0 B10R1.61 C=C(C)c1c[nH]ccc1=O 271570a_100000694244_100009998708 [0,0,0,0,0,0|3,0,1]=4 1 B10R1.61 C=C(C)c1c[nH]ccc1=S 271570a_100000694244_200012280681 [0,0,0,0,0,0|3,1,0]=4 2 B10R1.61 C=C(C)c1ccc[nH]c1=O 271570a_100000694244_100000050042 [0,0,0,0,0,0|3,0,1]=4 3 B10R1.61 C=C(C)c1cccc[n+]1C 271570a_100000694244_100000212160 [0,0,0,0,0,0|4,0,0]=4 4 B10R1.61 C=C(C)c1cccc[n+]1[O-] 271570a_100000694244_200000042595 [0,0,0,0,0,0|3,0,1]=4 5 B10R1.61 C=C(C)c1ccccc1Br 271570a_100000694244_100000695589 [0,0,0,0,0,0|3,0,0]=3 6 B10R1.61 C=C(C)c1ccccc1C 271570a_100000694244_100000210755 [0,0,0,0,0,0|3,0,0]=3 7 B10R1.61 C=C(C)c1ccccc1Cl 271570a_100000694244_100000764095 [0,0,0,0,0,0|3,0,0]=3 8 B10R1.61 C=C(C)c1ccccc1F 271570a_100000694244_100011215700 [0,0,0,0,0,0|3,0,0]=3 9 B10R1.61 C=C(C)c1ccccc1N 271570a_100000694244_100000210017 [0,0,0,0,0,0|3,0,0]=3 10 B10R1.61 C=C(C)c1ccccc1O 271570a_100000694244_100000739446 [0,0,0,0,0,0|2,0,0]=2 11 B10R1.61 C=C(C)c1cccnc1Br 271570a_100000694244_100010202626 [0,0,0,0,0,0|4,0,0]=4 12 B10R1.61 C=C(C)c1cccnc1C 271570a_100000694244_100000751574 [0,0,0,0,0,0|4,0,0]=4 13 B10R1.61 C=C(C)c1cccnc1Cl 271570a_100000694244_100000036424 [0,0,0,0,0,0|4,0,0]=4 14 B10R1.61 C=C(C)c1cccnc1F 271570a_100000694244_100009816115 [0,0,0,0,0,0|4,0,0]=4 15 B10R1.61 C=C(C)c1cccnc1N 271570a_100000694244_100000045569 [0,0,0,0,0,0|4,0,0]=4 16 B10R1.61 C=C(C)c1ccncc1Br 271570a_100000694244_100000726257 [0,0,0,0,0,0|4,0,0]=4 17 B10R1.61 C=C(C)c1ccncc1C 271570a_100000694244_100015191297 [0,0,0,0,0,0|4,0,0]=4 18 B10R1.61 C=C(C)c1ccncc1Cl 271570a_100000694244_100000708259 [0,0,0,0,0,0|4,0,0]=4 19 B10R1.61 C=C(C)c1ccncc1F 271570a_100000694244_100000047030 [0,0,0,0,0,0|4,0,0]=4 20 B10R1.61 C=C(C)c1ccncc1N 271570a_100000694244_100009815883 [0,0,0,0,0,0|4,0,0]=4 21 B10R1.61 C=C(C)c1ccncc1O 271570a_100000694244_100009817591 [0,0,0,0,0,0|3,0,0]=3 22 B10R1.61 C=C(C)c1cnccc1Br 271570a_100000694244_100010138639 [0,0,0,0,0,0|4,0,0]=4 23 B10R1.61 C=C(C)c1cnccc1C 271570a_100000694244_100000761580 [0,0,0,0,0,0|4,0,0]=4 24 B10R1.61 C=C(C)c1cnccc1Cl 271570a_100000694244_100009995489 [0,0,0,0,0,0|4,0,0]=4 25 B10R1.61 C=C(C)c1cnccc1F 271570a_100000694244_100009820683 [0,0,0,0,0,0|4,0,0]=4 26 B10R1.61 C=C(C)c1cnccc1N 271570a_100000694244_100000047001 [0,0,0,0,0,0|4,0,0]=4 27 B10R1.61 C=C(C)c1cncnc1O 271570a_100000694244_100000751107 [0,0,0,0,0,0|4,0,0]=4 28 B10R1.61 C=C(C)c1ncccc1Br 271570a_100000694244_100000696092 [0,0,0,0,0,0|4,0,0]=4 29 B10R1.61 C=C(C)c1ncccc1C 271570a_100000694244_100000751373 [0,0,0,0,0,0|4,0,0]=4 30 B10R1.61 C=C(C)c1ncccc1Cl 271570a_100000694244_100011356963 [0,0,0,0,0,0|4,0,0]=4 31 B10R1.61 C=C(C)c1ncccc1F 271570a_100000694244_100000685392 [0,0,0,0,0,0|4,0,0]=4 32 B10R1.61 C=C(C)c1ncccc1N 271570a_100000694244_100000688686 [0,0,0,0,0,0|4,0,0]=4 33 B10R1.61 C=C(C)c1ncccc1O 271570a_100000694244_100000034122 [0,0,0,0,0,0|3,0,0]=3 34 B10R1.61 CC(=O)c1ccccc1Br 1458a_100000188424_200000210301 [0,0,0,0,0,0|2,0,0]=2 35 B10R1.61 CC(=O)c1ccccc1C 1458a_100000212026_200000210301 [0,0,0,0,0,0|2,0,0]=2 36 B10R1.61 CC(=O)c1ccccc1Cl 1458a_100000185844_200000210301 [0,0,0,0,0,0|2,0,0]=2 37 B10R1.61 CC(=O)c1ccccc1F 1458a_100000188656_200000210301 [0,0,0,0,0,0|2,0,0]=2 38 B10R1.61 CC(=O)c1ccccc1I 1458a_100000187884_200000210301 [0,0,0,0,0,0|2,0,0]=2 39 B10R1.61 CC(=O)c1ccccc1O 1458a_100015234032_200000210301 [0,0,0,0,0,0|1,0,0]=1 40 B10R1.61 CC(=O)c1ccccc1O 271570a_203496583355_100000751169 [0,0,0,0,0,0|1,0,0]=1 41 B10R1.61 CC(=O)c1ccccc1[O-] 1458a_100009911694_200000210301 [0,0,0,0,0,0|1,0,1]=2 42 B10R1.61 CC(=O)c1cccnc1O 271570a_203496583355_100000753718 [0,0,0,0,0,0|2,0,0]=2 43 B10R1.61 CC(=O)c1ccncc1O 271570a_203496583355_100009993184 [0,0,0,0,0,0|2,0,0]=2 44 B10R1.61 CC(=O)c1cnccc1O 271570a_203496583355_100160469449 [0,0,0,0,0,0|2,0,0]=2 45 B10R1.61 CC(=O)c1ncccc1O 271570a_203496583355_100012348690 [0,0,0,0,0,0|2,0,0]=2 46 B10R1.61 CC(=O)c1nccnc1O 271570a_203496583355_100000099859 [0,0,0,0,0,0|3,0,0]=3 47 B10R1.61 CC(C)c1ccccc1O 271570a_203496583355_100011218076 [0,0,0,0,0,0|2,0,1]=3 48 B10R1.61 CC(C)c1cccnc1O 271570a_203496583355_200010382935 [0,0,0,0,0,0|3,0,1]=4 49 B10R1.61 CC(N)c1ccccc1O 271570a_203496583355_100000181357 [0,0,0,0,0,0|2,0,1]=3 50 B10R1.61 CC(N)c1ncccc1O 271570a_203496583355_100159271932 [0,0,0,0,0,0|3,0,1]=4 51 B10R1.61 CC(O)c1ccccc1O 271570a_203496583355_100000702211 [0,0,0,0,0,0|1,0,1]=2 52 B10R1.61 CC(O)c1cccnc1O 271570a_203496583355_100009865335 [0,0,0,0,0,0|2,0,1]=3 53 B10R1.61 CN(C)c1ccccc1Br 2230a_100020606079_200000210301 [0,0,0,0,0,0|4,0,0]=4 54 B10R1.61 CN(C)c1ccccc1Br 269982a_100020606079_200000210301 [0,0,0,0,0,0|4,0,0]=4 55 B10R1.61 CN(C)c1ccccc1Br 34a_100020606079_200000210301 [0,0,0,0,0,0|4,0,0]=4 56 B10R1.61 CN(C)c1ccccc1Cl 2230a_100000219374_200000210301 [0,0,0,0,0,0|4,0,0]=4 57 B10R1.61 CN(C)c1ccccc1Cl 269982a_100000219374_200000210301 [0,0,0,0,0,0|4,0,0]=4 58 B10R1.61 CN(C)c1ccccc1Cl 34a_100000219374_200000210301 [0,0,0,0,0,0|4,0,0]=4 59 B10R1.61 CN(C)c1ccccc1F 2230a_100000220357_200000210301 [0,0,0,0,0,0|4,0,0]=4 60 B10R1.61 CN(C)c1ccccc1F 269982a_100000220357_200000210301 [0,0,0,0,0,0|4,0,0]=4 61 B10R1.61 CN(C)c1ccccc1F 34a_100000220357_200000210301 [0,0,0,0,0,0|4,0,0]=4 62 B10R1.61 CN(C)c1ccccc1F 38a_100000220357_200000210301 [0,0,0,0,0,0|4,0,0]=4 63 B10R1.61 CN(C)c1ccccc1O 269982a_100000033821_200000210301 [0,0,0,0,0,0|3,0,0]=3 64 B10R1.61 CN(C)c1ccccc1O 271570a_203496583355_100011290883 [0,0,0,0,0,0|3,0,0]=3 65 B10R1.61 CN(C)c1ccncc1O 271570a_203496583355_100012355995 [0,0,0,0,0,0|4,0,0]=4 66 B10R1.61 CN(C)c1ncccc1O 271570a_203496583355_100011465059 [0,0,0,0,0,0|4,0,0]=4 67 B10R1.61 CN([13CH3])c1ccccc1Br 2230a_100020606079_200025704644 [0,0,0,0,0,0|4,0,0]=4 68 B10R1.61 CN([13CH3])c1ccccc1Br 269982a_100020606079_200025704644 [0,0,0,0,0,0|4,0,0]=4 69 B10R1.61 CN([13CH3])c1ccccc1Br 34a_100020606079_200025704644 [0,0,0,0,0,0|4,0,0]=4 70 B10R1.61 CN([13CH3])c1ccccc1Cl 2230a_100000219374_200025704644 [0,0,0,0,0,0|4,0,0]=4 71 B10R1.61 CN([13CH3])c1ccccc1Cl 269982a_100000219374_200025704644 [0,0,0,0,0,0|4,0,0]=4 72 B10R1.61 CN([13CH3])c1ccccc1Cl 34a_100000219374_200025704644 [0,0,0,0,0,0|4,0,0]=4 73 B10R1.61 CN([13CH3])c1ccccc1F 2230a_100000220357_200025704644 [0,0,0,0,0,0|4,0,0]=4 74 B10R1.61 CN([13CH3])c1ccccc1F 269982a_100000220357_200025704644 [0,0,0,0,0,0|4,0,0]=4 75 B10R1.61 CN([13CH3])c1ccccc1F 34a_100000220357_200025704644 [0,0,0,0,0,0|4,0,0]=4 76 B10R1.61 CN([13CH3])c1ccccc1F 38a_100000220357_200025704644 [0,0,0,0,0,0|4,0,0]=4 77 B10R1.61 CN([13CH3])c1ccccc1O 269982a_100000033821_200025704644 [0,0,0,0,0,0|3,0,0]=3 78 B10R1.61 CS(=O)c1ccccc1O 271570a_203496583355_100000734199 [0,0,0,0,0,0|2,0,0]=2 79 B10R1.61 C[C@H](O)c1ncccc1O 271570a_203496583355_100013325542 [0,0,0,0,0,0|2,0,1]=3 80 B10R1.61 Cc1ccccc1C(=O)[13CH3] 1458a_100000212026_200025704644 [0,0,0,0,0,0|2,0,0]=2 81 B10R1.61 Cc1ccccc1N(C)C 2230a_100000219699_200000210301 [0,0,0,0,0,0|4,0,0]=4 82 B10R1.61 Cc1ccccc1N(C)C 269982a_100000219699_200000210301 [0,0,0,0,0,0|4,0,0]=4 83 B10R1.61 Cc1ccccc1N(C)C 34a_100000219699_200000210301 [0,0,0,0,0,0|4,0,0]=4 84 B10R1.61 Cc1ccccc1N(C)[13CH3] 2230a_100000219699_200025704644 [0,0,0,0,0,0|4,0,0]=4 85 B10R1.61 Cc1ccccc1N(C)[13CH3] 269982a_100000219699_200025704644 [0,0,0,0,0,0|4,0,0]=4 86 B10R1.61 Cc1ccccc1N(C)[13CH3] 34a_100000219699_200025704644 [0,0,0,0,0,0|4,0,0]=4 87 B10R1.61 NC(=O)c1ccccc1O 271570a_203496583355_100000162227 [0,0,0,0,0,0|1,0,0]=1 88 B10R1.61 NC(=O)c1cccnc1O 271570a_203496583355_100000162199 [0,0,0,0,0,0|2,0,0]=2 89 B10R1.61 NC(=O)c1ccncc1O 271570a_203496583355_100010205435 [0,0,0,0,0,0|2,0,0]=2 90 B10R1.61 NC(=O)c1cnccc1O 271570a_203496583355_100000697804 [0,0,0,0,0,0|2,0,0]=2 91 B10R1.61 NC(=O)c1ncccc1O 271570a_203496583355_200012359670 [0,0,0,0,0,0|2,0,0]=2 92 B10R1.61 NC(=O)c1nccnc1O 271570a_203496583355_100000094861 [0,0,0,0,0,0|3,0,0]=3 93 B10R1.61 OB(O)c1ccccc1O 271570a_203496583355_100000693059 [0,0,0,0,0,0|1,0,1]=2 94 B10R1.61 OB(O)c1cccnc1O 271570a_203496583355_100009815992 [0,0,0,0,0,0|2,0,1]=3 95 B10R1.61 OB(O)c1ccncc1O 271570a_203496583355_200010176179 [0,0,0,0,0,0|2,0,1]=3 96 B10R1.61 Oc1ccccc1C(F)F 271570a_203496583355_100010169824 [0,0,0,0,0,0|2,0,1]=3 97 B10R1.61 Oc1cccnc1C(F)F 271570a_203496583355_100010079810 [0,0,0,0,0,0|3,0,1]=4 98 B10R1.61 Oc1ncccc1C(F)F 271570a_203496583355_100010136063 [0,0,0,0,0,0|3,0,1]=4 99 B10R1.61 [13CH3]C(=O)c1ccccc1Br 1458a_100000188424_200025704644 [0,0,0,0,0,0|2,0,0]=2 100 B10R1.61 [13CH3]C(=O)c1ccccc1Cl 1458a_100000185844_200025704644 [0,0,0,0,0,0|2,0,0]=2 101 B10R1.61 [13CH3]C(=O)c1ccccc1F 1458a_100000188656_200025704644 [0,0,0,0,0,0|2,0,0]=2 102 B10R1.61 [13CH3]C(=O)c1ccccc1I 1458a_100000187884_200025704644 [0,0,0,0,0,0|2,0,0]=2 103 B10R1.61 [13CH3]C(=O)c1ccccc1O 1458a_100015234032_200025704644 [0,0,0,0,0,0|1,0,0]=1 104 B10R1.61 [13CH3]C(=O)c1ccccc1[O-] 1458a_100009911694_200025704644 [0,0,0,0,0,0|1,0,1]=2 105 B9R1.6 C=C(C)c1ccccc1 271570a_100000694244_100000210277 [1,0,0,0,0,0|2,0,0]=3 106 B9R1.6 C=C(C)c1ccccn1 271570a_100000694244_100011216584 [1,0,0,0,0,0|3,0,0]=4 107 B9R1.6 C=C(C)c1cccnc1 271570a_100000694244_100000752921 [1,0,0,0,0,0|3,0,0]=4 108 B9R1.6 C=C(C)c1ccncc1 271570a_100000694244_100000035832 [1,0,0,0,0,0|3,0,0]=4 109 B9R1.6 CC(=O)c1ccccc1 1458a_100000185807_200000210301 [1,0,0,0,0,0|1,0,0]=2 110 B9R1.6 CN(C)c1ccccc1 2230a_100000210012_200000210301 [1,0,0,0,0,0|3,0,0]=4 111 B9R1.6 CN(C)c1ccccc1 269982a_100000210012_200000210301 [1,0,0,0,0,0|3,0,0]=4 112 B9R1.6 CN(C)c1ccccc1 34a_100000210012_200000210301 [1,0,0,0,0,0|3,0,0]=4 113 B9R1.6 CN([13CH3])c1ccccc1 2230a_100000210012_200025704644 [1,0,0,0,0,0|3,0,0]=4 114 B9R1.6 CN([13CH3])c1ccccc1 269982a_100000210012_200025704644 [1,0,0,0,0,0|3,0,0]=4 115 B9R1.6 CN([13CH3])c1ccccc1 34a_100000210012_200025704644 [1,0,0,0,0,0|3,0,0]=4 116 B9R1.6 [13CH3]C(=O)c1ccccc1 1458a_100000185807_200025704644 [1,0,0,0,0,0|1,0,0]=2 117 B9R1.15 C=Cc1c[nH]ccc1=O 271570a_100011290941_100009998708 [1,0,0,0,0,0|2,0,1]=4 118 B9R1.15 C=Cc1c[nH]ccc1=S 271570a_100011290941_200012280681 [1,0,0,0,0,0|2,1,0]=4 119 B9R1.15 C=Cc1ccc[nH]c1=O 271570a_100011290941_100000050042 [1,0,0,0,0,0|2,0,1]=4 120 B9R1.15 C=Cc1cccc[n+]1C 271570a_100011290941_100000212160 [1,0,0,0,0,0|3,0,0]=4 121 B9R1.15 C=Cc1cccc[n+]1[O-] 271570a_100011290941_200000042595 [1,0,0,0,0,0|2,0,1]=4 122 B9R1.15 C=Cc1ccccc1Br 271570a_100011290941_100000695589 [1,0,0,0,0,0|2,0,0]=3 123 B9R1.15 C=Cc1ccccc1C 271570a_100011290941_100000210755 [1,0,0,0,0,0|2,0,0]=3 124 B9R1.15 C=Cc1ccccc1Cl 271570a_100011290941_100000764095 [1,0,0,0,0,0|2,0,0]=3 125 B9R1.15 C=Cc1ccccc1F 271570a_100011290941_100011215700 [1,0,0,0,0,0|2,0,0]=3 126 B9R1.15 C=Cc1ccccc1N 271570a_100011290941_100000210017 [1,0,0,0,0,0|2,0,0]=3 127 B9R1.15 C=Cc1ccccc1O 271570a_100011290941_100000739446 [1,0,0,0,0,0|1,0,0]=2 128 B9R1.15 C=Cc1cccnc1Br 271570a_100011290941_100010202626 [1,0,0,0,0,0|3,0,0]=4 129 B9R1.15 C=Cc1cccnc1C 271570a_100011290941_100000751574 [1,0,0,0,0,0|3,0,0]=4 130 B9R1.15 C=Cc1cccnc1Cl 271570a_100011290941_100000036424 [1,0,0,0,0,0|3,0,0]=4 131 B9R1.15 C=Cc1cccnc1F 271570a_100011290941_100009816115 [1,0,0,0,0,0|3,0,0]=4 132 B9R1.15 C=Cc1cccnc1N 271570a_100011290941_100000045569 [1,0,0,0,0,0|3,0,0]=4 133 B9R1.15 C=Cc1ccncc1Br 271570a_100011290941_100000726257 [1,0,0,0,0,0|3,0,0]=4 134 B9R1.15 C=Cc1ccncc1C 271570a_100011290941_100015191297 [1,0,0,0,0,0|3,0,0]=4 135 B9R1.15 C=Cc1ccncc1Cl 271570a_100011290941_100000708259 [1,0,0,0,0,0|3,0,0]=4 136 B9R1.15 C=Cc1ccncc1F 271570a_100011290941_100000047030 [1,0,0,0,0,0|3,0,0]=4 137 B9R1.15 C=Cc1ccncc1N 271570a_100011290941_100009815883 [1,0,0,0,0,0|3,0,0]=4 138 B9R1.15 C=Cc1ccncc1O 271570a_100011290941_100009817591 [1,0,0,0,0,0|2,0,0]=3 139 B9R1.15 C=Cc1cnccc1Br 271570a_100011290941_100010138639 [1,0,0,0,0,0|3,0,0]=4 140 B9R1.15 C=Cc1cnccc1C 271570a_100011290941_100000761580 [1,0,0,0,0,0|3,0,0]=4 141 B9R1.15 C=Cc1cnccc1Cl 271570a_100011290941_100009995489 [1,0,0,0,0,0|3,0,0]=4 142 B9R1.15 C=Cc1cnccc1F 271570a_100011290941_100009820683 [1,0,0,0,0,0|3,0,0]=4 143 B9R1.15 C=Cc1cnccc1N 271570a_100011290941_100000047001 [1,0,0,0,0,0|3,0,0]=4 144 B9R1.15 C=Cc1cncnc1O 271570a_100011290941_100000751107 [1,0,0,0,0,0|3,0,0]=4 145 B9R1.15 C=Cc1ncccc1Br 271570a_100011290941_100000696092 [1,0,0,0,0,0|3,0,0]=4 146 B9R1.15 C=Cc1ncccc1C 271570a_100011290941_100000751373 [1,0,0,0,0,0|3,0,0]=4 147 B9R1.15 C=Cc1ncccc1Cl 271570a_100011290941_100011356963 [1,0,0,0,0,0|3,0,0]=4 148 B9R1.15 C=Cc1ncccc1F 271570a_100011290941_100000685392 [1,0,0,0,0,0|3,0,0]=4 149 B9R1.15 C=Cc1ncccc1N 271570a_100011290941_100000688686 [1,0,0,0,0,0|3,0,0]=4 150 B9R1.15 C=Cc1ncccc1O 271570a_100011290941_100000034122 [1,0,0,0,0,0|2,0,0]=3 151 B9R1.15 CCc1ccccc1O 271570a_203496583355_100011215823 [1,0,0,0,0,0|1,0,1]=3 152 B9R1.15 CCc1ccncc1O 271570a_203496583355_100009819861 [1,0,0,0,0,0|2,0,1]=4 153 B9R1.15 CCc1cnccc1O 271570a_203496583355_100025704421 [1,0,0,0,0,0|2,0,1]=4 154 B9R1.15 CCc1ncccc1O 271570a_203496583355_100009877225 [1,0,0,0,0,0|2,0,1]=4 155 B9R1.15 CNc1ccccc1Br 34a_100000210017_200000210301 [1,0,0,0,0,0|3,0,0]=4 156 B9R1.15 CNc1ccccc1C 34a_100015192222_200000210301 [1,0,0,0,0,0|3,0,0]=4 157 B9R1.15 CNc1ccccc1Cl 34a_100000185783_200000210301 [1,0,0,0,0,0|3,0,0]=4 158 B9R1.15 CNc1ccccc1F 34a_100000210422_200000210301 [1,0,0,0,0,0|3,0,0]=4 159 B9R1.15 CNc1ccccc1I 34a_100000210053_200000210301 [1,0,0,0,0,0|3,0,0]=4 160 B9R1.15 CNc1ccccc1O 271570a_203496583355_100020606079 [1,0,0,0,0,0|2,0,0]=3 161 B9R1.15 CNc1ccccc1O 34a_100000185747_200000210301 [1,0,0,0,0,0|2,0,0]=3 162 B9R1.15 CNc1cccnc1O 271570a_203496583355_200011806188 [1,0,0,0,0,0|3,0,0]=4 163 B9R1.15 CNc1ccncc1O 271570a_203496583355_100010069531 [1,0,0,0,0,0|3,0,0]=4 164 B9R1.15 CNc1ncccc1O 271570a_203496583355_100000700899 [1,0,0,0,0,0|3,0,0]=4 165 B9R1.15 COc1ccccc1Br 34a_100000181306_200000210301 [1,0,0,0,0,0|3,0,0]=4 166 B9R1.15 COc1ccccc1Br 7a_100000181306_200000210301 [1,0,0,0,0,0|3,0,0]=4 167 B9R1.15 COc1ccccc1C 34a_100000210338_200000210301 [1,0,0,0,0,0|3,0,0]=4 168 B9R1.15 COc1ccccc1C 7a_100000210338_200000210301 [1,0,0,0,0,0|3,0,0]=4 169 B9R1.15 COc1ccccc1Cl 34a_100000210172_200000210301 [1,0,0,0,0,0|3,0,0]=4 170 B9R1.15 COc1ccccc1Cl 7a_100000210172_200000210301 [1,0,0,0,0,0|3,0,0]=4 171 B9R1.15 COc1ccccc1F 34a_100000210171_200000210301 [1,0,0,0,0,0|3,0,0]=4 172 B9R1.15 COc1ccccc1F 7a_100000210171_200000210301 [1,0,0,0,0,0|3,0,0]=4 173 B9R1.15 COc1ccccc1I 34a_100000739446_200000210301 [1,0,0,0,0,0|3,0,0]=4 174 B9R1.15 COc1ccccc1I 7a_100000739446_200000210301 [1,0,0,0,0,0|3,0,0]=4 175 B9R1.15 COc1ccccc1N 34a_100000185747_200000210301 [1,0,0,0,0,0|3,0,0]=4 176 B9R1.15 COc1ccccc1N 7a_100000185747_200000210301 [1,0,0,0,0,0|3,0,0]=4 177 B9R1.15 COc1ccccc1O 271570a_203496583355_100000174000 [1,0,0,0,0,0|2,0,0]=3 178 B9R1.15 COc1cccnc1O 271570a_203496583355_100000690851 [1,0,0,0,0,0|3,0,0]=4 179 B9R1.15 COc1ccncc1O 271570a_203496583355_100011997281 [1,0,0,0,0,0|3,0,0]=4 180 B9R1.15 COc1cnccc1O 271570a_203496583355_100016988167 [1,0,0,0,0,0|3,0,0]=4 181 B9R1.15 COc1ncccc1O 271570a_203496583355_100000047025 [1,0,0,0,0,0|3,0,0]=4 182 B9R1.15 CSc1ccccc1Br 62a_100000695589_200000210301 [1,0,0,0,0,0|3,0,0]=4 183 B9R1.15 CSc1ccccc1Br 62a_200000210301_100000695589 [1,0,0,0,0,0|3,0,0]=4 184 B9R1.15 CSc1ccccc1C 62a_100000210755_200000210301 [1,0,0,0,0,0|3,0,0]=4 185 B9R1.15 CSc1ccccc1C 62a_200000210301_100000210755 [1,0,0,0,0,0|3,0,0]=4 186 B9R1.15 CSc1ccccc1Cl 62a_100000764095_200000210301 [1,0,0,0,0,0|3,0,0]=4 187 B9R1.15 CSc1ccccc1Cl 62a_200000210301_100000764095 [1,0,0,0,0,0|3,0,0]=4 188 B9R1.15 CSc1ccccc1F 62a_100011215700_200000210301 [1,0,0,0,0,0|3,0,0]=4 189 B9R1.15 CSc1ccccc1F 62a_200000210301_100011215700 [1,0,0,0,0,0|3,0,0]=4 190 B9R1.15 CSc1ccccc1N 62a_100000210017_200000210301 [1,0,0,0,0,0|3,0,0]=4 191 B9R1.15 CSc1ccccc1N 62a_200000210301_100000210017 [1,0,0,0,0,0|3,0,0]=4 192 B9R1.15 CSc1ccccc1O 271570a_203496583355_100011217816 [1,0,0,0,0,0|2,0,0]=3 193 B9R1.15 CSc1ccccc1O 62a_100000739446_200000210301 [1,0,0,0,0,0|2,0,0]=3 194 B9R1.15 CSc1ccccc1O 62a_200000210301_100000739446 [1,0,0,0,0,0|2,0,0]=3 195 B9R1.15 CSc1cccnc1O 62a_100000760158_200000210301 [1,0,0,0,0,0|3,0,0]=4 196 B9R1.15 CSc1cccnc1O 62a_200000210301_100000760158 [1,0,0,0,0,0|3,0,0]=4 197 B9R1.15 CSc1ccncc1O 62a_100009817591_200000210301 [1,0,0,0,0,0|3,0,0]=4 198 B9R1.15 CSc1ccncc1O 62a_200000210301_100009817591 [1,0,0,0,0,0|3,0,0]=4 199 B9R1.15 CSc1ncccc1O 271570a_203496583355_100011465278 [1,0,0,0,0,0|3,0,0]=4 200 B9R1.15 CSc1ncccc1O 62a_100000034122_200000210301 [1,0,0,0,0,0|3,0,0]=4 201 B9R1.15 CSc1ncccc1O 62a_200000210301_100000034122 [1,0,0,0,0,0|3,0,0]=4 202 B9R1.15 Cc1ccccc1N[13CH3] 34a_100015192222_200025704644 [1,0,0,0,0,0|3,0,0]=4 203 B9R1.15 Cc1ccccc1O[13CH3] 34a_100000210338_200025704644 [1,0,0,0,0,0|3,0,0]=4 204 B9R1.15 Cc1ccccc1O[13CH3] 7a_100000210338_200025704644 [1,0,0,0,0,0|3,0,0]=4 205 B9R1.15 Cc1ccccc1S[13CH3] 62a_100000210755_200025704644 [1,0,0,0,0,0|3,0,0]=4 206 B9R1.15 Cc1ccccc1S[13CH3] 62a_200025704644_100000210755 [1,0,0,0,0,0|3,0,0]=4 207 B9R1.15 N#Cc1ccccc1O 271570a_203496583355_100000188569 [1,0,0,0,0,0|1,0,1]=3 208 B9R1.15 N#Cc1cccnc1O 271570a_203496583355_100000211984 [1,0,0,0,0,0|2,0,1]=4 209 B9R1.15 N#Cc1ccncc1O 271570a_203496583355_100000684818 [1,0,0,0,0,0|2,0,1]=4 210 B9R1.15 N#Cc1cnccc1O 271570a_203496583355_100000687039 [1,0,0,0,0,0|2,0,1]=4 211 B9R1.15 N#Cc1ncccc1O 271570a_203496583355_100000685805 [1,0,0,0,0,0|2,0,1]=4 212 B9R1.15 NCc1ccccc1O 271570a_203496583355_100000689332 [1,0,0,0,0,0|1,0,1]=3 213 B9R1.15 NCc1cccnc1O 271570a_203496583355_100015189234 [1,0,0,0,0,0|2,0,1]=4 214 B9R1.15 NCc1ccncc1O 271570a_203496583355_100020640021 [1,0,0,0,0,0|2,0,1]=4 215 B9R1.15 NCc1ncccc1O 271570a_203496583355_100020591323 [1,0,0,0,0,0|2,0,1]=4 216 B9R1.15 NNc1ccccc1O 271570a_203496583355_100000241748 [1,0,0,0,0,0|2,0,0]=3 217 B9R1.15 NNc1ccncc1O 271570a_203496583355_100013404636 [1,0,0,0,0,0|3,0,0]=4 218 B9R1.15 NNc1ncccc1O 271570a_203496583355_100011464834 [1,0,0,0,0,0|3,0,0]=4 219 B9R1.15 O=Cc1ccccc1O 271570a_203496583355_100000211189 [1,0,0,0,0,0|0,0,0]=1 220 B9R1.15 O=Cc1cccnc1O 271570a_203496583355_100009816751 [1,0,0,0,0,0|1,0,0]=2 221 B9R1.15 O=Cc1ccncc1O 271570a_203496583355_100011934409 [1,0,0,0,0,0|1,0,0]=2 222 B9R1.15 O=Cc1cnccc1O 271570a_203496583355_100000050567 [1,0,0,0,0,0|1,0,0]=2 223 B9R1.15 O=Cc1ncccc1O 271570a_203496583355_100011934733 [1,0,0,0,0,0|1,0,0]=2 224 B9R1.15 OCc1ccccc1O 271570a_203496583355_100000187465 [1,0,0,0,0,0|0,0,1]=2 225 B9R1.15 OCc1cccnc1O 271570a_203496583355_100000748726 [1,0,0,0,0,0|1,0,1]=3 226 B9R1.15 OCc1ccncc1O 271570a_203496583355_100009873359 [1,0,0,0,0,0|1,0,1]=3 227 B9R1.15 OCc1cnccc1O 271570a_203496583355_100000117392 [1,0,0,0,0,0|1,0,1]=3 228 B9R1.15 OCc1ncccc1O 271570a_203496583355_100011996772 [1,0,0,0,0,0|1,0,1]=3 229 B9R1.15 OCc1nccnc1O 271570a_203496583355_100000057004 [1,0,0,0,0,0|2,0,1]=4 230 B9R1.15 [13CH3]Nc1ccccc1Br 34a_100000210017_200025704644 [1,0,0,0,0,0|3,0,0]=4 231 B9R1.15 [13CH3]Nc1ccccc1Cl 34a_100000185783_200025704644 [1,0,0,0,0,0|3,0,0]=4 232 B9R1.15 [13CH3]Nc1ccccc1F 34a_100000210422_200025704644 [1,0,0,0,0,0|3,0,0]=4 233 B9R1.15 [13CH3]Nc1ccccc1I 34a_100000210053_200025704644 [1,0,0,0,0,0|3,0,0]=4 234 B9R1.15 [13CH3]Nc1ccccc1O 34a_100000185747_200025704644 [1,0,0,0,0,0|2,0,0]=3 235 B9R1.15 [13CH3]Oc1ccccc1Br 34a_100000181306_200025704644 [1,0,0,0,0,0|3,0,0]=4 236 B9R1.15 [13CH3]Oc1ccccc1Br 7a_100000181306_200025704644 [1,0,0,0,0,0|3,0,0]=4 237 B9R1.15 [13CH3]Oc1ccccc1Cl 34a_100000210172_200025704644 [1,0,0,0,0,0|3,0,0]=4 238 B9R1.15 [13CH3]Oc1ccccc1Cl 7a_100000210172_200025704644 [1,0,0,0,0,0|3,0,0]=4 239 B9R1.15 [13CH3]Oc1ccccc1F 34a_100000210171_200025704644 [1,0,0,0,0,0|3,0,0]=4 240 B9R1.15 [13CH3]Oc1ccccc1F 7a_100000210171_200025704644 [1,0,0,0,0,0|3,0,0]=4 241 B9R1.15 [13CH3]Oc1ccccc1I 34a_100000739446_200025704644 [1,0,0,0,0,0|3,0,0]=4 242 B9R1.15 [13CH3]Oc1ccccc1I 7a_100000739446_200025704644 [1,0,0,0,0,0|3,0,0]=4 243 B9R1.15 [13CH3]Oc1ccccc1N 34a_100000185747_200025704644 [1,0,0,0,0,0|3,0,0]=4 244 B9R1.15 [13CH3]Oc1ccccc1N 7a_100000185747_200025704644 [1,0,0,0,0,0|3,0,0]=4 245 B9R1.15 [13CH3]Sc1ccccc1Br 62a_100000695589_200025704644 [1,0,0,0,0,0|3,0,0]=4 246 B9R1.15 [13CH3]Sc1ccccc1Br 62a_200025704644_100000695589 [1,0,0,0,0,0|3,0,0]=4 247 B9R1.15 [13CH3]Sc1ccccc1Cl 62a_100000764095_200025704644 [1,0,0,0,0,0|3,0,0]=4 248 B9R1.15 [13CH3]Sc1ccccc1Cl 62a_200025704644_100000764095 [1,0,0,0,0,0|3,0,0]=4 249 B9R1.15 [13CH3]Sc1ccccc1F 62a_100011215700_200025704644 [1,0,0,0,0,0|3,0,0]=4 250 B9R1.15 [13CH3]Sc1ccccc1F 62a_200025704644_100011215700 [1,0,0,0,0,0|3,0,0]=4 251 B9R1.15 [13CH3]Sc1ccccc1N 62a_100000210017_200025704644 [1,0,0,0,0,0|3,0,0]=4 252 B9R1.15 [13CH3]Sc1ccccc1N 62a_200025704644_100000210017 [1,0,0,0,0,0|3,0,0]=4 253 B9R1.15 [13CH3]Sc1ccccc1O 62a_100000739446_200025704644 [1,0,0,0,0,0|2,0,0]=3 254 B9R1.15 [13CH3]Sc1ccccc1O 62a_200025704644_100000739446 [1,0,0,0,0,0|2,0,0]=3 255 B9R1.15 [13CH3]Sc1cccnc1O 62a_100000760158_200025704644 [1,0,0,0,0,0|3,0,0]=4 256 B9R1.15 [13CH3]Sc1cccnc1O 62a_200025704644_100000760158 [1,0,0,0,0,0|3,0,0]=4 257 B9R1.15 [13CH3]Sc1ccncc1O 62a_100009817591_200025704644 [1,0,0,0,0,0|3,0,0]=4 258 B9R1.15 [13CH3]Sc1ccncc1O 62a_200025704644_100009817591 [1,0,0,0,0,0|3,0,0]=4 259 B9R1.15 [13CH3]Sc1ncccc1O 62a_100000034122_200025704644 [1,0,0,0,0,0|3,0,0]=4 260 B9R1.15 [13CH3]Sc1ncccc1O 62a_200025704644_100000034122 [1,0,0,0,0,0|3,0,0]=4 261 B11R1.53 C#Cc1ccccc1C(=O)C 1458a_100011243808_200000210301 [0,1,0,0,0,0|2,0,0]=3 262 B11R1.53 C#Cc1ccccc1C(=O)[13CH3] 1458a_100011243808_200025704644 [0,1,0,0,0,0|2,0,0]=3 263 B11R1.53 C=C(C)c1ccccc1C#N 271570a_100000694244_100000188569 [0,1,0,0,0,0|3,0,0]=4 264 B11R1.53 C=C(C)c1ccccc1C=O 271570a_100000694244_100000211189 [0,1,0,0,0,0|2,0,1]=4 265 B11R1.53 C=C(C)c1ccccc1CC 271570a_100000694244_100011215823 [0,1,0,0,0,0|3,0,0]=4 266 B11R1.53 C=C(C)c1ccccc1CN 271570a_100000694244_100000689332 [0,1,0,0,0,0|3,0,0]=4 267 B11R1.53 C=C(C)c1ccccc1CO 271570a_100000694244_100000187465 [0,1,0,0,0,0|2,0,0]=3 268 B11R1.53 C=C(C)c1ccccc1NC 271570a_100000694244_100020606079 [0,1,0,0,0,0|3,0,0]=4 269 B11R1.53 C=C(C)c1ccccc1NC 34a_100000037685_200000210301 [0,1,0,0,0,0|3,0,0]=4 270 B11R1.53 C=C(C)c1ccccc1NN 271570a_100000694244_100000241748 [0,1,0,0,0,0|3,0,0]=4 271 B11R1.53 C=C(C)c1ccccc1N[13CH3] 34a_100000037685_200025704644 [0,1,0,0,0,0|3,0,0]=4 272 B11R1.53 C=C(C)c1ccccc1OC 271570a_100000694244_100000174000 [0,1,0,0,0,0|2,0,0]=3 273 B11R1.53 C=C(C)c1ccccc1SC 271570a_100000694244_100011217816 [0,1,0,0,0,0|2,1,0]=4 274 B11R1.53 C=C(C)c1cccnc1CO 271570a_100000694244_100011996772 [0,1,0,0,0,0|3,0,0]=4 275 B11R1.53 C=C(C)c1cccnc1OC 271570a_100000694244_100000047025 [0,1,0,0,0,0|3,0,0]=4 276 B11R1.53 C=C(C)c1ccncc1CO 271570a_100000694244_100000117392 [0,1,0,0,0,0|3,0,0]=4 277 B11R1.53 C=C(C)c1ccncc1OC 271570a_100000694244_100016988167 [0,1,0,0,0,0|3,0,0]=4 278 B11R1.53 C=C(C)c1cnccc1CO 271570a_100000694244_100009873359 [0,1,0,0,0,0|3,0,0]=4 279 B11R1.53 C=C(C)c1cnccc1OC 271570a_100000694244_100011997281 [0,1,0,0,0,0|3,0,0]=4 280 B11R1.53 C=C(C)c1ncccc1CO 271570a_100000694244_100000748726 [0,1,0,0,0,0|3,0,0]=4 281 B11R1.53 C=C(C)c1ncccc1OC 271570a_100000694244_100000690851 [0,1,0,0,0,0|3,0,0]=4 282 B11R1.53 C=Cc1ccccc1B(O)O 271570a_100011290941_100000693059 [0,1,0,0,0,0|2,0,1]=4 283 B11R1.53 C=Cc1ccccc1C(=O)C 1458a_100011830265_200000210301 [0,1,0,0,0,0|2,0,0]=3 284 B11R1.53 C=Cc1ccccc1C(=O)C 271570a_100011290941_100000751169 [0,1,0,0,0,0|2,0,0]=3 285 B11R1.53 C=Cc1ccccc1C(=O)N 271570a_100011290941_100000162227 [0,1,0,0,0,0|2,0,0]=3 286 B11R1.53 C=Cc1ccccc1C(=O)[13CH3] 1458a_100011830265_200025704644 [0,1,0,0,0,0|2,0,0]=3 287 B11R1.53 C=Cc1ccccc1C(C)O 271570a_100011290941_100000702211 [0,1,0,0,0,0|2,0,1]=4 288 B11R1.53 C=Cc1ccccc1S(=O)C 271570a_100011290941_100000734199 [0,1,0,0,0,0|3,0,0]=4 289 B11R1.53 C=Cc1cccnc1C(=O)C 271570a_100011290941_100012348690 [0,1,0,0,0,0|3,0,0]=4 290 B11R1.53 C=Cc1cccnc1C(=O)N 271570a_100011290941_200012359670 [0,1,0,0,0,0|3,0,0]=4 291 B11R1.53 C=Cc1ccncc1C(=O)C 271570a_100011290941_100160469449 [0,1,0,0,0,0|3,0,0]=4 292 B11R1.53 C=Cc1ccncc1C(=O)N 271570a_100011290941_100000697804 [0,1,0,0,0,0|3,0,0]=4 293 B11R1.53 C=Cc1cnccc1C(=O)C 271570a_100011290941_100009993184 [0,1,0,0,0,0|3,0,0]=4 294 B11R1.53 C=Cc1cnccc1C(=O)N 271570a_100011290941_100010205435 [0,1,0,0,0,0|3,0,0]=4 295 B11R1.53 C=Cc1ncccc1C(=O)C 271570a_100011290941_100000753718 [0,1,0,0,0,0|3,0,0]=4 296 B11R1.53 C=Cc1ncccc1C(=O)N 271570a_100011290941_100000162199 [0,1,0,0,0,0|3,0,0]=4 297 B11R1.53 CC(=O)c1ccccc1C#N 1458a_100000742908_200000210301 [0,1,0,0,0,0|2,0,0]=3 298 B11R1.53 CC(=O)c1ccccc1CO 1458a_100011301526_200000210301 [0,1,0,0,0,0|1,0,0]=2 299 B11R1.53 CC(=O)c1ccccc1I=O 1458a_100000032414_200000210301 [0,1,0,0,0,0|1,0,1]=3 300 B11R1.53 CC(=O)c1ccccc1S[13CH3] 62a_100000751169_200025704644 [0,1,0,0,0,0|1,1,0]=3 301 B11R1.53 CC(=O)c1cccnc1S[13CH3] 62a_100000753718_200025704644 [0,1,0,0,0,0|2,1,0]=4 302 B11R1.53 CC(=O)c1cccnc1S[13CH3] 62a_200025704644_100000753718 [0,1,0,0,0,0|2,1,0]=4 303 B11R1.53 CC(=O)c1ccncc1O[13CH3] 7a_100009872882_200025704644 [0,1,0,0,0,0|2,0,0]=3 304 B11R1.53 CC(=O)c1ccncc1S[13CH3] 62a_100009993184_200025704644 [0,1,0,0,0,0|2,1,0]=4 305 B11R1.53 CC(=O)c1ccncc1S[13CH3] 62a_200025704644_100009993184 [0,1,0,0,0,0|2,1,0]=4 306 B11R1.53 CC(=O)c1cnccc1S[13CH3] 62a_100160469449_200025704644 [0,1,0,0,0,0|2,1,0]=4 307 B11R1.53 CC(=O)c1cnccc1S[13CH3] 62a_200025704644_100160469449 [0,1,0,0,0,0|2,1,0]=4 308 B11R1.53 CC(=O)c1ncccc1O[13CH3] 34a_100000087166_200025704644 [0,1,0,0,0,0|2,0,0]=3 309 B11R1.53 CC(=O)c1ncccc1O[13CH3] 7a_100000087166_200025704644 [0,1,0,0,0,0|2,0,0]=3 310 B11R1.53 CC(=O)c1ncccc1S[13CH3] 62a_100012348690_200025704644 [0,1,0,0,0,0|2,1,0]=4 311 B11R1.53 CC(=O)c1ncccc1S[13CH3] 62a_200025704644_100012348690 [0,1,0,0,0,0|2,1,0]=4 312 B11R1.53 CC(C)c1ccccc1O[13CH3] 34a_100000211617_200025704644 [0,1,0,0,0,0|2,0,1]=4 313 B11R1.53 CC(C)c1ccccc1O[13CH3] 7a_100000211617_200025704644 [0,1,0,0,0,0|2,0,1]=4 314 B11R1.53 CC(O)c1ccccc1N[13CH3] 2230a_100011405641_200025704644 [0,1,0,0,0,0|2,0,1]=4 315 B11R1.53 CC(O)c1ccccc1O[13CH3] 34a_200011232679_200025704644 [0,1,0,0,0,0|1,0,1]=3 316 B11R1.53 CC(O)c1ccccc1O[13CH3] 7a_200011232679_200025704644 [0,1,0,0,0,0|1,0,1]=3 317 B11R1.53 CC(O)c1ccccc1S[13CH3] 62a_100000702211_200025704644 [0,1,0,0,0,0|1,1,1]=4 318 B11R1.53 CC(O)c1ccccc1S[13CH3] 62a_200025704644_100000702211 [0,1,0,0,0,0|1,1,1]=4 319 B11R1.53 CCc1ccccc1C(=O)C 1458a_100000689120_200000210301 [0,1,0,0,0,0|2,0,0]=3 320 B11R1.53 CCc1ccccc1C(=O)[13CH3] 1458a_100000689120_200025704644 [0,1,0,0,0,0|2,0,0]=3 321 B11R1.53 CNc1ccccc1C(=O)N 34a_100000185089_200000210301 [0,1,0,0,0,0|2,0,0]=3 322 B11R1.53 CNc1ccccc1C(C)O 2230a_100011405641_200000210301 [0,1,0,0,0,0|2,0,1]=4 323 B11R1.53 CNc1cccnc1C(=O)N 27a_100102657272_200012359670 [0,1,0,0,0,0|3,0,0]=4 324 B11R1.53 CNc1ccncc1C(=O)C 27a_100102657272_100160469449 [0,1,0,0,0,0|3,0,0]=4 325 B11R1.53 CNc1ccncc1C(=O)N 27a_100102657272_100000697804 [0,1,0,0,0,0|3,0,0]=4 326 B11R1.53 CNc1ncccc1C(=O)C 27a_100102657272_100009816689 [0,1,0,0,0,0|3,0,0]=4 327 B11R1.53 CNc1ncccc1C(=O)N 27a_100102657272_100000162199 [0,1,0,0,0,0|3,0,0]=4 328 B11R1.53 COc1ccccc1C(=O)C 1458a_100000185835_200000210301 [0,1,0,0,0,0|1,0,0]=2 329 B11R1.53 COc1ccccc1C(=O)N 34a_100000192804_200000210301 [0,1,0,0,0,0|1,0,0]=2 330 B11R1.53 COc1ccccc1C(=O)N 7a_100000192804_200000210301 [0,1,0,0,0,0|1,0,0]=2 331 B11R1.53 COc1ccccc1C(=O)[13CH3] 1458a_100000185835_200025704644 [0,1,0,0,0,0|1,0,0]=2 332 B11R1.53 COc1ccccc1C(=O)[O-] 7a_100015234032_200000210301 [0,1,0,0,0,0|0,0,1]=2 333 B11R1.53 COc1ccccc1C(=S)N 7a_100000745089_200000210301 [0,1,0,0,0,0|1,1,0]=3 334 B11R1.53 COc1ccccc1C(C)C 34a_100000211617_200000210301 [0,1,0,0,0,0|2,0,1]=4 335 B11R1.53 COc1ccccc1C(C)C 7a_100000211617_200000210301 [0,1,0,0,0,0|2,0,1]=4 336 B11R1.53 COc1ccccc1C(C)O 34a_200011232679_200000210301 [0,1,0,0,0,0|1,0,1]=3 337 B11R1.53 COc1ccccc1C(C)O 7a_200011232679_200000210301 [0,1,0,0,0,0|1,0,1]=3 338 B11R1.53 COc1ccccc1N(C)C 2230a_100000219746_200000210301 [0,1,0,0,0,0|3,0,0]=4 339 B11R1.53 COc1ccccc1N(C)C 269982a_100000219746_200000210301 [0,1,0,0,0,0|3,0,0]=4 340 B11R1.53 COc1ccccc1N(C)C 34a_100000219746_200000210301 [0,1,0,0,0,0|3,0,0]=4 341 B11R1.53 COc1ccccc1N(C)[13CH3] 2230a_100000219746_200025704644 [0,1,0,0,0,0|3,0,0]=4 342 B11R1.53 COc1ccccc1N(C)[13CH3] 269982a_100000219746_200025704644 [0,1,0,0,0,0|3,0,0]=4 343 B11R1.53 COc1ccccc1N(C)[13CH3] 34a_100000219746_200025704644 [0,1,0,0,0,0|3,0,0]=4 344 B11R1.53 COc1ccccc1[C@@H](C)N 34a_100025703389_200000210301 [0,1,0,0,0,0|2,0,1]=4 345 B11R1.53 COc1ccccc1[N+](=O)[O-] 34a_100000186319_200000210301 [0,1,0,0,0,0|1,0,1]=3 346 B11R1.53 COc1ccccc1[N+](=O)[O-] 7a_100000186319_200000210301 [0,1,0,0,0,0|1,0,1]=3 347 B11R1.53 COc1cccnc1C(=O)C 34a_100000087166_200000210301 [0,1,0,0,0,0|2,0,0]=3 348 B11R1.53 COc1cccnc1C(=O)C 7a_100000087166_200000210301 [0,1,0,0,0,0|2,0,0]=3 349 B11R1.53 COc1cccnc1C(=O)N 34a_200011215183_200000210301 [0,1,0,0,0,0|2,0,0]=3 350 B11R1.53 COc1cccnc1C(=O)N 7a_200011215183_200000210301 [0,1,0,0,0,0|2,0,0]=3 351 B11R1.53 COc1cccnc1[N+](=O)[O-] 7a_100000183951_200000210301 [0,1,0,0,0,0|2,0,1]=4 352 B11R1.53 COc1ccncc1C(=O)N 34a_200011998761_200000210301 [0,1,0,0,0,0|2,0,0]=3 353 B11R1.53 COc1cnccc1C(=O)C 7a_100009872882_200000210301 [0,1,0,0,0,0|2,0,0]=3 354 B11R1.53 COc1cnccc1C(=O)N 7a_100012022987_200000210301 [0,1,0,0,0,0|2,0,0]=3 355 B11R1.53 COc1nccnc1C(=O)N 34a_100011830332_200000210301 [0,1,0,0,0,0|3,0,0]=4 356 B11R1.53 CS(=O)c1ccccc1S[13CH3] 62a_100000734199_200025704644 [0,1,0,0,0,0|2,1,0]=4 357 B11R1.53 CSc1ccccc1B(O)O 62a_100000693059_200000210301 [0,1,0,0,0,0|1,1,1]=4 358 B11R1.53 CSc1ccccc1B(O)O 62a_200000210301_100000693059 [0,1,0,0,0,0|1,1,1]=4 359 B11R1.53 CSc1ccccc1C(=O)C 1458a_100000183967_200000210301 [0,1,0,0,0,0|1,1,0]=3 360 B11R1.53 CSc1ccccc1C(=O)C 62a_100000751169_200000210301 [0,1,0,0,0,0|1,1,0]=3 361 B11R1.53 CSc1ccccc1C(=O)N 62a_100000162227_200000210301 [0,1,0,0,0,0|1,1,0]=3 362 B11R1.53 CSc1ccccc1C(=O)N 62a_200000210301_100000162227 [0,1,0,0,0,0|1,1,0]=3 363 B11R1.53 CSc1ccccc1C(=O)O 62a_200000210301_100000734275 [0,1,0,0,0,0|0,1,0]=2 364 B11R1.53 CSc1ccccc1C(=O)O 62a_202125556159_200000210301 [0,1,0,0,0,0|0,1,0]=2 365 B11R1.53 CSc1ccccc1C(=O)[13CH3] 1458a_100000183967_200025704644 [0,1,0,0,0,0|1,1,0]=3 366 B11R1.53 CSc1ccccc1C(C)O 62a_100000702211_200000210301 [0,1,0,0,0,0|1,1,1]=4 367 B11R1.53 CSc1ccccc1C(C)O 62a_200000210301_100000702211 [0,1,0,0,0,0|1,1,1]=4 368 B11R1.53 CSc1ccccc1S(=O)C 62a_100000734199_200000210301 [0,1,0,0,0,0|2,1,0]=4 369 B11R1.53 CSc1cccnc1C(=O)C 62a_100012348690_200000210301 [0,1,0,0,0,0|2,1,0]=4 370 B11R1.53 CSc1cccnc1C(=O)C 62a_200000210301_100012348690 [0,1,0,0,0,0|2,1,0]=4 371 B11R1.53 CSc1cccnc1C(=O)N 62a_200000210301_200012359670 [0,1,0,0,0,0|2,1,0]=4 372 B11R1.53 CSc1cccnc1C(=O)N 62a_200012359670_200000210301 [0,1,0,0,0,0|2,1,0]=4 373 B11R1.53 CSc1ccncc1C(=O)C 62a_100160469449_200000210301 [0,1,0,0,0,0|2,1,0]=4 374 B11R1.53 CSc1ccncc1C(=O)C 62a_200000210301_100160469449 [0,1,0,0,0,0|2,1,0]=4 375 B11R1.53 CSc1ccncc1C(=O)N 62a_100000697804_200000210301 [0,1,0,0,0,0|2,1,0]=4 376 B11R1.53 CSc1ccncc1C(=O)N 62a_200000210301_100000697804 [0,1,0,0,0,0|2,1,0]=4 377 B11R1.53 CSc1cnccc1C(=O)C 62a_100009993184_200000210301 [0,1,0,0,0,0|2,1,0]=4 378 B11R1.53 CSc1cnccc1C(=O)C 62a_200000210301_100009993184 [0,1,0,0,0,0|2,1,0]=4 379 B11R1.53 CSc1cnccc1C(=O)N 62a_100010205435_200000210301 [0,1,0,0,0,0|2,1,0]=4 380 B11R1.53 CSc1cnccc1C(=O)N 62a_200000210301_100010205435 [0,1,0,0,0,0|2,1,0]=4 381 B11R1.53 CSc1ncccc1C(=O)C 62a_100000753718_200000210301 [0,1,0,0,0,0|2,1,0]=4 382 B11R1.53 CSc1ncccc1C(=O)C 62a_200000210301_100000753718 [0,1,0,0,0,0|2,1,0]=4 383 B11R1.53 CSc1ncccc1C(=O)N 62a_100000162199_200000210301 [0,1,0,0,0,0|2,1,0]=4 384 B11R1.53 CSc1ncccc1C(=O)N 62a_200000210301_100000162199 [0,1,0,0,0,0|2,1,0]=4 385 B11R1.53 C[C@@H](N)c1ccccc1O[13CH3] 34a_100025703389_200025704644 [0,1,0,0,0,0|2,0,1]=4 386 B11R1.53 [13CH3]C(=O)c1ccccc1C#N 1458a_100000742908_200025704644 [0,1,0,0,0,0|2,0,0]=3 387 B11R1.53 [13CH3]C(=O)c1ccccc1CO 1458a_100011301526_200025704644 [0,1,0,0,0,0|1,0,0]=2 388 B11R1.53 [13CH3]C(=O)c1ccccc1I=O 1458a_100000032414_200025704644 [0,1,0,0,0,0|1,0,1]=3 389 B11R1.53 [13CH3]Nc1ccccc1C(=O)N 34a_100000185089_200025704644 [0,1,0,0,0,0|2,0,0]=3 390 B11R1.53 [13CH3]Oc1ccccc1C(=O)N 34a_100000192804_200025704644 [0,1,0,0,0,0|1,0,0]=2 391 B11R1.53 [13CH3]Oc1ccccc1C(=O)N 7a_100000192804_200025704644 [0,1,0,0,0,0|1,0,0]=2 392 B11R1.53 [13CH3]Oc1ccccc1C(=O)[O-] 7a_100015234032_200025704644 [0,1,0,0,0,0|0,0,1]=2 393 B11R1.53 [13CH3]Oc1ccccc1C(=S)N 7a_100000745089_200025704644 [0,1,0,0,0,0|1,1,0]=3 394 B11R1.53 [13CH3]Oc1ccccc1[N+](=O)[O-] 34a_100000186319_200025704644 [0,1,0,0,0,0|1,0,1]=3 395 B11R1.53 [13CH3]Oc1ccccc1[N+](=O)[O-] 7a_100000186319_200025704644 [0,1,0,0,0,0|1,0,1]=3 396 B11R1.53 [13CH3]Oc1cccnc1C(=O)N 34a_200011215183_200025704644 [0,1,0,0,0,0|2,0,0]=3 397 B11R1.53 [13CH3]Oc1cccnc1C(=O)N 7a_200011215183_200025704644 [0,1,0,0,0,0|2,0,0]=3 398 B11R1.53 [13CH3]Oc1cccnc1[N+](=O)[O-] 7a_100000183951_200025704644 [0,1,0,0,0,0|2,0,1]=4 399 B11R1.53 [13CH3]Oc1ccncc1C(=O)N 34a_200011998761_200025704644 [0,1,0,0,0,0|2,0,0]=3 400 B11R1.53 [13CH3]Oc1cnccc1C(=O)N 7a_100012022987_200025704644 [0,1,0,0,0,0|2,0,0]=3 401 B11R1.53 [13CH3]Oc1nccnc1C(=O)N 34a_100011830332_200025704644 [0,1,0,0,0,0|3,0,0]=4 402 B11R1.53 [13CH3]Sc1ccccc1B(O)O 62a_100000693059_200025704644 [0,1,0,0,0,0|1,1,1]=4 403 B11R1.53 [13CH3]Sc1ccccc1B(O)O 62a_200025704644_100000693059 [0,1,0,0,0,0|1,1,1]=4 404 B11R1.53 [13CH3]Sc1ccccc1C(=O)N 62a_100000162227_200025704644 [0,1,0,0,0,0|1,1,0]=3 405 B11R1.53 [13CH3]Sc1ccccc1C(=O)N 62a_200025704644_100000162227 [0,1,0,0,0,0|1,1,0]=3 406 B11R1.53 [13CH3]Sc1ccccc1C(=O)O 62a_200025704644_100000734275 [0,1,0,0,0,0|0,1,0]=2 407 B11R1.53 [13CH3]Sc1ccccc1C(=O)O 62a_202125556159_200025704644 [0,1,0,0,0,0|0,1,0]=2 408 B11R1.53 [13CH3]Sc1cccnc1C(=O)N 62a_200012359670_200025704644 [0,1,0,0,0,0|2,1,0]=4 409 B11R1.53 [13CH3]Sc1cccnc1C(=O)N 62a_200025704644_200012359670 [0,1,0,0,0,0|2,1,0]=4 410 B11R1.53 [13CH3]Sc1ccncc1C(=O)N 62a_100000697804_200025704644 [0,1,0,0,0,0|2,1,0]=4 411 B11R1.53 [13CH3]Sc1ccncc1C(=O)N 62a_200025704644_100000697804 [0,1,0,0,0,0|2,1,0]=4 412 B11R1.53 [13CH3]Sc1cnccc1C(=O)N 62a_100010205435_200025704644 [0,1,0,0,0,0|2,1,0]=4 413 B11R1.53 [13CH3]Sc1cnccc1C(=O)N 62a_200025704644_100010205435 [0,1,0,0,0,0|2,1,0]=4 414 B11R1.53 [13CH3]Sc1ncccc1C(=O)N 62a_100000162199_200025704644 [0,1,0,0,0,0|2,1,0]=4 415 B11R1.53 [13CH3]Sc1ncccc1C(=O)N 62a_200025704644_100000162199 [0,1,0,0,0,0|2,1,0]=4 416 B11R1.87 CC(C)(C)c1ccccc1O 271570a_203496583355_100012339570 [0,1,0,0,0,0|2,0,1]=4 417 B11R1.87 CC(C)(N)c1ccccc1O 271570a_203496583355_100020606264 [0,1,0,0,0,0|2,0,1]=4 418 B11R1.87 CC(C)(O)c1ccccc1O 271570a_203496583355_100011346021 [0,1,0,0,0,0|1,0,1]=3 419 B11R1.87 CC(C)(O)c1cccnc1O 271570a_203496583355_100010080783 [0,1,0,0,0,0|2,0,1]=4 420 B11R1.87 CC(C)(O)c1ncccc1O 271570a_203496583355_200010080787 [0,1,0,0,0,0|2,0,1]=4 421 B11R1.87 CC(F)(F)c1ccccc1O 271570a_203496583355_100010220483 [0,1,0,0,0,0|2,0,1]=4 422 B11R1.87 CS(=O)(=O)c1ccccc1O 271570a_203496583355_100000751929 [0,1,0,0,0,0|1,0,1]=3 423 B11R1.87 CS(=O)(=O)c1ccncc1O 271570a_203496583355_200010191168 [0,1,0,0,0,0|2,0,1]=4 424 B11R1.87 CS(=O)(=O)c1ncccc1O 271570a_203496583355_100009830116 [0,1,0,0,0,0|2,0,1]=4 425 B11R1.87 NS(=O)(=O)c1ccccc1O 271570a_203496583355_100000735520 [0,1,0,0,0,0|1,0,1]=3 426 B11R1.87 NS(=O)(=O)c1cccnc1O 271570a_203496583355_100000740416 [0,1,0,0,0,0|2,0,1]=4 427 B11R1.87 NS(=O)(=O)c1cnccc1O 271570a_203496583355_100011216116 [0,1,0,0,0,0|2,0,1]=4 428 B11R1.87 Oc1ccccc1C(F)(F)F 271570a_203496583355_100000750027 [0,1,0,0,0,0|2,0,1]=4 429 B11R1.156 C=C(C)c1c(cccc1Br)Br 271570a_100000694244_100009994525 [0,1,0,0,0,0|3,0,0]=4 430 B11R1.156 C=C(C)c1c(cccc1Br)Cl 271570a_100000694244_100010214488 [0,1,0,0,0,0|3,0,0]=4 431 B11R1.156 C=C(C)c1c(cccc1Br)F 271570a_100000694244_100011219512 [0,1,0,0,0,0|3,0,0]=4 432 B11R1.156 C=C(C)c1c(cccc1Br)N 271570a_100000694244_100020590159 [0,1,0,0,0,0|3,0,0]=4 433 B11R1.156 C=C(C)c1c(cccc1Br)O 271570a_100000694244_100010187912 [0,1,0,0,0,0|2,0,0]=3 434 B11R1.156 C=C(C)c1c(cccc1C)C 271570a_100000694244_100000033847 [0,1,0,0,0,0|3,0,0]=4 435 B11R1.156 C=C(C)c1c(cccc1Cl)C 271570a_100000694244_100000043165 [0,1,0,0,0,0|3,0,0]=4 436 B11R1.156 C=C(C)c1c(cccc1Cl)Cl 271570a_100000694244_100000034237 [0,1,0,0,0,0|3,0,0]=4 437 B11R1.156 C=C(C)c1c(cccc1Cl)F 271570a_100000694244_100000050007 [0,1,0,0,0,0|3,0,0]=4 438 B11R1.156 C=C(C)c1c(cccc1Cl)N 271570a_100000694244_100000049713 [0,1,0,0,0,0|3,0,0]=4 439 B11R1.156 C=C(C)c1c(cccc1Cl)O 271570a_100000694244_100000050174 [0,1,0,0,0,0|2,0,0]=3 440 B11R1.156 C=C(C)c1c(cccc1F)C 271570a_100000694244_100012349962 [0,1,0,0,0,0|3,0,0]=4 441 B11R1.156 C=C(C)c1c(cccc1F)F 271570a_100000694244_100000693133 [0,1,0,0,0,0|3,0,0]=4 442 B11R1.156 C=C(C)c1c(cccc1F)N 271570a_100000694244_100011934729 [0,1,0,0,0,0|3,0,0]=4 443 B11R1.156 C=C(C)c1c(cccc1F)O 271570a_100000694244_100009820682 [0,1,0,0,0,0|2,0,0]=3 444 B11R1.156 C=C(C)c1c(cccc1N)C 271570a_100000694244_100000684715 [0,1,0,0,0,0|3,0,0]=4 445 B11R1.156 C=C(C)c1c(cccc1O)C 271570a_100000694244_100000686692 [0,1,0,0,0,0|2,0,0]=3 446 B11R1.156 C=C(C)c1c(cccc1O)N 271570a_100000694244_100012183704 [0,1,0,0,0,0|2,0,0]=3 447 B11R1.156 C=C(C)c1c(cccc1O)O 271570a_100000694244_100010205330 [0,1,0,0,0,0|2,0,0]=3 448 B11R1.156 C=C(C)c1c(ccnc1O)C 271570a_100000694244_100012000493 [0,1,0,0,0,0|3,0,0]=4 449 B11R1.156 C=C(C)c1c(ccnc1O)O 271570a_100000694244_200009817435 [0,1,0,0,0,0|3,0,0]=4 450 B11R1.156 CC(=O)c1c(cccc1Br)Br 1458a_100000690891_200000210301 [0,1,0,0,0,0|2,0,0]=3 451 B11R1.156 CC(=O)c1c(cccc1Br)C 1458a_100000701904_200000210301 [0,1,0,0,0,0|2,0,0]=3 452 B11R1.156 CC(=O)c1c(cccc1Br)Cl 1458a_100011253703_200000210301 [0,1,0,0,0,0|2,0,0]=3 453 B11R1.156 CC(=O)c1c(cccc1Br)F 1458a_100000752694_200000210301 [0,1,0,0,0,0|2,0,0]=3 454 B11R1.156 CC(=O)c1c(cccc1Br)O 1458a_100011935254_200000210301 [0,1,0,0,0,0|1,0,0]=2 455 B11R1.156 CC(=O)c1c(cccc1C)C 1458a_100000758298_200000210301 [0,1,0,0,0,0|2,0,0]=3 456 B11R1.156 CC(=O)c1c(cccc1Cl)C 1458a_100000692601_200000210301 [0,1,0,0,0,0|2,0,0]=3 457 B11R1.156 CC(=O)c1c(cccc1Cl)Cl 1458a_100000210656_200000210301 [0,1,0,0,0,0|2,0,0]=3 458 B11R1.156 CC(=O)c1c(cccc1Cl)F 1458a_100000210369_200000210301 [0,1,0,0,0,0|2,0,0]=3 459 B11R1.156 CC(=O)c1c(cccc1Cl)O 1458a_100000745519_200000210301 [0,1,0,0,0,0|1,0,0]=2 460 B11R1.156 CC(=O)c1c(cccc1F)C 1458a_100000762013_200000210301 [0,1,0,0,0,0|2,0,0]=3 461 B11R1.156 CC(=O)c1c(cccc1F)F 1458a_100000210804_200000210301 [0,1,0,0,0,0|2,0,0]=3 462 B11R1.156 CC(=O)c1c(cccc1F)O 1458a_100000763259_200000210301 [0,1,0,0,0,0|1,0,0]=2 463 B11R1.156 CC(=O)c1c(cccc1F)O 271570a_203496583355_100012351873 [0,1,0,0,0,0|1,0,0]=2 464 B11R1.156 CC(=O)c1c(cccc1I)Br 1458a_100010232521_200000210301 [0,1,0,0,0,0|2,0,0]=3 465 B11R1.156 CC(=O)c1c(cccc1I)C 1458a_100000688020_200000210301 [0,1,0,0,0,0|2,0,0]=3 466 B11R1.156 CC(=O)c1c(cccc1I)Cl 1458a_100000702859_200000210301 [0,1,0,0,0,0|2,0,0]=3 467 B11R1.156 CC(=O)c1c(cccc1I)F 1458a_100000023732_200000210301 [0,1,0,0,0,0|2,0,0]=3 468 B11R1.156 CC(=O)c1c(cccc1O)C 1458a_100011934116_200000210301 [0,1,0,0,0,0|1,0,0]=2 469 B11R1.156 CC(=O)c1c(cccc1O)O 1458a_100000755285_200000210301 [0,1,0,0,0,0|1,0,0]=2 470 B11R1.156 CC(=O)c1c(cccc1O)O 271570a_203496583355_100010174959 [0,1,0,0,0,0|1,0,0]=2 471 B11R1.156 CC(=O)c1c(ccnc1O)N 271570a_203496583355_200010729368 [0,1,0,0,0,0|2,0,0]=3 472 B11R1.156 CC(O)c1c(cccc1F)O 271570a_203496583355_100013085324 [0,1,0,0,0,0|1,0,1]=3 473 B11R1.156 Cc1cccc(c1C(=O)[13CH3])Br 1458a_100000701904_200025704644 [0,1,0,0,0,0|2,0,0]=3 474 B11R1.156 Cc1cccc(c1C(=O)[13CH3])C 1458a_100000758298_200025704644 [0,1,0,0,0,0|2,0,0]=3 475 B11R1.156 Cc1cccc(c1C(=O)[13CH3])Cl 1458a_100000692601_200025704644 [0,1,0,0,0,0|2,0,0]=3 476 B11R1.156 Cc1cccc(c1C(=O)[13CH3])F 1458a_100000762013_200025704644 [0,1,0,0,0,0|2,0,0]=3 477 B11R1.156 Cc1cccc(c1C(=O)[13CH3])I 1458a_100000688020_200025704644 [0,1,0,0,0,0|2,0,0]=3 478 B11R1.156 Cc1cccc(c1C(=O)[13CH3])O 1458a_100011934116_200025704644 [0,1,0,0,0,0|1,0,0]=2 479 B11R1.156 Cc1cncc(c1B(O)O)O 271570a_203496583355_200010158973 [0,1,0,0,0,0|2,0,1]=4 480 B11R1.156 NC(=O)c1c(cccc1Cl)O 271570a_203496583355_100010147686 [0,1,0,0,0,0|1,0,0]=2 481 B11R1.156 NC(=O)c1c(cccc1F)O 271570a_203496583355_100011219063 [0,1,0,0,0,0|1,0,0]=2 482 B11R1.156 NC(=O)c1c(cncc1F)O 271570a_203496583355_100010271514 [0,1,0,0,0,0|2,0,0]=3 483 B11R1.156 Oc1cccc(c1C(F)F)F 271570a_203496583355_100010189891 [0,1,0,0,0,0|2,0,1]=4 484 B11R1.156 [13CH3]C(=O)c1c(cccc1Br)Br 1458a_100000690891_200025704644 [0,1,0,0,0,0|2,0,0]=3 485 B11R1.156 [13CH3]C(=O)c1c(cccc1Br)Cl 1458a_100011253703_200025704644 [0,1,0,0,0,0|2,0,0]=3 486 B11R1.156 [13CH3]C(=O)c1c(cccc1Br)F 1458a_100000752694_200025704644 [0,1,0,0,0,0|2,0,0]=3 487 B11R1.156 [13CH3]C(=O)c1c(cccc1Br)O 1458a_100011935254_200025704644 [0,1,0,0,0,0|1,0,0]=2 488 B11R1.156 [13CH3]C(=O)c1c(cccc1Cl)Cl 1458a_100000210656_200025704644 [0,1,0,0,0,0|2,0,0]=3 489 B11R1.156 [13CH3]C(=O)c1c(cccc1Cl)F 1458a_100000210369_200025704644 [0,1,0,0,0,0|2,0,0]=3 490 B11R1.156 [13CH3]C(=O)c1c(cccc1Cl)O 1458a_100000745519_200025704644 [0,1,0,0,0,0|1,0,0]=2 491 B11R1.156 [13CH3]C(=O)c1c(cccc1F)F 1458a_100000210804_200025704644 [0,1,0,0,0,0|2,0,0]=3 492 B11R1.156 [13CH3]C(=O)c1c(cccc1F)O 1458a_100000763259_200025704644 [0,1,0,0,0,0|1,0,0]=2 493 B11R1.156 [13CH3]C(=O)c1c(cccc1I)Br 1458a_100010232521_200025704644 [0,1,0,0,0,0|2,0,0]=3 494 B11R1.156 [13CH3]C(=O)c1c(cccc1I)Cl 1458a_100000702859_200025704644 [0,1,0,0,0,0|2,0,0]=3 495 B11R1.156 [13CH3]C(=O)c1c(cccc1I)F 1458a_100000023732_200025704644 [0,1,0,0,0,0|2,0,0]=3 496 B11R1.156 [13CH3]C(=O)c1c(cccc1O)O 1458a_100000755285_200025704644 [0,1,0,0,0,0|1,0,0]=2 497 B11R1.159 C=C(C)c1cccc(c1Br)O 271570a_100000694244_100010187914 [0,1,0,0,0,0|3,0,0]=4 498 B11R1.159 C=C(C)c1cccc(c1C)Br 271570a_100000694244_100012353703 [0,1,0,0,0,0|3,0,0]=4 499 B11R1.159 C=C(C)c1cccc(c1C)C 271570a_100000694244_100011214922 [0,1,0,0,0,0|3,0,0]=4 500 B11R1.159 C=C(C)c1cccc(c1C)Cl 271570a_100000694244_100000726075 [0,1,0,0,0,0|3,0,0]=4 501 B11R1.159 C=C(C)c1cccc(c1C)F 271570a_100000694244_100011216893 [0,1,0,0,0,0|3,0,0]=4 502 B11R1.159 C=C(C)c1cccc(c1C)N 271570a_100000694244_100000761887 [0,1,0,0,0,0|3,0,0]=4 503 B11R1.159 C=C(C)c1cccc(c1C)O 271570a_100000694244_100012002258 [0,1,0,0,0,0|3,0,0]=4 504 B11R1.159 C=C(C)c1cccc(c1Cl)Br 271570a_100000694244_100010142854 [0,1,0,0,0,0|3,0,0]=4 505 B11R1.159 C=C(C)c1cccc(c1Cl)C 271570a_100000694244_200012352035 [0,1,0,0,0,0|3,0,0]=4 506 B11R1.159 C=C(C)c1cccc(c1Cl)Cl 271570a_100000694244_100011215384 [0,1,0,0,0,0|3,0,0]=4 507 B11R1.159 C=C(C)c1cccc(c1Cl)F 271570a_100000694244_200010234923 [0,1,0,0,0,0|3,0,0]=4 508 B11R1.159 C=C(C)c1cccc(c1Cl)O 271570a_100000694244_100000049636 [0,1,0,0,0,0|3,0,0]=4 509 B11R1.159 C=C(C)c1cccc(c1F)Br 271570a_100000694244_100000702267 [0,1,0,0,0,0|3,0,0]=4 510 B11R1.159 C=C(C)c1cccc(c1F)C 271570a_100000694244_100000717567 [0,1,0,0,0,0|3,0,0]=4 511 B11R1.159 C=C(C)c1cccc(c1F)Cl 271570a_100000694244_100011217346 [0,1,0,0,0,0|3,0,0]=4 512 B11R1.159 C=C(C)c1cccc(c1F)F 271570a_100000694244_100000694657 [0,1,0,0,0,0|3,0,0]=4 513 B11R1.159 C=C(C)c1cccc(c1F)N 271570a_100000694244_100011935091 [0,1,0,0,0,0|3,0,0]=4 514 B11R1.159 C=C(C)c1cccc(c1F)O 271570a_100000694244_100009817021 [0,1,0,0,0,0|3,0,0]=4 515 B11R1.159 C=C(C)c1cccc(c1N)Br 271570a_100000694244_100010146558 [0,1,0,0,0,0|3,0,0]=4 516 B11R1.159 C=C(C)c1cccc(c1N)C 271570a_100000694244_100011834072 [0,1,0,0,0,0|3,0,0]=4 517 B11R1.159 C=C(C)c1cccc(c1N)Cl 271570a_100000694244_100010190421 [0,1,0,0,0,0|3,0,0]=4 518 B11R1.159 C=C(C)c1cccc(c1N)F 271570a_100000694244_100000042321 [0,1,0,0,0,0|3,0,0]=4 519 B11R1.159 C=C(C)c1cccc(c1N)N 271570a_100000694244_100015191791 [0,1,0,0,0,0|3,0,0]=4 520 B11R1.159 C=C(C)c1cccc(c1N)O 271570a_100000694244_100011934926 [0,1,0,0,0,0|3,0,0]=4 521 B11R1.159 C=C(C)c1cccc(c1O)Br 271570a_100000694244_100010084509 [0,1,0,0,0,0|2,0,0]=3 522 B11R1.159 C=C(C)c1cccc(c1O)C 271570a_100000694244_100009817157 [0,1,0,0,0,0|2,0,0]=3 523 B11R1.159 C=C(C)c1cccc(c1O)Cl 271570a_100000694244_100010202889 [0,1,0,0,0,0|2,0,0]=3 524 B11R1.159 C=C(C)c1cccc(c1O)F 271570a_100000694244_100009813666 [0,1,0,0,0,0|2,0,0]=3 525 B11R1.159 C=C(C)c1cccc(c1O)N 271570a_100000694244_100011934915 [0,1,0,0,0,0|2,0,0]=3 526 B11R1.159 C=C(C)c1cccc(c1O)O 271570a_100000694244_100009815950 [0,1,0,0,0,0|2,0,0]=3 527 B11R1.159 C=C(C)c1nccc(c1O)C 271570a_100000694244_100000696282 [0,1,0,0,0,0|3,0,0]=4 528 B11R1.159 C=C(C)c1nccc(c1O)F 271570a_100000694244_100009867227 [0,1,0,0,0,0|3,0,0]=4 529 B11R1.159 CC(=O)c1cccc(c1Br)Br 1458a_100012360534_200000210301 [0,1,0,0,0,0|2,0,0]=3 530 B11R1.159 CC(=O)c1cccc(c1Br)C 1458a_100000692419_200000210301 [0,1,0,0,0,0|2,0,0]=3 531 B11R1.159 CC(=O)c1cccc(c1Br)Cl 1458a_100012339722_200000210301 [0,1,0,0,0,0|2,0,0]=3 532 B11R1.159 CC(=O)c1cccc(c1Br)F 1458a_100011217547_200000210301 [0,1,0,0,0,0|2,0,0]=3 533 B11R1.159 CC(=O)c1cccc(c1Br)I 1458a_100010232522_200000210301 [0,1,0,0,0,0|2,0,0]=3 534 B11R1.159 CC(=O)c1cccc(c1Br)O 1458a_100010230362_200000210301 [0,1,0,0,0,0|2,0,0]=3 535 B11R1.159 CC(=O)c1cccc(c1C)Br 1458a_100000760464_200000210301 [0,1,0,0,0,0|2,0,0]=3 536 B11R1.159 CC(=O)c1cccc(c1C)C 1458a_100000183679_200000210301 [0,1,0,0,0,0|2,0,0]=3 537 B11R1.159 CC(=O)c1cccc(c1C)Cl 1458a_100000690184_200000210301 [0,1,0,0,0,0|2,0,0]=3 538 B11R1.159 CC(=O)c1cccc(c1C)F 1458a_100011218272_200000210301 [0,1,0,0,0,0|2,0,0]=3 539 B11R1.159 CC(=O)c1cccc(c1C)I 1458a_100000751865_200000210301 [0,1,0,0,0,0|2,0,0]=3 540 B11R1.159 CC(=O)c1cccc(c1C)O 1458a_100000766327_200000210301 [0,1,0,0,0,0|2,0,0]=3 541 B11R1.159 CC(=O)c1cccc(c1C)O 271570a_203496583355_100012706834 [0,1,0,0,0,0|2,0,0]=3 542 B11R1.159 CC(=O)c1cccc(c1Cl)Br 1458a_100000760540_200000210301 [0,1,0,0,0,0|2,0,0]=3 543 B11R1.159 CC(=O)c1cccc(c1Cl)C 1458a_100000693142_200000210301 [0,1,0,0,0,0|2,0,0]=3 544 B11R1.159 CC(=O)c1cccc(c1Cl)Cl 1458a_100000183631_200000210301 [0,1,0,0,0,0|2,0,0]=3 545 B11R1.159 CC(=O)c1cccc(c1Cl)F 1458a_100000759904_200000210301 [0,1,0,0,0,0|2,0,0]=3 546 B11R1.159 CC(=O)c1cccc(c1Cl)I 1458a_100010176783_200000210301 [0,1,0,0,0,0|2,0,0]=3 547 B11R1.159 CC(=O)c1cccc(c1Cl)O 1458a_100000092362_200000210301 [0,1,0,0,0,0|2,0,0]=3 548 B11R1.159 CC(=O)c1cccc(c1F)Br 1458a_100000756403_200000210301 [0,1,0,0,0,0|2,0,0]=3 549 B11R1.159 CC(=O)c1cccc(c1F)C 1458a_100000766181_200000210301 [0,1,0,0,0,0|2,0,0]=3 550 B11R1.159 CC(=O)c1cccc(c1F)Cl 1458a_100000688816_200000210301 [0,1,0,0,0,0|2,0,0]=3 551 B11R1.159 CC(=O)c1cccc(c1F)F 1458a_100000748134_200000210301 [0,1,0,0,0,0|2,0,0]=3 552 B11R1.159 CC(=O)c1cccc(c1F)I 1458a_100010185205_200000210301 [0,1,0,0,0,0|2,0,0]=3 553 B11R1.159 CC(=O)c1cccc(c1F)O 1458a_100000037433_200000210301 [0,1,0,0,0,0|2,0,0]=3 554 B11R1.159 CC(=O)c1cccc(c1F)O 271570a_203496583355_100012355707 [0,1,0,0,0,0|2,0,0]=3 555 B11R1.159 CC(=O)c1cccc(c1I)Br 1458a_100000688019_200000210301 [0,1,0,0,0,0|2,0,0]=3 556 B11R1.159 CC(=O)c1cccc(c1I)C 1458a_100000739377_200000210301 [0,1,0,0,0,0|2,0,0]=3 557 B11R1.159 CC(=O)c1cccc(c1I)Cl 1458a_100010176784_200000210301 [0,1,0,0,0,0|2,0,0]=3 558 B11R1.159 CC(=O)c1cccc(c1I)F 1458a_100000690930_200000210301 [0,1,0,0,0,0|2,0,0]=3 559 B11R1.159 CC(=O)c1cccc(c1I)O 1458a_100010084636_200000210301 [0,1,0,0,0,0|2,0,0]=3 560 B11R1.159 CC(=O)c1cccc(c1O)Br 1458a_100000752940_200000210301 [0,1,0,0,0,0|1,0,0]=2 561 B11R1.159 CC(=O)c1cccc(c1O)C 1458a_100000183896_200000210301 [0,1,0,0,0,0|1,0,0]=2 562 B11R1.159 CC(=O)c1cccc(c1O)Cl 1458a_100000742801_200000210301 [0,1,0,0,0,0|1,0,0]=2 563 B11R1.159 CC(=O)c1cccc(c1O)F 1458a_100011217230_200000210301 [0,1,0,0,0,0|1,0,0]=2 564 B11R1.159 CC(=O)c1cccc(c1O)F 271570a_203496583355_100012362612 [0,1,0,0,0,0|1,0,0]=2 565 B11R1.159 CC(=O)c1cccc(c1O)O 1458a_100000690420_200000210301 [0,1,0,0,0,0|1,0,0]=2 566 B11R1.159 CC(=O)c1cccc(c1O)O 271570a_203496583355_100009815558 [0,1,0,0,0,0|1,0,0]=2 567 B11R1.159 CC(=O)c1ccnc(c1N)O 271570a_203496583355_200000063496 [0,1,0,0,0,0|3,0,0]=4 568 B11R1.159 CC(=O)c1nccc(c1F)O 271570a_203496583355_100010729024 [0,1,0,0,0,0|3,0,0]=4 569 B11R1.159 CC(O)c1cccc(c1F)O 271570a_203496583355_200012356376 [0,1,0,0,0,0|2,0,1]=4 570 B11R1.159 Cc1c(cccc1B(O)O)O 271570a_203496583355_100000724322 [0,1,0,0,0,0|2,0,1]=4 571 B11R1.159 Cc1c(cccc1C(=O)N)O 271570a_203496583355_200012298201 [0,1,0,0,0,0|2,0,0]=3 572 B11R1.159 Cc1c(cccc1C(=O)[13CH3])Br 1458a_100000760464_200025704644 [0,1,0,0,0,0|2,0,0]=3 573 B11R1.159 Cc1c(cccc1C(=O)[13CH3])Cl 1458a_100000690184_200025704644 [0,1,0,0,0,0|2,0,0]=3 574 B11R1.159 Cc1c(cccc1C(=O)[13CH3])F 1458a_100011218272_200025704644 [0,1,0,0,0,0|2,0,0]=3 575 B11R1.159 Cc1c(cccc1C(=O)[13CH3])I 1458a_100000751865_200025704644 [0,1,0,0,0,0|2,0,0]=3 576 B11R1.159 Cc1c(cccc1C(=O)[13CH3])O 1458a_100000766327_200025704644 [0,1,0,0,0,0|2,0,0]=3 577 B11R1.159 Cc1cccc(c1Br)C(=O)[13CH3] 1458a_100000692419_200025704644 [0,1,0,0,0,0|2,0,0]=3 578 B11R1.159 Cc1cccc(c1C)C(=O)[13CH3] 1458a_100000183679_200025704644 [0,1,0,0,0,0|2,0,0]=3 579 B11R1.159 Cc1cccc(c1Cl)C(=O)[13CH3] 1458a_100000693142_200025704644 [0,1,0,0,0,0|2,0,0]=3 580 B11R1.159 Cc1cccc(c1F)C(=O)[13CH3] 1458a_100000766181_200025704644 [0,1,0,0,0,0|2,0,0]=3 581 B11R1.159 Cc1cccc(c1I)C(=O)[13CH3] 1458a_100000739377_200025704644 [0,1,0,0,0,0|2,0,0]=3 582 B11R1.159 Cc1cccc(c1O)C(=O)N 271570a_203496583355_200011409216 [0,1,0,0,0,0|1,0,0]=2 583 B11R1.159 Cc1cccc(c1O)C(=O)[13CH3] 1458a_100000183896_200025704644 [0,1,0,0,0,0|1,0,0]=2 584 B11R1.159 NC(=O)c1cccc(c1F)O 271570a_203496583355_100012351131 [0,1,0,0,0,0|2,0,0]=3 585 B11R1.159 NC(=O)c1cccc(c1N)O 271570a_203496583355_100010144993 [0,1,0,0,0,0|2,0,0]=3 586 B11R1.159 NC(=O)c1cccc(c1O)F 271570a_203496583355_200012351544 [0,1,0,0,0,0|1,0,0]=2 587 B11R1.159 NC(=O)c1ccnc(c1N)O 271570a_203496583355_100000080204 [0,1,0,0,0,0|3,0,0]=4 588 B11R1.159 OB(O)c1cccc(c1F)O 271570a_203496583355_100011934463 [0,1,0,0,0,0|2,0,1]=4 589 B11R1.159 [13CH3]C(=O)c1cccc(c1Br)Br 1458a_100012360534_200025704644 [0,1,0,0,0,0|2,0,0]=3 590 B11R1.159 [13CH3]C(=O)c1cccc(c1Br)Cl 1458a_100012339722_200025704644 [0,1,0,0,0,0|2,0,0]=3 591 B11R1.159 [13CH3]C(=O)c1cccc(c1Br)F 1458a_100011217547_200025704644 [0,1,0,0,0,0|2,0,0]=3 592 B11R1.159 [13CH3]C(=O)c1cccc(c1Br)I 1458a_100010232522_200025704644 [0,1,0,0,0,0|2,0,0]=3 593 B11R1.159 [13CH3]C(=O)c1cccc(c1Br)O 1458a_100010230362_200025704644 [0,1,0,0,0,0|2,0,0]=3 594 B11R1.159 [13CH3]C(=O)c1cccc(c1Cl)Br 1458a_100000760540_200025704644 [0,1,0,0,0,0|2,0,0]=3 595 B11R1.159 [13CH3]C(=O)c1cccc(c1Cl)Cl 1458a_100000183631_200025704644 [0,1,0,0,0,0|2,0,0]=3 596 B11R1.159 [13CH3]C(=O)c1cccc(c1Cl)F 1458a_100000759904_200025704644 [0,1,0,0,0,0|2,0,0]=3 597 B11R1.159 [13CH3]C(=O)c1cccc(c1Cl)I 1458a_100010176783_200025704644 [0,1,0,0,0,0|2,0,0]=3 598 B11R1.159 [13CH3]C(=O)c1cccc(c1Cl)O 1458a_100000092362_200025704644 [0,1,0,0,0,0|2,0,0]=3 599 B11R1.159 [13CH3]C(=O)c1cccc(c1F)Br 1458a_100000756403_200025704644 [0,1,0,0,0,0|2,0,0]=3 600 B11R1.159 [13CH3]C(=O)c1cccc(c1F)Cl 1458a_100000688816_200025704644 [0,1,0,0,0,0|2,0,0]=3 601 B11R1.159 [13CH3]C(=O)c1cccc(c1F)F 1458a_100000748134_200025704644 [0,1,0,0,0,0|2,0,0]=3 602 B11R1.159 [13CH3]C(=O)c1cccc(c1F)I 1458a_100010185205_200025704644 [0,1,0,0,0,0|2,0,0]=3 603 B11R1.159 [13CH3]C(=O)c1cccc(c1F)O 1458a_100000037433_200025704644 [0,1,0,0,0,0|2,0,0]=3 604 B11R1.159 [13CH3]C(=O)c1cccc(c1I)Br 1458a_100000688019_200025704644 [0,1,0,0,0,0|2,0,0]=3 605 B11R1.159 [13CH3]C(=O)c1cccc(c1I)Cl 1458a_100010176784_200025704644 [0,1,0,0,0,0|2,0,0]=3 606 B11R1.159 [13CH3]C(=O)c1cccc(c1I)F 1458a_100000690930_200025704644 [0,1,0,0,0,0|2,0,0]=3 607 B11R1.159 [13CH3]C(=O)c1cccc(c1I)O 1458a_100010084636_200025704644 [0,1,0,0,0,0|2,0,0]=3 608 B11R1.159 [13CH3]C(=O)c1cccc(c1O)Br 1458a_100000752940_200025704644 [0,1,0,0,0,0|1,0,0]=2 609 B11R1.159 [13CH3]C(=O)c1cccc(c1O)Cl 1458a_100000742801_200025704644 [0,1,0,0,0,0|1,0,0]=2 610 B11R1.159 [13CH3]C(=O)c1cccc(c1O)F 1458a_100011217230_200025704644 [0,1,0,0,0,0|1,0,0]=2 611 B11R1.159 [13CH3]C(=O)c1cccc(c1O)O 1458a_100000690420_200025704644 [0,1,0,0,0,0|1,0,0]=2 612 B11R1.166 C=C(C)c1ccc(cc1Br)Br 271570a_100000694244_100011484698 [0,1,0,0,0,0|3,0,0]=4 613 B11R1.166 C=C(C)c1ccc(cc1Br)C 271570a_100000694244_100009813563 [0,1,0,0,0,0|3,0,0]=4 614 B11R1.166 C=C(C)c1ccc(cc1Br)Cl 271570a_100000694244_100011219703 [0,1,0,0,0,0|3,0,0]=4 615 B11R1.166 C=C(C)c1ccc(cc1Br)F 271570a_100000694244_100011217111 [0,1,0,0,0,0|3,0,0]=4 616 B11R1.166 C=C(C)c1ccc(cc1Br)N 271570a_100000694244_100000750458 [0,1,0,0,0,0|3,0,0]=4 617 B11R1.166 C=C(C)c1ccc(cc1Br)O 271570a_100000694244_100000701344 [0,1,0,0,0,0|3,0,0]=4 618 B11R1.166 C=C(C)c1ccc(cc1C)Br 271570a_100000694244_100000701812 [0,1,0,0,0,0|3,0,0]=4 619 B11R1.166 C=C(C)c1ccc(cc1C)C 271570a_100000694244_100011217332 [0,1,0,0,0,0|3,0,0]=4 620 B11R1.166 C=C(C)c1ccc(cc1C)Cl 271570a_100000694244_100011219607 [0,1,0,0,0,0|3,0,0]=4 621 B11R1.166 C=C(C)c1ccc(cc1C)F 271570a_100000694244_100011205405 [0,1,0,0,0,0|3,0,0]=4 622 B11R1.166 C=C(C)c1ccc(cc1C)N 271570a_100000694244_100000210723 [0,1,0,0,0,0|3,0,0]=4 623 B11R1.166 C=C(C)c1ccc(cc1C)O 271570a_100000694244_100000729255 [0,1,0,0,0,0|3,0,0]=4 624 B11R1.166 C=C(C)c1ccc(cc1Cl)Br 271570a_100000694244_100011216062 [0,1,0,0,0,0|3,0,0]=4 625 B11R1.166 C=C(C)c1ccc(cc1Cl)C 271570a_100000694244_100011263221 [0,1,0,0,0,0|3,0,0]=4 626 B11R1.166 C=C(C)c1ccc(cc1Cl)Cl 271570a_100000694244_100000699841 [0,1,0,0,0,0|3,0,0]=4 627 B11R1.166 C=C(C)c1ccc(cc1Cl)F 271570a_100000694244_100000733362 [0,1,0,0,0,0|3,0,0]=4 628 B11R1.166 C=C(C)c1ccc(cc1Cl)N 271570a_100000694244_100000761885 [0,1,0,0,0,0|3,0,0]=4 629 B11R1.166 C=C(C)c1ccc(cc1Cl)O 271570a_100000694244_100000047559 [0,1,0,0,0,0|3,0,0]=4 630 B11R1.166 C=C(C)c1ccc(cc1F)Br 271570a_100000694244_100009814013 [0,1,0,0,0,0|3,0,0]=4 631 B11R1.166 C=C(C)c1ccc(cc1F)C 271570a_100000694244_100011216119 [0,1,0,0,0,0|3,0,0]=4 632 B11R1.166 C=C(C)c1ccc(cc1F)Cl 271570a_100000694244_100011216042 [0,1,0,0,0,0|3,0,0]=4 633 B11R1.166 C=C(C)c1ccc(cc1F)F 271570a_100000694244_100000750030 [0,1,0,0,0,0|3,0,0]=4 634 B11R1.166 C=C(C)c1ccc(cc1F)N 271570a_100000694244_100011356925 [0,1,0,0,0,0|3,0,0]=4 635 B11R1.166 C=C(C)c1ccc(cc1F)O 271570a_100000694244_100000755031 [0,1,0,0,0,0|3,0,0]=4 636 B11R1.166 C=C(C)c1ccc(cc1N)Br 271570a_100000694244_100000743836 [0,1,0,0,0,0|3,0,0]=4 637 B11R1.166 C=C(C)c1ccc(cc1N)C 271570a_100000694244_100011216686 [0,1,0,0,0,0|3,0,0]=4 638 B11R1.166 C=C(C)c1ccc(cc1N)Cl 271570a_100000694244_100000761886 [0,1,0,0,0,0|3,0,0]=4 639 B11R1.166 C=C(C)c1ccc(cc1N)F 271570a_100000694244_100011218093 [0,1,0,0,0,0|3,0,0]=4 640 B11R1.166 C=C(C)c1ccc(cc1N)N 271570a_100000694244_200012175722 [0,1,0,0,0,0|3,0,0]=4 641 B11R1.166 C=C(C)c1ccc(cc1N)O 271570a_100000694244_100011999798 [0,1,0,0,0,0|3,0,0]=4 642 B11R1.166 C=C(C)c1ccc(cc1O)Br 271570a_100000694244_100012344904 [0,1,0,0,0,0|2,0,0]=3 643 B11R1.166 C=C(C)c1ccc(cc1O)C 271570a_100000694244_100012002257 [0,1,0,0,0,0|2,0,0]=3 644 B11R1.166 C=C(C)c1ccc(cc1O)Cl 271570a_100000694244_100000050036 [0,1,0,0,0,0|2,0,0]=3 645 B11R1.166 C=C(C)c1ccc(cc1O)F 271570a_100000694244_100000690578 [0,1,0,0,0,0|2,0,0]=3 646 B11R1.166 C=C(C)c1ccc(cc1O)O 271570a_100000694244_100009813921 [0,1,0,0,0,0|2,0,0]=3 647 B11R1.166 C=C(C)c1ccc(nc1O)C 271570a_100000694244_100009817604 [0,1,0,0,0,0|3,0,0]=4 648 B11R1.166 C=C(C)c1cnc(cc1O)C 271570a_100000694244_100011016184 [0,1,0,0,0,0|3,0,0]=4 649 B11R1.166 C=C(C)c1ncc(cc1O)Br 271570a_100000694244_100010210634 [0,1,0,0,0,0|3,0,0]=4 650 B11R1.166 C=C(C)c1ncc(cc1O)C 271570a_100000694244_100012000487 [0,1,0,0,0,0|3,0,0]=4 651 B11R1.166 C=C(C)c1ncc(cc1O)Cl 271570a_100000694244_100010233512 [0,1,0,0,0,0|3,0,0]=4 652 B11R1.166 C=C(C)c1ncc(cc1O)F 271570a_100000694244_100000079967 [0,1,0,0,0,0|3,0,0]=4 653 B11R1.166 CC(=O)c1ccc(cc1Br)Br 1458a_100000762965_200000210301 [0,1,0,0,0,0|2,0,0]=3 654 B11R1.166 CC(=O)c1ccc(cc1Br)C 1458a_100000685072_200000210301 [0,1,0,0,0,0|2,0,0]=3 655 B11R1.166 CC(=O)c1ccc(cc1Br)Cl 1458a_100000766353_200000210301 [0,1,0,0,0,0|2,0,0]=3 656 B11R1.166 CC(=O)c1ccc(cc1Br)F 1458a_100000212304_200000210301 [0,1,0,0,0,0|2,0,0]=3 657 B11R1.166 CC(=O)c1ccc(cc1Br)I 1458a_100012360512_200000210301 [0,1,0,0,0,0|2,0,0]=3 658 B11R1.166 CC(=O)c1ccc(cc1Br)O 1458a_100012344906_200000210301 [0,1,0,0,0,0|2,0,0]=3 659 B11R1.166 CC(=O)c1ccc(cc1C)Br 1458a_100000741311_200000210301 [0,1,0,0,0,0|2,0,0]=3 660 B11R1.166 CC(=O)c1ccc(cc1C)C 1458a_100000211164_200000210301 [0,1,0,0,0,0|2,0,0]=3 661 B11R1.166 CC(=O)c1ccc(cc1C)Cl 1458a_100000688705_200000210301 [0,1,0,0,0,0|2,0,0]=3 662 B11R1.166 CC(=O)c1ccc(cc1C)F 1458a_100000686989_200000210301 [0,1,0,0,0,0|2,0,0]=3 663 B11R1.166 CC(=O)c1ccc(cc1C)I 1458a_100010189873_200000210301 [0,1,0,0,0,0|2,0,0]=3 664 B11R1.166 CC(=O)c1ccc(cc1C)O 1458a_100000692822_200000210301 [0,1,0,0,0,0|2,0,0]=3 665 B11R1.166 CC(=O)c1ccc(cc1C)O 271570a_203496583355_100012360112 [0,1,0,0,0,0|2,0,0]=3 666 B11R1.166 CC(=O)c1ccc(cc1Cl)Br 1458a_100000741628_200000210301 [0,1,0,0,0,0|2,0,0]=3 667 B11R1.166 CC(=O)c1ccc(cc1Cl)C 1458a_100000766932_200000210301 [0,1,0,0,0,0|2,0,0]=3 668 B11R1.166 CC(=O)c1ccc(cc1Cl)Cl 1458a_100000185840_200000210301 [0,1,0,0,0,0|2,0,0]=3 669 B11R1.166 CC(=O)c1ccc(cc1Cl)F 1458a_100000211397_200000210301 [0,1,0,0,0,0|2,0,0]=3 670 B11R1.166 CC(=O)c1ccc(cc1Cl)I 1458a_100000751301_200000210301 [0,1,0,0,0,0|2,0,0]=3 671 B11R1.166 CC(=O)c1ccc(cc1Cl)O 1458a_100000702456_200000210301 [0,1,0,0,0,0|2,0,0]=3 672 B11R1.166 CC(=O)c1ccc(cc1F)Br 1458a_100000214689_200000210301 [0,1,0,0,0,0|2,0,0]=3 673 B11R1.166 CC(=O)c1ccc(cc1F)C 1458a_100000766033_200000210301 [0,1,0,0,0,0|2,0,0]=3 674 B11R1.166 CC(=O)c1ccc(cc1F)Cl 1458a_100000212326_200000210301 [0,1,0,0,0,0|2,0,0]=3 675 B11R1.166 CC(=O)c1ccc(cc1F)F 1458a_100000211022_200000210301 [0,1,0,0,0,0|2,0,0]=3 676 B11R1.166 CC(=O)c1ccc(cc1F)I 1458a_100000037189_200000210301 [0,1,0,0,0,0|2,0,0]=3 677 B11R1.166 CC(=O)c1ccc(cc1F)O 1458a_100000689029_200000210301 [0,1,0,0,0,0|2,0,0]=3 678 B11R1.166 CC(=O)c1ccc(cc1F)O 271570a_203496583355_100000690205 [0,1,0,0,0,0|2,0,0]=3 679 B11R1.166 CC(=O)c1ccc(cc1I)Br 1458a_100000751167_200000210301 [0,1,0,0,0,0|2,0,0]=3 680 B11R1.166 CC(=O)c1ccc(cc1I)C 1458a_100009999607_200000210301 [0,1,0,0,0,0|2,0,0]=3 681 B11R1.166 CC(=O)c1ccc(cc1I)Cl 1458a_100000739380_200000210301 [0,1,0,0,0,0|2,0,0]=3 682 B11R1.166 CC(=O)c1ccc(cc1I)F 1458a_100000739341_200000210301 [0,1,0,0,0,0|2,0,0]=3 683 B11R1.166 CC(=O)c1ccc(cc1N)O 271570a_203496583355_100011590516 [0,1,0,0,0,0|2,0,0]=3 684 B11R1.166 CC(=O)c1ccc(cc1O)Br 1458a_100000744433_200000210301 [0,1,0,0,0,0|1,0,0]=2 685 B11R1.166 CC(=O)c1ccc(cc1O)C 1458a_100000212137_200000210301 [0,1,0,0,0,0|1,0,0]=2 686 B11R1.166 CC(=O)c1ccc(cc1O)C 271570a_203496583355_100012353930 [0,1,0,0,0,0|1,0,0]=2 687 B11R1.166 CC(=O)c1ccc(cc1O)Cl 1458a_100000188622_200000210301 [0,1,0,0,0,0|1,0,0]=2 688 B11R1.166 CC(=O)c1ccc(cc1O)F 1458a_100000746061_200000210301 [0,1,0,0,0,0|1,0,0]=2 689 B11R1.166 CC(=O)c1ccc(cc1O)F 271570a_203496583355_100000686192 [0,1,0,0,0,0|1,0,0]=2 690 B11R1.166 CC(=O)c1ccc(cc1O)I 1458a_100000091984_200000210301 [0,1,0,0,0,0|1,0,0]=2 691 B11R1.166 CC(=O)c1ccc(cc1O)O 1458a_100000212172_200000210301 [0,1,0,0,0,0|1,0,0]=2 692 B11R1.166 CC(=O)c1ccc(cc1O)O 271570a_203496583355_100000188348 [0,1,0,0,0,0|1,0,0]=2 693 B11R1.166 CC(=O)c1ccc(cc1O)O 271570a_203496583355_100012340537 [0,1,0,0,0,0|1,0,0]=2 694 B11R1.166 CC(=O)c1ncc(cc1F)O 271570a_203496583355_100000696590 [0,1,0,0,0,0|3,0,0]=4 695 B11R1.166 CN(C)c1ccc(cc1O)F 271570a_203496583355_100012349029 [0,1,0,0,0,0|3,0,0]=4 696 B11R1.166 CN(C)c1ccc(cc1O)N 271570a_203496583355_100011534197 [0,1,0,0,0,0|3,0,0]=4 697 B11R1.166 C[C@@H](N)c1ccc(cc1O)F 271570a_203496583355_100025704064 [0,1,0,0,0,0|2,0,1]=4 698 B11R1.166 Cc1cc(ccc1B(O)O)O 271570a_203496583355_100010074995 [0,1,0,0,0,0|2,0,1]=4 699 B11R1.166 Cc1cc(ccc1C(=O)N)O 271570a_203496583355_100011327924 [0,1,0,0,0,0|2,0,0]=3 700 B11R1.166 Cc1cc(ccc1C(=O)[13CH3])Br 1458a_100000741311_200025704644 [0,1,0,0,0,0|2,0,0]=3 701 B11R1.166 Cc1cc(ccc1C(=O)[13CH3])Cl 1458a_100000688705_200025704644 [0,1,0,0,0,0|2,0,0]=3 702 B11R1.166 Cc1cc(ccc1C(=O)[13CH3])F 1458a_100000686989_200025704644 [0,1,0,0,0,0|2,0,0]=3 703 B11R1.166 Cc1cc(ccc1C(=O)[13CH3])I 1458a_100010189873_200025704644 [0,1,0,0,0,0|2,0,0]=3 704 B11R1.166 Cc1cc(ccc1C(=O)[13CH3])O 1458a_100000692822_200025704644 [0,1,0,0,0,0|2,0,0]=3 705 B11R1.166 Cc1cc(ncc1C(=O)N)O 271570a_203496583355_200134614278 [0,1,0,0,0,0|3,0,0]=4 706 B11R1.166 Cc1ccc(c(c1)Br)C(=O)[13CH3] 1458a_100000685072_200025704644 [0,1,0,0,0,0|2,0,0]=3 707 B11R1.166 Cc1ccc(c(c1)C)C(=O)[13CH3] 1458a_100000211164_200025704644 [0,1,0,0,0,0|2,0,0]=3 708 B11R1.166 Cc1ccc(c(c1)Cl)C(=O)[13CH3] 1458a_100000766932_200025704644 [0,1,0,0,0,0|2,0,0]=3 709 B11R1.166 Cc1ccc(c(c1)F)C(=O)[13CH3] 1458a_100000766033_200025704644 [0,1,0,0,0,0|2,0,0]=3 710 B11R1.166 Cc1ccc(c(c1)I)C(=O)[13CH3] 1458a_100009999607_200025704644 [0,1,0,0,0,0|2,0,0]=3 711 B11R1.166 Cc1ccc(c(c1)O)B(O)O 271570a_203496583355_200011068827 [0,1,0,0,0,0|1,0,1]=3 712 B11R1.166 Cc1ccc(c(c1)O)C(=O)[13CH3] 1458a_100000212137_200025704644 [0,1,0,0,0,0|1,0,0]=2 713 B11R1.166 Cc1ccc(c(c1)O)N(C)C 271570a_203496583355_100012353700 [0,1,0,0,0,0|3,0,0]=4 714 B11R1.166 Cc1ccc(c(n1)O)C(=O)N 271570a_203496583355_100000041523 [0,1,0,0,0,0|2,0,0]=3 715 B11R1.166 NC(=O)c1ccc(cc1Br)O 271570a_203496583355_200010146565 [0,1,0,0,0,0|2,0,0]=3 716 B11R1.166 NC(=O)c1ccc(cc1F)O 271570a_203496583355_100000216903 [0,1,0,0,0,0|2,0,0]=3 717 B11R1.166 NC(=O)c1ccc(cc1N)O 271570a_203496583355_100012349972 [0,1,0,0,0,0|2,0,0]=3 718 B11R1.166 NC(=O)c1ccc(cc1O)Br 271570a_203496583355_100009815748 [0,1,0,0,0,0|1,0,0]=2 719 B11R1.166 NC(=O)c1ccc(cc1O)F 271570a_203496583355_100000206404 [0,1,0,0,0,0|1,0,0]=2 720 B11R1.166 NC(=O)c1ccc(cc1O)O 271570a_203496583355_100011550861 [0,1,0,0,0,0|1,0,0]=2 721 B11R1.166 NC(=O)c1ccc(nc1N)O 271570a_203496583355_100009875182 [0,1,0,0,0,0|3,0,0]=4 722 B11R1.166 NC(=O)c1ncc(cc1F)O 271570a_203496583355_200010161073 [0,1,0,0,0,0|3,0,0]=4 723 B11R1.166 NC(=O)c1ncc(cc1N)O 271570a_203496583355_100010235749 [0,1,0,0,0,0|3,0,0]=4 724 B11R1.166 OB(O)c1ccc(cc1F)O 271570a_203496583355_100009813958 [0,1,0,0,0,0|2,0,1]=4 725 B11R1.166 OB(O)c1ccc(cc1O)F 271570a_203496583355_100010175514 [0,1,0,0,0,0|1,0,1]=3 726 B11R1.166 OB(O)c1ccc(cc1O)O 271570a_203496583355_100010158982 [0,1,0,0,0,0|1,0,1]=3 727 B11R1.166 Oc1cc(ccc1C(F)F)F 271570a_203496583355_100010169823 [0,1,0,0,0,0|2,0,1]=4 728 B11R1.166 [13CH3]C(=O)c1ccc(cc1Br)Br 1458a_100000762965_200025704644 [0,1,0,0,0,0|2,0,0]=3 729 B11R1.166 [13CH3]C(=O)c1ccc(cc1Br)Cl 1458a_100000766353_200025704644 [0,1,0,0,0,0|2,0,0]=3 730 B11R1.166 [13CH3]C(=O)c1ccc(cc1Br)F 1458a_100000212304_200025704644 [0,1,0,0,0,0|2,0,0]=3 731 B11R1.166 [13CH3]C(=O)c1ccc(cc1Br)I 1458a_100012360512_200025704644 [0,1,0,0,0,0|2,0,0]=3 732 B11R1.166 [13CH3]C(=O)c1ccc(cc1Br)O 1458a_100012344906_200025704644 [0,1,0,0,0,0|2,0,0]=3 733 B11R1.166 [13CH3]C(=O)c1ccc(cc1Cl)Br 1458a_100000741628_200025704644 [0,1,0,0,0,0|2,0,0]=3 734 B11R1.166 [13CH3]C(=O)c1ccc(cc1Cl)Cl 1458a_100000185840_200025704644 [0,1,0,0,0,0|2,0,0]=3 735 B11R1.166 [13CH3]C(=O)c1ccc(cc1Cl)F 1458a_100000211397_200025704644 [0,1,0,0,0,0|2,0,0]=3 736 B11R1.166 [13CH3]C(=O)c1ccc(cc1Cl)I 1458a_100000751301_200025704644 [0,1,0,0,0,0|2,0,0]=3 737 B11R1.166 [13CH3]C(=O)c1ccc(cc1Cl)O 1458a_100000702456_200025704644 [0,1,0,0,0,0|2,0,0]=3 738 B11R1.166 [13CH3]C(=O)c1ccc(cc1F)Br 1458a_100000214689_200025704644 [0,1,0,0,0,0|2,0,0]=3 739 B11R1.166 [13CH3]C(=O)c1ccc(cc1F)Cl 1458a_100000212326_200025704644 [0,1,0,0,0,0|2,0,0]=3 740 B11R1.166 [13CH3]C(=O)c1ccc(cc1F)F 1458a_100000211022_200025704644 [0,1,0,0,0,0|2,0,0]=3 741 B11R1.166 [13CH3]C(=O)c1ccc(cc1F)I 1458a_100000037189_200025704644 [0,1,0,0,0,0|2,0,0]=3 742 B11R1.166 [13CH3]C(=O)c1ccc(cc1F)O 1458a_100000689029_200025704644 [0,1,0,0,0,0|2,0,0]=3 743 B11R1.166 [13CH3]C(=O)c1ccc(cc1I)Br 1458a_100000751167_200025704644 [0,1,0,0,0,0|2,0,0]=3 744 B11R1.166 [13CH3]C(=O)c1ccc(cc1I)Cl 1458a_100000739380_200025704644 [0,1,0,0,0,0|2,0,0]=3 745 B11R1.166 [13CH3]C(=O)c1ccc(cc1I)F 1458a_100000739341_200025704644 [0,1,0,0,0,0|2,0,0]=3 746 B11R1.166 [13CH3]C(=O)c1ccc(cc1O)Br 1458a_100000744433_200025704644 [0,1,0,0,0,0|1,0,0]=2 747 B11R1.166 [13CH3]C(=O)c1ccc(cc1O)Cl 1458a_100000188622_200025704644 [0,1,0,0,0,0|1,0,0]=2 748 B11R1.166 [13CH3]C(=O)c1ccc(cc1O)F 1458a_100000746061_200025704644 [0,1,0,0,0,0|1,0,0]=2 749 B11R1.166 [13CH3]C(=O)c1ccc(cc1O)I 1458a_100000091984_200025704644 [0,1,0,0,0,0|1,0,0]=2 750 B11R1.166 [13CH3]C(=O)c1ccc(cc1O)O 1458a_100000212172_200025704644 [0,1,0,0,0,0|1,0,0]=2 751 B11R1.167 C=C(C)c1cc(ccc1Br)Br 271570a_100000694244_100011483371 [0,1,0,0,0,0|3,0,0]=4 752 B11R1.167 C=C(C)c1cc(ccc1Br)C 271570a_100000694244_100012353751 [0,1,0,0,0,0|3,0,0]=4 753 B11R1.167 C=C(C)c1cc(ccc1Br)Cl 271570a_100000694244_100012339723 [0,1,0,0,0,0|3,0,0]=4 754 B11R1.167 C=C(C)c1cc(ccc1Br)F 271570a_100000694244_100011217576 [0,1,0,0,0,0|3,0,0]=4 755 B11R1.167 C=C(C)c1cc(ccc1Br)N 271570a_100000694244_100000750459 [0,1,0,0,0,0|3,0,0]=4 756 B11R1.167 C=C(C)c1cc(ccc1Br)O 271570a_100000694244_100012339312 [0,1,0,0,0,0|3,0,0]=4 757 B11R1.167 C=C(C)c1cc(ccc1C)Br 271570a_100000694244_100011344865 [0,1,0,0,0,0|3,0,0]=4 758 B11R1.167 C=C(C)c1cc(ccc1C)C 271570a_100000694244_100000210833 [0,1,0,0,0,0|3,0,0]=4 759 B11R1.167 C=C(C)c1cc(ccc1C)Cl 271570a_100000694244_100011263213 [0,1,0,0,0,0|3,0,0]=4 760 B11R1.167 C=C(C)c1cc(ccc1C)F 271570a_100000694244_100011218078 [0,1,0,0,0,0|3,0,0]=4 761 B11R1.167 C=C(C)c1cc(ccc1C)N 271570a_100000694244_100000736455 [0,1,0,0,0,0|3,0,0]=4 762 B11R1.167 C=C(C)c1cc(ccc1C)O 271570a_100000694244_100011380479 [0,1,0,0,0,0|3,0,0]=4 763 B11R1.167 C=C(C)c1cc(ccc1Cl)Br 271570a_100000694244_100011772130 [0,1,0,0,0,0|3,0,0]=4 764 B11R1.167 C=C(C)c1cc(ccc1Cl)C 271570a_100000694244_100012356289 [0,1,0,0,0,0|3,0,0]=4 765 B11R1.167 C=C(C)c1cc(ccc1Cl)Cl 271570a_100000694244_100000707729 [0,1,0,0,0,0|3,0,0]=4 766 B11R1.167 C=C(C)c1cc(ccc1Cl)F 271570a_100000694244_100011217299 [0,1,0,0,0,0|3,0,0]=4 767 B11R1.167 C=C(C)c1cc(ccc1Cl)N 271570a_100000694244_100012360549 [0,1,0,0,0,0|3,0,0]=4 768 B11R1.167 C=C(C)c1cc(ccc1Cl)O 271570a_100000694244_100000049588 [0,1,0,0,0,0|3,0,0]=4 769 B11R1.167 C=C(C)c1cc(ccc1F)Br 271570a_100000694244_100011217312 [0,1,0,0,0,0|3,0,0]=4 770 B11R1.167 C=C(C)c1cc(ccc1F)C 271570a_100000694244_100000736223 [0,1,0,0,0,0|3,0,0]=4 771 B11R1.167 C=C(C)c1cc(ccc1F)Cl 271570a_100000694244_100011218116 [0,1,0,0,0,0|3,0,0]=4 772 B11R1.167 C=C(C)c1cc(ccc1F)F 271570a_100000694244_100000750033 [0,1,0,0,0,0|3,0,0]=4 773 B11R1.167 C=C(C)c1cc(ccc1F)N 271570a_100000694244_100000760356 [0,1,0,0,0,0|3,0,0]=4 774 B11R1.167 C=C(C)c1cc(ccc1F)O 271570a_100000694244_100000693481 [0,1,0,0,0,0|3,0,0]=4 775 B11R1.167 C=C(C)c1cc(ccc1N)Br 271570a_100000694244_100000187925 [0,1,0,0,0,0|3,0,0]=4 776 B11R1.167 C=C(C)c1cc(ccc1N)C 271570a_100000694244_100000210942 [0,1,0,0,0,0|3,0,0]=4 777 B11R1.167 C=C(C)c1cc(ccc1N)Cl 271570a_100000694244_100000761889 [0,1,0,0,0,0|3,0,0]=4 778 B11R1.167 C=C(C)c1cc(ccc1N)F 271570a_100000694244_100000760547 [0,1,0,0,0,0|3,0,0]=4 779 B11R1.167 C=C(C)c1cc(ccc1N)N 271570a_100000694244_100011534242 [0,1,0,0,0,0|3,0,0]=4 780 B11R1.167 C=C(C)c1cc(ccc1N)O 271570a_100000694244_100012001276 [0,1,0,0,0,0|3,0,0]=4 781 B11R1.167 C=C(C)c1cc(ccc1O)Br 271570a_100000694244_100012355227 [0,1,0,0,0,0|2,0,0]=3 782 B11R1.167 C=C(C)c1cc(ccc1O)C 271570a_100000694244_100000765521 [0,1,0,0,0,0|2,0,0]=3 783 B11R1.167 C=C(C)c1cc(ccc1O)Cl 271570a_100000694244_100011356953 [0,1,0,0,0,0|2,0,0]=3 784 B11R1.167 C=C(C)c1cc(ccc1O)F 271570a_100000694244_100000211999 [0,1,0,0,0,0|2,0,0]=3 785 B11R1.167 C=C(C)c1cc(ccc1O)N 271570a_100000694244_100011534360 [0,1,0,0,0,0|2,0,0]=3 786 B11R1.167 C=C(C)c1cc(ccc1O)O 271570a_100000694244_100009813629 [0,1,0,0,0,0|2,0,0]=3 787 B11R1.167 C=C(C)c1cc(cnc1O)Br 271570a_100000694244_100010197142 [0,1,0,0,0,0|3,0,0]=4 788 B11R1.167 C=C(C)c1cc(cnc1O)C 271570a_100000694244_100000049931 [0,1,0,0,0,0|3,0,0]=4 789 B11R1.167 C=C(C)c1cc(cnc1O)Cl 271570a_100000694244_100010188700 [0,1,0,0,0,0|3,0,0]=4 790 B11R1.167 C=C(C)c1cc(ncc1O)C 271570a_100000694244_100009843476 [0,1,0,0,0,0|3,0,0]=4 791 B11R1.167 C=C(C)c1cc(ncc1O)Cl 271570a_100000694244_100000698892 [0,1,0,0,0,0|3,0,0]=4 792 B11R1.167 C=C(C)c1nc(ccc1O)Br 271570a_100000694244_100010253912 [0,1,0,0,0,0|3,0,0]=4 793 B11R1.167 C=C(C)c1nc(ccc1O)C 271570a_100000694244_100000702858 [0,1,0,0,0,0|3,0,0]=4 794 B11R1.167 C=C(C)c1nc(ccc1O)Cl 271570a_100000694244_100000696390 [0,1,0,0,0,0|3,0,0]=4 795 B11R1.167 C=C(C)c1nc(ccc1O)F 271570a_100000694244_100010382442 [0,1,0,0,0,0|3,0,0]=4 796 B11R1.167 CC(=O)c1cc(ccc1Br)Br 1458a_100000690610_200000210301 [0,1,0,0,0,0|2,0,0]=3 797 B11R1.167 CC(=O)c1cc(ccc1Br)C 1458a_100000689033_200000210301 [0,1,0,0,0,0|2,0,0]=3 798 B11R1.167 CC(=O)c1cc(ccc1Br)Cl 1458a_100000736951_200000210301 [0,1,0,0,0,0|2,0,0]=3 799 B11R1.167 CC(=O)c1cc(ccc1Br)F 1458a_100000212315_200000210301 [0,1,0,0,0,0|2,0,0]=3 800 B11R1.167 CC(=O)c1cc(ccc1Br)I 1458a_100000698340_200000210301 [0,1,0,0,0,0|2,0,0]=3 801 B11R1.167 CC(=O)c1cc(ccc1Br)O 1458a_100012352043_200000210301 [0,1,0,0,0,0|2,0,0]=3 802 B11R1.167 CC(=O)c1cc(ccc1C)Br 1458a_100000759961_200000210301 [0,1,0,0,0,0|2,0,0]=3 803 B11R1.167 CC(=O)c1cc(ccc1C)C 1458a_100000195421_200000210301 [0,1,0,0,0,0|2,0,0]=3 804 B11R1.167 CC(=O)c1cc(ccc1C)Cl 1458a_100000692595_200000210301 [0,1,0,0,0,0|2,0,0]=3 805 B11R1.167 CC(=O)c1cc(ccc1C)F 1458a_100000240043_200000210301 [0,1,0,0,0,0|2,0,0]=3 806 B11R1.167 CC(=O)c1cc(ccc1C)I 1458a_100000688012_200000210301 [0,1,0,0,0,0|2,0,0]=3 807 B11R1.167 CC(=O)c1cc(ccc1C)O 1458a_100000687834_200000210301 [0,1,0,0,0,0|2,0,0]=3 808 B11R1.167 CC(=O)c1cc(ccc1C)O 271570a_203496583355_100012706819 [0,1,0,0,0,0|2,0,0]=3 809 B11R1.167 CC(=O)c1cc(ccc1Cl)Br 1458a_100000211212_200000210301 [0,1,0,0,0,0|2,0,0]=3 810 B11R1.167 CC(=O)c1cc(ccc1Cl)C 1458a_100011290873_200000210301 [0,1,0,0,0,0|2,0,0]=3 811 B11R1.167 CC(=O)c1cc(ccc1Cl)Cl 1458a_100000210642_200000210301 [0,1,0,0,0,0|2,0,0]=3 812 B11R1.167 CC(=O)c1cc(ccc1Cl)F 1458a_100011219680_200000210301 [0,1,0,0,0,0|2,0,0]=3 813 B11R1.167 CC(=O)c1cc(ccc1Cl)I 1458a_100000688013_200000210301 [0,1,0,0,0,0|2,0,0]=3 814 B11R1.167 CC(=O)c1cc(ccc1Cl)O 1458a_100000719527_200000210301 [0,1,0,0,0,0|2,0,0]=3 815 B11R1.167 CC(=O)c1cc(ccc1Cl)O 271570a_203496583355_100010712560 [0,1,0,0,0,0|2,0,0]=3 816 B11R1.167 CC(=O)c1cc(ccc1F)Br 1458a_100000212322_200000210301 [0,1,0,0,0,0|2,0,0]=3 817 B11R1.167 CC(=O)c1cc(ccc1F)C 1458a_100000749327_200000210301 [0,1,0,0,0,0|2,0,0]=3 818 B11R1.167 CC(=O)c1cc(ccc1F)Cl 1458a_100000214954_200000210301 [0,1,0,0,0,0|2,0,0]=3 819 B11R1.167 CC(=O)c1cc(ccc1F)F 1458a_100000198512_200000210301 [0,1,0,0,0,0|2,0,0]=3 820 B11R1.167 CC(=O)c1cc(ccc1F)I 1458a_100000688014_200000210301 [0,1,0,0,0,0|2,0,0]=3 821 B11R1.167 CC(=O)c1cc(ccc1F)O 1458a_100000037260_200000210301 [0,1,0,0,0,0|2,0,0]=3 822 B11R1.167 CC(=O)c1cc(ccc1F)O 271570a_203496583355_100000689017 [0,1,0,0,0,0|2,0,0]=3 823 B11R1.167 CC(=O)c1cc(ccc1I)Br 1458a_100000183945_200000210301 [0,1,0,0,0,0|2,0,0]=3 824 B11R1.167 CC(=O)c1cc(ccc1I)C 1458a_100000057929_200000210301 [0,1,0,0,0,0|2,0,0]=3 825 B11R1.167 CC(=O)c1cc(ccc1I)Cl 1458a_100000739379_200000210301 [0,1,0,0,0,0|2,0,0]=3 826 B11R1.167 CC(=O)c1cc(ccc1I)F 1458a_100000748905_200000210301 [0,1,0,0,0,0|2,0,0]=3 827 B11R1.167 CC(=O)c1cc(ccc1I)I 1458a_100000750460_200000210301 [0,1,0,0,0,0|2,0,0]=3 828 B11R1.167 CC(=O)c1cc(ccc1I)O 1458a_200009995701_200000210301 [0,1,0,0,0,0|2,0,0]=3 829 B11R1.167 CC(=O)c1cc(ccc1N)O 271570a_203496583355_100000695420 [0,1,0,0,0,0|2,0,0]=3 830 B11R1.167 CC(=O)c1cc(ccc1O)Br 1458a_100000212140_200000210301 [0,1,0,0,0,0|1,0,0]=2 831 B11R1.167 CC(=O)c1cc(ccc1O)Br 271570a_203496583355_100012349576 [0,1,0,0,0,0|1,0,0]=2 832 B11R1.167 CC(=O)c1cc(ccc1O)C 1458a_100000229998_200000210301 [0,1,0,0,0,0|1,0,0]=2 833 B11R1.167 CC(=O)c1cc(ccc1O)C 271570a_203496583355_100012361225 [0,1,0,0,0,0|1,0,0]=2 834 B11R1.167 CC(=O)c1cc(ccc1O)Cl 1458a_100000212143_200000210301 [0,1,0,0,0,0|1,0,0]=2 835 B11R1.167 CC(=O)c1cc(ccc1O)F 1458a_100000742286_200000210301 [0,1,0,0,0,0|1,0,0]=2 836 B11R1.167 CC(=O)c1cc(ccc1O)F 271570a_203496583355_100012353695 [0,1,0,0,0,0|1,0,0]=2 837 B11R1.167 CC(=O)c1cc(ccc1O)I 1458a_100000212111_200000210301 [0,1,0,0,0,0|1,0,0]=2 838 B11R1.167 CC(=O)c1cc(ccc1O)N 271570a_203496583355_100012349454 [0,1,0,0,0,0|1,0,0]=2 839 B11R1.167 CC(=O)c1cc(ccc1O)O 1458a_100000758025_200000210301 [0,1,0,0,0,0|1,0,0]=2 840 B11R1.167 CC(=O)c1cc(ccc1O)O 271570a_203496583355_100000212127 [0,1,0,0,0,0|1,0,0]=2 841 B11R1.167 CC(=O)c1cc(cnc1C)O 271570a_203496583355_100138557192 [0,1,0,0,0,0|3,0,0]=4 842 B11R1.167 CC(=O)c1cc(cnc1F)O 271570a_203496583355_100010254234 [0,1,0,0,0,0|3,0,0]=4 843 B11R1.167 CC(=O)c1cc(cnc1N)O 271570a_203496583355_100010173950 [0,1,0,0,0,0|3,0,0]=4 844 B11R1.167 CC(=O)c1cc(cnc1O)F 271570a_203496583355_100000118324 [0,1,0,0,0,0|2,0,0]=3 845 B11R1.167 CC(=O)c1cc(ncc1F)O 271570a_203496583355_100000697832 [0,1,0,0,0,0|3,0,0]=4 846 B11R1.167 CC(=O)c1nc(ccc1F)O 271570a_203496583355_100009887703 [0,1,0,0,0,0|3,0,0]=4 847 B11R1.167 CC(C)c1cc(ccc1O)Br 271570a_203496583355_100010244561 [0,1,0,0,0,0|2,0,1]=4 848 B11R1.167 CC(C)c1cc(ccc1O)O 271570a_203496583355_100000691460 [0,1,0,0,0,0|2,0,1]=4 849 B11R1.167 CC(N)c1cc(ccc1O)F 271570a_203496583355_100012343209 [0,1,0,0,0,0|2,0,1]=4 850 B11R1.167 CC(O)c1cc(ccc1F)O 271570a_203496583355_100011943926 [0,1,0,0,0,0|2,0,1]=4 851 B11R1.167 CN(C)c1cc(ccc1O)O 271570a_203496583355_200010083878 [0,1,0,0,0,0|3,0,0]=4 852 B11R1.167 C[C@H](O)c1cc(ccc1O)F 271570a_203496583355_100134768474 [0,1,0,0,0,0|1,0,1]=3 853 B11R1.167 Cc1ccc(c(c1)B(O)O)O 271570a_203496583355_200010883979 [0,1,0,0,0,0|1,0,1]=3 854 B11R1.167 Cc1ccc(c(c1)C(=O)N)O 271570a_203496583355_200012349609 [0,1,0,0,0,0|1,0,0]=2 855 B11R1.167 Cc1ccc(c(c1)C(=O)[13CH3])Br 1458a_100000689033_200025704644 [0,1,0,0,0,0|2,0,0]=3 856 B11R1.167 Cc1ccc(c(c1)C(=O)[13CH3])C 1458a_100000195421_200025704644 [0,1,0,0,0,0|2,0,0]=3 857 B11R1.167 Cc1ccc(c(c1)C(=O)[13CH3])Cl 1458a_100011290873_200025704644 [0,1,0,0,0,0|2,0,0]=3 858 B11R1.167 Cc1ccc(c(c1)C(=O)[13CH3])F 1458a_100000749327_200025704644 [0,1,0,0,0,0|2,0,0]=3 859 B11R1.167 Cc1ccc(c(c1)C(=O)[13CH3])I 1458a_100000057929_200025704644 [0,1,0,0,0,0|2,0,0]=3 860 B11R1.167 Cc1ccc(c(c1)C(=O)[13CH3])O 1458a_100000229998_200025704644 [0,1,0,0,0,0|1,0,0]=2 861 B11R1.167 Cc1ccc(cc1B(O)O)O 271570a_203496583355_100010223188 [0,1,0,0,0,0|2,0,1]=4 862 B11R1.167 Cc1ccc(cc1C(=O)N)O 271570a_203496583355_100012257281 [0,1,0,0,0,0|2,0,0]=3 863 B11R1.167 Cc1ccc(cc1C(=O)[13CH3])Br 1458a_100000759961_200025704644 [0,1,0,0,0,0|2,0,0]=3 864 B11R1.167 Cc1ccc(cc1C(=O)[13CH3])Cl 1458a_100000692595_200025704644 [0,1,0,0,0,0|2,0,0]=3 865 B11R1.167 Cc1ccc(cc1C(=O)[13CH3])F 1458a_100000240043_200025704644 [0,1,0,0,0,0|2,0,0]=3 866 B11R1.167 Cc1ccc(cc1C(=O)[13CH3])I 1458a_100000688012_200025704644 [0,1,0,0,0,0|2,0,0]=3 867 B11R1.167 Cc1ccc(cc1C(=O)[13CH3])O 1458a_100000687834_200025704644 [0,1,0,0,0,0|2,0,0]=3 868 B11R1.167 Cc1cnc(c(c1)B(O)O)O 271570a_203496583355_200000049436 [0,1,0,0,0,0|2,0,1]=4 869 B11R1.167 NC(=O)c1cc(ccc1F)O 271570a_203496583355_100000162119 [0,1,0,0,0,0|2,0,0]=3 870 B11R1.167 NC(=O)c1cc(ccc1N)O 271570a_203496583355_100000740421 [0,1,0,0,0,0|2,0,0]=3 871 B11R1.167 NC(=O)c1cc(ccc1O)Br 271570a_203496583355_200000162314 [0,1,0,0,0,0|1,0,0]=2 872 B11R1.167 NC(=O)c1cc(ccc1O)F 271570a_203496583355_100000206434 [0,1,0,0,0,0|1,0,0]=2 873 B11R1.167 NC(=O)c1cc(ccc1O)N 271570a_203496583355_100015186447 [0,1,0,0,0,0|1,0,0]=2 874 B11R1.167 NC(=O)c1cc(ccc1O)O 271570a_203496583355_100000192807 [0,1,0,0,0,0|1,0,0]=2 875 B11R1.167 NC(=O)c1cc(cnc1N)O 271570a_203496583355_100000701294 [0,1,0,0,0,0|3,0,0]=4 876 B11R1.167 NC(=O)c1cc(cnc1O)F 271570a_203496583355_100012183597 [0,1,0,0,0,0|2,0,0]=3 877 B11R1.167 NC(=O)c1cc(ncc1F)O 271570a_203496583355_100015943597 [0,1,0,0,0,0|3,0,0]=4 878 B11R1.167 NC(=O)c1cc(ncc1N)O 271570a_203496583355_100012003536 [0,1,0,0,0,0|3,0,0]=4 879 B11R1.167 NC(=O)c1nc(ccc1N)O 271570a_203496583355_100000093116 [0,1,0,0,0,0|3,0,0]=4 880 B11R1.167 NC(=O)c1nc(cnc1O)O 271570a_203496583355_100010272261 [0,1,0,0,0,0|3,0,0]=4 881 B11R1.167 OB(O)c1cc(ccc1Br)O 271570a_203496583355_200010171685 [0,1,0,0,0,0|2,0,1]=4 882 B11R1.167 OB(O)c1cc(ccc1F)O 271570a_203496583355_100011356809 [0,1,0,0,0,0|2,0,1]=4 883 B11R1.167 OB(O)c1cc(ccc1O)F 271570a_203496583355_200009816908 [0,1,0,0,0,0|1,0,1]=3 884 B11R1.167 OB(O)c1cc(ccc1O)O 271570a_203496583355_200009814749 [0,1,0,0,0,0|1,0,1]=3 885 B11R1.167 Oc1ccc(cc1C(F)F)F 271570a_203496583355_100010189890 [0,1,0,0,0,0|2,0,1]=4 886 B11R1.167 [13CH3]C(=O)c1cc(ccc1Br)Br 1458a_100000690610_200025704644 [0,1,0,0,0,0|2,0,0]=3 887 B11R1.167 [13CH3]C(=O)c1cc(ccc1Br)Cl 1458a_100000736951_200025704644 [0,1,0,0,0,0|2,0,0]=3 888 B11R1.167 [13CH3]C(=O)c1cc(ccc1Br)F 1458a_100000212315_200025704644 [0,1,0,0,0,0|2,0,0]=3 889 B11R1.167 [13CH3]C(=O)c1cc(ccc1Br)I 1458a_100000698340_200025704644 [0,1,0,0,0,0|2,0,0]=3 890 B11R1.167 [13CH3]C(=O)c1cc(ccc1Br)O 1458a_100012352043_200025704644 [0,1,0,0,0,0|2,0,0]=3 891 B11R1.167 [13CH3]C(=O)c1cc(ccc1Cl)Br 1458a_100000211212_200025704644 [0,1,0,0,0,0|2,0,0]=3 892 B11R1.167 [13CH3]C(=O)c1cc(ccc1Cl)Cl 1458a_100000210642_200025704644 [0,1,0,0,0,0|2,0,0]=3 893 B11R1.167 [13CH3]C(=O)c1cc(ccc1Cl)F 1458a_100011219680_200025704644 [0,1,0,0,0,0|2,0,0]=3 894 B11R1.167 [13CH3]C(=O)c1cc(ccc1Cl)I 1458a_100000688013_200025704644 [0,1,0,0,0,0|2,0,0]=3 895 B11R1.167 [13CH3]C(=O)c1cc(ccc1Cl)O 1458a_100000719527_200025704644 [0,1,0,0,0,0|2,0,0]=3 896 B11R1.167 [13CH3]C(=O)c1cc(ccc1F)Br 1458a_100000212322_200025704644 [0,1,0,0,0,0|2,0,0]=3 897 B11R1.167 [13CH3]C(=O)c1cc(ccc1F)Cl 1458a_100000214954_200025704644 [0,1,0,0,0,0|2,0,0]=3 898 B11R1.167 [13CH3]C(=O)c1cc(ccc1F)F 1458a_100000198512_200025704644 [0,1,0,0,0,0|2,0,0]=3 899 B11R1.167 [13CH3]C(=O)c1cc(ccc1F)I 1458a_100000688014_200025704644 [0,1,0,0,0,0|2,0,0]=3 900 B11R1.167 [13CH3]C(=O)c1cc(ccc1F)O 1458a_100000037260_200025704644 [0,1,0,0,0,0|2,0,0]=3 901 B11R1.167 [13CH3]C(=O)c1cc(ccc1I)Br 1458a_100000183945_200025704644 [0,1,0,0,0,0|2,0,0]=3 902 B11R1.167 [13CH3]C(=O)c1cc(ccc1I)Cl 1458a_100000739379_200025704644 [0,1,0,0,0,0|2,0,0]=3 903 B11R1.167 [13CH3]C(=O)c1cc(ccc1I)F 1458a_100000748905_200025704644 [0,1,0,0,0,0|2,0,0]=3 904 B11R1.167 [13CH3]C(=O)c1cc(ccc1I)I 1458a_100000750460_200025704644 [0,1,0,0,0,0|2,0,0]=3 905 B11R1.167 [13CH3]C(=O)c1cc(ccc1I)O 1458a_200009995701_200025704644 [0,1,0,0,0,0|2,0,0]=3 906 B11R1.167 [13CH3]C(=O)c1cc(ccc1O)Br 1458a_100000212140_200025704644 [0,1,0,0,0,0|1,0,0]=2 907 B11R1.167 [13CH3]C(=O)c1cc(ccc1O)Cl 1458a_100000212143_200025704644 [0,1,0,0,0,0|1,0,0]=2 908 B11R1.167 [13CH3]C(=O)c1cc(ccc1O)F 1458a_100000742286_200025704644 [0,1,0,0,0,0|1,0,0]=2 909 B11R1.167 [13CH3]C(=O)c1cc(ccc1O)I 1458a_100000212111_200025704644 [0,1,0,0,0,0|1,0,0]=2 910 B11R1.167 [13CH3]C(=O)c1cc(ccc1O)O 1458a_100000758025_200025704644 [0,1,0,0,0,0|1,0,0]=2 911 B11R1.222 CC(C#N)c1ccccc1O 271570a_203496583355_200010232107 [0,1,0,0,0,0|2,0,1]=4 912 B11R1.222 CC(O[13CH3])c1ccccc1Br 34a_100000702211_200025704644 [0,1,0,0,0,0|2,0,1]=4 913 B11R1.222 CC(O[13CH3])c1ccccc1Br 7a_100000702211_200025704644 [0,1,0,0,0,0|2,0,1]=4 914 B11R1.222 CC(O[13CH3])c1ccccc1Cl 34a_100000740796_200025704644 [0,1,0,0,0,0|2,0,1]=4 915 B11R1.222 CC(O[13CH3])c1ccccc1Cl 7a_100000740796_200025704644 [0,1,0,0,0,0|2,0,1]=4 916 B11R1.222 CC(O[13CH3])c1ccccc1F 34a_100000697922_200025704644 [0,1,0,0,0,0|2,0,1]=4 917 B11R1.222 CC(O[13CH3])c1ccccc1F 7a_100000697922_200025704644 [0,1,0,0,0,0|2,0,1]=4 918 B11R1.222 CC(O[13CH3])c1ccccc1N 7a_100011405641_200025704644 [0,1,0,0,0,0|2,0,1]=4 919 B11R1.222 CCC(=O)c1ccccc1Br 1458a_100000188424_100000210202 [0,1,0,0,0,0|2,0,0]=3 920 B11R1.222 CCC(=O)c1ccccc1C 1458a_100000212026_100000210202 [0,1,0,0,0,0|2,0,0]=3 921 B11R1.222 CCC(=O)c1ccccc1Cl 1458a_100000185844_100000210202 [0,1,0,0,0,0|2,0,0]=3 922 B11R1.222 CCC(=O)c1ccccc1F 1458a_100000188656_100000210202 [0,1,0,0,0,0|2,0,0]=3 923 B11R1.222 CCC(=O)c1ccccc1I 1458a_100000187884_100000210202 [0,1,0,0,0,0|2,0,0]=3 924 B11R1.222 CCC(=O)c1ccccc1O 1458a_100015234032_100000210202 [0,1,0,0,0,0|1,0,0]=2 925 B11R1.222 CCC(=O)c1ccccc1[O-] 1458a_100009911694_100000210202 [0,1,0,0,0,0|1,0,1]=3 926 B11R1.222 CCN(C)c1ccccc1O 269982a_100000033821_100000204670 [0,1,0,0,0,0|3,0,0]=4 927 B11R1.222 CCN(C)c1ccccc1O 269982a_103624766699_200000210301 [0,1,0,0,0,0|3,0,0]=4 928 B11R1.222 CCN([13CH3])c1ccccc1O 269982a_103624766699_200025704644 [0,1,0,0,0,0|3,0,0]=4 929 B11R1.222 CN(CF)c1ccccc1O 269982a_100000033821_100015361967 [0,1,0,0,0,0|3,0,0]=4 930 B11R1.222 CNC(=O)c1ccccc1Br 11a_106832991635_100000188424 [0,1,0,0,0,0|2,0,0]=3 931 B11R1.222 CNC(=O)c1ccccc1Br 1626a_100102657272_100000188424 [0,1,0,0,0,0|2,0,0]=3 932 B11R1.222 CNC(=O)c1ccccc1Br 240690a_100102657272_100000188424 [0,1,0,0,0,0|2,0,0]=3 933 B11R1.222 CNC(=O)c1ccccc1Br 527a_100102657272_100000188424 [0,1,0,0,0,0|2,0,0]=3 934 B11R1.222 CNC(=O)c1ccccc1C 11a_106832991635_100000212026 [0,1,0,0,0,0|2,0,0]=3 935 B11R1.222 CNC(=O)c1ccccc1C 1626a_100102657272_100000212026 [0,1,0,0,0,0|2,0,0]=3 936 B11R1.222 CNC(=O)c1ccccc1C 240690a_100102657272_100000212026 [0,1,0,0,0,0|2,0,0]=3 937 B11R1.222 CNC(=O)c1ccccc1C 527a_100102657272_100000212026 [0,1,0,0,0,0|2,0,0]=3 938 B11R1.222 CNC(=O)c1ccccc1Cl 11a_106832991635_100000185844 [0,1,0,0,0,0|2,0,0]=3 939 B11R1.222 CNC(=O)c1ccccc1Cl 1626a_100102657272_100000185844 [0,1,0,0,0,0|2,0,0]=3 940 B11R1.222 CNC(=O)c1ccccc1Cl 240690a_100102657272_100000185844 [0,1,0,0,0,0|2,0,0]=3 941 B11R1.222 CNC(=O)c1ccccc1Cl 527a_100102657272_100000185844 [0,1,0,0,0,0|2,0,0]=3 942 B11R1.222 CNC(=O)c1ccccc1F 11a_106832991635_100000188656 [0,1,0,0,0,0|2,0,0]=3 943 B11R1.222 CNC(=O)c1ccccc1F 1626a_100102657272_100000188656 [0,1,0,0,0,0|2,0,0]=3 944 B11R1.222 CNC(=O)c1ccccc1F 240690a_100102657272_100000188656 [0,1,0,0,0,0|2,0,0]=3 945 B11R1.222 CNC(=O)c1ccccc1F 527a_100102657272_100000188656 [0,1,0,0,0,0|2,0,0]=3 946 B11R1.222 CNC(=O)c1ccccc1I 11a_106832991635_100000187884 [0,1,0,0,0,0|2,0,0]=3 947 B11R1.222 CNC(=O)c1ccccc1I 1626a_100102657272_100000187884 [0,1,0,0,0,0|2,0,0]=3 948 B11R1.222 CNC(=O)c1ccccc1I 240690a_100102657272_100000187884 [0,1,0,0,0,0|2,0,0]=3 949 B11R1.222 CNC(=O)c1ccccc1I 527a_100102657272_100000187884 [0,1,0,0,0,0|2,0,0]=3 950 B11R1.222 CNC(=O)c1ccccc1O 240690a_100102657272_100015234032 [0,1,0,0,0,0|1,0,0]=2 951 B11R1.222 CNC(=O)c1ccccc1O 271570a_203496583355_100000155073 [0,1,0,0,0,0|1,0,0]=2 952 B11R1.222 CNC(=O)c1ccccc1[O-] 1626a_100102657272_100009911694 [0,1,0,0,0,0|1,0,1]=3 953 B11R1.222 CNC(=O)c1ccccc1[O-] 240690a_100102657272_100009911694 [0,1,0,0,0,0|1,0,1]=3 954 B11R1.222 CNC(=O)c1ccccc1[O-] 527a_100102657272_100009911694 [0,1,0,0,0,0|1,0,1]=3 955 B11R1.222 CNC(=O)c1cccnc1O 271570a_203496583355_100000159833 [0,1,0,0,0,0|2,0,0]=3 956 B11R1.222 CNC(C)c1ccccc1O 271570a_203496583355_100000692418 [0,1,0,0,0,0|2,0,1]=4 957 B11R1.222 CN[C@H](C)c1ccccc1O 2230a_100025703389_200000210301 [0,1,0,0,0,0|2,0,1]=4 958 B11R1.222 COC(=O)c1ccccc1O 271570a_203496583355_100000148710 [0,1,0,0,0,0|0,0,0]=1 959 B11R1.222 COC(=O)c1cccnc1O 271570a_203496583355_100000150852 [0,1,0,0,0,0|1,0,0]=2 960 B11R1.222 COC(=O)c1ccncc1O 271570a_203496583355_100010008606 [0,1,0,0,0,0|1,0,0]=2 961 B11R1.222 COC(=O)c1cnccc1O 271570a_203496583355_100020629055 [0,1,0,0,0,0|1,0,0]=2 962 B11R1.222 COC(=O)c1cncnc1O 271570a_203496583355_100000726419 [0,1,0,0,0,0|2,0,0]=3 963 B11R1.222 COC(=O)c1ncccc1O 271570a_203496583355_100011935214 [0,1,0,0,0,0|1,0,0]=2 964 B11R1.222 COC(=O)c1nccnc1O 271570a_203496583355_100000688410 [0,1,0,0,0,0|2,0,0]=3 965 B11R1.222 COC(=O)c1ncncc1O 271570a_203496583355_100012360100 [0,1,0,0,0,0|2,0,0]=3 966 B11R1.222 COC(C)c1ccccc1Br 34a_100000702211_200000210301 [0,1,0,0,0,0|2,0,1]=4 967 B11R1.222 COC(C)c1ccccc1Br 7a_100000702211_200000210301 [0,1,0,0,0,0|2,0,1]=4 968 B11R1.222 COC(C)c1ccccc1C 34a_100000742021_200000210301 [0,1,0,0,0,0|2,0,1]=4 969 B11R1.222 COC(C)c1ccccc1C 7a_100000742021_200000210301 [0,1,0,0,0,0|2,0,1]=4 970 B11R1.222 COC(C)c1ccccc1Cl 34a_100000740796_200000210301 [0,1,0,0,0,0|2,0,1]=4 971 B11R1.222 COC(C)c1ccccc1Cl 7a_100000740796_200000210301 [0,1,0,0,0,0|2,0,1]=4 972 B11R1.222 COC(C)c1ccccc1F 34a_100000697922_200000210301 [0,1,0,0,0,0|2,0,1]=4 973 B11R1.222 COC(C)c1ccccc1F 34a_100138415774_200000741388 [0,1,0,0,0,0|2,0,1]=4 974 B11R1.222 COC(C)c1ccccc1F 7a_100000697922_200000210301 [0,1,0,0,0,0|2,0,1]=4 975 B11R1.222 COC(C)c1ccccc1N 7a_100011405641_200000210301 [0,1,0,0,0,0|2,0,1]=4 976 B11R1.222 CO[C@@H](C)c1ncccc1O 271570a_203496583355_106256553109 [0,1,0,0,0,0|2,0,1]=4 977 B11R1.222 C[C@@H](N[13CH3])c1ccccc1O 2230a_100025703389_200025704644 [0,1,0,0,0,0|2,0,1]=4 978 B11R1.222 Cc1ccccc1C(=O)CF 1458a_100000212026_100015361967 [0,1,0,0,0,0|2,0,0]=3 979 B11R1.222 Cc1ccccc1C(C)O[13CH3] 34a_100000742021_200025704644 [0,1,0,0,0,0|2,0,1]=4 980 B11R1.222 Cc1ccccc1C(C)O[13CH3] 7a_100000742021_200025704644 [0,1,0,0,0,0|2,0,1]=4 981 B11R1.222 NCC(O)c1ccccc1O 271570a_203496583355_100011236429 [0,1,0,0,0,0|1,0,1]=3 982 B11R1.222 NNC(=O)c1ccccc1O 271570a_203496583355_100000190081 [0,1,0,0,0,0|1,0,0]=2 983 B11R1.222 N[C@H](CO)c1ccccc1O 271570a_203496583355_100161155918 [0,1,0,0,0,0|1,0,1]=3 984 B11R1.222 O=C(CF)c1ccccc1Br 1458a_100000188424_100015361967 [0,1,0,0,0,0|2,0,0]=3 985 B11R1.222 O=C(CF)c1ccccc1Cl 1458a_100000185844_100015361967 [0,1,0,0,0,0|2,0,0]=3 986 B11R1.222 O=C(CF)c1ccccc1F 1458a_100000188656_100015361967 [0,1,0,0,0,0|2,0,0]=3 987 B11R1.222 O=C(CF)c1ccccc1I 1458a_100000187884_100015361967 [0,1,0,0,0,0|2,0,0]=3 988 B11R1.222 O=C(CF)c1ccccc1O 1458a_100015234032_100015361967 [0,1,0,0,0,0|1,0,0]=2 989 B11R1.222 O=C(CF)c1ccccc1[O-] 1458a_100009911694_100015361967 [0,1,0,0,0,0|1,0,1]=3 990 B9R0.4 C=CC=CC(=O)CC(=O)N 1458a_100016291481_100000187820 [0,0,1,0,0,0|1,0,2]=4 991 B9R0.4 C=CC=CC(=O)CC(=O)[O-] 1458a_100016291481_100020667443 [0,0,1,0,0,0|0,0,3]=4 992 B11R2.1 Oc1c[nH]c2c1cccn2 271570a_203496583355_100011934613 [0,0,0,1,0,0|3,0,0]=4 993 B11R2.1 Oc1c[nH]c2c1ccnc2 271570a_203496583355_100010232032 [0,0,0,1,0,0|3,0,0]=4 994 B11R2.1 Oc1c[nH]c2c1cncc2 271570a_203496583355_100011934843 [0,0,0,1,0,0|3,0,0]=4 995 B11R2.1 Oc1c[nH]c2c1nccc2 271570a_203496583355_100009817151 [0,0,0,1,0,0|3,0,0]=4 996 B11R2.1 Oc1cnc2n1cccc2 271570a_203496583355_100011219245 [0,0,0,1,0,0|3,0,0]=4 997 B11R2.1 Oc1cnn2c1cccc2 271570a_203496583355_100009817726 [0,0,0,1,0,0|3,0,0]=4 998 B11R2.1 Oc1coc2c1cccc2 271570a_203496583355_100009812202 [0,0,0,1,0,0|1,0,0]=2 999 B11R2.1 Oc1coc2c1nccc2 271570a_203496583355_100009889148 [0,0,0,1,0,0|2,0,0]=3 1000 B11R2.1 Oc1csc2c1cccc2 271570a_203496583355_100009813928 [0,0,0,1,0,0|1,1,0]=3 1001 B11R2.1 Oc1csc2c1cccn2 271570a_203496583355_100009830249 [0,0,0,1,0,0|2,1,0]=4 1002 B11R2.1 Oc1csc2c1ccnc2 271570a_203496583355_100009817111 [0,0,0,1,0,0|2,1,0]=4 1003 B11R2.1 Oc1csc2c1cncc2 271570a_203496583355_100010247091 [0,0,0,1,0,0|2,1,0]=4 1004 B11R2.1 Oc1csc2c1nccc2 271570a_203496583355_100010247092 [0,0,0,1,0,0|2,1,0]=4 1005 B11R2.1 Oc1n[nH]c2c1cccc2 271570a_203496583355_100000050141 [0,0,0,1,0,0|2,0,0]=3 1006 B11R2.1 Oc1n[nH]c2c1cccn2 271570a_203496583355_100009888962 [0,0,0,1,0,0|3,0,0]=4 1007 B11R2.1 Oc1n[nH]c2c1ccnc2 271570a_203496583355_100010244369 [0,0,0,1,0,0|3,0,0]=4 1008 B11R2.1 Oc1n[nH]c2c1cncc2 271570a_203496583355_100010724670 [0,0,0,1,0,0|3,0,0]=4 1009 B11R2.1 Oc1n[nH]c2c1nccc2 271570a_203496583355_100009817118 [0,0,0,1,0,0|3,0,0]=4 1010 B11R2.1 Oc1ncn2c1cccc2 271570a_203496583355_100000688344 [0,0,0,1,0,0|3,0,0]=4 1011 B11R2.1 Oc1nnc2n1cccc2 271570a_203496583355_100000699609 [0,0,0,1,0,0|3,0,0]=4 1012 B11R2.55 Oc1ccccc1C2CC2 271570a_100011220607_100000739446 [0,0,0,1,0,0|2,0,1]=4 1013 B11R2.55 Oc1ccccc1C2CC2 271570a_203496583355_100009819954 [0,0,0,1,0,0|2,0,1]=4 1014 B9R1.41 CC(=O)c1sccc1O 271570a_203496583355_100000738688 [0,0,0,0,1,0|2,0,0]=3 1015 B9R1.41 CC(=O)c1scnc1O 271570a_203496583355_200010339033 [0,0,0,0,1,0|3,0,0]=4 1016 B9R1.41 NC(=O)c1[nH]ncc1O 271570a_203496583355_200009820792 [0,0,0,0,1,0|3,0,0]=4 1017 B9R1.41 NC(=O)c1cscc1O 271570a_203496583355_100009817205 [0,0,0,0,1,0|2,0,0]=3 1018 B11R1.86 CC(=Cc1ccccc1Br)C 271570a_100102525489_100000695589 [0,0,0,0,0,1|3,0,0]=4 1019 B11R1.86 CC(=Cc1ccccc1C)C 271570a_100102525489_100000210755 [0,0,0,0,0,1|3,0,0]=4 1020 B11R1.86 CC(=Cc1ccccc1Cl)C 271570a_100102525489_100000764095 [0,0,0,0,0,1|3,0,0]=4 1021 B11R1.86 CC(=Cc1ccccc1F)C 271570a_100102525489_100011215700 [0,0,0,0,0,1|3,0,0]=4 1022 B11R1.86 CC(=Cc1ccccc1N)C 271570a_100102525489_100000210017 [0,0,0,0,0,1|3,0,0]=4 1023 B11R1.86 CC(=Cc1ccccc1O)C 271570a_100102525489_100000739446 [0,0,0,0,0,1|2,0,0]=3 1024 B11R1.86 CC(=Cc1ccncc1O)C 271570a_100102525489_100009817591 [0,0,0,0,0,1|3,0,0]=4 1025 B11R1.86 CC(=Cc1ncccc1O)C 271570a_100102525489_100000034122 [0,0,0,0,0,1|3,0,0]=4 1026 B11R1.86 CC(=O)Cc1ccccc1Br 1458a_100000070787_100000184730 [0,0,0,0,0,1|2,0,0]=3 1027 B11R1.86 CC(=O)Cc1ccccc1Br 1458a_100000751119_200000210301 [0,0,0,0,0,1|2,0,0]=3 1028 B11R1.86 CC(=O)Cc1ccccc1C 1458a_100000070787_100000211839 [0,0,0,0,0,1|2,0,0]=3 1029 B11R1.86 CC(=O)Cc1ccccc1C 1458a_100000212180_200000210301 [0,0,0,0,0,1|2,0,0]=3 1030 B11R1.86 CC(=O)Cc1ccccc1Cl 1458a_100000070787_100000187162 [0,0,0,0,0,1|2,0,0]=3 1031 B11R1.86 CC(=O)Cc1ccccc1Cl 1458a_100000183793_200000210301 [0,0,0,0,0,1|2,0,0]=3 1032 B11R1.86 CC(=O)Cc1ccccc1F 1458a_100000070787_100000187165 [0,0,0,0,0,1|2,0,0]=3 1033 B11R1.86 CC(=O)Cc1ccccc1F 1458a_100000212012_200000210301 [0,0,0,0,0,1|2,0,0]=3 1034 B11R1.86 CC(=O)Cc1ccccc1I 1458a_100000036491_200000210301 [0,0,0,0,0,1|2,0,0]=3 1035 B11R1.86 CC(=O)Cc1ccccc1I 1458a_100000070787_100011216222 [0,0,0,0,0,1|2,0,0]=3 1036 B11R1.86 CC(=O)Cc1ccccc1O 1458a_100000743006_200000210301 [0,0,0,0,0,1|1,0,0]=2 1037 B11R1.86 CC(=O)Cc1ccccc1O 271570a_203496583355_100011350739 [0,0,0,0,0,1|1,0,0]=2 1038 B11R1.86 CC(=O)Cc1cccnc1Br 1458a_100000070787_100010140945 [0,0,0,0,0,1|3,0,0]=4 1039 B11R1.86 CC(=O)Cc1cccnc1C 1458a_100000070787_100000732876 [0,0,0,0,0,1|3,0,0]=4 1040 B11R1.86 CC(=O)Cc1cccnc1Cl 1458a_100000070787_100000045678 [0,0,0,0,0,1|3,0,0]=4 1041 B11R1.86 CC(=O)Cc1cccnc1Cl 1458a_100000093521_200000210301 [0,0,0,0,0,1|3,0,0]=4 1042 B11R1.86 CC(=O)Cc1cccnc1F 1458a_100000070787_100000099810 [0,0,0,0,0,1|3,0,0]=4 1043 B11R1.86 CC(=O)Cc1ccncc1C 1458a_100000070787_100020672808 [0,0,0,0,0,1|3,0,0]=4 1044 B11R1.86 CC(=O)Cc1ccncc1Cl 1458a_100000070787_100000763264 [0,0,0,0,0,1|3,0,0]=4 1045 B11R1.86 CC(=O)Cc1cnccc1C 1458a_100000070787_100000690890 [0,0,0,0,0,1|3,0,0]=4 1046 B11R1.86 CC(=O)Cc1ncccc1Br 1458a_100000070787_100025702911 [0,0,0,0,0,1|3,0,0]=4 1047 B11R1.86 CC(=O)Cc1ncccc1Br 1458a_200012357574_200000210301 [0,0,0,0,0,1|3,0,0]=4 1048 B11R1.86 CC(=O)Cc1ncccc1C 1458a_100000070787_100000696600 [0,0,0,0,0,1|3,0,0]=4 1049 B11R1.86 CC(=O)Cc1ncccc1C 1458a_200000722269_200000210301 [0,0,0,0,0,1|3,0,0]=4 1050 B11R1.86 CC(=O)Cc1ncccc1Cl 1458a_100000070787_100000099807 [0,0,0,0,0,1|3,0,0]=4 1051 B11R1.86 CC(=O)Cc1ncccc1Cl 1458a_100011998755_200000210301 [0,0,0,0,0,1|3,0,0]=4 1052 B11R1.86 CC(=O)Cc1ncccc1F 1458a_100000070787_100000104219 [0,0,0,0,0,1|3,0,0]=4 1053 B11R1.86 CC(=O)Cc1ncccc1O 1458a_100000070787_200020655725 [0,0,0,0,0,1|2,0,0]=3 1054 B11R1.86 CC(=O)Cn1ccccc1=O 1458a_100000189665_200000210301 [0,0,0,0,0,1|2,0,1]=4 1055 B11R1.86 CC(=O)Nc1ccccc1Br 11a_100000210017_100015343762 [0,0,0,0,0,1|2,0,0]=3 1056 B11R1.86 CC(=O)Nc1ccccc1Br 1626a_100000210017_100015343762 [0,0,0,0,0,1|2,0,0]=3 1057 B11R1.86 CC(=O)Nc1ccccc1C 11a_100015192222_100015343762 [0,0,0,0,0,1|2,0,0]=3 1058 B11R1.86 CC(=O)Nc1ccccc1C 1626a_100015192222_100015343762 [0,0,0,0,0,1|2,0,0]=3 1059 B11R1.86 CC(=O)Nc1ccccc1C 22a_100015192222_100000070787 [0,0,0,0,0,1|2,0,0]=3 1060 B11R1.86 CC(=O)Nc1ccccc1C 527a_100015192222_100103153847 [0,0,0,0,0,1|2,0,0]=3 1061 B11R1.86 CC(=O)Nc1ccccc1Cl 11a_100000185783_100015343762 [0,0,0,0,0,1|2,0,0]=3 1062 B11R1.86 CC(=O)Nc1ccccc1Cl 1626a_100000185783_100015343762 [0,0,0,0,0,1|2,0,0]=3 1063 B11R1.86 CC(=O)Nc1ccccc1Cl 22a_100000185783_100000070787 [0,0,0,0,0,1|2,0,0]=3 1064 B11R1.86 CC(=O)Nc1ccccc1Cl 527a_100000185783_100103153847 [0,0,0,0,0,1|2,0,0]=3 1065 B11R1.86 CC(=O)Nc1ccccc1F 11a_100000210422_100015343762 [0,0,0,0,0,1|2,0,0]=3 1066 B11R1.86 CC(=O)Nc1ccccc1F 1626a_100000210422_100015343762 [0,0,0,0,0,1|2,0,0]=3 1067 B11R1.86 CC(=O)Nc1ccccc1F 22a_100000210422_100000070787 [0,0,0,0,0,1|2,0,0]=3 1068 B11R1.86 CC(=O)Nc1ccccc1F 527a_100000210422_100103153847 [0,0,0,0,0,1|2,0,0]=3 1069 B11R1.86 CC(=O)Nc1ccccc1I 11a_100000210053_100015343762 [0,0,0,0,0,1|2,0,0]=3 1070 B11R1.86 CC(=O)Nc1ccccc1I 1626a_100000210053_100015343762 [0,0,0,0,0,1|2,0,0]=3 1071 B11R1.86 CC(=O)Nc1ccccc1O 22a_100000185747_100000070787 [0,0,0,0,0,1|1,0,0]=2 1072 B11R1.86 CC(=O)Nc1ccccc1O 271570a_203496583355_100000153524 [0,0,0,0,0,1|1,0,0]=2 1073 B11R1.86 CC(=O)Nc1ccccc1O 527a_100000185747_100103153847 [0,0,0,0,0,1|1,0,0]=2 1074 B11R1.86 CC(=O)Nc1ccncc1O 271570a_203496583355_100016132053 [0,0,0,0,0,1|2,0,0]=3 1075 B11R1.86 CC(=O)Oc1ccccc1O 271570a_203496583355_100000051690 [0,0,0,0,0,1|1,0,0]=2 1076 B11R1.86 CC(=O)Oc1cccnc1O 271570a_203496583355_200009815371 [0,0,0,0,0,1|2,0,0]=3 1077 B11R1.86 CC(C)Nc1ccccc1O 271570a_203496583355_100000219599 [0,0,0,0,0,1|2,0,1]=4 1078 B11R1.86 CC(C)Nc1ccccc1O 34a_100000185747_100000210206 [0,0,0,0,0,1|2,0,1]=4 1079 B11R1.86 CC(C)Oc1ccccc1O 271570a_203496583355_100000173919 [0,0,0,0,0,1|2,0,1]=4 1080 B11R1.86 CC(C)Sc1ccccc1O 62a_100000210206_100000739446 [0,0,0,0,0,1|2,0,1]=4 1081 B11R1.86 CC(C)Sc1ccccc1O 62a_100000739446_100000210206 [0,0,0,0,0,1|2,0,1]=4 1082 B11R1.86 CN(C)Cc1ccccc1O 2230a_100015189988_200000210301 [0,0,0,0,0,1|3,0,0]=4 1083 B11R1.86 CN(C)Cc1ccccc1O 269982a_100015189988_200000210301 [0,0,0,0,0,1|3,0,0]=4 1084 B11R1.86 CN(C)Cc1ccccc1O 271570a_203496583355_100000174758 [0,0,0,0,0,1|3,0,0]=4 1085 B11R1.86 CN([13CH3])Cc1ccccc1O 2230a_100015189988_200025704644 [0,0,0,0,0,1|3,0,0]=4 1086 B11R1.86 CN([13CH3])Cc1ccccc1O 269982a_100015189988_200025704644 [0,0,0,0,0,1|3,0,0]=4 1087 B11R1.86 Cc1ccccc1CC(=O)[13CH3] 1458a_100000212180_200025704644 [0,0,0,0,0,1|2,0,0]=3 1088 B11R1.86 Cc1cccnc1CC(=O)[13CH3] 1458a_200000722269_200025704644 [0,0,0,0,0,1|3,0,0]=4 1089 B11R1.86 NC(=O)Cc1ccccc1O 271570a_203496583355_200009814924 [0,0,0,0,0,1|1,0,0]=2 1090 B11R1.86 NC(=O)Nc1ccccc1O 271570a_203496583355_100000742221 [0,0,0,0,0,1|1,0,0]=2 1091 B11R1.86 Oc1ccccc1OC(F)F 271570a_203496583355_100000742724 [0,0,0,0,0,1|2,0,1]=4 1092 B11R1.86 [13CH3]C(=O)Cc1ccccc1Br 1458a_100000751119_200025704644 [0,0,0,0,0,1|2,0,0]=3 1093 B11R1.86 [13CH3]C(=O)Cc1ccccc1Cl 1458a_100000183793_200025704644 [0,0,0,0,0,1|2,0,0]=3 1094 B11R1.86 [13CH3]C(=O)Cc1ccccc1F 1458a_100000212012_200025704644 [0,0,0,0,0,1|2,0,0]=3 1095 B11R1.86 [13CH3]C(=O)Cc1ccccc1I 1458a_100000036491_200025704644 [0,0,0,0,0,1|2,0,0]=3 1096 B11R1.86 [13CH3]C(=O)Cc1ccccc1O 1458a_100000743006_200025704644 [0,0,0,0,0,1|1,0,0]=2 1097 B11R1.86 [13CH3]C(=O)Cc1cccnc1Cl 1458a_100000093521_200025704644 [0,0,0,0,0,1|3,0,0]=4 1098 B11R1.86 [13CH3]C(=O)Cc1ncccc1Br 1458a_200012357574_200025704644 [0,0,0,0,0,1|3,0,0]=4 1099 B11R1.86 [13CH3]C(=O)Cc1ncccc1Cl 1458a_100011998755_200025704644 [0,0,0,0,0,1|3,0,0]=4 1100 B11R1.86 [13CH3]C(=O)Cn1ccccc1=O 1458a_100000189665_200025704644 [0,0,0,0,0,1|2,0,1]=4 1101 B8R1.2 C=Cc1ccccc1 271570a_100011290941_100000210277 [2,0,0,0,0,0|1,0,0]=3 1102 B8R1.2 C=Cc1ccccn1 271570a_100011290941_100011216584 [2,0,0,0,0,0|2,0,0]=4 1103 B8R1.2 C=Cc1cccnc1 271570a_100011290941_100000752921 [2,0,0,0,0,0|2,0,0]=4 1104 B8R1.2 C=Cc1ccncc1 271570a_100011290941_100000035832 [2,0,0,0,0,0|2,0,0]=4 1105 B8R1.2 CNc1ccccc1 34a_100000106764_200000210301 [2,0,0,0,0,0|2,0,0]=4 1106 B8R1.2 COc1ccccc1 34a_100000210340_200000210301 [2,0,0,0,0,0|2,0,0]=4 1107 B8R1.2 COc1ccccc1 7a_100000210340_200000210301 [2,0,0,0,0,0|2,0,0]=4 1108 B8R1.2 CSc1ccccc1 62a_100000719477_200000210301 [2,0,0,0,0,0|2,0,0]=4 1109 B8R1.2 CSc1ccccc1 62a_200000210301_100000041952 [2,0,0,0,0,0|2,0,0]=4 1110 B8R1.2 [13CH3]Nc1ccccc1 34a_100000106764_200025704644 [2,0,0,0,0,0|2,0,0]=4 1111 B8R1.2 [13CH3]Oc1ccccc1 34a_100000210340_200025704644 [2,0,0,0,0,0|2,0,0]=4 1112 B8R1.2 [13CH3]Oc1ccccc1 7a_100000210340_200025704644 [2,0,0,0,0,0|2,0,0]=4 1113 B8R1.2 [13CH3]Sc1ccccc1 62a_100000719477_200025704644 [2,0,0,0,0,0|2,0,0]=4 1114 B8R1.2 [13CH3]Sc1ccccc1 62a_200025704644_100000041952 [2,0,0,0,0,0|2,0,0]=4 1115 B8R1.5 C[n+]1ccccc1O 271570a_203496583355_100000212160 [2,0,0,0,0,0|1,0,1]=4 1116 B8R1.5 Cc1ccccc1O 271570a_203496583355_100000210755 [2,0,0,0,0,0|0,0,1]=3 1117 B8R1.5 Cc1cccnc1O 271570a_203496583355_100000751373 [2,0,0,0,0,0|1,0,1]=4 1118 B8R1.5 Cc1ccncc1O 271570a_203496583355_100000761580 [2,0,0,0,0,0|1,0,1]=4 1119 B8R1.5 Cc1cnccc1O 271570a_203496583355_100015191297 [2,0,0,0,0,0|1,0,1]=4 1120 B8R1.5 Cc1ncccc1O 271570a_203496583355_100000751574 [2,0,0,0,0,0|1,0,1]=4 1121 B8R1.5 Nc1ccccc1O 271570a_203496583355_100000210017 [2,0,0,0,0,0|1,0,0]=3 1122 B8R1.5 Nc1cccnc1O 271570a_203496583355_100000688686 [2,0,0,0,0,0|2,0,0]=4 1123 B8R1.5 Nc1ccncc1O 271570a_203496583355_100000047001 [2,0,0,0,0,0|2,0,0]=4 1124 B8R1.5 Nc1cnccc1O 271570a_203496583355_100009815883 [2,0,0,0,0,0|2,0,0]=4 1125 B8R1.5 Nc1ncccc1O 271570a_203496583355_100000045569 [2,0,0,0,0,0|2,0,0]=4 1126 B8R1.5 O=c1[nH]cccc1O 271570a_203496583355_100000050042 [2,0,0,0,0,0|1,0,0]=3 1127 B8R1.5 O=c1[nH]ccnc1O 271570a_203496583355_100000763361 [2,0,0,0,0,0|2,0,0]=4 1128 B8R1.5 O=c1[nH]nccc1O 271570a_203496583355_100000087129 [2,0,0,0,0,0|2,0,0]=4 1129 B8R1.5 O=c1cc[nH]cc1O 271570a_203496583355_100009998708 [2,0,0,0,0,0|1,0,0]=3 1130 B8R1.5 Oc1c[nH]ccc1=S 271570a_203496583355_200012280681 [2,0,0,0,0,0|1,1,0]=4 1131 B8R1.5 Oc1ccccc1Br 271570a_203496583355_100000695589 [2,0,0,0,0,0|1,0,0]=3 1132 B8R1.5 Oc1ccccc1Cl 271570a_203496583355_100000764095 [2,0,0,0,0,0|1,0,0]=3 1133 B8R1.5 Oc1ccccc1F 271570a_203496583355_100011215700 [2,0,0,0,0,0|1,0,0]=3 1134 B8R1.5 Oc1ccccc1O 271570a_203496583355_100000739446 [2,0,0,0,0,0|0,0,0]=2 1135 B8R1.5 Oc1cccnc1Br 271570a_203496583355_100010202626 [2,0,0,0,0,0|2,0,0]=4 1136 B8R1.5 Oc1cccnc1Cl 271570a_203496583355_100000036424 [2,0,0,0,0,0|2,0,0]=4 1137 B8R1.5 Oc1cccnc1F 271570a_203496583355_100009816115 [2,0,0,0,0,0|2,0,0]=4 1138 B8R1.5 Oc1cccnc1O 271570a_203496583355_100000034122 [2,0,0,0,0,0|1,0,0]=3 1139 B8R1.5 Oc1ccncc1Br 271570a_203496583355_100000726257 [2,0,0,0,0,0|2,0,0]=4 1140 B8R1.5 Oc1ccncc1Cl 271570a_203496583355_100000708259 [2,0,0,0,0,0|2,0,0]=4 1141 B8R1.5 Oc1ccncc1F 271570a_203496583355_100000047030 [2,0,0,0,0,0|2,0,0]=4 1142 B8R1.5 Oc1ccncc1O 271570a_203496583355_100009817591 [2,0,0,0,0,0|1,0,0]=3 1143 B8R1.5 Oc1cnccc1Br 271570a_203496583355_100010138639 [2,0,0,0,0,0|2,0,0]=4 1144 B8R1.5 Oc1cnccc1Cl 271570a_203496583355_100009995489 [2,0,0,0,0,0|2,0,0]=4 1145 B8R1.5 Oc1cnccc1F 271570a_203496583355_100009820683 [2,0,0,0,0,0|2,0,0]=4 1146 B8R1.5 Oc1cncnc1O 271570a_203496583355_100000751107 [2,0,0,0,0,0|2,0,0]=4 1147 B8R1.5 Oc1ncccc1Br 271570a_203496583355_100000696092 [2,0,0,0,0,0|2,0,0]=4 1148 B8R1.5 Oc1ncccc1Cl 271570a_203496583355_100011356963 [2,0,0,0,0,0|2,0,0]=4 1149 B8R1.5 Oc1ncccc1F 271570a_203496583355_100000685392 [2,0,0,0,0,0|2,0,0]=4 1150 B8R1.5 [O-][n+]1ccccc1O 271570a_203496583355_200000042595 [2,0,0,0,0,0|1,0,1]=4 1151 B10R0.18 C=CC=CC(=O)CC(=O)OC 1458a_100016291481_100000747449 [0,1,1,0,0,0|0,0,2]=4 1152 B10R1.13 C=C(C)c1ccc(cc1)Br 271570a_100000694244_100000752885 [1,1,0,0,0,0|2,0,0]=4 1153 B10R1.13 C=C(C)c1ccc(cc1)C 271570a_100000694244_100000186775 [1,1,0,0,0,0|2,0,0]=4 1154 B10R1.13 C=C(C)c1ccc(cc1)Cl 271570a_100000694244_100000755918 [1,1,0,0,0,0|2,0,0]=4 1155 B10R1.13 C=C(C)c1ccc(cc1)F 271570a_100000694244_100000211213 [1,1,0,0,0,0|2,0,0]=4 1156 B10R1.13 C=C(C)c1ccc(cc1)N 271570a_100000694244_100000185761 [1,1,0,0,0,0|2,0,0]=4 1157 B10R1.13 C=C(C)c1ccc(cc1)O 271570a_100000694244_100000185759 [1,1,0,0,0,0|2,0,0]=4 1158 B10R1.13 C=C(C)c1ccc(cc1)O 271570a_203496583355_100000185454 [1,1,0,0,0,0|2,0,0]=4 1159 B10R1.13 CC(=O)c1ccc(cc1)Br 1458a_100000185839_200000210301 [1,1,0,0,0,0|1,0,0]=3 1160 B10R1.13 CC(=O)c1ccc(cc1)C 1458a_100000188618_200000210301 [1,1,0,0,0,0|1,0,0]=3 1161 B10R1.13 CC(=O)c1ccc(cc1)Cl 1458a_100000210187_200000210301 [1,1,0,0,0,0|1,0,0]=3 1162 B10R1.13 CC(=O)c1ccc(cc1)F 1458a_100000187176_200000210301 [1,1,0,0,0,0|1,0,0]=3 1163 B10R1.13 CC(=O)c1ccc(cc1)I 1458a_100000187904_200000210301 [1,1,0,0,0,0|1,0,0]=3 1164 B10R1.13 CC(=O)c1ccc(cc1)O 1458a_100000212099_200000210301 [1,1,0,0,0,0|1,0,0]=3 1165 B10R1.13 CC(=O)c1ccc(cc1)O 271570a_203496583355_100000185465 [1,1,0,0,0,0|1,0,0]=3 1166 B10R1.13 CC(=O)c1ccc(cn1)O 271570a_203496583355_100000686046 [1,1,0,0,0,0|2,0,0]=4 1167 B10R1.13 CC(=O)c1ccc(nc1)O 271570a_203496583355_100000684857 [1,1,0,0,0,0|2,0,0]=4 1168 B10R1.13 CC(O)c1ccc(cc1)O 271570a_203496583355_100000745893 [1,1,0,0,0,0|1,0,1]=4 1169 B10R1.13 CS(=O)c1ccc(cc1)O 271570a_203496583355_100009816266 [1,1,0,0,0,0|2,0,0]=4 1170 B10R1.13 Cc1ccc(cc1)C(=O)[13CH3] 1458a_100000188618_200025704644 [1,1,0,0,0,0|1,0,0]=3 1171 B10R1.13 NC(=O)c1ccc(cc1)O 271570a_203496583355_100000162191 [1,1,0,0,0,0|1,0,0]=3 1172 B10R1.13 NC(=O)c1ccc(cn1)O 271570a_203496583355_100011219284 [1,1,0,0,0,0|2,0,0]=4 1173 B10R1.13 NC(=O)c1ccc(nc1)O 271570a_203496583355_100000162237 [1,1,0,0,0,0|2,0,0]=4 1174 B10R1.13 OB(O)c1ccc(cc1)O 271570a_203496583355_100000754493 [1,1,0,0,0,0|1,0,1]=4 1175 B10R1.13 [13CH3]C(=O)c1ccc(cc1)Br 1458a_100000185839_200025704644 [1,1,0,0,0,0|1,0,0]=3 1176 B10R1.13 [13CH3]C(=O)c1ccc(cc1)Cl 1458a_100000210187_200025704644 [1,1,0,0,0,0|1,0,0]=3 1177 B10R1.13 [13CH3]C(=O)c1ccc(cc1)F 1458a_100000187176_200025704644 [1,1,0,0,0,0|1,0,0]=3 1178 B10R1.13 [13CH3]C(=O)c1ccc(cc1)I 1458a_100000187904_200025704644 [1,1,0,0,0,0|1,0,0]=3 1179 B10R1.13 [13CH3]C(=O)c1ccc(cc1)O 1458a_100000212099_200025704644 [1,1,0,0,0,0|1,0,0]=3 1180 B10R1.15 CCC(=O)c1ccccc1 1458a_100000185807_100000210202 [1,1,0,0,0,0|1,0,0]=3 1181 B10R1.15 CNC(=O)c1ccccc1 11a_106832991635_100000185807 [1,1,0,0,0,0|1,0,0]=3 1182 B10R1.15 CNC(=O)c1ccccc1 1626a_100102657272_100000185807 [1,1,0,0,0,0|1,0,0]=3 1183 B10R1.15 CNC(=O)c1ccccc1 240690a_100102657272_100000185807 [1,1,0,0,0,0|1,0,0]=3 1184 B10R1.15 CNC(=O)c1ccccc1 527a_100102657272_100000185807 [1,1,0,0,0,0|1,0,0]=3 1185 B10R1.15 COC(C)c1ccccc1 34a_100138415774_100000211855 [1,1,0,0,0,0|1,0,1]=4 1186 B10R1.15 CO[C@H](C)c1ccccc1 34a_100000761318_200000210301 [1,1,0,0,0,0|1,0,1]=4 1187 B10R1.15 CO[C@H](C)c1ccccc1 7a_100000761318_200000210301 [1,1,0,0,0,0|1,0,1]=4 1188 B10R1.15 C[C@@H](O[13CH3])c1ccccc1 34a_100000761318_200025704644 [1,1,0,0,0,0|1,0,1]=4 1189 B10R1.15 C[C@@H](O[13CH3])c1ccccc1 7a_100000761318_200025704644 [1,1,0,0,0,0|1,0,1]=4 1190 B10R1.15 O=C(CF)c1ccccc1 1458a_100000185807_100015361967 [1,1,0,0,0,0|1,0,0]=3 1191 B10R1.113 C=C(C)c1cccc(c1)Br 271570a_100000694244_100000691529 [1,1,0,0,0,0|2,0,0]=4 1192 B10R1.113 C=C(C)c1cccc(c1)C 271570a_100000694244_100011215228 [1,1,0,0,0,0|2,0,0]=4 1193 B10R1.113 C=C(C)c1cccc(c1)Cl 271570a_100000694244_100000699651 [1,1,0,0,0,0|2,0,0]=4 1194 B10R1.113 C=C(C)c1cccc(c1)F 271570a_100000694244_100000685547 [1,1,0,0,0,0|2,0,0]=4 1195 B10R1.113 C=C(C)c1cccc(c1)N 271570a_100000694244_100000210019 [1,1,0,0,0,0|2,0,0]=4 1196 B10R1.113 C=C(C)c1cccc(c1)O 271570a_100000694244_100000211634 [1,1,0,0,0,0|2,0,0]=4 1197 B10R1.113 C=C(C)c1cccc(c1)O 271570a_203496583355_100012123953 [1,1,0,0,0,0|2,0,0]=4 1198 B10R1.113 C=C(C)c1cccc(c1)[S] 271570a_100000694244_114929384022 [1,1,0,0,0,0|2,0,0]=4 1199 B10R1.113 CC(=O)c1cc(ccn1)O 271570a_203496583355_100000709912 [1,1,0,0,0,0|2,0,0]=4 1200 B10R1.113 CC(=O)c1cccc(c1)Br 1458a_100000210664_200000210301 [1,1,0,0,0,0|1,0,0]=3 1201 B10R1.113 CC(=O)c1cccc(c1)C 1458a_100000189346_200000210301 [1,1,0,0,0,0|1,0,0]=3 1202 B10R1.113 CC(=O)c1cccc(c1)Cl 1458a_100000210390_200000210301 [1,1,0,0,0,0|1,0,0]=3 1203 B10R1.113 CC(=O)c1cccc(c1)F 1458a_100000210950_200000210301 [1,1,0,0,0,0|1,0,0]=3 1204 B10R1.113 CC(=O)c1cccc(c1)I 1458a_100000184098_200000210301 [1,1,0,0,0,0|1,0,0]=3 1205 B10R1.113 CC(=O)c1cccc(c1)O 1458a_100000183914_200000210301 [1,1,0,0,0,0|1,0,0]=3 1206 B10R1.113 CC(=O)c1cccc(c1)O 271570a_203496583355_100000210093 [1,1,0,0,0,0|1,0,0]=3 1207 B10R1.113 CC(=O)c1cccc(n1)O 271570a_203496583355_100009816502 [1,1,0,0,0,0|2,0,0]=4 1208 B10R1.113 CC(=O)c1ccnc(c1)O 271570a_203496583355_100000685609 [1,1,0,0,0,0|2,0,0]=4 1209 B10R1.113 CC(=O)c1cncc(c1)O 271570a_203496583355_100011216243 [1,1,0,0,0,0|2,0,0]=4 1210 B10R1.113 CC(O)c1cccc(c1)O 271570a_203496583355_100000246457 [1,1,0,0,0,0|1,0,1]=4 1211 B10R1.113 CS(=O)c1cccc(c1)O 271570a_203496583355_100009816267 [1,1,0,0,0,0|2,0,0]=4 1212 B10R1.113 Cc1cccc(c1)C(=O)[13CH3] 1458a_100000189346_200025704644 [1,1,0,0,0,0|1,0,0]=3 1213 B10R1.113 NC(=O)c1cc(ccn1)O 271570a_203496583355_100000229564 [1,1,0,0,0,0|2,0,0]=4 1214 B10R1.113 NC(=O)c1cccc(c1)O 271570a_203496583355_100000162208 [1,1,0,0,0,0|1,0,0]=3 1215 B10R1.113 NC(=O)c1cccc(n1)O 271570a_203496583355_100011834053 [1,1,0,0,0,0|2,0,0]=4 1216 B10R1.113 NC(=O)c1ccnc(c1)O 271570a_203496583355_100000229836 [1,1,0,0,0,0|2,0,0]=4 1217 B10R1.113 NC(=O)c1cncc(c1)O 271570a_203496583355_100000162242 [1,1,0,0,0,0|2,0,0]=4 1218 B10R1.113 OB(O)c1cccc(c1)O 271570a_203496583355_100000687717 [1,1,0,0,0,0|1,0,1]=4 1219 B10R1.113 [13CH3]C(=O)c1cccc(c1)Br 1458a_100000210664_200025704644 [1,1,0,0,0,0|1,0,0]=3 1220 B10R1.113 [13CH3]C(=O)c1cccc(c1)Cl 1458a_100000210390_200025704644 [1,1,0,0,0,0|1,0,0]=3 1221 B10R1.113 [13CH3]C(=O)c1cccc(c1)F 1458a_100000210950_200025704644 [1,1,0,0,0,0|1,0,0]=3 1222 B10R1.113 [13CH3]C(=O)c1cccc(c1)I 1458a_100000184098_200025704644 [1,1,0,0,0,0|1,0,0]=3 1223 B10R1.113 [13CH3]C(=O)c1cccc(c1)O 1458a_100000183914_200025704644 [1,1,0,0,0,0|1,0,0]=3 1224 B10R1.2 C=Cc1cccc(c1Br)O 271570a_100011290941_100010187914 [1,1,0,0,0,0|2,0,0]=4 1225 B10R1.2 C=Cc1cccc(c1C)Br 271570a_100011290941_100012353703 [1,1,0,0,0,0|2,0,0]=4 1226 B10R1.2 C=Cc1cccc(c1C)C 271570a_100011290941_100011214922 [1,1,0,0,0,0|2,0,0]=4 1227 B10R1.2 C=Cc1cccc(c1C)Cl 271570a_100011290941_100000726075 [1,1,0,0,0,0|2,0,0]=4 1228 B10R1.2 C=Cc1cccc(c1C)F 271570a_100011290941_100011216893 [1,1,0,0,0,0|2,0,0]=4 1229 B10R1.2 C=Cc1cccc(c1C)N 271570a_100011290941_100000761887 [1,1,0,0,0,0|2,0,0]=4 1230 B10R1.2 C=Cc1cccc(c1C)O 271570a_100011290941_100012002258 [1,1,0,0,0,0|2,0,0]=4 1231 B10R1.2 C=Cc1cccc(c1Cl)Br 271570a_100011290941_100010142854 [1,1,0,0,0,0|2,0,0]=4 1232 B10R1.2 C=Cc1cccc(c1Cl)C 271570a_100011290941_200012352035 [1,1,0,0,0,0|2,0,0]=4 1233 B10R1.2 C=Cc1cccc(c1Cl)Cl 271570a_100011290941_100011215384 [1,1,0,0,0,0|2,0,0]=4 1234 B10R1.2 C=Cc1cccc(c1Cl)F 271570a_100011290941_200010234923 [1,1,0,0,0,0|2,0,0]=4 1235 B10R1.2 C=Cc1cccc(c1Cl)O 271570a_100011290941_100000049636 [1,1,0,0,0,0|2,0,0]=4 1236 B10R1.2 C=Cc1cccc(c1F)Br 271570a_100011290941_100000702267 [1,1,0,0,0,0|2,0,0]=4 1237 B10R1.2 C=Cc1cccc(c1F)C 271570a_100011290941_100000717567 [1,1,0,0,0,0|2,0,0]=4 1238 B10R1.2 C=Cc1cccc(c1F)Cl 271570a_100011290941_100011217346 [1,1,0,0,0,0|2,0,0]=4 1239 B10R1.2 C=Cc1cccc(c1F)F 271570a_100011290941_100000694657 [1,1,0,0,0,0|2,0,0]=4 1240 B10R1.2 C=Cc1cccc(c1F)N 271570a_100011290941_100011935091 [1,1,0,0,0,0|2,0,0]=4 1241 B10R1.2 C=Cc1cccc(c1F)O 271570a_100011290941_100009817021 [1,1,0,0,0,0|2,0,0]=4 1242 B10R1.2 C=Cc1cccc(c1N)Br 271570a_100011290941_100010146558 [1,1,0,0,0,0|2,0,0]=4 1243 B10R1.2 C=Cc1cccc(c1N)C 271570a_100011290941_100011834072 [1,1,0,0,0,0|2,0,0]=4 1244 B10R1.2 C=Cc1cccc(c1N)Cl 271570a_100011290941_100010190421 [1,1,0,0,0,0|2,0,0]=4 1245 B10R1.2 C=Cc1cccc(c1N)F 271570a_100011290941_100000042321 [1,1,0,0,0,0|2,0,0]=4 1246 B10R1.2 C=Cc1cccc(c1N)N 271570a_100011290941_100015191791 [1,1,0,0,0,0|2,0,0]=4 1247 B10R1.2 C=Cc1cccc(c1N)O 271570a_100011290941_100011934926 [1,1,0,0,0,0|2,0,0]=4 1248 B10R1.2 C=Cc1cccc(c1O)Br 271570a_100011290941_100010084509 [1,1,0,0,0,0|1,0,0]=3 1249 B10R1.2 C=Cc1cccc(c1O)C 271570a_100011290941_100009817157 [1,1,0,0,0,0|1,0,0]=3 1250 B10R1.2 C=Cc1cccc(c1O)Cl 271570a_100011290941_100010202889 [1,1,0,0,0,0|1,0,0]=3 1251 B10R1.2 C=Cc1cccc(c1O)F 271570a_100011290941_100009813666 [1,1,0,0,0,0|1,0,0]=3 1252 B10R1.2 C=Cc1cccc(c1O)N 271570a_100011290941_100011934915 [1,1,0,0,0,0|1,0,0]=3 1253 B10R1.2 C=Cc1cccc(c1O)O 271570a_100011290941_100009815950 [1,1,0,0,0,0|1,0,0]=3 1254 B10R1.2 C=Cc1nccc(c1O)C 271570a_100011290941_100000696282 [1,1,0,0,0,0|2,0,0]=4 