100000185124_200000210301 [0,1,0,0,0,1|2,0,0]=4 1691 B12R1.75 COc1cccnc1C=C(C)C 271570a_100102525489_100000690851 [0,1,0,0,0,1|2,0,0]=4 1692 B12R1.75 COc1cccnc1NC(=O)C 34a_200000022013_200000210301 [0,1,0,0,0,1|1,0,0]=3 1693 B12R1.75 COc1cccnc1NC(=O)C 7a_200000022013_200000210301 [0,1,0,0,0,1|1,0,0]=3 1694 B12R1.75 COc1ncccc1C=C(C)C 271570a_100102525489_100000047025 [0,1,0,0,0,1|2,0,0]=4 1695 B12R1.75 COc1ncccc1CC(=O)C 1458a_100000070787_100020631285 [0,1,0,0,0,1|1,0,0]=3 1696 B12R1.75 COc1nccnc1C=C(C)C 271570a_100102525489_100000749998 [0,1,0,0,0,1|1,0,0]=3 1697 B12R1.75 COc1nccnc1NC(C)C 27a_100138425928_100009858322 [0,1,0,0,0,1|1,0,1]=4 1698 B12R1.75 COc1nccnc1SC(C)C 62a_100000210206_100000749998 [0,1,0,0,0,1|1,0,1]=4 1699 B12R1.75 COc1nccnc1SC(C)C 62a_100009858322_100000210206 [0,1,0,0,0,1|1,0,1]=4 1700 B12R1.75 CSc1ccccc1CC(=O)C 1458a_100000070787_100000699184 [0,1,0,0,0,1|2,0,0]=4 1701 B12R1.75 CSc1ccccc1CC(=O)C 62a_100011350739_200000210301 [0,1,0,0,0,1|2,0,0]=4 1702 B12R1.75 CSc1ccccc1CC(=O)C 62a_200000210301_100011350739 [0,1,0,0,0,1|2,0,0]=4 1703 B12R1.75 CSc1ccccc1NC(=O)C 11a_100000211160_100015343762 [0,1,0,0,0,1|2,0,0]=4 1704 B12R1.75 CSc1ccccc1NC(=O)C 22a_100000211160_100000070787 [0,1,0,0,0,1|2,0,0]=4 1705 B12R1.75 CSc1ccccc1NC(=O)C 62a_200000210301_100000153524 [0,1,0,0,0,1|2,0,0]=4 1706 B12R1.75 CSc1ccccc1OC(=O)C 62a_100000051690_200000210301 [0,1,0,0,0,1|2,0,0]=4 1707 B12R1.75 CSc1ccccc1OC(=O)C 62a_200000210301_100000051690 [0,1,0,0,0,1|2,0,0]=4 1708 B12R1.75 CSc1ncccc1C=C(C)C 271570a_100102525489_100011465278 [0,1,0,0,0,1|2,0,0]=4 1709 B12R1.75 CSc1ncccc1OC(=O)C 62a_200000210301_200009815371 [0,1,0,0,0,1|1,0,0]=3 1710 B12R1.75 CSc1ncccc1OC(=O)C 62a_200009815371_200000210301 [0,1,0,0,0,1|1,0,0]=3 1711 B12R1.124 CC(=C(C)c1cccnc1C)C 271570a_200000049429_100000751574 [0,1,0,0,0,1|2,0,0]=4 1712 B12R1.124 CC(=C(C)c1ncccc1C)C 271570a_200000049429_100000751373 [0,1,0,0,0,1|2,0,0]=4 1713 B12R1.124 CC(=C(C)c1nccnc1C)C 271570a_200000049429_100011999405 [0,1,0,0,0,1|1,0,0]=3 1714 B12R1.124 CC(=C(C)c1nccnc1F)C 271570a_200000049429_200010125657 [0,1,0,0,0,1|2,0,0]=4 1715 B12R1.124 CC(=C(C)c1nccnc1N)C 271570a_200000049429_100000747729 [0,1,0,0,0,1|2,0,0]=4 1716 B12R1.124 CC(=O)N(C)c1ccccc1C 11a_100000219699_100015343762 [0,1,0,0,0,1|2,0,0]=4 1717 B12R1.124 CC(=O)N(C)c1ccccc1C 1626a_100000219699_100015343762 [0,1,0,0,0,1|2,0,0]=4 1718 B12R1.124 CC(=O)N(C)c1ccccc1C 22a_100000219699_100000070787 [0,1,0,0,0,1|2,0,0]=4 1719 B12R1.124 Cc1nccnc1N(C)C(C)C 27a_200000211004_100011999405 [0,1,0,0,0,1|1,0,1]=4 1720 B12R1.127 CC(=Cc1cc(cnc1C)Br)C 271570a_100102525489_200010090566 [0,1,0,0,0,1|2,0,0]=4 1721 B12R1.127 CC(=Cc1cc(cnc1C)C)C 271570a_100102525489_100009817436 [0,1,0,0,0,1|2,0,0]=4 1722 B12R1.127 CC(=Cc1cc(cnc1C)F)C 271570a_100102525489_100009860710 [0,1,0,0,0,1|2,0,0]=4 1723 B12R1.127 CC(=Cc1cc(cnc1C)N)C 271570a_100102525489_100011998591 [0,1,0,0,0,1|2,0,0]=4 1724 B12R1.127 CC(=Cc1cc(cnc1C)O)C 271570a_100102525489_100009819603 [0,1,0,0,0,1|2,0,0]=4 1725 B12R1.127 CC(=Cc1nc(ccc1C)C)C 271570a_100102525489_100009854376 [0,1,0,0,0,1|2,0,0]=4 1726 B12R1.127 CC(=Cc1nc(ccc1C)N)C 271570a_100102525489_100000126722 [0,1,0,0,0,1|2,0,0]=4 1727 B12R1.127 CC(=Cc1nc(cnc1C)C)C 271570a_100102525489_100000211308 [0,1,0,0,0,1|1,0,0]=3 1728 B12R1.127 CC(=Cc1nc(cnc1C)N)C 271570a_100102525489_100009877824 [0,1,0,0,0,1|1,0,0]=3 1729 B12R1.127 CC(=Cc1nc(cnc1N)Br)C 271570a_100102525489_100010988662 [0,1,0,0,0,1|2,0,0]=4 1730 B12R1.127 CC(=Cc1nc(cnc1N)C)C 271570a_100102525489_100009819049 [0,1,0,0,0,1|2,0,0]=4 1731 B12R1.127 CC(=O)Cc1cc(ccc1C)Br 1458a_100010244045_200000210301 [0,1,0,0,0,1|2,0,0]=4 1732 B12R1.127 CC(=O)Cc1cc(ccc1C)C 1458a_100000070787_100000184699 [0,1,0,0,0,1|2,0,0]=4 1733 B12R1.127 CC(=O)Cc1cc(ccc1C)C 1458a_100000749331_200000210301 [0,1,0,0,0,1|2,0,0]=4 1734 B12R1.127 CC(=O)Cc1cc(ccc1C)Cl 1458a_100000070787_100012186985 [0,1,0,0,0,1|2,0,0]=4 1735 B12R1.127 CC(=O)Cc1cc(ccc1C)F 1458a_100000070787_100000709795 [0,1,0,0,0,1|2,0,0]=4 1736 B12R1.127 CC(=O)Cc1cc(ccc1C)F 1458a_100011219217_200000210301 [0,1,0,0,0,1|2,0,0]=4 1737 B12R1.127 CC(=O)Cc1cc(cnc1Br)Br 1458a_100000070787_100010253922 [0,1,0,0,0,1|2,0,0]=4 1738 B12R1.127 CC(=O)Cc1cc(cnc1Cl)Br 1458a_100000070787_100009816982 [0,1,0,0,0,1|2,0,0]=4 1739 B12R1.127 CC(=O)Cc1nc(ccc1Cl)C 1458a_100000070787_200009852033 [0,1,0,0,0,1|2,0,0]=4 1740 B12R1.127 CC(=O)Cc1nc(ccc1Cl)Cl 1458a_100000070787_100000059412 [0,1,0,0,0,1|2,0,0]=4 1741 B12R1.127 CC(=O)Cc1nc(ccc1F)Br 1458a_100000070787_100010065826 [0,1,0,0,0,1|2,0,0]=4 1742 B12R1.127 CC(=O)Cc1nc(ccc1F)Cl 1458a_100000070787_100009881012 [0,1,0,0,0,1|2,0,0]=4 1743 B12R1.127 CC(=O)Cc1nc(ccc1O)C 1458a_100000070787_100020630696 [0,1,0,0,0,1|2,0,0]=4 1744 B12R1.127 CC(=O)Nc1cc(ccc1C)Br 11a_100000741167_100015343762 [0,1,0,0,0,1|2,0,0]=4 1745 B12R1.127 CC(=O)Nc1cc(ccc1C)Br 1626a_100000741167_100015343762 [0,1,0,0,0,1|2,0,0]=4 1746 B12R1.127 CC(=O)Nc1cc(ccc1C)Br 22a_100000741167_100000070787 [0,1,0,0,0,1|2,0,0]=4 1747 B12R1.127 CC(=O)Nc1cc(ccc1C)Br 527a_100000741167_100103153847 [0,1,0,0,0,1|2,0,0]=4 1748 B12R1.127 CC(=O)Nc1cc(ccc1C)C 11a_100000185781_100015343762 [0,1,0,0,0,1|2,0,0]=4 1749 B12R1.127 CC(=O)Nc1cc(ccc1C)C 1626a_100000185781_100015343762 [0,1,0,0,0,1|2,0,0]=4 1750 B12R1.127 CC(=O)Nc1cc(ccc1C)C 22a_100000185781_100000070787 [0,1,0,0,0,1|2,0,0]=4 1751 B12R1.127 CC(=O)Nc1cc(ccc1C)Cl 11a_100000211374_100015343762 [0,1,0,0,0,1|2,0,0]=4 1752 B12R1.127 CC(=O)Nc1cc(ccc1C)Cl 1626a_100000211374_100015343762 [0,1,0,0,0,1|2,0,0]=4 1753 B12R1.127 CC(=O)Nc1cc(ccc1C)Cl 22a_100000211374_100000070787 [0,1,0,0,0,1|2,0,0]=4 1754 B12R1.127 CC(=O)Nc1cc(ccc1C)Cl 527a_100000211374_100103153847 [0,1,0,0,0,1|2,0,0]=4 1755 B12R1.127 CC(=O)Nc1cc(ccc1C)F 11a_100000211107_100015343762 [0,1,0,0,0,1|2,0,0]=4 1756 B12R1.127 CC(=O)Nc1cc(ccc1C)F 1626a_100000211107_100015343762 [0,1,0,0,0,1|2,0,0]=4 1757 B12R1.127 CC(=O)Nc1cc(ccc1C)F 22a_100000211107_100000070787 [0,1,0,0,0,1|2,0,0]=4 1758 B12R1.127 CC(=O)Nc1cc(ccc1C)I 11a_100000761890_100015343762 [0,1,0,0,0,1|2,0,0]=4 1759 B12R1.127 CC(=O)Nc1cc(ccc1C)I 1626a_100000761890_100015343762 [0,1,0,0,0,1|2,0,0]=4 1760 B12R1.127 CC(=O)Nc1cc(ccc1C)I 22a_100000761890_100000070787 [0,1,0,0,0,1|2,0,0]=4 1761 B12R1.127 CC(=O)Nc1cc(ccc1C)I 527a_100000761890_100103153847 [0,1,0,0,0,1|2,0,0]=4 1762 B12R1.127 CC(=O)Nc1cc(ccc1C)O 22a_100011216113_100000070787 [0,1,0,0,0,1|2,0,0]=4 1763 B12R1.127 CC(=O)Nc1cc(ccc1C)O 271570a_203496583355_100011344836 [0,1,0,0,0,1|2,0,0]=4 1764 B12R1.127 CC(=O)Nc1cc(ccc1C)O 527a_100011216113_100103153847 [0,1,0,0,0,1|2,0,0]=4 1765 B12R1.127 CC(=O)Nc1cc(cnc1C)O 271570a_203496583355_100010117071 [0,1,0,0,0,1|1,0,0]=3 1766 B12R1.127 CC(=O)Oc1cc(ccc1C)O 271570a_203496583355_100103282185 [0,1,0,0,0,1|2,0,0]=4 1767 B12R1.127 Cc1ccc(c(c1)CC(=O)[13CH3])C 1458a_100000749331_200025704644 [0,1,0,0,0,1|2,0,0]=4 1768 B12R1.127 Cc1ccc(cc1CC(=O)[13CH3])Br 1458a_100010244045_200025704644 [0,1,0,0,0,1|2,0,0]=4 1769 B12R1.127 Cc1ccc(cc1CC(=O)[13CH3])F 1458a_100011219217_200025704644 [0,1,0,0,0,1|2,0,0]=4 1770 B12R1.127 Cc1cnc(c(n1)NC(C)C)C 27a_100138425928_100000211308 [0,1,0,0,0,1|1,0,1]=4 1771 B12R1.127 Cc1cnc(c(n1)SC(C)C)C 62a_100000210206_100000211308 [0,1,0,0,0,1|1,0,1]=4 1772 B12R1.127 Cc1cnc(c(n1)SC(C)C)C 62a_100000211308_100000210206 [0,1,0,0,0,1|1,0,1]=4 1773 B12R1.127 Cc1ncc(nc1SC(C)C)N 62a_100000210206_100009877824 [0,1,0,0,0,1|1,0,1]=4 1774 B12R1.127 Cc1ncc(nc1SC(C)C)N 62a_100009877824_100000210206 [0,1,0,0,0,1|1,0,1]=4 1775 B12R1.151 Cc1nccnc1OC(C)(C)C 34a_100000766352_100000210625 [0,1,0,0,0,1|1,0,1]=4 1776 B12R1.151 Cc1nccnc1SC(C)(C)C 62a_100000211941_100011999405 [0,1,0,0,0,1|1,0,1]=4 1777 B12R1.151 Cc1nccnc1SC(C)(C)C 62a_100011999405_100000211941 [0,1,0,0,0,1|1,0,1]=4 1778 B12R1.224 CC(=Cc1nccc(c1C)C)C 271570a_100102525489_100009847204 [0,1,0,0,0,1|2,0,0]=4 1779 B12R1.224 CC(=Cc1nccc(c1C)F)C 271570a_100102525489_100009846374 [0,1,0,0,0,1|2,0,0]=4 1780 B12R1.224 CC(=Cc1nccc(c1C)N)C 271570a_100102525489_100009980296 [0,1,0,0,0,1|2,0,0]=4 1781 B12R1.224 CC(=O)Cc1cccc(c1C)Br 1458a_100000070787_100000694682 [0,1,0,0,0,1|2,0,0]=4 1782 B12R1.224 CC(=O)Cc1cccc(c1C)C 1458a_100000070787_100011515928 [0,1,0,0,0,1|2,0,0]=4 1783 B12R1.224 CC(=O)Cc1cccc(c1C)C 1458a_100011698479_200000210301 [0,1,0,0,0,1|2,0,0]=4 1784 B12R1.224 CC(=O)Cc1cccc(c1C)Cl 1458a_100000070787_100012186920 [0,1,0,0,0,1|2,0,0]=4 1785 B12R1.224 CC(=O)Cc1cccc(c1C)F 1458a_100000035905_200000210301 [0,1,0,0,0,1|2,0,0]=4 1786 B12R1.224 CC(=O)Cc1cccc(c1C)F 1458a_100000070787_100009813626 [0,1,0,0,0,1|2,0,0]=4 1787 B12R1.224 CC(=O)Cc1cccc(c1C)I 1458a_100000070787_100010150147 [0,1,0,0,0,1|2,0,0]=4 1788 B12R1.224 CC(=O)Cc1nccc(c1C)Cl 1458a_100000070787_100020614443 [0,1,0,0,0,1|1,0,0]=3 1789 B12R1.224 CC(=O)Nc1cccc(c1C)Br 11a_100000750434_100015343762 [0,1,0,0,0,1|2,0,0]=4 1790 B12R1.224 CC(=O)Nc1cccc(c1C)Br 1626a_100000750434_100015343762 [0,1,0,0,0,1|2,0,0]=4 1791 B12R1.224 CC(=O)Nc1cccc(c1C)Br 22a_100000750434_100000070787 [0,1,0,0,0,1|2,0,0]=4 1792 B12R1.224 CC(=O)Nc1cccc(c1C)Br 527a_100000750434_100103153847 [0,1,0,0,0,1|2,0,0]=4 1793 B12R1.224 CC(=O)Nc1cccc(c1C)C 11a_100000210026_100015343762 [0,1,0,0,0,1|2,0,0]=4 1794 B12R1.224 CC(=O)Nc1cccc(c1C)C 1626a_100000210026_100015343762 [0,1,0,0,0,1|2,0,0]=4 1795 B12R1.224 CC(=O)Nc1cccc(c1C)C 22a_100000210026_100000070787 [0,1,0,0,0,1|2,0,0]=4 1796 B12R1.224 CC(=O)Nc1cccc(c1C)C 527a_100000210026_100103153847 [0,1,0,0,0,1|2,0,0]=4 1797 B12R1.224 CC(=O)Nc1cccc(c1C)Cl 11a_100000210441_100015343762 [0,1,0,0,0,1|2,0,0]=4 1798 B12R1.224 CC(=O)Nc1cccc(c1C)Cl 1626a_100000210441_100015343762 [0,1,0,0,0,1|2,0,0]=4 1799 B12R1.224 CC(=O)Nc1cccc(c1C)Cl 22a_100000210441_100000070787 [0,1,0,0,0,1|2,0,0]=4 1800 B12R1.224 CC(=O)Nc1cccc(c1C)Cl 527a_100000210441_100103153847 [0,1,0,0,0,1|2,0,0]=4 1801 B12R1.224 CC(=O)Nc1cccc(c1C)F 11a_100000745574_100015343762 [0,1,0,0,0,1|2,0,0]=4 1802 B12R1.224 CC(=O)Nc1cccc(c1C)F 1626a_100000745574_100015343762 [0,1,0,0,0,1|2,0,0]=4 1803 B12R1.224 CC(=O)Nc1cccc(c1C)F 22a_100000745574_100000070787 [0,1,0,0,0,1|2,0,0]=4 1804 B12R1.224 CC(=O)Nc1cccc(c1C)F 527a_100000745574_100103153847 [0,1,0,0,0,1|2,0,0]=4 1805 B12R1.224 CC(=O)Nc1cccc(c1C)I 11a_100000761887_100015343762 [0,1,0,0,0,1|2,0,0]=4 1806 B12R1.224 CC(=O)Nc1cccc(c1C)I 1626a_100000761887_100015343762 [0,1,0,0,0,1|2,0,0]=4 1807 B12R1.224 CC(=O)Nc1cccc(c1C)I 22a_100000761887_100000070787 [0,1,0,0,0,1|2,0,0]=4 1808 B12R1.224 CC(=O)Nc1cccc(c1C)I 527a_100000761887_100103153847 [0,1,0,0,0,1|2,0,0]=4 1809 B12R1.224 CC(=O)Nc1cccc(c1C)O 11a_100011216573_100015343762 [0,1,0,0,0,1|2,0,0]=4 1810 B12R1.224 CC(=O)Nc1cccc(c1C)O 22a_100011216573_100000070787 [0,1,0,0,0,1|2,0,0]=4 1811 B12R1.224 CC(=O)Nc1cccc(c1C)O 527a_100011216573_100103153847 [0,1,0,0,0,1|2,0,0]=4 1812 B12R1.224 Cc1c(cccc1CC(=O)[13CH3])F 1458a_100000035905_200025704644 [0,1,0,0,0,1|2,0,0]=4 1813 B12R1.224 Cc1cccc(c1C)CC(=O)[13CH3] 1458a_100011698479_200025704644 [0,1,0,0,0,1|2,0,0]=4 1814 B12R1.233 CC(=Cc1ccc(nc1C)C)C 271570a_100102525489_100009813853 [0,1,0,0,0,1|2,0,0]=4 1815 B12R1.233 CC(=Cc1ccc(nc1C)Cl)C 271570a_100102525489_100000062408 [0,1,0,0,0,1|2,0,0]=4 1816 B12R1.233 CC(=Cc1ccc(nc1C)F)C 271570a_100102525489_100000688911 [0,1,0,0,0,1|2,0,0]=4 1817 B12R1.233 CC(=Cc1ccc(nc1C)N)C 271570a_100102525489_100000013003 [0,1,0,0,0,1|2,0,0]=4 1818 B12R1.233 CC(=Cc1ccc(nc1C)O)C 271570a_100102525489_100000691680 [0,1,0,0,0,1|2,0,0]=4 1819 B12R1.233 CC(=Cc1ncc(cc1C)Br)C 271570a_100102525489_100012353652 [0,1,0,0,0,1|2,0,0]=4 1820 B12R1.233 CC(=Cc1ncc(cc1C)C)C 271570a_100102525489_100009864548 [0,1,0,0,0,1|2,0,0]=4 1821 B12R1.233 CC(=Cc1ncc(cc1C)F)C 271570a_100102525489_100009817009 [0,1,0,0,0,1|2,0,0]=4 1822 B12R1.233 CC(=Cc1ncc(cc1C)N)C 271570a_100102525489_100000761747 [0,1,0,0,0,1|2,0,0]=4 1823 B12R1.233 CC(=Cc1ncc(cc1C)O)C 271570a_100102525489_100012000486 [0,1,0,0,0,1|2,0,0]=4 1824 B12R1.233 CC(=Cc1ncc(nc1C)C)C 271570a_100102525489_100000065684 [0,1,0,0,0,1|1,0,0]=3 1825 B12R1.233 CC(=Cc1ncc(nc1C)N)C 271570a_100102525489_100009818570 [0,1,0,0,0,1|1,0,0]=3 1826 B12R1.233 CC(=O)Cc1ccc(cc1C)Br 1458a_100000070787_100000708836 [0,1,0,0,0,1|2,0,0]=4 1827 B12R1.233 CC(=O)Cc1ccc(cc1C)Br 1458a_100000697930_200000210301 [0,1,0,0,0,1|2,0,0]=4 1828 B12R1.233 CC(=O)Cc1ccc(cc1C)C 1458a_100000070787_100011219618 [0,1,0,0,0,1|2,0,0]=4 1829 B12R1.233 CC(=O)Cc1ccc(cc1C)C 1458a_100011236500_200000210301 [0,1,0,0,0,1|2,0,0]=4 1830 B12R1.233 CC(=O)Cc1ccc(cc1C)Cl 1458a_100000070787_100012361307 [0,1,0,0,0,1|2,0,0]=4 1831 B12R1.233 CC(=O)Cc1ccc(cc1C)F 1458a_100000070787_100000700533 [0,1,0,0,0,1|2,0,0]=4 1832 B12R1.233 CC(=O)Cc1ccc(cc1C)F 1458a_100011667441_200000210301 [0,1,0,0,0,1|2,0,0]=4 1833 B12R1.233 CC(=O)Cc1ccc(nc1Br)C 1458a_100000070787_200010064658 [0,1,0,0,0,1|2,0,0]=4 1834 B12R1.233 CC(=O)Cc1ccc(nc1Cl)Cl 1458a_100000070787_100000722033 [0,1,0,0,0,1|2,0,0]=4 1835 B12R1.233 CC(=O)Cc1ccc(nc1Cl)Cl 1458a_200010067290_200000210301 [0,1,0,0,0,1|2,0,0]=4 1836 B12R1.233 CC(=O)Cc1ncc(cc1Br)Cl 1458a_200012351915_200000210301 [0,1,0,0,0,1|2,0,0]=4 1837 B12R1.233 CC(=O)Cc1ncc(cc1C)C 1458a_100000070787_100016990036 [0,1,0,0,0,1|1,0,0]=3 1838 B12R1.233 CC(=O)Cc1ncc(cc1F)Br 1458a_100012351917_200000210301 [0,1,0,0,0,1|2,0,0]=4 1839 B12R1.233 CC(=O)Cc1ncc(cc1F)Cl 1458a_100000070787_200009879301 [0,1,0,0,0,1|2,0,0]=4 1840 B12R1.233 CC(=O)Nc1ccc(cc1C)Br 11a_100000211769_100015343762 [0,1,0,0,0,1|2,0,0]=4 1841 B12R1.233 CC(=O)Nc1ccc(cc1C)Br 1626a_100000211769_100015343762 [0,1,0,0,0,1|2,0,0]=4 1842 B12R1.233 CC(=O)Nc1ccc(cc1C)Br 22a_100000211769_100000070787 [0,1,0,0,0,1|2,0,0]=4 1843 B12R1.233 CC(=O)Nc1ccc(cc1C)C 11a_100000736561_100015343762 [0,1,0,0,0,1|2,0,0]=4 1844 B12R1.233 CC(=O)Nc1ccc(cc1C)C 1626a_100000736561_100015343762 [0,1,0,0,0,1|2,0,0]=4 1845 B12R1.233 CC(=O)Nc1ccc(cc1C)C 22a_100000736561_100000070787 [0,1,0,0,0,1|2,0,0]=4 1846 B12R1.233 CC(=O)Nc1ccc(cc1C)C 527a_100000736561_100103153847 [0,1,0,0,0,1|2,0,0]=4 1847 B12R1.233 