1255 B10R1.2 C=Cc1nccc(c1O)F 271570a_100011290941_100009867227 [1,1,0,0,0,0|2,0,0]=4 1256 B10R1.2 CCc1cccc(c1O)C 271570a_203496583355_100000036235 [1,1,0,0,0,0|1,0,1]=4 1257 B10R1.2 CCc1cccc(c1O)O 271570a_203496583355_200010001580 [1,1,0,0,0,0|1,0,1]=4 1258 B10R1.2 CNc1cccc(c1O)Br 34a_100011934915_200000210301 [1,1,0,0,0,0|2,0,0]=4 1259 B10R1.2 CNc1cccc(c1O)C 34a_100000756359_200000210301 [1,1,0,0,0,0|2,0,0]=4 1260 B10R1.2 CNc1cccc(c1O)Cl 34a_100000754742_200000210301 [1,1,0,0,0,0|2,0,0]=4 1261 B10R1.2 CNc1cccc(c1O)F 34a_100011934987_200000210301 [1,1,0,0,0,0|2,0,0]=4 1262 B10R1.2 COc1cccc(c1O)Br 271570a_203496583355_100010131421 [1,1,0,0,0,0|2,0,0]=4 1263 B10R1.2 COc1cccc(c1O)F 271570a_203496583355_100000041735 [1,1,0,0,0,0|2,0,0]=4 1264 B10R1.2 COc1cccc(c1O)N 271570a_203496583355_100000703447 [1,1,0,0,0,0|2,0,0]=4 1265 B10R1.2 COc1cccc(c1O)O 271570a_203496583355_100000686866 [1,1,0,0,0,0|2,0,0]=4 1266 B10R1.2 COc1cccc(c1O)O 271570a_203496583355_100010202623 [1,1,0,0,0,0|2,0,0]=4 1267 B10R1.2 CSc1cccc(c1O)Br 62a_100010084509_200000210301 [1,1,0,0,0,0|2,0,0]=4 1268 B10R1.2 CSc1cccc(c1O)Br 62a_200000210301_100010084509 [1,1,0,0,0,0|2,0,0]=4 1269 B10R1.2 CSc1cccc(c1O)C 62a_100009817157_200000210301 [1,1,0,0,0,0|2,0,0]=4 1270 B10R1.2 CSc1cccc(c1O)C 62a_200000210301_100009817157 [1,1,0,0,0,0|2,0,0]=4 1271 B10R1.2 CSc1cccc(c1O)Cl 62a_100010202889_200000210301 [1,1,0,0,0,0|2,0,0]=4 1272 B10R1.2 CSc1cccc(c1O)Cl 62a_200000210301_100010202889 [1,1,0,0,0,0|2,0,0]=4 1273 B10R1.2 CSc1cccc(c1O)F 62a_100009813666_200000210301 [1,1,0,0,0,0|2,0,0]=4 1274 B10R1.2 CSc1cccc(c1O)F 62a_200000210301_100009813666 [1,1,0,0,0,0|2,0,0]=4 1275 B10R1.2 CSc1cccc(c1O)N 62a_100011934915_200000210301 [1,1,0,0,0,0|2,0,0]=4 1276 B10R1.2 CSc1cccc(c1O)N 62a_200000210301_100010084371 [1,1,0,0,0,0|2,0,0]=4 1277 B10R1.2 CSc1cccc(c1O)O 62a_200000210301_100009815950 [1,1,0,0,0,0|2,0,0]=4 1278 B10R1.2 Cc1c(cccc1C=O)O 271570a_203496583355_100012179384 [1,1,0,0,0,0|1,0,0]=3 1279 B10R1.2 Cc1c(cccc1CO)O 271570a_203496583355_100000694458 [1,1,0,0,0,0|1,0,1]=4 1280 B10R1.2 Cc1c(ccnc1O)C=O 271570a_203496583355_100000096011 [1,1,0,0,0,0|2,0,0]=4 1281 B10R1.2 Cc1c(cncc1C=O)O 271570a_203496583355_100010214934 [1,1,0,0,0,0|2,0,0]=4 1282 B10R1.2 Cc1cccc(c1O)C#N 271570a_203496583355_100011934862 [1,1,0,0,0,0|1,0,1]=4 1283 B10R1.2 Cc1cccc(c1O)CO 271570a_203496583355_100011659289 [1,1,0,0,0,0|0,0,1]=3 1284 B10R1.2 Cc1cccc(c1O)N[13CH3] 34a_100000756359_200025704644 [1,1,0,0,0,0|2,0,0]=4 1285 B10R1.2 Cc1cccc(c1O)S[13CH3] 62a_100009817157_200025704644 [1,1,0,0,0,0|2,0,0]=4 1286 B10R1.2 Cc1cccc(c1O)S[13CH3] 62a_200025704644_100009817157 [1,1,0,0,0,0|2,0,0]=4 1287 B10R1.2 N#Cc1cccc(c1O)Br 271570a_203496583355_100000703783 [1,1,0,0,0,0|1,0,1]=4 1288 B10R1.2 N#Cc1cccc(c1O)Cl 271570a_203496583355_100010134094 [1,1,0,0,0,0|1,0,1]=4 1289 B10R1.2 N#Cc1cccc(c1O)F 271570a_203496583355_100011219237 [1,1,0,0,0,0|1,0,1]=4 1290 B10R1.2 N#Cc1cccc(c1O)N 271570a_203496583355_100009877206 [1,1,0,0,0,0|1,0,1]=4 1291 B10R1.2 N#Cc1cccc(c1O)O 271570a_203496583355_100009817103 [1,1,0,0,0,0|1,0,1]=4 1292 B10R1.2 N#Cc1cccc(c1O)O 271570a_203496583355_100009818990 [1,1,0,0,0,0|1,0,1]=4 1293 B10R1.2 Nc1c(cccc1C=O)O 271570a_203496583355_100010144990 [1,1,0,0,0,0|1,0,0]=3 1294 B10R1.2 Nc1c(cccc1CO)O 271570a_203496583355_100012349457 [1,1,0,0,0,0|1,0,1]=4 1295 B10R1.2 O=Cc1cccc(c1F)O 271570a_203496583355_100000766533 [1,1,0,0,0,0|1,0,0]=3 1296 B10R1.2 O=Cc1cccc(c1O)F 271570a_203496583355_100011998484 [1,1,0,0,0,0|0,0,0]=2 1297 B10R1.2 O=Cc1cccc(c1O)O 271570a_203496583355_100000737635 [1,1,0,0,0,0|0,0,0]=2 1298 B10R1.2 O=Cc1cccc(c1O)O 271570a_203496583355_100009816417 [1,1,0,0,0,0|0,0,0]=2 1299 B10R1.2 O=Cc1ccnc(c1F)O 271570a_203496583355_100010064874 [1,1,0,0,0,0|2,0,0]=4 1300 B10R1.2 O=Cc1ccnc(c1O)F 271570a_203496583355_100009856171 [1,1,0,0,0,0|1,0,0]=3 1301 B10R1.2 O=Cc1nccc(c1F)O 271570a_203496583355_100015713984 [1,1,0,0,0,0|2,0,0]=4 1302 B10R1.2 OCc1cccc(c1Br)O 271570a_203496583355_100010240205 [1,1,0,0,0,0|1,0,1]=4 1303 B10R1.2 OCc1cccc(c1F)O 271570a_203496583355_100011935076 [1,1,0,0,0,0|1,0,1]=4 1304 B10R1.2 OCc1cccc(c1O)Br 271570a_203496583355_100010146604 [1,1,0,0,0,0|0,0,1]=3 1305 B10R1.2 OCc1cccc(c1O)F 271570a_203496583355_100000692438 [1,1,0,0,0,0|0,0,1]=3 1306 B10R1.2 [13CH3]Nc1cccc(c1O)Br 34a_100011934915_200025704644 [1,1,0,0,0,0|2,0,0]=4 1307 B10R1.2 [13CH3]Nc1cccc(c1O)Cl 34a_100000754742_200025704644 [1,1,0,0,0,0|2,0,0]=4 1308 B10R1.2 [13CH3]Nc1cccc(c1O)F 34a_100011934987_200025704644 [1,1,0,0,0,0|2,0,0]=4 1309 B10R1.2 [13CH3]Sc1cccc(c1O)Br 62a_100010084509_200025704644 [1,1,0,0,0,0|2,0,0]=4 1310 B10R1.2 [13CH3]Sc1cccc(c1O)Br 62a_200025704644_100010084509 [1,1,0,0,0,0|2,0,0]=4 1311 B10R1.2 [13CH3]Sc1cccc(c1O)Cl 62a_100010202889_200025704644 [1,1,0,0,0,0|2,0,0]=4 1312 B10R1.2 [13CH3]Sc1cccc(c1O)Cl 62a_200025704644_100010202889 [1,1,0,0,0,0|2,0,0]=4 1313 B10R1.2 [13CH3]Sc1cccc(c1O)F 62a_100009813666_200025704644 [1,1,0,0,0,0|2,0,0]=4 1314 B10R1.2 [13CH3]Sc1cccc(c1O)F 62a_200025704644_100009813666 [1,1,0,0,0,0|2,0,0]=4 1315 B10R1.2 [13CH3]Sc1cccc(c1O)N 62a_100011934915_200025704644 [1,1,0,0,0,0|2,0,0]=4 1316 B10R1.2 [13CH3]Sc1cccc(c1O)N 62a_200025704644_100010084371 [1,1,0,0,0,0|2,0,0]=4 1317 B10R1.2 [13CH3]Sc1cccc(c1O)O 62a_200025704644_100009815950 [1,1,0,0,0,0|2,0,0]=4 1318 B10R1.4 C=C=Cc1ccccc1Br 271570a_100015277604_100000695589 [1,1,0,0,0,0|2,0,0]=4 1319 B10R1.4 C=C=Cc1ccccc1C 271570a_100015277604_100000210755 [1,1,0,0,0,0|2,0,0]=4 1320 B10R1.4 C=C=Cc1ccccc1Cl 271570a_100015277604_100000764095 [1,1,0,0,0,0|2,0,0]=4 1321 B10R1.4 C=C=Cc1ccccc1F 271570a_100015277604_100011215700 [1,1,0,0,0,0|2,0,0]=4 1322 B10R1.4 C=C=Cc1ccccc1N 271570a_100015277604_100000210017 [1,1,0,0,0,0|2,0,0]=4 1323 B10R1.4 C=C=Cc1ccccc1O 271570a_100015277604_100000739446 [1,1,0,0,0,0|1,0,0]=3 1324 B10R1.4 C=C=Cc1ccncc1O 271570a_100015277604_100009817591 [1,1,0,0,0,0|2,0,0]=4 1325 B10R1.4 C=C=Cc1ncccc1O 271570a_100015277604_100000034122 [1,1,0,0,0,0|2,0,0]=4 1326 B10R1.4 C=CCc1ccccc1O 271570a_203496583355_100009828059 [1,1,0,0,0,0|1,0,0]=3 1327 B10R1.4 CC=Cc1ccccc1Br 271570a_100016259895_100000695589 [1,1,0,0,0,0|2,0,0]=4 1328 B10R1.4 CC=Cc1ccccc1C 271570a_100016259895_100000210755 [1,1,0,0,0,0|2,0,0]=4 1329 B10R1.4 CC=Cc1ccccc1Cl 271570a_100016259895_100000764095 [1,1,0,0,0,0|2,0,0]=4 1330 B10R1.4 CC=Cc1ccccc1F 271570a_100016259895_100011215700 [1,1,0,0,0,0|2,0,0]=4 1331 B10R1.4 CC=Cc1ccccc1N 271570a_100016259895_100000210017 [1,1,0,0,0,0|2,0,0]=4 1332 B10R1.4 CC=Cc1ccccc1O 271570a_100016259895_100000739446 [1,1,0,0,0,0|1,0,0]=3 1333 B10R1.4 CC=Cc1ccncc1O 271570a_100016259895_100009817591 [1,1,0,0,0,0|2,0,0]=4 1334 B10R1.4 CC=Cc1ncccc1O 271570a_100016259895_100000034122 [1,1,0,0,0,0|2,0,0]=4 1335 B10R1.4 CCNc1ccccc1O 271570a_203496583355_114873767003 [1,1,0,0,0,0|1,0,1]=4 1336 B10R1.4 CCNc1ccccc1O 34a_100000185747_100000210202 [1,1,0,0,0,0|1,0,1]=4 1337 B10R1.4 CCOc1ccccc1O 271570a_203496583355_100000230754 [1,1,0,0,0,0|1,0,1]=4 1338 B10R1.4 CCSc1ccccc1O 271570a_203496583355_100000230856 [1,1,0,0,0,0|1,0,1]=4 1339 B10R1.4 CCSc1ccccc1O 62a_100000210202_100000739446 [1,1,0,0,0,0|1,0,1]=4 1340 B10R1.4 CCSc1ccccc1O 62a_100000739446_100000210202 [1,1,0,0,0,0|1,0,1]=4 1341 B10R1.4 CNCc1ccccc1O 271570a_203496583355_100000184654 [1,1,0,0,0,0|1,0,1]=4 1342 B10R1.4 CNCc1ccccc1O 34a_100000185550_200000210301 [1,1,0,0,0,0|1,0,1]=4 1343 B10R1.4 COCc1ccccc1Br 34a_100000756307_200000210301 [1,1,0,0,0,0|1,0,1]=4 1344 B10R1.4 COCc1ccccc1Br 34a_100138415774_100000184730 [1,1,0,0,0,0|1,0,1]=4 1345 B10R1.4 COCc1ccccc1Br 7a_100000756307_200000210301 [1,1,0,0,0,0|1,0,1]=4 1346 B10R1.4 COCc1ccccc1C 34a_100000698903_200000210301 [1,1,0,0,0,0|1,0,1]=4 1347 B10R1.4 COCc1ccccc1C 34a_100138415774_100000211839 [1,1,0,0,0,0|1,0,1]=4 1348 B10R1.4 COCc1ccccc1C 7a_100000698903_200000210301 [1,1,0,0,0,0|1,0,1]=4 1349 B10R1.4 COCc1ccccc1Cl 34a_100000210847_200000210301 [1,1,0,0,0,0|1,0,1]=4 1350 B10R1.4 COCc1ccccc1Cl 34a_100138415774_100000187162 [1,1,0,0,0,0|1,0,1]=4 1351 B10R1.4 COCc1ccccc1Cl 7a_100000210847_200000210301 [1,1,0,0,0,0|1,0,1]=4 1352 B10R1.4 COCc1ccccc1F 34a_100000211962_200000210301 [1,1,0,0,0,0|1,0,1]=4 1353 B10R1.4 COCc1ccccc1F 34a_100138415774_100000211605 [1,1,0,0,0,0|1,0,1]=4 1354 B10R1.4 COCc1ccccc1F 7a_100000211962_200000210301 [1,1,0,0,0,0|1,0,1]=4 1355 B10R1.4 COCc1ccccc1I 34a_100000187465_200000210301 [1,1,0,0,0,0|1,0,1]=4 1356 B10R1.4 COCc1ccccc1I 34a_100138415774_100011215278 [1,1,0,0,0,0|1,0,1]=4 1357 B10R1.4 COCc1ccccc1I 7a_100000187465_200000210301 [1,1,0,0,0,0|1,0,1]=4 1358 B10R1.4 COCc1ccccc1N 34a_100000212039_200000210301 [1,1,0,0,0,0|1,0,1]=4 1359 B10R1.4 COCc1ccccc1O 271570a_203496583355_100011493684 [1,1,0,0,0,0|0,0,1]=3 1360 B10R1.4 COCc1ncccc1O 34a_100138415774_200020655725 [1,1,0,0,0,0|1,0,1]=4 1361 B10R1.4 CSCc1ccccc1O 271570a_203496583355_100000148299 [1,1,0,0,0,0|0,1,1]=4 1362 B10R1.4 Cc1ccccc1CO[13CH3] 34a_100000698903_200025704644 [1,1,0,0,0,0|1,0,1]=4 1363 B10R1.4 Cc1ccccc1CO[13CH3] 7a_100000698903_200025704644 [1,1,0,0,0,0|1,0,1]=4 1364 B10R1.4 N#CCc1ccccc1O 271570a_203496583355_100000033512 [1,1,0,0,0,0|1,0,1]=4 1365 B10R1.4 NCCc1ccccc1O 271570a_203496583355_100000747383 [1,1,0,0,0,0|1,0,1]=4 1366 B10R1.4 NNCc1ccccc1O 271570a_203496583355_200016993956 [1,1,0,0,0,0|1,0,1]=4 1367 B10R1.4 OCCc1ccccc1O 271570a_203496583355_100000731337 [1,1,0,0,0,0|0,0,1]=3 1368 B10R1.4 Oc1ccccc1NCF 34a_100000185747_100015361967 [1,1,0,0,0,0|1,0,1]=4 1369 B10R1.4 Oc1ccccc1SCF 62a_100000739446_100015361967 [1,1,0,0,0,0|1,0,1]=4 1370 B10R1.4 Oc1ccccc1SCF 62a_100015361967_100000739446 [1,1,0,0,0,0|1,0,1]=4 1371 B10R1.4 [13CH3]NCc1ccccc1O 34a_100000185550_200025704644 [1,1,0,0,0,0|1,0,1]=4 1372 B10R1.4 [13CH3]OCc1ccccc1Br 34a_100000756307_200025704644 [1,1,0,0,0,0|1,0,1]=4 1373 B10R1.4 [13CH3]OCc1ccccc1Br 7a_100000756307_200025704644 [1,1,0,0,0,0|1,0,1]=4 1374 B10R1.4 [13CH3]OCc1ccccc1Cl 34a_100000210847_200025704644 [1,1,0,0,0,0|1,0,1]=4 1375 B10R1.4 [13CH3]OCc1ccccc1Cl 7a_100000210847_200025704644 [1,1,0,0,0,0|1,0,1]=4 1376 B10R1.4 [13CH3]OCc1ccccc1F 34a_100000211962_200025704644 [1,1,0,0,0,0|1,0,1]=4 1377 B10R1.4 [13CH3]OCc1ccccc1F 7a_100000211962_200025704644 [1,1,0,0,0,0|1,0,1]=4 1378 B10R1.4 [13CH3]OCc1ccccc1I 34a_100000187465_200025704644 [1,1,0,0,0,0|1,0,1]=4 1379 B10R1.4 [13CH3]OCc1ccccc1I 7a_100000187465_200025704644 [1,1,0,0,0,0|1,0,1]=4 1380 B10R1.4 [13CH3]OCc1ccccc1N 34a_100000212039_200025704644 [1,1,0,0,0,0|1,0,1]=4 1381 B10R1.4 [N-]=[N+]=Nc1ccccc1O 271570a_203496583355_100000762926 [1,1,0,0,0,0|2,0,0]=4 1382 B10R1.20 C#Cc1ccccc1OC 34a_200011470546_200000210301 [1,1,0,0,0,0|1,0,1]=4 1383 B10R1.20 C#Cc1ccccc1OC 7a_200011470546_200000210301 [1,1,0,0,0,0|1,0,1]=4 1384 B10R1.20 C#Cc1ccccc1O[13CH3] 34a_200011470546_200025704644 [1,1,0,0,0,0|1,0,1]=4 1385 B10R1.20 C#Cc1ccccc1O[13CH3] 7a_200011470546_200025704644 [1,1,0,0,0,0|1,0,1]=4 1386 B10R1.20 C=Cc1ccccc1C#N 271570a_100011290941_100000188569 [1,1,0,0,0,0|2,0,0]=4 1387 B10R1.20 C=Cc1ccccc1C=O 271570a_100011290941_100000211189 [1,1,0,0,0,0|1,0,0]=3 1388 B10R1.20 C=Cc1ccccc1CC 271570a_100011290941_100011215823 [1,1,0,0,0,0|2,0,0]=4 1389 B10R1.20 C=Cc1ccccc1CN 271570a_100011290941_100000689332 [1,1,0,0,0,0|2,0,0]=4 1390 B10R1.20 C=Cc1ccccc1CO 271570a_100011290941_100000187465 [1,1,0,0,0,0|1,0,0]=3 1391 B10R1.20 C=Cc1ccccc1NC 271570a_100011290941_100020606079 [1,1,0,0,0,0|2,0,0]=4 1392 B10R1.20 C=Cc1ccccc1NC 34a_100012022501_200000210301 [1,1,0,0,0,0|2,0,0]=4 1393 B10R1.20 C=Cc1ccccc1NN 271570a_100011290941_100000241748 [1,1,0,0,0,0|2,0,0]=4 1394 B10R1.20 C=Cc1ccccc1N[13CH3] 34a_100012022501_200025704644 [1,1,0,0,0,0|2,0,0]=4 1395 B10R1.20 C=Cc1ccccc1OC 271570a_100011290941_100000174000 [1,1,0,0,0,0|1,0,0]=3 1396 B10R1.20 C=Cc1ccccc1SC 271570a_100011290941_100011217816 [1,1,0,0,0,0|1,1,0]=4 1397 B10R1.20 C=Cc1ccccc1SC 62a_100011218376_200000210301 [1,1,0,0,0,0|1,1,0]=4 1398 B10R1.20 C=Cc1ccccc1SC 62a_200000210301_100011218376 [1,1,0,0,0,0|1,1,0]=4 1399 B10R1.20 C=Cc1ccccc1S[13CH3] 62a_100011218376_200025704644 [1,1,0,0,0,0|1,1,0]=4 1400 B10R1.20 C=Cc1ccccc1S[13CH3] 62a_200025704644_100011218376 [1,1,0,0,0,0|1,1,0]=4 1401 B10R1.20 C=Cc1cccnc1C=O 271570a_100011290941_100011934733 [1,1,0,0,0,0|2,0,0]=4 1402 B10R1.20 C=Cc1cccnc1CO 271570a_100011290941_100011996772 [1,1,0,0,0,0|2,0,0]=4 1403 B10R1.20 C=Cc1cccnc1OC 271570a_100011290941_100000047025 [1,1,0,0,0,0|2,0,0]=4 1404 B10R1.20 C=Cc1ccncc1C=O 271570a_100011290941_100000050567 [1,1,0,0,0,0|2,0,0]=4 1405 B10R1.20 C=Cc1ccncc1CO 271570a_100011290941_100000117392 [1,1,0,0,0,0|2,0,0]=4 1406 B10R1.20 C=Cc1ccncc1OC 271570a_100011290941_100016988167 [1,1,0,0,0,0|2,0,0]=4 1407 B10R1.20 C=Cc1cnccc1C=O 271570a_100011290941_100011934409 [1,1,0,0,0,0|2,0,0]=4 1408 B10R1.20 C=Cc1cnccc1CO 271570a_100011290941_100009873359 [1,1,0,0,0,0|2,0,0]=4 1409 B10R1.20 C=Cc1cnccc1OC 271570a_100011290941_100011997281 [1,1,0,0,0,0|2,0,0]=4 1410 B10R1.20 C=Cc1ncccc1C=O 271570a_100011290941_100009816751 [1,1,0,0,0,0|2,0,0]=4 1411 B10R1.20 C=Cc1ncccc1CO 271570a_100011290941_100000748726 [1,1,0,0,0,0|2,0,0]=4 1412 B10R1.20 C=Cc1ncccc1OC 271570a_100011290941_100000690851 [1,1,0,0,0,0|2,0,0]=4 1413 B10R1.20 CCc1ccccc1OC 34a_100000210936_200000210301 [1,1,0,0,0,0|1,0,1]=4 1414 B10R1.20 CCc1ccccc1OC 7a_100000210936_200000210301 [1,1,0,0,0,0|1,0,1]=4 1415 B10R1.20 CCc1ccccc1O[13CH3] 34a_100000210936_200025704644 [1,1,0,0,0,0|1,0,1]=4 1416 B10R1.20 CCc1ccccc1O[13CH3] 7a_100000210936_200025704644 [1,1,0,0,0,0|1,0,1]=4 1417 B10R1.20 CNc1ccccc1CO 34a_100000212039_200000210301 [1,1,0,0,0,0|1,0,1]=4 1418 B10R1.20 CNc1ccccc1OC 34a_100000033821_200000210301 [1,1,0,0,0,0|2,0,0]=4 1419 B10R1.20 CNc1ccccc1OC 34a_100000210025_200000210301 [1,1,0,0,0,0|2,0,0]=4 1420 B10R1.20 CNc1ccccc1O[13CH3] 34a_100000033821_200025704644 [1,1,0,0,0,0|2,0,0]=4 1421 B10R1.20 COc1ccccc1C#N 34a_100000211048_200000210301 [1,1,0,0,0,0|1,0,1]=4 1422 B10R1.20 COc1ccccc1C#N 7a_100000211048_200000210301 [1,1,0,0,0,0|1,0,1]=4 1423 B10R1.20 COc1ccccc1CN 34a_100000185550_200000210301 [1,1,0,0,0,0|1,0,1]=4 1424 B10R1.20 COc1ccccc1CO 34a_100011216872_200000210301 [1,1,0,0,0,0|0,0,1]=3 1425 B10R1.20 COc1ccccc1N[13CH3] 34a_100000210025_200025704644 [1,1,0,0,0,0|2,0,0]=4 1426 B10R1.20 COc1ccccc1OC 34a_100000210385_200000210301 [1,1,0,0,0,0|2,0,0]=4 1427 B10R1.20 COc1ccccc1O[13CH3] 34a_100000210385_200025704644 [1,1,0,0,0,0|2,0,0]=4 1428 B10R1.20 COc1ccccc1SC 34a_100011216402_200000210301 [1,1,0,0,0,0|2,0,0]=4 1429 B10R1.20 COc1ccccc1SC 62a_100000210334_200000210301 [1,1,0,0,0,0|2,0,0]=4 1430 B10R1.20 COc1ccccc1SC 62a_200000210301_100000210334 [1,1,0,0,0,0|2,0,0]=4 1431 B10R1.20 COc1ccccc1S[13CH3] 62a_100000210334_200025704644 [1,1,0,0,0,0|2,0,0]=4 1432 B10R1.20 COc1ccccc1S[13CH3] 62a_200025704644_100000210334 [1,1,0,0,0,0|2,0,0]=4 1433 B10R1.20 COc1cccnc1CO 34a_100000731849_200000210301 [1,1,0,0,0,0|1,0,1]=4 1434 B10R1.20 COc1cnccc1CO 34a_100000078615_200000210301 [1,1,0,0,0,0|1,0,1]=4 1435 B10R1.20 CSc1ccccc1C=O 62a_100000210073_200000210301 [1,1,0,0,0,0|0,1,0]=3 1436 B10R1.20 CSc1ccccc1C=O 62a_200000210301_100000210073 [1,1,0,0,0,0|0,1,0]=3 1437 B10R1.20 CSc1ccccc1CO 62a_100000187465_200000210301 [1,1,0,0,0,0|0,1,1]=4 1438 B10R1.20 CSc1ccccc1CO 62a_200000210301_100000187465 [1,1,0,0,0,0|0,1,1]=4 1439 B10R1.20 CSc1ccccc1O[13CH3] 34a_100011216402_200025704644 [1,1,0,0,0,0|2,0,0]=4 1440 B10R1.20 CSc1cccnc1C=O 62a_100011934733_200000210301 [1,1,0,0,0,0|1,1,0]=4 1441 B10R1.20 CSc1cccnc1C=O 62a_200000210301_100011934733 [1,1,0,0,0,0|1,1,0]=4 1442 B10R1.20 CSc1ccncc1C=O 62a_100000050567_200000210301 [1,1,0,0,0,0|1,1,0]=4 1443 B10R1.20 CSc1ccncc1C=O 62a_200000210301_100000050567 [1,1,0,0,0,0|1,1,0]=4 1444 B10R1.20 CSc1cnccc1C=O 62a_100011934409_200000210301 [1,1,0,0,0,0|1,1,0]=4 1445 B10R1.20 CSc1cnccc1C=O 62a_200000210301_100011934409 [1,1,0,0,0,0|1,1,0]=4 1446 B10R1.20 CSc1ncccc1C=O 62a_100009816751_200000210301 [1,1,0,0,0,0|1,1,0]=4 1447 B10R1.20 CSc1ncccc1C=O 62a_200000210301_100009816751 [1,1,0,0,0,0|1,1,0]=4 1448 B10R1.20 [13CH3]Nc1ccccc1CO 34a_100000212039_200025704644 [1,1,0,0,0,0|1,0,1]=4 1449 B10R1.20 [13CH3]Oc1ccccc1C#N 34a_100000211048_200025704644 [1,1,0,0,0,0|1,0,1]=4 1450 B10R1.20 [13CH3]Oc1ccccc1C#N 7a_100000211048_200025704644 [1,1,0,0,0,0|1,0,1]=4 1451 B10R1.20 [13CH3]Oc1ccccc1CN 34a_100000185550_200025704644 [1,1,0,0,0,0|1,0,1]=4 1452 B10R1.20 [13CH3]Oc1ccccc1CO 34a_100011216872_200025704644 [1,1,0,0,0,0|0,0,1]=3 1453 B10R1.20 [13CH3]Oc1cccnc1CO 34a_100000731849_200025704644 [1,1,0,0,0,0|1,0,1]=4 1454 B10R1.20 [13CH3]Oc1cnccc1CO 34a_100000078615_200025704644 [1,1,0,0,0,0|1,0,1]=4 1455 B10R1.20 [13CH3]Sc1ccccc1C=O 62a_100000210073_200025704644 [1,1,0,0,0,0|0,1,0]=3 1456 B10R1.20 [13CH3]Sc1ccccc1C=O 62a_200025704644_100000210073 [1,1,0,0,0,0|0,1,0]=3 1457 B10R1.20 [13CH3]Sc1ccccc1CO 62a_100000187465_200025704644 [1,1,0,0,0,0|0,1,1]=4 1458 B10R1.20 [13CH3]Sc1ccccc1CO 62a_200025704644_100000187465 [1,1,0,0,0,0|0,1,1]=4 1459 B10R1.20 [13CH3]Sc1cccnc1C=O 62a_100011934733_200025704644 [1,1,0,0,0,0|1,1,0]=4 1460 B10R1.20 [13CH3]Sc1cccnc1C=O 62a_200025704644_100011934733 [1,1,0,0,0,0|1,1,0]=4 1461 B10R1.20 [13CH3]Sc1ccncc1C=O 62a_100000050567_200025704644 [1,1,0,0,0,0|1,1,0]=4 1462 B10R1.20 [13CH3]Sc1ccncc1C=O 62a_200025704644_100000050567 [1,1,0,0,0,0|1,1,0]=4 1463 B10R1.20 [13CH3]Sc1cnccc1C=O 62a_100011934409_200025704644 [1,1,0,0,0,0|1,1,0]=4 1464 B10R1.20 [13CH3]Sc1cnccc1C=O 62a_200025704644_100011934409 [1,1,0,0,0,0|1,1,0]=4 1465 B10R1.20 [13CH3]Sc1ncccc1C=O 62a_100009816751_200025704644 [1,1,0,0,0,0|1,1,0]=4 1466 B10R1.20 [13CH3]Sc1ncccc1C=O 62a_200025704644_100009816751 [1,1,0,0,0,0|1,1,0]=4 1467 B10R1.25 C=Cc1ccc(cc1Br)Br 271570a_100011290941_100011484698 [1,1,0,0,0,0|2,0,0]=4 1468 B10R1.25 C=Cc1ccc(cc1Br)C 271570a_100011290941_100009813563 [1,1,0,0,0,0|2,0,0]=4 1469 B10R1.25 C=Cc1ccc(cc1Br)Cl 271570a_100011290941_100011219703 [1,1,0,0,0,0|2,0,0]=4 1470 B10R1.25 C=Cc1ccc(cc1Br)F 271570a_100011290941_100011217111 [1,1,0,0,0,0|2,0,0]=4 1471 B10R1.25 C=Cc1ccc(cc1Br)N 271570a_100011290941_100000750458 [1,1,0,0,0,0|2,0,0]=4 1472 B10R1.25 C=Cc1ccc(cc1Br)O 271570a_100011290941_100000701344 [1,1,0,0,0,0|2,0,0]=4 1473 B10R1.25 C=Cc1ccc(cc1C)Br 271570a_100011290941_100000701812 [1,1,0,0,0,0|2,0,0]=4 1474 B10R1.25 C=Cc1ccc(cc1C)C 271570a_100011290941_100011217332 [1,1,0,0,0,0|2,0,0]=4 1475 B10R1.25 C=Cc1ccc(cc1C)Cl 271570a_100011290941_100011219607 [1,1,0,0,0,0|2,0,0]=4 1476 B10R1.25 C=Cc1ccc(cc1C)F 271570a_100011290941_100011205405 [1,1,0,0,0,0|2,0,0]=4 1477 B10R1.25 C=Cc1ccc(cc1C)N 271570a_100011290941_100000210723 [1,1,0,0,0,0|2,0,0]=4 1478 B10R1.25 C=Cc1ccc(cc1C)O 271570a_100011290941_100000729255 [1,1,0,0,0,0|2,0,0]=4 1479 B10R1.25 C=Cc1ccc(cc1Cl)Br 271570a_100011290941_100011216062 [1,1,0,0,0,0|2,0,0]=4 1480 B10R1.25 C=Cc1ccc(cc1Cl)C 271570a_100011290941_100011263221 [1,1,0,0,0,0|2,0,0]=4 1481 B10R1.25 C=Cc1ccc(cc1Cl)Cl 271570a_100011290941_100000699841 [1,1,0,0,0,0|2,0,0]=4 1482 B10R1.25 C=Cc1ccc(cc1Cl)F 271570a_100011290941_100000733362 [1,1,0,0,0,0|2,0,0]=4 1483 B10R1.25 C=Cc1ccc(cc1Cl)N 271570a_100011290941_100000761885 [1,1,0,0,0,0|2,0,0]=4 1484 B10R1.25 C=Cc1ccc(cc1Cl)O 271570a_100011290941_100000047559 [1,1,0,0,0,0|2,0,0]=4 1485 B10R1.25 C=Cc1ccc(cc1F)Br 271570a_100011290941_100009814013 [1,1,0,0,0,0|2,0,0]=4 1486 B10R1.25 C=Cc1ccc(cc1F)C 271570a_100011290941_100011216119 [1,1,0,0,0,0|2,0,0]=4 1487 B10R1.25 C=Cc1ccc(cc1F)Cl 271570a_100011290941_100011216042 [1,1,0,0,0,0|2,0,0]=4 1488 B10R1.25 C=Cc1ccc(cc1F)F 271570a_100011290941_100000750030 [1,1,0,0,0,0|2,0,0]=4 1489 B10R1.25 C=Cc1ccc(cc1F)N 271570a_100011290941_100011356925 [1,1,0,0,0,0|2,0,0]=4 1490 B10R1.25 C=Cc1ccc(cc1F)O 271570a_100011290941_100000755031 [1,1,0,0,0,0|2,0,0]=4 1491 B10R1.25 C=Cc1ccc(cc1N)Br 271570a_100011290941_100000743836 [1,1,0,0,0,0|2,0,0]=4 1492 B10R1.25 C=Cc1ccc(cc1N)C 271570a_100011290941_100011216686 [1,1,0,0,0,0|2,0,0]=4 1493 B10R1.25 C=Cc1ccc(cc1N)Cl 271570a_100011290941_100000761886 [1,1,0,0,0,0|2,0,0]=4 1494 B10R1.25 C=Cc1ccc(cc1N)F 271570a_100011290941_100011218093 [1,1,0,0,0,0|2,0,0]=4 1495 B10R1.25 C=Cc1ccc(cc1N)N 271570a_100011290941_200012175722 [1,1,0,0,0,0|2,0,0]=4 1496 B10R1.25 C=Cc1ccc(cc1N)O 271570a_100011290941_100011999798 [1,1,0,0,0,0|2,0,0]=4 1497 B10R1.25 C=Cc1ccc(cc1O)Br 271570a_100011290941_100012344904 [1,1,0,0,0,0|1,0,0]=3 1498 B10R1.25 C=Cc1ccc(cc1O)C 271570a_100011290941_100012002257 [1,1,0,0,0,0|1,0,0]=3 1499 B10R1.25 C=Cc1ccc(cc1O)Cl 271570a_100011290941_100000050036 [1,1,0,0,0,0|1,0,0]=3 1500 B10R1.25 C=Cc1ccc(cc1O)F 271570a_100011290941_100000690578 [1,1,0,0,0,0|1,0,0]=3 1501 B10R1.25 C=Cc1ccc(cc1O)O 271570a_100011290941_100009813921 [1,1,0,0,0,0|1,0,0]=3 1502 B10R1.25 C=Cc1ccc(nc1O)C 271570a_100011290941_100009817604 [1,1,0,0,0,0|2,0,0]=4 1503 B10R1.25 C=Cc1cnc(cc1O)C 271570a_100011290941_100011016184 [1,1,0,0,0,0|2,0,0]=4 1504 B10R1.25 C=Cc1ncc(cc1O)Br 271570a_100011290941_100010210634 [1,1,0,0,0,0|2,0,0]=4 1505 B10R1.25 C=Cc1ncc(cc1O)C 271570a_100011290941_100012000487 [1,1,0,0,0,0|2,0,0]=4 1506 B10R1.25 C=Cc1ncc(cc1O)Cl 271570a_100011290941_100010233512 [1,1,0,0,0,0|2,0,0]=4 1507 B10R1.25 C=Cc1ncc(cc1O)F 271570a_100011290941_100000079967 [1,1,0,0,0,0|2,0,0]=4 1508 B10R1.25 CNc1ccc(cc1O)Br 34a_100000739049_200000210301 [1,1,0,0,0,0|2,0,0]=4 1509 B10R1.25 CNc1ccc(cc1O)C 271570a_203496583355_100000221369 [1,1,0,0,0,0|2,0,0]=4 1510 B10R1.25 CNc1ccc(cc1O)C 34a_100000211527_200000210301 [1,1,0,0,0,0|2,0,0]=4 1511 B10R1.25 CNc1ccc(cc1O)Cl 34a_100000185728_200000210301 [1,1,0,0,0,0|2,0,0]=4 1512 B10R1.25 CNc1ccc(cc1O)F 271570a_203496583355_100011246292 [1,1,0,0,0,0|2,0,0]=4 1513 B10R1.25 CNc1ccc(cc1O)F 34a_100000753323_200000210301 [1,1,0,0,0,0|2,0,0]=4 1514 B10R1.25 CNc1ccc(cc1O)O 34a_100000106777_200000210301 [1,1,0,0,0,0|2,0,0]=4 1515 B10R1.25 COc1ccc(cc1O)Br 271570a_203496583355_100012351588 [1,1,0,0,0,0|2,0,0]=4 1516 B10R1.25 COc1ccc(cc1O)C 271570a_203496583355_100000186399 [1,1,0,0,0,0|2,0,0]=4 1517 B10R1.25 COc1ccc(cc1O)Cl 271570a_203496583355_100011215930 [1,1,0,0,0,0|2,0,0]=4 1518 B10R1.25 COc1ccc(cc1O)F 271570a_203496583355_100000171694 [1,1,0,0,0,0|2,0,0]=4 1519 B10R1.25 COc1ccc(cc1O)N 271570a_203496583355_100000187427 [1,1,0,0,0,0|2,0,0]=4 1520 B10R1.25 COc1ccc(cc1O)O 271570a_203496583355_100009816560 [1,1,0,0,0,0|2,0,0]=4 1521 B10R1.25 COc1ccc(cc1O)O 271570a_203496583355_100010084122 [1,1,0,0,0,0|2,0,0]=4 1522 B10R1.25 CSc1ccc(cc1O)Br 62a_100012344904_200000210301 [1,1,0,0,0,0|2,0,0]=4 1523 B10R1.25 CSc1ccc(cc1O)Br 62a_200000210301_100012344904 [1,1,0,0,0,0|2,0,0]=4 1524 B10R1.25 CSc1ccc(cc1O)C 271570a_203496583355_200010201864 [1,1,0,0,0,0|2,0,0]=4 1525 B10R1.25 CSc1ccc(cc1O)C 62a_100012002257_200000210301 [1,1,0,0,0,0|2,0,0]=4 1526 B10R1.25 CSc1ccc(cc1O)C 62a_200000210301_100012002257 [1,1,0,0,0,0|2,0,0]=4 1527 B10R1.25 CSc1ccc(cc1O)Cl 62a_100000050036_200000210301 [1,1,0,0,0,0|2,0,0]=4 1528 B10R1.25 CSc1ccc(cc1O)Cl 62a_200000210301_100000050036 [1,1,0,0,0,0|2,0,0]=4 1529 B10R1.25 CSc1ccc(cc1O)F 271570a_203496583355_100009817003 [1,1,0,0,0,0|2,0,0]=4 1530 B10R1.25 CSc1ccc(cc1O)F 62a_100000690578_200000210301 [1,1,0,0,0,0|2,0,0]=4 1531 B10R1.25 CSc1ccc(cc1O)F 62a_200000210301_100000690578 [1,1,0,0,0,0|2,0,0]=4 1532 B10R1.25 CSc1ccc(cc1O)O 62a_200000210301_100009813921 [1,1,0,0,0,0|2,0,0]=4 1533 B10R1.25 Cc1cc(ccc1C=O)O 271570a_203496583355_100000687586 [1,1,0,0,0,0|1,0,0]=3 1534 B10R1.25 Cc1cc(ccc1CO)O 271570a_203496583355_100000748258 [1,1,0,0,0,0|1,0,1]=4 1535 B10R1.25 Cc1cc(cnc1C=O)O 271570a_203496583355_100010185443 [1,1,0,0,0,0|2,0,0]=4 1536 B10R1.25 Cc1cc(ncc1C=O)O 271570a_203496583355_100000085382 [1,1,0,0,0,0|2,0,0]=4 1537 B10R1.25 Cc1ccc(c(c1)O)C#N 271570a_203496583355_100000693804 [1,1,0,0,0,0|1,0,1]=4 1538 B10R1.25 Cc1ccc(c(c1)O)C=O 271570a_203496583355_100000692596 [1,1,0,0,0,0|0,0,0]=2 1539 B10R1.25 Cc1ccc(c(c1)O)NN 271570a_203496583355_100016996181 [1,1,0,0,0,0|2,0,0]=4 1540 B10R1.25 Cc1ccc(c(c1)O)N[13CH3] 34a_100000211527_200025704644 [1,1,0,0,0,0|2,0,0]=4 1541 B10R1.25 Cc1ccc(c(c1)O)S[13CH3] 62a_100012002257_200025704644 [1,1,0,0,0,0|2,0,0]=4 1542 B10R1.25 Cc1ccc(c(c1)O)S[13CH3] 62a_200025704644_100012002257 [1,1,0,0,0,0|2,0,0]=4 1543 B10R1.25 Cc1ccc(c(n1)O)C=O 271570a_203496583355_100000085379 [1,1,0,0,0,0|1,0,0]=3 1544 B10R1.25 Cc1ccc(c(n1)O)CO 271570a_203496583355_102495338573 [1,1,0,0,0,0|1,0,1]=4 1545 B10R1.25 Cc1nc(ccc1C=O)O 271570a_203496583355_100000050599 [1,1,0,0,0,0|2,0,0]=4 1546 B10R1.25 N#Cc1ccc(cc1O)Br 271570a_203496583355_100010214477 [1,1,0,0,0,0|1,0,1]=4 1547 B10R1.25 N#Cc1ccc(cc1O)Cl 271570a_203496583355_100012355178 [1,1,0,0,0,0|1,0,1]=4 1548 B10R1.25 N#Cc1ccc(cc1O)F 271570a_203496583355_100000747196 [1,1,0,0,0,0|1,0,1]=4 1549 B10R1.25 N#Cc1ccc(cc1O)N 271570a_203496583355_100000689153 [1,1,0,0,0,0|1,0,1]=4 1550 B10R1.25 N#Cc1ccc(cc1O)O 271570a_203496583355_100011934713 [1,1,0,0,0,0|1,0,1]=4 1551 B10R1.25 N#Cc1ccc(cc1O)O 271570a_203496583355_100012184851 [1,1,0,0,0,0|1,0,1]=4 1552 B10R1.25 NCc1ccc(cc1O)F 271570a_203496583355_100000708791 [1,1,0,0,0,0|1,0,1]=4 1553 B10R1.25 Nc1cc(ccc1C=O)O 271570a_203496583355_100009814810 [1,1,0,0,0,0|1,0,0]=3 1554 B10R1.25 Nc1cc(ccc1CO)O 271570a_203496583355_100000718831 [1,1,0,0,0,0|1,0,1]=4 1555 B10R1.25 O=Cc1ccc(cc1Br)O 271570a_203496583355_100010185650 [1,1,0,0,0,0|1,0,0]=3 1556 B10R1.25 O=Cc1ccc(cc1Cl)O 271570a_203496583355_100000727542 [1,1,0,0,0,0|1,0,0]=3 1557 B10R1.25 O=Cc1ccc(cc1F)O 271570a_203496583355_100000211676 [1,1,0,0,0,0|1,0,0]=3 1558 B10R1.25 O=Cc1ccc(cc1O)Br 271570a_203496583355_100010146562 [1,1,0,0,0,0|0,0,0]=2 1559 B10R1.25 O=Cc1ccc(cc1O)F 271570a_203496583355_100000752949 [1,1,0,0,0,0|0,0,0]=2 1560 B10R1.25 O=Cc1ccc(cc1O)O 271570a_203496583355_100011236494 [1,1,0,0,0,0|0,0,0]=2 1561 B10R1.25 O=Cc1ccc(cc1O)O 271570a_203496583355_100011277552 [1,1,0,0,0,0|0,0,0]=2 1562 B10R1.25 O=Cc1ccc(nc1F)O 271570a_203496583355_100010064369 [1,1,0,0,0,0|2,0,0]=4 1563 B10R1.25 O=Cc1ccc(nc1O)F 271570a_203496583355_100009846357 [1,1,0,0,0,0|1,0,0]=3 1564 B10R1.25 O=Cc1cnc(cc1O)F 271570a_203496583355_100009862493 [1,1,0,0,0,0|1,0,0]=3 1565 B10R1.25 O=Cc1ncc(cc1F)O 271570a_203496583355_100010180630 [1,1,0,0,0,0|2,0,0]=4 1566 B10R1.25 OCc1ccc(cc1Br)O 271570a_203496583355_100010240206 [1,1,0,0,0,0|1,0,1]=4 1567 B10R1.25 OCc1ccc(cc1F)O 271570a_203496583355_100011191541 [1,1,0,0,0,0|1,0,1]=4 1568 B10R1.25 OCc1ccc(cc1O)Br 271570a_203496583355_100010146605 [1,1,0,0,0,0|0,0,1]=3 1569 B10R1.25 OCc1ccc(cc1O)Cl 271570a_203496583355_100000722340 [1,1,0,0,0,0|0,0,1]=3 1570 B10R1.25 OCc1ccc(cc1O)F 271570a_203496583355_100000744086 [1,1,0,0,0,0|0,0,1]=3 1571 B10R1.25 OCc1ccc(cc1O)O 271570a_203496583355_100000071718 [1,1,0,0,0,0|0,0,1]=3 1572 B10R1.25 OCc1ccc(cc1O)O 271570a_203496583355_100010146404 [1,1,0,0,0,0|0,0,1]=3 1573 B10R1.25 [13CH3]Nc1ccc(cc1O)Br 34a_100000739049_200025704644 [1,1,0,0,0,0|2,0,0]=4 1574 B10R1.25 [13CH3]Nc1ccc(cc1O)Cl 34a_100000185728_200025704644 [1,1,0,0,0,0|2,0,0]=4 1575 B10R1.25 [13CH3]Nc1ccc(cc1O)F 34a_100000753323_200025704644 [1,1,0,0,0,0|2,0,0]=4 1576 B10R1.25 [13CH3]Nc1ccc(cc1O)O 34a_100000106777_200025704644 [1,1,0,0,0,0|2,0,0]=4 1577 B10R1.25 [13CH3]Sc1ccc(cc1O)Br 62a_100012344904_200025704644 [1,1,0,0,0,0|2,0,0]=4 1578 B10R1.25 [13CH3]Sc1ccc(cc1O)Br 62a_200025704644_100012344904 [1,1,0,0,0,0|2,0,0]=4 1579 B10R1.25 [13CH3]Sc1ccc(cc1O)Cl 62a_100000050036_200025704644 [1,1,0,0,0,0|2,0,0]=4 1580 B10R1.25 [13CH3]Sc1ccc(cc1O)Cl 62a_200025704644_100000050036 [1,1,0,0,0,0|2,0,0]=4 1581 B10R1.25 [13CH3]Sc1ccc(cc1O)F 62a_100000690578_200025704644 [1,1,0,0,0,0|2,0,0]=4 1582 B10R1.25 [13CH3]Sc1ccc(cc1O)F 62a_200025704644_100000690578 [1,1,0,0,0,0|2,0,0]=4 1583 B10R1.25 [13CH3]Sc1ccc(cc1O)O 62a_200025704644_100009813921 [1,1,0,0,0,0|2,0,0]=4 1584 B10R1.30 C=Cc1cc(ccc1Br)Br 271570a_100011290941_100011483371 [1,1,0,0,0,0|2,0,0]=4 1585 B10R1.30 C=Cc1cc(ccc1Br)C 271570a_100011290941_100012353751 [1,1,0,0,0,0|2,0,0]=4 1586 B10R1.30 C=Cc1cc(ccc1Br)Cl 271570a_100011290941_100012339723 [1,1,0,0,0,0|2,0,0]=4 1587 B10R1.30 C=Cc1cc(ccc1Br)F 271570a_100011290941_100011217576 [1,1,0,0,0,0|2,0,0]=4 1588 B10R1.30 C=Cc1cc(ccc1Br)N 271570a_100011290941_100000750459 [1,1,0,0,0,0|2,0,0]=4 1589 B10R1.30 C=Cc1cc(ccc1Br)O 271570a_100011290941_100012339312 [1,1,0,0,0,0|2,0,0]=4 1590 B10R1.30 C=Cc1cc(ccc1C)Br 271570a_100011290941_100011344865 [1,1,0,0,0,0|2,0,0]=4 1591 B10R1.30 C=Cc1cc(ccc1C)C 271570a_100011290941_100000210833 [1,1,0,0,0,0|2,0,0]=4 1592 B10R1.30 C=Cc1cc(ccc1C)Cl 271570a_100011290941_100011263213 [1,1,0,0,0,0|2,0,0]=4 1593 B10R1.30 C=Cc1cc(ccc1C)F 271570a_100011290941_100011218078 [1,1,0,0,0,0|2,0,0]=4 1594 B10R1.30 C=Cc1cc(ccc1C)N 271570a_100011290941_100000736455 [1,1,0,0,0,0|2,0,0]=4 1595 B10R1.30 C=Cc1cc(ccc1C)O 271570a_100011290941_100011380479 [1,1,0,0,0,0|2,0,0]=4 1596 B10R1.30 C=Cc1cc(ccc1Cl)Br 271570a_100011290941_100011772130 [1,1,0,0,0,0|2,0,0]=4 1597 B10R1.30 C=Cc1cc(ccc1Cl)C 271570a_100011290941_100012356289 [1,1,0,0,0,0|2,0,0]=4 1598 B10R1.30 C=Cc1cc(ccc1Cl)Cl 271570a_100011290941_100000707729 [1,1,0,0,0,0|2,0,0]=4 1599 B10R1.30 C=Cc1cc(ccc1Cl)F 271570a_100011290941_100011217299 [1,1,0,0,0,0|2,0,0]=4 1600 B10R1.30 C=Cc1cc(ccc1Cl)N 271570a_100011290941_100012360549 [1,1,0,0,0,0|2,0,0]=4 1601 B10R1.30 C=Cc1cc(ccc1Cl)O 271570a_100011290941_100000049588 [1,1,0,0,0,0|2,0,0]=4 1602 B10R1.30 C=Cc1cc(ccc1F)Br 271570a_100011290941_100011217312 [1,1,0,0,0,0|2,0,0]=4 1603 B10R1.30 C=Cc1cc(ccc1F)C 271570a_100011290941_100000736223 [1,1,0,0,0,0|2,0,0]=4 1604 B10R1.30 C=Cc1cc(ccc1F)Cl 271570a_100011290941_100011218116 [1,1,0,0,0,0|2,0,0]=4 1605 B10R1.30 C=Cc1cc(ccc1F)F 271570a_100011290941_100000750033 [1,1,0,0,0,0|2,0,0]=4 1606 B10R1.30 C=Cc1cc(ccc1F)N 271570a_100011290941_100000760356 [1,1,0,0,0,0|2,0,0]=4 1607 B10R1.30 C=Cc1cc(ccc1F)O 271570a_100011290941_100000693481 [1,1,0,0,0,0|2,0,0]=4 1608 B10R1.30 C=Cc1cc(ccc1N)Br 271570a_100011290941_100000187925 [1,1,0,0,0,0|2,0,0]=4 1609 B10R1.30 C=Cc1cc(ccc1N)C 271570a_100011290941_100000210942 [1,1,0,0,0,0|2,0,0]=4 1610 B10R1.30 C=Cc1cc(ccc1N)Cl 271570a_100011290941_100000761889 [1,1,0,0,0,0|2,0,0]=4 1611 B10R1.30 C=Cc1cc(ccc1N)F 271570a_100011290941_100000760547 [1,1,0,0,0,0|2,0,0]=4 1612 B10R1.30 C=Cc1cc(ccc1N)N 271570a_100011290941_100011534242 [1,1,0,0,0,0|2,0,0]=4 1613 B10R1.30 C=Cc1cc(ccc1N)O 271570a_100011290941_100012001276 [1,1,0,0,0,0|2,0,0]=4 1614 B10R1.30 C=Cc1cc(ccc1O)Br 271570a_100011290941_100012355227 [1,1,0,0,0,0|1,0,0]=3 1615 B10R1.30 C=Cc1cc(ccc1O)C 271570a_100011290941_100000765521 [1,1,0,0,0,0|1,0,0]=3 1616 B10R1.30 C=Cc1cc(ccc1O)Cl 271570a_100011290941_100011356953 [1,1,0,0,0,0|1,0,0]=3 1617 B10R1.30 C=Cc1cc(ccc1O)F 271570a_100011290941_100000211999 [1,1,0,0,0,0|1,0,0]=3 1618 B10R1.30 C=Cc1cc(ccc1O)N 271570a_100011290941_100011534360 [1,1,0,0,0,0|1,0,0]=3 1619 B10R1.30 C=Cc1cc(ccc1O)O 271570a_100011290941_100009813629 [1,1,0,0,0,0|1,0,0]=3 1620 B10R1.30 C=Cc1cc(cnc1O)Br 271570a_100011290941_100010197142 [1,1,0,0,0,0|2,0,0]=4 1621 B10R1.30 C=Cc1cc(cnc1O)C 271570a_100011290941_100000049931 [1,1,0,0,0,0|2,0,0]=4 1622 B10R1.30 C=Cc1cc(cnc1O)Cl 271570a_100011290941_100010188700 [1,1,0,0,0,0|2,0,0]=4 1623 B10R1.30 C=Cc1cc(ncc1O)C 271570a_100011290941_100009843476 [1,1,0,0,0,0|2,0,0]=4 1624 B10R1.30 C=Cc1cc(ncc1O)Cl 271570a_100011290941_100000698892 [1,1,0,0,0,0|2,0,0]=4 1625 B10R1.30 C=Cc1nc(ccc1O)Br 271570a_100011290941_100010253912 [1,1,0,0,0,0|2,0,0]=4 1626 B10R1.30 C=Cc1nc(ccc1O)C 271570a_100011290941_100000702858 [1,1,0,0,0,0|2,0,0]=4 1627 B10R1.30 C=Cc1nc(ccc1O)Cl 271570a_100011290941_100000696390 [1,1,0,0,0,0|2,0,0]=4 1628 B10R1.30 C=Cc1nc(ccc1O)F 271570a_100011290941_100010382442 [1,1,0,0,0,0|2,0,0]=4 1629 B10R1.30 CCc1cc(ccc1O)Br 271570a_203496583355_100011216195 [1,1,0,0,0,0|1,0,1]=4 1630 B10R1.30 CCc1cc(ccc1O)N 271570a_203496583355_100010109747 [1,1,0,0,0,0|1,0,1]=4 1631 B10R1.30 CCc1cc(ccc1O)O 271570a_203496583355_100012338938 [1,1,0,0,0,0|1,0,1]=4 1632 B10R1.30 CNc1cc(ccc1O)Br 34a_100000752626_200000210301 [1,1,0,0,0,0|2,0,0]=4 1633 B10R1.30 CNc1cc(ccc1O)C 34a_100011215204_200000210301 [1,1,0,0,0,0|2,0,0]=4 1634 B10R1.30 CNc1cc(ccc1O)Cl 34a_100000210500_200000210301 [1,1,0,0,0,0|2,0,0]=4 1635 B10R1.30 CNc1cc(ccc1O)F 271570a_203496583355_100020633008 [1,1,0,0,0,0|2,0,0]=4 1636 B10R1.30 CNc1cc(ccc1O)F 34a_100000759472_200000210301 [1,1,0,0,0,0|2,0,0]=4 1637 B10R1.30 COc1cc(ccc1O)Br 271570a_203496583355_100010245111 [1,1,0,0,0,0|2,0,0]=4 1638 B10R1.30 COc1cc(ccc1O)C 271570a_203496583355_100010200004 [1,1,0,0,0,0|2,0,0]=4 1639 B10R1.30 COc1cc(ccc1O)Cl 271570a_203496583355_100000050115 [1,1,0,0,0,0|2,0,0]=4 1640 B10R1.30 COc1cc(ccc1O)F 271570a_203496583355_100000757151 [1,1,0,0,0,0|2,0,0]=4 1641 B10R1.30 COc1cc(ccc1O)N 271570a_203496583355_100000765947 [1,1,0,0,0,0|2,0,0]=4 1642 B10R1.30 COc1cc(ccc1O)O 271570a_203496583355_100000694246 [1,1,0,0,0,0|2,0,0]=4 1643 B10R1.30 COc1cc(ccc1O)O 271570a_203496583355_100011827694 [1,1,0,0,0,0|2,0,0]=4 1644 B10R1.30 CSc1cc(ccc1O)Br 62a_100012355227_200000210301 [1,1,0,0,0,0|2,0,0]=4 1645 B10R1.30 CSc1cc(ccc1O)Br 62a_200000210301_100012355227 [1,1,0,0,0,0|2,0,0]=4 1646 B10R1.30 CSc1cc(ccc1O)C 271570a_203496583355_200010709736 [1,1,0,0,0,0|2,0,0]=4 1647 B10R1.30 CSc1cc(ccc1O)C 62a_100000765521_200000210301 [1,1,0,0,0,0|2,0,0]=4 1648 B10R1.30 CSc1cc(ccc1O)C 62a_200000210301_100000765521 [1,1,0,0,0,0|2,0,0]=4 1649 B10R1.30 CSc1cc(ccc1O)Cl 62a_100011356953_200000210301 [1,1,0,0,0,0|2,0,0]=4 1650 B10R1.30 CSc1cc(ccc1O)Cl 62a_200000210301_100011356953 [1,1,0,0,0,0|2,0,0]=4 1651 B10R1.30 CSc1cc(ccc1O)F 62a_100000211999_200000210301 [1,1,0,0,0,0|2,0,0]=4 1652 B10R1.30 CSc1cc(ccc1O)F 62a_200000210301_100000211999 [1,1,0,0,0,0|2,0,0]=4 1653 B10R1.30 CSc1cc(ccc1O)N 62a_100011534360_200000210301 [1,1,0,0,0,0|2,0,0]=4 1654 B10R1.30 CSc1cc(ccc1O)N 62a_200000210301_100011534360 [1,1,0,0,0,0|2,0,0]=4 1655 B10R1.30 CSc1cc(ccc1O)O 62a_200000210301_100009813629 [1,1,0,0,0,0|2,0,0]=4 1656 B10R1.30 Cc1cc(c(cn1)O)CO 271570a_203496583355_100015579599 [1,1,0,0,0,0|1,0,1]=4 1657 B10R1.30 Cc1ccc(c(c1)C#N)O 271570a_203496583355_100011935190 [1,1,0,0,0,0|1,0,1]=4 1658 B10R1.30 Cc1ccc(c(c1)C=O)O 271570a_203496583355_100011551863 [1,1,0,0,0,0|0,0,0]=2 1659 B10R1.30 Cc1ccc(c(c1)CO)O 271570a_203496583355_100012361352 [1,1,0,0,0,0|0,0,1]=3 1660 B10R1.30 Cc1ccc(c(c1)N[13CH3])O 34a_100011215204_200025704644 [1,1,0,0,0,0|2,0,0]=4 1661 B10R1.30 Cc1ccc(c(c1)S[13CH3])O 62a_100000765521_200025704644 [1,1,0,0,0,0|2,0,0]=4 1662 B10R1.30 Cc1ccc(c(c1)S[13CH3])O 62a_200025704644_100000765521 [1,1,0,0,0,0|2,0,0]=4 1663 B10R1.30 Cc1ccc(c(n1)C=O)O 271570a_203496583355_100010173661 [1,1,0,0,0,0|1,0,0]=3 1664 B10R1.30 Cc1ccc(c(n1)CO)O 271570a_203496583355_100010074375 [1,1,0,0,0,0|1,0,1]=4 1665 B10R1.30 Cc1ccc(cc1C=O)O 271570a_203496583355_100011361606 [1,1,0,0,0,0|1,0,0]=3 1666 B10R1.30 Cc1ccc(cc1CO)O 271570a_203496583355_100000700630 [1,1,0,0,0,0|1,0,1]=4 1667 B10R1.30 Cc1cnc(c(c1)C=O)O 271570a_203496583355_100000050350 [1,1,0,0,0,0|1,0,0]=3 1668 B10R1.30 Cc1cnc(c(c1)CO)O 271570a_203496583355_100000118064 [1,1,0,0,0,0|1,0,1]=4 1669 B10R1.30 N#Cc1cc(ccc1O)Br 271570a_203496583355_100011219714 [1,1,0,0,0,0|1,0,1]=4 1670 B10R1.30 N#Cc1cc(ccc1O)Cl 271570a_203496583355_200011356825 [1,1,0,0,0,0|1,0,1]=4 1671 B10R1.30 N#Cc1cc(ccc1O)F 271570a_203496583355_100000747550 [1,1,0,0,0,0|1,0,1]=4 1672 B10R1.30 N#Cc1cc(ccc1O)N 271570a_203496583355_100011934039 [1,1,0,0,0,0|1,0,1]=4 1673 B10R1.30 N#Cc1cc(ccc1O)O 271570a_203496583355_100000687585 [1,1,0,0,0,0|1,0,1]=4 1674 B10R1.30 N#Cc1cc(ccc1O)O 271570a_203496583355_100009818209 [1,1,0,0,0,0|1,0,1]=4 1675 B10R1.30 NCc1cc(ccc1O)F 271570a_203496583355_100000742738 [1,1,0,0,0,0|1,0,1]=4 1676 B10R1.30 NCc1cc(ccc1O)O 271570a_203496583355_100000730032 [1,1,0,0,0,0|1,0,1]=4 1677 B10R1.30 NNc1cc(ccc1O)F 271570a_203496583355_100012362518 [1,1,0,0,0,0|2,0,0]=4 1678 B10R1.30 Nc1ccc(c(c1)CO)O 271570a_203496583355_100012347228 [1,1,0,0,0,0|0,0,1]=3 1679 B10R1.30 Nc1ccc(cc1C=O)O 271570a_203496583355_100011935258 [1,1,0,0,0,0|1,0,0]=3 1680 B10R1.30 Nc1ccc(cc1CO)O 271570a_203496583355_100012353972 [1,1,0,0,0,0|1,0,1]=4 1681 B10R1.30 Nc1ncc(cc1C=O)O 271570a_203496583355_100009814808 [1,1,0,0,0,0|2,0,0]=4 1682 B10R1.30 O=Cc1cc(ccc1Br)O 271570a_203496583355_100010185652 [1,1,0,0,0,0|1,0,0]=3 1683 B10R1.30 O=Cc1cc(ccc1Cl)O 271570a_203496583355_100010254384 [1,1,0,0,0,0|1,0,0]=3 1684 B10R1.30 O=Cc1cc(ccc1F)O 