CC(=O)Nc1ccc(cc1C)Cl 11a_100000210418_100015343762 [0,1,0,0,0,1|2,0,0]=4 1848 B12R1.233 CC(=O)Nc1ccc(cc1C)Cl 1626a_100000210418_100015343762 [0,1,0,0,0,1|2,0,0]=4 1849 B12R1.233 CC(=O)Nc1ccc(cc1C)Cl 22a_100000210418_100000070787 [0,1,0,0,0,1|2,0,0]=4 1850 B12R1.233 CC(=O)Nc1ccc(cc1C)F 11a_100000211637_100015343762 [0,1,0,0,0,1|2,0,0]=4 1851 B12R1.233 CC(=O)Nc1ccc(cc1C)F 1626a_100000211637_100015343762 [0,1,0,0,0,1|2,0,0]=4 1852 B12R1.233 CC(=O)Nc1ccc(cc1C)F 22a_100000211637_100000070787 [0,1,0,0,0,1|2,0,0]=4 1853 B12R1.233 CC(=O)Nc1ccc(cc1C)F 527a_100000211637_100103153847 [0,1,0,0,0,1|2,0,0]=4 1854 B12R1.233 CC(=O)Nc1ccc(cc1C)I 11a_100000184554_100015343762 [0,1,0,0,0,1|2,0,0]=4 1855 B12R1.233 CC(=O)Nc1ccc(cc1C)I 1626a_100000184554_100015343762 [0,1,0,0,0,1|2,0,0]=4 1856 B12R1.233 CC(=O)Nc1ccc(cc1C)I 22a_100000184554_100000070787 [0,1,0,0,0,1|2,0,0]=4 1857 B12R1.233 CC(=O)Nc1ccc(cc1C)O 22a_100000756630_100000070787 [0,1,0,0,0,1|2,0,0]=4 1858 B12R1.233 CC(=O)Nc1ccc(cc1C)O 271570a_203496583355_100000152120 [0,1,0,0,0,1|2,0,0]=4 1859 B12R1.233 CC(=O)Nc1ccc(cc1C)O 527a_100000756630_100103153847 [0,1,0,0,0,1|2,0,0]=4 1860 B12R1.233 CC(=O)Nc1ncc(cc1C)O 271570a_203496583355_200011934169 [0,1,0,0,0,1|1,0,0]=3 1861 B12R1.233 CC(=O)Nc1ncc(cc1O)C 271570a_203496583355_200009816786 [0,1,0,0,0,1|2,0,0]=4 1862 B12R1.233 Cc1cc(ccc1CC(=O)[13CH3])Br 1458a_100000697930_200025704644 [0,1,0,0,0,1|2,0,0]=4 1863 B12R1.233 Cc1cc(ccc1CC(=O)[13CH3])F 1458a_100011667441_200025704644 [0,1,0,0,0,1|2,0,0]=4 1864 B12R1.233 Cc1ccc(c(c1)C)CC(=O)[13CH3] 1458a_100011236500_200025704644 [0,1,0,0,0,1|2,0,0]=4 1865 B12R1.233 Cc1cnc(c(n1)C)SC(C)C 62a_100000065684_100000210206 [0,1,0,0,0,1|1,0,1]=4 1866 B12R1.233 Cc1cnc(c(n1)C)SC(C)C 62a_100000210206_100000065684 [0,1,0,0,0,1|1,0,1]=4 1867 B12R1.233 Cc1nc(cnc1SC(C)C)N 62a_100000210206_100009818570 [0,1,0,0,0,1|1,0,1]=4 1868 B12R1.233 Cc1nc(cnc1SC(C)C)N 62a_100009818570_100000210206 [0,1,0,0,0,1|1,0,1]=4 1869 B12R1.233 [13CH3]C(=O)Cc1ccc(nc1Cl)Cl 1458a_200010067290_200025704644 [0,1,0,0,0,1|2,0,0]=4 1870 B12R1.233 [13CH3]C(=O)Cc1ncc(cc1Br)Cl 1458a_200012351915_200025704644 [0,1,0,0,0,1|2,0,0]=4 1871 B12R1.233 [13CH3]C(=O)Cc1ncc(cc1F)Br 1458a_100012351917_200025704644 [0,1,0,0,0,1|2,0,0]=4 1872 B12R1.371 C#CC(=O)Cc1cccnc1C 1458a_100000211873_100000732876 [0,1,0,0,0,1|1,0,1]=4 1873 B12R1.371 C#CC(=O)Cc1ncccc1C 1458a_100000211873_100000696600 [0,1,0,0,0,1|1,0,1]=4 1874 B12R1.371 C#CC(C)Nc1nccnc1C 27a_100000707721_100011999405 [0,1,0,0,0,1|1,0,1]=4 1875 B12R1.371 C#CC(C)Oc1nccnc1C 34a_100000766352_200000035995 [0,1,0,0,0,1|1,0,1]=4 1876 B12R1.371 C#CC(C)Sc1nccnc1C 62a_200000035995_100011999405 [0,1,0,0,0,1|1,0,1]=4 1877 B12R1.371 C=CC(=O)Cc1cccnc1C 1458a_100000185746_100000732876 [0,1,0,0,0,1|1,0,1]=4 1878 B12R1.371 C=CC(=O)Cc1ncccc1C 1458a_100000185746_100000696600 [0,1,0,0,0,1|1,0,1]=4 1879 B12R1.371 C=CC(C)Sc1nccnc1C 62a_100011215867_100011999405 [0,1,0,0,0,1|1,0,1]=4 1880 B12R1.371 CCC(=O)Cc1ccccc1C 1458a_100000210414_100000211839 [0,1,0,0,0,1|2,0,0]=4 1881 B12R1.371 CCC(=O)Cc1ccccc1C 1458a_100000212180_100000210202 [0,1,0,0,0,1|2,0,0]=4 1882 B12R1.371 CCC(=O)Cc1cccnc1Br 1458a_100000210414_100010140945 [0,1,0,0,0,1|2,0,0]=4 1883 B12R1.371 CCC(=O)Cc1cccnc1C 1458a_100000210414_100000732876 [0,1,0,0,0,1|1,0,0]=3 1884 B12R1.371 CCC(=O)Cc1cccnc1Cl 1458a_100000093521_100000210202 [0,1,0,0,0,1|2,0,0]=4 1885 B12R1.371 CCC(=O)Cc1cccnc1Cl 1458a_100000210414_100000045678 [0,1,0,0,0,1|2,0,0]=4 1886 B12R1.371 CCC(=O)Cc1cccnc1F 1458a_100000210414_100000099810 [0,1,0,0,0,1|2,0,0]=4 1887 B12R1.371 CCC(=O)Cc1ncccc1Br 1458a_100000210414_100025702911 [0,1,0,0,0,1|2,0,0]=4 1888 B12R1.371 CCC(=O)Cc1ncccc1Br 1458a_200012357574_100000210202 [0,1,0,0,0,1|2,0,0]=4 1889 B12R1.371 CCC(=O)Cc1ncccc1C 1458a_100000210414_100000696600 [0,1,0,0,0,1|1,0,0]=3 1890 B12R1.371 CCC(=O)Cc1ncccc1C 1458a_200000722269_100000210202 [0,1,0,0,0,1|1,0,0]=3 1891 B12R1.371 CCC(=O)Cc1ncccc1Cl 1458a_100000210414_100000099807 [0,1,0,0,0,1|2,0,0]=4 1892 B12R1.371 CCC(=O)Cc1ncccc1Cl 1458a_100011998755_100000210202 [0,1,0,0,0,1|2,0,0]=4 1893 B12R1.371 CCC(=O)Cc1ncccc1F 1458a_100000210414_100000104219 [0,1,0,0,0,1|2,0,0]=4 1894 B12R1.371 CCC(=O)Cc1ncccc1O 1458a_100000210414_200020655725 [0,1,0,0,0,1|2,0,0]=4 1895 B12R1.371 CCC(=O)Nc1ccccc1C 11a_100015192222_100000210414 [0,1,0,0,0,1|2,0,0]=4 1896 B12R1.371 CCC(=O)Nc1ccccc1C 1626a_100015192222_100000210414 [0,1,0,0,0,1|2,0,0]=4 1897 B12R1.371 CCC(=O)Nc1ccccc1C 22a_100015192222_100000210414 [0,1,0,0,0,1|2,0,0]=4 1898 B12R1.371 CCC(=O)Nc1ccccc1C 527a_100015192222_100000210414 [0,1,0,0,0,1|2,0,0]=4 1899 B12R1.371 CCC(C)Oc1nccnc1C 34a_100000766352_100011215416 [0,1,0,0,0,1|1,0,1]=4 1900 B12R1.371 CCC(C)Sc1nccnc1C 62a_100000758301_100011999405 [0,1,0,0,0,1|1,0,1]=4 1901 B12R1.371 CCC(C)Sc1nccnc1C 62a_100011999405_100000758301 [0,1,0,0,0,1|1,0,1]=4 1902 B12R1.371 CNC(=O)Cc1ccccc1C 11a_106832991635_100000212180 [0,1,0,0,0,1|2,0,0]=4 1903 B12R1.371 CNC(=O)Cc1ccccc1C 1626a_100102657272_100000212180 [0,1,0,0,0,1|2,0,0]=4 1904 B12R1.371 CNC(=O)Cc1ccccc1C 240690a_100102657272_100000212180 [0,1,0,0,0,1|2,0,0]=4 1905 B12R1.371 CNC(=O)Cc1ccccc1C 527a_100102657272_100000212180 [0,1,0,0,0,1|2,0,0]=4 1906 B12R1.371 CNC(=O)Cc1cccnc1Cl 11a_106832991635_100000093521 [0,1,0,0,0,1|2,0,0]=4 1907 B12R1.371 CNC(=O)Cc1cccnc1Cl 1626a_100102657272_100000093521 [0,1,0,0,0,1|2,0,0]=4 1908 B12R1.371 CNC(=O)Cc1cccnc1Cl 240690a_100102657272_100000093521 [0,1,0,0,0,1|2,0,0]=4 1909 B12R1.371 CNC(=O)Cc1cccnc1Cl 527a_100102657272_100000093521 [0,1,0,0,0,1|2,0,0]=4 1910 B12R1.371 CNC(=O)Cc1ncccc1Br 11a_106832991635_200012357574 [0,1,0,0,0,1|2,0,0]=4 1911 B12R1.371 CNC(=O)Cc1ncccc1Br 240690a_100102657272_200012357574 [0,1,0,0,0,1|2,0,0]=4 1912 B12R1.371 CNC(=O)Cc1ncccc1C 11a_106832991635_200000722269 [0,1,0,0,0,1|1,0,0]=3 1913 B12R1.371 CNC(=O)Cc1ncccc1C 1626a_100102657272_200000722269 [0,1,0,0,0,1|1,0,0]=3 1914 B12R1.371 CNC(=O)Cc1ncccc1C 240690a_100102657272_200000722269 [0,1,0,0,0,1|1,0,0]=3 1915 B12R1.371 CNC(=O)Cc1ncccc1Cl 11a_106832991635_100011998755 [0,1,0,0,0,1|2,0,0]=4 1916 B12R1.371 CNC(=O)Cc1ncccc1Cl 240690a_100102657272_100011998755 [0,1,0,0,0,1|2,0,0]=4 1917 B12R1.371 CNC(=O)Cc1ncccc1Cl 527a_100102657272_100011998755 [0,1,0,0,0,1|2,0,0]=4 1918 B12R1.371 CNC(=O)Nc1ccccc1C 2430a_100015192222_100102657272 [0,1,0,0,0,1|2,0,0]=4 1919 B12R1.371 COC(=O)Cc1cccnc1O 271570a_203496583355_100010293180 [0,1,0,0,0,1|2,0,0]=4 1920 B12R1.371 COC(=O)Cc1ncccc1O 271570a_203496583355_100012347948 [0,1,0,0,0,1|2,0,0]=4 1921 B12R1.371 COC(C)Sc1nccnc1C 62a_100009879195_100011999405 [0,1,0,0,0,1|0,0,2]=4 1922 B12R1.371 COC(C)Sc1nccnc1C 62a_100011999405_100009879195 [0,1,0,0,0,1|0,0,2]=4 1923 B12R1.371 Cc1ccccc1CC(=O)CF 1458a_100000212180_100015361967 [0,1,0,0,0,1|2,0,0]=4 1924 B12R1.371 Cc1ccccc1CC(=O)CO 1458a_100000210174_100000211839 [0,1,0,0,0,1|2,0,0]=4 1925 B12R1.371 Cc1ccccc1NC(=O)CO 22a_100015192222_100000210174 [0,1,0,0,0,1|2,0,0]=4 1926 B12R1.371 Cc1ccccc1NC(=O)CO 527a_100015192222_100000210174 [0,1,0,0,0,1|2,0,0]=4 1927 B12R1.371 Cc1cccnc1CC(=O)CF 1458a_200000722269_100015361967 [0,1,0,0,0,1|1,0,0]=3 1928 B12R1.371 Cc1cccnc1CC(=O)CO 1458a_100000210174_100000696600 [0,1,0,0,0,1|1,0,0]=3 1929 B12R1.371 Cc1ncccc1CC(=O)CO 1458a_100000210174_100000732876 [0,1,0,0,0,1|1,0,0]=3 1930 B12R1.371 Cc1nccnc1N[C@H](C)CF 27a_100102880703_100011999405 [0,1,0,0,0,1|1,0,1]=4 1931 B12R1.371 Cc1nccnc1N[C@H](C)CO 27a_100000737577_100011999405 [0,1,0,0,0,1|0,0,2]=4 1932 B12R1.371 Cc1nccnc1OC(C)CO 34a_100000766352_100012180447 [0,1,0,0,0,1|0,0,2]=4 1933 B12R1.371 Cc1nccnc1SC(C)C#N 62a_100000703298_100011999405 [0,1,0,0,0,1|1,0,1]=4 1934 B12R1.371 Cc1nccnc1SC(C)C#N 62a_100011999405_100000703298 [0,1,0,0,0,1|1,0,1]=4 1935 B12R1.371 Cc1nccnc1SC(C)CO 62a_100012180447_100011999405 [0,1,0,0,0,1|0,0,2]=4 1936 B12R1.371 Cc1nccnc1S[C@H](C)CO 62a_100011999405_100016084084 [0,1,0,0,0,1|0,0,2]=4 1937 B12R1.371 Cc1nccnc1S[C@H](C)CO 62a_100016084084_100011999405 [0,1,0,0,0,1|0,0,2]=4 1938 B12R1.371 O=C(CF)Cc1cccnc1Cl 1458a_100000093521_100015361967 [0,1,0,0,0,1|2,0,0]=4 1939 B12R1.371 O=C(CF)Cc1ncccc1Br 1458a_200012357574_100015361967 [0,1,0,0,0,1|2,0,0]=4 1940 B12R1.371 O=C(CF)Cc1ncccc1Cl 1458a_100011998755_100015361967 [0,1,0,0,0,1|2,0,0]=4 1941 B12R1.371 O=C(CO)Cc1cccnc1Br 1458a_100000210174_100010140945 [0,1,0,0,0,1|2,0,0]=4 1942 B12R1.371 O=C(CO)Cc1cccnc1Cl 1458a_100000210174_100000045678 [0,1,0,0,0,1|2,0,0]=4 1943 B12R1.371 O=C(CO)Cc1cccnc1F 1458a_100000210174_100000099810 [0,1,0,0,0,1|2,0,0]=4 1944 B12R1.371 O=C(CO)Cc1ncccc1Br 1458a_100000210174_100025702911 [0,1,0,0,0,1|2,0,0]=4 1945 B12R1.371 O=C(CO)Cc1ncccc1Cl 1458a_100000210174_100000099807 [0,1,0,0,0,1|2,0,0]=4 1946 B12R1.371 O=C(CO)Cc1ncccc1F 1458a_100000210174_100000104219 [0,1,0,0,0,1|2,0,0]=4 1947 B12R1.371 O=C(CO)Cc1ncccc1O 1458a_100000210174_200020655725 [0,1,0,0,0,1|2,0,0]=4 1948 B12R1.1009 CC(=Cc1c(ccnc1C)C)C 271570a_100102525489_100012000501 [0,1,0,0,0,1|2,0,0]=4 1949 B12R1.1009 CC(=Cc1c(ccnc1C)N)C 271570a_100102525489_100010243816 [0,1,0,0,0,1|2,0,0]=4 1950 B12R1.1009 CC(=O)Cc1c(cccc1Br)C 1458a_100000070787_100010146847 [0,1,0,0,0,1|2,0,0]=4 1951 B12R1.1009 CC(=O)Cc1c(cccc1Br)C 1458a_100010147022_200000210301 [0,1,0,0,0,1|2,0,0]=4 1952 B12R1.1009 CC(=O)Cc1c(cccc1C)C 1458a_100000070787_100000758300 [0,1,0,0,0,1|2,0,0]=4 1953 B12R1.1009 CC(=O)Cc1c(cccc1C)C 1458a_100000689862_200000210301 [0,1,0,0,0,1|2,0,0]=4 1954 B12R1.1009 CC(=O)Cc1c(cccc1F)C 1458a_100000070787_100009814554 [0,1,0,0,0,1|2,0,0]=4 1955 B12R1.1009 CC(=O)Cc1c(cccc1I)C 1458a_100000070787_100010150146 [0,1,0,0,0,1|2,0,0]=4 1956 B12R1.1009 CC(=O)Nc1c(cccc1Br)C 11a_100011834072_100015343762 [0,1,0,0,0,1|2,0,0]=4 1957 B12R1.1009 CC(=O)Nc1c(cccc1Br)C 1626a_100011834072_100015343762 [0,1,0,0,0,1|2,0,0]=4 1958 B12R1.1009 CC(=O)Nc1c(cccc1C)C 11a_100000185769_100015343762 [0,1,0,0,0,1|2,0,0]=4 1959 B12R1.1009 CC(=O)Nc1c(cccc1C)C 1626a_100000185769_100015343762 [0,1,0,0,0,1|2,0,0]=4 1960 B12R1.1009 CC(=O)Nc1c(cccc1C)C 22a_100000185769_100000070787 [0,1,0,0,0,1|2,0,0]=4 1961 B12R1.1009 CC(=O)Nc1c(cccc1Cl)C 11a_100000756524_100015343762 [0,1,0,0,0,1|2,0,0]=4 1962 B12R1.1009 CC(=O)Nc1c(cccc1Cl)C 1626a_100000756524_100015343762 [0,1,0,0,0,1|2,0,0]=4 1963 B12R1.1009 CC(=O)Nc1c(cccc1F)C 11a_100000766463_100015343762 [0,1,0,0,0,1|2,0,0]=4 1964 B12R1.1009 CC(=O)Nc1c(cccc1F)C 1626a_100000766463_100015343762 [0,1,0,0,0,1|2,0,0]=4 1965 B12R1.1009 CC(=O)Nc1c(cccc1F)C 22a_100000766463_100000070787 [0,1,0,0,0,1|2,0,0]=4 1966 B12R1.1009 CC(=O)Nc1c(cccc1O)C 22a_100000743429_100000070787 [0,1,0,0,0,1|2,0,0]=4 1967 B12R1.1009 CC(=O)Nc1c(cccc1O)C 527a_100000743429_100103153847 [0,1,0,0,0,1|2,0,0]=4 1968 B12R1.1009 Cc1cccc(c1CC(=O)[13CH3])Br 1458a_100010147022_200025704644 [0,1,0,0,0,1|2,0,0]=4 1969 B12R1.1009 Cc1cccc(c1CC(=O)[13CH3])C 1458a_100000689862_200025704644 [0,1,0,0,0,1|2,0,0]=4 1970 B12R1.46 C=C(C)c1cc(cnc1CC)N 271570a_100000694244_100013085292 [0,2,0,0,0,0|2,0,0]=4 1971 B12R1.46 C=C(C)c1cc(cnc1OC)Br 271570a_100000694244_100009814608 [0,2,0,0,0,0|2,0,0]=4 1972 B12R1.46 C=C(C)c1cc(cnc1OC)C 271570a_100000694244_100012353929 [0,2,0,0,0,0|2,0,0]=4 1973 B12R1.46 C=C(C)c1cc(cnc1OC)F 271570a_100000694244_100009828472 [0,2,0,0,0,0|2,0,0]=4 1974 B12R1.46 C=C(C)c1cc(cnc1OC)N 271570a_100000694244_100012351452 [0,2,0,0,0,0|2,0,0]=4 1975 B12R1.46 C=C(C)c1nc(ccc1CO)C 271570a_100000694244_102495338573 [0,2,0,0,0,0|2,0,0]=4 1976 B12R1.46 C=C(C)c1nc(ccc1OC)C 271570a_100000694244_100009820875 [0,2,0,0,0,0|2,0,0]=4 1977 B12R1.46 C=C(C)c1nc(ccc1OC)N 271570a_100000694244_100010172607 [0,2,0,0,0,0|2,0,0]=4 1978 B12R1.46 C=C(C)c1nc(cnc1C#N)N 271570a_100000694244_100000099870 [0,2,0,0,0,0|1,0,1]=4 1979 B12R1.46 C=Cc1ncc(cc1C(=O)C)F 271570a_100011290941_100000118324 [0,2,0,0,0,0|1,0,1]=4 1980 B12R1.46 CC(=O)c1cc(ccc1O[13CH3])Br 34a_100000212127_200025704644 [0,2,0,0,0,0|2,0,0]=4 1981 B12R1.46 CC(=O)c1cc(ccc1O[13CH3])Br 7a_100000212127_200025704644 [0,2,0,0,0,0|2,0,0]=4 1982 B12R1.46 CC(=O)c1cc(ccc1O[13CH3])C 34a_100000195442_200025704644 [0,2,0,0,0,0|2,0,0]=4 1983 B12R1.46 CC(=O)c1cc(ccc1O[13CH3])C 7a_100000195442_200025704644 [0,2,0,0,0,0|2,0,0]=4 1984 B12R1.46 CC(=O)c1cc(ccc1O[13CH3])Cl 34a_100000185566_200025704644 [0,2,0,0,0,0|2,0,0]=4 1985 B12R1.46 CC(=O)c1cc(ccc1O[13CH3])Cl 7a_100000185566_200025704644 [0,2,0,0,0,0|2,0,0]=4 1986 B12R1.46 CC(=O)c1cc(ccc1O[13CH3])F 7a_100000182812_200025704644 [0,2,0,0,0,0|2,0,0]=4 1987 B12R1.46 CC(=O)c1cc(ccc1O[13CH3])I 7a_100010712555_200025704644 [0,2,0,0,0,0|2,0,0]=4 1988 B12R1.46 CC(=O)c1cc(ccc1O[13CH3])N 34a_100011218865_200025704644 [0,2,0,0,0,0|2,0,0]=4 1989 B12R1.46 CC(=O)c1cc(ccc1S[13CH3])Br 62a_100012349576_200025704644 [0,2,0,0,0,0|2,0,0]=4 1990 B12R1.46 CC(=O)c1cc(ccc1S[13CH3])C 62a_100012361225_200025704644 [0,2,0,0,0,0|2,0,0]=4 1991 B12R1.46 CC(=O)c1cc(ccc1S[13CH3])C 62a_200025704644_100012361225 [0,2,0,0,0,0|2,0,0]=4 1992 B12R1.46 CC(=O)c1cc(ccc1S[13CH3])F 62a_100012353695_200025704644 [0,2,0,0,0,0|2,0,0]=4 1993 B12R1.46 CC(=O)c1cc(ccc1S[13CH3])F 62a_200025704644_100010200798 [0,2,0,0,0,0|2,0,0]=4 1994 B12R1.46 CC(=O)c1cc(ccc1S[13CH3])N 62a_100012349454_200025704644 [0,2,0,0,0,0|2,0,0]=4 1995 B12R1.46 CC(=O)c1cc(cnc1S[13CH3])F 62a_100000118324_200025704644 [0,2,0,0,0,0|1,0,0]=3 1996 B12R1.46 CC(=O)c1cc(cnc1S[13CH3])F 62a_200025704644_100000118324 [0,2,0,0,0,0|1,0,0]=3 1997 B12R1.46 CCc1ccc(cc1C(=O)C)Br 1458a_100012343961_200000210301 [0,2,0,0,0,0|2,0,0]=4 1998 B12R1.46 CCc1ccc(cc1C(=O)[13CH3])Br 1458a_100012343961_200025704644 [0,2,0,0,0,0|2,0,0]=4 1999 B12R1.46 CNc1ncc(cc1C(=O)N)F 27a_100102657272_100012183597 [0,2,0,0,0,0|2,0,0]=4 2000 B12R1.46 COc1ccc(cc1C(=O)C)Br 1458a_100000188853_200000210301 [0,2,0,0,0,0|2,0,0]=4 2001 B12R1.46 COc1ccc(cc1C(=O)C)Br 34a_100000212127_200000210301 [0,2,0,0,0,0|2,0,0]=4 2002 B12R1.46 COc1ccc(cc1C(=O)C)Br 7a_100000212127_200000210301 [0,2,0,0,0,0|2,0,0]=4 2003 B12R1.46 COc1ccc(cc1C(=O)C)C 1458a_100000204667_200000210301 [0,2,0,0,0,0|2,0,0]=4 