271570a_203496583355_100000211465 [1,1,0,0,0,0|1,0,0]=3 1685 B10R1.30 O=Cc1cc(ccc1O)Br 271570a_203496583355_100010185651 [1,1,0,0,0,0|0,0,0]=2 1686 B10R1.30 O=Cc1cc(ccc1O)Cl 271570a_203496583355_100010254386 [1,1,0,0,0,0|0,0,0]=2 1687 B10R1.30 O=Cc1cc(ccc1O)F 271570a_203496583355_100011218309 [1,1,0,0,0,0|0,0,0]=2 1688 B10R1.30 O=Cc1cc(ccc1O)O 271570a_203496583355_100000186750 [1,1,0,0,0,0|0,0,0]=2 1689 B10R1.30 O=Cc1cc(ccc1O)O 271570a_203496583355_100000690577 [1,1,0,0,0,0|0,0,0]=2 1690 B10R1.30 O=Cc1cc(cnc1F)O 271570a_203496583355_100009814789 [1,1,0,0,0,0|2,0,0]=4 1691 B10R1.30 O=Cc1cc(cnc1O)F 271570a_203496583355_100000079965 [1,1,0,0,0,0|1,0,0]=3 1692 B10R1.30 O=Cc1cc(ncc1F)O 271570a_203496583355_100000707870 [1,1,0,0,0,0|2,0,0]=4 1693 B10R1.30 O=Cc1nc(ccc1F)O 271570a_203496583355_100009814804 [1,1,0,0,0,0|2,0,0]=4 1694 B10R1.30 OCc1cc(ccc1Br)O 271570a_203496583355_100012359683 [1,1,0,0,0,0|1,0,1]=4 1695 B10R1.30 OCc1cc(ccc1Cl)O 271570a_203496583355_100010128486 [1,1,0,0,0,0|1,0,1]=4 1696 B10R1.30 OCc1cc(ccc1F)O 271570a_203496583355_100000049604 [1,1,0,0,0,0|1,0,1]=4 1697 B10R1.30 OCc1cc(ccc1O)Br 271570a_203496583355_100011356890 [1,1,0,0,0,0|0,0,1]=3 1698 B10R1.30 OCc1cc(ccc1O)F 271570a_203496583355_100011217561 [1,1,0,0,0,0|0,0,1]=3 1699 B10R1.30 OCc1cc(ccc1O)O 271570a_203496583355_100000184703 [1,1,0,0,0,0|0,0,1]=3 1700 B10R1.30 OCc1cc(ccc1O)O 271570a_203496583355_100012351483 [1,1,0,0,0,0|0,0,1]=3 1701 B10R1.30 OCc1cc(cnc1O)F 271570a_203496583355_100000079972 [1,1,0,0,0,0|1,0,1]=4 1702 B10R1.30 OCc1cc(cnc1O)O 271570a_203496583355_100010065268 [1,1,0,0,0,0|1,0,1]=4 1703 B10R1.30 OCc1nc(ccc1O)F 271570a_203496583355_100000701195 [1,1,0,0,0,0|1,0,1]=4 1704 B10R1.30 [13CH3]Nc1cc(ccc1O)Br 34a_100000752626_200025704644 [1,1,0,0,0,0|2,0,0]=4 1705 B10R1.30 [13CH3]Nc1cc(ccc1O)Cl 34a_100000210500_200025704644 [1,1,0,0,0,0|2,0,0]=4 1706 B10R1.30 [13CH3]Nc1cc(ccc1O)F 34a_100000759472_200025704644 [1,1,0,0,0,0|2,0,0]=4 1707 B10R1.30 [13CH3]Sc1cc(ccc1O)Br 62a_100012355227_200025704644 [1,1,0,0,0,0|2,0,0]=4 1708 B10R1.30 [13CH3]Sc1cc(ccc1O)Br 62a_200025704644_100012355227 [1,1,0,0,0,0|2,0,0]=4 1709 B10R1.30 [13CH3]Sc1cc(ccc1O)Cl 62a_100011356953_200025704644 [1,1,0,0,0,0|2,0,0]=4 1710 B10R1.30 [13CH3]Sc1cc(ccc1O)Cl 62a_200025704644_100011356953 [1,1,0,0,0,0|2,0,0]=4 1711 B10R1.30 [13CH3]Sc1cc(ccc1O)F 62a_100000211999_200025704644 [1,1,0,0,0,0|2,0,0]=4 1712 B10R1.30 [13CH3]Sc1cc(ccc1O)F 62a_200025704644_100000211999 [1,1,0,0,0,0|2,0,0]=4 1713 B10R1.30 [13CH3]Sc1cc(ccc1O)N 62a_100011534360_200025704644 [1,1,0,0,0,0|2,0,0]=4 1714 B10R1.30 [13CH3]Sc1cc(ccc1O)N 62a_200025704644_100011534360 [1,1,0,0,0,0|2,0,0]=4 1715 B10R1.30 [13CH3]Sc1cc(ccc1O)O 62a_200025704644_100009813629 [1,1,0,0,0,0|2,0,0]=4 1716 B10R1.245 C=Cc1c(cccc1Br)Br 271570a_100011290941_100009994525 [1,1,0,0,0,0|2,0,0]=4 1717 B10R1.245 C=Cc1c(cccc1Br)Cl 271570a_100011290941_100010214488 [1,1,0,0,0,0|2,0,0]=4 1718 B10R1.245 C=Cc1c(cccc1Br)F 271570a_100011290941_100011219512 [1,1,0,0,0,0|2,0,0]=4 1719 B10R1.245 C=Cc1c(cccc1Br)N 271570a_100011290941_100020590159 [1,1,0,0,0,0|2,0,0]=4 1720 B10R1.245 C=Cc1c(cccc1Br)O 271570a_100011290941_100010187912 [1,1,0,0,0,0|1,0,0]=3 1721 B10R1.245 C=Cc1c(cccc1C)C 271570a_100011290941_100000033847 [1,1,0,0,0,0|2,0,0]=4 1722 B10R1.245 C=Cc1c(cccc1Cl)C 271570a_100011290941_100000043165 [1,1,0,0,0,0|2,0,0]=4 1723 B10R1.245 C=Cc1c(cccc1Cl)Cl 271570a_100011290941_100000034237 [1,1,0,0,0,0|2,0,0]=4 1724 B10R1.245 C=Cc1c(cccc1Cl)F 271570a_100011290941_100000050007 [1,1,0,0,0,0|2,0,0]=4 1725 B10R1.245 C=Cc1c(cccc1Cl)N 271570a_100011290941_100000049713 [1,1,0,0,0,0|2,0,0]=4 1726 B10R1.245 C=Cc1c(cccc1Cl)O 271570a_100011290941_100000050174 [1,1,0,0,0,0|1,0,0]=3 1727 B10R1.245 C=Cc1c(cccc1F)C 271570a_100011290941_100012349962 [1,1,0,0,0,0|2,0,0]=4 1728 B10R1.245 C=Cc1c(cccc1F)F 271570a_100011290941_100000693133 [1,1,0,0,0,0|2,0,0]=4 1729 B10R1.245 C=Cc1c(cccc1F)N 271570a_100011290941_100011934729 [1,1,0,0,0,0|2,0,0]=4 1730 B10R1.245 C=Cc1c(cccc1F)O 271570a_100011290941_100009820682 [1,1,0,0,0,0|1,0,0]=3 1731 B10R1.245 C=Cc1c(cccc1N)C 271570a_100011290941_100000684715 [1,1,0,0,0,0|2,0,0]=4 1732 B10R1.245 C=Cc1c(cccc1O)C 271570a_100011290941_100000686692 [1,1,0,0,0,0|1,0,0]=3 1733 B10R1.245 C=Cc1c(cccc1O)N 271570a_100011290941_100012183704 [1,1,0,0,0,0|1,0,0]=3 1734 B10R1.245 C=Cc1c(cccc1O)O 271570a_100011290941_100010205330 [1,1,0,0,0,0|1,0,0]=3 1735 B10R1.245 C=Cc1c(ccnc1O)C 271570a_100011290941_100012000493 [1,1,0,0,0,0|2,0,0]=4 1736 B10R1.245 C=Cc1c(ccnc1O)O 271570a_100011290941_200009817435 [1,1,0,0,0,0|2,0,0]=4 1737 B10R1.245 CNc1c(cccc1Br)O 34a_100011934926_200000210301 [1,1,0,0,0,0|2,0,0]=4 1738 B10R1.245 CNc1c(cccc1Cl)O 34a_100012022510_200000210301 [1,1,0,0,0,0|2,0,0]=4 1739 B10R1.245 CNc1c(cccc1F)O 34a_100020591140_200000210301 [1,1,0,0,0,0|2,0,0]=4 1740 B10R1.245 CNc1c(cccc1O)C 34a_100000743429_200000210301 [1,1,0,0,0,0|2,0,0]=4 1741 B10R1.245 CNc1c(cccc1O)N 271570a_203496583355_100010510394 [1,1,0,0,0,0|2,0,0]=4 1742 B10R1.245 COc1c(cccc1Br)O 271570a_203496583355_100010146560 [1,1,0,0,0,0|2,0,0]=4 1743 B10R1.245 COc1c(cccc1Cl)O 271570a_203496583355_100010147678 [1,1,0,0,0,0|2,0,0]=4 1744 B10R1.245 COc1c(cccc1F)O 271570a_203496583355_100009816759 [1,1,0,0,0,0|2,0,0]=4 1745 B10R1.245 COc1c(cccc1O)C 271570a_203496583355_100010141385 [1,1,0,0,0,0|2,0,0]=4 1746 B10R1.245 COc1c(cccc1O)N 271570a_203496583355_100011935253 [1,1,0,0,0,0|2,0,0]=4 1747 B10R1.245 COc1c(cccc1O)O 271570a_203496583355_100010234590 [1,1,0,0,0,0|2,0,0]=4 1748 B10R1.245 CSc1c(cccc1Br)O 62a_100010187912_200000210301 [1,1,0,0,0,0|2,0,0]=4 1749 B10R1.245 CSc1c(cccc1Br)O 62a_200000210301_100010187912 [1,1,0,0,0,0|2,0,0]=4 1750 B10R1.245 CSc1c(cccc1Cl)O 62a_200000210301_100000050174 [1,1,0,0,0,0|2,0,0]=4 1751 B10R1.245 CSc1c(cccc1F)O 271570a_203496583355_200010709249 [1,1,0,0,0,0|2,0,0]=4 1752 B10R1.245 CSc1c(cccc1F)O 62a_100009820682_200000210301 [1,1,0,0,0,0|2,0,0]=4 1753 B10R1.245 CSc1c(cccc1F)O 62a_200000210301_100009820682 [1,1,0,0,0,0|2,0,0]=4 1754 B10R1.245 CSc1c(cccc1O)C 62a_100000686692_200000210301 [1,1,0,0,0,0|2,0,0]=4 1755 B10R1.245 CSc1c(cccc1O)C 62a_200000210301_100000686692 [1,1,0,0,0,0|2,0,0]=4 1756 B10R1.245 CSc1c(cccc1O)N 62a_100012183704_200000210301 [1,1,0,0,0,0|2,0,0]=4 1757 B10R1.245 CSc1c(cccc1O)N 62a_200000210301_100012183704 [1,1,0,0,0,0|2,0,0]=4 1758 B10R1.245 CSc1c(cccc1O)O 62a_200000210301_100010205330 [1,1,0,0,0,0|2,0,0]=4 1759 B10R1.245 Cc1cccc(c1C#N)O 271570a_203496583355_100009819585 [1,1,0,0,0,0|1,0,1]=4 1760 B10R1.245 Cc1cccc(c1C=O)O 271570a_203496583355_100000041122 [1,1,0,0,0,0|0,0,0]=2 1761 B10R1.245 Cc1cccc(c1N[13CH3])O 34a_100000743429_200025704644 [1,1,0,0,0,0|2,0,0]=4 1762 B10R1.245 Cc1cccc(c1S[13CH3])O 62a_100000686692_200025704644 [1,1,0,0,0,0|2,0,0]=4 1763 B10R1.245 Cc1cccc(c1S[13CH3])O 62a_200025704644_100000686692 [1,1,0,0,0,0|2,0,0]=4 1764 B10R1.245 N#Cc1c(cccc1Br)O 271570a_203496583355_100010071968 [1,1,0,0,0,0|1,0,1]=4 1765 B10R1.245 N#Cc1c(cccc1Cl)O 271570a_203496583355_200000049503 [1,1,0,0,0,0|1,0,1]=4 1766 B10R1.245 N#Cc1c(cccc1F)O 271570a_203496583355_100000699744 [1,1,0,0,0,0|1,0,1]=4 1767 B10R1.245 N#Cc1c(cccc1O)N 271570a_203496583355_100011935054 [1,1,0,0,0,0|1,0,1]=4 1768 B10R1.245 N#Cc1c(cccc1O)O 271570a_203496583355_100012180507 [1,1,0,0,0,0|1,0,1]=4 1769 B10R1.245 NCc1c(cccc1F)O 271570a_203496583355_100012349121 [1,1,0,0,0,0|1,0,1]=4 1770 B10R1.245 NNc1c(cccc1F)O 271570a_203496583355_100016994982 [1,1,0,0,0,0|2,0,0]=4 1771 B10R1.245 Nc1cccc(c1C=O)O 271570a_203496583355_100010232536 [1,1,0,0,0,0|0,0,0]=2 1772 B10R1.245 Nc1cccc(c1CO)O 271570a_203496583355_100000747656 [1,1,0,0,0,0|0,0,1]=3 1773 B10R1.245 Nc1nccc(c1C=O)O 271570a_203496583355_100009843235 [1,1,0,0,0,0|1,0,0]=3 1774 B10R1.245 Nc1ncnc(c1C=O)O 271570a_203496583355_100000765549 [1,1,0,0,0,0|2,0,0]=4 1775 B10R1.245 O=Cc1c(cccc1Cl)O 271570a_203496583355_100010147682 [1,1,0,0,0,0|0,0,0]=2 1776 B10R1.245 O=Cc1c(cccc1F)O 271570a_203496583355_100000210083 [1,1,0,0,0,0|0,0,0]=2 1777 B10R1.245 O=Cc1c(cccc1O)O 271570a_203496583355_100009814793 [1,1,0,0,0,0|0,0,0]=2 1778 B10R1.245 O=Cc1c(ccnc1Cl)O 271570a_203496583355_100000047006 [1,1,0,0,0,0|1,0,0]=3 1779 B10R1.245 O=Cc1c(ccnc1F)O 271570a_203496583355_100009828249 [1,1,0,0,0,0|1,0,0]=3 1780 B10R1.245 O=Cc1c(ccnc1O)O 271570a_203496583355_200010729673 [1,1,0,0,0,0|1,0,0]=3 1781 B10R1.245 O=Cc1c(cncc1F)O 271570a_203496583355_100010064882 [1,1,0,0,0,0|1,0,0]=3 1782 B10R1.245 OCc1c(cccc1F)O 271570a_203496583355_100012355691 [1,1,0,0,0,0|0,0,1]=3 1783 B10R1.245 OCc1c(ccnc1Cl)O 271570a_203496583355_100000047008 [1,1,0,0,0,0|1,0,1]=4 1784 B10R1.245 OCc1c(ccnc1F)O 271570a_203496583355_100000050056 [1,1,0,0,0,0|1,0,1]=4 1785 B10R1.245 [13CH3]Nc1c(cccc1Br)O 34a_100011934926_200025704644 [1,1,0,0,0,0|2,0,0]=4 1786 B10R1.245 [13CH3]Nc1c(cccc1Cl)O 34a_100012022510_200025704644 [1,1,0,0,0,0|2,0,0]=4 1787 B10R1.245 [13CH3]Nc1c(cccc1F)O 34a_100020591140_200025704644 [1,1,0,0,0,0|2,0,0]=4 1788 B10R1.245 [13CH3]Sc1c(cccc1Br)O 62a_100010187912_200025704644 [1,1,0,0,0,0|2,0,0]=4 1789 B10R1.245 [13CH3]Sc1c(cccc1Br)O 62a_200025704644_100010187912 [1,1,0,0,0,0|2,0,0]=4 1790 B10R1.245 [13CH3]Sc1c(cccc1Cl)O 62a_200025704644_100000050174 [1,1,0,0,0,0|2,0,0]=4 1791 B10R1.245 [13CH3]Sc1c(cccc1F)O 62a_100009820682_200025704644 [1,1,0,0,0,0|2,0,0]=4 1792 B10R1.245 [13CH3]Sc1c(cccc1F)O 62a_200025704644_100009820682 [1,1,0,0,0,0|2,0,0]=4 1793 B10R1.245 [13CH3]Sc1c(cccc1O)N 62a_100012183704_200025704644 [1,1,0,0,0,0|2,0,0]=4 1794 B10R1.245 [13CH3]Sc1c(cccc1O)N 62a_200025704644_100012183704 [1,1,0,0,0,0|2,0,0]=4 1795 B10R1.245 [13CH3]Sc1c(cccc1O)O 62a_200025704644_100010205330 [1,1,0,0,0,0|2,0,0]=4 1796 B10R1.149 COC(=O)c1[nH]ccc1O 271570a_203496583355_100102525103 [0,1,0,0,1,0|1,0,0]=3 1797 B10R1.149 COC(=O)c1[nH]cnc1O 271570a_203496583355_100010290838 [0,1,0,0,1,0|2,0,0]=4 1798 B10R1.149 COC(=O)c1[nH]ncc1O 271570a_203496583355_100011934057 [0,1,0,0,1,0|2,0,0]=4 1799 B10R1.149 COC(=O)c1ccoc1O 271570a_203496583355_100011935261 [0,1,0,0,1,0|1,0,0]=3 1800 B10R1.149 COC(=O)c1ccsc1O 271570a_203496583355_100009822520 [0,1,0,0,1,0|1,0,0]=3 1801 B10R1.149 COC(=O)c1cscc1O 271570a_203496583355_100012351140 [0,1,0,0,1,0|1,0,0]=3 1802 B10R1.149 COC(=O)c1ncsc1O 271570a_203496583355_100009816836 [0,1,0,0,1,0|2,0,0]=4 1803 B10R1.149 COC(=O)c1occc1O 271570a_203496583355_100012676306 [0,1,0,0,1,0|1,0,0]=3 1804 B10R1.149 COC(=O)c1sccc1O 271570a_203496583355_100000730364 [0,1,0,0,1,0|1,0,0]=3 1805 B10R1.149 COC(=O)c1scnc1O 271570a_203496583355_100013370767 [0,1,0,0,1,0|2,0,0]=4 1806 B12R1.75 C#Cc1ccccc1NC(=O)C 11a_100011470550_100015343762 [0,1,0,0,0,1|2,0,0]=4 1807 B12R1.75 C#Cc1ccccc1NC(=O)C 1626a_100011470550_100015343762 [0,1,0,0,0,1|2,0,0]=4 1808 B12R1.75 C#Cc1ccccc1NC(=O)C 22a_100011470550_100000070787 [0,1,0,0,0,1|2,0,0]=4 1809 B12R1.75 C=Cc1ccccc1CC(=O)C 271570a_100011290941_100011350739 [0,1,0,0,0,1|2,0,0]=4 1810 B12R1.75 C=Cc1ccccc1CC(=O)N 271570a_100011290941_200009814924 [0,1,0,0,0,1|2,0,0]=4 1811 B12R1.75 C=Cc1ccccc1NC(=O)C 11a_100012022501_100015343762 [0,1,0,0,0,1|2,0,0]=4 1812 B12R1.75 C=Cc1ccccc1NC(=O)C 1626a_100012022501_100015343762 [0,1,0,0,0,1|2,0,0]=4 1813 B12R1.75 C=Cc1ccccc1NC(=O)C 22a_100012022501_100000070787 [0,1,0,0,0,1|2,0,0]=4 1814 B12R1.75 C=Cc1ccccc1NC(=O)C 271570a_100011290941_100000153524 [0,1,0,0,0,1|2,0,0]=4 1815 B12R1.75 C=Cc1ccccc1NC(=O)N 271570a_100011290941_100000742221 [0,1,0,0,0,1|2,0,0]=4 1816 B12R1.75 C=Cc1ccccc1OC(=O)C 271570a_100011290941_100000051690 [0,1,0,0,0,1|2,0,0]=4 1817 B12R1.75 CC(=Cc1ccccc1CO)C 271570a_100102525489_100000187465 [0,1,0,0,0,1|2,0,0]=4 1818 B12R1.75 CC(=O)Cc1ccccc1C#N 1458a_100000070787_100000181865 [0,1,0,0,0,1|2,0,0]=4 1819 B12R1.75 CC(=O)Cc1ccccc1C#N 1458a_100000238613_200000210301 [0,1,0,0,0,1|2,0,0]=4 1820 B12R1.75 CC(=O)Cc1ccccc1C=O 1458a_100000070787_200009853537 [0,1,0,0,0,1|1,0,1]=4 1821 B12R1.75 CC(=O)Cc1ccccc1CO 1458a_100000070787_100009816955 [0,1,0,0,0,1|1,0,0]=3 1822 B12R1.75 CC(=O)Cc1ccccc1S[13CH3] 62a_100011350739_200025704644 [0,1,0,0,0,1|1,1,0]=4 1823 B12R1.75 CC(=O)Cc1ccccc1S[13CH3] 62a_200025704644_100011350739 [0,1,0,0,0,1|1,1,0]=4 1824 B12R1.75 CC(=O)Nc1ccccc1C#N 11a_100000211148_100015343762 [0,1,0,0,0,1|2,0,0]=4 1825 B12R1.75 CC(=O)Nc1ccccc1C#N 1626a_100000211148_100015343762 [0,1,0,0,0,1|2,0,0]=4 1826 B12R1.75 CC(=O)Nc1ccccc1CO 22a_100000212039_100000070787 [0,1,0,0,0,1|1,0,0]=3 1827 B12R1.75 CC(=O)Nc1ccccc1N[13CH3] 34a_100011193560_200025704644 [0,1,0,0,0,1|2,0,0]=4 1828 B12R1.75 CC(=O)Nc1ccccc1O[13CH3] 34a_100000185124_200025704644 [0,1,0,0,0,1|1,0,0]=3 1829 B12R1.75 CC(=O)Nc1ccccc1O[13CH3] 7a_100000185124_200025704644 [0,1,0,0,0,1|1,0,0]=3 1830 B12R1.75 CC(=O)Nc1ccccc1S[13CH3] 62a_200025704644_100000153524 [0,1,0,0,0,1|1,1,0]=4 1831 B12R1.75 CC(=O)Nc1ncccc1O[13CH3] 34a_200000022013_200025704644 [0,1,0,0,0,1|2,0,0]=4 1832 B12R1.75 CC(=O)Nc1ncccc1O[13CH3] 7a_200000022013_200025704644 [0,1,0,0,0,1|2,0,0]=4 1833 B12R1.75 CC(=O)Oc1ccccc1S[13CH3] 62a_100000051690_200025704644 [0,1,0,0,0,1|1,1,0]=4 1834 B12R1.75 CC(=O)Oc1ccccc1S[13CH3] 62a_200025704644_100000051690 [0,1,0,0,0,1|1,1,0]=4 1835 B12R1.75 CCc1ccccc1NC(=O)C 11a_100000212081_100015343762 [0,1,0,0,0,1|2,0,0]=4 1836 B12R1.75 CCc1ccccc1NC(=O)C 1626a_100000212081_100015343762 [0,1,0,0,0,1|2,0,0]=4 1837 B12R1.75 CCc1ccccc1NC(=O)C 22a_100000212081_100000070787 [0,1,0,0,0,1|2,0,0]=4 1838 B12R1.75 CCc1ccccc1NC(=O)C 527a_100000212081_100103153847 [0,1,0,0,0,1|2,0,0]=4 1839 B12R1.75 CNc1ccccc1NC(=O)C 34a_100011193560_200000210301 [0,1,0,0,0,1|2,0,0]=4 1840 B12R1.75 COc1ccccc1C=C(C)C 271570a_100102525489_100000174000 [0,1,0,0,0,1|2,0,0]=4 1841 B12R1.75 COc1ccccc1CC(=O)C 1458a_100000070787_100000210004 [0,1,0,0,0,1|1,0,0]=3 1842 B12R1.75 COc1ccccc1CC(=O)C 1458a_100000211604_200000210301 [0,1,0,0,0,1|1,0,0]=3 1843 B12R1.75 COc1ccccc1CC(=O)[13CH3] 1458a_100000211604_200025704644 [0,1,0,0,0,1|1,0,0]=3 1844 B12R1.75 COc1ccccc1NC(=O)C 11a_100000210025_100015343762 [0,1,0,0,0,1|1,0,0]=3 1845 B12R1.75 COc1ccccc1NC(=O)C 1626a_100000210025_100015343762 [0,1,0,0,0,1|1,0,0]=3 1846 B12R1.75 COc1ccccc1NC(=O)C 22a_100000210025_100000070787 [0,1,0,0,0,1|1,0,0]=3 1847 B12R1.75 COc1ccccc1NC(=O)C 34a_100000185124_200000210301 [0,1,0,0,0,1|1,0,0]=3 1848 B12R1.75 COc1ccccc1NC(=O)C 527a_100000210025_100103153847 [0,1,0,0,0,1|1,0,0]=3 1849 B12R1.75 COc1ccccc1NC(=O)C 7a_100000185124_200000210301 [0,1,0,0,0,1|1,0,0]=3 1850 B12R1.75 COc1ccccc1NC(=S)N 7a_200000011649_200000210301 [0,1,0,0,0,1|1,1,0]=4 1851 B12R1.75 COc1cccnc1NC(=O)C 34a_200000022013_200000210301 [0,1,0,0,0,1|2,0,0]=4 1852 B12R1.75 COc1cccnc1NC(=O)C 7a_200000022013_200000210301 [0,1,0,0,0,1|2,0,0]=4 1853 B12R1.75 COc1cnccc1CC(=O)C 1458a_100000070787_100020635607 [0,1,0,0,0,1|2,0,0]=4 1854 B12R1.75 COc1ncccc1CC(=O)C 1458a_100000070787_100020631285 [0,1,0,0,0,1|2,0,0]=4 1855 B12R1.75 CSc1ccccc1CC(=O)C 1458a_100000070787_100000699184 [0,1,0,0,0,1|1,1,0]=4 1856 B12R1.75 CSc1ccccc1CC(=O)C 62a_100011350739_200000210301 [0,1,0,0,0,1|1,1,0]=4 1857 B12R1.75 CSc1ccccc1CC(=O)C 62a_200000210301_100011350739 [0,1,0,0,0,1|1,1,0]=4 1858 B12R1.75 CSc1ccccc1CC(=O)N 62a_200000210301_200009814924 [0,1,0,0,0,1|1,1,0]=4 1859 B12R1.75 CSc1ccccc1CC(=O)N 62a_200009814924_200000210301 [0,1,0,0,0,1|1,1,0]=4 1860 B12R1.75 CSc1ccccc1NC(=O)C 11a_100000211160_100015343762 [0,1,0,0,0,1|1,1,0]=4 1861 B12R1.75 CSc1ccccc1NC(=O)C 22a_100000211160_100000070787 [0,1,0,0,0,1|1,1,0]=4 1862 B12R1.75 CSc1ccccc1NC(=O)C 62a_200000210301_100000153524 [0,1,0,0,0,1|1,1,0]=4 1863 B12R1.75 CSc1ccccc1NC(=O)N 62a_200000210301_100000742221 [0,1,0,0,0,1|1,1,0]=4 1864 B12R1.75 CSc1ccccc1OC(=O)C 62a_100000051690_200000210301 [0,1,0,0,0,1|1,1,0]=4 1865 B12R1.75 CSc1ccccc1OC(=O)C 62a_200000210301_100000051690 [0,1,0,0,0,1|1,1,0]=4 1866 B12R1.75 [13CH3]C(=O)Cc1ccccc1C#N 1458a_100000238613_200025704644 [0,1,0,0,0,1|2,0,0]=4 1867 B12R1.75 [13CH3]Oc1ccccc1NC(=S)N 7a_200000011649_200025704644 [0,1,0,0,0,1|1,1,0]=4 1868 B12R1.75 [13CH3]Sc1ccccc1CC(=O)N 62a_200009814924_200025704644 [0,1,0,0,0,1|1,1,0]=4 1869 B12R1.75 [13CH3]Sc1ccccc1CC(=O)N 62a_200025704644_200009814924 [0,1,0,0,0,1|1,1,0]=4 1870 B12R1.75 [13CH3]Sc1ccccc1NC(=O)N 62a_200025704644_100000742221 [0,1,0,0,0,1|1,1,0]=4 1871 B12R1.124 CC(=C(C)c1ccccc1O)C 271570a_200000049429_100000739446 [0,1,0,0,0,1|2,0,0]=4 1872 B12R1.124 CC(=O)C(C)c1ccccc1Br 1458a_100012359601_200000210301 [0,1,0,0,0,1|2,0,0]=4 1873 B12R1.124 CC(=O)C(C)c1ccccc1Cl 1458a_100000070787_100000181259 [0,1,0,0,0,1|2,0,0]=4 1874 B12R1.124 CC(=O)C(C)c1ccccc1Cl 1458a_100011667492_200000210301 [0,1,0,0,0,1|2,0,0]=4 1875 B12R1.124 CC(=O)C(C)c1ccccc1F 1458a_100000070787_200000741388 [0,1,0,0,0,1|2,0,0]=4 1876 B12R1.124 CC(=O)C(O)c1ccccc1Br 1458a_200011356456_200000210301 [0,1,0,0,0,1|2,0,0]=4 1877 B12R1.124 CC(=O)C(O)c1ccccc1Cl 1458a_100011217820_200000210301 [0,1,0,0,0,1|2,0,0]=4 1878 B12R1.124 CC(=O)C(O)c1ccccc1F 1458a_100011219519_200000210301 [0,1,0,0,0,1|2,0,0]=4 1879 B12R1.124 CC(=O)N(C)c1ccccc1Br 11a_100020606079_100015343762 [0,1,0,0,0,1|2,0,0]=4 1880 B12R1.124 CC(=O)N(C)c1ccccc1Br 1626a_100020606079_100015343762 [0,1,0,0,0,1|2,0,0]=4 1881 B12R1.124 CC(=O)N(C)c1ccccc1C 11a_100000219699_100015343762 [0,1,0,0,0,1|2,0,0]=4 1882 B12R1.124 CC(=O)N(C)c1ccccc1C 1626a_100000219699_100015343762 [0,1,0,0,0,1|2,0,0]=4 1883 B12R1.124 CC(=O)N(C)c1ccccc1C 22a_100000219699_100000070787 [0,1,0,0,0,1|2,0,0]=4 1884 B12R1.124 CC(=O)N(C)c1ccccc1Cl 11a_100000219374_100015343762 [0,1,0,0,0,1|2,0,0]=4 1885 B12R1.124 CC(=O)N(C)c1ccccc1Cl 1626a_100000219374_100015343762 [0,1,0,0,0,1|2,0,0]=4 1886 B12R1.124 CC(=O)N(C)c1ccccc1F 11a_100000220357_100015343762 [0,1,0,0,0,1|2,0,0]=4 1887 B12R1.124 CC(=O)N(C)c1ccccc1F 1626a_100000220357_100015343762 [0,1,0,0,0,1|2,0,0]=4 1888 B12R1.124 CC(=O)N(C)c1ccccc1F 22a_100000220357_100000070787 [0,1,0,0,0,1|2,0,0]=4 1889 B12R1.124 CC(=O)N(C)c1ccccc1O 22a_100000033821_100000070787 [0,1,0,0,0,1|1,0,0]=3 1890 B12R1.124 CC(=O)N(C)c1ccccc1O 527a_100000033821_100103153847 [0,1,0,0,0,1|1,0,0]=3 1891 B12R1.124 CC(C(=O)[13CH3])c1ccccc1Br 1458a_100012359601_200025704644 [0,1,0,0,0,1|2,0,0]=4 1892 B12R1.124 CC(C(=O)[13CH3])c1ccccc1Cl 1458a_100011667492_200025704644 [0,1,0,0,0,1|2,0,0]=4 1893 B12R1.124 [13CH3]C(=O)C(O)c1ccccc1Br 1458a_200011356456_200025704644 [0,1,0,0,0,1|2,0,0]=4 1894 B12R1.124 [13CH3]C(=O)C(O)c1ccccc1Cl 1458a_100011217820_200025704644 [0,1,0,0,0,1|2,0,0]=4 1895 B12R1.124 [13CH3]C(=O)C(O)c1ccccc1F 1458a_100011219519_200025704644 [0,1,0,0,0,1|2,0,0]=4 1896 B12R1.127 CC(=Cc1cc(ccc1O)Br)C 271570a_100102525489_100012355227 [0,1,0,0,0,1|2,0,0]=4 1897 B12R1.127 CC(=Cc1cc(ccc1O)C)C 271570a_100102525489_100000765521 [0,1,0,0,0,1|2,0,0]=4 1898 B12R1.127 CC(=Cc1cc(ccc1O)Cl)C 271570a_100102525489_100011356953 [0,1,0,0,0,1|2,0,0]=4 1899 B12R1.127 CC(=Cc1cc(ccc1O)F)C 271570a_100102525489_100000211999 [0,1,0,0,0,1|2,0,0]=4 1900 B12R1.127 CC(=Cc1cc(ccc1O)N)C 271570a_100102525489_100011534360 [0,1,0,0,0,1|2,0,0]=4 1901 B12R1.127 CC(=Cc1cc(ccc1O)O)C 271570a_100102525489_100009813629 [0,1,0,0,0,1|2,0,0]=4 1902 B12R1.127 CC(=O)Cc1cc(ccc1Br)Br 1458a_100000070787_100011982794 [0,1,0,0,0,1|2,0,0]=4 1903 B12R1.127 CC(=O)Cc1cc(ccc1Br)Br 1458a_100010004897_200000210301 [0,1,0,0,0,1|2,0,0]=4 1904 B12R1.127 CC(=O)Cc1cc(ccc1Br)C 1458a_100010004923_200000210301 [0,1,0,0,0,1|2,0,0]=4 1905 B12R1.127 CC(=O)Cc1cc(ccc1Br)Cl 1458a_100000070787_100000733903 [0,1,0,0,0,1|2,0,0]=4 1906 B12R1.127 CC(=O)Cc1cc(ccc1Br)Cl 1458a_100000690875_200000210301 [0,1,0,0,0,1|2,0,0]=4 1907 B12R1.127 CC(=O)Cc1cc(ccc1Br)F 1458a_100000070787_100000736370 [0,1,0,0,0,1|2,0,0]=4 1908 B12R1.127 CC(=O)Cc1cc(ccc1Br)F 1458a_100000690878_200000210301 [0,1,0,0,0,1|2,0,0]=4 1909 B12R1.127 CC(=O)Cc1cc(ccc1Br)I 1458a_100000070787_100012355412 [0,1,0,0,0,1|2,0,0]=4 1910 B12R1.127 CC(=O)Cc1cc(ccc1C)Br 1458a_100010244045_200000210301 [0,1,0,0,0,1|2,0,0]=4 1911 B12R1.127 CC(=O)Cc1cc(ccc1C)C 1458a_100000070787_100000184699 [0,1,0,0,0,1|2,0,0]=4 1912 B12R1.127 CC(=O)Cc1cc(ccc1C)C 1458a_100000749331_200000210301 [0,1,0,0,0,1|2,0,0]=4 1913 B12R1.127 CC(=O)Cc1cc(ccc1C)Cl 1458a_100000070787_100012186985 [0,1,0,0,0,1|2,0,0]=4 1914 B12R1.127 CC(=O)Cc1cc(ccc1C)F 1458a_100000070787_100000709795 [0,1,0,0,0,1|2,0,0]=4 1915 B12R1.127 CC(=O)Cc1cc(ccc1C)F 1458a_100011219217_200000210301 [0,1,0,0,0,1|2,0,0]=4 1916 B12R1.127 CC(=O)Cc1cc(ccc1Cl)Br 1458a_100000070787_100000763347 [0,1,0,0,0,1|2,0,0]=4 1917 B12R1.127 CC(=O)Cc1cc(ccc1Cl)Br 1458a_100011600618_200000210301 [0,1,0,0,0,1|2,0,0]=4 1918 B12R1.127 CC(=O)Cc1cc(ccc1Cl)C 1458a_100000070787_100009871730 [0,1,0,0,0,1|2,0,0]=4 1919 B12R1.127 CC(=O)Cc1cc(ccc1Cl)Cl 1458a_100000070787_100000754809 [0,1,0,0,0,1|2,0,0]=4 1920 B12R1.127 CC(=O)Cc1cc(ccc1Cl)Cl 1458a_100000748246_200000210301 [0,1,0,0,0,1|2,0,0]=4 1921 B12R1.127 CC(=O)Cc1cc(ccc1Cl)F 1458a_100000070787_100000709952 [0,1,0,0,0,1|2,0,0]=4 1922 B12R1.127 CC(=O)Cc1cc(ccc1Cl)F 1458a_100011830335_200000210301 [0,1,0,0,0,1|2,0,0]=4 1923 B12R1.127 CC(=O)Cc1cc(ccc1Cl)I 1458a_100000070787_100010188191 [0,1,0,0,0,1|2,0,0]=4 1924 B12R1.127 CC(=O)Cc1cc(ccc1F)Br 1458a_100000070787_100000736399 [0,1,0,0,0,1|2,0,0]=4 1925 B12R1.127 CC(=O)Cc1cc(ccc1F)Br 1458a_100000690877_200000210301 [0,1,0,0,0,1|2,0,0]=4 1926 B12R1.127 CC(=O)Cc1cc(ccc1F)C 1458a_100000070787_100011260760 [0,1,0,0,0,1|2,0,0]=4 1927 B12R1.127 CC(=O)Cc1cc(ccc1F)C 1458a_100011667363_200000210301 [0,1,0,0,0,1|2,0,0]=4 1928 B12R1.127 CC(=O)Cc1cc(ccc1F)Cl 1458a_100000070787_100000716957 [0,1,0,0,0,1|2,0,0]=4 1929 B12R1.127 CC(=O)Cc1cc(ccc1F)Cl 1458a_100011217548_200000210301 [0,1,0,0,0,1|2,0,0]=4 1930 B12R1.127 CC(=O)Cc1cc(ccc1F)F 1458a_100000070787_100000741279 [0,1,0,0,0,1|2,0,0]=4 1931 B12R1.127 CC(=O)Cc1cc(ccc1F)F 1458a_100000762760_200000210301 [0,1,0,0,0,1|2,0,0]=4 1932 B12R1.127 CC(=O)Cc1cc(ccc1F)I 1458a_100000070787_200010149601 [0,1,0,0,0,1|2,0,0]=4 1933 B12R1.127 CC(=O)Cc1cc(ccc1I)Br 1458a_100000070787_100012362523 [0,1,0,0,0,1|2,0,0]=4 1934 B12R1.127 CC(=O)Cc1cc(ccc1I)Cl 1458a_100000070787_100012348826 [0,1,0,0,0,1|2,0,0]=4 1935 B12R1.127 CC(=O)Cc1cc(ccc1I)F 1458a_100000070787_100010149606 [0,1,0,0,0,1|2,0,0]=4 1936 B12R1.127 CC(=O)Cc1cc(ccc1O)Br 1458a_100010072483_200000210301 [0,1,0,0,0,1|1,0,0]=3 1937 B12R1.127 CC(=O)Cc1cc(ccc1O)F 1458a_100000070787_100010161318 [0,1,0,0,0,1|1,0,0]=3 1938 B12R1.127 CC(=O)Cc1cc(ccc1O)O 1458a_100000038496_200000210301 [0,1,0,0,0,1|1,0,0]=3 1939 B12R1.127 CC(=O)Cc1cc(ccc1O)O 271570a_203496583355_200010006938 [0,1,0,0,0,1|1,0,0]=3 1940 B12R1.127 CC(=O)Cc1nc(ccc1O)C 1458a_100000070787_100020630696 [0,1,0,0,0,1|2,0,0]=4 1941 B12R1.127 CC(=O)Nc1cc(ccc1Br)Br 11a_100000737762_100015343762 [0,1,0,0,0,1|2,0,0]=4 1942 B12R1.127 CC(=O)Nc1cc(ccc1Br)Br 1626a_100000737762_100015343762 [0,1,0,0,0,1|2,0,0]=4 1943 B12R1.127 CC(=O)Nc1cc(ccc1Br)C 11a_100000745044_100015343762 [0,1,0,0,0,1|2,0,0]=4 1944 B12R1.127 CC(=O)Nc1cc(ccc1Br)C 1626a_100000745044_100015343762 [0,1,0,0,0,1|2,0,0]=4 1945 B12R1.127 CC(=O)Nc1cc(ccc1Br)Cl 11a_100000687073_100015343762 [0,1,0,0,0,1|2,0,0]=4 1946 B12R1.127 CC(=O)Nc1cc(ccc1Br)Cl 1626a_100000687073_100015343762 [0,1,0,0,0,1|2,0,0]=4 1947 B12R1.127 CC(=O)Nc1cc(ccc1Br)F 11a_100000687223_100015343762 [0,1,0,0,0,1|2,0,0]=4 1948 B12R1.127 CC(=O)Nc1cc(ccc1Br)F 1626a_100000687223_100015343762 [0,1,0,0,0,1|2,0,0]=4 1949 B12R1.127 CC(=O)Nc1cc(ccc1Br)I 11a_100000750456_100015343762 [0,1,0,0,0,1|2,0,0]=4 1950 B12R1.127 CC(=O)Nc1cc(ccc1Br)I 1626a_100000750456_100015343762 [0,1,0,0,0,1|2,0,0]=4 1951 B12R1.127 CC(=O)Nc1cc(ccc1Br)O 22a_100011999798_100000070787 [0,1,0,0,0,1|2,0,0]=4 1952 B12R1.127 CC(=O)Nc1cc(ccc1Br)O 527a_100011999798_100103153847 [0,1,0,0,0,1|2,0,0]=4 1953 B12R1.127 CC(=O)Nc1cc(ccc1C)Br 11a_100000741167_100015343762 [0,1,0,0,0,1|2,0,0]=4 1954 B12R1.127 CC(=O)Nc1cc(ccc1C)Br 1626a_100000741167_100015343762 [0,1,0,0,0,1|2,0,0]=4 1955 B12R1.127 CC(=O)Nc1cc(ccc1C)Br 22a_100000741167_100000070787 [0,1,0,0,0,1|2,0,0]=4 1956 B12R1.127 CC(=O)Nc1cc(ccc1C)Br 527a_100000741167_100103153847 [0,1,0,0,0,1|2,0,0]=4 1957 B12R1.127 CC(=O)Nc1cc(ccc1C)C 11a_100000185781_100015343762 [0,1,0,0,0,1|2,0,0]=4 1958 B12R1.127 CC(=O)Nc1cc(ccc1C)C 1626a_100000185781_100015343762 [0,1,0,0,0,1|2,0,0]=4 1959 B12R1.127 CC(=O)Nc1cc(ccc1C)C 22a_100000185781_100000070787 [0,1,0,0,0,1|2,0,0]=4 1960 B12R1.127 CC(=O)Nc1cc(ccc1C)Cl 11a_100000211374_100015343762 [0,1,0,0,0,1|2,0,0]=4 1961 B12R1.127 CC(=O)Nc1cc(ccc1C)Cl 1626a_100000211374_100015343762 [0,1,0,0,0,1|2,0,0]=4 1962 B12R1.127 CC(=O)Nc1cc(ccc1C)Cl 22a_100000211374_100000070787 [0,1,0,0,0,1|2,0,0]=4 1963 B12R1.127 CC(=O)Nc1cc(ccc1C)Cl 527a_100000211374_100103153847 [0,1,0,0,0,1|2,0,0]=4 1964 B12R1.127 CC(=O)Nc1cc(ccc1C)F 11a_100000211107_100015343762 [0,1,0,0,0,1|2,0,0]=4 1965 B12R1.127 CC(=O)Nc1cc(ccc1C)F 1626a_100000211107_100015343762 [0,1,0,0,0,1|2,0,0]=4 1966 B12R1.127 CC(=O)Nc1cc(ccc1C)F 22a_100000211107_100000070787 [0,1,0,0,0,1|2,0,0]=4 1967 B12R1.127 CC(=O)Nc1cc(ccc1C)I 11a_100000761890_100015343762 [0,1,0,0,0,1|2,0,0]=4 1968 B12R1.127 CC(=O)Nc1cc(ccc1C)I 1626a_100000761890_100015343762 [0,1,0,0,0,1|2,0,0]=4 1969 B12R1.127 CC(=O)Nc1cc(ccc1C)I 22a_100000761890_100000070787 [0,1,0,0,0,1|2,0,0]=4 1970 B12R1.127 CC(=O)Nc1cc(ccc1C)I 527a_100000761890_100103153847 [0,1,0,0,0,1|2,0,0]=4 1971 B12R1.127 CC(=O)Nc1cc(ccc1C)O 22a_100011216113_100000070787 [0,1,0,0,0,1|2,0,0]=4 1972 B12R1.127 CC(=O)Nc1cc(ccc1C)O 271570a_203496583355_100011344836 [0,1,0,0,0,1|2,0,0]=4 1973 B12R1.127 CC(=O)Nc1cc(ccc1C)O 527a_100011216113_100103153847 [0,1,0,0,0,1|2,0,0]=4 1974 B12R1.127 CC(=O)Nc1cc(ccc1Cl)Br 11a_100000750497_100015343762 [0,1,0,0,0,1|2,0,0]=4 1975 B12R1.127 CC(=O)Nc1cc(ccc1Cl)Br 1626a_100000750497_100015343762 [0,1,0,0,0,1|2,0,0]=4 1976 B12R1.127 CC(=O)Nc1cc(ccc1Cl)C 11a_100011215360_100015343762 [0,1,0,0,0,1|2,0,0]=4 1977 B12R1.127 CC(=O)Nc1cc(ccc1Cl)C 1626a_100011215360_100015343762 [0,1,0,0,0,1|2,0,0]=4 1978 B12R1.127 CC(=O)Nc1cc(ccc1Cl)C 22a_100011215360_100000070787 [0,1,0,0,0,1|2,0,0]=4 1979 B12R1.127 CC(=O)Nc1cc(ccc1Cl)Cl 11a_100000184485_100015343762 [0,1,0,0,0,1|2,0,0]=4 1980 B12R1.127 CC(=O)Nc1cc(ccc1Cl)Cl 1626a_100000184485_100015343762 [0,1,0,0,0,1|2,0,0]=4 1981 B12R1.127 CC(=O)Nc1cc(ccc1Cl)F 11a_100000751338_100015343762 [0,1,0,0,0,1|2,0,0]=4 1982 B12R1.127 CC(=O)Nc1cc(ccc1Cl)F 1626a_100000751338_100015343762 [0,1,0,0,0,1|2,0,0]=4 1983 B12R1.127 CC(=O)Nc1cc(ccc1Cl)I 11a_200000761891_100015343762 [0,1,0,0,0,1|2,0,0]=4 1984 B12R1.127 CC(=O)Nc1cc(ccc1Cl)I 1626a_200000761891_100015343762 [0,1,0,0,0,1|2,0,0]=4 1985 B12R1.127 CC(=O)Nc1cc(ccc1Cl)O 527a_100011934297_100103153847 [0,1,0,0,0,1|2,0,0]=4 1986 B12R1.127 CC(=O)Nc1cc(ccc1F)Br 11a_100000740924_100015343762 [0,1,0,0,0,1|2,0,0]=4 1987 B12R1.127 CC(=O)Nc1cc(ccc1F)Br 1626a_100000740924_100015343762 [0,1,0,0,0,1|2,0,0]=4 1988 B12R1.127 CC(=O)Nc1cc(ccc1F)Br 22a_100000740924_100000070787 [0,1,0,0,0,1|2,0,0]=4 1989 B12R1.127 CC(=O)Nc1cc(ccc1F)C 11a_100000211285_100015343762 [0,1,0,0,0,1|2,0,0]=4 1990 B12R1.127 CC(=O)Nc1cc(ccc1F)C 1626a_100000211285_100015343762 [0,1,0,0,0,1|2,0,0]=4 1991 B12R1.127 CC(=O)Nc1cc(ccc1F)C 22a_100000211285_100000070787 [0,1,0,0,0,1|2,0,0]=4 1992 B12R1.127 CC(=O)Nc1cc(ccc1F)C 527a_100000211285_100103153847 [0,1,0,0,0,1|2,0,0]=4 1993 B12R1.127 CC(=O)Nc1cc(ccc1F)Cl 11a_100000212115_100015343762 [0,1,0,0,0,1|2,0,0]=4 1994 B12R1.127 CC(=O)Nc1cc(ccc1F)Cl 1626a_100000212115_100015343762 [0,1,0,0,0,1|2,0,0]=4 1995 B12R1.127 CC(=O)Nc1cc(ccc1F)F 11a_100000210742_100015343762 [0,1,0,0,0,1|2,0,0]=4 1996 B12R1.127 CC(=O)Nc1cc(ccc1F)F 1626a_100000210742_100015343762 [0,1,0,0,0,1|2,0,0]=4 1997 B12R1.127 CC(=O)Nc1cc(ccc1F)F 22a_100000210742_100000070787 [0,1,0,0,0,1|2,0,0]=4 1998 B12R1.127 CC(=O)Nc1cc(ccc1F)I 11a_100011464823_100015343762 [0,1,0,0,0,1|2,0,0]=4 1999 B12R1.127 CC(=O)Nc1cc(ccc1F)I 1626a_100011464823_100015343762 [0,1,0,0,0,1|2,0,0]=4 2000 B12R1.127 CC(=O)Nc1cc(ccc1F)O 1626a_100012017239_100015343762 [0,1,0,0,0,1|2,0,0]=4 2001 B12R1.127 CC(=O)Nc1cc(ccc1F)O 22a_100012017239_100000070787 [0,1,0,0,0,1|2,0,0]=4 2002 B12R1.127 CC(=O)Nc1cc(ccc1F)O 271570a_203496583355_200011951791 [0,1,0,0,0,1|2,0,0]=4 2003 B12R1.127 CC(=O)Nc1cc(ccc1F)O 527a_100012017239_100103153847 [0,1,0,0,0,1|2,0,0]=4 2004 B12R1.127 CC(=O)Nc1cc(ccc1I)Br 11a_100000743836_100015343762 [0,1,0,0,0,1|2,0,0]=4 2005 B12R1.127 CC(=O)Nc1cc(ccc1I)Br 1626a_100000743836_100015343762 [0,1,0,0,0,1|2,0,0]=4 2006 B12R1.127 CC(=O)Nc1cc(ccc1I)C 11a_100011216686_100015343762 [0,1,0,0,0,1|2,0,0]=4 2007 B12R1.127 CC(=O)Nc1cc(ccc1I)C 1626a_100011216686_100015343762 [0,1,0,0,0,1|2,0,0]=4 2008 B12R1.127 CC(=O)Nc1cc(ccc1I)Cl 11a_100000761886_100015343762 [0,1,0,0,0,1|2,0,0]=4 2009 B12R1.127 CC(=O)Nc1cc(ccc1I)Cl 1626a_100000761886_100015343762 [0,1,0,0,0,1|2,0,0]=4 2010 B12R1.127 CC(=O)Nc1cc(ccc1I)Cl 22a_100000761886_100000070787 [0,1,0,0,0,1|2,0,0]=4 2011 B12R1.127 CC(=O)Nc1cc(ccc1I)F 11a_100011218093_100015343762 [0,1,0,0,0,1|2,0,0]=4 2012 B12R1.127 CC(=O)Nc1cc(ccc1I)F 1626a_100011218093_100015343762 [0,1,0,0,0,1|2,0,0]=4 2013 B12R1.127 CC(=O)Nc1cc(ccc1O)Br 22a_100000752626_100000070787 [0,1,0,0,0,1|1,0,0]=3 2014 B12R1.127 CC(=O)Nc1cc(ccc1O)Br 527a_100000752626_100103153847 [0,1,0,0,0,1|1,0,0]=3 2015 B12R1.127 CC(=O)Nc1cc(ccc1O)C 22a_100011215204_100000070787 [0,1,0,0,0,1|1,0,0]=3 2016 B12R1.127 CC(=O)Nc1cc(ccc1O)C 271570a_203496583355_100000182586 [0,1,0,0,0,1|1,0,0]=3 2017 B12R1.127 CC(=O)Nc1cc(ccc1O)C 527a_100011215204_100103153847 [0,1,0,0,0,1|1,0,0]=3 2018 B12R1.127 CC(=O)Nc1cc(ccc1O)Cl 22a_100000210500_100000070787 [0,1,0,0,0,1|1,0,0]=3 2019 B12R1.127 CC(=O)Nc1cc(ccc1O)Cl 527a_100000210500_100103153847 [0,1,0,0,0,1|1,0,0]=3 2020 B12R1.127 CC(=O)Nc1cc(ccc1O)F 22a_100000759472_100000070787 [0,1,0,0,0,1|1,0,0]=3 2021 B12R1.127 CC(=O)Nc1cc(ccc1O)F 271570a_203496583355_100012558231 [0,1,0,0,0,1|1,0,0]=3 2022 B12R1.127 CC(=O)Nc1cc(ccc1O)F 527a_100000759472_100103153847 [0,1,0,0,0,1|1,0,0]=3 2023 B12R1.127 CC(=O)Nc1cc(ccc1O)I 22a_100000753495_100000070787 [0,1,0,0,0,1|1,0,0]=3 2024 B12R1.127 CC(=O)Nc1cc(ccc1O)I 527a_100000753495_100103153847 [0,1,0,0,0,1|1,0,0]=3 2025 B12R1.127 CC(=O)Oc1cc(ccc1C)O 271570a_203496583355_100103282185 [0,1,0,0,0,1|2,0,0]=4 2026 B12R1.127 CC(=O)Oc1cc(ccc1O)F 271570a_203496583355_200015685721 [0,1,0,0,0,1|1,0,0]=3 2027 B12R1.127 Cc1ccc(c(c1)CC(=O)[13CH3])Br 1458a_100010004923_200025704644 [0,1,0,0,0,1|2,0,0]=4 2028 B12R1.127 Cc1ccc(c(c1)CC(=O)[13CH3])C 1458a_100000749331_200025704644 [0,1,0,0,0,1|2,0,0]=4 2029 B12R1.127 Cc1ccc(c(c1)CC(=O)[13CH3])F 1458a_100011667363_200025704644 [0,1,0,0,0,1|2,0,0]=4 2030 B12R1.127 Cc1ccc(cc1CC(=O)[13CH3])Br 1458a_100010244045_200025704644 [0,1,0,0,0,1|2,0,0]=4 2031 B12R1.127 Cc1ccc(cc1CC(=O)[13CH3])F 1458a_100011219217_200025704644 [0,1,0,0,0,1|2,0,0]=4 2032 B12R1.127 [13CH3]C(=O)Cc1cc(ccc1Br)Br 1458a_100010004897_200025704644 [0,1,0,0,0,1|2,0,0]=4 2033 B12R1.127 [13CH3]C(=O)Cc1cc(ccc1Br)Cl 1458a_100000690875_200025704644 [0,1,0,0,0,1|2,0,0]=4 2034 B12R1.127 [13CH3]C(=O)Cc1cc(ccc1Br)F 1458a_100000690878_200025704644 [0,1,0,0,0,1|2,0,0]=4 2035 B12R1.127 [13CH3]C(=O)Cc1cc(ccc1Cl)Br 1458a_100011600618_200025704644 [0,1,0,0,0,1|2,0,0]=4 2036 B12R1.127 [13CH3]C(=O)Cc1cc(ccc1Cl)Cl 1458a_100000748246_200025704644 [0,1,0,0,0,1|2,0,0]=4 2037 B12R1.127 [13CH3]C(=O)Cc1cc(ccc1Cl)F 1458a_100011830335_200025704644 [0,1,0,0,0,1|2,0,0]=4 2038 B12R1.127 [13CH3]C(=O)Cc1cc(ccc1F)Br 1458a_100000690877_200025704644 [0,1,0,0,0,1|2,0,0]=4 2039 B12R1.127 [13CH3]C(=O)Cc1cc(ccc1F)Cl 1458a_100011217548_200025704644 [0,1,0,0,0,1|2,0,0]=4 2040 B12R1.127 [13CH3]C(=O)Cc1cc(ccc1F)F 1458a_100000762760_200025704644 [0,1,0,0,0,1|2,0,0]=4 2041 B12R1.127 [13CH3]C(=O)Cc1cc(ccc1O)Br 1458a_100010072483_200025704644 [0,1,0,0,0,1|1,0,0]=3 2042 B12R1.127 [13CH3]C(=O)Cc1cc(ccc1O)O 1458a_100000038496_200025704644 [0,1,0,0,0,1|1,0,0]=3 2043 B12R1.151 CS(=O)(=O)Cc1ccccc1O 271570a_203496583355_100009814642 [0,1,0,0,0,1|1,0,1]=4 2044 B12R1.151 CS(=O)(=O)Nc1ccccc1O 271570a_203496583355_100000165598 [0,1,0,0,0,1|1,0,1]=4 2045 B12R1.224 CC(=Cc1cccc(c1O)Br)C 271570a_100102525489_100010084509 [0,1,0,0,0,1|2,0,0]=4 2046 B12R1.224 CC(=Cc1cccc(c1O)C)C 271570a_100102525489_100009817157 [0,1,0,0,0,1|2,0,0]=4 2047 B12R1.224 CC(=Cc1cccc(c1O)Cl)C 271570a_100102525489_100010202889 [0,1,0,0,0,1|2,0,0]=4 2048 B12R1.224 CC(=Cc1cccc(c1O)F)C 271570a_100102525489_100009813666 [0,1,0,0,0,1|2,0,0]=4 2049 B12R1.224 CC(=Cc1cccc(c1O)N)C 271570a_100102525489_100011934915 [0,1,0,0,0,1|2,0,0]=4 2050 B12R1.224 CC(=Cc1cccc(c1O)O)C 271570a_100102525489_100009815950 [0,1,0,0,0,1|2,0,0]=4 2051 B12R1.224 CC(=O)Cc1cccc(c1Br)C 1458a_100000070787_200012349612 [0,1,0,0,0,1|2,0,0]=4 2052 B12R1.224 CC(=O)Cc1cccc(c1Br)C 1458a_100010147021_200000210301 [0,1,0,0,0,1|2,0,0]=4 2053 B12R1.224 CC(=O)Cc1cccc(c1Br)Cl 1458a_100000070787_100010145525 [0,1,0,0,0,1|2,0,0]=4 2054 B12R1.224 CC(=O)Cc1cccc(c1Br)Cl 1458a_100010145769_200000210301 [0,1,0,0,0,1|2,0,0]=4 2055 B12R1.224 CC(=O)Cc1cccc(c1Br)F 1458a_100000070787_100012351116 [0,1,0,0,0,1|2,0,0]=4 2056 B12R1.224 CC(=O)Cc1cccc(c1Br)F 1458a_100012356664_200000210301 [0,1,0,0,0,1|2,0,0]=4 2057 B12R1.224 CC(=O)Cc1cccc(c1Br)I 1458a_100000070787_100010254545 [0,1,0,0,0,1|2,0,0]=4 2058 B12R1.224 CC(=O)Cc1cccc(c1C)Br 1458a_100000070787_100000694682 [0,1,0,0,0,1|2,0,0]=4 2059 B12R1.224 CC(=O)Cc1cccc(c1C)C 1458a_100000070787_100011515928 [0,1,0,0,0,1|2,0,0]=4 2060 B12R1.224 CC(=O)Cc1cccc(c1C)C 1458a_100011698479_200000210301 [0,1,0,0,0,1|2,0,0]=4 2061 B12R1.224 CC(=O)Cc1cccc(c1C)Cl 1458a_100000070787_100012186920 [0,1,0,0,0,1|2,0,0]=4 2062 B12R1.224 CC(=O)Cc1cccc(c1C)F 1458a_100000035905_200000210301 [0,1,0,0,0,1|2,0,0]=4 2063 B12R1.224 CC(=O)Cc1cccc(c1C)F 1458a_100000070787_100009813626 [0,1,0,0,0,1|2,0,0]=4 2064 B12R1.224 CC(=O)Cc1cccc(c1C)I 1458a_100000070787_100010150147 [0,1,0,0,0,1|2,0,0]=4 2065 B12R1.224 CC(=O)Cc1cccc(c1Cl)Br 1458a_100000070787_100012349491 [0,1,0,0,0,1|2,0,0]=4 2066 B12R1.224 CC(=O)Cc1cccc(c1Cl)Br 1458a_100010145770_200000210301 [0,1,0,0,0,1|2,0,0]=4 2067 B12R1.224 CC(=O)Cc1cccc(c1Cl)Cl 1458a_100000070787_100000720918 [0,1,0,0,0,1|2,0,0]=4 2068 B12R1.224 CC(=O)Cc1cccc(c1Cl)Cl 1458a_100000759314_200000210301 [0,1,0,0,0,1|2,0,0]=4 2069 B12R1.224 CC(=O)Cc1cccc(c1Cl)F 1458a_100000070787_100000696688 [0,1,0,0,0,1|2,0,0]=4 2070 B12R1.224 CC(=O)Cc1cccc(c1Cl)F 1458a_100012001123_200000210301 [0,1,0,0,0,1|2,0,0]=4 2071 B12R1.224 CC(=O)Cc1cccc(c1F)Br 1458a_100000070787_100012356507 [0,1,0,0,0,1|2,0,0]=4 2072 B12R1.224 CC(=O)Cc1cccc(c1F)Br 1458a_100011935088_200000210301 [0,1,0,0,0,1|2,0,0]=4 2073 B12R1.224 CC(=O)Cc1cccc(c1F)C 1458a_100000070787_100011216058 [0,1,0,0,0,1|2,0,0]=4 2074 B12R1.224 CC(=O)Cc1cccc(c1F)Cl 1458a_100000070787_100000716733 [0,1,0,0,0,1|2,0,0]=4 2075 B12R1.224 CC(=O)Cc1cccc(c1F)Cl 1458a_100000709823_200000210301 [0,1,0,0,0,1|2,0,0]=4 2076 B12R1.224 CC(=O)Cc1cccc(c1F)F 1458a_100000070787_100000217499 [0,1,0,0,0,1|2,0,0]=4 2077 B12R1.224 CC(=O)Cc1cccc(c1F)F 1458a_100000684727_200000210301 [0,1,0,0,0,1|2,0,0]=4 2078 B12R1.224 CC(=O)Cc1cccc(c1I)F 1458a_100000070787_100010149603 [0,1,0,0,0,1|2,0,0]=4 2079 B12R1.224 CC(=O)Nc1cccc(c1Br)C 11a_100000684715_100015343762 [0,1,0,0,0,1|2,0,0]=4 2080 B12R1.224 CC(=O)Nc1cccc(c1Br)C 1626a_100000684715_100015343762 [0,1,0,0,0,1|2,0,0]=4 2081 B12R1.224 CC(=O)Nc1cccc(c1Br)C 22a_100000684715_100000070787 [0,1,0,0,0,1|2,0,0]=4 2082 B12R1.224 CC(=O)Nc1cccc(c1Br)Cl 11a_100000687072_100015343762 [0,1,0,0,0,1|2,0,0]=4 2083 B12R1.224 CC(=O)Nc1cccc(c1Br)Cl 1626a_100000687072_100015343762 [0,1,0,0,0,1|2,0,0]=4 2084 B12R1.224 CC(=O)Nc1cccc(c1Br)F 11a_100011934729_100015343762 [0,1,0,0,0,1|2,0,0]=4 2085 B12R1.224 CC(=O)Nc1cccc(c1Br)F 1626a_100011934729_100015343762 [0,1,0,0,0,1|2,0,0]=4 2086 B12R1.224 CC(=O)Nc1cccc(c1Br)O 22a_100012183704_100000070787 [0,1,0,0,0,1|2,0,0]=4 2087 B12R1.224 CC(=O)Nc1cccc(c1C)Br 11a_100000750434_100015343762 [0,1,0,0,0,1|2,0,0]=4 2088 B12R1.224 CC(=O)Nc1cccc(c1C)Br 1626a_100000750434_100015343762 [0,1,0,0,0,1|2,0,0]=4 2089 B12R1.224 CC(=O)Nc1cccc(c1C)Br 22a_100000750434_100000070787 [0,1,0,0,0,1|2,0,0]=4 2090 B12R1.224 CC(=O)Nc1cccc(c1C)Br 527a_100000750434_100103153847 [0,1,0,0,0,1|2,0,0]=4 2091 B12R1.224 CC(=O)Nc1cccc(c1C)C 11a_100000210026_100015343762 [0,1,0,0,0,1|2,0,0]=4 2092 B12R1.224 CC(=O)Nc1cccc(c1C)C 1626a_100000210026_100015343762 [0,1,0,0,0,1|2,0,0]=4 2093 B12R1.224 CC(=O)Nc1cccc(c1C)C 22a_100000210026_100000070787 [0,1,0,0,0,1|2,0,0]=4 