2004 B12R1.46 COc1ccc(cc1C(=O)C)C 34a_100000195442_200000210301 [0,2,0,0,0,0|2,0,0]=4 2005 B12R1.46 COc1ccc(cc1C(=O)C)C 7a_100000195442_200000210301 [0,2,0,0,0,0|2,0,0]=4 2006 B12R1.46 COc1ccc(cc1C(=O)C)Cl 1458a_100000211409_200000210301 [0,2,0,0,0,0|2,0,0]=4 2007 B12R1.46 COc1ccc(cc1C(=O)C)Cl 34a_100000185566_200000210301 [0,2,0,0,0,0|2,0,0]=4 2008 B12R1.46 COc1ccc(cc1C(=O)C)Cl 7a_100000185566_200000210301 [0,2,0,0,0,0|2,0,0]=4 2009 B12R1.46 COc1ccc(cc1C(=O)C)F 1458a_100000735445_200000210301 [0,2,0,0,0,0|2,0,0]=4 2010 B12R1.46 COc1ccc(cc1C(=O)C)F 7a_100000182812_200000210301 [0,2,0,0,0,0|2,0,0]=4 2011 B12R1.46 COc1ccc(cc1C(=O)C)I 1458a_100000230898_200000210301 [0,2,0,0,0,0|2,0,0]=4 2012 B12R1.46 COc1ccc(cc1C(=O)C)I 7a_100010712555_200000210301 [0,2,0,0,0,0|2,0,0]=4 2013 B12R1.46 COc1ccc(cc1C(=O)C)N 34a_100011218865_200000210301 [0,2,0,0,0,0|2,0,0]=4 2014 B12R1.46 COc1ccc(cc1C(=O)C)O 1458a_200000100057_200000210301 [0,2,0,0,0,0|2,0,0]=4 2015 B12R1.46 COc1ccc(cc1C(=O)C)O 271570a_203496583355_100000173343 [0,2,0,0,0,0|2,0,0]=4 2016 B12R1.46 COc1ccc(cc1C(=O)[13CH3])Br 1458a_100000188853_200025704644 [0,2,0,0,0,0|2,0,0]=4 2017 B12R1.46 COc1ccc(cc1C(=O)[13CH3])C 1458a_100000204667_200025704644 [0,2,0,0,0,0|2,0,0]=4 2018 B12R1.46 COc1ccc(cc1C(=O)[13CH3])Cl 1458a_100000211409_200025704644 [0,2,0,0,0,0|2,0,0]=4 2019 B12R1.46 COc1ccc(cc1C(=O)[13CH3])F 1458a_100000735445_200025704644 [0,2,0,0,0,0|2,0,0]=4 2020 B12R1.46 COc1ccc(cc1C(=O)[13CH3])I 1458a_100000230898_200025704644 [0,2,0,0,0,0|2,0,0]=4 2021 B12R1.46 COc1ccc(cc1C(=O)[13CH3])O 1458a_200000100057_200025704644 [0,2,0,0,0,0|2,0,0]=4 2022 B12R1.46 COc1ncc(cc1C(=O)C)O 271570a_203496583355_100010135678 [0,2,0,0,0,0|1,0,0]=3 2023 B12R1.46 CSc1ccc(cc1C(=O)C)Br 62a_100012349576_200000210301 [0,2,0,0,0,0|2,0,0]=4 2024 B12R1.46 CSc1ccc(cc1C(=O)C)C 62a_100012361225_200000210301 [0,2,0,0,0,0|2,0,0]=4 2025 B12R1.46 CSc1ccc(cc1C(=O)C)C 62a_200000210301_100012361225 [0,2,0,0,0,0|2,0,0]=4 2026 B12R1.46 CSc1ccc(cc1C(=O)C)F 62a_100012353695_200000210301 [0,2,0,0,0,0|2,0,0]=4 2027 B12R1.46 CSc1ccc(cc1C(=O)C)F 62a_200000210301_100010200798 [0,2,0,0,0,0|2,0,0]=4 2028 B12R1.46 CSc1ccc(cc1C(=O)C)N 62a_100012349454_200000210301 [0,2,0,0,0,0|2,0,0]=4 2029 B12R1.46 CSc1ncc(cc1C(=O)C)F 62a_100000118324_200000210301 [0,2,0,0,0,0|1,0,0]=3 2030 B12R1.46 CSc1ncc(cc1C(=O)C)F 62a_200000210301_100000118324 [0,2,0,0,0,0|1,0,0]=3 2031 B12R1.46 CSc1ncc(cc1C(=O)N)F 62a_100012183597_200000210301 [0,2,0,0,0,0|2,0,0]=4 2032 B12R1.46 CSc1ncc(cc1C(=O)N)F 62a_200000210301_100012183597 [0,2,0,0,0,0|2,0,0]=4 2033 B12R1.46 [13CH3]Sc1ncc(cc1C(=O)N)F 62a_100012183597_200025704644 [0,2,0,0,0,0|2,0,0]=4 2034 B12R1.46 [13CH3]Sc1ncc(cc1C(=O)N)F 62a_200025704644_100012183597 [0,2,0,0,0,0|2,0,0]=4 2035 B12R1.57 C=C(C)c1ccc(nc1CO)C 271570a_100000694244_100010074375 [0,2,0,0,0,0|2,0,0]=4 2036 B12R1.57 C=C(C)c1ccc(nc1CO)F 271570a_100000694244_100000701195 [0,2,0,0,0,0|2,0,0]=4 2037 B12R1.57 C=C(C)c1ccc(nc1OC)C 271570a_100000694244_100010138632 [0,2,0,0,0,0|2,0,0]=4 2038 B12R1.57 C=C(C)c1ccc(nc1OC)N 271570a_100000694244_100010187630 [0,2,0,0,0,0|2,0,0]=4 2039 B12R1.57 C=C(C)c1ncc(cc1CN)F 271570a_100000694244_100010760786 [0,2,0,0,0,0|2,0,0]=4 2040 B12R1.57 C=C(C)c1ncc(cc1CO)C 271570a_100000694244_100000118064 [0,2,0,0,0,0|2,0,0]=4 2041 B12R1.57 C=C(C)c1ncc(cc1CO)F 271570a_100000694244_100000079972 [0,2,0,0,0,0|2,0,0]=4 2042 B12R1.57 C=C(C)c1ncc(cc1OC)C 271570a_100000694244_200000118316 [0,2,0,0,0,0|2,0,0]=4 2043 B12R1.57 C=C(C)c1ncc(cc1OC)F 271570a_100000694244_100009867738 [0,2,0,0,0,0|2,0,0]=4 2044 B12R1.57 C=C(C)c1ncc(cc1OC)N 271570a_100000694244_100000097218 [0,2,0,0,0,0|2,0,0]=4 2045 B12R1.57 C=C(C)c1ncc(cc1SC)C 271570a_100000694244_100010884634 [0,2,0,0,0,0|2,0,0]=4 2046 B12R1.57 C=C(C)c1ncc(nc1OC)Br 271570a_100000694244_100010214903 [0,2,0,0,0,0|1,0,0]=3 2047 B12R1.57 C=C(C)c1ncc(nc1OC)N 271570a_100000694244_100010128448 [0,2,0,0,0,0|1,0,0]=3 2048 B12R1.57 CC(=O)c1ccc(cc1CO)Br 1458a_100010253900_200000210301 [0,2,0,0,0,0|2,0,0]=4 2049 B12R1.57 CC(=O)c1ccc(cc1CO)F 1458a_100013035055_200000210301 [0,2,0,0,0,0|2,0,0]=4 2050 B12R1.57 CC(=O)c1ccc(cc1O[13CH3])Br 7a_100000188348_200025704644 [0,2,0,0,0,0|2,0,0]=4 2051 B12R1.57 CC(=O)c1ccc(cc1O[13CH3])C 34a_100000234885_200025704644 [0,2,0,0,0,0|2,0,0]=4 2052 B12R1.57 CC(=O)c1ccc(cc1O[13CH3])C 7a_100000234885_200025704644 [0,2,0,0,0,0|2,0,0]=4 2053 B12R1.57 CC(=O)c1ccc(cc1O[13CH3])Cl 34a_100000061402_200025704644 [0,2,0,0,0,0|2,0,0]=4 2054 B12R1.57 CC(=O)c1ccc(cc1O[13CH3])Cl 7a_100000061402_200025704644 [0,2,0,0,0,0|2,0,0]=4 2055 B12R1.57 CC(=O)c1ccc(cc1O[13CH3])F 7a_100011215782_200025704644 [0,2,0,0,0,0|2,0,0]=4 2056 B12R1.57 CC(=O)c1ccc(cc1S[13CH3])C 62a_100012353930_200025704644 [0,2,0,0,0,0|2,0,0]=4 2057 B12R1.57 CC(=O)c1ccc(cc1S[13CH3])C 62a_200025704644_100012353930 [0,2,0,0,0,0|2,0,0]=4 2058 B12R1.57 CC(=O)c1ccc(cc1S[13CH3])F 62a_100000686192_200025704644 [0,2,0,0,0,0|2,0,0]=4 2059 B12R1.57 CC(=O)c1ccc(cc1S[13CH3])O 62a_100012340537_200025704644 [0,2,0,0,0,0|2,0,0]=4 2060 B12R1.57 CCc1cc(ccc1C(=O)C)Br 1458a_200012349896_200000210301 [0,2,0,0,0,0|2,0,0]=4 2061 B12R1.57 CCc1cc(ccc1C(=O)[13CH3])Br 1458a_200012349896_200025704644 [0,2,0,0,0,0|2,0,0]=4 2062 B12R1.57 CNc1cc(ccc1C(=O)C)F 27a_100102657272_100000686192 [0,2,0,0,0,0|2,0,0]=4 2063 B12R1.57 CNc1nc(ccc1C(=O)N)C 27a_100102657272_100000041523 [0,2,0,0,0,0|2,0,0]=4 2064 B12R1.57 CNc1nc(cnc1C(C)C)C 27a_100102657272_100015629263 [0,2,0,0,0,0|1,0,1]=4 2065 B12R1.57 COc1cc(ccc1C(=O)C)Br 1458a_100000748230_200000210301 [0,2,0,0,0,0|2,0,0]=4 2066 B12R1.57 COc1cc(ccc1C(=O)C)Br 7a_100000188348_200000210301 [0,2,0,0,0,0|2,0,0]=4 2067 B12R1.57 COc1cc(ccc1C(=O)C)C 1458a_100000217210_200000210301 [0,2,0,0,0,0|2,0,0]=4 2068 B12R1.57 COc1cc(ccc1C(=O)C)C 34a_100000234885_200000210301 [0,2,0,0,0,0|2,0,0]=4 2069 B12R1.57 COc1cc(ccc1C(=O)C)C 7a_100000234885_200000210301 [0,2,0,0,0,0|2,0,0]=4 2070 B12R1.57 COc1cc(ccc1C(=O)C)Cl 1458a_100000217211_200000210301 [0,2,0,0,0,0|2,0,0]=4 2071 B12R1.57 COc1cc(ccc1C(=O)C)Cl 34a_100000061402_200000210301 [0,2,0,0,0,0|2,0,0]=4 2072 B12R1.57 COc1cc(ccc1C(=O)C)Cl 7a_100000061402_200000210301 [0,2,0,0,0,0|2,0,0]=4 2073 B12R1.57 COc1cc(ccc1C(=O)C)F 1458a_100000239970_200000210301 [0,2,0,0,0,0|2,0,0]=4 2074 B12R1.57 COc1cc(ccc1C(=O)C)F 7a_100011215782_200000210301 [0,2,0,0,0,0|2,0,0]=4 2075 B12R1.57 COc1cc(ccc1C(=O)C)I 1458a_100012353712_200000210301 [0,2,0,0,0,0|2,0,0]=4 2076 B12R1.57 COc1cc(ccc1C(=O)C)O 271570a_203496583355_100000709911 [0,2,0,0,0,0|2,0,0]=4 2077 B12R1.57 COc1cc(ccc1C(=O)[13CH3])Br 1458a_100000748230_200025704644 [0,2,0,0,0,0|2,0,0]=4 2078 B12R1.57 COc1cc(ccc1C(=O)[13CH3])C 1458a_100000217210_200025704644 [0,2,0,0,0,0|2,0,0]=4 2079 B12R1.57 COc1cc(ccc1C(=O)[13CH3])Cl 1458a_100000217211_200025704644 [0,2,0,0,0,0|2,0,0]=4 2080 B12R1.57 COc1cc(ccc1C(=O)[13CH3])F 1458a_100000239970_200025704644 [0,2,0,0,0,0|2,0,0]=4 2081 B12R1.57 COc1cc(ccc1C(=O)[13CH3])I 1458a_100012353712_200025704644 [0,2,0,0,0,0|2,0,0]=4 2082 B12R1.57 COc1cc(cnc1C(=O)C)O 271570a_203496583355_100010137934 [0,2,0,0,0,0|1,0,0]=3 2083 B12R1.57 CSc1cc(ccc1C(=O)C)C 62a_100012353930_200000210301 [0,2,0,0,0,0|2,0,0]=4 2084 B12R1.57 CSc1cc(ccc1C(=O)C)C 62a_200000210301_100012353930 [0,2,0,0,0,0|2,0,0]=4 2085 B12R1.57 CSc1cc(ccc1C(=O)C)F 62a_100000686192_200000210301 [0,2,0,0,0,0|2,0,0]=4 2086 B12R1.57 CSc1cc(ccc1C(=O)C)O 62a_100012340537_200000210301 [0,2,0,0,0,0|2,0,0]=4 2087 B12R1.57 CSc1nc(ccc1C(=O)N)C 62a_100000041523_200000210301 [0,2,0,0,0,0|2,0,0]=4 2088 B12R1.57 CSc1nc(ccc1C(=O)N)C 62a_200000210301_100000041523 [0,2,0,0,0,0|2,0,0]=4 2089 B12R1.57 CSc1nc(cnc1C(C)C)C 62a_100015629263_200000210301 [0,2,0,0,0,0|1,0,1]=4 2090 B12R1.57 CSc1nc(cnc1C(C)C)C 62a_200000210301_100015629263 [0,2,0,0,0,0|1,0,1]=4 2091 B12R1.57 Cc1ccc(c(n1)S[13CH3])C(=O)N 62a_100000041523_200025704644 [0,2,0,0,0,0|2,0,0]=4 2092 B12R1.57 Cc1ccc(c(n1)S[13CH3])C(=O)N 62a_200025704644_100000041523 [0,2,0,0,0,0|2,0,0]=4 2093 B12R1.57 Cc1cnc(c(n1)S[13CH3])C(C)C 62a_100015629263_200025704644 [0,2,0,0,0,0|1,0,1]=4 2094 B12R1.57 Cc1cnc(c(n1)S[13CH3])C(C)C 62a_200025704644_100015629263 [0,2,0,0,0,0|1,0,1]=4 2095 B12R1.57 [13CH3]C(=O)c1ccc(cc1CO)Br 1458a_100010253900_200025704644 [0,2,0,0,0,0|2,0,0]=4 2096 B12R1.57 [13CH3]C(=O)c1ccc(cc1CO)F 1458a_100013035055_200025704644 [0,2,0,0,0,0|2,0,0]=4 2097 B12R1.76 CS(=O)(=O)c1ncccc1S[13CH3] 62a_100009830116_200025704644 [0,2,0,0,0,0|2,0,0]=4 2098 B12R1.76 CS(=O)(=O)c1ncccc1S[13CH3] 62a_200025704644_100009830116 [0,2,0,0,0,0|2,0,0]=4 2099 B12R1.76 CSc1cccnc1S(=O)(=O)C 62a_100009830116_200000210301 [0,2,0,0,0,0|2,0,0]=4 2100 B12R1.76 CSc1cccnc1S(=O)(=O)C 62a_200000210301_100009830116 [0,2,0,0,0,0|2,0,0]=4 2101 B12R1.77 C=Cc1cccnc1C(=O)OC 271570a_100011290941_100011935214 [0,2,0,0,0,0|1,0,1]=4 2102 B12R1.77 C=Cc1ncccc1C(=O)NC 271570a_100011290941_100000159833 [0,2,0,0,0,0|1,0,1]=4 2103 B12R1.77 C=Cc1ncccc1C(=O)OC 271570a_100011290941_100000150852 [0,2,0,0,0,0|1,0,1]=4 2104 B12R1.77 C=Cc1nccnc1C(=O)OC 271570a_100011290941_100000688410 [0,2,0,0,0,0|0,0,1]=3 2105 B12R1.77 CCC(=O)c1ccccc1CC 1458a_100000689120_100000210202 [0,2,0,0,0,0|2,0,0]=4 2106 B12R1.77 CCC(=O)c1ccccc1CO 1458a_100011301526_100000210202 [0,2,0,0,0,0|2,0,0]=4 2107 B12R1.77 CCC(=O)c1ccccc1OC 1458a_100000185835_100000210202 [0,2,0,0,0,0|2,0,0]=4 2108 B12R1.77 CCC(=O)c1ccccc1OC 7a_100000184720_200000210301 [0,2,0,0,0,0|2,0,0]=4 2109 B12R1.77 CCC(=O)c1ccccc1O[13CH3] 7a_100000184720_200025704644 [0,2,0,0,0,0|2,0,0]=4 2110 B12R1.77 CCC(=O)c1ccccc1SC 1458a_100000183967_100000210202 [0,2,0,0,0,0|2,0,0]=4 2111 B12R1.77 CCc1ccccc1C(=O)CF 1458a_100000689120_100015361967 [0,2,0,0,0,0|2,0,0]=4 2112 B12R1.77 CCc1ccccc1C(=O)NC 11a_106832991635_100000689120 [0,2,0,0,0,0|2,0,0]=4 2113 B12R1.77 CCc1ccccc1C(=O)NC 1626a_100102657272_100000689120 [0,2,0,0,0,0|2,0,0]=4 2114 B12R1.77 CCc1ccccc1C(=O)NC 240690a_100102657272_100000689120 [0,2,0,0,0,0|2,0,0]=4 2115 B12R1.77 CCc1ccccc1C(=O)NC 527a_100102657272_100000689120 [0,2,0,0,0,0|2,0,0]=4 2116 B12R1.77 CCc1nccnc1C(C)NC 269862a_106832991636_100000033879 [0,2,0,0,0,0|1,0,1]=4 2117 B12R1.77 CNC(=O)c1ccccc1NC 27a_100102657272_100000155073 [0,2,0,0,0,0|2,0,0]=4 2118 B12R1.77 CNC(=O)c1ccccc1NC 34a_100000185696_200000210301 [0,2,0,0,0,0|2,0,0]=4 2119 B12R1.77 CNC(=O)c1ccccc1N[13CH3] 34a_100000185696_200025704644 [0,2,0,0,0,0|2,0,0]=4 2120 B12R1.77 CNC(=O)c1ccccc1OC 11a_106832991635_100000185835 [0,2,0,0,0,0|2,0,0]=4 2121 B12R1.77 CNC(=O)c1ccccc1OC 1626a_100102657272_100000185835 [0,2,0,0,0,0|2,0,0]=4 2122 B12R1.77 CNC(=O)c1ccccc1OC 240690a_100102657272_100000185835 [0,2,0,0,0,0|2,0,0]=4 2123 B12R1.77 CNC(=O)c1ccccc1OC 34a_100000185920_200000210301 [0,2,0,0,0,0|2,0,0]=4 2124 B12R1.77 CNC(=O)c1ccccc1OC 527a_100102657272_100000185835 [0,2,0,0,0,0|2,0,0]=4 2125 B12R1.77 CNC(=O)c1ccccc1OC 7a_100000185920_200000210301 [0,2,0,0,0,0|2,0,0]=4 2126 B12R1.77 CNC(=O)c1ccccc1O[13CH3] 34a_100000185920_200025704644 [0,2,0,0,0,0|2,0,0]=4 2127 B12R1.77 CNC(=O)c1ccccc1O[13CH3] 7a_100000185920_200025704644 [0,2,0,0,0,0|2,0,0]=4 2128 B12R1.77 CNC(=O)c1ccccc1SC 11a_106832991635_100000183967 [0,2,0,0,0,0|2,0,0]=4 2129 B12R1.77 CNC(=O)c1ccccc1SC 1626a_100102657272_100000183967 [0,2,0,0,0,0|2,0,0]=4 2130 B12R1.77 CNC(=O)c1ccccc1SC 240690a_100102657272_100000183967 [0,2,0,0,0,0|2,0,0]=4 2131 B12R1.77 CNC(=O)c1ccccc1SC 527a_100102657272_100000183967 [0,2,0,0,0,0|2,0,0]=4 2132 B12R1.77 CNC(=O)c1ccccc1SC 62a_100000155073_200000210301 [0,2,0,0,0,0|2,0,0]=4 2133 B12R1.77 CNC(=O)c1ccccc1SC 62a_200000210301_100000155073 [0,2,0,0,0,0|2,0,0]=4 2134 B12R1.77 CNC(=O)c1ccccc1S[13CH3] 62a_100000155073_200025704644 [0,2,0,0,0,0|2,0,0]=4 2135 B12R1.77 CNC(=O)c1ccccc1S[13CH3] 62a_200025704644_100000155073 [0,2,0,0,0,0|2,0,0]=4 2136 B12R1.77 CNC(=O)c1cccnc1NC 27a_100102657272_100000159833 [0,2,0,0,0,0|1,0,0]=3 2137 B12R1.77 CNC(=O)c1cccnc1SC 62a_100000159833_200000210301 [0,2,0,0,0,0|1,0,0]=3 2138 B12R1.77 CNC(=O)c1cccnc1SC 62a_200000210301_100000159833 [0,2,0,0,0,0|1,0,0]=3 2139 B12R1.77 CNC(=O)c1cccnc1S[13CH3] 62a_100000159833_200025704644 [0,2,0,0,0,0|1,0,0]=3 2140 B12R1.77 CNC(=O)c1cccnc1S[13CH3] 62a_200025704644_100000159833 [0,2,0,0,0,0|1,0,0]=3 2141 B12R1.77 CNC(=O)c1ncccc1OC 34a_100011376092_200000210301 [0,2,0,0,0,0|1,0,0]=3 2142 B12R1.77 CNC(=O)c1ncccc1OC 7a_100011376092_200000210301 [0,2,0,0,0,0|1,0,0]=3 2143 B12R1.77 CNC(=O)c1ncccc1O[13CH3] 34a_100011376092_200025704644 [0,2,0,0,0,0|1,0,0]=3 2144 B12R1.77 CNC(=O)c1ncccc1O[13CH3] 7a_100011376092_200025704644 [0,2,0,0,0,0|1,0,0]=3 2145 B12R1.77 CNc1ncccc1C(=O)OC 27a_100102657272_100000150852 [0,2,0,0,0,0|1,0,0]=3 2146 B12R1.77 CNc1nccnc1C(=O)OC 27a_100102657272_100000079898 [0,2,0,0,0,0|0,0,0]=2 2147 B12R1.77 CNc1ncncc1C(=O)OC 27a_100102657272_100000726419 [0,2,0,0,0,0|2,0,0]=4 2148 B12R1.77 COC(=O)c1ccccc1OC 7a_100000150335_200000210301 [0,2,0,0,0,0|2,0,0]=4 2149 B12R1.77 COC(=O)c1ccccc1O[13CH3] 7a_100000150335_200025704644 [0,2,0,0,0,0|2,0,0]=4 2150 B12R1.77 COC(=O)c1ccccc1SC 62a_100000148710_200000210301 [0,2,0,0,0,0|2,0,0]=4 2151 B12R1.77 COC(=O)c1ccccc1SC 62a_200000210301_100000148710 [0,2,0,0,0,0|2,0,0]=4 2152 B12R1.77 COC(=O)c1ccccc1S[13CH3] 62a_100000148710_200025704644 [0,2,0,0,0,0|2,0,0]=4 2153 B12R1.77 COC(=O)c1ccccc1S[13CH3] 62a_200025704644_100000148710 [0,2,0,0,0,0|2,0,0]=4 2154 B12R1.77 COC(=O)c1cccnc1SC 62a_100011587185_200000210301 [0,2,0,0,0,0|1,0,0]=3 2155 B12R1.77 COC(=O)c1cccnc1SC 62a_200000210301_100000150852 [0,2,0,0,0,0|1,0,0]=3 2156 B12R1.77 COC(=O)c1cccnc1S[13CH3] 62a_100011587185_200025704644 [0,2,0,0,0,0|1,0,0]=3 2157 B12R1.77 COC(=O)c1cccnc1S[13CH3] 62a_200025704644_100000150852 [0,2,0,0,0,0|1,0,0]=3 2158 B12R1.77 COC(=O)c1cncnc1SC 62a_100000726419_200000210301 [0,2,0,0,0,0|2,0,0]=4 2159 B12R1.77 COC(=O)c1cncnc1SC 62a_200000210301_100000726419 [0,2,0,0,0,0|2,0,0]=4 2160 B12R1.77 COC(=O)c1cncnc1S[13CH3] 62a_100000726419_200025704644 [0,2,0,0,0,0|2,0,0]=4 2161 B12R1.77 COC(=O)c1cncnc1S[13CH3] 62a_200025704644_100000726419 [0,2,0,0,0,0|2,0,0]=4 2162 B12R1.77 COC(=O)c1ncccc1OC 34a_100000744052_200000210301 [0,2,0,0,0,0|1,0,0]=3 2163 B12R1.77 COC(=O)c1ncccc1OC 7a_100000744052_200000210301 [0,2,0,0,0,0|1,0,0]=3 2164 B12R1.77 COC(=O)c1ncccc1O[13CH3] 34a_100000744052_200025704644 [0,2,0,0,0,0|1,0,0]=3 2165 B12R1.77 COC(=O)c1ncccc1O[13CH3] 7a_100000744052_200025704644 [0,2,0,0,0,0|1,0,0]=3 2166 B12R1.77 COC(=O)c1ncccc1SC 62a_100011935214_200000210301 [0,2,0,0,0,0|1,0,0]=3 2167 B12R1.77 COC(=O)c1ncccc1SC 62a_200000210301_100011935214 [0,2,0,0,0,0|1,0,0]=3 2168 B12R1.77 COC(=O)c1ncccc1S[13CH3] 62a_100011935214_200025704644 [0,2,0,0,0,0|1,0,0]=3 2169 B12R1.77 COC(=O)c1ncccc1S[13CH3] 62a_200025704644_100011935214 [0,2,0,0,0,0|1,0,0]=3 2170 B12R1.77 COC(=O)c1nccnc1SC 62a_100000688410_200000210301 [0,2,0,0,0,0|0,0,0]=2 2171 B12R1.77 COC(=O)c1nccnc1SC 62a_200000210301_100000079898 [0,2,0,0,0,0|0,0,0]=2 2172 B12R1.77 COC(=O)c1nccnc1S[13CH3] 62a_100000688410_200025704644 [0,2,0,0,0,0|0,0,0]=2 2173 B12R1.77 COC(=O)c1nccnc1S[13CH3] 62a_200025704644_100000079898 [0,2,0,0,0,0|0,0,0]=2 2174 B12R1.77 COC(=O)c1ncncc1SC 62a_100012360100_200000210301 [0,2,0,0,0,0|2,0,0]=4 2175 B12R1.77 COC(=O)c1ncncc1SC 62a_200000210301_100012360100 [0,2,0,0,0,0|2,0,0]=4 2176 B12R1.77 COC(=O)c1ncncc1S[13CH3] 62a_100012360100_200025704644 [0,2,0,0,0,0|2,0,0]=4 2177 B12R1.77 COC(=O)c1ncncc1S[13CH3] 62a_200025704644_100012360100 [0,2,0,0,0,0|2,0,0]=4 2178 B12R1.77 COc1ccccc1C(=O)CBr 7a_100000188908_200000210301 [0,2,0,0,0,0|2,0,0]=4 2179 B12R1.77 COc1ccccc1C(=O)CF 1458a_100000185835_100015361967 [0,2,0,0,0,0|2,0,0]=4 2180 B12R1.77 CSc1ccccc1C(=O)CF 1458a_100000183967_100015361967 [0,2,0,0,0,0|2,0,0]=4 2181 B12R1.77 O=C(CF)c1ccccc1CO 1458a_100011301526_100015361967 [0,2,0,0,0,0|2,0,0]=4 2182 B12R1.77 [13CH3]Oc1ccccc1C(=O)CBr 7a_100000188908_200025704644 [0,2,0,0,0,0|2,0,0]=4 2183 B12R1.87 C=C(C)c1nccc(c1OC)N 271570a_100000694244_100000104429 [0,2,0,0,0,0|2,0,0]=4 2184 B12R1.87 C=C(C)c1nccc(c1OC)O 271570a_100000694244_100000104430 [0,2,0,0,0,0|2,0,0]=4 2185 B12R1.87 CC(=O)c1cccc(c1O[13CH3])C 34a_100009847209_200025704644 [0,2,0,0,0,0|2,0,0]=4 2186 B12R1.87 CC(=O)c1cccc(c1O[13CH3])C 7a_100009847209_200025704644 [0,2,0,0,0,0|2,0,0]=4 2187 B12R1.87 CC(=O)c1cccc(c1O[13CH3])Cl 34a_100000043392_200025704644 [0,2,0,0,0,0|2,0,0]=4 2188 B12R1.87 CC(=O)c1cccc(c1O[13CH3])Cl 7a_100000043392_200025704644 [0,2,0,0,0,0|2,0,0]=4 2189 B12R1.87 CC(=O)c1cccc(c1O[13CH3])F 34a_100011246037_200025704644 [0,2,0,0,0,0|2,0,0]=4 2190 B12R1.87 CC(=O)c1cccc(c1O[13CH3])F 7a_100011246037_200025704644 [0,2,0,0,0,0|2,0,0]=4 2191 B12R1.87 CC(=O)c1cccc(c1S[13CH3])F 62a_100012362612_200025704644 [0,2,0,0,0,0|2,0,0]=4 2192 B12R1.87 CC(=O)c1cccc(c1S[13CH3])F 62a_200025704644_100012362612 [0,2,0,0,0,0|2,0,0]=4 2193 B12R1.87 CCc1c(cccc1C(=O)C)Br 1458a_100010125490_200000210301 [0,2,0,0,0,0|2,0,0]=4 2194 B12R1.87 CCc1c(cccc1C(=O)[13CH3])Br 1458a_100010125490_200025704644 [0,2,0,0,0,0|2,0,0]=4 2195 B12R1.87 COc1c(cccc1C(=O)C)Br 1458a_100000689802_200000210301 [0,2,0,0,0,0|2,0,0]=4 2196 B12R1.87 COc1c(cccc1C(=O)C)C 1458a_100000187929_200000210301 [0,2,0,0,0,0|2,0,0]=4 2197 B12R1.87 COc1c(cccc1C(=O)C)C 34a_100009847209_200000210301 [0,2,0,0,0,0|2,0,0]=4 2198 B12R1.87 COc1c(cccc1C(=O)C)C 7a_100009847209_200000210301 [0,2,0,0,0,0|2,0,0]=4 2199 B12R1.87 COc1c(cccc1C(=O)C)Cl 1458a_100011934004_200000210301 [0,2,0,0,0,0|2,0,0]=4 2200 B12R1.87 COc1c(cccc1C(=O)C)Cl 34a_100000043392_200000210301 [0,2,0,0,0,0|2,0,0]=4 2201 B12R1.87 COc1c(cccc1C(=O)C)Cl 7a_100000043392_200000210301 [0,2,0,0,0,0|2,0,0]=4 2202 B12R1.87 COc1c(cccc1C(=O)C)F 1458a_100011218433_200000210301 [0,2,0,0,0,0|2,0,0]=4 2203 B12R1.87 COc1c(cccc1C(=O)C)F 34a_100011246037_200000210301 [0,2,0,0,0,0|2,0,0]=4 2204 B12R1.87 COc1c(cccc1C(=O)C)F 7a_100011246037_200000210301 [0,2,0,0,0,0|2,0,0]=4 2205 B12R1.87 COc1c(cccc1C(=O)C)O 1458a_100000080799_200000210301 [0,2,0,0,0,0|2,0,0]=4 2206 B12R1.87 COc1c(cccc1C(=O)C)O 271570a_203496583355_100010725610 [0,2,0,0,0,0|2,0,0]=4 2207 B12R1.87 COc1c(cccc1C(=O)[13CH3])Br 1458a_100000689802_200025704644 [0,2,0,0,0,0|2,0,0]=4 2208 B12R1.87 COc1c(cccc1C(=O)[13CH3])C 1458a_100000187929_200025704644 [0,2,0,0,0,0|2,0,0]=4 2209 B12R1.87 COc1c(cccc1C(=O)[13CH3])Cl 1458a_100011934004_200025704644 [0,2,0,0,0,0|2,0,0]=4 2210 B12R1.87 COc1c(cccc1C(=O)[13CH3])F 1458a_100011218433_200025704644 [0,2,0,0,0,0|2,0,0]=4 2211 B12R1.87 COc1c(cccc1C(=O)[13CH3])O 1458a_100000080799_200025704644 [0,2,0,0,0,0|2,0,0]=4 2212 B12R1.87 CSc1c(cccc1C(=O)C)F 62a_100012362612_200000210301 [0,2,0,0,0,0|2,0,0]=4 2213 B12R1.87 CSc1c(cccc1C(=O)C)F 62a_200000210301_100012362612 [0,2,0,0,0,0|2,0,0]=4 2214 B12R1.261 C=C(C)c1ccccc1C(=O)C 271570a_100000694244_100000751169 [0,2,0,0,0,0|2,0,0]=4 2215 B12R1.261 C=C(C)c1cccnc1C(=O)C 271570a_100000694244_100012348690 [0,2,0,0,0,0|1,0,0]=3 2216 B12R1.261 C=C(C)c1cccnc1C(=O)N 271570a_100000694244_200012359670 [0,2,0,0,0,0|2,0,0]=4 2217 B12R1.261 C=C(C)c1cccnc1C(C)N 271570a_100000694244_100159271932 [0,2,0,0,0,0|2,0,0]=4 2218 B12R1.261 C=C(C)c1cccnc1C(F)F 271570a_100000694244_100010079810 [0,2,0,0,0,0|2,0,0]=4 2219 B12R1.261 C=C(C)c1cccnc1N(C)C 271570a_100000694244_100011465059 [0,2,0,0,0,0|2,0,0]=4 2220 B12R1.261 C=C(C)c1cccnc1[C@H](C)O 271570a_100000694244_100013325542 [0,2,0,0,0,0|2,0,0]=4 2221 B12R1.261 C=C(C)c1ncccc1C(=O)C 271570a_100000694244_100000753718 [0,2,0,0,0,0|1,0,0]=3 2222 B12R1.261 C=C(C)c1ncccc1C(=O)N 271570a_100000694244_100000162199 [0,2,0,0,0,0|2,0,0]=4 2223 B12R1.261 C=C(C)c1ncccc1C(C)C 271570a_100000694244_200010382935 [0,2,0,0,0,0|2,0,0]=4 2224 B12R1.261 C=C(C)c1ncccc1C(C)O 271570a_100000694244_100009865335 [0,2,0,0,0,0|2,0,0]=4 2225 B12R1.261 C=C(C)c1ncccc1C(F)F 271570a_100000694244_100010136063 [0,2,0,0,0,0|2,0,0]=4 2226 B12R1.261 C=C(C)c1nccnc1C(=O)C 271570a_100000694244_100000099859 [0,2,0,0,0,0|0,0,0]=2 2227 B12R1.261 C=C(C)c1nccnc1C(=O)N 271570a_100000694244_100000094861 [0,2,0,0,0,0|1,0,0]=3 2228 B12R1.261 C=C(C)c1nccnc1N(C)C 271570a_100000694244_100000703087 [0,2,0,0,0,0|1,0,0]=3 2229 B12R1.261 CC(=O)c1ccccc1C(C)C 1458a_100011941426_200000210301 [0,2,0,0,0,0|2,0,0]=4 2230 B12R1.261 CC(=O)c1ccccc1C(F)F 1458a_100009872251_200000210301 [0,2,0,0,0,0|2,0,0]=4 2231 B12R1.261 CC(=O)c1ccccc1N(C)C 1458a_100011218752_200000210301 [0,2,0,0,0,0|2,0,0]=4 2232 B12R1.261 CC(=O)c1ccccc1S(=O)C 1458a_100000204632_200000210301 [0,2,0,0,0,0|2,0,0]=4 2233 B12R1.261 CC(=O)c1cccnc1N(C)C 27a_100102631434_100009816689 [0,2,0,0,0,0|1,0,0]=3 2234 B12R1.261 CC(=O)c1nccnc1N(C)C 27a_100102631434_100000099859 [0,2,0,0,0,0|0,0,0]=2 2235 B12R1.261 CC(C)c1ccccc1C(=O)[13CH3] 1458a_100011941426_200025704644 [0,2,0,0,0,0|2,0,0]=4 2236 B12R1.261 CN(C)c1ccccc1C(=O)[13CH3] 1458a_100011218752_200025704644 [0,2,0,0,0,0|2,0,0]=4 2237 B12R1.261 CN(C)c1cccnc1C(=O)N 27a_100102631434_200012359670 [0,2,0,0,0,0|2,0,0]=4 2238 B12R1.261 CN(C)c1ncccc1C(=O)N 27a_100102631434_100000162199 [0,2,0,0,0,0|2,0,0]=4 2239 B12R1.261 CN(C)c1nccnc1C(=O)N 27a_100102631434_100000094861 [0,2,0,0,0,0|1,0,0]=3 2240 B12R1.261 CN(C)c1nccnc1N(C)C 27a_100102631434_100000703087 [0,2,0,0,0,0|2,0,0]=4 2241 B12R1.261 CS(=O)c1ccccc1C(=O)[13CH3] 1458a_100000204632_200025704644 [0,2,0,0,0,0|2,0,0]=4 2242 B12R1.261 [13CH3]C(=O)c1ccccc1C(F)F 1458a_100009872251_200025704644 [0,2,0,0,0,0|2,0,0]=4 2243 B12R1.283 C=C(C)c1cccnc1CC#N 271570a_100000694244_100011824415 [0,2,0,0,0,0|2,0,0]=4 2244 B12R1.283 C=C(C)c1cccnc1OCC 271570a_100000694244_100011465154 [0,2,0,0,0,0|2,0,0]=4 2245 B12R1.283 C=C(C)c1ncccc1CC#N 271570a_100000694244_100000096391 [0,2,0,0,0,0|2,0,0]=4 2246 B12R1.283 C=C(C)c1ncccc1CNC 271570a_100000694244_103496529121 [0,2,0,0,0,0|2,0,0]=4 2247 B12R1.283 C=C(C)c1ncccc1OCC 271570a_100000694244_100011597540 [0,2,0,0,0,0|2,0,0]=4 2248 B12R1.283 C=C(C)c1nccnc1OCC 271570a_100000694244_200010128176 [0,2,0,0,0,0|1,0,0]=3 2249 B12R1.283 C=C=Cc1cccnc1C(=O)C 271570a_100015277604_100012348690 [0,2,0,0,0,0|1,0,1]=4 2250 B12R1.283 C=C=Cc1ncccc1C(=O)C 271570a_100015277604_100000753718 [0,2,0,0,0,0|1,0,1]=4 2251 B12R1.283 C=C=Cc1nccnc1C(=O)C 271570a_100015277604_100000099859 [0,2,0,0,0,0|0,0,1]=3 2252 B12R1.283 C=C=Cc1nccnc1C(=O)N 271570a_100015277604_100000094861 [0,2,0,0,0,0|1,0,1]=4 2253 B12R1.283 CC(=O)c1ccccc1CC#N 1458a_100000010604_200000210301 [0,2,0,0,0,0|2,0,0]=4 2254 B12R1.283 CC(=O)c1ccccc1SCF 62a_100000751169_100015361967 [0,2,0,0,0,0|2,0,0]=4 2255 B12R1.283 CC(=O)c1cccnc1SCF 62a_100000753718_100015361967 [0,2,0,0,0,0|1,0,0]=3 2256 B12R1.283 CC(=O)c1cccnc1SCF 62a_100015361967_100000753718 [0,2,0,0,0,0|1,0,0]=3 2257 B12R1.283 CC(=O)c1ncccc1OCF 34a_100000087166_100015361967 [0,2,0,0,0,0|1,0,0]=3 2258 B12R1.283 CC(=O)c1ncccc1OCF 7a_100000087166_100015361967 [0,2,0,0,0,0|1,0,0]=3 2259 B12R1.283 CC(=O)c1ncccc1SCF 62a_100012348690_100015361967 [0,2,0,0,0,0|1,0,0]=3 2260 B12R1.283 CC(=O)c1ncccc1SCF 62a_100015361967_100012348690 [0,2,0,0,0,0|1,0,0]=3 2261 B12R1.283 CC(=O)c1nccnc1SCF 62a_100000099859_100015361967 [0,2,0,0,0,0|0,0,0]=2 2262 B12R1.283 CC(=O)c1nccnc1SCF 62a_100015361967_100000099859 [0,2,0,0,0,0|0,0,0]=2 2263 B12R1.283 CC=Cc1ccccc1C(=O)C 271570a_100016259895_100000751169 [0,2,0,0,0,0|2,0,0]=4 2264 B12R1.283 CC=Cc1cccnc1C(=O)C 271570a_100016259895_100012348690 [0,2,0,0,0,0|1,0,0]=3 2265 B12R1.283 CC=Cc1cccnc1C(=O)N 271570a_100016259895_200012359670 [0,2,0,0,0,0|2,0,0]=4 2266 B12R1.283 CC=Cc1ncccc1C(=O)C 271570a_100016259895_100000753718 [0,2,0,0,0,0|1,0,0]=3 2267 B12R1.283 CC=Cc1ncccc1C(=O)N 271570a_100016259895_100000162199 [0,2,0,0,0,0|2,0,0]=4 2268 B12R1.283 CC=Cc1nccnc1C(=O)C 271570a_100016259895_100000099859 [0,2,0,0,0,0|0,0,0]=2 2269 B12R1.283 CC=Cc1nccnc1C(=O)N 271570a_100016259895_100000094861 [0,2,0,0,0,0|1,0,0]=3 2270 B12R1.283 CC=Cc1nccnc1N(C)C 271570a_100016259895_100000703087 [0,2,0,0,0,0|2,0,0]=4 2271 B12R1.283 CCNc1cccnc1C(=O)N 27a_100015525214_200012359670 [0,2,0,0,0,0|2,0,0]=4 2272 B12R1.283 CCNc1ncccc1C(=O)C 27a_100015525214_100009816689 [0,2,0,0,0,0|1,0,0]=3 2273 B12R1.283 CCNc1ncccc1C(=O)N 27a_100015525214_100000162199 [0,2,0,0,0,0|2,0,0]=4 2274 B12R1.283 CCNc1nccnc1C(=O)C 27a_100015525214_100000099859 [0,2,0,0,0,0|0,0,0]=2 2275 B12R1.283 CCNc1nccnc1C(=O)N 27a_100015525214_100000094861 [0,2,0,0,0,0|1,0,0]=3 2276 B12R1.283 CCNc1nccnc1N(C)C 27a_100015525214_100000703087 [0,2,0,0,0,0|2,0,0]=4 2277 B12R1.283 CCOc1ccccc1C(=O)C 1458a_100000211144_200000210301 [0,2,0,0,0,0|2,0,0]=4 2278 B12R1.283 CCOc1ccccc1C(=O)[13CH3] 1458a_100000211144_200025704644 [0,2,0,0,0,0|2,0,0]=4 2279 B12R1.283 CCOc1cccnc1C(=O)C 34a_100000087166_100000210202 [0,2,0,0,0,0|1,0,0]=3 2280 B12R1.283 CCOc1cccnc1C(=O)C 7a_100000087166_100000210202 [0,2,0,0,0,0|1,0,0]=3 2281 B12R1.283 CCOc1cccnc1C(=O)N 34a_200011215183_100000210202 [0,2,0,0,0,0|2,0,0]=4 2282 B12R1.283 CCOc1cccnc1C(=O)N 7a_200011215183_100000210202 [0,2,0,0,0,0|2,0,0]=4 2283 B12R1.283 CCOc1nccnc1C(=O)N 34a_100011830332_100000210202 [0,2,0,0,0,0|1,0,0]=3 2284 B12R1.283 CCOc1nccnc1N(C)C 27a_100102631434_200010128176 [0,2,0,0,0,0|2,0,0]=4 2285 B12R1.283 CCSc1ccccc1C(=O)C 1458a_100000195471_200000210301 [0,2,0,0,0,0|2,0,0]=4 2286 B12R1.283 CCSc1ccccc1C(=O)C 62a_100000751169_100000210202 [0,2,0,0,0,0|2,0,0]=4 2287 B12R1.283 CCSc1ccccc1C(=O)[13CH3] 1458a_100000195471_200025704644 [0,2,0,0,0,0|2,0,0]=4 2288 B12R1.283 CCSc1cccnc1C(=O)C 62a_100000210202_100012348690 [0,2,0,0,0,0|1,0,0]=3 2289 B12R1.283 CCSc1cccnc1C(=O)C 62a_100012348690_100000210202 [0,2,0,0,0,0|1,0,0]=3 2290 B12R1.283 CCSc1cccnc1C(=O)N 62a_100000210202_200012359670 [0,2,0,0,0,0|2,0,0]=4 2291 B12R1.283 CCSc1cccnc1C(=O)N 62a_200012359670_100000210202 [0,2,0,0,0,0|2,0,0]=4 2292 B12R1.283 CCSc1ncccc1C(=O)C 62a_100000210202_100000753718 [0,2,0,0,0,0|1,0,0]=3 2293 B12R1.283 CCSc1ncccc1C(=O)C 62a_100000753718_100000210202 [0,2,0,0,0,0|1,0,0]=3 2294 B12R1.283 CCSc1ncccc1C(=O)N 62a_100000162199_100000210202 [0,2,0,0,0,0|2,0,0]=4 2295 B12R1.283 CCSc1ncccc1C(=O)N 62a_100000210202_100000162199 [0,2,0,0,0,0|2,0,0]=4 2296 B12R1.283 CCSc1nccnc1C(=O)C 62a_100000099859_100000210202 [0,2,0,0,0,0|0,0,0]=2 2297 B12R1.283 CCSc1nccnc1C(=O)C 62a_100000210202_100000099859 [0,2,0,0,0,0|0,0,0]=2 2298 B12R1.283 CCSc1nccnc1C(=O)N 62a_100000094861_100000210202 [0,2,0,0,0,0|1,0,0]=3 2299 B12R1.283 CCSc1nccnc1C(=O)N 62a_100000210202_100000094861 [0,2,0,0,0,0|1,0,0]=3 2300 B12R1.283 CCSc1nccnc1N(C)C 62a_100000210202_100000703087 [0,2,0,0,0,0|2,0,0]=4 2301 B12R1.283 CN(C)c1nccnc1SCF 62a_100015361967_100000703087 [0,2,0,0,0,0|2,0,0]=4 2302 B12R1.283 COCc1ccccc1C(=O)C 1458a_100000737999_200000210301 [0,2,0,0,0,0|2,0,0]=4 2303 B12R1.283 COCc1ccccc1C(=O)[13CH3] 1458a_100000737999_200025704644 [0,2,0,0,0,0|2,0,0]=4 2304 B12R1.283 NC(=O)c1cccnc1SCF 62a_100000162199_100015361967 [0,2,0,0,0,0|2,0,0]=4 2305 B12R1.283 NC(=O)c1cccnc1SCF 62a_100015361967_100000162199 [0,2,0,0,0,0|2,0,0]=4 2306 B12R1.283 NC(=O)c1ncccc1OCF 34a_200011215183_100015361967 [0,2,0,0,0,0|2,0,0]=4 2307 B12R1.283 NC(=O)c1ncccc1OCF 7a_200011215183_100015361967 [0,2,0,0,0,0|2,0,0]=4 2308 B12R1.283 NC(=O)c1ncccc1SCF 62a_100015361967_200012359670 [0,2,0,0,0,0|2,0,0]=4 2309 B12R1.283 NC(=O)c1ncccc1SCF 62a_200012359670_100015361967 [0,2,0,0,0,0|2,0,0]=4 2310 B12R1.283 NC(=O)c1nccnc1OCF 34a_100011830332_100015361967 [0,2,0,0,0,0|1,0,0]=3 2311 B12R1.283 NC(=O)c1nccnc1SCF 62a_100000094861_100015361967 [0,2,0,0,0,0|1,0,0]=3 2312 B12R1.283 NC(=O)c1nccnc1SCF 62a_100015361967_100000094861 [0,2,0,0,0,0|1,0,0]=3 2313 B12R1.283 [13CH3]C(=O)c1ccccc1CC#N 1458a_100000010604_200025704644 [0,2,0,0,0,0|2,0,0]=4 2314 B12R1.437 C=C(C)c1c(ccnc1OC)C 271570a_100000694244_100012353928 [0,2,0,0,0,0|2,0,0]=4 2315 B12R1.437 C=C(C)c1c(ccnc1OC)N 271570a_100000694244_100010243811 [0,2,0,0,0,0|2,0,0]=4 2316 B12R1.437 C=Cc1nccc(c1C(=O)C)N 271570a_100011290941_200010729368 [0,2,0,0,0,0|1,0,1]=4 2317 B12R1.437 CC(=O)c1c(cccc1O[13CH3])Br 34a_100010174959_200025704644 [0,2,0,0,0,0|2,0,0]=4 2318 B12R1.437 CC(=O)c1c(cccc1O[13CH3])Br 7a_100010174959_200025704644 [0,2,0,0,0,0|2,0,0]=4 2319 B12R1.437 CC(=O)c1c(cccc1O[13CH3])C 34a_100009860897_200025704644 [0,2,0,0,0,0|2,0,0]=4 2320 B12R1.437 CC(=O)c1c(cccc1O[13CH3])C 7a_100009860897_200025704644 [0,2,0,0,0,0|2,0,0]=4 2321 B12R1.437 CC(=O)c1c(cccc1O[13CH3])Cl 34a_100000730630_200025704644 [0,2,0,0,0,0|2,0,0]=4 2322 B12R1.437 CC(=O)c1c(cccc1O[13CH3])Cl 7a_100000730630_200025704644 [0,2,0,0,0,0|2,0,0]=4 2323 B12R1.437 CC(=O)c1c(cccc1O[13CH3])F 34a_100011216272_200025704644 [0,2,0,0,0,0|2,0,0]=4 2324 B12R1.437 CC(=O)c1c(cccc1O[13CH3])F 7a_100011216272_200025704644 [0,2,0,0,0,0|2,0,0]=4 2325 B12R1.437 CC(=O)c1c(cccc1S[13CH3])F 62a_100012351873_200025704644 [0,2,0,0,0,0|2,0,0]=4 2326 B12R1.437 CC(=O)c1c(ccnc1S[13CH3])N 62a_200010729368_200025704644 [0,2,0,0,0,0|1,0,0]=3 2327 B12R1.437 CC(=O)c1c(ccnc1S[13CH3])N 62a_200025704644_200010729368 [0,2,0,0,0,0|1,0,0]=3 2328 B12R1.437 COc1cccc(c1C(=O)C)Br 1458a_100011593405_200000210301 [0,2,0,0,0,0|2,0,0]=4 2329 B12R1.437 COc1cccc(c1C(=O)C)Br 34a_100010174959_200000210301 [0,2,0,0,0,0|2,0,0]=4 2330 B12R1.437 COc1cccc(c1C(=O)C)Br 7a_100010174959_200000210301 [0,2,0,0,0,0|2,0,0]=4 2331 B12R1.437 COc1cccc(c1C(=O)C)C 1458a_100000066212_200000210301 [0,2,0,0,0,0|2,0,0]=4 2332 B12R1.437 COc1cccc(c1C(=O)C)C 34a_100009860897_200000210301 [0,2,0,0,0,0|2,0,0]=4 2333 B12R1.437 COc1cccc(c1C(=O)C)C 7a_100009860897_200000210301 [0,2,0,0,0,0|2,0,0]=4 2334 B12R1.437 COc1cccc(c1C(=O)C)Cl 1458a_100000743539_200000210301 [0,2,0,0,0,0|2,0,0]=4 2335 B12R1.437 COc1cccc(c1C(=O)C)Cl 34a_100000730630_200000210301 [0,2,0,0,0,0|2,0,0]=4 2336 B12R1.437 COc1cccc(c1C(=O)C)Cl 7a_100000730630_200000210301 [0,2,0,0,0,0|2,0,0]=4 2337 B12R1.437 COc1cccc(c1C(=O)C)F 1458a_100000759380_200000210301 [0,2,0,0,0,0|2,0,0]=4 2338 B12R1.437 COc1cccc(c1C(=O)C)F 34a_100011216272_200000210301 [0,2,0,0,0,0|2,0,0]=4 2339 B12R1.437 COc1cccc(c1C(=O)C)F 7a_100011216272_200000210301 [0,2,0,0,0,0|2,0,0]=4 2340 B12R1.437 COc1cccc(c1C(=O)C)I 1458a_100010179659_200000210301 [0,2,0,0,0,0|2,0,0]=4 2341 B12R1.437 COc1cccc(c1C(=O)C)O 1458a_100000043310_200000210301 [0,2,0,0,0,0|2,0,0]=4 2342 B12R1.437 COc1cccc(c1C(=O)C)O 271570a_203496583355_100010725609 [0,2,0,0,0,0|2,0,0]=4 2343 B12R1.437 COc1cccc(c1C(=O)[13CH3])Br 1458a_100011593405_200025704644 [0,2,0,0,0,0|2,0,0]=4 2344 B12R1.437 COc1cccc(c1C(=O)[13CH3])C 1458a_100000066212_200025704644 [0,2,0,0,0,0|2,0,0]=4 2345 B12R1.437 COc1cccc(c1C(=O)[13CH3])Cl 1458a_100000743539_200025704644 [0,2,0,0,0,0|2,0,0]=4 2346 B12R1.437 COc1cccc(c1C(=O)[13CH3])F 1458a_100000759380_200025704644 [0,2,0,0,0,0|2,0,0]=4 2347 B12R1.437 COc1cccc(c1C(=O)[13CH3])I 1458a_100010179659_200025704644 [0,2,0,0,0,0|2,0,0]=4 2348 B12R1.437 COc1cccc(c1C(=O)[13CH3])O 1458a_100000043310_200025704644 [0,2,0,0,0,0|2,0,0]=4 2349 B12R1.437 CSc1cccc(c1C(=O)C)F 62a_100012351873_200000210301 [0,2,0,0,0,0|2,0,0]=4 2350 B12R1.437 CSc1nccc(c1C(=O)C)N 62a_200000210301_200010729368 [0,2,0,0,0,0|1,0,0]=3 2351 B12R1.437 CSc1nccc(c1C(=O)C)N 62a_200010729368_200000210301 [0,2,0,0,0,0|1,0,0]=3 2352 B12R1.894 C=C(C)c1c(ncc(c1C)N)C 271570a_100000694244_100012352430 [0,2,0,0,0,0|2,0,0]=4 2353 B12R1.894 CC(=O)c1c(ccc(c1C)Br)C 1458a_100012355652_200000210301 [0,2,0,0,0,0|2,0,0]=4 2354 B12R1.894 CC(=O)c1c(ccc(c1C)Br)F 1458a_100010768519_200000210301 [0,2,0,0,0,0|2,0,0]=4 2355 B12R1.894 CC(=O)c1c(ccc(c1C)F)Br 1458a_100010768524_200000210301 [0,2,0,0,0,0|2,0,0]=4 2356 B12R1.894 CC(=O)c1c(ccc(c1O)C)C 1458a_100011255215_200000210301 [0,2,0,0,0,0|2,0,0]=4 2357 B12R1.894 Cc1c(ccc(c1C(=O)[13CH3])Br)F 1458a_100010768524_200025704644 [0,2,0,0,0,0|2,0,0]=4 2358 B12R1.894 Cc1c(ccc(c1C(=O)[13CH3])F)Br 1458a_100010768519_200025704644 [0,2,0,0,0,0|2,0,0]=4 2359 B12R1.894 Cc1ccc(c(c1C(=O)[13CH3])C)Br 1458a_100012355652_200025704644 [0,2,0,0,0,0|2,0,0]=4 2360 B12R1.894 Cc1ccc(c(c1O)C(=O)[13CH3])C 1458a_100011255215_200025704644 [0,2,0,0,0,0|2,0,0]=4 2361 B12R1.1000 C=C(C)c1c(cc(nc1C)C)N 271570a_100000694244_100010261885 [0,2,0,0,0,0|2,0,0]=4 2362 B12R1.1000 C=C(C)c1c(cc(nc1C)N)C 271570a_100000694244_100000699364 [0,2,0,0,0,0|2,0,0]=4 2363 B12R1.1000 CC(=O)c1c(cc(cc1Br)F)C 1458a_100010204434_200000210301 [0,2,0,0,0,0|2,0,0]=4 2364 B12R1.1000 CC(=O)c1c(cc(cc1C)Br)C 1458a_100000739581_200000210301 [0,2,0,0,0,0|2,0,0]=4 2365 B12R1.1000 CC(=O)c1c(cc(cc1C)C)C 1458a_100000211658_200000210301 [0,2,0,0,0,0|2,0,0]=4 2366 B12R1.1000 CC(=O)c1c(cc(cc1C)Cl)C 1458a_100000088873_200000210301 [0,2,0,0,0,0|2,0,0]=4 2367 B12R1.1000 CC(=O)c1c(cc(cc1C)F)C 1458a_100012017201_200000210301 [0,2,0,0,0,0|2,0,0]=4 2368 B12R1.1000 CC(=O)c1c(cc(cc1C)O)C 1458a_100000066486_200000210301 [0,2,0,0,0,0|2,0,0]=4 2369 B12R1.1000 CC(=O)c1c(cc(cc1Cl)Br)C 1458a_100000698028_200000210301 [0,2,0,0,0,0|2,0,0]=4 2370 B12R1.1000 CC(=O)c1c(cc(cc1F)Br)C 1458a_100000708665_200000210301 [0,2,0,0,0,0|2,0,0]=4 2371 B12R1.1000 CC(=O)c1c(cc(cc1F)Cl)C 1458a_100010768517_200000210301 [0,2,0,0,0,0|2,0,0]=4 2372 B12R1.1000 CC(=O)c1c(cc(cc1I)F)C 1458a_200010371433_200000210301 [0,2,0,0,0,0|2,0,0]=4 2373 B12R1.1000 CC(=O)c1c(cc(cc1O)C)C 1458a_100011255216_200000210301 [0,2,0,0,0,0|2,0,0]=4 2374 B12R1.1000 CC(=O)c1c(cc(cc1O)O)C 1458a_200000061528_200000210301 [0,2,0,0,0,0|2,0,0]=4 2375 B12R1.1000 Cc1cc(c(c(c1)C)C(=O)[13CH3])C 1458a_100000211658_200025704644 [0,2,0,0,0,0|2,0,0]=4 2376 B12R1.1000 Cc1cc(c(c(c1)O)C(=O)[13CH3])C 1458a_100011255216_200025704644 [0,2,0,0,0,0|2,0,0]=4 2377 B12R1.1000 Cc1cc(cc(c1C(=O)[13CH3])Br)F 1458a_100010204434_200025704644 [0,2,0,0,0,0|2,0,0]=4 2378 B12R1.1000 Cc1cc(cc(c1C(=O)[13CH3])C)Br 1458a_100000739581_200025704644 [0,2,0,0,0,0|2,0,0]=4 2379 B12R1.1000 Cc1cc(cc(c1C(=O)[13CH3])C)Cl 1458a_100000088873_200025704644 [0,2,0,0,0,0|2,0,0]=4 2380 B12R1.1000 Cc1cc(cc(c1C(=O)[13CH3])C)F 1458a_100012017201_200025704644 [0,2,0,0,0,0|2,0,0]=4 2381 B12R1.1000 Cc1cc(cc(c1C(=O)[13CH3])C)O 1458a_100000066486_200025704644 [0,2,0,0,0,0|2,0,0]=4 2382 B12R1.1000 Cc1cc(cc(c1C(=O)[13CH3])Cl)Br 1458a_100000698028_200025704644 [0,2,0,0,0,0|2,0,0]=4 2383 B12R1.1000 Cc1cc(cc(c1C(=O)[13CH3])F)Br 1458a_100000708665_200025704644 [0,2,0,0,0,0|2,0,0]=4 2384 B12R1.1000 Cc1cc(cc(c1C(=O)[13CH3])F)Cl 1458a_100010768517_200025704644 [0,2,0,0,0,0|2,0,0]=4 2385 B12R1.1000 Cc1cc(cc(c1C(=O)[13CH3])I)F 1458a_200010371433_200025704644 [0,2,0,0,0,0|2,0,0]=4 2386 B12R1.1000 Cc1cc(cc(c1C(=O)[13CH3])O)O 1458a_200000061528_200025704644 [0,2,0,0,0,0|2,0,0]=4 2387 B12R1.3441 CCC(=O)c1c(cccc1Br)C 1458a_100000701904_100000210202 [0,2,0,0,0,0|2,0,0]=4 2388 B12R1.3441 CCC(=O)c1c(cccc1C)C 1458a_100000758298_100000210202 [0,2,0,0,0,0|2,0,0]=4 2389 B12R1.3441 CCC(=O)c1c(cccc1Cl)C 1458a_100000692601_100000210202 [0,2,0,0,0,0|2,0,0]=4 2390 B12R1.3441 CCC(=O)c1c(cccc1F)C 1458a_100000762013_100000210202 [0,2,0,0,0,0|2,0,0]=4 2391 B12R1.3441 CCC(=O)c1c(cccc1I)C 1458a_100000688020_100000210202 [0,2,0,0,0,0|2,0,0]=4 2392 B12R1.3441 CCC(=O)c1c(cccc1O)C 1458a_100011934116_100000210202 [0,2,0,0,0,0|2,0,0]=4 2393 B12R1.3441 CNC(=O)c1c(cccc1Br)C 11a_106832991635_100000701904 [0,2,0,0,0,0|2,0,0]=4 2394 B12R1.3441 CNC(=O)c1c(cccc1Br)C 1626a_100102657272_100000701904 [0,2,0,0,0,0|2,0,0]=4 2395 B12R1.3441 CNC(=O)c1c(cccc1Br)C 240690a_100102657272_100000701904 [0,2,0,0,0,0|2,0,0]=4 2396 B12R1.3441 CNC(=O)c1c(cccc1Br)C 527a_100102657272_100000701904 [0,2,0,0,0,0|2,0,0]=4 2397 B12R1.3441 CNC(=O)c1c(cccc1C)C 11a_106832991635_100000758298 [0,2,0,0,0,0|2,0,0]=4 2398 B12R1.3441 CNC(=O)c1c(cccc1C)C 1626a_100102657272_100000758298 [0,2,0,0,0,0|2,0,0]=4 2399 B12R1.3441 CNC(=O)c1c(cccc1C)C 240690a_100102657272_100000758298 [0,2,0,0,0,0|2,0,0]=4 2400 B12R1.3441 CNC(=O)c1c(cccc1Cl)C 11a_106832991635_100000692601 [0,2,0,0,0,0|2,0,0]=4 2401 B12R1.3441 CNC(=O)c1c(cccc1Cl)C 1626a_100102657272_100000692601 [0,2,0,0,0,0|2,0,0]=4 2402 B12R1.3441 CNC(=O)c1c(cccc1Cl)C 240690a_100102657272_100000692601 [0,2,0,0,0,0|2,0,0]=4 2403 B12R1.3441 CNC(=O)c1c(cccc1F)C 11a_106832991635_100000762013 [0,2,0,0,0,0|2,0,0]=4 2404 B12R1.3441 CNC(=O)c1c(cccc1F)C 1626a_100102657272_100000762013 [0,2,0,0,0,0|2,0,0]=4 2405 B12R1.3441 CNC(=O)c1c(cccc1F)C 240690a_100102657272_100000762013 [0,2,0,0,0,0|2,0,0]=4 2406 B12R1.3441 CNC(=O)c1c(cccc1F)C 527a_100102657272_100000762013 [0,2,0,0,0,0|2,0,0]=4 2407 B12R1.3441 CNC(=O)c1c(cccc1I)C 11a_106832991635_100000688020 [0,2,0,0,0,0|2,0,0]=4 2408 B12R1.3441 CNC(=O)c1c(cccc1I)C 1626a_100102657272_100000688020 [0,2,0,0,0,0|2,0,0]=4 2409 B12R1.3441 CNC(=O)c1c(cccc1I)C 240690a_100102657272_100000688020 [0,2,0,0,0,0|2,0,0]=4 2410 B12R1.3441 COC(=O)c1c(cccc1O)C 271570a_203496583355_100010204206 [0,2,0,0,0,0|2,0,0]=4 2411 B12R1.3441 COC(=O)c1c(ccnc1Cl)O 271570a_203496583355_100010138530 [0,2,0,0,0,0|2,0,0]=4 2412 B12R1.3441 COC(=O)c1c(ccnc1F)O 271570a_203496583355_100010150474 [0,2,0,0,0,0|2,0,0]=4 2413 B12R1.3441 COC(=O)c1c(ccnc1O)F 271570a_203496583355_100015560809 [0,2,0,0,0,0|2,0,0]=4 2414 B12R1.3441 COC(=O)c1c(ccnc1O)N 271570a_203496583355_100009985557 [0,2,0,0,0,0|2,0,0]=4 2415 B12R1.3441 Cc1cccc(c1C(=O)CF)Br 1458a_100000701904_100015361967 [0,2,0,0,0,0|2,0,0]=4 2416 B12R1.3441 Cc1cccc(c1C(=O)CF)C 1458a_100000758298_100015361967 [0,2,0,0,0,0|2,0,0]=4 2417 B12R1.3441 Cc1cccc(c1C(=O)CF)Cl 1458a_100000692601_100015361967 [0,2,0,0,0,0|2,0,0]=4 2418 B12R1.3441 Cc1cccc(c1C(=O)CF)F 1458a_100000762013_100015361967 [0,2,0,0,0,0|2,0,0]=4 2419 B12R1.3441 Cc1cccc(c1C(=O)CF)I 1458a_100000688020_100015361967 [0,2,0,0,0,0|2,0,0]=4 2420 B12R1.3441 Cc1cccc(c1C(=O)CF)O 1458a_100011934116_100015361967 [0,2,0,0,0,0|2,0,0]=4 2421 B12R1.24 CCC(=O)c1cccc(c1C)Br 1458a_100000760464_100000210202 [0,2,0,0,0,0|2,0,0]=4 2422 B12R1.24 CCC(=O)c1cccc(c1C)C 1458a_100000183679_100000210202 [0,2,0,0,0,0|2,0,0]=4 2423 B12R1.24 CCC(=O)c1cccc(c1C)Cl 1458a_100000690184_100000210202 [0,2,0,0,0,0|2,0,0]=4 2424 B12R1.24 CCC(=O)c1cccc(c1C)F 1458a_100011218272_100000210202 [0,2,0,0,0,0|2,0,0]=4 2425 B12R1.24 CCC(=O)c1cccc(c1C)I 1458a_100000751865_100000210202 [0,2,0,0,0,0|2,0,0]=4 2426 B12R1.24 CCC(=O)c1cccc(c1C)O 1458a_100000766327_100000210202 [0,2,0,0,0,0|2,0,0]=4 2427 B12R1.24 CNC(=O)c1cccc(c1C)Br 11a_106832991635_100000760464 [0,2,0,0,0,0|2,0,0]=4 2428 B12R1.24 CNC(=O)c1cccc(c1C)Br 1626a_100102657272_100000760464 [0,2,0,0,0,0|2,0,0]=4 2429 B12R1.24 CNC(=O)c1cccc(c1C)Br 240690a_100102657272_100000760464 [0,2,0,0,0,0|2,0,0]=4 2430 B12R1.24 CNC(=O)c1cccc(c1C)Br 527a_100102657272_100000760464 [0,2,0,0,0,0|2,0,0]=4 2431 B12R1.24 CNC(=O)c1cccc(c1C)C 11a_106832991635_100000183679 [0,2,0,0,0,0|2,0,0]=4 2432 B12R1.24 CNC(=O)c1cccc(c1C)C 1626a_100102657272_100000183679 [0,2,0,0,0,0|2,0,0]=4 2433 B12R1.24 CNC(=O)c1cccc(c1C)C 240690a_100102657272_100000183679 [0,2,0,0,0,0|2,0,0]=4 2434 B12R1.24 CNC(=O)c1cccc(c1C)C 527a_100102657272_100000183679 [0,2,0,0,0,0|2,0,0]=4 2435 B12R1.24 CNC(=O)c1cccc(c1C)Cl 11a_106832991635_100000690184 [0,2,0,0,0,0|2,0,0]=4 2436 B12R1.24 CNC(=O)c1cccc(c1C)Cl 1626a_100102657272_100000690184 [0,2,0,0,0,0|2,0,0]=4 2437 B12R1.24 CNC(=O)c1cccc(c1C)Cl 240690a_100102657272_100000690184 [0,2,0,0,0,0|2,0,0]=4 2438 B12R1.24 CNC(=O)c1cccc(c1C)Cl 527a_100102657272_100000690184 [0,2,0,0,0,0|2,0,0]=4 2439 B12R1.24 CNC(=O)c1cccc(c1C)F 11a_106832991635_100011218272 [0,2,0,0,0,0|2,0,0]=4 2440 B12R1.24 CNC(=O)c1cccc(c1C)F 1626a_100102657272_100011218272 [0,2,0,0,0,0|2,0,0]=4 2441 B12R1.24 CNC(=O)c1cccc(c1C)F 240690a_100102657272_100011218272 [0,2,0,0,0,0|2,0,0]=4 2442 B12R1.24 CNC(=O)c1cccc(c1C)F 527a_100102657272_100011218272 [0,2,0,0,0,0|2,0,0]=4 2443 B12R1.24 CNC(=O)c1cccc(c1C)I 11a_106832991635_100000751865 [0,2,0,0,0,0|2,0,0]=4 2444 B12R1.24 CNC(=O)c1cccc(c1C)I 1626a_100102657272_100000751865 [0,2,0,0,0,0|2,0,0]=4 2445 B12R1.24 CNC(=O)c1cccc(c1C)I 240690a_100102657272_100000751865 [0,2,0,0,0,0|2,0,0]=4 2446 B12R1.24 CNC(=O)c1cccc(c1C)I 527a_100102657272_100000751865 [0,2,0,0,0,0|2,0,0]=4 2447 B12R1.24 CNC(=O)c1cccc(c1C)O 240690a_100102657272_100000766327 [0,2,0,0,0,0|2,0,0]=4 2448 B12R1.24 CNC(=O)c1cccc(c1C)O 527a_100102657272_100000766327 [0,2,0,0,0,0|2,0,0]=4 2449 B12R1.24 COC(=O)c1cccc(c1C)O 271570a_203496583355_100012298220 [0,2,0,0,0,0|2,0,0]=4 2450 B12R1.24 COC(=O)c1nccc(c1C)O 271570a_203496583355_100000094583 [0,2,0,0,0,0|1,0,0]=3 2451 B12R1.24 COC(=O)c1nccc(c1F)O 271570a_203496583355_100000687924 [0,2,0,0,0,0|2,0,0]=4 2452 B12R1.24 Cc1c(cccc1C(=O)CF)Br 1458a_100000760464_100015361967 [0,2,0,0,0,0|2,0,0]=4 2453 B12R1.24 Cc1c(cccc1C(=O)CF)Cl 1458a_100000690184_100015361967 [0,2,0,0,0,0|2,0,0]=4 2454 B12R1.24 Cc1c(cccc1C(=O)CF)F 1458a_100011218272_100015361967 [0,2,0,0,0,0|2,0,0]=4 2455 B12R1.24 Cc1c(cccc1C(=O)CF)I 1458a_100000751865_100015361967 [0,2,0,0,0,0|2,0,0]=4 2456 B12R1.24 Cc1c(cccc1C(=O)CF)O 1458a_100000766327_100015361967 [0,2,0,0,0,0|2,0,0]=4 2457 B12R1.24 Cc1cccc(c1C)C(=O)CF 1458a_100000183679_100015361967 [0,2,0,0,0,0|2,0,0]=4 2458 B12R1.440 C=C(C)c1nccc(c1C)C#N 271570a_100000694244_100009841936 [0,2,0,0,0,0|2,0,0]=4 2459 B12R1.440 C=C(C)c1nccc(c1C)C=O 271570a_100000694244_100000096011 [0,2,0,0,0,0|2,0,0]=4 2460 B12R1.440 C=C(C)c1nccc(c1C)OC 271570a_100000694244_100010067686 [0,2,0,0,0,0|2,0,0]=4 2461 B12R1.440 C=Cc1cccc(c1C)C(=O)C 271570a_100011290941_100012706834 [0,2,0,0,0,0|2,0,0]=4 2462 B12R1.440 C=Cc1ccnc(c1F)C(=O)C 271570a_100011290941_100010729024 [0,2,0,0,0,0|2,0,0]=4 2463 B12R1.440 CC(=O)c1cccc(c1C)O[13CH3] 34a_200009877264_200025704644 [0,2,0,0,0,0|2,0,0]=4 2464 B12R1.440 CC(=O)c1cccc(c1C)O[13CH3] 7a_200009877264_200025704644 [0,2,0,0,0,0|2,0,0]=4 2465 B12R1.440 CC(=O)c1cccc(c1C)S[13CH3] 62a_100012706834_200025704644 [0,2,0,0,0,0|2,0,0]=4 2466 B12R1.440 CC(=O)c1cccc(c1C)S[13CH3] 62a_200025704644_100012706834 [0,2,0,0,0,0|2,0,0]=4 2467 B12R1.440 CC(=O)c1nccc(c1F)S[13CH3] 62a_100010729024_200025704644 [0,2,0,0,0,0|2,0,0]=4 2468 B12R1.440 CC(=O)c1nccc(c1F)S[13CH3] 62a_200025704644_100010729024 [0,2,0,0,0,0|2,0,0]=4 2469 B12R1.440 COc1cccc(c1C)C(=O)C 1458a_100011217801_200000210301 [0,2,0,0,0,0|2,0,0]=4 2470 B12R1.440 COc1cccc(c1C)C(=O)C 34a_200009877264_200000210301 [0,2,0,0,0,0|2,0,0]=4 2471 B12R1.440 COc1cccc(c1C)C(=O)C 7a_200009877264_200000210301 [0,2,0,0,0,0|2,0,0]=4 2472 B12R1.440 COc1cccc(c1C)C(=O)[13CH3] 1458a_100011217801_200025704644 [0,2,0,0,0,0|2,0,0]=4 2473 B12R1.440 CSc1cccc(c1C)C(=O)C 62a_100012706834_200000210301 [0,2,0,0,0,0|2,0,0]=4 2474 B12R1.440 CSc1cccc(c1C)C(=O)C 62a_200000210301_100012706834 [0,2,0,0,0,0|2,0,0]=4 2475 B12R1.440 CSc1ccnc(c1F)C(=O)C 62a_100010729024_200000210301 [0,2,0,0,0,0|2,0,0]=4 2476 B12R1.440 CSc1ccnc(c1F)C(=O)C 62a_200000210301_100010729024 [0,2,0,0,0,0|2,0,0]=4 2477 B12R1.511 CC(=O)c1cc(cc(c1C)Br)Br 1458a_100012356187_200000210301 [0,2,0,0,0,0|2,0,0]=4 2478 B12R1.511 CC(=O)c1cc(cc(c1C)Br)F 1458a_100012347597_200000210301 [0,2,0,0,0,0|2,0,0]=4 2479 B12R1.511 CC(=O)c1cc(cc(c1C)C)Br 1458a_100012920495_200000210301 [0,2,0,0,0,0|2,0,0]=4 2480 B12R1.511 CC(=O)c1cc(cc(c1C)Cl)Br 1458a_100012921640_200000210301 [0,2,0,0,0,0|2,0,0]=4 2481 B12R1.511 CC(=O)c1cc(cc(c1C)Cl)F 1458a_100012177191_200000210301 [0,2,0,0,0,0|2,0,0]=4 2482 B12R1.511 CC(=O)c1cc(cc(c1C)F)Br 1458a_100010768523_200000210301 [0,2,0,0,0,0|2,0,0]=4 2483 B12R1.511 CC(=O)c1cc(cc(c1C)O)Br 1458a_100011101721_200000210301 [0,2,0,0,0,0|2,0,0]=4 2484 B12R1.511 Cc1c(cc(cc1C(=O)[13CH3])Br)Br 1458a_100012356187_200025704644 [0,2,0,0,0,0|2,0,0]=4 2485 B12R1.511 Cc1c(cc(cc1C(=O)[13CH3])Br)Cl 1458a_100012921640_200025704644 [0,2,0,0,0,0|2,0,0]=4 2486 B12R1.511 Cc1c(cc(cc1C(=O)[13CH3])Br)F 1458a_100010768523_200025704644 [0,2,0,0,0,0|2,0,0]=4 2487 B12R1.511 Cc1c(cc(cc1C(=O)[13CH3])Br)O 1458a_100011101721_200025704644 [0,2,0,0,0,0|2,0,0]=4 2488 B12R1.511 Cc1c(cc(cc1C(=O)[13CH3])F)Br 1458a_100012347597_200025704644 [0,2,0,0,0,0|2,0,0]=4 2489 B12R1.511 Cc1c(cc(cc1C(=O)[13CH3])F)Cl 1458a_100012177191_200025704644 [0,2,0,0,0,0|2,0,0]=4 2490 B12R1.511 Cc1cc(cc(c1C)C(=O)[13CH3])Br 1458a_100012920495_200025704644 [0,2,0,0,0,0|2,0,0]=4 2491 B12R1.893 CC(=O)c1ccc(c(c1C)F)F 1458a_100000061971_200000210301 [0,2,0,0,0,0|2,0,0]=4 2492 B12R1.893 Cc1c(ccc(c1F)F)C(=O)[13CH3] 1458a_100000061971_200025704644 [0,2,0,0,0,0|2,0,0]=4 2493 B12R1.232 C=C(C)c1cc(c(nc1C)N)N 271570a_100000694244_100000688597 [0,2,0,0,0,0|2,0,0]=4 2494 B12R1.232 C=C(C)c1nc(c(nc1N)C)C 271570a_100000694244_100012282008 [0,2,0,0,0,0|2,0,0]=4 2495 B12R1.232 C=C(C)c1nc(c(nc1O)C)C 271570a_100000694244_100000717854 [0,2,0,0,0,0|2,0,0]=4 2496 B12R1.232 CC(=O)c1cc(c(cc1C)Br)C 1458a_100000695896_200000210301 [0,2,0,0,0,0|2,0,0]=4 2497 B12R1.232 CC(=O)c1cc(c(cc1C)Br)F 1458a_100012344525_200000210301 [0,2,0,0,0,0|2,0,0]=4 2498 B12R1.232 CC(=O)c1cc(c(cc1C)C)Br 1458a_100012920494_200000210301 [0,2,0,0,0,0|2,0,0]=4 2499 B12R1.232 CC(=O)c1cc(c(cc1C)C)C 1458a_100011216168_200000210301 [0,2,0,0,0,0|2,0,0]=4 2500 B12R1.232 CC(=O)c1cc(c(cc1C)C)I 1458a_100000723791_200000210301 [0,2,0,0,0,0|2,0,0]=4 2501 B12R1.232 CC(=O)c1cc(c(cc1C)Cl)Cl 1458a_100010439669_200000210301 [0,2,0,0,0,0|2,0,0]=4 2502 B12R1.232 CC(=O)c1cc(c(cc1C)Cl)F 1458a_200010768543_200000210301 [0,2,0,0,0,0|2,0,0]=4 2503 B12R1.232 CC(=O)c1cc(c(cc1C)F)Br 1458a_100000724332_200000210301 [0,2,0,0,0,0|2,0,0]=4 2504 B12R1.232 CC(=O)c1cc(c(cc1C)F)F 1458a_100000062099_200000210301 [0,2,0,0,0,0|2,0,0]=4 2505 B12R1.232 CC(=O)c1cc(c(cc1C)F)I 1458a_100013328184_200000210301 [0,2,0,0,0,0|2,0,0]=4 2506 B12R1.232 Cc1cc(c(cc1Br)C(=O)[13CH3])C 1458a_100012920494_200025704644 [0,2,0,0,0,0|2,0,0]=4 2507 B12R1.232 Cc1cc(c(cc1Br)C)C(=O)[13CH3] 1458a_100000695896_200025704644 [0,2,0,0,0,0|2,0,0]=4 2508 B12R1.232 Cc1cc(c(cc1C(=O)[13CH3])Br)F 1458a_100000724332_200025704644 [0,2,0,0,0,0|2,0,0]=4 2509 B12R1.232 Cc1cc(c(cc1C(=O)[13CH3])Cl)Cl 1458a_100010439669_200025704644 [0,2,0,0,0,0|2,0,0]=4 2510 B12R1.232 Cc1cc(c(cc1C(=O)[13CH3])F)Br 1458a_100012344525_200025704644 [0,2,0,0,0,0|2,0,0]=4 2511 B12R1.232 Cc1cc(c(cc1C(=O)[13CH3])F)Cl 1458a_200010768543_200025704644 [0,2,0,0,0,0|2,0,0]=4 2512 B12R1.232 Cc1cc(c(cc1C(=O)[13CH3])F)F 1458a_100000062099_200025704644 [0,2,0,0,0,0|2,0,0]=4 2513 B12R1.232 Cc1cc(c(cc1C(=O)[13CH3])I)F 1458a_100013328184_200025704644 [0,2,0,0,0,0|2,0,0]=4 2514 B12R1.232 Cc1cc(c(cc1C)C(=O)[13CH3])C 1458a_100011216168_200025704644 [0,2,0,0,0,0|2,0,0]=4 2515 B12R1.232 Cc1cc(c(cc1I)C(=O)[13CH3])C 1458a_100000723791_200025704644 [0,2,0,0,0,0|2,0,0]=4 2516 B12R1.452 C=C(C)c1ccc(nc1C)C#N 271570a_100000694244_100009884075 [0,2,0,0,0,0|2,0,0]=4 2517 B12R1.452 C=C(C)c1ccc(nc1C)C=O 271570a_100000694244_100010238520 [0,2,0,0,0,0|2,0,0]=4 2518 B12R1.452 C=C(C)c1ccc(nc1C)CO 271570a_100000694244_100010114280 [0,2,0,0,0,0|2,0,0]=4 2519 B12R1.452 C=C(C)c1ccc(nc1C)OC 271570a_100000694244_100000766551 [0,2,0,0,0,0|2,0,0]=4 2520 B12R1.452 C=C(C)c1ncc(cc1C)C#N 271570a_100000694244_100000719225 [0,2,0,0,0,0|2,0,0]=4 2521 B12R1.452 C=C(C)c1ncc(cc1C)C=O 271570a_100000694244_100000070293 [0,2,0,0,0,0|2,0,0]=4 2522 B12R1.452 C=C(C)c1ncc(cc1C)CO 271570a_100000694244_200000092119 [0,2,0,0,0,0|2,0,0]=4 2523 B12R1.452 C=C(C)c1ncc(cc1C)OC 271570a_100000694244_200009851512 [0,2,0,0,0,0|2,0,0]=4 2524 B12R1.452 C=C(C)c1ncc(cc1C)SC 271570a_100000694244_203440288091 [0,2,0,0,0,0|2,0,0]=4 2525 B12R1.452 C=C(C)c1ncc(nc1C)OC 271570a_100000694244_200010730098 [0,2,0,0,0,0|1,0,0]=3 2526 B12R1.452 C=C(C)c1ncc(nc1N)OC 271570a_100000694244_100009955223 [0,2,0,0,0,0|2,0,0]=4 2527 B12R1.452 C=Cc1ccc(c(c1)C)C(=O)C 271570a_100011290941_100012360112 [0,2,0,0,0,0|2,0,0]=4 2528 B12R1.452 C=Cc1cnc(c(c1)F)C(=O)C 271570a_100011290941_100000696590 [0,2,0,0,0,0|2,0,0]=4 2529 B12R1.452 CC(=O)c1ccc(cc1C)C#N 1458a_100000691869_200000210301 [0,2,0,0,0,0|2,0,0]=4 2530 B12R1.452 CC(=O)c1ccc(cc1C)O[13CH3] 34a_100000702595_200025704644 [0,2,0,0,0,0|2,0,0]=4 2531 B12R1.452 CC(=O)c1ccc(cc1C)O[13CH3] 7a_100000702595_200025704644 [0,2,0,0,0,0|2,0,0]=4 2532 B12R1.452 CC(=O)c1ccc(cc1C)S[13CH3] 62a_100012360112_200025704644 [0,2,0,0,0,0|2,0,0]=4 2533 B12R1.452 CC(=O)c1ccc(cc1C)S[13CH3] 62a_200025704644_100012360112 [0,2,0,0,0,0|2,0,0]=4 2534 B12R1.452 CC(=O)c1ncc(cc1F)S[13CH3] 62a_100000696590_200025704644 [0,2,0,0,0,0|2,0,0]=4 2535 B12R1.452 CC(=O)c1ncc(cc1F)S[13CH3] 62a_200025704644_100000696590 [0,2,0,0,0,0|2,0,0]=4 2536 B12R1.452 COc1ccc(c(c1)C)C(=O)C 1458a_100000763155_200000210301 [0,2,0,0,0,0|2,0,0]=4 2537 B12R1.452 COc1ccc(c(c1)C)C(=O)C 34a_100000702595_200000210301 [0,2,0,0,0,0|2,0,0]=4 2538 B12R1.452 COc1ccc(c(c1)C)C(=O)C 7a_100000702595_200000210301 [0,2,0,0,0,0|2,0,0]=4 2539 B12R1.452 COc1ccc(c(c1)C)C(=O)[13CH3] 1458a_100000763155_200025704644 [0,2,0,0,0,0|2,0,0]=4 2540 B12R1.452 CSc1ccc(c(c1)C)C(=O)C 1458a_100012278374_200000210301 [0,2,0,0,0,0|2,0,0]=4 2541 B12R1.452 CSc1ccc(c(c1)C)C(=O)C 62a_100012360112_200000210301 [0,2,0,0,0,0|2,0,0]=4 2542 B12R1.452 CSc1ccc(c(c1)C)C(=O)C 62a_200000210301_100012360112 [0,2,0,0,0,0|2,0,0]=4 2543 B12R1.452 CSc1ccc(c(c1)C)C(=O)[13CH3] 1458a_100012278374_200025704644 [0,2,0,0,0,0|2,0,0]=4 2544 B12R1.452 CSc1cnc(c(c1)F)C(=O)C 62a_100000696590_200000210301 [0,2,0,0,0,0|2,0,0]=4 2545 B12R1.452 CSc1cnc(c(c1)F)C(=O)C 62a_200000210301_100000696590 [0,2,0,0,0,0|2,0,0]=4 2546 B12R1.452 Cc1cc(ccc1C(=O)[13CH3])C#N 1458a_100000691869_200025704644 [0,2,0,0,0,0|2,0,0]=4 2547 B12R1.1703 CCC(=O)c1ccc(cc1C)Br 1458a_100000741311_100000210202 [0,2,0,0,0,0|2,0,0]=4 2548 B12R1.1703 CCC(=O)c1ccc(cc1C)C 1458a_100000211164_100000210202 [0,2,0,0,0,0|2,0,0]=4 2549 B12R1.1703 CCC(=O)c1ccc(cc1C)Cl 1458a_100000688705_100000210202 [0,2,0,0,0,0|2,0,0]=4 2550 B12R1.1703 CCC(=O)c1ccc(cc1C)F 1458a_100000686989_100000210202 [0,2,0,0,0,0|2,0,0]=4 2551 B12R1.1703 CCC(=O)c1ccc(cc1C)I 1458a_100010189873_100000210202 [0,2,0,0,0,0|2,0,0]=4 2552 B12R1.1703 CCC(=O)c1ccc(cc1C)O 1458a_100000692822_100000210202 [0,2,0,0,0,0|2,0,0]=4 2553 B12R1.1703 CCC(=O)c1ccc(cc1C)O 271570a_203496583355_200012361375 [0,2,0,0,0,0|2,0,0]=4 2554 B12R1.1703 CNC(=O)c1ccc(cc1C)Br 11a_106832991635_100000741311 [0,2,0,0,0,0|2,0,0]=4 2555 B12R1.1703 CNC(=O)c1ccc(cc1C)Br 1626a_100102657272_100000741311 [0,2,0,0,0,0|2,0,0]=4 2556 B12R1.1703 CNC(=O)c1ccc(cc1C)Br 240690a_100102657272_100000741311 [0,2,0,0,0,0|2,0,0]=4 2557 B12R1.1703 CNC(=O)c1ccc(cc1C)Br 527a_100102657272_100000741311 [0,2,0,0,0,0|2,0,0]=4 2558 B12R1.1703 CNC(=O)c1ccc(cc1C)C 11a_106832991635_100000211164 [0,2,0,0,0,0|2,0,0]=4 2559 B12R1.1703 CNC(=O)c1ccc(cc1C)C 1626a_100102657272_100000211164 [0,2,0,0,0,0|2,0,0]=4 2560 B12R1.1703 CNC(=O)c1ccc(cc1C)C 240690a_100102657272_100000211164 [0,2,0,0,0,0|2,0,0]=4 2561 B12R1.1703 CNC(=O)c1ccc(cc1C)C 527a_100102657272_100000211164 [0,2,0,0,0,0|2,0,0]=4 2562 B12R1.1703 CNC(=O)c1ccc(cc1C)Cl 11a_106832991635_100000688705 [0,2,0,0,0,0|2,0,0]=4 2563 B12R1.1703 CNC(=O)c1ccc(cc1C)Cl 1626a_100102657272_100000688705 [0,2,0,0,0,0|2,0,0]=4 2564 B12R1.1703 CNC(=O)c1ccc(cc1C)Cl 240690a_100102657272_100000688705 [0,2,0,0,0,0|2,0,0]=4 2565 B12R1.1703 CNC(=O)c1ccc(cc1C)Cl 527a_100102657272_100000688705 [0,2,0,0,0,0|2,0,0]=4 2566 B12R1.1703 CNC(=O)c1ccc(cc1C)F 11a_106832991635_100000686989 [0,2,0,0,0,0|2,0,0]=4 2567 B12R1.1703 CNC(=O)c1ccc(cc1C)F 1626a_100102657272_100000686989 [0,2,0,0,0,0|2,0,0]=4 2568 B12R1.1703 CNC(=O)c1ccc(cc1C)F 240690a_100102657272_100000686989 [0,2,0,0,0,0|2,0,0]=4 2569 B12R1.1703 CNC(=O)c1ccc(cc1C)F 527a_100102657272_100000686989 [0,2,0,0,0,0|2,0,0]=4 2570 B12R1.1703 CNC(=O)c1ccc(cc1C)I 11a_106832991635_100010189873 [0,2,0,0,0,0|2,0,0]=4 2571 B12R1.1703 CNC(=O)c1ccc(cc1C)I 1626a_100102657272_100010189873 [0,2,0,0,0,0|2,0,0]=4 2572 B12R1.1703 CNC(=O)c1ccc(cc1C)I 240690a_100102657272_100010189873 [0,2,0,0,0,0|2,0,0]=4 2573 B12R1.1703 CNC(=O)c1ccc(cc1C)I 527a_100102657272_100010189873 [0,2,0,0,0,0|2,0,0]=4 2574 B12R1.1703 CNC(=O)c1ccc(cc1C)O 240690a_100102657272_100000692822 [0,2,0,0,0,0|2,0,0]=4 2575 B12R1.1703 CNC(=O)c1ccc(cc1C)O 527a_100102657272_100000692822 [0,2,0,0,0,0|2,0,0]=4 2576 B12R1.1703 CNC(C)c1ncc(nc1C)C 269862a_106832991636_100009827721 [0,2,0,0,0,0|1,0,1]=4 2577 B12R1.1703 COC(=O)c1ccc(cc1C)O 271570a_203496583355_100000747612 [0,2,0,0,0,0|2,0,0]=4 2578 B12R1.1703 COC(=O)c1ccc(nc1C)O 271570a_203496583355_100000692007 [0,2,0,0,0,0|1,0,0]=3 2579 B12R1.1703 COC(=O)c1ccc(nc1F)O 271570a_203496583355_100010189635 [0,2,0,0,0,0|2,0,0]=4 2580 B12R1.1703 COC(=O)c1ccc(nc1N)O 271570a_203496583355_100000142702 [0,2,0,0,0,0|2,0,0]=4 2581 B12R1.1703 COC(=O)c1ccc(nc1O)C 271570a_203496583355_100000054099 [0,2,0,0,0,0|2,0,0]=4 2582 B12R1.1703 COC(=O)c1ccc(nc1O)N 271570a_203496583355_100009865240 [0,2,0,0,0,0|2,0,0]=4 2583 B12R1.1703 COC(=O)c1ccc(nc1O)O 271570a_203496583355_100015962272 [0,2,0,0,0,0|2,0,0]=4 2584 B12R1.1703 COC(=O)c1ccc(nc1O)O 271570a_203496583355_100016008356 [0,2,0,0,0,0|2,0,0]=4 2585 B12R1.1703 COC(=O)c1ncc(cc1C)O 271570a_203496583355_100010178714 [0,2,0,0,0,0|1,0,0]=3 2586 B12R1.1703 COC(=O)c1ncc(cc1F)O 271570a_203496583355_100000695675 [0,2,0,0,0,0|2,0,0]=4 2587 B12R1.1703 COC(=O)c1ncc(cc1N)O 271570a_203496583355_100010090751 [0,2,0,0,0,0|2,0,0]=4 2588 B12R1.1703 COC(=O)c1ncc(cc1O)C 271570a_203496583355_100010167497 [0,2,0,0,0,0|2,0,0]=4 2589 B12R1.1703 COC(=O)c1ncc(cc1O)F 271570a_203496583355_100010189631 [0,2,0,0,0,0|2,0,0]=4 2590 B12R1.1703 COC(=O)c1ncc(cc1O)O 271570a_203496583355_100010071521 [0,2,0,0,0,0|2,0,0]=4 2591 B12R1.1703 COC(=O)c1ncc(nc1O)C 271570a_203496583355_100000099855 [0,2,0,0,0,0|1,0,0]=3 2592 B12R1.1703 Cc1cc(ccc1C(=O)CF)Br 1458a_100000741311_100015361967 [0,2,0,0,0,0|2,0,0]=4 2593 B12R1.1703 Cc1cc(ccc1C(=O)CF)Cl 1458a_100000688705_100015361967 [0,2,0,0,0,0|2,0,0]=4 2594 B12R1.1703 Cc1cc(ccc1C(=O)CF)F 1458a_100000686989_100015361967 [0,2,0,0,0,0|2,0,0]=4 2595 B12R1.1703 Cc1cc(ccc1C(=O)CF)I 1458a_100010189873_100015361967 [0,2,0,0,0,0|2,0,0]=4 2596 B12R1.1703 Cc1cc(ccc1C(=O)CF)O 1458a_100000692822_100015361967 [0,2,0,0,0,0|2,0,0]=4 2597 B12R1.1703 Cc1ccc(c(c1)C)C(=O)CF 1458a_100000211164_100015361967 [0,2,0,0,0,0|2,0,0]=4 2598 B12R1.354 CCC(=O)c1cc(ccc1C)Br 1458a_100000759961_100000210202 [0,2,0,0,0,0|2,0,0]=4 2599 B12R1.354 CCC(=O)c1cc(ccc1C)C 1458a_100000195421_100000210202 [0,2,0,0,0,0|2,0,0]=4 2600 B12R1.354 CCC(=O)c1cc(ccc1C)Cl 1458a_100000692595_100000210202 [0,2,0,0,0,0|2,0,0]=4 2601 B12R1.354 CCC(=O)c1cc(ccc1C)F 1458a_100000240043_100000210202 [0,2,0,0,0,0|2,0,0]=4 2602 B12R1.354 CCC(=O)c1cc(ccc1C)I 1458a_100000688012_100000210202 [0,2,0,0,0,0|2,0,0]=4 2603 B12R1.354 CCC(=O)c1cc(ccc1C)O 1458a_100000687834_100000210202 [0,2,0,0,0,0|2,0,0]=4 2604 B12R1.354 CNC(=O)c1cc(ccc1C)Br 11a_106832991635_100000759961 [0,2,0,0,0,0|2,0,0]=4 2605 B12R1.354 CNC(=O)c1cc(ccc1C)Br 1626a_100102657272_100000759961 [0,2,0,0,0,0|2,0,0]=4 2606 B12R1.354 CNC(=O)c1cc(ccc1C)Br 240690a_100102657272_100000759961 [0,2,0,0,0,0|2,0,0]=4 2607 B12R1.354 CNC(=O)c1cc(ccc1C)Br 527a_100102657272_100000759961 [0,2,0,0,0,0|2,0,0]=4 2608 B12R1.354 CNC(=O)c1cc(ccc1C)C 11a_106832991635_100000195421 [0,2,0,0,0,0|2,0,0]=4 2609 B12R1.354 CNC(=O)c1cc(ccc1C)C 1626a_100102657272_100000195421 [0,2,0,0,0,0|2,0,0]=4 2610 B12R1.354 CNC(=O)c1cc(ccc1C)C 240690a_100102657272_100000195421 [0,2,0,0,0,0|2,0,0]=4 2611 B12R1.354 CNC(=O)c1cc(ccc1C)C 527a_100102657272_100000195421 [0,2,0,0,0,0|2,0,0]=4 2612 B12R1.354 CNC(=O)c1cc(ccc1C)Cl 11a_106832991635_100000692595 [0,2,0,0,0,0|2,0,0]=4 2613 B12R1.354 CNC(=O)c1cc(ccc1C)Cl 1626a_100102657272_100000692595 [0,2,0,0,0,0|2,0,0]=4 2614 B12R1.354 CNC(=O)c1cc(ccc1C)Cl 240690a_100102657272_100000692595 [0,2,0,0,0,0|2,0,0]=4 2615 B12R1.354 CNC(=O)c1cc(ccc1C)Cl 527a_100102657272_100000692595 [0,2,0,0,0,0|2,0,0]=4 2616 B12R1.354 CNC(=O)c1cc(ccc1C)F 11a_106832991635_100000240043 [0,2,0,0,0,0|2,0,0]=4 2617 B12R1.354 CNC(=O)c1cc(ccc1C)F 1626a_100102657272_100000240043 [0,2,0,0,0,0|2,0,0]=4 2618 B12R1.354 CNC(=O)c1cc(ccc1C)F 240690a_100102657272_100000240043 [0,2,0,0,0,0|2,0,0]=4 2619 B12R1.354 CNC(=O)c1cc(ccc1C)F 527a_100102657272_100000240043 [0,2,0,0,0,0|2,0,0]=4 2620 B12R1.354 CNC(=O)c1cc(ccc1C)I 11a_106832991635_100000688012 [0,2,0,0,0,0|2,0,0]=4 2621 B12R1.354 CNC(=O)c1cc(ccc1C)I 1626a_100102657272_100000688012 [0,2,0,0,0,0|2,0,0]=4 2622 B12R1.354 CNC(=O)c1cc(ccc1C)I 240690a_100102657272_100000688012 [0,2,0,0,0,0|2,0,0]=4 2623 B12R1.354 CNC(=O)c1cc(ccc1C)I 527a_100102657272_100000688012 [0,2,0,0,0,0|2,0,0]=4 2624 B12R1.354 CNC(=O)c1cc(ccc1C)O 240690a_100102657272_100000687834 [0,2,0,0,0,0|2,0,0]=4 2625 B12R1.354 CNC(C)c1nc(cnc1C)C 269862a_106832991636_200009848865 [0,2,0,0,0,0|1,0,1]=4 2626 B12R1.354 COC(=O)c1cc(ccc1C)O 271570a_203496583355_100012360116 [0,2,0,0,0,0|2,0,0]=4 2627 B12R1.354 COC(=O)c1cc(cnc1C)O 271570a_203496583355_100010180201 [0,2,0,0,0,0|1,0,0]=3 2628 B12R1.354 COC(=O)c1cc(cnc1F)O 271570a_203496583355_100010243567 [0,2,0,0,0,0|2,0,0]=4 2629 B12R1.354 COC(=O)c1cc(cnc1N)O 271570a_203496583355_100009816750 [0,2,0,0,0,0|2,0,0]=4 2630 B12R1.354 COC(=O)c1cc(cnc1O)C 271570a_203496583355_100000085774 [0,2,0,0,0,0|2,0,0]=4 2631 B12R1.354 COC(=O)c1cc(cnc1O)F 271570a_203496583355_100012000215 [0,2,0,0,0,0|2,0,0]=4 2632 B12R1.354 COC(=O)c1cc(cnc1O)N 271570a_203496583355_200012182668 [0,2,0,0,0,0|2,0,0]=4 2633 B12R1.354 COC(=O)c1nc(ccc1C)O 271570a_203496583355_100000117997 [0,2,0,0,0,0|1,0,0]=3 2634 B12R1.354 COC(=O)c1nc(ccc1F)O 271570a_203496583355_100000697719 [0,2,0,0,0,0|2,0,0]=4 2635 B12R1.354 COC(=O)c1nc(ccc1N)O 271570a_203496583355_100009860768 [0,2,0,0,0,0|2,0,0]=4 2636 B12R1.354 COC(=O)c1nc(ccc1O)N 271570a_203496583355_100009816986 [0,2,0,0,0,0|2,0,0]=4 2637 B12R1.354 COC(=O)c1nc(ccc1O)O 271570a_203496583355_100000697862 [0,2,0,0,0,0|2,0,0]=4 2638 B12R1.354 COC(=O)c1nc(ccc1O)O 271570a_203496583355_100010189638 [0,2,0,0,0,0|2,0,0]=4 2639 B12R1.354 COC(=O)c1nc(cnc1C)O 271570a_203496583355_100010884432 [0,2,0,0,0,0|0,0,0]=2 2640 B12R1.354 COC(=O)c1nc(cnc1N)O 271570a_203496583355_100000076761 [0,2,0,0,0,0|1,0,0]=3 2641 B12R1.354 Cc1ccc(c(c1)C(=O)CF)C 1458a_100000195421_100015361967 [0,2,0,0,0,0|2,0,0]=4 2642 B12R1.354 Cc1ccc(cc1C(=O)CF)Br 1458a_100000759961_100015361967 [0,2,0,0,0,0|2,0,0]=4 2643 B12R1.354 Cc1ccc(cc1C(=O)CF)Cl 1458a_100000692595_100015361967 [0,2,0,0,0,0|2,0,0]=4 2644 B12R1.354 Cc1ccc(cc1C(=O)CF)F 1458a_100000240043_100015361967 [0,2,0,0,0,0|2,0,0]=4 2645 B12R1.354 Cc1ccc(cc1C(=O)CF)I 1458a_100000688012_100015361967 [0,2,0,0,0,0|2,0,0]=4 2646 B12R1.354 Cc1ccc(cc1C(=O)CF)O 1458a_100000687834_100015361967 [0,2,0,0,0,0|2,0,0]=4 2647 B12R1.453 C=C(C)c1nc(ccc1C)C#N 271570a_100000694244_100009852034 [0,2,0,0,0,0|2,0,0]=4 2648 B12R1.453 C=Cc1ccc(c(c1)C(=O)C)C 271570a_100011290941_100012706819 [0,2,0,0,0,0|2,0,0]=4 2649 B12R1.453 C=Cc1ccc(c(n1)C(=O)C)F 271570a_100011290941_100009887703 [0,2,0,0,0,0|2,0,0]=4 2650 B12R1.453 C=Cc1cnc(c(c1)C(=O)C)C 271570a_100011290941_100138557192 [0,2,0,0,0,0|1,0,0]=3 2651 B12R1.453 C=Cc1cnc(c(c1)C(=O)C)F 271570a_100011290941_100010254234 [0,2,0,0,0,0|2,0,0]=4 2652 B12R1.453 C=Cc1cnc(c(c1)C(=O)C)N 271570a_100011290941_100010173950 [0,2,0,0,0,0|2,0,0]=4 2653 B12R1.453 C=Cc1cnc(c(n1)C(=O)N)N 271570a_100011290941_100010179960 [0,2,0,0,0,0|2,0,0]=4 2654 B12R1.453 C=Cc1cnc(c(n1)C(=O)N)O 271570a_100011290941_100010272261 [0,2,0,0,0,0|2,0,0]=4 2655 B12R1.453 C=Cc1ncc(c(n1)C(=O)C)C 271570a_100011290941_100010687370 [0,2,0,0,0,0|2,0,0]=4 2656 B12R1.453 CC(=O)c1cc(ccc1C)C#N 1458a_200012187059_200000210301 [0,2,0,0,0,0|2,0,0]=4 2657 B12R1.453 CC(=O)c1cc(ccc1C)S[13CH3] 62a_100012706819_200025704644 [0,2,0,0,0,0|2,0,0]=4 2658 B12R1.453 CC(=O)c1cc(cnc1C)S[13CH3] 62a_100138557192_200025704644 [0,2,0,0,0,0|1,0,0]=3 2659 B12R1.453 CC(=O)c1cc(cnc1C)S[13CH3] 62a_200025704644_100138557192 [0,2,0,0,0,0|1,0,0]=3 2660 B12R1.453 CC(=O)c1cc(cnc1F)S[13CH3] 62a_100010254234_200025704644 [0,2,0,0,0,0|2,0,0]=4 2661 B12R1.453 CC(=O)c1cc(cnc1F)S[13CH3] 62a_200025704644_100010254234 [0,2,0,0,0,0|2,0,0]=4 2662 B12R1.453 CC(=O)c1cc(cnc1N)S[13CH3] 62a_100010173950_200025704644 [0,2,0,0,0,0|2,0,0]=4 2663 B12R1.453 CC(=O)c1cc(cnc1N)S[13CH3] 62a_200025704644_100010173950 [0,2,0,0,0,0|2,0,0]=4 2664 B12R1.453 CC(=O)c1nc(ccc1F)S[13CH3] 62a_100009887703_200025704644 [0,2,0,0,0,0|2,0,0]=4 2665 B12R1.453 CC(=O)c1nc(ccc1F)S[13CH3] 62a_200025704644_100009887703 [0,2,0,0,0,0|2,0,0]=4 2666 B12R1.453 CC(=O)c1nc(ncc1C)S[13CH3] 62a_100010687370_200025704644 [0,2,0,0,0,0|2,0,0]=4 2667 B12R1.453 CC(=O)c1nc(ncc1C)S[13CH3] 62a_200025704644_100010687370 [0,2,0,0,0,0|2,0,0]=4 2668 B12R1.453 CNc1ncc(c(n1)C(=O)C)C 27a_100102657272_100010687370 [0,2,0,0,0,0|2,0,0]=4 2669 B12R1.453 COc1ccc(c(c1)C(=O)C)C 1458a_100011399813_200000210301 [0,2,0,0,0,0|2,0,0]=4 2670 B12R1.453 COc1ccc(c(c1)C(=O)[13CH3])C 1458a_100011399813_200025704644 [0,2,0,0,0,0|2,0,0]=4 2671 B12R1.453 CSc1ccc(c(c1)C(=O)C)C 62a_100012706819_200000210301 [0,2,0,0,0,0|2,0,0]=4 2672 B12R1.453 CSc1ccc(c(n1)C(=O)C)F 62a_100009887703_200000210301 [0,2,0,0,0,0|2,0,0]=4 2673 B12R1.453 CSc1ccc(c(n1)C(=O)C)F 62a_200000210301_100009887703 [0,2,0,0,0,0|2,0,0]=4 2674 B12R1.453 CSc1cnc(c(c1)C(=O)C)C 62a_100138557192_200000210301 [0,2,0,0,0,0|1,0,0]=3 2675 B12R1.453 CSc1cnc(c(c1)C(=O)C)C 62a_200000210301_100138557192 [0,2,0,0,0,0|1,0,0]=3 2676 B12R1.453 CSc1cnc(c(c1)C(=O)C)F 62a_100010254234_200000210301 [0,2,0,0,0,0|2,0,0]=4 2677 B12R1.453 CSc1cnc(c(c1)C(=O)C)F 62a_200000210301_100010254234 [0,2,0,0,0,0|2,0,0]=4 2678 B12R1.453 CSc1cnc(c(c1)C(=O)C)N 62a_100010173950_200000210301 [0,2,0,0,0,0|2,0,0]=4 2679 B12R1.453 CSc1cnc(c(c1)C(=O)C)N 62a_200000210301_100010173950 [0,2,0,0,0,0|2,0,0]=4 2680 B12R1.453 CSc1cnc(c(n1)C(=O)N)N 62a_100010179960_200000210301 [0,2,0,0,0,0|2,0,0]=4 2681 B12R1.453 CSc1cnc(c(n1)C(=O)N)N 62a_200000210301_100010179960 [0,2,0,0,0,0|2,0,0]=4 2682 B12R1.453 CSc1cnc(c(n1)C(=O)N)O 62a_100010272261_200000210301 [0,2,0,0,0,0|2,0,0]=4 2683 B12R1.453 CSc1cnc(c(n1)C(=O)N)O 62a_200000210301_100010272261 [0,2,0,0,0,0|2,0,0]=4 2684 B12R1.453 CSc1ncc(c(n1)C(=O)C)C 62a_100010687370_200000210301 [0,2,0,0,0,0|2,0,0]=4 2685 B12R1.453 CSc1ncc(c(n1)C(=O)C)C 62a_200000210301_100010687370 [0,2,0,0,0,0|2,0,0]=4 2686 B12R1.453 Cc1ccc(cc1C(=O)[13CH3])C#N 1458a_200012187059_200025704644 [0,2,0,0,0,0|2,0,0]=4 2687 B12R1.453 [13CH3]Sc1cnc(c(n1)C(=O)N)N 62a_100010179960_200025704644 [0,2,0,0,0,0|2,0,0]=4 2688 B12R1.453 [13CH3]Sc1cnc(c(n1)C(=O)N)N 62a_200025704644_100010179960 [0,2,0,0,0,0|2,0,0]=4 2689 B12R1.453 [13CH3]Sc1cnc(c(n1)C(=O)N)O 62a_100010272261_200025704644 [0,2,0,0,0,0|2,0,0]=4 2690 B12R1.453 [13CH3]Sc1cnc(c(n1)C(=O)N)O 62a_200025704644_100010272261 [0,2,0,0,0,0|2,0,0]=4 2691 B12R1.243 CCN(CC)c1nccnc1C 27a_100000724800_100011999405 [0,2,0,0,0,0|2,0,0]=4 2692 B12R1.308 C#CCC(=O)c1ccccc1C 1458a_100000212026_100000184674 [0,2,0,0,0,0|2,0,0]=4 2693 B12R1.308 C#CCN(C)c1nccnc1C 27a_100000225692_100011999405 [0,2,0,0,0,0|2,0,0]=4 2694 B12R1.308 C=CCC(=O)c1ccccc1C 1458a_100000212026_100000210623 [0,2,0,0,0,0|2,0,0]=4 2695 B12R1.308 CCCC(=O)c1ccccc1C 1458a_100000212026_100000210303 [0,2,0,0,0,0|2,0,0]=4 2696 B12R1.308 CCCN(C)c1nccnc1C 27a_100000747261_100011999405 [0,2,0,0,0,0|2,0,0]=4 2697 B12R1.308 CCNC(=O)c1ccccc1C 11a_100015525214_100000212026 [0,2,0,0,0,0|2,0,0]=4 2698 B12R1.308 CCNC(=O)c1ccccc1C 240690a_100015525214_100000212026 [0,2,0,0,0,0|2,0,0]=4 2699 B12R1.308 CCNC(=O)c1ccccc1C 527a_100015525214_100000212026 [0,2,0,0,0,0|2,0,0]=4 2700 B12R1.308 CCNC(=O)c1cccnc1O 271570a_203496583355_100000160120 [0,2,0,0,0,0|2,0,0]=4 2701 B12R1.308 CCNC(C)c1nccnc1C 269862a_100015525214_100000702048 [0,2,0,0,0,0|1,0,1]=4 2702 B12R1.308 CCOC(=O)c1cccnc1O 271570a_203496583355_100000170124 [0,2,0,0,0,0|2,0,0]=4 2703 B12R1.308 CCOC(=O)c1ncccc1O 271570a_203496583355_100012351660 [0,2,0,0,0,0|2,0,0]=4 2704 B12R1.308 CNCC(=O)c1ccccc1C 2230a_106832991635_100000741374 [0,2,0,0,0,0|2,0,0]=4 2705 B12R1.308 CNCC(=O)c1ccccc1C 34a_100102657272_100000741374 [0,2,0,0,0,0|2,0,0]=4 2706 B12R1.308 CNCC(=O)c1ccccc1C 7a_106832991635_100000741374 [0,2,0,0,0,0|2,0,0]=4 2707 B12R1.308 CNNC(=O)c1ccccc1C 22a_100016993582_100000212026 [0,2,0,0,0,0|2,0,0]=4 2708 B12R1.308 COCC(=O)c1ccccc1C 34a_100138415774_100000741374 [0,2,0,0,0,0|2,0,0]=4 2709 B12R1.308 CSCC(=O)c1ccccc1C 62a_100000741374_200000210301 [0,2,0,0,0,0|2,0,0]=4 2710 B12R1.308 CSCC(=O)c1ccccc1C 62a_200000210301_100000741374 [0,2,0,0,0,0|2,0,0]=4 2711 B12R1.308 Cc1ccccc1C(=O)CC#N 1458a_100000212026_100011214920 [0,2,0,0,0,0|2,0,0]=4 2712 B12R1.308 Cc1ccccc1C(=O)CCF 1458a_100000212026_100011217306 [0,2,0,0,0,0|2,0,0]=4 2713 B12R1.308 Cc1ccccc1C(=O)CCO 1458a_100000212026_100000211926 [0,2,0,0,0,0|2,0,0]=4 2714 B12R1.308 Cc1ccccc1C(=O)CS[13CH3] 62a_100000741374_200025704644 [0,2,0,0,0,0|2,0,0]=4 2715 B12R1.308 Cc1ccccc1C(=O)CS[13CH3] 62a_200025704644_100000741374 [0,2,0,0,0,0|2,0,0]=4 2716 B12R1.308 Cc1nccnc1N(C)CCO 27a_100000210263_100011999405 [0,2,0,0,0,0|1,0,1]=4 2717 B10R1.10 CC=Cc1cncc(c1)C 271570a_100016259895_100000760492 [0,0,1,1,0,0|2,0,0]=4 2718 B10R1.10 CC=Cc1cncc(n1)C 271570a_100016259895_100009842155 [0,0,1,1,0,0|2,0,0]=4 2719 B10R1.64 CC(=O)Cn1ccnc1C 1458a_100000740315_200000210301 [0,0,1,1,0,0|0,0,2]=4 2720 B10R1.64 Cc1nccn1CC(=O)[13CH3] 1458a_100000740315_200025704644 [0,0,1,1,0,0|0,0,2]=4 2721 B10R1.8 C=Cc1cc(cc(n1)C)C 271570a_100011290941_100000069240 [0,0,1,1,0,0|2,0,0]=4 2722 B10R1.8 C=Cc1nc(cc(n1)C)C 271570a_100011290941_100000736147 [0,0,1,1,0,0|2,0,0]=4 2723 B10R2.6 c1cnc(cn1)C2CC2 271570a_100011220607_100000758340 [1,0,0,1,0,0|1,0,1]=4 2724 B12R2.225 Cc1nccnc1NC2CC2 27a_100000212008_100011999405 [0,0,0,1,0,1|1,0,1]=4 2725 B12R2.225 Cc1nccnc1OC2CC2 34a_100000766352_100000211595 [0,0,0,1,0,1|1,0,1]=4 2726 B12R2.225 Cc1nccnc1SC2CC2 62a_100011999405_100000211595 [0,0,0,1,0,1|1,0,1]=4 2727 B12R2.3190 CC(=O)C1Cc2c1cccc2 1458a_200000238571_200000210301 [0,0,0,1,0,1|2,0,0]=4 2728 B12R2.3190 [13CH3]C(=O)C1Cc2c1cccc2 1458a_200000238571_200025704644 [0,0,0,1,0,1|2,0,0]=4 2729 B12R2.2048 CCc1nccnc1C2CC2 271570a_100011220607_100011995844 [0,1,0,1,0,0|1,0,1]=4 2730 B12R2.2048 CNc1nccnc1C2CC2 271570a_100011220607_100011529439 [0,1,0,1,0,0|1,0,1]=4 2731 B12R2.2048 COc1nccnc1C2CC2 271570a_100011220607_100000749998 [0,1,0,1,0,0|1,0,1]=4 2732 B12R2.2048 NCc1nccnc1C2CC2 271570a_100011220607_100000729963 [0,1,0,1,0,0|1,0,1]=4 2733 B12R2.2048 OCc1nccnc1C2CC2 271570a_100011220607_100000057004 [0,1,0,1,0,0|1,0,1]=4 2734 B12R2.203 O=C1CCc2c1c(ccc2)O 271570a_203496583355_100009816781 [0,1,0,1,0,0|2,0,0]=4 2735 B12R2.196 O=C1CCc2c1cccc2O 271570a_203496583355_100000744605 [0,1,0,1,0,0|2,0,0]=4 2736 B12R2.612 O=C1CCc2c1ccc(c2)O 271570a_203496583355_100000737041 [0,1,0,1,0,0|2,0,0]=4 2737 B12R2.612 O=C1NCc2c1ccc(n2)O 271570a_203496583355_200009864240 [0,1,0,1,0,0|2,0,0]=4 2738 B12R2.1317 Cc1cnc(c(n1)C)C2CC2 271570a_100011220607_100000065684 [0,1,0,1,0,0|1,0,1]=4 2739 B12R2.1317 Cc1nc(cnc1C2CC2)N 271570a_100011220607_100009818570 [0,1,0,1,0,0|1,0,1]=4 2740 B12R2.132 O=C1CCc2c1cc(cc2)O 271570a_203496583355_100000759401 [0,1,0,1,0,0|2,0,0]=4 2741 B12R2.132 O=C1CCc2c1cc(cn2)O 271570a_203496583355_100010174022 [0,1,0,1,0,0|1,0,0]=3 2742 B12R2.132 O=C1CCc2c1nc(cc2)O 271570a_203496583355_100000701527 [0,1,0,1,0,0|1,0,0]=3 2743 B12R2.1316 Cc1cnc(c(n1)C2CC2)C 271570a_100011220607_100000211308 [0,1,0,1,0,0|1,0,1]=4 2744 B12R2.1316 Cc1ncc(nc1C2CC2)N 271570a_100011220607_100009877824 [0,1,0,1,0,0|1,0,1]=4 2745 B12R2.1 CNc1csc2c1nccn2 27a_100102657272_100010174841 [0,1,0,1,0,0|2,0,0]=4 2746 B12R2.1 CNc1n[nH]c2c1nccn2 27a_100102657272_100009819591 [0,1,0,1,0,0|2,0,0]=4 2747 B12R2.1 CSc1c[nH]c2c1nccn2 62a_200000210301_100009819587 [0,1,0,1,0,0|2,0,0]=4 2748 B12R2.1 CSc1csc2c1nccn2 62a_200000210301_100010174841 [0,1,0,1,0,0|2,0,0]=4 2749 B12R2.1 CSc1n[nH]c2c1nccn2 62a_200000210301_100009819591 [0,1,0,1,0,0|2,0,0]=4 2750 B12R2.1 [13CH3]Sc1c[nH]c2c1nccn2 62a_200025704644_100009819587 [0,1,0,1,0,0|2,0,0]=4 2751 B12R2.1 [13CH3]Sc1csc2c1nccn2 62a_200025704644_100010174841 [0,1,0,1,0,0|2,0,0]=4 2752 B12R2.1 [13CH3]Sc1n[nH]c2c1nccn2 62a_200025704644_100009819591 [0,1,0,1,0,0|2,0,0]=4 2753 B12R2.517 Cc1nccnc1N2CCC2 27a_100000754969_100011999405 [0,1,0,1,0,0|2,0,0]=4 2754 B8R1.7 C=C(C)c1c[nH]cn1 271570a_100000694244_100000756875 [1,0,0,0,1,0|1,0,1]=4 2755 B8R1.7 C=C(C)c1cc[nH]n1 271570a_100000694244_100000062575 [1,0,0,0,1,0|2,0,0]=4 2756 B8R1.7 C=C(C)c1ccco1 271570a_100000694244_100009814098 [1,0,0,0,1,0|2,0,0]=4 2757 B8R1.7 C=C(C)c1cccs1 271570a_100000694244_100011215356 [1,0,0,0,1,0|2,0,0]=4 2758 B8R1.7 C=C(C)c1ccoc1 271570a_100000694244_100011215275 [1,0,0,0,1,0|2,0,0]=4 2759 B8R1.7 C=C(C)c1ccsc1 271570a_100000694244_100000738268 [1,0,0,0,1,0|2,0,0]=4 2760 B8R1.7 C=C(C)c1ccsn1 271570a_100000694244_100009818082 [1,0,0,0,1,0|2,0,0]=4 2761 B8R1.7 C=C(C)c1cn[nH]c1 271570a_100000694244_100000238712 [1,0,0,0,1,0|2,0,0]=4 2762 B8R1.7 C=C(C)c1cnco1 271570a_100000694244_100020591547 [1,0,0,0,1,0|2,0,0]=4 2763 B8R1.7 C=C(C)c1cncs1 271570a_100000694244_100011934649 [1,0,0,0,1,0|2,0,0]=4 2764 B8R1.7 C=C(C)c1cnoc1 271570a_100000694244_100009815712 [1,0,0,0,1,0|2,0,0]=4 2765 B8R1.7 C=C(C)c1cnsc1 271570a_100000694244_100009815736 [1,0,0,0,1,0|2,0,0]=4 2766 B8R1.7 C=C(C)c1cscn1 271570a_100000694244_100000751502 [1,0,0,0,1,0|2,0,0]=4 2767 B8R1.7 C=C(C)c1nc[nH]n1 271570a_100000694244_100000761765 [1,0,0,0,1,0|2,0,0]=4 2768 B8R1.7 C=C(C)c1ncc[nH]1 271570a_100000694244_100025796157 [1,0,0,0,1,0|1,0,1]=4 2769 B8R1.7 C=C(C)c1ncco1 271570a_100000694244_100011787736 [1,0,0,0,1,0|2,0,0]=4 2770 B8R1.7 C=C(C)c1nccs1 271570a_100000694244_100000211983 [1,0,0,0,1,0|2,0,0]=4 2771 B8R1.7 C=C(C)c1ncns1 271570a_100000694244_100000693119 [1,0,0,0,1,0|2,0,0]=4 2772 B8R1.11 C=Cc1c[nH]nc1C 271570a_100011290941_100011912673 [1,0,0,0,1,0|1,0,1]=4 2773 B8R1.11 C=Cc1ccnn1C 271570a_100011290941_100000688441 [1,0,0,0,1,0|1,0,1]=4 2774 B8R1.11 C=Cc1ccsc1C 271570a_100011290941_100000684487 [1,0,0,0,1,0|1,0,1]=4 2775 B8R1.11 C=Cc1n[nH]cc1C 271570a_100011290941_100009871783 [1,0,0,0,1,0|1,0,1]=4 2776 B8R1.11 C=Cc1nc[nH]c1C 271570a_100011290941_100009816806 [1,0,0,0,1,0|0,0,2]=4 2777 B8R1.11 C=Cc1nccn1C 271570a_100011290941_100000707724 [1,0,0,0,1,0|1,0,1]=4 2778 B8R1.11 C=Cc1ncnn1C 271570a_100011290941_100000732653 [1,0,0,0,1,0|1,0,1]=4 2779 B8R1.11 C=Cc1ncsc1C 271570a_100011290941_100000732656 [1,0,0,0,1,0|1,0,1]=4 2780 B8R1.11 C=Cc1sccc1C 271570a_100011290941_100000742657 [1,0,0,0,1,0|1,0,1]=4 2781 B8R1.11 C=Cc1scnc1C 271570a_100011290941_100009817116 [1,0,0,0,1,0|1,0,1]=4 2782 B8R1.11 CNc1ncnn1C 27a_100102657272_100000732653 [1,0,0,0,1,0|2,0,0]=4 2783 B8R1.11 COc1ccnn1C 34a_100020632926_200000210301 [1,0,0,0,1,0|2,0,0]=4 2784 B8R1.11 CSc1c[nH]nc1C 62a_100000692133_200000210301 [1,0,0,0,1,0|2,0,0]=4 2785 B8R1.11 CSc1c[nH]nc1C 62a_200000210301_100000692133 [1,0,0,0,1,0|2,0,0]=4 2786 B8R1.11 CSc1ccnn1C 62a_100000688441_200000210301 [1,0,0,0,1,0|2,0,0]=4 2787 B8R1.11 CSc1ccnn1C 62a_200000210301_100000688441 [1,0,0,0,1,0|2,0,0]=4 2788 B8R1.11 CSc1ccsc1C 62a_100000684487_200000210301 [1,0,0,0,1,0|2,0,0]=4 2789 B8R1.11 CSc1ccsc1C 62a_200000210301_100000684487 [1,0,0,0,1,0|2,0,0]=4 2790 B8R1.11 CSc1n[nH]cc1C 62a_100009871783_200000210301 [1,0,0,0,1,0|2,0,0]=4 2791 B8R1.11 CSc1n[nH]cc1C 62a_200000210301_100009871783 [1,0,0,0,1,0|2,0,0]=4 2792 B8R1.11 CSc1nc[nH]c1C 62a_100010186451_200000210301 [1,0,0,0,1,0|1,0,1]=4 2793 B8R1.11 CSc1nc[nH]c1C 62a_200000210301_100010186451 [1,0,0,0,1,0|1,0,1]=4 2794 B8R1.11 CSc1nccn1C 62a_100000707724_200000210301 [1,0,0,0,1,0|2,0,0]=4 2795 B8R1.11 CSc1nccn1C 62a_200000210301_100000707724 [1,0,0,0,1,0|2,0,0]=4 2796 B8R1.11 CSc1ncnn1C 62a_100000732653_200000210301 [1,0,0,0,1,0|2,0,0]=4 2797 B8R1.11 CSc1ncnn1C 62a_200000210301_100000732653 [1,0,0,0,1,0|2,0,0]=4 2798 B8R1.11 CSc1ncsc1C 62a_100000732656_200000210301 [1,0,0,0,1,0|2,0,0]=4 2799 B8R1.11 CSc1ncsc1C 62a_200000210301_100000732656 [1,0,0,0,1,0|2,0,0]=4 2800 B8R1.11 CSc1sccc1C 62a_100010247149_200000210301 [1,0,0,0,1,0|2,0,0]=4 2801 B8R1.11 CSc1sccc1C 62a_200000210301_100010247149 [1,0,0,0,1,0|2,0,0]=4 2802 B8R1.11 CSc1scnc1C 62a_100009817116_200000210301 [1,0,0,0,1,0|2,0,0]=4 2803 B8R1.11 CSc1scnc1C 62a_200000210301_100009817116 [1,0,0,0,1,0|2,0,0]=4 2804 B8R1.11 Cc1[nH]cnc1S[13CH3] 62a_100010186451_200025704644 [1,0,0,0,1,0|1,0,1]=4 2805 B8R1.11 Cc1[nH]cnc1S[13CH3] 62a_200025704644_100010186451 [1,0,0,0,1,0|1,0,1]=4 2806 B8R1.11 Cc1c[nH]nc1S[13CH3] 62a_100009871783_200025704644 [1,0,0,0,1,0|2,0,0]=4 2807 B8R1.11 Cc1c[nH]nc1S[13CH3] 62a_200025704644_100009871783 [1,0,0,0,1,0|2,0,0]=4 2808 B8R1.11 Cc1ccsc1S[13CH3] 62a_100010247149_200025704644 [1,0,0,0,1,0|2,0,0]=4 2809 B8R1.11 Cc1ccsc1S[13CH3] 62a_200025704644_100010247149 [1,0,0,0,1,0|2,0,0]=4 2810 B8R1.11 Cc1n[nH]cc1S[13CH3] 62a_100000692133_200025704644 [1,0,0,0,1,0|2,0,0]=4 2811 B8R1.11 Cc1n[nH]cc1S[13CH3] 62a_200025704644_100000692133 [1,0,0,0,1,0|2,0,0]=4 2812 B8R1.11 Cc1ncsc1S[13CH3] 62a_100009817116_200025704644 [1,0,0,0,1,0|2,0,0]=4 2813 B8R1.11 Cc1ncsc1S[13CH3] 62a_200025704644_100009817116 [1,0,0,0,1,0|2,0,0]=4 2814 B8R1.11 Cc1sccc1S[13CH3] 62a_100000684487_200025704644 [1,0,0,0,1,0|2,0,0]=4 2815 B8R1.11 Cc1sccc1S[13CH3] 62a_200025704644_100000684487 [1,0,0,0,1,0|2,0,0]=4 2816 B8R1.11 Cc1scnc1S[13CH3] 62a_100000732656_200025704644 [1,0,0,0,1,0|2,0,0]=4 2817 B8R1.11 Cc1scnc1S[13CH3] 62a_200025704644_100000732656 [1,0,0,0,1,0|2,0,0]=4 2818 B8R1.11 Cn1ccnc1S[13CH3] 62a_100000707724_200025704644 [1,0,0,0,1,0|2,0,0]=4 2819 B8R1.11 Cn1ccnc1S[13CH3] 62a_200025704644_100000707724 [1,0,0,0,1,0|2,0,0]=4 2820 B8R1.11 Cn1nccc1O[13CH3] 34a_100020632926_200025704644 [1,0,0,0,1,0|2,0,0]=4 2821 B8R1.11 Cn1nccc1S[13CH3] 62a_100000688441_200025704644 [1,0,0,0,1,0|2,0,0]=4 2822 B8R1.11 Cn1nccc1S[13CH3] 62a_200025704644_100000688441 [1,0,0,0,1,0|2,0,0]=4 2823 B8R1.11 Cn1ncnc1S[13CH3] 62a_100000732653_200025704644 [1,0,0,0,1,0|2,0,0]=4 2824 B8R1.11 Cn1ncnc1S[13CH3] 62a_200025704644_100000732653 [1,0,0,0,1,0|2,0,0]=4 2825 B8R1.11 O=Cc1ccsc1O 271570a_203496583355_100009816921 [1,0,0,0,1,0|2,0,0]=4 2826 B8R1.11 O=Cc1occc1O 271570a_203496583355_100000756499 [1,0,0,0,1,0|2,0,0]=4 2827 B8R1.11 O=Cc1sccc1O 271570a_203496583355_100000766043 [1,0,0,0,1,0|2,0,0]=4 2828 B12R1.125 C=C(C)CNc1nccnc1C 27a_100000765925_100011999405 [0,0,0,0,0,2|1,0,0]=3 2829 B12R1.125 C=C(C)CNc1nccnc1F 27a_100000765925_200010125657 [0,0,0,0,0,2|2,0,0]=4 2830 B12R1.125 C=C(C)COc1cccnc1C 34a_100000745507_100000748629 [0,0,0,0,0,2|2,0,0]=4 2831 B12R1.125 C=C(C)COc1cccnc1C 7a_100000745507_100000748629 [0,0,0,0,0,2|2,0,0]=4 2832 B12R1.125 C=C(C)COc1nccnc1C 34a_100000766352_100000748629 [0,0,0,0,0,2|1,0,0]=3 2833 B12R1.125 C=C(C)CSc1cccnc1C 62a_100000748629_100000751574 [0,0,0,0,0,2|2,0,0]=4 2834 B12R1.125 C=C(C)CSc1cccnc1C 62a_100000751574_100000211660 [0,0,0,0,0,2|2,0,0]=4 2835 B12R1.125 C=C(C)CSc1ncccc1C 62a_100000748629_100000751373 [0,0,0,0,0,2|2,0,0]=4 2836 B12R1.125 C=C(C)CSc1ncccc1C 62a_100000751373_100000211660 [0,0,0,0,0,2|2,0,0]=4 2837 B12R1.125 C=C(C)CSc1nccnc1C 62a_100000748629_100011999405 [0,0,0,0,0,2|1,0,0]=3 2838 B12R1.125 C=C(C)CSc1nccnc1C 62a_100011999405_100000211660 [0,0,0,0,0,2|1,0,0]=3 2839 B12R1.125 C=C(C)CSc1nccnc1Cl 62a_100000748629_100010886584 [0,0,0,0,0,2|2,0,0]=4 2840 B12R1.125 C=C(C)CSc1nccnc1Cl 62a_100010886584_100000211660 [0,0,0,0,0,2|2,0,0]=4 2841 B12R1.125 C=C(C)CSc1nccnc1F 62a_100000748629_200010125657 [0,0,0,0,0,2|2,0,0]=4 2842 B12R1.125 C=C(C)CSc1nccnc1F 62a_200010125657_100000211660 [0,0,0,0,0,2|2,0,0]=4 2843 B12R1.125 C=C(C)CSc1nccnc1N 62a_100000747729_100000211660 [0,0,0,0,0,2|2,0,0]=4 2844 B12R1.125 C=C(C)CSc1nccnc1N 62a_100000748629_100000747729 [0,0,0,0,0,2|2,0,0]=4 2845 B12R1.125 C=C(F)COc1nccnc1C 34a_100000766352_100009893438 [0,0,0,0,0,2|1,0,1]=4 2846 B12R1.125 C=C(F)CSc1nccnc1C 62a_100000042424_100011999405 [0,0,0,0,0,2|1,0,1]=4 2847 B12R1.125 C=C(F)CSc1nccnc1C 62a_100011999405_100000042424 [0,0,0,0,0,2|1,0,1]=4 2848 B12R1.125 CC(=O)CCc1ccccc1C 1458a_100000070787_100011713688 [0,0,0,0,0,2|2,0,0]=4 2849 B12R1.125 CC(=O)CCc1ccccc1C 1458a_100000748742_200000210301 [0,0,0,0,0,2|2,0,0]=4 2850 B12R1.125 CC(=O)COc1ccccc1C 1458a_100000182418_200000210301 [0,0,0,0,0,2|2,0,0]=4 2851 B12R1.125 CC(=O)CSc1ccccc1C 1458a_100000183026_200000210301 [0,0,0,0,0,2|2,0,0]=4 2852 B12R1.125 CC(=O)NCc1ccccc1C 11a_100000174972_100015343762 [0,0,0,0,0,2|2,0,0]=4 2853 B12R1.125 CC(=O)NCc1ccccc1C 1626a_100000174972_100015343762 [0,0,0,0,0,2|2,0,0]=4 2854 B12R1.125 CC(=O)NCc1ccccc1C 240690a_100000174972_100015343762 [0,0,0,0,0,2|2,0,0]=4 2855 B12R1.125 CC(=O)NCc1ccccc1C 527a_100000174972_100103153847 [0,0,0,0,0,2|2,0,0]=4 2856 B12R1.125 CC(=O)NCc1cccnc1Br 11a_100009818023_100015343762 [0,0,0,0,0,2|2,0,0]=4 2857 B12R1.125 CC(=O)NCc1cccnc1Br 240690a_100009818023_100015343762 [0,0,0,0,0,2|2,0,0]=4 2858 B12R1.125 CC(=O)NCc1cccnc1Br 527a_100009818023_100103153847 [0,0,0,0,0,2|2,0,0]=4 2859 B12R1.125 CC(=O)NCc1cccnc1Cl 11a_100015189234_100015343762 [0,0,0,0,0,2|2,0,0]=4 2860 B12R1.125 CC(=O)NCc1cccnc1Cl 1626a_100015189234_100015343762 [0,0,0,0,0,2|2,0,0]=4 2861 B12R1.125 CC(=O)NCc1cccnc1Cl 240690a_100015189234_100015343762 [0,0,0,0,0,2|2,0,0]=4 2862 B12R1.125 CC(=O)NCc1cccnc1Cl 527a_100015189234_100103153847 [0,0,0,0,0,2|2,0,0]=4 2863 B12R1.125 CC(=O)NCc1cccnc1F 11a_100000724633_100015343762 [0,0,0,0,0,2|2,0,0]=4 2864 B12R1.125 CC(=O)NCc1cccnc1F 1626a_100000724633_100015343762 [0,0,0,0,0,2|2,0,0]=4 2865 B12R1.125 CC(=O)NCc1cccnc1F 240690a_100000724633_100015343762 [0,0,0,0,0,2|2,0,0]=4 2866 B12R1.125 CC(=O)NCc1cccnc1F 527a_100000724633_100103153847 [0,0,0,0,0,2|2,0,0]=4 2867 B12R1.125 CC(=O)NCc1ncccc1Br 11a_100020591323_100015343762 [0,0,0,0,0,2|2,0,0]=4 2868 B12R1.125 CC(=O)NCc1ncccc1Br 240690a_100020591323_100015343762 [0,0,0,0,0,2|2,0,0]=4 2869 B12R1.125 CC(=O)NCc1ncccc1Br 527a_100020591323_100103153847 [0,0,0,0,0,2|2,0,0]=4 2870 B12R1.125 CC(=O)NCc1ncccc1C 11a_100011223789_100015343762 [0,0,0,0,0,2|1,0,0]=3 2871 B12R1.125 CC(=O)NCc1ncccc1C 1626a_100011223789_100015343762 [0,0,0,0,0,2|1,0,0]=3 2872 B12R1.125 CC(=O)NCc1ncccc1C 240690a_100011223789_100015343762 [0,0,0,0,0,2|1,0,0]=3 2873 B12R1.125 CC(=O)NCc1ncccc1C 527a_100011223789_100103153847 [0,0,0,0,0,2|1,0,0]=3 2874 B12R1.125 CC(=O)NCc1ncccc1Cl 11a_100015189233_100015343762 [0,0,0,0,0,2|2,0,0]=4 2875 B12R1.125 CC(=O)NCc1ncccc1Cl 1626a_100015189233_100015343762 [0,0,0,0,0,2|2,0,0]=4 2876 B12R1.125 CC(=O)NCc1ncccc1Cl 240690a_100015189233_100015343762 [0,0,0,0,0,2|2,0,0]=4 2877 B12R1.125 CC(=O)NCc1ncccc1Cl 527a_100015189233_100103153847 [0,0,0,0,0,2|2,0,0]=4 2878 B12R1.125 CC(=O)NCc1ncccc1F 11a_100000690088_100015343762 [0,0,0,0,0,2|2,0,0]=4 2879 B12R1.125 CC(=O)NCc1ncccc1F 1626a_100000690088_100015343762 [0,0,0,0,0,2|2,0,0]=4 2880 B12R1.125 CC(=O)NCc1ncccc1F 240690a_100000690088_100015343762 [0,0,0,0,0,2|2,0,0]=4 2881 B12R1.125 CC(=O)NCc1ncccc1F 527a_100000690088_100103153847 [0,0,0,0,0,2|2,0,0]=4 2882 B12R1.125 CC(=O)NCc1nccnc1C 11a_100020641712_100015343762 [0,0,0,0,0,2|0,0,0]=2 2883 B12R1.125 CC(=O)NCc1nccnc1C 240690a_100020641712_100015343762 [0,0,0,0,0,2|0,0,0]=2 2884 B12R1.125 CC(=O)NCc1nccnc1C 527a_100020641712_100103153847 [0,0,0,0,0,2|0,0,0]=2 2885 B12R1.125 CC(=O)NCc1nccnc1Cl 11a_100000729963_100015343762 [0,0,0,0,0,2|1,0,0]=3 2886 B12R1.125 CC(=O)NCc1nccnc1Cl 240690a_100000729963_100015343762 [0,0,0,0,0,2|1,0,0]=3 2887 B12R1.125 CC(=O)NCc1nccnc1Cl 527a_100000729963_100103153847 [0,0,0,0,0,2|1,0,0]=3 2888 B12R1.125 CC(=O)NNc1ccccc1C 22a_100000184220_100000070787 [0,0,0,0,0,2|2,0,0]=4 2889 B12R1.125 CC(=O)NNc1cccnc1C 22a_100000730703_100000070787 [0,0,0,0,0,2|1,0,0]=3 2890 B12R1.125 CC(=O)NNc1ncccc1Br 22a_100011464834_100000070787 [0,0,0,0,0,2|2,0,0]=4 2891 B12R1.125 CC(=O)NNc1ncccc1C 22a_100000708268_100000070787 [0,0,0,0,0,2|1,0,0]=3 2892 B12R1.125 CC(=O)NNc1ncccc1Cl 22a_100000741667_100000070787 [0,0,0,0,0,2|2,0,0]=4 2893 B12R1.125 CC(=O)NNc1ncccc1F 22a_100000717775_100000070787 [0,0,0,0,0,2|2,0,0]=4 2894 B12R1.125 CC(=O)NNc1ncccc1I 22a_100010221029_100000070787 [0,0,0,0,0,2|2,0,0]=4 2895 B12R1.125 CC(=O)NNc1nccnc1Cl 22a_100000755098_100000070787 [0,0,0,0,0,2|1,0,0]=3 2896 B12R1.125 CC(=O)NNc1ncncc1C 22a_100000121387_100000070787 [0,0,0,0,0,2|2,0,0]=4 2897 B12R1.125 Cc1ccccc1CCC(=O)[13CH3] 1458a_100000748742_200025704644 [0,0,0,0,0,2|2,0,0]=4 2898 B12R1.125 Cc1ccccc1OCC(=O)[13CH3] 1458a_100000182418_200025704644 [0,0,0,0,0,2|2,0,0]=4 2899 B12R1.125 Cc1ccccc1SCC(=O)[13CH3] 1458a_100000183026_200025704644 [0,0,0,0,0,2|2,0,0]=4 2900 B12R1.125 Cc1cccnc1SCC(=O)N 62a_100000747473_100000751373 [0,0,0,0,0,2|2,0,0]=4 2901 B12R1.125 Cc1cccnc1SCC(=O)N 62a_100000751373_100000747473 [0,0,0,0,0,2|2,0,0]=4 2902 B12R1.125 Cc1cccnc1SCC(=O)[O-] 62a_100000751373_100020667443 [0,0,0,0,0,2|2,0,0]=4 2903 B12R1.125 Cc1cccnc1SCC(=O)[O-] 62a_100020667443_100000751373 [0,0,0,0,0,2|2,0,0]=4 2904 B12R1.125 Cc1ncccc1OCC(=O)N 34a_100000745507_100000187820 [0,0,0,0,0,2|2,0,0]=4 2905 B12R1.125 Cc1ncccc1OCC(=O)N 7a_100000745507_100000187820 [0,0,0,0,0,2|2,0,0]=4 2906 B12R1.125 Cc1ncccc1OCC(=O)[O-] 34a_100000745507_100020667443 [0,0,0,0,0,2|2,0,0]=4 2907 B12R1.125 Cc1ncccc1SCC(=O)N 62a_100000747473_100000751574 [0,0,0,0,0,2|2,0,0]=4 2908 B12R1.125 Cc1ncccc1SCC(=O)N 62a_100000751574_100000747473 [0,0,0,0,0,2|2,0,0]=4 2909 B12R1.125 Cc1ncccc1SCC(=O)[O-] 62a_100000751574_100020667443 [0,0,0,0,0,2|2,0,0]=4 2910 B12R1.125 Cc1ncccc1SCC(=O)[O-] 62a_100020667443_100000751574 [0,0,0,0,0,2|2,0,0]=4 2911 B12R1.125 Cc1nccnc1C=CC(C)C 271570a_100016257149_100011999405 [0,0,0,0,0,2|1,0,1]=4 2912 B12R1.125 Cc1nccnc1C=CC(C)O 271570a_200011019289_100011999405 [0,0,0,0,0,2|0,0,2]=4 2913 B12R1.125 Cc1nccnc1CNC(C)C 2230a_100020641712_100000210206 [0,0,0,0,0,2|1,0,1]=4 2914 B12R1.125 Cc1nccnc1CNC(C)C 34a_100020641712_100000210206 [0,0,0,0,0,2|1,0,1]=4 2915 B12R1.125 Cc1nccnc1NCC(C)C 27a_100000210953_100011999405 [0,0,0,0,0,2|1,0,1]=4 2916 B12R1.125 Cc1nccnc1NCC(C)O 27a_100000210904_100011999405 [0,0,0,0,0,2|0,0,2]=4 2917 B12R1.125 Cc1nccnc1OCC(=O)N 34a_100000766352_100000187820 [0,0,0,0,0,2|1,0,0]=3 2918 B12R1.125 Cc1nccnc1OCC(=O)[O-] 34a_100000766352_100020667443 [0,0,0,0,0,2|1,0,0]=3 2919 B12R1.125 Cc1nccnc1OCC(C)C 34a_100000766352_100000210624 [0,0,0,0,0,2|1,0,1]=4 2920 B12R1.125 Cc1nccnc1OCC(C)O 34a_100000766352_100011218427 [0,0,0,0,0,2|0,0,2]=4 2921 B12R1.125 Cc1nccnc1OC[C@@H](C)O 34a_100000766352_100009817552 [0,0,0,0,0,2|0,0,2]=4 2922 B12R1.125 Cc1nccnc1OC[N+](=O)[O-] 34a_100000766352_100000761209 [0,0,0,0,0,2|2,0,0]=4 2923 B12R1.125 Cc1nccnc1SCC(=O)N 62a_100000747473_100011999405 [0,0,0,0,0,2|1,0,0]=3 2924 B12R1.125 Cc1nccnc1SCC(=O)N 62a_100011999405_100000747473 [0,0,0,0,0,2|1,0,0]=3 2925 B12R1.125 Cc1nccnc1SCC(=O)[O-] 62a_100011999405_100020667443 [0,0,0,0,0,2|1,0,0]=3 2926 B12R1.125 Cc1nccnc1SCC(=O)[O-] 62a_100020667443_100011999405 [0,0,0,0,0,2|1,0,0]=3 2927 B12R1.125 Cc1nccnc1SCC(C)C 62a_100000210624_100011999405 [0,0,0,0,0,2|1,0,1]=4 2928 B12R1.125 Cc1nccnc1SCC(C)C 62a_100011999405_100000210760 [0,0,0,0,0,2|1,0,1]=4 2929 B12R1.125 Cc1nccnc1SCC(C)O 62a_100011218427_100011999405 [0,0,0,0,0,2|0,0,2]=4 2930 B12R1.125 Cc1nccnc1SCC(C)O 62a_100011999405_100011218427 [0,0,0,0,0,2|0,0,2]=4 2931 B12R1.125 Cc1nccnc1SC[C@@H](C)O 62a_100009817552_100011999405 [0,0,0,0,0,2|0,0,2]=4 2932 B12R1.125 Cc1nccnc1SC[C@@H](C)O 62a_100011999405_100009817552 [0,0,0,0,0,2|0,0,2]=4 2933 B12R1.125 Cc1nccnc1SC[N+](=O)[O-] 62a_100011999405_100000761209 [0,0,0,0,0,2|2,0,0]=4 2934 B12R1.125 NC(=O)CSc1nccnc1Cl 62a_100000747473_100010886584 [0,0,0,0,0,2|2,0,0]=4 2935 B12R1.125 NC(=O)CSc1nccnc1Cl 62a_100010886584_100000747473 [0,0,0,0,0,2|2,0,0]=4 2936 B12R1.125 NC(=O)CSc1nccnc1F 62a_100000747473_200010125657 [0,0,0,0,0,2|2,0,0]=4 2937 B12R1.125 NC(=O)CSc1nccnc1F 62a_200010125657_100000747473 [0,0,0,0,0,2|2,0,0]=4 2938 B12R1.125 NC(=O)CSc1nccnc1N 62a_100000747473_100000747729 [0,0,0,0,0,2|2,0,0]=4 2939 B12R1.125 NC(=O)CSc1nccnc1N 62a_100000747729_100000747473 [0,0,0,0,0,2|2,0,0]=4 2940 B12R1.125 Nc1nccnc1SCC(=O)[O-] 62a_100000747729_100020667443 [0,0,0,0,0,2|2,0,0]=4 2941 B12R1.125 Nc1nccnc1SCC(=O)[O-] 62a_100020667443_100000747729 [0,0,0,0,0,2|2,0,0]=4 2942 B12R1.125 O=C([O-])CSc1nccnc1Cl 62a_100010886584_100020667443 [0,0,0,0,0,2|2,0,0]=4 2943 B12R1.125 O=C([O-])CSc1nccnc1Cl 62a_100020667443_100010886584 [0,0,0,0,0,2|2,0,0]=4 2944 B12R1.125 O=C([O-])CSc1nccnc1F 62a_100020667443_200010125657 [0,0,0,0,0,2|2,0,0]=4 2945 B12R1.125 O=C([O-])CSc1nccnc1F 62a_200010125657_100020667443 [0,0,0,0,0,2|2,0,0]=4