2094 B12R1.224 CC(=O)Nc1cccc(c1C)C 527a_100000210026_100103153847 [0,1,0,0,0,1|2,0,0]=4 2095 B12R1.224 CC(=O)Nc1cccc(c1C)Cl 11a_100000210441_100015343762 [0,1,0,0,0,1|2,0,0]=4 2096 B12R1.224 CC(=O)Nc1cccc(c1C)Cl 1626a_100000210441_100015343762 [0,1,0,0,0,1|2,0,0]=4 2097 B12R1.224 CC(=O)Nc1cccc(c1C)Cl 22a_100000210441_100000070787 [0,1,0,0,0,1|2,0,0]=4 2098 B12R1.224 CC(=O)Nc1cccc(c1C)Cl 527a_100000210441_100103153847 [0,1,0,0,0,1|2,0,0]=4 2099 B12R1.224 CC(=O)Nc1cccc(c1C)F 11a_100000745574_100015343762 [0,1,0,0,0,1|2,0,0]=4 2100 B12R1.224 CC(=O)Nc1cccc(c1C)F 1626a_100000745574_100015343762 [0,1,0,0,0,1|2,0,0]=4 2101 B12R1.224 CC(=O)Nc1cccc(c1C)F 22a_100000745574_100000070787 [0,1,0,0,0,1|2,0,0]=4 2102 B12R1.224 CC(=O)Nc1cccc(c1C)F 527a_100000745574_100103153847 [0,1,0,0,0,1|2,0,0]=4 2103 B12R1.224 CC(=O)Nc1cccc(c1C)I 11a_100000761887_100015343762 [0,1,0,0,0,1|2,0,0]=4 2104 B12R1.224 CC(=O)Nc1cccc(c1C)I 1626a_100000761887_100015343762 [0,1,0,0,0,1|2,0,0]=4 2105 B12R1.224 CC(=O)Nc1cccc(c1C)I 22a_100000761887_100000070787 [0,1,0,0,0,1|2,0,0]=4 2106 B12R1.224 CC(=O)Nc1cccc(c1C)I 527a_100000761887_100103153847 [0,1,0,0,0,1|2,0,0]=4 2107 B12R1.224 CC(=O)Nc1cccc(c1C)O 11a_100011216573_100015343762 [0,1,0,0,0,1|2,0,0]=4 2108 B12R1.224 CC(=O)Nc1cccc(c1C)O 22a_100011216573_100000070787 [0,1,0,0,0,1|2,0,0]=4 2109 B12R1.224 CC(=O)Nc1cccc(c1C)O 527a_100011216573_100103153847 [0,1,0,0,0,1|2,0,0]=4 2110 B12R1.224 CC(=O)Nc1cccc(c1Cl)Br 11a_100000687075_100015343762 [0,1,0,0,0,1|2,0,0]=4 2111 B12R1.224 CC(=O)Nc1cccc(c1Cl)Br 1626a_100000687075_100015343762 [0,1,0,0,0,1|2,0,0]=4 2112 B12R1.224 CC(=O)Nc1cccc(c1Cl)Br 527a_100000687075_100103153847 [0,1,0,0,0,1|2,0,0]=4 2113 B12R1.224 CC(=O)Nc1cccc(c1Cl)C 11a_100000765562_100015343762 [0,1,0,0,0,1|2,0,0]=4 2114 B12R1.224 CC(=O)Nc1cccc(c1Cl)C 1626a_100000765562_100015343762 [0,1,0,0,0,1|2,0,0]=4 2115 B12R1.224 CC(=O)Nc1cccc(c1Cl)C 22a_100000765562_100000070787 [0,1,0,0,0,1|2,0,0]=4 2116 B12R1.224 CC(=O)Nc1cccc(c1Cl)Cl 11a_100000185733_100015343762 [0,1,0,0,0,1|2,0,0]=4 2117 B12R1.224 CC(=O)Nc1cccc(c1Cl)Cl 1626a_100000185733_100015343762 [0,1,0,0,0,1|2,0,0]=4 2118 B12R1.224 CC(=O)Nc1cccc(c1Cl)F 11a_100000692321_100015343762 [0,1,0,0,0,1|2,0,0]=4 2119 B12R1.224 CC(=O)Nc1cccc(c1Cl)F 1626a_100000692321_100015343762 [0,1,0,0,0,1|2,0,0]=4 2120 B12R1.224 CC(=O)Nc1cccc(c1Cl)F 22a_100000692321_100000070787 [0,1,0,0,0,1|2,0,0]=4 2121 B12R1.224 CC(=O)Nc1cccc(c1Cl)O 22a_100012002038_100000070787 [0,1,0,0,0,1|2,0,0]=4 2122 B12R1.224 CC(=O)Nc1cccc(c1F)Br 11a_100011935091_100015343762 [0,1,0,0,0,1|2,0,0]=4 2123 B12R1.224 CC(=O)Nc1cccc(c1F)Br 1626a_100011935091_100015343762 [0,1,0,0,0,1|2,0,0]=4 2124 B12R1.224 CC(=O)Nc1cccc(c1F)Br 22a_100011935091_100000070787 [0,1,0,0,0,1|2,0,0]=4 2125 B12R1.224 CC(=O)Nc1cccc(c1F)Br 527a_100011935091_100103153847 [0,1,0,0,0,1|2,0,0]=4 2126 B12R1.224 CC(=O)Nc1cccc(c1F)C 11a_100000697159_100015343762 [0,1,0,0,0,1|2,0,0]=4 2127 B12R1.224 CC(=O)Nc1cccc(c1F)C 1626a_100000697159_100015343762 [0,1,0,0,0,1|2,0,0]=4 2128 B12R1.224 CC(=O)Nc1cccc(c1F)C 527a_100000697159_100103153847 [0,1,0,0,0,1|2,0,0]=4 2129 B12R1.224 CC(=O)Nc1cccc(c1F)Cl 11a_100000199060_100015343762 [0,1,0,0,0,1|2,0,0]=4 2130 B12R1.224 CC(=O)Nc1cccc(c1F)Cl 1626a_100000199060_100015343762 [0,1,0,0,0,1|2,0,0]=4 2131 B12R1.224 CC(=O)Nc1cccc(c1F)Cl 22a_100000199060_100000070787 [0,1,0,0,0,1|2,0,0]=4 2132 B12R1.224 CC(=O)Nc1cccc(c1F)F 11a_100000743855_100015343762 [0,1,0,0,0,1|2,0,0]=4 2133 B12R1.224 CC(=O)Nc1cccc(c1F)F 1626a_100000743855_100015343762 [0,1,0,0,0,1|2,0,0]=4 2134 B12R1.224 CC(=O)Nc1cccc(c1F)F 22a_100000743855_100000070787 [0,1,0,0,0,1|2,0,0]=4 2135 B12R1.224 CC(=O)Nc1cccc(c1I)Br 11a_100020590159_100015343762 [0,1,0,0,0,1|2,0,0]=4 2136 B12R1.224 CC(=O)Nc1cccc(c1I)Br 1626a_100020590159_100015343762 [0,1,0,0,0,1|2,0,0]=4 2137 B12R1.224 CC(=O)Nc1cccc(c1I)C 11a_100000761888_100015343762 [0,1,0,0,0,1|2,0,0]=4 2138 B12R1.224 CC(=O)Nc1cccc(c1I)C 1626a_100000761888_100015343762 [0,1,0,0,0,1|2,0,0]=4 2139 B12R1.224 CC(=O)Nc1cccc(c1I)Cl 11a_100000049713_100015343762 [0,1,0,0,0,1|2,0,0]=4 2140 B12R1.224 CC(=O)Nc1cccc(c1I)Cl 1626a_100000049713_100015343762 [0,1,0,0,0,1|2,0,0]=4 2141 B12R1.224 CC(=O)Nc1cccc(c1I)F 11a_100000690935_100015343762 [0,1,0,0,0,1|2,0,0]=4 2142 B12R1.224 CC(=O)Nc1cccc(c1I)F 1626a_100000690935_100015343762 [0,1,0,0,0,1|2,0,0]=4 2143 B12R1.224 CC(=O)Nc1cccc(c1O)Br 22a_100011934915_100000070787 [0,1,0,0,0,1|1,0,0]=3 2144 B12R1.224 CC(=O)Nc1cccc(c1O)Br 527a_100011934915_100103153847 [0,1,0,0,0,1|1,0,0]=3 2145 B12R1.224 CC(=O)Nc1cccc(c1O)C 11a_100000756359_100015343762 [0,1,0,0,0,1|1,0,0]=3 2146 B12R1.224 CC(=O)Nc1cccc(c1O)C 1626a_100000756359_100015343762 [0,1,0,0,0,1|1,0,0]=3 2147 B12R1.224 CC(=O)Nc1cccc(c1O)C 22a_100000756359_100000070787 [0,1,0,0,0,1|1,0,0]=3 2148 B12R1.224 CC(=O)Nc1cccc(c1O)C 527a_100000756359_100103153847 [0,1,0,0,0,1|1,0,0]=3 2149 B12R1.224 CC(=O)Nc1cccc(c1O)Cl 22a_100000754742_100000070787 [0,1,0,0,0,1|1,0,0]=3 2150 B12R1.224 CC(=O)Nc1cccc(c1O)Cl 527a_100000754742_100103153847 [0,1,0,0,0,1|1,0,0]=3 2151 B12R1.224 CC(=O)Nc1cccc(c1O)F 1626a_100011934987_100015343762 [0,1,0,0,0,1|1,0,0]=3 2152 B12R1.224 CC(=O)Nc1cccc(c1O)F 22a_100011934987_100000070787 [0,1,0,0,0,1|1,0,0]=3 2153 B12R1.224 CC(=O)Nc1cccc(c1O)F 527a_100011934987_100103153847 [0,1,0,0,0,1|1,0,0]=3 2154 B12R1.224 CC(=O)Nc1cccc(c1O)I 1626a_100010084371_100015343762 [0,1,0,0,0,1|1,0,0]=3 2155 B12R1.224 CC(=O)Nc1cccc(c1O)I 22a_100010084371_100000070787 [0,1,0,0,0,1|1,0,0]=3 2156 B12R1.224 CC(=O)Nc1cccc(c1O)I 527a_100010084371_100103153847 [0,1,0,0,0,1|1,0,0]=3 2157 B12R1.224 Cc1c(cccc1CC(=O)[13CH3])F 1458a_100000035905_200025704644 [0,1,0,0,0,1|2,0,0]=4 2158 B12R1.224 Cc1cccc(c1Br)CC(=O)[13CH3] 1458a_100010147021_200025704644 [0,1,0,0,0,1|2,0,0]=4 2159 B12R1.224 Cc1cccc(c1C)CC(=O)[13CH3] 1458a_100011698479_200025704644 [0,1,0,0,0,1|2,0,0]=4 2160 B12R1.224 Cc1cccc(c1O)CC(=O)N 271570a_203496583355_100011096275 [0,1,0,0,0,1|1,0,0]=3 2161 B12R1.224 [13CH3]C(=O)Cc1cccc(c1Br)Cl 1458a_100010145769_200025704644 [0,1,0,0,0,1|2,0,0]=4 2162 B12R1.224 [13CH3]C(=O)Cc1cccc(c1Br)F 1458a_100012356664_200025704644 [0,1,0,0,0,1|2,0,0]=4 2163 B12R1.224 [13CH3]C(=O)Cc1cccc(c1Cl)Br 1458a_100010145770_200025704644 [0,1,0,0,0,1|2,0,0]=4 2164 B12R1.224 [13CH3]C(=O)Cc1cccc(c1Cl)Cl 1458a_100000759314_200025704644 [0,1,0,0,0,1|2,0,0]=4 2165 B12R1.224 [13CH3]C(=O)Cc1cccc(c1Cl)F 1458a_100012001123_200025704644 [0,1,0,0,0,1|2,0,0]=4 2166 B12R1.224 [13CH3]C(=O)Cc1cccc(c1F)Br 1458a_100011935088_200025704644 [0,1,0,0,0,1|2,0,0]=4 2167 B12R1.224 [13CH3]C(=O)Cc1cccc(c1F)Cl 1458a_100000709823_200025704644 [0,1,0,0,0,1|2,0,0]=4 2168 B12R1.224 [13CH3]C(=O)Cc1cccc(c1F)F 1458a_100000684727_200025704644 [0,1,0,0,0,1|2,0,0]=4 2169 B12R1.233 CC(=Cc1ccc(cc1O)Br)C 271570a_100102525489_100012344904 [0,1,0,0,0,1|2,0,0]=4 2170 B12R1.233 CC(=Cc1ccc(cc1O)C)C 271570a_100102525489_100012002257 [0,1,0,0,0,1|2,0,0]=4 2171 B12R1.233 CC(=Cc1ccc(cc1O)Cl)C 271570a_100102525489_100000050036 [0,1,0,0,0,1|2,0,0]=4 2172 B12R1.233 CC(=Cc1ccc(cc1O)F)C 271570a_100102525489_100000690578 [0,1,0,0,0,1|2,0,0]=4 2173 B12R1.233 CC(=Cc1ccc(cc1O)O)C 271570a_100102525489_100009813921 [0,1,0,0,0,1|2,0,0]=4 2174 B12R1.233 CC(=O)Cc1ccc(cc1Br)Br 1458a_100000070787_200012351560 [0,1,0,0,0,1|2,0,0]=4 2175 B12R1.233 CC(=O)Cc1ccc(cc1Br)Br 1458a_100010172832_200000210301 [0,1,0,0,0,1|2,0,0]=4 2176 B12R1.233 CC(=O)Cc1ccc(cc1Br)Cl 1458a_100000070787_100000755608 [0,1,0,0,0,1|2,0,0]=4 2177 B12R1.233 CC(=O)Cc1ccc(cc1Br)Cl 1458a_100000755479_200000210301 [0,1,0,0,0,1|2,0,0]=4 2178 B12R1.233 CC(=O)Cc1ccc(cc1Br)F 1458a_100000070787_100000243222 [0,1,0,0,0,1|2,0,0]=4 2179 B12R1.233 CC(=O)Cc1ccc(cc1Br)F 1458a_100000708238_200000210301 [0,1,0,0,0,1|2,0,0]=4 2180 B12R1.233 CC(=O)Cc1ccc(cc1Br)I 1458a_100000070787_100010146610 [0,1,0,0,0,1|2,0,0]=4 2181 B12R1.233 CC(=O)Cc1ccc(cc1Br)O 1458a_100010176083_200000210301 [0,1,0,0,0,1|2,0,0]=4 2182 B12R1.233 CC(=O)Cc1ccc(cc1C)Br 1458a_100000070787_100000708836 [0,1,0,0,0,1|2,0,0]=4 2183 B12R1.233 CC(=O)Cc1ccc(cc1C)Br 1458a_100000697930_200000210301 [0,1,0,0,0,1|2,0,0]=4 2184 B12R1.233 CC(=O)Cc1ccc(cc1C)C 1458a_100000070787_100011219618 [0,1,0,0,0,1|2,0,0]=4 2185 B12R1.233 CC(=O)Cc1ccc(cc1C)C 1458a_100011236500_200000210301 [0,1,0,0,0,1|2,0,0]=4 2186 B12R1.233 CC(=O)Cc1ccc(cc1C)Cl 1458a_100000070787_100012361307 [0,1,0,0,0,1|2,0,0]=4 2187 B12R1.233 CC(=O)Cc1ccc(cc1C)F 1458a_100000070787_100000700533 [0,1,0,0,0,1|2,0,0]=4 2188 B12R1.233 CC(=O)Cc1ccc(cc1C)F 1458a_100011667441_200000210301 [0,1,0,0,0,1|2,0,0]=4 2189 B12R1.233 CC(=O)Cc1ccc(cc1Cl)Br 1458a_100000070787_100011740631 [0,1,0,0,0,1|2,0,0]=4 2190 B12R1.233 CC(=O)Cc1ccc(cc1Cl)Br 1458a_100012361378_200000210301 [0,1,0,0,0,1|2,0,0]=4 2191 B12R1.233 CC(=O)Cc1ccc(cc1Cl)C 1458a_100000070787_100012349684 [0,1,0,0,0,1|2,0,0]=4 2192 B12R1.233 CC(=O)Cc1ccc(cc1Cl)Cl 1458a_100000070787_100000188473 [0,1,0,0,0,1|2,0,0]=4 2193 B12R1.233 CC(=O)Cc1ccc(cc1Cl)Cl 1458a_100000210926_200000210301 [0,1,0,0,0,1|2,0,0]=4 2194 B12R1.233 CC(=O)Cc1ccc(cc1Cl)F 1458a_100000070787_100011216360 [0,1,0,0,0,1|2,0,0]=4 2195 B12R1.233 CC(=O)Cc1ccc(cc1Cl)F 1458a_100000690284_200000210301 [0,1,0,0,0,1|2,0,0]=4 2196 B12R1.233 CC(=O)Cc1ccc(cc1F)Br 1458a_100000070787_100000211606 [0,1,0,0,0,1|2,0,0]=4 2197 B12R1.233 CC(=O)Cc1ccc(cc1F)Br 1458a_100011295475_200000210301 [0,1,0,0,0,1|2,0,0]=4 2198 B12R1.233 CC(=O)Cc1ccc(cc1F)C 1458a_100000042674_200000210301 [0,1,0,0,0,1|2,0,0]=4 2199 B12R1.233 CC(=O)Cc1ccc(cc1F)C 1458a_100000070787_100012002367 [0,1,0,0,0,1|2,0,0]=4 2200 B12R1.233 CC(=O)Cc1ccc(cc1F)Cl 1458a_100000070787_100000709361 [0,1,0,0,0,1|2,0,0]=4 2201 B12R1.233 CC(=O)Cc1ccc(cc1F)Cl 1458a_100011830378_200000210301 [0,1,0,0,0,1|2,0,0]=4 2202 B12R1.233 CC(=O)Cc1ccc(cc1F)F 1458a_100000070787_100000748237 [0,1,0,0,0,1|2,0,0]=4 2203 B12R1.233 CC(=O)Cc1ccc(cc1F)F 1458a_100000684719_200000210301 [0,1,0,0,0,1|2,0,0]=4 2204 B12R1.233 CC(=O)Cc1ccc(cc1F)I 1458a_100000070787_100010244991 [0,1,0,0,0,1|2,0,0]=4 2205 B12R1.233 CC(=O)Cc1ccc(cc1F)I 1458a_100010149628_200000210301 [0,1,0,0,0,1|2,0,0]=4 2206 B12R1.233 CC(=O)Cc1ccc(cc1F)O 1458a_100000090534_200000210301 [0,1,0,0,0,1|2,0,0]=4 2207 B12R1.233 CC(=O)Cc1ccc(cc1I)Br 1458a_100000070787_100010146615 [0,1,0,0,0,1|2,0,0]=4 2208 B12R1.233 CC(=O)Cc1ccc(cc1I)Cl 1458a_100000070787_100010254388 [0,1,0,0,0,1|2,0,0]=4 2209 B12R1.233 CC(=O)Cc1ccc(cc1I)F 1458a_100000070787_100012354799 [0,1,0,0,0,1|2,0,0]=4 2210 B12R1.233 CC(=O)Cc1ccc(cc1O)Br 1458a_100000707504_200000210301 [0,1,0,0,0,1|1,0,0]=3 2211 B12R1.233 CC(=O)Nc1ccc(cc1Br)Br 11a_100000211012_100015343762 [0,1,0,0,0,1|2,0,0]=4 2212 B12R1.233 CC(=O)Nc1ccc(cc1Br)Br 1626a_100000211012_100015343762 [0,1,0,0,0,1|2,0,0]=4 2213 B12R1.233 CC(=O)Nc1ccc(cc1Br)C 11a_100000210942_100015343762 [0,1,0,0,0,1|2,0,0]=4 2214 B12R1.233 CC(=O)Nc1ccc(cc1Br)C 1626a_100000210942_100015343762 [0,1,0,0,0,1|2,0,0]=4 2215 B12R1.233 CC(=O)Nc1ccc(cc1Br)Cl 11a_100000752454_100015343762 [0,1,0,0,0,1|2,0,0]=4 2216 B12R1.233 CC(=O)Nc1ccc(cc1Br)Cl 1626a_100000752454_100015343762 [0,1,0,0,0,1|2,0,0]=4 2217 B12R1.233 CC(=O)Nc1ccc(cc1Br)F 11a_100000738039_100015343762 [0,1,0,0,0,1|2,0,0]=4 2218 B12R1.233 CC(=O)Nc1ccc(cc1Br)F 1626a_100000738039_100015343762 [0,1,0,0,0,1|2,0,0]=4 2219 B12R1.233 CC(=O)Nc1ccc(cc1Br)I 11a_100000750455_100015343762 [0,1,0,0,0,1|2,0,0]=4 2220 B12R1.233 CC(=O)Nc1ccc(cc1Br)I 1626a_100000750455_100015343762 [0,1,0,0,0,1|2,0,0]=4 2221 B12R1.233 CC(=O)Nc1ccc(cc1Br)O 22a_100012001276_100000070787 [0,1,0,0,0,1|2,0,0]=4 2222 B12R1.233 CC(=O)Nc1ccc(cc1Br)O 527a_100012001276_100103153847 [0,1,0,0,0,1|2,0,0]=4 2223 B12R1.233 CC(=O)Nc1ccc(cc1C)Br 11a_100000211769_100015343762 [0,1,0,0,0,1|2,0,0]=4 2224 B12R1.233 CC(=O)Nc1ccc(cc1C)Br 1626a_100000211769_100015343762 [0,1,0,0,0,1|2,0,0]=4 2225 B12R1.233 CC(=O)Nc1ccc(cc1C)Br 22a_100000211769_100000070787 [0,1,0,0,0,1|2,0,0]=4 2226 B12R1.233 CC(=O)Nc1ccc(cc1C)C 11a_100000736561_100015343762 [0,1,0,0,0,1|2,0,0]=4 2227 B12R1.233 CC(=O)Nc1ccc(cc1C)C 1626a_100000736561_100015343762 [0,1,0,0,0,1|2,0,0]=4 2228 B12R1.233 CC(=O)Nc1ccc(cc1C)C 22a_100000736561_100000070787 [0,1,0,0,0,1|2,0,0]=4 2229 B12R1.233 CC(=O)Nc1ccc(cc1C)C 527a_100000736561_100103153847 [0,1,0,0,0,1|2,0,0]=4 2230 B12R1.233 CC(=O)Nc1ccc(cc1C)Cl 11a_100000210418_100015343762 [0,1,0,0,0,1|2,0,0]=4 2231 B12R1.233 CC(=O)Nc1ccc(cc1C)Cl 1626a_100000210418_100015343762 [0,1,0,0,0,1|2,0,0]=4 2232 B12R1.233 CC(=O)Nc1ccc(cc1C)Cl 22a_100000210418_100000070787 [0,1,0,0,0,1|2,0,0]=4 2233 B12R1.233 CC(=O)Nc1ccc(cc1C)F 11a_100000211637_100015343762 [0,1,0,0,0,1|2,0,0]=4 2234 B12R1.233 CC(=O)Nc1ccc(cc1C)F 1626a_100000211637_100015343762 [0,1,0,0,0,1|2,0,0]=4 2235 B12R1.233 CC(=O)Nc1ccc(cc1C)F 22a_100000211637_100000070787 [0,1,0,0,0,1|2,0,0]=4 2236 B12R1.233 CC(=O)Nc1ccc(cc1C)F 527a_100000211637_100103153847 [0,1,0,0,0,1|2,0,0]=4 2237 B12R1.233 CC(=O)Nc1ccc(cc1C)I 11a_100000184554_100015343762 [0,1,0,0,0,1|2,0,0]=4 2238 B12R1.233 CC(=O)Nc1ccc(cc1C)I 1626a_100000184554_100015343762 [0,1,0,0,0,1|2,0,0]=4 2239 B12R1.233 CC(=O)Nc1ccc(cc1C)I 22a_100000184554_100000070787 [0,1,0,0,0,1|2,0,0]=4 2240 B12R1.233 CC(=O)Nc1ccc(cc1C)O 22a_100000756630_100000070787 [0,1,0,0,0,1|2,0,0]=4 2241 B12R1.233 CC(=O)Nc1ccc(cc1C)O 271570a_203496583355_100000152120 [0,1,0,0,0,1|2,0,0]=4 2242 B12R1.233 CC(=O)Nc1ccc(cc1C)O 527a_100000756630_100103153847 [0,1,0,0,0,1|2,0,0]=4 2243 B12R1.233 CC(=O)Nc1ccc(cc1Cl)Br 11a_100000211467_100015343762 [0,1,0,0,0,1|2,0,0]=4 2244 B12R1.233 CC(=O)Nc1ccc(cc1Cl)Br 1626a_100000211467_100015343762 [0,1,0,0,0,1|2,0,0]=4 2245 B12R1.233 CC(=O)Nc1ccc(cc1Cl)C 11a_100000210522_100015343762 [0,1,0,0,0,1|2,0,0]=4 2246 B12R1.233 CC(=O)Nc1ccc(cc1Cl)C 1626a_100000210522_100015343762 [0,1,0,0,0,1|2,0,0]=4 2247 B12R1.233 CC(=O)Nc1ccc(cc1Cl)C 22a_100000210522_100000070787 [0,1,0,0,0,1|2,0,0]=4 2248 B12R1.233 CC(=O)Nc1ccc(cc1Cl)Cl 11a_100000185861_100015343762 [0,1,0,0,0,1|2,0,0]=4 2249 B12R1.233 CC(=O)Nc1ccc(cc1Cl)Cl 1626a_100000185861_100015343762 [0,1,0,0,0,1|2,0,0]=4 2250 B12R1.233 CC(=O)Nc1ccc(cc1Cl)Cl 22a_100000185861_100000070787 [0,1,0,0,0,1|2,0,0]=4 2251 B12R1.233 CC(=O)Nc1ccc(cc1Cl)F 11a_100000212003_100015343762 [0,1,0,0,0,1|2,0,0]=4 2252 B12R1.233 CC(=O)Nc1ccc(cc1Cl)F 1626a_100000212003_100015343762 [0,1,0,0,0,1|2,0,0]=4 2253 B12R1.233 CC(=O)Nc1ccc(cc1Cl)F 22a_100000212003_100000070787 [0,1,0,0,0,1|2,0,0]=4 2254 B12R1.233 CC(=O)Nc1ccc(cc1Cl)I 11a_100011218065_100015343762 [0,1,0,0,0,1|2,0,0]=4 2255 B12R1.233 CC(=O)Nc1ccc(cc1Cl)I 1626a_100011218065_100015343762 [0,1,0,0,0,1|2,0,0]=4 2256 B12R1.233 CC(=O)Nc1ccc(cc1Cl)I 22a_100011218065_100000070787 [0,1,0,0,0,1|2,0,0]=4 2257 B12R1.233 CC(=O)Nc1ccc(cc1Cl)O 22a_100011215599_100000070787 [0,1,0,0,0,1|2,0,0]=4 2258 B12R1.233 CC(=O)Nc1ccc(cc1Cl)O 271570a_203496583355_100011273303 [0,1,0,0,0,1|2,0,0]=4 2259 B12R1.233 CC(=O)Nc1ccc(cc1Cl)O 527a_100011215599_100103153847 [0,1,0,0,0,1|2,0,0]=4 2260 B12R1.233 CC(=O)Nc1ccc(cc1F)Br 11a_100000210722_100015343762 [0,1,0,0,0,1|2,0,0]=4 2261 B12R1.233 CC(=O)Nc1ccc(cc1F)Br 1626a_100000210722_100015343762 [0,1,0,0,0,1|2,0,0]=4 2262 B12R1.233 CC(=O)Nc1ccc(cc1F)Br 22a_100000210722_100000070787 [0,1,0,0,0,1|2,0,0]=4 2263 B12R1.233 CC(=O)Nc1ccc(cc1F)C 11a_100000211023_100015343762 [0,1,0,0,0,1|2,0,0]=4 2264 B12R1.233 CC(=O)Nc1ccc(cc1F)C 1626a_100000211023_100015343762 [0,1,0,0,0,1|2,0,0]=4 2265 B12R1.233 CC(=O)Nc1ccc(cc1F)C 22a_100000211023_100000070787 [0,1,0,0,0,1|2,0,0]=4 2266 B12R1.233 CC(=O)Nc1ccc(cc1F)C 527a_100000211023_100103153847 [0,1,0,0,0,1|2,0,0]=4 2267 B12R1.233 CC(=O)Nc1ccc(cc1F)Cl 11a_100000211020_100015343762 [0,1,0,0,0,1|2,0,0]=4 2268 B12R1.233 CC(=O)Nc1ccc(cc1F)Cl 1626a_100000211020_100015343762 [0,1,0,0,0,1|2,0,0]=4 2269 B12R1.233 CC(=O)Nc1ccc(cc1F)Cl 22a_100000211020_100000070787 [0,1,0,0,0,1|2,0,0]=4 2270 B12R1.233 CC(=O)Nc1ccc(cc1F)F 11a_100000210720_100015343762 [0,1,0,0,0,1|2,0,0]=4 2271 B12R1.233 CC(=O)Nc1ccc(cc1F)F 1626a_100000210720_100015343762 [0,1,0,0,0,1|2,0,0]=4 2272 B12R1.233 CC(=O)Nc1ccc(cc1F)F 22a_100000210720_100000070787 [0,1,0,0,0,1|2,0,0]=4 2273 B12R1.233 CC(=O)Nc1ccc(cc1F)I 11a_100011215594_100015343762 [0,1,0,0,0,1|2,0,0]=4 2274 B12R1.233 CC(=O)Nc1ccc(cc1F)I 1626a_100011215594_100015343762 [0,1,0,0,0,1|2,0,0]=4 2275 B12R1.233 CC(=O)Nc1ccc(cc1F)I 22a_100011215594_100000070787 [0,1,0,0,0,1|2,0,0]=4 2276 B12R1.233 CC(=O)Nc1ccc(cc1F)O 22a_100000759473_100000070787 [0,1,0,0,0,1|2,0,0]=4 2277 B12R1.233 CC(=O)Nc1ccc(cc1F)O 271570a_203496583355_100000155584 [0,1,0,0,0,1|2,0,0]=4 2278 B12R1.233 CC(=O)Nc1ccc(cc1F)O 527a_100000759473_100103153847 [0,1,0,0,0,1|2,0,0]=4 2279 B12R1.233 CC(=O)Nc1ccc(cc1I)Br 11a_100000187925_100015343762 [0,1,0,0,0,1|2,0,0]=4 2280 B12R1.233 CC(=O)Nc1ccc(cc1I)Br 1626a_100000187925_100015343762 [0,1,0,0,0,1|2,0,0]=4 2281 B12R1.233 CC(=O)Nc1ccc(cc1I)C 11a_100011356834_100015343762 [0,1,0,0,0,1|2,0,0]=4 2282 B12R1.233 CC(=O)Nc1ccc(cc1I)C 1626a_100011356834_100015343762 [0,1,0,0,0,1|2,0,0]=4 2283 B12R1.233 CC(=O)Nc1ccc(cc1I)Cl 11a_100000761889_100015343762 [0,1,0,0,0,1|2,0,0]=4 2284 B12R1.233 CC(=O)Nc1ccc(cc1I)Cl 1626a_100000761889_100015343762 [0,1,0,0,0,1|2,0,0]=4 2285 B12R1.233 CC(=O)Nc1ccc(cc1I)F 11a_100000760547_100015343762 [0,1,0,0,0,1|2,0,0]=4 2286 B12R1.233 CC(=O)Nc1ccc(cc1I)F 1626a_100000760547_100015343762 [0,1,0,0,0,1|2,0,0]=4 2287 B12R1.233 CC(=O)Nc1ccc(cc1I)F 22a_100000760547_100000070787 [0,1,0,0,0,1|2,0,0]=4 2288 B12R1.233 CC(=O)Nc1ccc(cc1I)I 11a_100010002754_100015343762 [0,1,0,0,0,1|2,0,0]=4 2289 B12R1.233 CC(=O)Nc1ccc(cc1I)I 1626a_100010002754_100015343762 [0,1,0,0,0,1|2,0,0]=4 2290 B12R1.233 CC(=O)Nc1ccc(cc1I)O 22a_100010084370_100000070787 [0,1,0,0,0,1|2,0,0]=4 2291 B12R1.233 CC(=O)Nc1ccc(cc1I)O 527a_100010084370_100103153847 [0,1,0,0,0,1|2,0,0]=4 2292 B12R1.233 CC(=O)Nc1ccc(cc1N)O 271570a_203496583355_100000749274 [0,1,0,0,0,1|2,0,0]=4 2293 B12R1.233 CC(=O)Nc1ccc(cc1O)Br 22a_100000739049_100000070787 [0,1,0,0,0,1|1,0,0]=3 2294 B12R1.233 CC(=O)Nc1ccc(cc1O)Br 271570a_203496583355_100009813020 [0,1,0,0,0,1|1,0,0]=3 2295 B12R1.233 CC(=O)Nc1ccc(cc1O)Br 527a_100000739049_100103153847 [0,1,0,0,0,1|1,0,0]=3 2296 B12R1.233 CC(=O)Nc1ccc(cc1O)C 22a_100000211527_100000070787 [0,1,0,0,0,1|1,0,0]=3 2297 B12R1.233 CC(=O)Nc1ccc(cc1O)C 271570a_203496583355_100000152032 [0,1,0,0,0,1|1,0,0]=3 2298 B12R1.233 CC(=O)Nc1ccc(cc1O)C 527a_100000211527_100103153847 [0,1,0,0,0,1|1,0,0]=3 2299 B12R1.233 CC(=O)Nc1ccc(cc1O)Cl 22a_100000185728_100000070787 [0,1,0,0,0,1|1,0,0]=3 2300 B12R1.233 CC(=O)Nc1ccc(cc1O)Cl 527a_100000185728_100103153847 [0,1,0,0,0,1|1,0,0]=3 2301 B12R1.233 CC(=O)Nc1ccc(cc1O)F 22a_100000753323_100000070787 [0,1,0,0,0,1|1,0,0]=3 2302 B12R1.233 CC(=O)Nc1ccc(cc1O)F 271570a_203496583355_100011215554 [0,1,0,0,0,1|1,0,0]=3 2303 B12R1.233 CC(=O)Nc1ccc(cc1O)F 527a_100000753323_100103153847 [0,1,0,0,0,1|1,0,0]=3 2304 B12R1.233 CC(=O)Nc1ccc(cc1O)I 22a_100000057187_100000070787 [0,1,0,0,0,1|1,0,0]=3 2305 B12R1.233 CC(=O)Nc1ccc(cc1O)I 527a_100000057187_100103153847 [0,1,0,0,0,1|1,0,0]=3 2306 B12R1.233 CC(=O)Nc1ccc(cc1O)O 22a_100000106777_100000070787 [0,1,0,0,0,1|1,0,0]=3 2307 B12R1.233 CC(=O)Nc1ccc(cc1O)O 527a_100000106777_100103153847 [0,1,0,0,0,1|1,0,0]=3 2308 B12R1.233 CC(=O)Nc1ncc(cc1O)C 271570a_203496583355_200009816786 [0,1,0,0,0,1|2,0,0]=4 2309 B12R1.233 CC(=O)Oc1ccc(cc1F)O 271570a_203496583355_100009811628 [0,1,0,0,0,1|2,0,0]=4 2310 B12R1.233 Cc1cc(ccc1CC(=O)[13CH3])Br 1458a_100000697930_200025704644 [0,1,0,0,0,1|2,0,0]=4 2311 B12R1.233 Cc1cc(ccc1CC(=O)[13CH3])F 1458a_100011667441_200025704644 [0,1,0,0,0,1|2,0,0]=4 2312 B12R1.233 Cc1ccc(c(c1)C)CC(=O)[13CH3] 1458a_100011236500_200025704644 [0,1,0,0,0,1|2,0,0]=4 2313 B12R1.233 Cc1ccc(c(c1)F)CC(=O)[13CH3] 1458a_100000042674_200025704644 [0,1,0,0,0,1|2,0,0]=4 2314 B12R1.233 [13CH3]C(=O)Cc1ccc(cc1Br)Br 1458a_100010172832_200025704644 [0,1,0,0,0,1|2,0,0]=4 2315 B12R1.233 [13CH3]C(=O)Cc1ccc(cc1Br)Cl 1458a_100000755479_200025704644 [0,1,0,0,0,1|2,0,0]=4 2316 B12R1.233 [13CH3]C(=O)Cc1ccc(cc1Br)F 1458a_100000708238_200025704644 [0,1,0,0,0,1|2,0,0]=4 2317 B12R1.233 [13CH3]C(=O)Cc1ccc(cc1Br)O 1458a_100010176083_200025704644 [0,1,0,0,0,1|2,0,0]=4 2318 B12R1.233 [13CH3]C(=O)Cc1ccc(cc1Cl)Br 1458a_100012361378_200025704644 [0,1,0,0,0,1|2,0,0]=4 2319 B12R1.233 [13CH3]C(=O)Cc1ccc(cc1Cl)Cl 1458a_100000210926_200025704644 [0,1,0,0,0,1|2,0,0]=4 2320 B12R1.233 [13CH3]C(=O)Cc1ccc(cc1Cl)F 1458a_100000690284_200025704644 [0,1,0,0,0,1|2,0,0]=4 2321 B12R1.233 [13CH3]C(=O)Cc1ccc(cc1F)Br 1458a_100011295475_200025704644 [0,1,0,0,0,1|2,0,0]=4 2322 B12R1.233 [13CH3]C(=O)Cc1ccc(cc1F)Cl 1458a_100011830378_200025704644 [0,1,0,0,0,1|2,0,0]=4 2323 B12R1.233 [13CH3]C(=O)Cc1ccc(cc1F)F 1458a_100000684719_200025704644 [0,1,0,0,0,1|2,0,0]=4 2324 B12R1.233 [13CH3]C(=O)Cc1ccc(cc1F)I 1458a_100010149628_200025704644 [0,1,0,0,0,1|2,0,0]=4 2325 B12R1.233 [13CH3]C(=O)Cc1ccc(cc1F)O 1458a_100000090534_200025704644 [0,1,0,0,0,1|2,0,0]=4 2326 B12R1.233 [13CH3]C(=O)Cc1ccc(cc1O)Br 1458a_100000707504_200025704644 [0,1,0,0,0,1|1,0,0]=3 2327 B12R1.371 C#CC(=O)Cc1ccccc1Br 1458a_100000211873_100000184730 [0,1,0,0,0,1|2,0,0]=4 2328 B12R1.371 C#CC(=O)Cc1ccccc1C 1458a_100000211873_100000211839 [0,1,0,0,0,1|2,0,0]=4 2329 B12R1.371 C#CC(=O)Cc1ccccc1Cl 1458a_100000211873_100000187162 [0,1,0,0,0,1|2,0,0]=4 2330 B12R1.371 C#CC(=O)Cc1ccccc1F 1458a_100000211873_100000187165 [0,1,0,0,0,1|2,0,0]=4 2331 B12R1.371 C#CC(=O)Cc1ccccc1I 1458a_100000211873_100011216222 [0,1,0,0,0,1|2,0,0]=4 2332 B12R1.371 C#CC(=O)Cc1ncccc1O 1458a_100000211873_200020655725 [0,1,0,0,0,1|2,0,0]=4 2333 B12R1.371 C=CC(=O)Cc1ccccc1Br 1458a_100000185746_100000184730 [0,1,0,0,0,1|2,0,0]=4 2334 B12R1.371 C=CC(=O)Cc1ccccc1C 1458a_100000185746_100000211839 [0,1,0,0,0,1|2,0,0]=4 2335 B12R1.371 C=CC(=O)Cc1ccccc1Cl 1458a_100000185746_100000187162 [0,1,0,0,0,1|2,0,0]=4 2336 B12R1.371 C=CC(=O)Cc1ccccc1F 1458a_100000185746_100000187165 [0,1,0,0,0,1|2,0,0]=4 2337 B12R1.371 C=CC(=O)Cc1ccccc1I 1458a_100000185746_100011216222 [0,1,0,0,0,1|2,0,0]=4 2338 B12R1.371 C=CC(=O)Cc1ncccc1O 1458a_100000185746_200020655725 [0,1,0,0,0,1|2,0,0]=4 2339 B12R1.371 C=CC(=O)Nc1ccccc1Br 1626a_100000210017_100000185746 [0,1,0,0,0,1|2,0,0]=4 2340 B12R1.371 C=CC(=O)Nc1ccccc1C 1626a_100015192222_100000185746 [0,1,0,0,0,1|2,0,0]=4 2341 B12R1.371 C=CC(=O)Nc1ccccc1C 22a_100015192222_100000185746 [0,1,0,0,0,1|2,0,0]=4 2342 B12R1.371 C=CC(=O)Nc1ccccc1Cl 1626a_100000185783_100000185746 [0,1,0,0,0,1|2,0,0]=4 2343 B12R1.371 C=CC(=O)Nc1ccccc1Cl 22a_100000185783_100000185746 [0,1,0,0,0,1|2,0,0]=4 2344 B12R1.371 C=CC(=O)Nc1ccccc1F 1626a_100000210422_100000185746 [0,1,0,0,0,1|2,0,0]=4 2345 B12R1.371 C=CC(=O)Nc1ccccc1F 22a_100000210422_100000185746 [0,1,0,0,0,1|2,0,0]=4 2346 B12R1.371 C=CC(=O)Nc1ccccc1I 1626a_100000210053_100000185746 [0,1,0,0,0,1|2,0,0]=4 2347 B12R1.371 C=CC(=O)Nc1ccccc1O 22a_100000185747_100000185746 [0,1,0,0,0,1|1,0,0]=3 2348 B12R1.371 CC(CO)Nc1ccccc1O 34a_100000185747_100012180447 [0,1,0,0,0,1|1,0,1]=4 2349 B12R1.371 CC(CO)Sc1ccccc1O 62a_100012180447_100000739446 [0,1,0,0,0,1|1,0,1]=4 2350 B12R1.371 CCC(=O)Cc1ccccc1Br 1458a_100000210414_100000184730 [0,1,0,0,0,1|2,0,0]=4 2351 B12R1.371 CCC(=O)Cc1ccccc1Br 1458a_100000751119_100000210202 [0,1,0,0,0,1|2,0,0]=4 2352 B12R1.371 CCC(=O)Cc1ccccc1C 1458a_100000210414_100000211839 [0,1,0,0,0,1|2,0,0]=4 2353 B12R1.371 CCC(=O)Cc1ccccc1C 1458a_100000212180_100000210202 [0,1,0,0,0,1|2,0,0]=4 2354 B12R1.371 CCC(=O)Cc1ccccc1Cl 1458a_100000183793_100000210202 [0,1,0,0,0,1|2,0,0]=4 2355 B12R1.371 CCC(=O)Cc1ccccc1Cl 1458a_100000210414_100000187162 [0,1,0,0,0,1|2,0,0]=4 2356 B12R1.371 CCC(=O)Cc1ccccc1F 1458a_100000210414_100000187165 [0,1,0,0,0,1|2,0,0]=4 2357 B12R1.371 CCC(=O)Cc1ccccc1F 1458a_100000212012_100000210202 [0,1,0,0,0,1|2,0,0]=4 2358 B12R1.371 CCC(=O)Cc1ccccc1I 1458a_100000036491_100000210202 [0,1,0,0,0,1|2,0,0]=4 2359 B12R1.371 CCC(=O)Cc1ccccc1I 1458a_100000210414_100011216222 [0,1,0,0,0,1|2,0,0]=4 2360 B12R1.371 CCC(=O)Cc1ccccc1O 1458a_100000743006_100000210202 [0,1,0,0,0,1|1,0,0]=3 2361 B12R1.371 CCC(=O)Cc1ncccc1O 1458a_100000210414_200020655725 [0,1,0,0,0,1|2,0,0]=4 2362 B12R1.371 CCC(=O)Nc1ccccc1Br 11a_100000210017_100000210414 [0,1,0,0,0,1|2,0,0]=4 2363 B12R1.371 CCC(=O)Nc1ccccc1Br 1626a_100000210017_100000210414 [0,1,0,0,0,1|2,0,0]=4 2364 B12R1.371 CCC(=O)Nc1ccccc1C 11a_100015192222_100000210414 [0,1,0,0,0,1|2,0,0]=4 2365 B12R1.371 CCC(=O)Nc1ccccc1C 1626a_100015192222_100000210414 [0,1,0,0,0,1|2,0,0]=4 2366 B12R1.371 CCC(=O)Nc1ccccc1C 22a_100015192222_100000210414 [0,1,0,0,0,1|2,0,0]=4 2367 B12R1.371 CCC(=O)Nc1ccccc1C 527a_100015192222_100000210414 [0,1,0,0,0,1|2,0,0]=4 2368 B12R1.371 CCC(=O)Nc1ccccc1Cl 11a_100000185783_100000210414 [0,1,0,0,0,1|2,0,0]=4 2369 B12R1.371 CCC(=O)Nc1ccccc1Cl 1626a_100000185783_100000210414 [0,1,0,0,0,1|2,0,0]=4 2370 B12R1.371 CCC(=O)Nc1ccccc1Cl 22a_100000185783_100000210414 [0,1,0,0,0,1|2,0,0]=4 2371 B12R1.371 CCC(=O)Nc1ccccc1Cl 527a_100000185783_100000210414 [0,1,0,0,0,1|2,0,0]=4 2372 B12R1.371 CCC(=O)Nc1ccccc1F 11a_100000210422_100000210414 [0,1,0,0,0,1|2,0,0]=4 2373 B12R1.371 CCC(=O)Nc1ccccc1F 1626a_100000210422_100000210414 [0,1,0,0,0,1|2,0,0]=4 2374 B12R1.371 CCC(=O)Nc1ccccc1F 22a_100000210422_100000210414 [0,1,0,0,0,1|2,0,0]=4 2375 B12R1.371 CCC(=O)Nc1ccccc1F 527a_100000210422_100000210414 [0,1,0,0,0,1|2,0,0]=4 2376 B12R1.371 CCC(=O)Nc1ccccc1I 11a_100000210053_100000210414 [0,1,0,0,0,1|2,0,0]=4 2377 B12R1.371 CCC(=O)Nc1ccccc1I 1626a_100000210053_100000210414 [0,1,0,0,0,1|2,0,0]=4 2378 B12R1.371 CCC(=O)Nc1ccccc1O 22a_100000185747_100000210414 [0,1,0,0,0,1|1,0,0]=3 2379 B12R1.371 CCC(=O)Nc1ccccc1O 271570a_203496583355_100000153536 [0,1,0,0,0,1|1,0,0]=3 2380 B12R1.371 CCC(=O)Nc1ccccc1O 527a_100000185747_100000210414 [0,1,0,0,0,1|1,0,0]=3 2381 B12R1.371 CNC(=O)Cc1ccccc1Br 11a_106832991635_100000751119 [0,1,0,0,0,1|2,0,0]=4 2382 B12R1.371 CNC(=O)Cc1ccccc1Br 240690a_100102657272_100000751119 [0,1,0,0,0,1|2,0,0]=4 2383 B12R1.371 CNC(=O)Cc1ccccc1Br 527a_100102657272_100000751119 [0,1,0,0,0,1|2,0,0]=4 2384 B12R1.371 CNC(=O)Cc1ccccc1C 11a_106832991635_100000212180 [0,1,0,0,0,1|2,0,0]=4 2385 B12R1.371 CNC(=O)Cc1ccccc1C 1626a_100102657272_100000212180 [0,1,0,0,0,1|2,0,0]=4 2386 B12R1.371 CNC(=O)Cc1ccccc1C 240690a_100102657272_100000212180 [0,1,0,0,0,1|2,0,0]=4 2387 B12R1.371 CNC(=O)Cc1ccccc1C 527a_100102657272_100000212180 [0,1,0,0,0,1|2,0,0]=4 2388 B12R1.371 CNC(=O)Cc1ccccc1Cl 11a_106832991635_100000183793 [0,1,0,0,0,1|2,0,0]=4 2389 B12R1.371 CNC(=O)Cc1ccccc1Cl 1626a_100102657272_100000183793 [0,1,0,0,0,1|2,0,0]=4 2390 B12R1.371 CNC(=O)Cc1ccccc1Cl 240690a_100102657272_100000183793 [0,1,0,0,0,1|2,0,0]=4 2391 B12R1.371 CNC(=O)Cc1ccccc1Cl 527a_100102657272_100000183793 [0,1,0,0,0,1|2,0,0]=4 2392 B12R1.371 CNC(=O)Cc1ccccc1F 11a_106832991635_100000212012 [0,1,0,0,0,1|2,0,0]=4 2393 B12R1.371 CNC(=O)Cc1ccccc1F 1626a_100102657272_100000212012 [0,1,0,0,0,1|2,0,0]=4 2394 B12R1.371 CNC(=O)Cc1ccccc1F 240690a_100102657272_100000212012 [0,1,0,0,0,1|2,0,0]=4 2395 B12R1.371 CNC(=O)Cc1ccccc1F 527a_100102657272_100000212012 [0,1,0,0,0,1|2,0,0]=4 2396 B12R1.371 CNC(=O)Cc1ccccc1I 11a_106832991635_100000036491 [0,1,0,0,0,1|2,0,0]=4 2397 B12R1.371 CNC(=O)Cc1ccccc1I 1626a_100102657272_100000036491 [0,1,0,0,0,1|2,0,0]=4 2398 B12R1.371 CNC(=O)Cc1ccccc1I 240690a_100102657272_100000036491 [0,1,0,0,0,1|2,0,0]=4 2399 B12R1.371 CNC(=O)Cc1ccccc1I 527a_100102657272_100000036491 [0,1,0,0,0,1|2,0,0]=4 2400 B12R1.371 CNC(=O)Cc1ccccc1O 240690a_100102657272_100000743006 [0,1,0,0,0,1|1,0,0]=3 2401 B12R1.371 CNC(=O)Cc1ccccc1O 271570a_203496583355_200009816160 [0,1,0,0,0,1|1,0,0]=3 2402 B12R1.371 CNC(=O)Cc1ccccc1O 527a_100102657272_100000743006 [0,1,0,0,0,1|1,0,0]=3 2403 B12R1.371 CNC(=O)Nc1ccccc1Br 2430a_100000210017_100102657272 [0,1,0,0,0,1|2,0,0]=4 2404 B12R1.371 CNC(=O)Nc1ccccc1C 2430a_100015192222_100102657272 [0,1,0,0,0,1|2,0,0]=4 2405 B12R1.371 CNC(=O)Nc1ccccc1Cl 2430a_100000185783_100102657272 [0,1,0,0,0,1|2,0,0]=4 2406 B12R1.371 CNC(=O)Nc1ccccc1F 2430a_100000210422_100102657272 [0,1,0,0,0,1|2,0,0]=4 2407 B12R1.371 CNC(=O)Nc1ccccc1I 2430a_100000210053_100102657272 [0,1,0,0,0,1|2,0,0]=4 2408 B12R1.371 CNC(=O)Nc1ccccc1O 2430a_100000185747_100102657272 [0,1,0,0,0,1|1,0,0]=3 2409 B12R1.371 COC(=O)Cc1ccccc1O 271570a_203496583355_100000699816 [0,1,0,0,0,1|0,0,0]=2 2410 B12R1.371 COC(=O)Cc1cccnc1O 271570a_203496583355_100010293180 [0,1,0,0,0,1|1,0,0]=3 2411 B12R1.371 COC(=O)Cc1ncccc1O 271570a_203496583355_100012347948 [0,1,0,0,0,1|1,0,0]=3 2412 B12R1.371 COC(=O)Nc1ccccc1O 271570a_203496583355_100000216184 [0,1,0,0,0,1|0,0,0]=2 2413 B12R1.371 COC(C)Sc1ccccc1O 62a_100000739446_100009879195 [0,1,0,0,0,1|1,0,1]=4 2414 B12R1.371 COC(C)Sc1ccccc1O 62a_100009879195_100000739446 [0,1,0,0,0,1|1,0,1]=4 2415 B12R1.371 C[C@H](CO)Sc1ccccc1O 62a_100000739446_100016084084 [0,1,0,0,0,1|1,0,1]=4 2416 B12R1.371 C[C@H](CO)Sc1ccccc1O 62a_100016084084_100000739446 [0,1,0,0,0,1|1,0,1]=4 2417 B12R1.371 Cc1ccccc1CC(=O)CF 1458a_100000212180_100015361967 [0,1,0,0,0,1|2,0,0]=4 2418 B12R1.371 Cc1ccccc1CC(=O)CO 1458a_100000210174_100000211839 [0,1,0,0,0,1|1,0,0]=3 2419 B12R1.371 Cc1ccccc1NC(=O)CO 22a_100015192222_100000210174 [0,1,0,0,0,1|1,0,0]=3 2420 B12R1.371 Cc1ccccc1NC(=O)CO 527a_100015192222_100000210174 [0,1,0,0,0,1|1,0,0]=3 2421 B12R1.371 Cc1cccnc1CC(=O)CO 1458a_100000210174_100000696600 [0,1,0,0,0,1|2,0,0]=4 2422 B12R1.371 Cc1ccncc1CC(=O)CO 1458a_100000210174_100000690890 [0,1,0,0,0,1|2,0,0]=4 2423 B12R1.371 Cc1cnccc1CC(=O)CO 1458a_100000210174_100020672808 [0,1,0,0,0,1|2,0,0]=4 2424 B12R1.371 Cc1ncccc1CC(=O)CO 1458a_100000210174_100000732876 [0,1,0,0,0,1|2,0,0]=4 2425 B12R1.371 NNC(=O)Cc1ccccc1O 271570a_203496583355_200010210069 [0,1,0,0,0,1|1,0,0]=3 2426 B12R1.371 O=C(CF)Cc1ccccc1Br 1458a_100000751119_100015361967 [0,1,0,0,0,1|2,0,0]=4 2427 B12R1.371 O=C(CF)Cc1ccccc1Cl 1458a_100000183793_100015361967 [0,1,0,0,0,1|2,0,0]=4 2428 B12R1.371 O=C(CF)Cc1ccccc1F 1458a_100000212012_100015361967 [0,1,0,0,0,1|2,0,0]=4 2429 B12R1.371 O=C(CF)Cc1ccccc1I 1458a_100000036491_100015361967 [0,1,0,0,0,1|2,0,0]=4 2430 B12R1.371 O=C(CF)Cc1ccccc1O 1458a_100000743006_100015361967 [0,1,0,0,0,1|1,0,0]=3 2431 B12R1.371 O=C(CO)Cc1ccccc1Br 1458a_100000210174_100000184730 [0,1,0,0,0,1|1,0,0]=3 2432 B12R1.371 O=C(CO)Cc1ccccc1Cl 1458a_100000210174_100000187162 [0,1,0,0,0,1|1,0,0]=3 2433 B12R1.371 O=C(CO)Cc1ccccc1F 1458a_100000210174_100000187165 [0,1,0,0,0,1|1,0,0]=3 2434 B12R1.371 O=C(CO)Cc1ccccc1I 1458a_100000210174_100011216222 [0,1,0,0,0,1|1,0,0]=3 2435 B12R1.371 O=C(CO)Cc1cccnc1Br 1458a_100000210174_100010140945 [0,1,0,0,0,1|2,0,0]=4 2436 B12R1.371 O=C(CO)Cc1cccnc1Cl 1458a_100000210174_100000045678 [0,1,0,0,0,1|2,0,0]=4 2437 B12R1.371 O=C(CO)Cc1cccnc1F 1458a_100000210174_100000099810 [0,1,0,0,0,1|2,0,0]=4 2438 B12R1.371 O=C(CO)Cc1ccncc1Cl 1458a_100000210174_100000763264 [0,1,0,0,0,1|2,0,0]=4 2439 B12R1.371 O=C(CO)Cc1ncccc1Br 1458a_100000210174_100025702911 [0,1,0,0,0,1|2,0,0]=4 2440 B12R1.371 O=C(CO)Cc1ncccc1Cl 1458a_100000210174_100000099807 [0,1,0,0,0,1|2,0,0]=4 2441 B12R1.371 O=C(CO)Cc1ncccc1F 1458a_100000210174_100000104219 [0,1,0,0,0,1|2,0,0]=4 2442 B12R1.371 O=C(CO)Cc1ncccc1O 1458a_100000210174_200020655725 [0,1,0,0,0,1|1,0,0]=3 2443 B12R1.371 O=C(CO)Nc1ccccc1Cl 22a_100000185783_100000210174 [0,1,0,0,0,1|1,0,0]=3 2444 B12R1.371 O=C(CO)Nc1ccccc1Cl 527a_100000185783_100000210174 [0,1,0,0,0,1|1,0,0]=3 2445 B12R1.371 O=C(CO)Nc1ccccc1F 22a_100000210422_100000210174 [0,1,0,0,0,1|1,0,0]=3 2446 B12R1.371 O=C(CO)Nc1ccccc1F 527a_100000210422_100000210174 [0,1,0,0,0,1|1,0,0]=3 2447 B12R1.371 O=C(CO)Nc1ccccc1O 22a_100000185747_100000210174 [0,1,0,0,0,1|0,0,0]=2 2448 B12R1.371 O=C(CO)Nc1ccccc1O 527a_100000185747_100000210174 [0,1,0,0,0,1|0,0,0]=2 2449 B12R1.1009 CC(=Cc1c(cccc1Br)O)C 271570a_100102525489_100010187912 [0,1,0,0,0,1|2,0,0]=4 2450 B12R1.1009 CC(=Cc1c(cccc1Cl)O)C 271570a_100102525489_100000050174 [0,1,0,0,0,1|2,0,0]=4 2451 B12R1.1009 CC(=Cc1c(cccc1F)O)C 271570a_100102525489_100009820682 [0,1,0,0,0,1|2,0,0]=4 2452 B12R1.1009 CC(=Cc1c(cccc1O)C)C 271570a_100102525489_100000686692 [0,1,0,0,0,1|2,0,0]=4 2453 B12R1.1009 CC(=Cc1c(cccc1O)N)C 271570a_100102525489_100012183704 [0,1,0,0,0,1|2,0,0]=4 2454 B12R1.1009 CC(=Cc1c(cccc1O)O)C 271570a_100102525489_100010205330 [0,1,0,0,0,1|2,0,0]=4 2455 B12R1.1009 CC(=O)Cc1c(cccc1Br)Br 1458a_100010209379_200000210301 [0,1,0,0,0,1|2,0,0]=4 2456 B12R1.1009 CC(=O)Cc1c(cccc1Br)C 1458a_100000070787_100010146847 [0,1,0,0,0,1|2,0,0]=4 2457 B12R1.1009 CC(=O)Cc1c(cccc1Br)C 1458a_100010147022_200000210301 [0,1,0,0,0,1|2,0,0]=4 2458 B12R1.1009 CC(=O)Cc1c(cccc1Br)Cl 1458a_100000070787_100010138402 [0,1,0,0,0,1|2,0,0]=4 2459 B12R1.1009 CC(=O)Cc1c(cccc1Br)Cl 1458a_100013084675_200000210301 [0,1,0,0,0,1|2,0,0]=4 2460 B12R1.1009 CC(=O)Cc1c(cccc1Br)F 1458a_100000070787_100000696636 [0,1,0,0,0,1|2,0,0]=4 2461 B12R1.1009 CC(=O)Cc1c(cccc1Br)F 1458a_100010172741_200000210301 [0,1,0,0,0,1|2,0,0]=4 2462 B12R1.1009 CC(=O)Cc1c(cccc1C)C 1458a_100000070787_100000758300 [0,1,0,0,0,1|2,0,0]=4 2463 B12R1.1009 CC(=O)Cc1c(cccc1C)C 1458a_100000689862_200000210301 [0,1,0,0,0,1|2,0,0]=4 2464 B12R1.1009 CC(=O)Cc1c(cccc1Cl)Cl 1458a_100000070787_100000187851 [0,1,0,0,0,1|2,0,0]=4 2465 B12R1.1009 CC(=O)Cc1c(cccc1Cl)Cl 1458a_100000211232_200000210301 [0,1,0,0,0,1|2,0,0]=4 2466 B12R1.1009 CC(=O)Cc1c(cccc1Cl)F 1458a_100000070787_100000187852 [0,1,0,0,0,1|2,0,0]=4 2467 B12R1.1009 CC(=O)Cc1c(cccc1Cl)F 1458a_100000185183_200000210301 [0,1,0,0,0,1|2,0,0]=4 2468 B12R1.1009 CC(=O)Cc1c(cccc1F)C 1458a_100000070787_100009814554 [0,1,0,0,0,1|2,0,0]=4 2469 B12R1.1009 CC(=O)Cc1c(cccc1F)F 1458a_100000070787_100000698325 [0,1,0,0,0,1|2,0,0]=4 2470 B12R1.1009 CC(=O)Cc1c(cccc1F)F 1458a_100000684726_200000210301 [0,1,0,0,0,1|2,0,0]=4 2471 B12R1.1009 CC(=O)Cc1c(cccc1I)Br 1458a_100000070787_100010146611 [0,1,0,0,0,1|2,0,0]=4 2472 B12R1.1009 CC(=O)Cc1c(cccc1I)C 1458a_100000070787_100010150146 [0,1,0,0,0,1|2,0,0]=4 2473 B12R1.1009 CC(=O)Cc1c(cccc1I)F 1458a_100000070787_100010149602 [0,1,0,0,0,1|2,0,0]=4 2474 B12R1.1009 CC(=O)Nc1c(cccc1Br)Br 1626a_100000690995_100015343762 [0,1,0,0,0,1|2,0,0]=4 2475 B12R1.1009 CC(=O)Nc1c(cccc1Br)C 11a_100011834072_100015343762 [0,1,0,0,0,1|2,0,0]=4 2476 B12R1.1009 CC(=O)Nc1c(cccc1Br)C 1626a_100011834072_100015343762 [0,1,0,0,0,1|2,0,0]=4 2477 B12R1.1009 CC(=O)Nc1c(cccc1Br)Cl 11a_100102946385_100015343762 [0,1,0,0,0,1|2,0,0]=4 2478 B12R1.1009 CC(=O)Nc1c(cccc1Br)Cl 1626a_100102946385_100015343762 [0,1,0,0,0,1|2,0,0]=4 2479 B12R1.1009 CC(=O)Nc1c(cccc1Br)F 11a_100000684712_100015343762 [0,1,0,0,0,1|2,0,0]=4 2480 B12R1.1009 CC(=O)Nc1c(cccc1Br)F 1626a_100000684712_100015343762 [0,1,0,0,0,1|2,0,0]=4 2481 B12R1.1009 CC(=O)Nc1c(cccc1Br)O 527a_100011934926_100103153847 [0,1,0,0,0,1|1,0,0]=3 2482 B12R1.1009 CC(=O)Nc1c(cccc1C)C 11a_100000185769_100015343762 [0,1,0,0,0,1|2,0,0]=4 2483 B12R1.1009 CC(=O)Nc1c(cccc1C)C 1626a_100000185769_100015343762 [0,1,0,0,0,1|2,0,0]=4 2484 B12R1.1009 CC(=O)Nc1c(cccc1C)C 22a_100000185769_100000070787 [0,1,0,0,0,1|2,0,0]=4 2485 B12R1.1009 CC(=O)Nc1c(cccc1Cl)C 11a_100000756524_100015343762 [0,1,0,0,0,1|2,0,0]=4 2486 B12R1.1009 CC(=O)Nc1c(cccc1Cl)C 1626a_100000756524_100015343762 [0,1,0,0,0,1|2,0,0]=4 2487 B12R1.1009 CC(=O)Nc1c(cccc1Cl)Cl 11a_100000210028_100015343762 [0,1,0,0,0,1|2,0,0]=4 2488 B12R1.1009 CC(=O)Nc1c(cccc1Cl)Cl 1626a_100000210028_100015343762 [0,1,0,0,0,1|2,0,0]=4 2489 B12R1.1009 CC(=O)Nc1c(cccc1Cl)F 11a_100000760031_100015343762 [0,1,0,0,0,1|2,0,0]=4 2490 B12R1.1009 CC(=O)Nc1c(cccc1Cl)F 1626a_100000760031_100015343762 [0,1,0,0,0,1|2,0,0]=4 2491 B12R1.1009 CC(=O)Nc1c(cccc1Cl)O 22a_100012022510_100000070787 [0,1,0,0,0,1|1,0,0]=3 2492 B12R1.1009 CC(=O)Nc1c(cccc1Cl)O 527a_100012022510_100103153847 [0,1,0,0,0,1|1,0,0]=3 2493 B12R1.1009 CC(=O)Nc1c(cccc1F)C 11a_100000766463_100015343762 [0,1,0,0,0,1|2,0,0]=4 2494 B12R1.1009 CC(=O)Nc1c(cccc1F)C 1626a_100000766463_100015343762 [0,1,0,0,0,1|2,0,0]=4 2495 B12R1.1009 CC(=O)Nc1c(cccc1F)C 22a_100000766463_100000070787 [0,1,0,0,0,1|2,0,0]=4 2496 B12R1.1009 CC(=O)Nc1c(cccc1F)F 11a_100000210704_100015343762 [0,1,0,0,0,1|2,0,0]=4 2497 B12R1.1009 CC(=O)Nc1c(cccc1F)F 1626a_100000210704_100015343762 [0,1,0,0,0,1|2,0,0]=4 2498 B12R1.1009 CC(=O)Nc1c(cccc1F)O 22a_100020591140_100000070787 [0,1,0,0,0,1|1,0,0]=3 2499 B12R1.1009 CC(=O)Nc1c(cccc1F)O 527a_100020591140_100103153847 [0,1,0,0,0,1|1,0,0]=3 2500 B12R1.1009 CC(=O)Nc1c(cccc1I)Br 11a_100010146558_100015343762 [0,1,0,0,0,1|2,0,0]=4 2501 B12R1.1009 CC(=O)Nc1c(cccc1I)Br 1626a_100010146558_100015343762 [0,1,0,0,0,1|2,0,0]=4 2502 B12R1.1009 CC(=O)Nc1c(cccc1I)Cl 11a_100010190421_100015343762 [0,1,0,0,0,1|2,0,0]=4 2503 B12R1.1009 CC(=O)Nc1c(cccc1I)Cl 1626a_100010190421_100015343762 [0,1,0,0,0,1|2,0,0]=4 2504 B12R1.1009 CC(=O)Nc1c(cccc1I)F 11a_100000042321_100015343762 [0,1,0,0,0,1|2,0,0]=4 2505 B12R1.1009 CC(=O)Nc1c(cccc1I)F 1626a_100000042321_100015343762 [0,1,0,0,0,1|2,0,0]=4 2506 B12R1.1009 CC(=O)Nc1c(cccc1I)O 22a_200000049512_100000070787 [0,1,0,0,0,1|1,0,0]=3 2507 B12R1.1009 CC(=O)Nc1c(cccc1I)O 527a_200000049512_100103153847 [0,1,0,0,0,1|1,0,0]=3 2508 B12R1.1009 CC(=O)Nc1c(cccc1O)C 22a_100000743429_100000070787 [0,1,0,0,0,1|1,0,0]=3 2509 B12R1.1009 CC(=O)Nc1c(cccc1O)C 527a_100000743429_100103153847 [0,1,0,0,0,1|1,0,0]=3 2510 B12R1.1009 CC(=O)Nc1c(cccc1O)O 22a_100011995820_100000070787 [0,1,0,0,0,1|1,0,0]=3 2511 B12R1.1009 CC(=O)Nc1c(cccc1O)O 527a_100011995820_100103153847 [0,1,0,0,0,1|1,0,0]=3 2512 B12R1.1009 Cc1cccc(c1CC(=O)[13CH3])Br 1458a_100010147022_200025704644 [0,1,0,0,0,1|2,0,0]=4 2513 B12R1.1009 Cc1cccc(c1CC(=O)[13CH3])C 1458a_100000689862_200025704644 [0,1,0,0,0,1|2,0,0]=4 2514 B12R1.1009 [13CH3]C(=O)Cc1c(cccc1Br)Br 1458a_100010209379_200025704644 [0,1,0,0,0,1|2,0,0]=4 2515 B12R1.1009 [13CH3]C(=O)Cc1c(cccc1Br)Cl 1458a_100013084675_200025704644 [0,1,0,0,0,1|2,0,0]=4 2516 B12R1.1009 [13CH3]C(=O)Cc1c(cccc1Br)F 1458a_100010172741_200025704644 [0,1,0,0,0,1|2,0,0]=4 2517 B12R1.1009 [13CH3]C(=O)Cc1c(cccc1Cl)Cl 1458a_100000211232_200025704644 [0,1,0,0,0,1|2,0,0]=4 2518 B12R1.1009 [13CH3]C(=O)Cc1c(cccc1Cl)F 1458a_100000185183_200025704644 [0,1,0,0,0,1|2,0,0]=4 2519 B12R1.1009 [13CH3]C(=O)Cc1c(cccc1F)F 1458a_100000684726_200025704644 [0,1,0,0,0,1|2,0,0]=4 2520 B12R1.46 C=C(C)c1cc(ccc1CO)Br 271570a_100000694244_100010146605 [0,2,0,0,0,0|2,0,0]=4 2521 B12R1.46 C=C(C)c1cc(ccc1CO)Cl 271570a_100000694244_100000722340 [0,2,0,0,0,0|2,0,0]=4 2522 B12R1.46 C=C(C)c1cc(ccc1CO)F 271570a_100000694244_100000744086 [0,2,0,0,0,0|2,0,0]=4 2523 B12R1.46 C=C(C)c1cc(ccc1CO)O 271570a_100000694244_100010146404 [0,2,0,0,0,0|2,0,0]=4 2524 B12R1.46 C=C(C)c1cc(ccc1OC)Br 271570a_100000694244_100012351588 [0,2,0,0,0,0|2,0,0]=4 2525 B12R1.46 C=C(C)c1cc(ccc1OC)C 271570a_100000694244_100000186399 [0,2,0,0,0,0|2,0,0]=4 2526 B12R1.46 C=C(C)c1cc(ccc1OC)Cl 271570a_100000694244_100011215930 [0,2,0,0,0,0|2,0,0]=4 2527 B12R1.46 C=C(C)c1cc(ccc1OC)F 271570a_100000694244_100000171694 [0,2,0,0,0,0|2,0,0]=4 2528 B12R1.46 C=C(C)c1cc(ccc1OC)N 271570a_100000694244_100000187427 [0,2,0,0,0,0|2,0,0]=4 2529 B12R1.46 C=C(C)c1cc(ccc1OC)O 271570a_100000694244_100010084122 [0,2,0,0,0,0|2,0,0]=4 2530 B12R1.46 C=Cc1ccc(cc1C(=O)C)Br 271570a_100011290941_100012349576 [0,2,0,0,0,0|2,0,0]=4 2531 B12R1.46 C=Cc1ccc(cc1C(=O)C)C 271570a_100011290941_100012361225 [0,2,0,0,0,0|2,0,0]=4 2532 B12R1.46 C=Cc1ccc(cc1C(=O)C)F 271570a_100011290941_100012353695 [0,2,0,0,0,0|2,0,0]=4 2533 B12R1.46 C=Cc1ccc(cc1C(=O)C)N 271570a_100011290941_100012349454 [0,2,0,0,0,0|2,0,0]=4 2534 B12R1.46 C=Cc1ccc(cc1C(=O)N)Br 271570a_100011290941_200000162314 [0,2,0,0,0,0|2,0,0]=4 2535 B12R1.46 C=Cc1ccc(cc1C(=O)N)C 271570a_100011290941_200012349609 [0,2,0,0,0,0|2,0,0]=4 2536 B12R1.46 C=Cc1ccc(cc1C(=O)N)F 271570a_100011290941_100000206434 [0,2,0,0,0,0|2,0,0]=4 2537 B12R1.46 C=Cc1ccc(cc1C(=O)N)N 271570a_100011290941_100015186447 [0,2,0,0,0,0|2,0,0]=4 2538 B12R1.46 CC(=O)c1cc(ccc1C#N)F 1458a_100011217471_200000210301 [0,2,0,0,0,0|2,0,0]=4 2539 B12R1.46 CC(=O)c1cc(ccc1O[13CH3])Br 34a_100000212127_200025704644 [0,2,0,0,0,0|1,0,0]=3 2540 B12R1.46 CC(=O)c1cc(ccc1O[13CH3])Br 7a_100000212127_200025704644 [0,2,0,0,0,0|1,0,0]=3 2541 B12R1.46 CC(=O)c1cc(ccc1O[13CH3])C 34a_100000195442_200025704644 [0,2,0,0,0,0|1,0,0]=3 2542 B12R1.46 CC(=O)c1cc(ccc1O[13CH3])C 7a_100000195442_200025704644 [0,2,0,0,0,0|1,0,0]=3 2543 B12R1.46 CC(=O)c1cc(ccc1O[13CH3])Cl 34a_100000185566_200025704644 [0,2,0,0,0,0|1,0,0]=3 2544 B12R1.46 CC(=O)c1cc(ccc1O[13CH3])Cl 7a_100000185566_200025704644 [0,2,0,0,0,0|1,0,0]=3 2545 B12R1.46 CC(=O)c1cc(ccc1O[13CH3])F 7a_100000182812_200025704644 [0,2,0,0,0,0|1,0,0]=3 2546 B12R1.46 CC(=O)c1cc(ccc1O[13CH3])I 7a_100010712555_200025704644 [0,2,0,0,0,0|1,0,0]=3 2547 B12R1.46 CC(=O)c1cc(ccc1O[13CH3])N 34a_100011218865_200025704644 [0,2,0,0,0,0|1,0,0]=3 2548 B12R1.46 CC(=O)c1cc(ccc1S[13CH3])Br 62a_100012349576_200025704644 [0,2,0,0,0,0|1,1,0]=4 2549 B12R1.46 CC(=O)c1cc(ccc1S[13CH3])C 62a_100012361225_200025704644 [0,2,0,0,0,0|1,1,0]=4 2550 B12R1.46 CC(=O)c1cc(ccc1S[13CH3])C 62a_200025704644_100012361225 [0,2,0,0,0,0|1,1,0]=4 2551 B12R1.46 CC(=O)c1cc(ccc1S[13CH3])F 62a_100012353695_200025704644 [0,2,0,0,0,0|1,1,0]=4 2552 B12R1.46 CC(=O)c1cc(ccc1S[13CH3])F 62a_200025704644_100010200798 [0,2,0,0,0,0|1,1,0]=4 2553 B12R1.46 CC(=O)c1cc(ccc1S[13CH3])N 62a_100012349454_200025704644 [0,2,0,0,0,0|1,1,0]=4 2554 B12R1.46 CC(O)c1cc(ccc1O[13CH3])F 34a_200011305312_200025704644 [0,2,0,0,0,0|1,0,1]=4 2555 B12R1.46 CC(O)c1cc(ccc1O[13CH3])F 7a_200011305312_200025704644 [0,2,0,0,0,0|1,0,1]=4 2556 B12R1.46 CCc1ccc(cc1C(=O)C)Br 1458a_100012343961_200000210301 [0,2,0,0,0,0|2,0,0]=4 2557 B12R1.46 CCc1ccc(cc1C(=O)[13CH3])Br 1458a_100012343961_200025704644 [0,2,0,0,0,0|2,0,0]=4 2558 B12R1.46 CNc1ccc(cc1C(=O)N)Br 27a_100102657272_200000162314 [0,2,0,0,0,0|2,0,0]=4 2559 B12R1.46 CNc1ccc(cc1C(=O)N)Br 34a_100000740421_200000210301 [0,2,0,0,0,0|2,0,0]=4 2560 B12R1.46 CNc1ccc(cc1C(=O)N)Br 7a_100000740421_200000210301 [0,2,0,0,0,0|2,0,0]=4 2561 B12R1.46 CNc1ccc(cc1C(=O)N)C 34a_100011692829_200000210301 [0,2,0,0,0,0|2,0,0]=4 2562 B12R1.46 CNc1ccc(cc1C(=O)N)Cl 34a_100000743835_200000210301 [0,2,0,0,0,0|2,0,0]=4 2563 B12R1.46 CNc1ccc(cc1C(=O)N)Cl 7a_100000743835_200000210301 [0,2,0,0,0,0|2,0,0]=4 2564 B12R1.46 CNc1ccc(cc1C(=O)N)F 34a_100000741173_200000210301 [0,2,0,0,0,0|2,0,0]=4 2565 B12R1.46 CNc1ccc(cc1C(=O)N)F 7a_100000741173_200000210301 [0,2,0,0,0,0|2,0,0]=4 2566 B12R1.46 CNc1ccc(cc1C(=O)N)O 271570a_203496583355_200010114593 [0,2,0,0,0,0|2,0,0]=4 2567 B12R1.46 COc1ccc(cc1B(O)O)O 271570a_203496583355_100009813459 [0,2,0,0,0,0|1,0,1]=4 2568 B12R1.46 COc1ccc(cc1C(=O)C)Br 1458a_100000188853_200000210301 [0,2,0,0,0,0|1,0,0]=3 2569 B12R1.46 COc1ccc(cc1C(=O)C)Br 34a_100000212127_200000210301 [0,2,0,0,0,0|1,0,0]=3 2570 B12R1.46 COc1ccc(cc1C(=O)C)Br 7a_100000212127_200000210301 [0,2,0,0,0,0|1,0,0]=3 2571 B12R1.46 COc1ccc(cc1C(=O)C)C 1458a_100000204667_200000210301 [0,2,0,0,0,0|1,0,0]=3 2572 B12R1.46 COc1ccc(cc1C(=O)C)C 34a_100000195442_200000210301 [0,2,0,0,0,0|1,0,0]=3 2573 B12R1.46 COc1ccc(cc1C(=O)C)C 7a_100000195442_200000210301 [0,2,0,0,0,0|1,0,0]=3 2574 B12R1.46 COc1ccc(cc1C(=O)C)Cl 1458a_100000211409_200000210301 [0,2,0,0,0,0|1,0,0]=3 2575 B12R1.46 COc1ccc(cc1C(=O)C)Cl 34a_100000185566_200000210301 [0,2,0,0,0,0|1,0,0]=3 2576 B12R1.46 COc1ccc(cc1C(=O)C)Cl 7a_100000185566_200000210301 [0,2,0,0,0,0|1,0,0]=3 2577 B12R1.46 COc1ccc(cc1C(=O)C)F 1458a_100000735445_200000210301 [0,2,0,0,0,0|1,0,0]=3 2578 B12R1.46 COc1ccc(cc1C(=O)C)F 7a_100000182812_200000210301 [0,2,0,0,0,0|1,0,0]=3 2579 B12R1.46 COc1ccc(cc1C(=O)C)I 1458a_100000230898_200000210301 [0,2,0,0,0,0|1,0,0]=3 2580 B12R1.46 COc1ccc(cc1C(=O)C)I 7a_100010712555_200000210301 [0,2,0,0,0,0|1,0,0]=3 2581 B12R1.46 COc1ccc(cc1C(=O)C)N 34a_100011218865_200000210301 [0,2,0,0,0,0|1,0,0]=3 2582 B12R1.46 COc1ccc(cc1C(=O)C)O 1458a_200000100057_200000210301 [0,2,0,0,0,0|1,0,0]=3 2583 B12R1.46 COc1ccc(cc1C(=O)C)O 271570a_203496583355_100000173343 [0,2,0,0,0,0|1,0,0]=3 2584 B12R1.46 COc1ccc(cc1C(=O)N)Br 34a_100000192807_200000210301 [0,2,0,0,0,0|1,0,0]=3 2585 B12R1.46 COc1ccc(cc1C(=O)N)Br 7a_100000192807_200000210301 [0,2,0,0,0,0|1,0,0]=3 2586 B12R1.46 COc1ccc(cc1C(=O)N)C 34a_200000192840_200000210301 [0,2,0,0,0,0|1,0,0]=3 2587 B12R1.46 COc1ccc(cc1C(=O)N)C 7a_200000192840_200000210301 [0,2,0,0,0,0|1,0,0]=3 2588 B12R1.46 COc1ccc(cc1C(=O)N)Cl 34a_100000185026_200000210301 [0,2,0,0,0,0|1,0,0]=3 2589 B12R1.46 COc1ccc(cc1C(=O)N)Cl 7a_100000185026_200000210301 [0,2,0,0,0,0|1,0,0]=3 2590 B12R1.46 COc1ccc(cc1C(=O)N)F 34a_100012186459_200000210301 [0,2,0,0,0,0|1,0,0]=3 2591 B12R1.46 COc1ccc(cc1C(=O)N)F 7a_100012186459_200000210301 [0,2,0,0,0,0|1,0,0]=3 2592 B12R1.46 COc1ccc(cc1C(=O)N)I 34a_100000192813_200000210301 [0,2,0,0,0,0|1,0,0]=3 2593 B12R1.46 COc1ccc(cc1C(=O)N)I 7a_100000192813_200000210301 [0,2,0,0,0,0|1,0,0]=3 2594 B12R1.46 COc1ccc(cc1C(=O)[13CH3])Br 1458a_100000188853_200025704644 [0,2,0,0,0,0|1,0,0]=3 2595 B12R1.46 COc1ccc(cc1C(=O)[13CH3])C 1458a_100000204667_200025704644 [0,2,0,0,0,0|1,0,0]=3 2596 B12R1.46 COc1ccc(cc1C(=O)[13CH3])Cl 1458a_100000211409_200025704644 [0,2,0,0,0,0|1,0,0]=3 2597 B12R1.46 COc1ccc(cc1C(=O)[13CH3])F 1458a_100000735445_200025704644 [0,2,0,0,0,0|1,0,0]=3 2598 B12R1.46 COc1ccc(cc1C(=O)[13CH3])I 1458a_100000230898_200025704644 [0,2,0,0,0,0|1,0,0]=3 2599 B12R1.46 COc1ccc(cc1C(=O)[13CH3])O 1458a_200000100057_200025704644 [0,2,0,0,0,0|1,0,0]=3 2600 B12R1.46 COc1ccc(cc1C(C)O)F 34a_200011305312_200000210301 [0,2,0,0,0,0|1,0,1]=4 2601 B12R1.46 COc1ccc(cc1C(C)O)F 7a_200011305312_200000210301 [0,2,0,0,0,0|1,0,1]=4 2602 B12R1.46 COc1ccc(cc1[N+](=O)[O-])Br 34a_100000757407_200000210301 [0,2,0,0,0,0|1,0,1]=4 2603 B12R1.46 COc1ccc(cc1[N+](=O)[O-])Br 7a_100000757407_200000210301 [0,2,0,0,0,0|1,0,1]=4 2604 B12R1.46 COc1ccc(cc1[N+](=O)[O-])C 34a_100000195567_200000210301 [0,2,0,0,0,0|1,0,1]=4 2605 B12R1.46 COc1ccc(cc1[N+](=O)[O-])C 7a_100000195567_200000210301 [0,2,0,0,0,0|1,0,1]=4 2606 B12R1.46 COc1ccc(cc1[N+](=O)[O-])Cl 34a_100000212152_200000210301 [0,2,0,0,0,0|1,0,1]=4 2607 B12R1.46 COc1ccc(cc1[N+](=O)[O-])Cl 7a_100000212152_200000210301 [0,2,0,0,0,0|1,0,1]=4 2608 B12R1.46 COc1ccc(cc1[N+](=O)[O-])F 34a_100000748789_200000210301 [0,2,0,0,0,0|1,0,1]=4 2609 B12R1.46 COc1ccc(cc1[N+](=O)[O-])F 7a_100000748789_200000210301 [0,2,0,0,0,0|1,0,1]=4 2610 B12R1.46 COc1ccc(cc1[N+](=O)[O-])I 7a_100000698543_200000210301 [0,2,0,0,0,0|1,0,1]=4 2611 B12R1.46 COc1ccc(cc1[N+](=O)[O-])N 34a_100000032192_200000210301 [0,2,0,0,0,0|1,0,1]=4 2612 B12R1.46 COc1ccc(cc1[N+](=O)[O-])N 7a_100000032192_200000210301 [0,2,0,0,0,0|1,0,1]=4 2613 B12R1.46 COc1ncc(cc1C(=O)C)O 271570a_203496583355_100010135678 [0,2,0,0,0,0|2,0,0]=4 2614 B12R1.46 CSc1ccc(cc1C(=O)C)Br 62a_100012349576_200000210301 [0,2,0,0,0,0|1,1,0]=4 2615 B12R1.46 CSc1ccc(cc1C(=O)C)C 62a_100012361225_200000210301 [0,2,0,0,0,0|1,1,0]=4 2616 B12R1.46 CSc1ccc(cc1C(=O)C)C 62a_200000210301_100012361225 [0,2,0,0,0,0|1,1,0]=4 2617 B12R1.46 CSc1ccc(cc1C(=O)C)F 62a_100012353695_200000210301 [0,2,0,0,0,0|1,1,0]=4 2618 B12R1.46 CSc1ccc(cc1C(=O)C)F 62a_200000210301_100010200798 [0,2,0,0,0,0|1,1,0]=4 2619 B12R1.46 CSc1ccc(cc1C(=O)C)N 62a_100012349454_200000210301 [0,2,0,0,0,0|1,1,0]=4 2620 B12R1.46 CSc1ccc(cc1C(=O)N)Br 62a_200000162314_200000210301 [0,2,0,0,0,0|1,1,0]=4 2621 B12R1.46 CSc1ccc(cc1C(=O)N)C 62a_200000210301_200012349609 [0,2,0,0,0,0|1,1,0]=4 2622 B12R1.46 CSc1ccc(cc1C(=O)N)C 62a_200012349609_200000210301 [0,2,0,0,0,0|1,1,0]=4 2623 B12R1.46 CSc1ccc(cc1C(=O)N)F 62a_100000206434_200000210301 [0,2,0,0,0,0|1,1,0]=4 2624 B12R1.46 CSc1ccc(cc1C(=O)N)F 62a_200000210301_100000206434 [0,2,0,0,0,0|1,1,0]=4 2625 B12R1.46 CSc1ccc(cc1C(=O)N)N 62a_100015186447_200000210301 [0,2,0,0,0,0|1,1,0]=4 2626 B12R1.46 CSc1ccc(cc1C(=O)O)Br 62a_100011072988_200000210301 [0,2,0,0,0,0|0,1,0]=3 2627 B12R1.46 Cc1ccc(c(c1)C(=O)N)N[13CH3] 34a_100011692829_200025704644 [0,2,0,0,0,0|2,0,0]=4 2628 B12R1.46 Cc1ccc(c(c1)C(=O)N)O[13CH3] 34a_200000192840_200025704644 [0,2,0,0,0,0|1,0,0]=3 2629 B12R1.46 Cc1ccc(c(c1)C(=O)N)O[13CH3] 7a_200000192840_200025704644 [0,2,0,0,0,0|1,0,0]=3 2630 B12R1.46 Cc1ccc(c(c1)C(=O)N)S[13CH3] 62a_200012349609_200025704644 [0,2,0,0,0,0|1,1,0]=4 2631 B12R1.46 Cc1ccc(c(c1)C(=O)N)S[13CH3] 62a_200025704644_200012349609 [0,2,0,0,0,0|1,1,0]=4 2632 B12R1.46 Cc1ccc(c(c1)[N+](=O)[O-])O[13CH3] 34a_100000195567_200025704644 [0,2,0,0,0,0|1,0,1]=4 2633 B12R1.46 Cc1ccc(c(c1)[N+](=O)[O-])O[13CH3] 7a_100000195567_200025704644 [0,2,0,0,0,0|1,0,1]=4 2634 B12R1.46 [13CH3]C(=O)c1cc(ccc1C#N)F 1458a_100011217471_200025704644 [0,2,0,0,0,0|2,0,0]=4 2635 B12R1.46 [13CH3]Nc1ccc(cc1C(=O)N)Br 34a_100000740421_200025704644 [0,2,0,0,0,0|2,0,0]=4 2636 B12R1.46 [13CH3]Nc1ccc(cc1C(=O)N)Br 7a_100000740421_200025704644 [0,2,0,0,0,0|2,0,0]=4 2637 B12R1.46 [13CH3]Nc1ccc(cc1C(=O)N)Cl 34a_100000743835_200025704644 [0,2,0,0,0,0|2,0,0]=4 2638 B12R1.46 [13CH3]Nc1ccc(cc1C(=O)N)Cl 7a_100000743835_200025704644 [0,2,0,0,0,0|2,0,0]=4 2639 B12R1.46 [13CH3]Nc1ccc(cc1C(=O)N)F 34a_100000741173_200025704644 [0,2,0,0,0,0|2,0,0]=4 2640 B12R1.46 [13CH3]Nc1ccc(cc1C(=O)N)F 7a_100000741173_200025704644 [0,2,0,0,0,0|2,0,0]=4 2641 B12R1.46 [13CH3]Oc1ccc(cc1C(=O)N)Br 34a_100000192807_200025704644 [0,2,0,0,0,0|1,0,0]=3 2642 B12R1.46 [13CH3]Oc1ccc(cc1C(=O)N)Br 7a_100000192807_200025704644 [0,2,0,0,0,0|1,0,0]=3 2643 B12R1.46 [13CH3]Oc1ccc(cc1C(=O)N)Cl 34a_100000185026_200025704644 [0,2,0,0,0,0|1,0,0]=3 2644 B12R1.46 [13CH3]Oc1ccc(cc1C(=O)N)Cl 7a_100000185026_200025704644 [0,2,0,0,0,0|1,0,0]=3 2645 B12R1.46 [13CH3]Oc1ccc(cc1C(=O)N)F 34a_100012186459_200025704644 [0,2,0,0,0,0|1,0,0]=3 2646 B12R1.46 [13CH3]Oc1ccc(cc1C(=O)N)F 7a_100012186459_200025704644 [0,2,0,0,0,0|1,0,0]=3 2647 B12R1.46 [13CH3]Oc1ccc(cc1C(=O)N)I 34a_100000192813_200025704644 [0,2,0,0,0,0|1,0,0]=3 2648 B12R1.46 [13CH3]Oc1ccc(cc1C(=O)N)I 7a_100000192813_200025704644 [0,2,0,0,0,0|1,0,0]=3 2649 B12R1.46 [13CH3]Oc1ccc(cc1[N+](=O)[O-])Br 34a_100000757407_200025704644 [0,2,0,0,0,0|1,0,1]=4 2650 B12R1.46 [13CH3]Oc1ccc(cc1[N+](=O)[O-])Br 7a_100000757407_200025704644 [0,2,0,0,0,0|1,0,1]=4 2651 B12R1.46 [13CH3]Oc1ccc(cc1[N+](=O)[O-])Cl 34a_100000212152_200025704644 [0,2,0,0,0,0|1,0,1]=4 2652 B12R1.46 [13CH3]Oc1ccc(cc1[N+](=O)[O-])Cl 7a_100000212152_200025704644 [0,2,0,0,0,0|1,0,1]=4 2653 B12R1.46 [13CH3]Oc1ccc(cc1[N+](=O)[O-])F 34a_100000748789_200025704644 [0,2,0,0,0,0|1,0,1]=4 2654 B12R1.46 [13CH3]Oc1ccc(cc1[N+](=O)[O-])F 7a_100000748789_200025704644 [0,2,0,0,0,0|1,0,1]=4 2655 B12R1.46 [13CH3]Oc1ccc(cc1[N+](=O)[O-])I 7a_100000698543_200025704644 [0,2,0,0,0,0|1,0,1]=4 2656 B12R1.46 [13CH3]Oc1ccc(cc1[N+](=O)[O-])N 34a_100000032192_200025704644 [0,2,0,0,0,0|1,0,1]=4 2657 B12R1.46 [13CH3]Oc1ccc(cc1[N+](=O)[O-])N 7a_100000032192_200025704644 [0,2,0,0,0,0|1,0,1]=4 2658 B12R1.46 [13CH3]Sc1ccc(cc1C(=O)N)Br 62a_200000162314_200025704644 [0,2,0,0,0,0|1,1,0]=4 2659 B12R1.46 [13CH3]Sc1ccc(cc1C(=O)N)F 62a_100000206434_200025704644 [0,2,0,0,0,0|1,1,0]=4 2660 B12R1.46 [13CH3]Sc1ccc(cc1C(=O)N)F 62a_200025704644_100000206434 [0,2,0,0,0,0|1,1,0]=4 2661 B12R1.46 [13CH3]Sc1ccc(cc1C(=O)N)N 62a_100015186447_200025704644 [0,2,0,0,0,0|1,1,0]=4 2662 B12R1.46 [13CH3]Sc1ccc(cc1C(=O)O)Br 62a_100011072988_200025704644 [0,2,0,0,0,0|0,1,0]=3 2663 B12R1.57 C=C(C)c1ccc(cc1CO)Br 271570a_100000694244_100011356890 [0,2,0,0,0,0|2,0,0]=4 2664 B12R1.57 C=C(C)c1ccc(cc1CO)C 271570a_100000694244_100012361352 [0,2,0,0,0,0|2,0,0]=4 2665 B12R1.57 C=C(C)c1ccc(cc1CO)F 271570a_100000694244_100011217561 [0,2,0,0,0,0|2,0,0]=4 2666 B12R1.57 C=C(C)c1ccc(cc1CO)N 271570a_100000694244_100012347228 [0,2,0,0,0,0|2,0,0]=4 2667 B12R1.57 C=C(C)c1ccc(cc1CO)O 271570a_100000694244_100012351483 [0,2,0,0,0,0|2,0,0]=4 2668 B12R1.57 C=C(C)c1ccc(cc1OC)Br 271570a_100000694244_100010245111 [0,2,0,0,0,0|2,0,0]=4 2669 B12R1.57 C=C(C)c1ccc(cc1OC)C 271570a_100000694244_100010200004 [0,2,0,0,0,0|2,0,0]=4 2670 B12R1.57 C=C(C)c1ccc(cc1OC)Cl 271570a_100000694244_100000050115 [0,2,0,0,0,0|2,0,0]=4 2671 B12R1.57 C=C(C)c1ccc(cc1OC)F 271570a_100000694244_100000757151 [0,2,0,0,0,0|2,0,0]=4 2672 B12R1.57 C=C(C)c1ccc(cc1OC)N 271570a_100000694244_100000765947 [0,2,0,0,0,0|2,0,0]=4 2673 B12R1.57 C=C(C)c1ccc(cc1OC)O 271570a_100000694244_100011827694 [0,2,0,0,0,0|2,0,0]=4 2674 B12R1.57 C=Cc1cc(ccc1C(=O)C)C 271570a_100011290941_100012353930 [0,2,0,0,0,0|2,0,0]=4 2675 B12R1.57 C=Cc1cc(ccc1C(=O)C)F 271570a_100011290941_100000686192 [0,2,0,0,0,0|2,0,0]=4 2676 B12R1.57 C=Cc1cc(ccc1C(=O)C)O 271570a_100011290941_100012340537 [0,2,0,0,0,0|2,0,0]=4 2677 B12R1.57 C=Cc1cc(ccc1C(=O)N)Br 271570a_100011290941_100009815748 [0,2,0,0,0,0|2,0,0]=4 2678 B12R1.57 C=Cc1cc(ccc1C(=O)N)F 271570a_100011290941_100000206404 [0,2,0,0,0,0|2,0,0]=4 2679 B12R1.57 CC(=O)c1ccc(cc1C#N)Br 1458a_100012349539_200000210301 [0,2,0,0,0,0|2,0,0]=4 2680 B12R1.57 CC(=O)c1ccc(cc1C#N)C 1458a_200012184421_200000210301 [0,2,0,0,0,0|2,0,0]=4 2681 B12R1.57 CC(=O)c1ccc(cc1C#N)F 1458a_100012002388_200000210301 [0,2,0,0,0,0|2,0,0]=4 2682 B12R1.57 CC(=O)c1ccc(cc1CO)Br 1458a_100010253900_200000210301 [0,2,0,0,0,0|1,0,0]=3 2683 B12R1.57 CC(=O)c1ccc(cc1CO)F 1458a_100013035055_200000210301 [0,2,0,0,0,0|1,0,0]=3 2684 B12R1.57 CC(=O)c1ccc(cc1O[13CH3])Br 7a_100000188348_200025704644 [0,2,0,0,0,0|1,0,0]=3 2685 B12R1.57 CC(=O)c1ccc(cc1O[13CH3])C 34a_100000234885_200025704644 [0,2,0,0,0,0|1,0,0]=3 2686 B12R1.57 CC(=O)c1ccc(cc1O[13CH3])C 7a_100000234885_200025704644 [0,2,0,0,0,0|1,0,0]=3 2687 B12R1.57 CC(=O)c1ccc(cc1O[13CH3])Cl 34a_100000061402_200025704644 [0,2,0,0,0,0|1,0,0]=3 2688 B12R1.57 CC(=O)c1ccc(cc1O[13CH3])Cl 7a_100000061402_200025704644 [0,2,0,0,0,0|1,0,0]=3 2689 B12R1.57 CC(=O)c1ccc(cc1O[13CH3])F 7a_100011215782_200025704644 [0,2,0,0,0,0|1,0,0]=3 2690 B12R1.57 CC(=O)c1ccc(cc1S[13CH3])C 62a_100012353930_200025704644 [0,2,0,0,0,0|1,1,0]=4 2691 B12R1.57 CC(=O)c1ccc(cc1S[13CH3])C 62a_200025704644_100012353930 [0,2,0,0,0,0|1,1,0]=4 2692 B12R1.57 CC(=O)c1ccc(cc1S[13CH3])F 62a_100000686192_200025704644 [0,2,0,0,0,0|1,1,0]=4 2693 B12R1.57 CC(=O)c1ccc(cc1S[13CH3])O 62a_100012340537_200025704644 [0,2,0,0,0,0|1,1,0]=4 2694 B12R1.57 CCc1cc(ccc1C(=O)C)Br 1458a_200012349896_200000210301 [0,2,0,0,0,0|2,0,0]=4 2695 B12R1.57 CCc1cc(ccc1C(=O)[13CH3])Br 1458a_200012349896_200025704644 [0,2,0,0,0,0|2,0,0]=4 2696 B12R1.57 CNc1cc(ccc1C(=O)C)F 27a_100102657272_100000686192 [0,2,0,0,0,0|2,0,0]=4 2697 B12R1.57 CNc1cc(ccc1C(=O)N)Br 27a_100102657272_100009815748 [0,2,0,0,0,0|2,0,0]=4 2698 B12R1.57 CNc1cc(ccc1C(=O)N)Br 7a_100012349972_200000210301 [0,2,0,0,0,0|2,0,0]=4 2699 B12R1.57 CNc1cc(ccc1C(=O)N)C 34a_100011219537_200000210301 [0,2,0,0,0,0|2,0,0]=4 2700 B12R1.57 CNc1cc(ccc1C(=O)N)C 7a_100011219537_200000210301 [0,2,0,0,0,0|2,0,0]=4 2701 B12R1.57 CNc1cc(ccc1C(=O)N)Cl 34a_100000738103_200000210301 [0,2,0,0,0,0|2,0,0]=4 2702 B12R1.57 CNc1cc(ccc1C(=O)N)Cl 7a_100000738103_200000210301 [0,2,0,0,0,0|2,0,0]=4 2703 B12R1.57 CNc1cc(ccc1C(=O)N)F 27a_100102657272_100000206404 [0,2,0,0,0,0|2,0,0]=4 2704 B12R1.57 CNc1cc(ccc1C(=O)N)F 34a_100011298637_200000210301 [0,2,0,0,0,0|2,0,0]=4 2705 B12R1.57 COc1cc(ccc1B(O)O)O 271570a_203496583355_100010245881 [0,2,0,0,0,0|1,0,1]=4 2706 B12R1.57 COc1cc(ccc1C(=O)C)Br 1458a_100000748230_200000210301 [0,2,0,0,0,0|1,0,0]=3 2707 B12R1.57 COc1cc(ccc1C(=O)C)Br 7a_100000188348_200000210301 [0,2,0,0,0,0|1,0,0]=3 2708 B12R1.57 COc1cc(ccc1C(=O)C)C 1458a_100000217210_200000210301 [0,2,0,0,0,0|1,0,0]=3 2709 B12R1.57 COc1cc(ccc1C(=O)C)C 34a_100000234885_200000210301 [0,2,0,0,0,0|1,0,0]=3 2710 B12R1.57 COc1cc(ccc1C(=O)C)C 7a_100000234885_200000210301 [0,2,0,0,0,0|1,0,0]=3 2711 B12R1.57 COc1cc(ccc1C(=O)C)Cl 1458a_100000217211_200000210301 [0,2,0,0,0,0|1,0,0]=3 2712 B12R1.57 COc1cc(ccc1C(=O)C)Cl 34a_100000061402_200000210301 [0,2,0,0,0,0|1,0,0]=3 2713 B12R1.57 COc1cc(ccc1C(=O)C)Cl 7a_100000061402_200000210301 [0,2,0,0,0,0|1,0,0]=3 2714 B12R1.57 COc1cc(ccc1C(=O)C)F 1458a_100000239970_200000210301 [0,2,0,0,0,0|1,0,0]=3 2715 B12R1.57 COc1cc(ccc1C(=O)C)F 7a_100011215782_200000210301 [0,2,0,0,0,0|1,0,0]=3 2716 B12R1.57 COc1cc(ccc1C(=O)C)I 1458a_100012353712_200000210301 [0,2,0,0,0,0|1,0,0]=3 2717 B12R1.57 COc1cc(ccc1C(=O)C)O 271570a_203496583355_100000709911 [0,2,0,0,0,0|1,0,0]=3 2718 B12R1.57 COc1cc(ccc1C(=O)N)Br 34a_100011550861_200000210301 [0,2,0,0,0,0|1,0,0]=3 2719 B12R1.57 COc1cc(ccc1C(=O)N)Br 7a_100011550861_200000210301 [0,2,0,0,0,0|1,0,0]=3 2720 B12R1.57 COc1cc(ccc1C(=O)N)C 34a_100000192831_200000210301 [0,2,0,0,0,0|1,0,0]=3 2721 B12R1.57 COc1cc(ccc1C(=O)N)C 7a_100000192831_200000210301 [0,2,0,0,0,0|1,0,0]=3 2722 B12R1.57 COc1cc(ccc1C(=O)N)Cl 34a_100000192836_200000210301 [0,2,0,0,0,0|1,0,0]=3 2723 B12R1.57 COc1cc(ccc1C(=O)N)Cl 7a_100000192836_200000210301 [0,2,0,0,0,0|1,0,0]=3 2724 B12R1.57 COc1cc(ccc1C(=O)N)N 34a_100000223280_200000210301 [0,2,0,0,0,0|1,0,0]=3 2725 B12R1.57 COc1cc(ccc1C(=O)N)N 7a_100000223280_200000210301 [0,2,0,0,0,0|1,0,0]=3 2726 B12R1.57 COc1cc(ccc1C(=O)N)O 271570a_203496583355_100000748320 [0,2,0,0,0,0|1,0,0]=3 2727 B12R1.57 COc1cc(ccc1C(=O)[13CH3])Br 1458a_100000748230_200025704644 [0,2,0,0,0,0|1,0,0]=3 2728 B12R1.57 COc1cc(ccc1C(=O)[13CH3])C 1458a_100000217210_200025704644 [0,2,0,0,0,0|1,0,0]=3 2729 B12R1.57 COc1cc(ccc1C(=O)[13CH3])Cl 1458a_100000217211_200025704644 [0,2,0,0,0,0|1,0,0]=3 2730 B12R1.57 COc1cc(ccc1C(=O)[13CH3])F 1458a_100000239970_200025704644 [0,2,0,0,0,0|1,0,0]=3 2731 B12R1.57 COc1cc(ccc1C(=O)[13CH3])I 1458a_100012353712_200025704644 [0,2,0,0,0,0|1,0,0]=3 2732 B12R1.57 COc1cc(ccc1[N+](=O)[O-])Br 7a_100011934350_200000210301 [0,2,0,0,0,0|1,0,1]=4 2733 B12R1.57 COc1cc(ccc1[N+](=O)[O-])C 34a_100000195450_200000210301 [0,2,0,0,0,0|1,0,1]=4 2734 B12R1.57 COc1cc(ccc1[N+](=O)[O-])C 7a_100000195450_200000210301 [0,2,0,0,0,0|1,0,1]=4 2735 B12R1.57 COc1cc(ccc1[N+](=O)[O-])Cl 34a_100000746067_200000210301 [0,2,0,0,0,0|1,0,1]=4 2736 B12R1.57 COc1cc(ccc1[N+](=O)[O-])Cl 7a_100000746067_200000210301 [0,2,0,0,0,0|1,0,1]=4 2737 B12R1.57 COc1cc(ccc1[N+](=O)[O-])F 34a_100000210785_200000210301 [0,2,0,0,0,0|1,0,1]=4 2738 B12R1.57 COc1cc(ccc1[N+](=O)[O-])F 7a_100000210785_200000210301 [0,2,0,0,0,0|1,0,1]=4 2739 B12R1.57 COc1cc(ccc1[N+](=O)[O-])I 7a_100000072657_200000210301 [0,2,0,0,0,0|1,0,1]=4 2740 B12R1.57 COc1cc(cnc1C(=O)C)O 271570a_203496583355_100010137934 [0,2,0,0,0,0|2,0,0]=4 2741 B12R1.57 CSc1cc(ccc1C(=O)C)C 62a_100012353930_200000210301 [0,2,0,0,0,0|1,1,0]=4 2742 B12R1.57 CSc1cc(ccc1C(=O)C)C 62a_200000210301_100012353930 [0,2,0,0,0,0|1,1,0]=4 2743 B12R1.57 CSc1cc(ccc1C(=O)C)F 62a_100000686192_200000210301 [0,2,0,0,0,0|1,1,0]=4 2744 B12R1.57 CSc1cc(ccc1C(=O)C)O 62a_100012340537_200000210301 [0,2,0,0,0,0|1,1,0]=4 2745 B12R1.57 CSc1cc(ccc1C(=O)N)Br 62a_100009815748_200000210301 [0,2,0,0,0,0|1,1,0]=4 2746 B12R1.57 CSc1cc(ccc1C(=O)N)F 62a_100000206404_200000210301 [0,2,0,0,0,0|1,1,0]=4 2747 B12R1.57 CSc1cc(ccc1C(=O)N)F 62a_200000210301_100000206404 [0,2,0,0,0,0|1,1,0]=4 2748 B12R1.57 Cc1ccc(c(c1)C#N)C(=O)[13CH3] 1458a_200012184421_200025704644 [0,2,0,0,0,0|2,0,0]=4 2749 B12R1.57 Cc1ccc(c(c1)N[13CH3])C(=O)N 34a_100011219537_200025704644 [0,2,0,0,0,0|2,0,0]=4 2750 B12R1.57 Cc1ccc(c(c1)N[13CH3])C(=O)N 7a_100011219537_200025704644 [0,2,0,0,0,0|2,0,0]=4 2751 B12R1.57 Cc1ccc(c(c1)O[13CH3])C(=O)N 34a_100000192831_200025704644 [0,2,0,0,0,0|1,0,0]=3 2752 B12R1.57 Cc1ccc(c(c1)O[13CH3])C(=O)N 7a_100000192831_200025704644 [0,2,0,0,0,0|1,0,0]=3 2753 B12R1.57 Cc1ccc(c(c1)O[13CH3])[N+](=O)[O-] 34a_100000195450_200025704644 [0,2,0,0,0,0|1,0,1]=4 2754 B12R1.57 Cc1ccc(c(c1)O[13CH3])[N+](=O)[O-] 7a_100000195450_200025704644 [0,2,0,0,0,0|1,0,1]=4 2755 B12R1.57 [13CH3]C(=O)c1ccc(cc1C#N)Br 1458a_100012349539_200025704644 [0,2,0,0,0,0|2,0,0]=4 2756 B12R1.57 [13CH3]C(=O)c1ccc(cc1C#N)F 1458a_100012002388_200025704644 [0,2,0,0,0,0|2,0,0]=4 2757 B12R1.57 [13CH3]C(=O)c1ccc(cc1CO)Br 1458a_100010253900_200025704644 [0,2,0,0,0,0|1,0,0]=3 2758 B12R1.57 [13CH3]C(=O)c1ccc(cc1CO)F 1458a_100013035055_200025704644 [0,2,0,0,0,0|1,0,0]=3 2759 B12R1.57 [13CH3]Nc1cc(ccc1C(=O)N)Br 7a_100012349972_200025704644 [0,2,0,0,0,0|2,0,0]=4 2760 B12R1.57 [13CH3]Nc1cc(ccc1C(=O)N)Cl 34a_100000738103_200025704644 [0,2,0,0,0,0|2,0,0]=4 2761 B12R1.57 [13CH3]Nc1cc(ccc1C(=O)N)Cl 7a_100000738103_200025704644 [0,2,0,0,0,0|2,0,0]=4 2762 B12R1.57 [13CH3]Nc1cc(ccc1C(=O)N)F 34a_100011298637_200025704644 [0,2,0,0,0,0|2,0,0]=4 2763 B12R1.57 [13CH3]Oc1cc(ccc1C(=O)N)Br 34a_100011550861_200025704644 [0,2,0,0,0,0|1,0,0]=3 2764 B12R1.57 [13CH3]Oc1cc(ccc1C(=O)N)Br 7a_100011550861_200025704644 [0,2,0,0,0,0|1,0,0]=3 2765 B12R1.57 [13CH3]Oc1cc(ccc1C(=O)N)Cl 34a_100000192836_200025704644 [0,2,0,0,0,0|1,0,0]=3 2766 B12R1.57 [13CH3]Oc1cc(ccc1C(=O)N)Cl 7a_100000192836_200025704644 [0,2,0,0,0,0|1,0,0]=3 2767 B12R1.57 [13CH3]Oc1cc(ccc1C(=O)N)N 34a_100000223280_200025704644 [0,2,0,0,0,0|1,0,0]=3 2768 B12R1.57 [13CH3]Oc1cc(ccc1C(=O)N)N 7a_100000223280_200025704644 [0,2,0,0,0,0|1,0,0]=3 2769 B12R1.57 [13CH3]Oc1cc(ccc1[N+](=O)[O-])Br 7a_100011934350_200025704644 [0,2,0,0,0,0|1,0,1]=4 2770 B12R1.57 [13CH3]Oc1cc(ccc1[N+](=O)[O-])Cl 34a_100000746067_200025704644 [0,2,0,0,0,0|1,0,1]=4 2771 B12R1.57 [13CH3]Oc1cc(ccc1[N+](=O)[O-])Cl 7a_100000746067_200025704644 [0,2,0,0,0,0|1,0,1]=4 2772 B12R1.57 [13CH3]Oc1cc(ccc1[N+](=O)[O-])F 34a_100000210785_200025704644 [0,2,0,0,0,0|1,0,1]=4 2773 B12R1.57 [13CH3]Oc1cc(ccc1[N+](=O)[O-])F 7a_100000210785_200025704644 [0,2,0,0,0,0|1,0,1]=4 2774 B12R1.57 [13CH3]Oc1cc(ccc1[N+](=O)[O-])I 7a_100000072657_200025704644 [0,2,0,0,0,0|1,0,1]=4 2775 B12R1.57 [13CH3]Sc1cc(ccc1C(=O)N)Br 62a_100009815748_200025704644 [0,2,0,0,0,0|1,1,0]=4 2776 B12R1.57 [13CH3]Sc1cc(ccc1C(=O)N)F 62a_100000206404_200025704644 [0,2,0,0,0,0|1,1,0]=4 2777 B12R1.57 [13CH3]Sc1cc(ccc1C(=O)N)F 62a_200025704644_100000206404 [0,2,0,0,0,0|1,1,0]=4 2778 B12R1.76 COc1ccccc1S(=O)(=O)C 34a_100000054562_200000210301 [0,2,0,0,0,0|1,0,1]=4 2779 B12R1.76 COc1ccccc1S(=O)(=O)C 7a_100000054562_200000210301 [0,2,0,0,0,0|1,0,1]=4 2780 B12R1.76 CS(=O)(=O)c1ccccc1O[13CH3] 34a_100000054562_200025704644 [0,2,0,0,0,0|1,0,1]=4 2781 B12R1.76 CS(=O)(=O)c1ccccc1O[13CH3] 7a_100000054562_200025704644 [0,2,0,0,0,0|1,0,1]=4 2782 B12R1.77 C#Cc1ccccc1C(=O)CC 1458a_100011243808_100000210202 [0,2,0,0,0,0|2,0,0]=4 2783 B12R1.77 C#Cc1ccccc1C(=O)CF 1458a_100011243808_100015361967 [0,2,0,0,0,0|2,0,0]=4 2784 B12R1.77 C#Cc1ccccc1C(=O)NC 527a_100102657272_100011243808 [0,2,0,0,0,0|2,0,0]=4 2785 B12R1.77 C=Cc1ccccc1C(=O)CC 1458a_100011830265_100000210202 [0,2,0,0,0,0|2,0,0]=4 2786 B12R1.77 C=Cc1ccccc1C(=O)CF 1458a_100011830265_100015361967 [0,2,0,0,0,0|2,0,0]=4 2787 B12R1.77 C=Cc1ccccc1C(=O)NC 1626a_100102657272_100011830265 [0,2,0,0,0,0|2,0,0]=4 2788 B12R1.77 C=Cc1ccccc1C(=O)NC 271570a_100011290941_100000155073 [0,2,0,0,0,0|2,0,0]=4 2789 B12R1.77 C=Cc1ccccc1C(=O)NN 271570a_100011290941_100000190081 [0,2,0,0,0,0|2,0,0]=4 2790 B12R1.77 C=Cc1ccccc1C(=O)OC 271570a_100011290941_100000148710 [0,2,0,0,0,0|1,0,0]=3 2791 B12R1.77 C=Cc1cccnc1C(=O)OC 271570a_100011290941_100011935214 [0,2,0,0,0,0|2,0,0]=4 2792 B12R1.77 C=Cc1ccncc1C(=O)OC 271570a_100011290941_100020629055 [0,2,0,0,0,0|2,0,0]=4 2793 B12R1.77 C=Cc1cnccc1C(=O)OC 271570a_100011290941_100010008606 [0,2,0,0,0,0|2,0,0]=4 2794 B12R1.77 C=Cc1ncccc1C(=O)OC 271570a_100011290941_100000150852 [0,2,0,0,0,0|2,0,0]=4 2795 B12R1.77 CC(=NO)c1ccccc1O[13CH3] 34a_100000164216_200025704644 [0,2,0,0,0,0|1,0,0]=3 2796 B12R1.77 CCC(=O)c1ccccc1C#N 1458a_100000742908_100000210202 [0,2,0,0,0,0|2,0,0]=4 2797 B12R1.77 CCC(=O)c1ccccc1CC 1458a_100000689120_100000210202 [0,2,0,0,0,0|2,0,0]=4 2798 B12R1.77 CCC(=O)c1ccccc1CO 1458a_100011301526_100000210202 [0,2,0,0,0,0|1,0,0]=3 2799 B12R1.77 CCC(=O)c1ccccc1I=O 1458a_100000032414_100000210202 [0,2,0,0,0,0|1,0,1]=4 2800 B12R1.77 CCC(=O)c1ccccc1OC 1458a_100000185835_100000210202 [0,2,0,0,0,0|1,0,0]=3 2801 B12R1.77 CCC(=O)c1ccccc1OC 7a_100000184720_200000210301 [0,2,0,0,0,0|1,0,0]=3 2802 B12R1.77 CCC(=O)c1ccccc1O[13CH3] 7a_100000184720_200025704644 [0,2,0,0,0,0|1,0,0]=3 2803 B12R1.77 CCC(=O)c1ccccc1SC 1458a_100000183967_100000210202 [0,2,0,0,0,0|1,1,0]=4 2804 B12R1.77 CCc1ccccc1C(=O)CF 1458a_100000689120_100015361967 [0,2,0,0,0,0|2,0,0]=4 2805 B12R1.77 CCc1ccccc1C(=O)NC 11a_106832991635_100000689120 [0,2,0,0,0,0|2,0,0]=4 2806 B12R1.77 CCc1ccccc1C(=O)NC 1626a_100102657272_100000689120 [0,2,0,0,0,0|2,0,0]=4 2807 B12R1.77 CCc1ccccc1C(=O)NC 240690a_100102657272_100000689120 [0,2,0,0,0,0|2,0,0]=4 2808 B12R1.77 CCc1ccccc1C(=O)NC 527a_100102657272_100000689120 [0,2,0,0,0,0|2,0,0]=4 2809 B12R1.77 CNC(=O)c1ccccc1C#N 11a_106832991635_100000742908 [0,2,0,0,0,0|2,0,0]=4 2810 B12R1.77 CNC(=O)c1ccccc1C#N 1626a_100102657272_100000742908 [0,2,0,0,0,0|2,0,0]=4 2811 B12R1.77 CNC(=O)c1ccccc1C#N 527a_100102657272_100000742908 [0,2,0,0,0,0|2,0,0]=4 2812 B12R1.77 CNC(=O)c1ccccc1I=O 1626a_100102657272_100000032414 [0,2,0,0,0,0|1,0,1]=4 2813 B12R1.77 CNC(=O)c1ccccc1I=O 240690a_100102657272_100000032414 [0,2,0,0,0,0|1,0,1]=4 2814 B12R1.77 CNC(=O)c1ccccc1I=O 527a_100102657272_100000032414 [0,2,0,0,0,0|1,0,1]=4 2815 B12R1.77 CNC(=O)c1ccccc1NC 27a_100102657272_100000155073 [0,2,0,0,0,0|2,0,0]=4 2816 B12R1.77 CNC(=O)c1ccccc1NC 34a_100000185696_200000210301 [0,2,0,0,0,0|2,0,0]=4 2817 B12R1.77 CNC(=O)c1ccccc1N[13CH3] 34a_100000185696_200025704644 [0,2,0,0,0,0|2,0,0]=4 2818 B12R1.77 CNC(=O)c1ccccc1OC 11a_106832991635_100000185835 [0,2,0,0,0,0|1,0,0]=3 2819 B12R1.77 CNC(=O)c1ccccc1OC 1626a_100102657272_100000185835 [0,2,0,0,0,0|1,0,0]=3 2820 B12R1.77 CNC(=O)c1ccccc1OC 240690a_100102657272_100000185835 [0,2,0,0,0,0|1,0,0]=3 2821 B12R1.77 CNC(=O)c1ccccc1OC 34a_100000185920_200000210301 [0,2,0,0,0,0|1,0,0]=3 2822 B12R1.77 CNC(=O)c1ccccc1OC 527a_100102657272_100000185835 [0,2,0,0,0,0|1,0,0]=3 2823 B12R1.77 CNC(=O)c1ccccc1OC 7a_100000185920_200000210301 [0,2,0,0,0,0|1,0,0]=3 2824 B12R1.77 CNC(=O)c1ccccc1O[13CH3] 34a_100000185920_200025704644 [0,2,0,0,0,0|1,0,0]=3 2825 B12R1.77 CNC(=O)c1ccccc1O[13CH3] 7a_100000185920_200025704644 [0,2,0,0,0,0|1,0,0]=3 2826 B12R1.77 CNC(=O)c1ccccc1SC 11a_106832991635_100000183967 [0,2,0,0,0,0|1,1,0]=4 2827 B12R1.77 CNC(=O)c1ccccc1SC 1626a_100102657272_100000183967 [0,2,0,0,0,0|1,1,0]=4 2828 B12R1.77 CNC(=O)c1ccccc1SC 240690a_100102657272_100000183967 [0,2,0,0,0,0|1,1,0]=4 2829 B12R1.77 CNC(=O)c1ccccc1SC 527a_100102657272_100000183967 [0,2,0,0,0,0|1,1,0]=4 2830 B12R1.77 CNC(=O)c1ccccc1SC 62a_100000155073_200000210301 [0,2,0,0,0,0|1,1,0]=4 2831 B12R1.77 CNC(=O)c1ccccc1SC 62a_200000210301_100000155073 [0,2,0,0,0,0|1,1,0]=4 2832 B12R1.77 CNC(=O)c1ccccc1S[13CH3] 62a_100000155073_200025704644 [0,2,0,0,0,0|1,1,0]=4 2833 B12R1.77 CNC(=O)c1ccccc1S[13CH3] 62a_200025704644_100000155073 [0,2,0,0,0,0|1,1,0]=4 2834 B12R1.77 CNC(=O)c1ncccc1OC 34a_100011376092_200000210301 [0,2,0,0,0,0|2,0,0]=4 2835 B12R1.77 CNC(=O)c1ncccc1OC 7a_100011376092_200000210301 [0,2,0,0,0,0|2,0,0]=4 2836 B12R1.77 CNC(=O)c1ncccc1O[13CH3] 34a_100011376092_200025704644 [0,2,0,0,0,0|2,0,0]=4 2837 B12R1.77 CNC(=O)c1ncccc1O[13CH3] 7a_100011376092_200025704644 [0,2,0,0,0,0|2,0,0]=4 2838 B12R1.77 CNc1ncccc1C(=O)OC 27a_100102657272_100000150852 [0,2,0,0,0,0|2,0,0]=4 2839 B12R1.77 COC(=O)c1ccccc1OC 7a_100000150335_200000210301 [0,2,0,0,0,0|0,0,0]=2 2840 B12R1.77 COC(=O)c1ccccc1O[13CH3] 7a_100000150335_200025704644 [0,2,0,0,0,0|0,0,0]=2 2841 B12R1.77 COC(=O)c1ccccc1SC 62a_100000148710_200000210301 [0,2,0,0,0,0|0,1,0]=3 2842 B12R1.77 COC(=O)c1ccccc1SC 62a_200000210301_100000148710 [0,2,0,0,0,0|0,1,0]=3 2843 B12R1.77 COC(=O)c1ccccc1S[13CH3] 62a_100000148710_200025704644 [0,2,0,0,0,0|0,1,0]=3 2844 B12R1.77 COC(=O)c1ccccc1S[13CH3] 62a_200025704644_100000148710 [0,2,0,0,0,0|0,1,0]=3 2845 B12R1.77 COC(=O)c1cccnc1SC 62a_100011587185_200000210301 [0,2,0,0,0,0|1,1,0]=4 2846 B12R1.77 COC(=O)c1cccnc1SC 62a_200000210301_100000150852 [0,2,0,0,0,0|1,1,0]=4 2847 B12R1.77 COC(=O)c1cccnc1S[13CH3] 62a_100011587185_200025704644 [0,2,0,0,0,0|1,1,0]=4 2848 B12R1.77 COC(=O)c1cccnc1S[13CH3] 62a_200025704644_100000150852 [0,2,0,0,0,0|1,1,0]=4 2849 B12R1.77 COC(=O)c1ccncc1SC 62a_100010008606_200000210301 [0,2,0,0,0,0|1,1,0]=4 2850 B12R1.77 COC(=O)c1ccncc1SC 62a_200000210301_100010008606 [0,2,0,0,0,0|1,1,0]=4 2851 B12R1.77 COC(=O)c1ccncc1S[13CH3] 62a_100010008606_200025704644 [0,2,0,0,0,0|1,1,0]=4 2852 B12R1.77 COC(=O)c1ccncc1S[13CH3] 62a_200025704644_100010008606 [0,2,0,0,0,0|1,1,0]=4 2853 B12R1.77 COC(=O)c1cnccc1SC 62a_100020629055_200000210301 [0,2,0,0,0,0|1,1,0]=4 2854 B12R1.77 COC(=O)c1cnccc1SC 62a_200000210301_100020629055 [0,2,0,0,0,0|1,1,0]=4 2855 B12R1.77 COC(=O)c1cnccc1S[13CH3] 62a_100020629055_200025704644 [0,2,0,0,0,0|1,1,0]=4 2856 B12R1.77 COC(=O)c1cnccc1S[13CH3] 62a_200025704644_100020629055 [0,2,0,0,0,0|1,1,0]=4 2857 B12R1.77 COC(=O)c1ncccc1OC 34a_100000744052_200000210301 [0,2,0,0,0,0|1,0,0]=3 2858 B12R1.77 COC(=O)c1ncccc1OC 7a_100000744052_200000210301 [0,2,0,0,0,0|1,0,0]=3 2859 B12R1.77 COC(=O)c1ncccc1O[13CH3] 34a_100000744052_200025704644 [0,2,0,0,0,0|1,0,0]=3 2860 B12R1.77 COC(=O)c1ncccc1O[13CH3] 7a_100000744052_200025704644 [0,2,0,0,0,0|1,0,0]=3 2861 B12R1.77 COC(=O)c1ncccc1SC 62a_100011935214_200000210301 [0,2,0,0,0,0|1,1,0]=4 2862 B12R1.77 COC(=O)c1ncccc1SC 62a_200000210301_100011935214 [0,2,0,0,0,0|1,1,0]=4 2863 B12R1.77 COC(=O)c1ncccc1S[13CH3] 62a_100011935214_200025704644 [0,2,0,0,0,0|1,1,0]=4 2864 B12R1.77 COC(=O)c1ncccc1S[13CH3] 62a_200025704644_100011935214 [0,2,0,0,0,0|1,1,0]=4 2865 B12R1.77 COc1ccccc1C(=NO)C 34a_100000164216_200000210301 [0,2,0,0,0,0|1,0,0]=3 2866 B12R1.77 COc1ccccc1C(=O)CBr 7a_100000188908_200000210301 [0,2,0,0,0,0|1,0,0]=3 2867 B12R1.77 COc1ccccc1C(=O)CF 1458a_100000185835_100015361967 [0,2,0,0,0,0|1,0,0]=3 2868 B12R1.77 COc1ccccc1C(=O)NN 34a_100000186518_200000210301 [0,2,0,0,0,0|1,0,0]=3 2869 B12R1.77 COc1ccccc1C(=O)NO 34a_100000188472_200000210301 [0,2,0,0,0,0|0,0,0]=2 2870 B12R1.77 COc1ccccc1C(C)OC 7a_100000742714_200000210301 [0,2,0,0,0,0|1,0,1]=4 2871 B12R1.77 COc1ccccc1C(C)O[13CH3] 7a_100000742714_200025704644 [0,2,0,0,0,0|1,0,1]=4 2872 B12R1.77 CSc1ccccc1C(=O)CF 1458a_100000183967_100015361967 [0,2,0,0,0,0|1,1,0]=4 2873 B12R1.77 CSc1ccccc1C(=O)NN 62a_100000190081_200000210301 [0,2,0,0,0,0|1,1,0]=4 2874 B12R1.77 CSc1ccccc1C(=O)NN 62a_200000210301_100000190081 [0,2,0,0,0,0|1,1,0]=4 2875 B12R1.77 CSc1ccccc1C(=O)O[Na] 62a_200000210301_114855342371 [0,2,0,0,0,0|0,1,0]=3 2876 B12R1.77 N#Cc1ccccc1C(=O)CF 1458a_100000742908_100015361967 [0,2,0,0,0,0|2,0,0]=4 2877 B12R1.77 O=C(CF)c1ccccc1CO 1458a_100011301526_100015361967 [0,2,0,0,0,0|1,0,0]=3 2878 B12R1.77 O=Ic1ccccc1C(=O)CF 1458a_100000032414_100015361967 [0,2,0,0,0,0|1,0,1]=4 2879 B12R1.77 [13CH3]Oc1ccccc1C(=O)CBr 7a_100000188908_200025704644 [0,2,0,0,0,0|1,0,0]=3 2880 B12R1.77 [13CH3]Oc1ccccc1C(=O)NN 34a_100000186518_200025704644 [0,2,0,0,0,0|1,0,0]=3 2881 B12R1.77 [13CH3]Oc1ccccc1C(=O)NO 34a_100000188472_200025704644 [0,2,0,0,0,0|0,0,0]=2 2882 B12R1.77 [13CH3]Sc1ccccc1C(=O)NN 62a_100000190081_200025704644 [0,2,0,0,0,0|1,1,0]=4 2883 B12R1.77 [13CH3]Sc1ccccc1C(=O)NN 62a_200025704644_100000190081 [0,2,0,0,0,0|1,1,0]=4 2884 B12R1.77 [13CH3]Sc1ccccc1C(=O)O[Na] 62a_200025704644_114855342371 [0,2,0,0,0,0|0,1,0]=3 2885 B12R1.87 C=C(C)c1cccc(c1CO)F 271570a_100000694244_100012355691 [0,2,0,0,0,0|2,0,0]=4 2886 B12R1.87 C=C(C)c1cccc(c1CO)N 271570a_100000694244_100000747656 [0,2,0,0,0,0|2,0,0]=4 2887 B12R1.87 C=C(C)c1cccc(c1OC)Br 271570a_100000694244_100010146560 [0,2,0,0,0,0|2,0,0]=4 2888 B12R1.87 C=C(C)c1cccc(c1OC)C 271570a_100000694244_100010141385 [0,2,0,0,0,0|2,0,0]=4 2889 B12R1.87 C=C(C)c1cccc(c1OC)Cl 271570a_100000694244_100010147678 [0,2,0,0,0,0|2,0,0]=4 2890 B12R1.87 C=C(C)c1cccc(c1OC)F 271570a_100000694244_100009816759 [0,2,0,0,0,0|2,0,0]=4 2891 B12R1.87 C=C(C)c1cccc(c1OC)N 271570a_100000694244_100011935253 [0,2,0,0,0,0|2,0,0]=4 2892 B12R1.87 C=C(C)c1cccc(c1OC)O 271570a_100000694244_100010234590 [0,2,0,0,0,0|2,0,0]=4 2893 B12R1.87 C=Cc1c(cccc1C(=O)C)F 271570a_100011290941_100012362612 [0,2,0,0,0,0|2,0,0]=4 2894 B12R1.87 C=Cc1c(cccc1C(=O)N)C 271570a_100011290941_200011409216 [0,2,0,0,0,0|2,0,0]=4 2895 B12R1.87 C=Cc1c(cccc1C(=O)N)F 271570a_100011290941_200012351544 [0,2,0,0,0,0|2,0,0]=4 2896 B12R1.87 CC(=O)c1cccc(c1C#N)F 1458a_100000702252_200000210301 [0,2,0,0,0,0|2,0,0]=4 2897 B12R1.87 CC(=O)c1cccc(c1O[13CH3])C 34a_100009847209_200025704644 [0,2,0,0,0,0|1,0,0]=3 2898 B12R1.87 CC(=O)c1cccc(c1O[13CH3])C 7a_100009847209_200025704644 [0,2,0,0,0,0|1,0,0]=3 2899 B12R1.87 CC(=O)c1cccc(c1O[13CH3])Cl 34a_100000043392_200025704644 [0,2,0,0,0,0|1,0,0]=3 2900 B12R1.87 CC(=O)c1cccc(c1O[13CH3])Cl 7a_100000043392_200025704644 [0,2,0,0,0,0|1,0,0]=3 2901 B12R1.87 CC(=O)c1cccc(c1O[13CH3])F 34a_100011246037_200025704644 [0,2,0,0,0,0|1,0,0]=3 2902 B12R1.87 CC(=O)c1cccc(c1O[13CH3])F 7a_100011246037_200025704644 [0,2,0,0,0,0|1,0,0]=3 2903 B12R1.87 CC(=O)c1cccc(c1S[13CH3])F 62a_100012362612_200025704644 [0,2,0,0,0,0|1,1,0]=4 2904 B12R1.87 CC(=O)c1cccc(c1S[13CH3])F 62a_200025704644_100012362612 [0,2,0,0,0,0|1,1,0]=4 2905 B12R1.87 CCc1c(cccc1C(=O)C)Br 1458a_100010125490_200000210301 [0,2,0,0,0,0|2,0,0]=4 2906 B12R1.87 CCc1c(cccc1C(=O)[13CH3])Br 1458a_100010125490_200025704644 [0,2,0,0,0,0|2,0,0]=4 2907 B12R1.87 CNc1c(cccc1C(=O)N)C 34a_100000223273_200000210301 [0,2,0,0,0,0|2,0,0]=4 2908 B12R1.87 CNc1c(cccc1C(=O)N)Cl 34a_200011997947_200000210301 [0,2,0,0,0,0|2,0,0]=4 2909 B12R1.87 CNc1c(cccc1C(=O)N)F 34a_100011722151_200000210301 [0,2,0,0,0,0|2,0,0]=4 2910 B12R1.87 COc1c(cccc1B(O)O)O 271570a_203496583355_100010078571 [0,2,0,0,0,0|1,0,1]=4 2911 B12R1.87 COc1c(cccc1C(=O)C)Br 1458a_100000689802_200000210301 [0,2,0,0,0,0|1,0,0]=3 2912 B12R1.87 COc1c(cccc1C(=O)C)C 1458a_100000187929_200000210301 [0,2,0,0,0,0|1,0,0]=3 2913 B12R1.87 COc1c(cccc1C(=O)C)C 34a_100009847209_200000210301 [0,2,0,0,0,0|1,0,0]=3 2914 B12R1.87 COc1c(cccc1C(=O)C)C 7a_100009847209_200000210301 [0,2,0,0,0,0|1,0,0]=3 2915 B12R1.87 COc1c(cccc1C(=O)C)Cl 1458a_100011934004_200000210301 [0,2,0,0,0,0|1,0,0]=3 2916 B12R1.87 COc1c(cccc1C(=O)C)Cl 34a_100000043392_200000210301 [0,2,0,0,0,0|1,0,0]=3 2917 B12R1.87 COc1c(cccc1C(=O)C)Cl 7a_100000043392_200000210301 [0,2,0,0,0,0|1,0,0]=3 2918 B12R1.87 COc1c(cccc1C(=O)C)F 1458a_100011218433_200000210301 [0,2,0,0,0,0|1,0,0]=3 2919 B12R1.87 COc1c(cccc1C(=O)C)F 34a_100011246037_200000210301 [0,2,0,0,0,0|1,0,0]=3 2920 B12R1.87 COc1c(cccc1C(=O)C)F 7a_100011246037_200000210301 [0,2,0,0,0,0|1,0,0]=3 2921 B12R1.87 COc1c(cccc1C(=O)C)O 1458a_100000080799_200000210301 [0,2,0,0,0,0|1,0,0]=3 2922 B12R1.87 COc1c(cccc1C(=O)C)O 271570a_203496583355_100010725610 [0,2,0,0,0,0|1,0,0]=3 2923 B12R1.87 COc1c(cccc1C(=O)N)Cl 34a_100009868166_200000210301 [0,2,0,0,0,0|1,0,0]=3 2924 B12R1.87 COc1c(cccc1C(=O)N)Cl 7a_100009868166_200000210301 [0,2,0,0,0,0|1,0,0]=3 2925 B12R1.87 COc1c(cccc1C(=O)N)F 34a_100009886295_200000210301 [0,2,0,0,0,0|1,0,0]=3 2926 B12R1.87 COc1c(cccc1C(=O)N)F 7a_100009886295_200000210301 [0,2,0,0,0,0|1,0,0]=3 2927 B12R1.87 COc1c(cccc1C(=O)N)O 271570a_203496583355_100010146779 [0,2,0,0,0,0|1,0,0]=3 2928 B12R1.87 COc1c(cccc1C(=O)[13CH3])Br 1458a_100000689802_200025704644 [0,2,0,0,0,0|1,0,0]=3 2929 B12R1.87 COc1c(cccc1C(=O)[13CH3])C 1458a_100000187929_200025704644 [0,2,0,0,0,0|1,0,0]=3 2930 B12R1.87 COc1c(cccc1C(=O)[13CH3])Cl 1458a_100011934004_200025704644 [0,2,0,0,0,0|1,0,0]=3 2931 B12R1.87 COc1c(cccc1C(=O)[13CH3])F 1458a_100011218433_200025704644 [0,2,0,0,0,0|1,0,0]=3 2932 B12R1.87 COc1c(cccc1C(=O)[13CH3])O 1458a_100000080799_200025704644 [0,2,0,0,0,0|1,0,0]=3 2933 B12R1.87 COc1c(cccc1[N+](=O)[O-])Br 34a_100000689966_200000210301 [0,2,0,0,0,0|1,0,1]=4 2934 B12R1.87 COc1c(cccc1[N+](=O)[O-])C 34a_100000763257_200000210301 [0,2,0,0,0,0|1,0,1]=4 2935 B12R1.87 COc1c(cccc1[N+](=O)[O-])C 7a_100000763257_200000210301 [0,2,0,0,0,0|1,0,1]=4 2936 B12R1.87 COc1c(cccc1[N+](=O)[O-])Cl 34a_100000686934_200000210301 [0,2,0,0,0,0|1,0,1]=4 2937 B12R1.87 COc1c(cccc1[N+](=O)[O-])Cl 7a_100000686934_200000210301 [0,2,0,0,0,0|1,0,1]=4 2938 B12R1.87 COc1c(cccc1[N+](=O)[O-])F 34a_100000690172_200000210301 [0,2,0,0,0,0|1,0,1]=4 2939 B12R1.87 CSc1c(cccc1C(=O)C)F 62a_100012362612_200000210301 [0,2,0,0,0,0|1,1,0]=4 2940 B12R1.87 CSc1c(cccc1C(=O)C)F 62a_200000210301_100012362612 [0,2,0,0,0,0|1,1,0]=4 2941 B12R1.87 CSc1c(cccc1C(=O)N)C 62a_200000210301_200011409216 [0,2,0,0,0,0|1,1,0]=4 2942 B12R1.87 CSc1c(cccc1C(=O)N)C 62a_200011409216_200000210301 [0,2,0,0,0,0|1,1,0]=4 2943 B12R1.87 CSc1c(cccc1C(=O)N)F 62a_200000210301_200012351544 [0,2,0,0,0,0|1,1,0]=4 2944 B12R1.87 CSc1c(cccc1C(=O)N)F 62a_200012351544_200000210301 [0,2,0,0,0,0|1,1,0]=4 2945 B12R1.87 Cc1cccc(c1N[13CH3])C(=O)N 34a_100000223273_200025704644 [0,2,0,0,0,0|2,0,0]=4 2946 B12R1.87 Cc1cccc(c1O[13CH3])[N+](=O)[O-] 34a_100000763257_200025704644 [0,2,0,0,0,0|1,0,1]=4 2947 B12R1.87 Cc1cccc(c1O[13CH3])[N+](=O)[O-] 7a_100000763257_200025704644 [0,2,0,0,0,0|1,0,1]=4 2948 B12R1.87 Cc1cccc(c1S[13CH3])C(=O)N 62a_200011409216_200025704644 [0,2,0,0,0,0|1,1,0]=4 2949 B12R1.87 Cc1cccc(c1S[13CH3])C(=O)N 62a_200025704644_200011409216 [0,2,0,0,0,0|1,1,0]=4 2950 B12R1.87 [13CH3]C(=O)c1cccc(c1C#N)F 1458a_100000702252_200025704644 [0,2,0,0,0,0|2,0,0]=4 2951 B12R1.87 [13CH3]Nc1c(cccc1C(=O)N)Cl 34a_200011997947_200025704644 [0,2,0,0,0,0|2,0,0]=4 2952 B12R1.87 [13CH3]Nc1c(cccc1C(=O)N)F 34a_100011722151_200025704644 [0,2,0,0,0,0|2,0,0]=4 2953 B12R1.87 [13CH3]Oc1c(cccc1C(=O)N)Cl 34a_100009868166_200025704644 [0,2,0,0,0,0|1,0,0]=3 2954 B12R1.87 [13CH3]Oc1c(cccc1C(=O)N)Cl 7a_100009868166_200025704644 [0,2,0,0,0,0|1,0,0]=3 2955 B12R1.87 [13CH3]Oc1c(cccc1C(=O)N)F 34a_100009886295_200025704644 [0,2,0,0,0,0|1,0,0]=3 2956 B12R1.87 [13CH3]Oc1c(cccc1C(=O)N)F 7a_100009886295_200025704644 [0,2,0,0,0,0|1,0,0]=3 2957 B12R1.87 [13CH3]Oc1c(cccc1[N+](=O)[O-])Br 34a_100000689966_200025704644 [0,2,0,0,0,0|1,0,1]=4 2958 B12R1.87 [13CH3]Oc1c(cccc1[N+](=O)[O-])Cl 34a_100000686934_200025704644 [0,2,0,0,0,0|1,0,1]=4 2959 B12R1.87 [13CH3]Oc1c(cccc1[N+](=O)[O-])Cl 7a_100000686934_200025704644 [0,2,0,0,0,0|1,0,1]=4 2960 B12R1.87 [13CH3]Oc1c(cccc1[N+](=O)[O-])F 34a_100000690172_200025704644 [0,2,0,0,0,0|1,0,1]=4 2961 B12R1.87 [13CH3]Sc1c(cccc1C(=O)N)F 62a_200012351544_200025704644 [0,2,0,0,0,0|1,1,0]=4 2962 B12R1.87 [13CH3]Sc1c(cccc1C(=O)N)F 62a_200025704644_200012351544 [0,2,0,0,0,0|1,1,0]=4 2963 B12R1.261 C=C(C)c1ccccc1B(O)O 271570a_100000694244_100000693059 [0,2,0,0,0,0|2,0,0]=4 2964 B12R1.261 C=C(C)c1ccccc1C(=O)C 271570a_100000694244_100000751169 [0,2,0,0,0,0|2,0,0]=4 2965 B12R1.261 C=C(C)c1ccccc1C(=O)N 271570a_100000694244_100000162227 [0,2,0,0,0,0|2,0,0]=4 2966 B12R1.261 C=C(C)c1ccccc1C(C)O 271570a_100000694244_100000702211 [0,2,0,0,0,0|2,0,0]=4 2967 B12R1.261 CC(=O)c1ccccc1C(C)C 1458a_100011941426_200000210301 [0,2,0,0,0,0|2,0,0]=4 2968 B12R1.261 CC(=O)c1ccccc1C(F)F 1458a_100009872251_200000210301 [0,2,0,0,0,0|2,0,0]=4 2969 B12R1.261 CC(=O)c1ccccc1I(=O)=O 1458a_100000061294_200000210301 [0,2,0,0,0,0|1,0,1]=4 2970 B12R1.261 CC(=O)c1ccccc1N(C)C 1458a_100011218752_200000210301 [0,2,0,0,0,0|2,0,0]=4 2971 B12R1.261 CC(=O)c1ccccc1S(=O)C 1458a_100000204632_200000210301 [0,2,0,0,0,0|1,0,1]=4 2972 B12R1.261 CC(=O)c1ccccc1[N+](=O)[O-] 1458a_100000188706_200000210301 [0,2,0,0,0,0|1,0,1]=4 2973 B12R1.261 CC(C)c1ccccc1C(=O)[13CH3] 1458a_100011941426_200025704644 [0,2,0,0,0,0|2,0,0]=4 2974 B12R1.261 CN(C)c1ccccc1C(=O)N 269982a_100000184419_200000210301 [0,2,0,0,0,0|2,0,0]=4 2975 B12R1.261 CN(C)c1ccccc1C(=O)[13CH3] 1458a_100011218752_200025704644 [0,2,0,0,0,0|2,0,0]=4 2976 B12R1.261 CN([13CH3])c1ccccc1C(=O)N 269982a_100000184419_200025704644 [0,2,0,0,0,0|2,0,0]=4 2977 B12R1.261 CS(=O)c1ccccc1C(=O)[13CH3] 1458a_100000204632_200025704644 [0,2,0,0,0,0|1,0,1]=4 2978 B12R1.261 [13CH3]C(=O)c1ccccc1C(F)F 1458a_100009872251_200025704644 [0,2,0,0,0,0|2,0,0]=4 2979 B12R1.261 [13CH3]C(=O)c1ccccc1I(=O)=O 1458a_100000061294_200025704644 [0,2,0,0,0,0|1,0,1]=4 2980 B12R1.261 [13CH3]C(=O)c1ccccc1[N+](=O)[O-] 1458a_100000188706_200025704644 [0,2,0,0,0,0|1,0,1]=4 2981 B12R1.283 C=C(C)c1ccccc1CCO 271570a_100000694244_100000731337 [0,2,0,0,0,0|2,0,0]=4 2982 B12R1.283 C=C(C)c1ccccc1COC 271570a_100000694244_100011493684 [0,2,0,0,0,0|2,0,0]=4 2983 B12R1.283 C=C(C)c1ccccc1OCC 271570a_100000694244_100000230754 [0,2,0,0,0,0|2,0,0]=4 2984 B12R1.283 C=C=Cc1ccccc1C(=O)C 271570a_100015277604_100000751169 [0,2,0,0,0,0|2,0,0]=4 2985 B12R1.283 C=C=Cc1ccccc1C(=O)N 271570a_100015277604_100000162227 [0,2,0,0,0,0|2,0,0]=4 2986 B12R1.283 CC(=O)c1ccccc1CC#N 1458a_100000010604_200000210301 [0,2,0,0,0,0|2,0,0]=4 2987 B12R1.283 CC(=O)c1ccccc1N=[N+]=[N-] 1458a_100009827904_200000210301 [0,2,0,0,0,0|2,0,0]=4 2988 B12R1.283 CC(=O)c1ccccc1SCF 62a_100000751169_100015361967 [0,2,0,0,0,0|1,1,0]=4 2989 B12R1.283 CC(=O)c1ccncc1OCF 7a_100009872882_100015361967 [0,2,0,0,0,0|2,0,0]=4 2990 B12R1.283 CC(=O)c1ncccc1OCF 34a_100000087166_100015361967 [0,2,0,0,0,0|2,0,0]=4 2991 B12R1.283 CC(=O)c1ncccc1OCF 7a_100000087166_100015361967 [0,2,0,0,0,0|2,0,0]=4 2992 B12R1.283 CC(O)c1ccccc1OCF 34a_200011232679_100015361967 [0,2,0,0,0,0|1,0,1]=4 2993 B12R1.283 CC(O)c1ccccc1OCF 7a_200011232679_100015361967 [0,2,0,0,0,0|1,0,1]=4 2994 B12R1.283 CC=Cc1ccccc1C(=O)C 271570a_100016259895_100000751169 [0,2,0,0,0,0|2,0,0]=4 2995 B12R1.283 CC=Cc1ccccc1C(=O)N 271570a_100016259895_100000162227 [0,2,0,0,0,0|2,0,0]=4 2996 B12R1.283 CCNc1ccccc1C(=O)N 34a_100000185089_100000210202 [0,2,0,0,0,0|2,0,0]=4 2997 B12R1.283 CCOc1ccccc1C(=O)C 1458a_100000211144_200000210301 [0,2,0,0,0,0|1,0,0]=3 2998 B12R1.283 CCOc1ccccc1C(=O)N 34a_100000192804_100000210202 [0,2,0,0,0,0|1,0,0]=3 2999 B12R1.283 CCOc1ccccc1C(=O)N 7a_100000192804_100000210202 [0,2,0,0,0,0|1,0,0]=3 3000 B12R1.283 CCOc1ccccc1C(=O)[13CH3] 1458a_100000211144_200025704644 [0,2,0,0,0,0|1,0,0]=3 3001 B12R1.283 CCOc1ccccc1C(=O)[O-] 7a_100015234032_100000210202 [0,2,0,0,0,0|0,0,1]=3 3002 B12R1.283 CCOc1ccccc1C(=S)N 7a_100000745089_100000210202 [0,2,0,0,0,0|1,1,0]=4 3003 B12R1.283 CCOc1ccccc1C(C)O 34a_200011232679_100000210202 [0,2,0,0,0,0|1,0,1]=4 3004 B12R1.283 CCOc1ccccc1C(C)O 7a_200011232679_100000210202 [0,2,0,0,0,0|1,0,1]=4 3005 B12R1.283 CCOc1ccccc1[N+](=O)[O-] 34a_100000186319_100000210202 [0,2,0,0,0,0|1,0,1]=4 3006 B12R1.283 CCOc1ccccc1[N+](=O)[O-] 7a_100000186319_100000210202 [0,2,0,0,0,0|1,0,1]=4 3007 B12R1.283 CCOc1cccnc1C(=O)C 34a_100000087166_100000210202 [0,2,0,0,0,0|2,0,0]=4 3008 B12R1.283 CCOc1cccnc1C(=O)C 7a_100000087166_100000210202 [0,2,0,0,0,0|2,0,0]=4 3009 B12R1.283 CCOc1cccnc1C(=O)N 34a_200011215183_100000210202 [0,2,0,0,0,0|2,0,0]=4 3010 B12R1.283 CCOc1cccnc1C(=O)N 7a_200011215183_100000210202 [0,2,0,0,0,0|2,0,0]=4 3011 B12R1.283 CCOc1ccncc1C(=O)N 34a_200011998761_100000210202 [0,2,0,0,0,0|2,0,0]=4 3012 B12R1.283 CCOc1cnccc1C(=O)C 7a_100009872882_100000210202 [0,2,0,0,0,0|2,0,0]=4 3013 B12R1.283 CCOc1cnccc1C(=O)N 7a_100012022987_100000210202 [0,2,0,0,0,0|2,0,0]=4 3014 B12R1.283 CCSc1ccccc1C(=O)C 1458a_100000195471_200000210301 [0,2,0,0,0,0|1,1,0]=4 3015 B12R1.283 CCSc1ccccc1C(=O)C 62a_100000751169_100000210202 [0,2,0,0,0,0|1,1,0]=4 3016 B12R1.283 CCSc1ccccc1C(=O)N 62a_100000162227_100000210202 [0,2,0,0,0,0|1,1,0]=4 3017 B12R1.283 CCSc1ccccc1C(=O)N 62a_100000210202_100000162227 [0,2,0,0,0,0|1,1,0]=4 3018 B12R1.283 CCSc1ccccc1C(=O)O 62a_100000210202_100000734275 [0,2,0,0,0,0|0,1,0]=3 3019 B12R1.283 CCSc1ccccc1C(=O)O 62a_202125556159_100000210202 [0,2,0,0,0,0|0,1,0]=3 3020 B12R1.283 CCSc1ccccc1C(=O)[13CH3] 1458a_100000195471_200025704644 [0,2,0,0,0,0|1,1,0]=4 3021 B12R1.283 CNCc1ccccc1C(=O)O 269956a_100015183376_200000210301 [0,2,0,0,0,0|1,0,0]=3 3022 B12R1.283 COCc1ccccc1B(O)O 34a_100138415774_100009814197 [0,2,0,0,0,0|1,0,1]=4 3023 B12R1.283 COCc1ccccc1C(=O)C 1458a_100000737999_200000210301 [0,2,0,0,0,0|1,0,0]=3 3024 B12R1.283 COCc1ccccc1C(=O)[13CH3] 1458a_100000737999_200025704644 [0,2,0,0,0,0|1,0,0]=3 3025 B12R1.283 COCc1ccccc1[N+](=O)[O-] 34a_100138415774_100000181388 [0,2,0,0,0,0|1,0,1]=4 3026 B12R1.283 COCc1ccccc1[N+](=O)[O-] 7a_100011218404_200000210301 [0,2,0,0,0,0|1,0,1]=4 3027 B12R1.283 NC(=O)c1ccccc1NCF 34a_100000185089_100015361967 [0,2,0,0,0,0|2,0,0]=4 3028 B12R1.283 NC(=O)c1ccccc1OCF 34a_100000192804_100015361967 [0,2,0,0,0,0|1,0,0]=3 3029 B12R1.283 NC(=O)c1ccccc1OCF 7a_100000192804_100015361967 [0,2,0,0,0,0|1,0,0]=3 3030 B12R1.283 NC(=O)c1ccccc1SCF 62a_100000162227_100015361967 [0,2,0,0,0,0|1,1,0]=4 3031 B12R1.283 NC(=O)c1ccccc1SCF 62a_100015361967_100000162227 [0,2,0,0,0,0|1,1,0]=4 3032 B12R1.283 NC(=O)c1ccncc1OCF 7a_100012022987_100015361967 [0,2,0,0,0,0|2,0,0]=4 3033 B12R1.283 NC(=O)c1cnccc1OCF 34a_200011998761_100015361967 [0,2,0,0,0,0|2,0,0]=4 3034 B12R1.283 NC(=O)c1ncccc1OCF 34a_200011215183_100015361967 [0,2,0,0,0,0|2,0,0]=4 3035 B12R1.283 NC(=O)c1ncccc1OCF 7a_200011215183_100015361967 [0,2,0,0,0,0|2,0,0]=4 3036 B12R1.283 NC(=S)c1ccccc1OCF 7a_100000745089_100015361967 [0,2,0,0,0,0|1,1,0]=4 3037 B12R1.283 O=C(O)c1ccccc1SCF 62a_100015361967_100000734275 [0,2,0,0,0,0|0,1,0]=3 3038 B12R1.283 O=C(O)c1ccccc1SCF 62a_202125556159_100015361967 [0,2,0,0,0,0|0,1,0]=3 3039 B12R1.283 O=C([O-])c1ccccc1OCF 7a_100015234032_100015361967 [0,2,0,0,0,0|0,0,1]=3 3040 B12R1.283 O=[N+]([O-])c1ccccc1OCF 34a_100000186319_100015361967 [0,2,0,0,0,0|1,0,1]=4 3041 B12R1.283 O=[N+]([O-])c1ccccc1OCF 7a_100000186319_100015361967 [0,2,0,0,0,0|1,0,1]=4 3042 B12R1.283 [13CH3]C(=O)c1ccccc1CC#N 1458a_100000010604_200025704644 [0,2,0,0,0,0|2,0,0]=4 3043 B12R1.283 [13CH3]C(=O)c1ccccc1N=[N+]=[N-] 1458a_100009827904_200025704644 [0,2,0,0,0,0|2,0,0]=4 3044 B12R1.283 [13CH3]NCc1ccccc1C(=O)O 269956a_100015183376_200025704644 [0,2,0,0,0,0|1,0,0]=3 3045 B12R1.283 [13CH3]OCc1ccccc1[N+](=O)[O-] 7a_100011218404_200025704644 [0,2,0,0,0,0|1,0,1]=4 3046 B12R1.437 C=C(C)c1c(cccc1C#N)O 271570a_100000694244_100009818990 [0,2,0,0,0,0|2,0,0]=4 3047 B12R1.437 C=C(C)c1c(cccc1C=O)O 271570a_100000694244_100009816417 [0,2,0,0,0,0|2,0,0]=4 3048 B12R1.437 C=C(C)c1c(cccc1CO)Br 271570a_100000694244_100010146604 [0,2,0,0,0,0|2,0,0]=4 3049 B12R1.437 C=C(C)c1c(cccc1CO)C 271570a_100000694244_100011659289 [0,2,0,0,0,0|2,0,0]=4 3050 B12R1.437 C=C(C)c1c(cccc1CO)F 271570a_100000694244_100000692438 [0,2,0,0,0,0|2,0,0]=4 3051 B12R1.437 C=C(C)c1c(cccc1OC)Br 271570a_100000694244_100010131421 [0,2,0,0,0,0|2,0,0]=4 3052 B12R1.437 C=C(C)c1c(cccc1OC)F 271570a_100000694244_100000041735 [0,2,0,0,0,0|2,0,0]=4 3053 B12R1.437 C=C(C)c1c(cccc1OC)N 271570a_100000694244_100000703447 [0,2,0,0,0,0|2,0,0]=4 3054 B12R1.437 C=C(C)c1c(cccc1OC)O 271570a_100000694244_100010202623 [0,2,0,0,0,0|2,0,0]=4 3055 B12R1.437 C=Cc1cccc(c1C(=O)C)F 271570a_100011290941_100012351873 [0,2,0,0,0,0|2,0,0]=4 3056 B12R1.437 C=Cc1cccc(c1C(=O)C)O 271570a_100011290941_100010174959 [0,2,0,0,0,0|1,0,0]=3 3057 B12R1.437 C=Cc1cccc(c1C(=O)N)Cl 271570a_100011290941_100010147686 [0,2,0,0,0,0|2,0,0]=4 3058 B12R1.437 C=Cc1cccc(c1C(=O)N)F 271570a_100011290941_100011219063 [0,2,0,0,0,0|2,0,0]=4 3059 B12R1.437 CC(=O)c1c(cccc1C#N)Br 1458a_200010145881_200000210301 [0,2,0,0,0,0|2,0,0]=4 3060 B12R1.437 CC(=O)c1c(cccc1O[13CH3])Br 34a_100010174959_200025704644 [0,2,0,0,0,0|1,0,0]=3 3061 B12R1.437 CC(=O)c1c(cccc1O[13CH3])Br 7a_100010174959_200025704644 [0,2,0,0,0,0|1,0,0]=3 3062 B12R1.437 CC(=O)c1c(cccc1O[13CH3])C 34a_100009860897_200025704644 [0,2,0,0,0,0|1,0,0]=3 3063 B12R1.437 CC(=O)c1c(cccc1O[13CH3])C 7a_100009860897_200025704644 [0,2,0,0,0,0|1,0,0]=3 3064 B12R1.437 CC(=O)c1c(cccc1O[13CH3])Cl 34a_100000730630_200025704644 [0,2,0,0,0,0|1,0,0]=3 3065 B12R1.437 CC(=O)c1c(cccc1O[13CH3])Cl 7a_100000730630_200025704644 [0,2,0,0,0,0|1,0,0]=3 3066 B12R1.437 CC(=O)c1c(cccc1O[13CH3])F 34a_100011216272_200025704644 [0,2,0,0,0,0|1,0,0]=3 3067 B12R1.437 CC(=O)c1c(cccc1O[13CH3])F 7a_100011216272_200025704644 [0,2,0,0,0,0|1,0,0]=3 3068 B12R1.437 CC(=O)c1c(cccc1S[13CH3])F 62a_100012351873_200025704644 [0,2,0,0,0,0|1,1,0]=4 3069 B12R1.437 CNc1cccc(c1C(=O)N)C 34a_100102558177_200000210301 [0,2,0,0,0,0|2,0,0]=4 3070 B12R1.437 CNc1cccc(c1C(=O)N)C 7a_100102558177_200000210301 [0,2,0,0,0,0|2,0,0]=4 3071 B12R1.437 CNc1cccc(c1C(=O)N)Cl 34a_100000764435_200000210301 [0,2,0,0,0,0|2,0,0]=4 3072 B12R1.437 CNc1cccc(c1C(=O)N)Cl 7a_100000764435_200000210301 [0,2,0,0,0,0|2,0,0]=4 3073 B12R1.437 CNc1cccc(c1C(=O)N)F 27a_100102657272_100011219063 [0,2,0,0,0,0|2,0,0]=4 3074 B12R1.437 CNc1cccc(c1C(=O)N)F 34a_100000036109_200000210301 [0,2,0,0,0,0|2,0,0]=4 3075 B12R1.437 CNc1cccc(c1C(=O)N)F 7a_100000036109_200000210301 [0,2,0,0,0,0|2,0,0]=4 3076 B12R1.437 COc1cccc(c1C(=O)C)Br 1458a_100011593405_200000210301 [0,2,0,0,0,0|1,0,0]=3 3077 B12R1.437 COc1cccc(c1C(=O)C)Br 34a_100010174959_200000210301 [0,2,0,0,0,0|1,0,0]=3 3078 B12R1.437 COc1cccc(c1C(=O)C)Br 7a_100010174959_200000210301 [0,2,0,0,0,0|1,0,0]=3 3079 B12R1.437 COc1cccc(c1C(=O)C)C 1458a_100000066212_200000210301 [0,2,0,0,0,0|1,0,0]=3 3080 B12R1.437 COc1cccc(c1C(=O)C)C 34a_100009860897_200000210301 [0,2,0,0,0,0|1,0,0]=3 3081 B12R1.437 COc1cccc(c1C(=O)C)C 7a_100009860897_200000210301 [0,2,0,0,0,0|1,0,0]=3 3082 B12R1.437 COc1cccc(c1C(=O)C)Cl 1458a_100000743539_200000210301 [0,2,0,0,0,0|1,0,0]=3 3083 B12R1.437 COc1cccc(c1C(=O)C)Cl 34a_100000730630_200000210301 [0,2,0,0,0,0|1,0,0]=3 3084 B12R1.437 COc1cccc(c1C(=O)C)Cl 7a_100000730630_200000210301 [0,2,0,0,0,0|1,0,0]=3 3085 B12R1.437 COc1cccc(c1C(=O)C)F 1458a_100000759380_200000210301 [0,2,0,0,0,0|1,0,0]=3 3086 B12R1.437 COc1cccc(c1C(=O)C)F 34a_100011216272_200000210301 [0,2,0,0,0,0|1,0,0]=3 3087 B12R1.437 COc1cccc(c1C(=O)C)F 7a_100011216272_200000210301 [0,2,0,0,0,0|1,0,0]=3 3088 B12R1.437 COc1cccc(c1C(=O)C)I 1458a_100010179659_200000210301 [0,2,0,0,0,0|1,0,0]=3 3089 B12R1.437 COc1cccc(c1C(=O)C)O 1458a_100000043310_200000210301 [0,2,0,0,0,0|1,0,0]=3 3090 B12R1.437 COc1cccc(c1C(=O)C)O 271570a_203496583355_100010725609 [0,2,0,0,0,0|1,0,0]=3 3091 B12R1.437 COc1cccc(c1C(=O)N)F 34a_100000701607_200000210301 [0,2,0,0,0,0|1,0,0]=3 3092 B12R1.437 COc1cccc(c1C(=O)N)F 7a_100000701607_200000210301 [0,2,0,0,0,0|1,0,0]=3 3093 B12R1.437 COc1cccc(c1C(=O)N)O 271570a_203496583355_200010146778 [0,2,0,0,0,0|1,0,0]=3 3094 B12R1.437 COc1cccc(c1C(=O)[13CH3])Br 1458a_100011593405_200025704644 [0,2,0,0,0,0|1,0,0]=3 3095 B12R1.437 COc1cccc(c1C(=O)[13CH3])C 1458a_100000066212_200025704644 [0,2,0,0,0,0|1,0,0]=3 3096 B12R1.437 COc1cccc(c1C(=O)[13CH3])Cl 1458a_100000743539_200025704644 [0,2,0,0,0,0|1,0,0]=3 3097 B12R1.437 COc1cccc(c1C(=O)[13CH3])F 1458a_100000759380_200025704644 [0,2,0,0,0,0|1,0,0]=3 3098 B12R1.437 COc1cccc(c1C(=O)[13CH3])I 1458a_100010179659_200025704644 [0,2,0,0,0,0|1,0,0]=3 3099 B12R1.437 COc1cccc(c1C(=O)[13CH3])O 1458a_100000043310_200025704644 [0,2,0,0,0,0|1,0,0]=3 3100 B12R1.437 COc1cccc(c1[N+](=O)[O-])Br 34a_100011934925_200000210301 [0,2,0,0,0,0|1,0,1]=4 3101 B12R1.437 COc1cccc(c1[N+](=O)[O-])Br 7a_100011934925_200000210301 [0,2,0,0,0,0|1,0,1]=4 3102 B12R1.437 COc1cccc(c1[N+](=O)[O-])C 34a_100000740142_200000210301 [0,2,0,0,0,0|1,0,1]=4 3103 B12R1.437 COc1cccc(c1[N+](=O)[O-])C 7a_100000740142_200000210301 [0,2,0,0,0,0|1,0,1]=4 3104 B12R1.437 COc1cccc(c1[N+](=O)[O-])Cl 34a_100011999376_200000210301 [0,2,0,0,0,0|1,0,1]=4 3105 B12R1.437 COc1cccc(c1[N+](=O)[O-])Cl 7a_100011999376_200000210301 [0,2,0,0,0,0|1,0,1]=4 3106 B12R1.437 COc1cccc(c1[N+](=O)[O-])F 34a_100011217962_200000210301 [0,2,0,0,0,0|1,0,1]=4 3107 B12R1.437 COc1cccc(c1[N+](=O)[O-])F 7a_100011217962_200000210301 [0,2,0,0,0,0|1,0,1]=4 3108 B12R1.437 COc1cccc(c1[N+](=O)[O-])I 7a_100010150324_200000210301 [0,2,0,0,0,0|1,0,1]=4 3109 B12R1.437 CSc1cccc(c1C(=O)C)F 62a_100012351873_200000210301 [0,2,0,0,0,0|1,1,0]=4 3110 B12R1.437 CSc1cccc(c1C(=O)N)Cl 62a_100010147686_200000210301 [0,2,0,0,0,0|1,1,0]=4 3111 B12R1.437 CSc1cccc(c1C(=O)N)F 62a_100011219063_200000210301 [0,2,0,0,0,0|1,1,0]=4 3112 B12R1.437 Cc1cccc(c1C(=O)N)N[13CH3] 34a_100102558177_200025704644 [0,2,0,0,0,0|2,0,0]=4 3113 B12R1.437 Cc1cccc(c1C(=O)N)N[13CH3] 7a_100102558177_200025704644 [0,2,0,0,0,0|2,0,0]=4 3114 B12R1.437 Cc1cccc(c1[N+](=O)[O-])O[13CH3] 34a_100000740142_200025704644 [0,2,0,0,0,0|1,0,1]=4 3115 B12R1.437 Cc1cccc(c1[N+](=O)[O-])O[13CH3] 7a_100000740142_200025704644 [0,2,0,0,0,0|1,0,1]=4 3116 B12R1.437 [13CH3]C(=O)c1c(cccc1C#N)Br 1458a_200010145881_200025704644 [0,2,0,0,0,0|2,0,0]=4 3117 B12R1.437 [13CH3]Nc1cccc(c1C(=O)N)Cl 34a_100000764435_200025704644 [0,2,0,0,0,0|2,0,0]=4 3118 B12R1.437 [13CH3]Nc1cccc(c1C(=O)N)Cl 7a_100000764435_200025704644 [0,2,0,0,0,0|2,0,0]=4 3119 B12R1.437 [13CH3]Nc1cccc(c1C(=O)N)F 34a_100000036109_200025704644 [0,2,0,0,0,0|2,0,0]=4 3120 B12R1.437 [13CH3]Nc1cccc(c1C(=O)N)F 7a_100000036109_200025704644 [0,2,0,0,0,0|2,0,0]=4 3121 B12R1.437 [13CH3]Oc1cccc(c1C(=O)N)F 34a_100000701607_200025704644 [0,2,0,0,0,0|1,0,0]=3 3122 B12R1.437 [13CH3]Oc1cccc(c1C(=O)N)F 7a_100000701607_200025704644 [0,2,0,0,0,0|1,0,0]=3 3123 B12R1.437 [13CH3]Oc1cccc(c1[N+](=O)[O-])Br 34a_100011934925_200025704644 [0,2,0,0,0,0|1,0,1]=4 3124 B12R1.437 [13CH3]Oc1cccc(c1[N+](=O)[O-])Br 7a_100011934925_200025704644 [0,2,0,0,0,0|1,0,1]=4 3125 B12R1.437 [13CH3]Oc1cccc(c1[N+](=O)[O-])Cl 34a_100011999376_200025704644 [0,2,0,0,0,0|1,0,1]=4 3126 B12R1.437 [13CH3]Oc1cccc(c1[N+](=O)[O-])Cl 7a_100011999376_200025704644 [0,2,0,0,0,0|1,0,1]=4 3127 B12R1.437 [13CH3]Oc1cccc(c1[N+](=O)[O-])F 34a_100011217962_200025704644 [0,2,0,0,0,0|1,0,1]=4 3128 B12R1.437 [13CH3]Oc1cccc(c1[N+](=O)[O-])F 7a_100011217962_200025704644 [0,2,0,0,0,0|1,0,1]=4 3129 B12R1.437 [13CH3]Oc1cccc(c1[N+](=O)[O-])I 7a_100010150324_200025704644 [0,2,0,0,0,0|1,0,1]=4 3130 B12R1.437 [13CH3]Sc1cccc(c1C(=O)N)Cl 62a_100010147686_200025704644 [0,2,0,0,0,0|1,1,0]=4 3131 B12R1.437 [13CH3]Sc1cccc(c1C(=O)N)F 62a_100011219063_200025704644 [0,2,0,0,0,0|1,1,0]=4 3132 B12R1.126 CS(=O)(=O)c1ccc(cc1O)F 271570a_203496583355_100010175559 [0,2,0,0,0,0|1,0,1]=4 3133 B12R1.126 NS(=O)(=O)c1ccc(cc1O)F 271570a_203496583355_100011218482 [0,2,0,0,0,0|1,0,1]=4 3134 B12R1.128 CS(=O)(=O)c1cc(ccc1O)O 271570a_203496583355_200015712519 [0,2,0,0,0,0|1,0,1]=4 3135 B12R1.128 NS(=O)(=O)c1cc(ccc1O)F 271570a_203496583355_200011831050 [0,2,0,0,0,0|1,0,1]=4 3136 B12R1.195 CNS(=O)(=O)c1ccccc1O 271570a_203496583355_200000165157 [0,2,0,0,0,0|1,0,1]=4 3137 B12R1.195 NNS(=O)(=O)c1ccccc1O 271570a_203496583355_200011248379 [0,2,0,0,0,0|1,0,1]=4 3138 B12R1.228 Cc1cccc(c1O)S(=O)(=O)N 271570a_203496583355_200012348303 [0,2,0,0,0,0|1,0,1]=4 3139 B12R1.894 C=C(C)c1c(ccc(c1O)F)C 271570a_100000694244_200010223207 [0,2,0,0,0,0|2,0,0]=4 3140 B12R1.894 C=C(C)c1c(ccc(c1O)F)F 271570a_100000694244_100010170822 [0,2,0,0,0,0|2,0,0]=4 3141 B12R1.894 CC(=O)c1c(ccc(c1Br)C)F 1458a_100000720849_200000210301 [0,2,0,0,0,0|2,0,0]=4 3142 B12R1.894 CC(=O)c1c(ccc(c1Br)F)F 1458a_100010245744_200000210301 [0,2,0,0,0,0|2,0,0]=4 3143 B12R1.894 CC(=O)c1c(ccc(c1C)Br)C 1458a_100012355652_200000210301 [0,2,0,0,0,0|2,0,0]=4 3144 B12R1.894 CC(=O)c1c(ccc(c1C)Br)F 1458a_100010768519_200000210301 [0,2,0,0,0,0|2,0,0]=4 3145 B12R1.894 CC(=O)c1c(ccc(c1C)F)Br 1458a_100010768524_200000210301 [0,2,0,0,0,0|2,0,0]=4 3146 B12R1.894 CC(=O)c1c(ccc(c1Cl)Br)Cl 1458a_100012350121_200000210301 [0,2,0,0,0,0|2,0,0]=4 3147 B12R1.894 CC(=O)c1c(ccc(c1Cl)Br)F 1458a_100010245877_200000210301 [0,2,0,0,0,0|2,0,0]=4 3148 B12R1.894 CC(=O)c1c(ccc(c1Cl)C)Br 1458a_200010769262_200000210301 [0,2,0,0,0,0|2,0,0]=4 3149 B12R1.894 CC(=O)c1c(ccc(c1Cl)C)F 1458a_100000036856_200000210301 [0,2,0,0,0,0|2,0,0]=4 3150 B12R1.894 CC(=O)c1c(ccc(c1Cl)Cl)Cl 1458a_100000182695_200000210301 [0,2,0,0,0,0|2,0,0]=4 3151 B12R1.894 CC(=O)c1c(ccc(c1Cl)Cl)F 1458a_100000061834_200000210301 [0,2,0,0,0,0|2,0,0]=4 3152 B12R1.894 CC(=O)c1c(ccc(c1Cl)F)Cl 1458a_100000068355_200000210301 [0,2,0,0,0,0|2,0,0]=4 3153 B12R1.894 CC(=O)c1c(ccc(c1Cl)F)F 1458a_100000043044_200000210301 [0,2,0,0,0,0|2,0,0]=4 3154 B12R1.894 CC(=O)c1c(ccc(c1F)Br)Br 1458a_100010233042_200000210301 [0,2,0,0,0,0|2,0,0]=4 3155 B12R1.894 CC(=O)c1c(ccc(c1F)Br)Cl 1458a_100010235752_200000210301 [0,2,0,0,0,0|2,0,0]=4 3156 B12R1.894 CC(=O)c1c(ccc(c1F)Br)F 1458a_100000721511_200000210301 [0,2,0,0,0,0|2,0,0]=4 3157 B12R1.894 CC(=O)c1c(ccc(c1F)C)Br 1458a_100010271678_200000210301 [0,2,0,0,0,0|2,0,0]=4 3158 B12R1.894 CC(=O)c1c(ccc(c1F)C)Cl 1458a_100000039063_200000210301 [0,2,0,0,0,0|2,0,0]=4 3159 B12R1.894 CC(=O)c1c(ccc(c1F)C)F 1458a_100000692215_200000210301 [0,2,0,0,0,0|2,0,0]=4 3160 B12R1.894 CC(=O)c1c(ccc(c1F)Cl)Br 1458a_100010769261_200000210301 [0,2,0,0,0,0|2,0,0]=4 3161 B12R1.894 CC(=O)c1c(ccc(c1F)Cl)Cl 1458a_100000061686_200000210301 [0,2,0,0,0,0|2,0,0]=4 3162 B12R1.894 CC(=O)c1c(ccc(c1F)Cl)F 1458a_100011219569_200000210301 [0,2,0,0,0,0|2,0,0]=4 3163 B12R1.894 CC(=O)c1c(ccc(c1F)F)Br 1458a_100010177765_200000210301 [0,2,0,0,0,0|2,0,0]=4 3164 B12R1.894 CC(=O)c1c(ccc(c1F)F)Cl 1458a_100011998153_200000210301 [0,2,0,0,0,0|2,0,0]=4 3165 B12R1.894 CC(=O)c1c(ccc(c1F)F)F 1458a_100000031524_200000210301 [0,2,0,0,0,0|2,0,0]=4 3166 B12R1.894 CC(=O)c1c(ccc(c1F)F)I 1458a_100010177766_200000210301 [0,2,0,0,0,0|2,0,0]=4 3167 B12R1.894 CC(=O)c1c(ccc(c1F)F)O 1458a_100000062415_200000210301 [0,2,0,0,0,0|1,0,0]=3 3168 B12R1.894 CC(=O)c1c(ccc(c1F)I)Br 1458a_100010782274_200000210301 [0,2,0,0,0,0|2,0,0]=4 3169 B12R1.894 CC(=O)c1c(ccc(c1F)I)Cl 1458a_100021583479_200000210301 [0,2,0,0,0,0|2,0,0]=4 3170 B12R1.894 CC(=O)c1c(ccc(c1F)I)F 1458a_100012359589_200000210301 [0,2,0,0,0,0|2,0,0]=4 3171 B12R1.894 CC(=O)c1c(ccc(c1F)O)F 1458a_100000068660_200000210301 [0,2,0,0,0,0|2,0,0]=4 3172 B12R1.894 CC(=O)c1c(ccc(c1O)Br)O 1458a_100010008628_200000210301 [0,2,0,0,0,0|1,0,0]=3 3173 B12R1.894 CC(=O)c1c(ccc(c1O)C)C 1458a_100011255215_200000210301 [0,2,0,0,0,0|1,0,0]=3 3174 B12R1.894 CC(=O)c1c(ccc(c1O)Cl)Cl 1458a_100011255222_200000210301 [0,2,0,0,0,0|1,0,0]=3 3175 B12R1.894 CC(=O)c1c(ccc(c1O)Cl)O 1458a_100000080727_200000210301 [0,2,0,0,0,0|1,0,0]=3 3176 B12R1.894 CC(=O)c1c(ccc(c1O)F)F 1458a_100011830443_200000210301 [0,2,0,0,0,0|1,0,0]=3 3177 B12R1.894 Cc1c(ccc(c1C(=O)[13CH3])Br)F 1458a_100010768524_200025704644 [0,2,0,0,0,0|2,0,0]=4 3178 B12R1.894 Cc1c(ccc(c1C(=O)[13CH3])F)Br 1458a_100010768519_200025704644 [0,2,0,0,0,0|2,0,0]=4 3179 B12R1.894 Cc1ccc(c(c1Br)C(=O)[13CH3])F 1458a_100000720849_200025704644 [0,2,0,0,0,0|2,0,0]=4 3180 B12R1.894 Cc1ccc(c(c1C(=O)[13CH3])C)Br 1458a_100012355652_200025704644 [0,2,0,0,0,0|2,0,0]=4 3181 B12R1.894 Cc1ccc(c(c1Cl)C(=O)[13CH3])Br 1458a_200010769262_200025704644 [0,2,0,0,0,0|2,0,0]=4 3182 B12R1.894 Cc1ccc(c(c1Cl)C(=O)[13CH3])F 1458a_100000036856_200025704644 [0,2,0,0,0,0|2,0,0]=4 3183 B12R1.894 Cc1ccc(c(c1F)B(O)O)O 271570a_203496583355_100009814727 [0,2,0,0,0,0|1,0,1]=4 3184 B12R1.894 Cc1ccc(c(c1F)C(=O)[13CH3])Br 1458a_100010271678_200025704644 [0,2,0,0,0,0|2,0,0]=4 3185 B12R1.894 Cc1ccc(c(c1F)C(=O)[13CH3])Cl 1458a_100000039063_200025704644 [0,2,0,0,0,0|2,0,0]=4 3186 B12R1.894 Cc1ccc(c(c1F)C(=O)[13CH3])F 1458a_100000692215_200025704644 [0,2,0,0,0,0|2,0,0]=4 3187 B12R1.894 Cc1ccc(c(c1O)C(=O)[13CH3])C 1458a_100011255215_200025704644 [0,2,0,0,0,0|1,0,0]=3 3188 B12R1.894 OB(O)c1c(ccc(c1F)F)O 271570a_203496583355_200009814748 [0,2,0,0,0,0|1,0,1]=4 3189 B12R1.894 OB(O)c1c(ccc(c1F)O)O 271570a_203496583355_200010254889 [0,2,0,0,0,0|1,0,1]=4 3190 B12R1.894 [13CH3]C(=O)c1c(ccc(c1Br)F)F 1458a_100010245744_200025704644 [0,2,0,0,0,0|2,0,0]=4 3191 B12R1.894 [13CH3]C(=O)c1c(ccc(c1Cl)Br)Cl 1458a_100012350121_200025704644 [0,2,0,0,0,0|2,0,0]=4 3192 B12R1.894 [13CH3]C(=O)c1c(ccc(c1Cl)Br)F 1458a_100010245877_200025704644 [0,2,0,0,0,0|2,0,0]=4 3193 B12R1.894 [13CH3]C(=O)c1c(ccc(c1Cl)Cl)Cl 1458a_100000182695_200025704644 [0,2,0,0,0,0|2,0,0]=4 3194 B12R1.894 [13CH3]C(=O)c1c(ccc(c1Cl)Cl)F 1458a_100000061834_200025704644 [0,2,0,0,0,0|2,0,0]=4 3195 B12R1.894 [13CH3]C(=O)c1c(ccc(c1Cl)F)Cl 1458a_100000068355_200025704644 [0,2,0,0,0,0|2,0,0]=4 3196 B12R1.894 [13CH3]C(=O)c1c(ccc(c1Cl)F)F 1458a_100000043044_200025704644 [0,2,0,0,0,0|2,0,0]=4 3197 B12R1.894 [13CH3]C(=O)c1c(ccc(c1F)Br)Br 1458a_100010233042_200025704644 [0,2,0,0,0,0|2,0,0]=4 3198 B12R1.894 [13CH3]C(=O)c1c(ccc(c1F)Br)Cl 1458a_100010235752_200025704644 [0,2,0,0,0,0|2,0,0]=4 3199 B12R1.894 [13CH3]C(=O)c1c(ccc(c1F)Br)F 1458a_100000721511_200025704644 [0,2,0,0,0,0|2,0,0]=4 3200 B12R1.894 [13CH3]C(=O)c1c(ccc(c1F)Cl)Br 1458a_100010769261_200025704644 [0,2,0,0,0,0|2,0,0]=4 3201 B12R1.894 [13CH3]C(=O)c1c(ccc(c1F)Cl)Cl 1458a_100000061686_200025704644 [0,2,0,0,0,0|2,0,0]=4 3202 B12R1.894 [13CH3]C(=O)c1c(ccc(c1F)Cl)F 1458a_100011219569_200025704644 [0,2,0,0,0,0|2,0,0]=4 3203 B12R1.894 [13CH3]C(=O)c1c(ccc(c1F)F)Br 1458a_100010177765_200025704644 [0,2,0,0,0,0|2,0,0]=4 3204 B12R1.894 [13CH3]C(=O)c1c(ccc(c1F)F)Cl 1458a_100011998153_200025704644 [0,2,0,0,0,0|2,0,0]=4 3205 B12R1.894 [13CH3]C(=O)c1c(ccc(c1F)F)F 1458a_100000031524_200025704644 [0,2,0,0,0,0|2,0,0]=4 3206 B12R1.894 [13CH3]C(=O)c1c(ccc(c1F)F)I 1458a_100010177766_200025704644 [0,2,0,0,0,0|2,0,0]=4 3207 B12R1.894 [13CH3]C(=O)c1c(ccc(c1F)F)O 1458a_100000062415_200025704644 [0,2,0,0,0,0|1,0,0]=3 3208 B12R1.894 [13CH3]C(=O)c1c(ccc(c1F)I)Br 1458a_100010782274_200025704644 [0,2,0,0,0,0|2,0,0]=4 3209 B12R1.894 [13CH3]C(=O)c1c(ccc(c1F)I)Cl 1458a_100021583479_200025704644 [0,2,0,0,0,0|2,0,0]=4 3210 B12R1.894 [13CH3]C(=O)c1c(ccc(c1F)I)F 1458a_100012359589_200025704644 [0,2,0,0,0,0|2,0,0]=4 3211 B12R1.894 [13CH3]C(=O)c1c(ccc(c1F)O)F 1458a_100000068660_200025704644 [0,2,0,0,0,0|2,0,0]=4 3212 B12R1.894 [13CH3]C(=O)c1c(ccc(c1O)Br)O 1458a_100010008628_200025704644 [0,2,0,0,0,0|1,0,0]=3 3213 B12R1.894 [13CH3]C(=O)c1c(ccc(c1O)Cl)Cl 1458a_100011255222_200025704644 [0,2,0,0,0,0|1,0,0]=3 3214 B12R1.894 [13CH3]C(=O)c1c(ccc(c1O)Cl)O 1458a_100000080727_200025704644 [0,2,0,0,0,0|1,0,0]=3 3215 B12R1.894 [13CH3]C(=O)c1c(ccc(c1O)F)F 1458a_100011830443_200025704644 [0,2,0,0,0,0|1,0,0]=3 3216 B12R1.1000 C=C(C)c1c(cc(cc1F)F)O 271570a_100000694244_100009815984 [0,2,0,0,0,0|2,0,0]=4 3217 B12R1.1000 C=C(C)c1c(cc(cc1O)C)C 271570a_100000694244_100010342985 [0,2,0,0,0,0|2,0,0]=4 3218 B12R1.1000 C=C(C)c1c(cc(cc1O)Cl)C 271570a_100000694244_100010254216 [0,2,0,0,0,0|2,0,0]=4 3219 B12R1.1000 C=C(C)c1c(cc(cc1O)O)O 271570a_100000694244_200010341185 [0,2,0,0,0,0|2,0,0]=4 3220 B12R1.1000 CC(=O)c1c(cc(cc1Br)Br)Br 1458a_100011217931_200000210301 [0,2,0,0,0,0|2,0,0]=4 3221 B12R1.1000 CC(=O)c1c(cc(cc1Br)Br)F 1458a_100009813784_200000210301 [0,2,0,0,0,0|2,0,0]=4 3222 B12R1.1000 CC(=O)c1c(cc(cc1Br)C)F 1458a_100010768510_200000210301 [0,2,0,0,0,0|2,0,0]=4 3223 B12R1.1000 CC(=O)c1c(cc(cc1Br)Cl)F 1458a_100010244364_200000210301 [0,2,0,0,0,0|2,0,0]=4 3224 B12R1.1000 CC(=O)c1c(cc(cc1Br)F)Br 1458a_200015320377_200000210301 [0,2,0,0,0,0|2,0,0]=4 3225 B12R1.1000 CC(=O)c1c(cc(cc1Br)F)C 1458a_100010204434_200000210301 [0,2,0,0,0,0|2,0,0]=4 3226 B12R1.1000 CC(=O)c1c(cc(cc1Br)F)F 1458a_100013316034_200000210301 [0,2,0,0,0,0|2,0,0]=4 3227 B12R1.1000 CC(=O)c1c(cc(cc1C)Br)C 1458a_100000739581_200000210301 [0,2,0,0,0,0|2,0,0]=4 3228 B12R1.1000 CC(=O)c1c(cc(cc1C)C)C 1458a_100000211658_200000210301 [0,2,0,0,0,0|2,0,0]=4 3229 B12R1.1000 CC(=O)c1c(cc(cc1C)Cl)C 1458a_100000088873_200000210301 [0,2,0,0,0,0|2,0,0]=4 3230 B12R1.1000 CC(=O)c1c(cc(cc1C)F)C 1458a_100012017201_200000210301 [0,2,0,0,0,0|2,0,0]=4 3231 B12R1.1000 CC(=O)c1c(cc(cc1C)O)C 1458a_100000066486_200000210301 [0,2,0,0,0,0|2,0,0]=4 3232 B12R1.1000 CC(=O)c1c(cc(cc1Cl)Br)C 1458a_100000698028_200000210301 [0,2,0,0,0,0|2,0,0]=4 3233 B12R1.1000 CC(=O)c1c(cc(cc1Cl)Br)Cl 1458a_100012360385_200000210301 [0,2,0,0,0,0|2,0,0]=4 3234 B12R1.1000 CC(=O)c1c(cc(cc1Cl)Br)F 1458a_100010078411_200000210301 [0,2,0,0,0,0|2,0,0]=4 3235 B12R1.1000 CC(=O)c1c(cc(cc1Cl)C)Cl 1458a_100009989429_200000210301 [0,2,0,0,0,0|2,0,0]=4 3236 B12R1.1000 CC(=O)c1c(cc(cc1Cl)Cl)Cl 1458a_100011215713_200000210301 [0,2,0,0,0,0|2,0,0]=4 3237 B12R1.1000 CC(=O)c1c(cc(cc1Cl)Cl)F 1458a_100010068318_200000210301 [0,2,0,0,0,0|2,0,0]=4 3238 B12R1.1000 CC(=O)c1c(cc(cc1Cl)F)Cl 1458a_100000703918_200000210301 [0,2,0,0,0,0|2,0,0]=4 3239 B12R1.1000 CC(=O)c1c(cc(cc1Cl)F)F 1458a_100000119028_200000210301 [0,2,0,0,0,0|2,0,0]=4 3240 B12R1.1000 CC(=O)c1c(cc(cc1Cl)I)Cl 1458a_100010740244_200000210301 [0,2,0,0,0,0|2,0,0]=4 3241 B12R1.1000 CC(=O)c1c(cc(cc1Cl)O)Cl 1458a_100010423397_200000210301 [0,2,0,0,0,0|2,0,0]=4 3242 B12R1.1000 CC(=O)c1c(cc(cc1F)Br)C 1458a_100000708665_200000210301 [0,2,0,0,0,0|2,0,0]=4 3243 B12R1.1000 CC(=O)c1c(cc(cc1F)Br)F 1458a_100000766946_200000210301 [0,2,0,0,0,0|2,0,0]=4 3244 B12R1.1000 CC(=O)c1c(cc(cc1F)Br)O 1458a_200015963038_200000210301 [0,2,0,0,0,0|1,0,0]=3 3245 B12R1.1000 CC(=O)c1c(cc(cc1F)C)F 1458a_100009878570_200000210301 [0,2,0,0,0,0|2,0,0]=4 3246 B12R1.1000 CC(=O)c1c(cc(cc1F)Cl)C 1458a_100010768517_200000210301 [0,2,0,0,0,0|2,0,0]=4 3247 B12R1.1000 CC(=O)c1c(cc(cc1F)Cl)F 1458a_100000062413_200000210301 [0,2,0,0,0,0|2,0,0]=4 3248 B12R1.1000 CC(=O)c1c(cc(cc1F)F)F 1458a_100000751013_200000210301 [0,2,0,0,0,0|2,0,0]=4 3249 B12R1.1000 CC(=O)c1c(cc(cc1F)F)O 1458a_100000746385_200000210301 [0,2,0,0,0,0|1,0,0]=3 3250 B12R1.1000 CC(=O)c1c(cc(cc1F)O)F 1458a_100000038755_200000210301 [0,2,0,0,0,0|2,0,0]=4 3251 B12R1.1000 CC(=O)c1c(cc(cc1F)O)F 271570a_203496583355_100012706838 [0,2,0,0,0,0|2,0,0]=4 3252 B12R1.1000 CC(=O)c1c(cc(cc1F)O)O 271570a_203496583355_100010734142 [0,2,0,0,0,0|1,0,0]=3 3253 B12R1.1000 CC(=O)c1c(cc(cc1I)C)I 1458a_200010371430_200000210301 [0,2,0,0,0,0|2,0,0]=4 3254 B12R1.1000 CC(=O)c1c(cc(cc1I)F)C 1458a_200010371433_200000210301 [0,2,0,0,0,0|2,0,0]=4 3255 B12R1.1000 CC(=O)c1c(cc(cc1O)C)C 1458a_100011255216_200000210301 [0,2,0,0,0,0|1,0,0]=3 3256 B12R1.1000 CC(=O)c1c(cc(cc1O)C)O 1458a_100000036929_200000210301 [0,2,0,0,0,0|1,0,0]=3 3257 B12R1.1000 CC(=O)c1c(cc(cc1O)O)C 1458a_200000061528_200000210301 [0,2,0,0,0,0|1,0,0]=3 3258 B12R1.1000 Cc1cc(c(c(c1)Br)C(=O)[13CH3])F 1458a_100010768510_200025704644 [0,2,0,0,0,0|2,0,0]=4 3259 B12R1.1000 Cc1cc(c(c(c1)C)C(=O)[13CH3])C 1458a_100000211658_200025704644 [0,2,0,0,0,0|2,0,0]=4 3260 B12R1.1000 Cc1cc(c(c(c1)Cl)C(=O)[13CH3])Cl 1458a_100009989429_200025704644 [0,2,0,0,0,0|2,0,0]=4 3261 B12R1.1000 Cc1cc(c(c(c1)F)C(=O)[13CH3])F 1458a_100009878570_200025704644 [0,2,0,0,0,0|2,0,0]=4 3262 B12R1.1000 Cc1cc(c(c(c1)I)C(=O)[13CH3])I 1458a_200010371430_200025704644 [0,2,0,0,0,0|2,0,0]=4 3263 B12R1.1000 Cc1cc(c(c(c1)O)C(=O)[13CH3])C 1458a_100011255216_200025704644 [0,2,0,0,0,0|1,0,0]=3 3264 B12R1.1000 Cc1cc(c(c(c1)O)C(=O)[13CH3])O 1458a_100000036929_200025704644 [0,2,0,0,0,0|1,0,0]=3 3265 B12R1.1000 Cc1cc(c(c(n1)O)C(=O)N)C 271570a_203496583355_100000017153 [0,2,0,0,0,0|2,0,0]=4 3266 B12R1.1000 Cc1cc(cc(c1C(=O)N)F)O 271570a_203496583355_100016096366 [0,2,0,0,0,0|2,0,0]=4 3267 B12R1.1000 Cc1cc(cc(c1C(=O)[13CH3])Br)F 1458a_100010204434_200025704644 [0,2,0,0,0,0|2,0,0]=4 3268 B12R1.1000 Cc1cc(cc(c1C(=O)[13CH3])C)Br 1458a_100000739581_200025704644 [0,2,0,0,0,0|2,0,0]=4 3269 B12R1.1000 Cc1cc(cc(c1C(=O)[13CH3])C)Cl 1458a_100000088873_200025704644 [0,2,0,0,0,0|2,0,0]=4 3270 B12R1.1000 Cc1cc(cc(c1C(=O)[13CH3])C)F 1458a_100012017201_200025704644 [0,2,0,0,0,0|2,0,0]=4 3271 B12R1.1000 Cc1cc(cc(c1C(=O)[13CH3])C)O 1458a_100000066486_200025704644 [0,2,0,0,0,0|2,0,0]=4 3272 B12R1.1000 Cc1cc(cc(c1C(=O)[13CH3])Cl)Br 1458a_100000698028_200025704644 [0,2,0,0,0,0|2,0,0]=4 3273 B12R1.1000 Cc1cc(cc(c1C(=O)[13CH3])F)Br 1458a_100000708665_200025704644 [0,2,0,0,0,0|2,0,0]=4 3274 B12R1.1000 Cc1cc(cc(c1C(=O)[13CH3])F)Cl 1458a_100010768517_200025704644 [0,2,0,0,0,0|2,0,0]=4 3275 B12R1.1000 Cc1cc(cc(c1C(=O)[13CH3])I)F 1458a_200010371433_200025704644 [0,2,0,0,0,0|2,0,0]=4 3276 B12R1.1000 Cc1cc(cc(c1C(=O)[13CH3])O)O 1458a_200000061528_200025704644 [0,2,0,0,0,0|1,0,0]=3 3277 B12R1.1000 NC(=O)c1c(cc(cc1F)O)F 271570a_203496583355_100000695656 [0,2,0,0,0,0|2,0,0]=4 3278 B12R1.1000 [13CH3]C(=O)c1c(cc(cc1Br)Br)Br 1458a_100011217931_200025704644 [0,2,0,0,0,0|2,0,0]=4 3279 B12R1.1000 [13CH3]C(=O)c1c(cc(cc1Br)Br)F 1458a_100009813784_200025704644 [0,2,0,0,0,0|2,0,0]=4 3280 B12R1.1000 [13CH3]C(=O)c1c(cc(cc1Br)Cl)F 1458a_100010244364_200025704644 [0,2,0,0,0,0|2,0,0]=4 3281 B12R1.1000 [13CH3]C(=O)c1c(cc(cc1Br)F)Br 1458a_200015320377_200025704644 [0,2,0,0,0,0|2,0,0]=4 3282 B12R1.1000 [13CH3]C(=O)c1c(cc(cc1Br)F)F 1458a_100013316034_200025704644 [0,2,0,0,0,0|2,0,0]=4 3283 B12R1.1000 [13CH3]C(=O)c1c(cc(cc1Cl)Br)Cl 1458a_100012360385_200025704644 [0,2,0,0,0,0|2,0,0]=4 3284 B12R1.1000 [13CH3]C(=O)c1c(cc(cc1Cl)Br)F 1458a_100010078411_200025704644 [0,2,0,0,0,0|2,0,0]=4 3285 B12R1.1000 [13CH3]C(=O)c1c(cc(cc1Cl)Cl)Cl 1458a_100011215713_200025704644 [0,2,0,0,0,0|2,0,0]=4 3286 B12R1.1000 [13CH3]C(=O)c1c(cc(cc1Cl)Cl)F 1458a_100010068318_200025704644 [0,2,0,0,0,0|2,0,0]=4 3287 B12R1.1000 [13CH3]C(=O)c1c(cc(cc1Cl)F)Cl 1458a_100000703918_200025704644 [0,2,0,0,0,0|2,0,0]=4 3288 B12R1.1000 [13CH3]C(=O)c1c(cc(cc1Cl)F)F 1458a_100000119028_200025704644 [0,2,0,0,0,0|2,0,0]=4 3289 B12R1.1000 [13CH3]C(=O)c1c(cc(cc1Cl)I)Cl 1458a_100010740244_200025704644 [0,2,0,0,0,0|2,0,0]=4 3290 B12R1.1000 [13CH3]C(=O)c1c(cc(cc1Cl)O)Cl 1458a_100010423397_200025704644 [0,2,0,0,0,0|2,0,0]=4 3291 B12R1.1000 [13CH3]C(=O)c1c(cc(cc1F)Br)F 1458a_100000766946_200025704644 [0,2,0,0,0,0|2,0,0]=4 3292 B12R1.1000 [13CH3]C(=O)c1c(cc(cc1F)Br)O 1458a_200015963038_200025704644 [0,2,0,0,0,0|1,0,0]=3 3293 B12R1.1000 [13CH3]C(=O)c1c(cc(cc1F)Cl)F 1458a_100000062413_200025704644 [0,2,0,0,0,0|2,0,0]=4 3294 B12R1.1000 [13CH3]C(=O)c1c(cc(cc1F)F)F 1458a_100000751013_200025704644 [0,2,0,0,0,0|2,0,0]=4 3295 B12R1.1000 [13CH3]C(=O)c1c(cc(cc1F)F)O 1458a_100000746385_200025704644 [0,2,0,0,0,0|1,0,0]=3 3296 B12R1.1000 [13CH3]C(=O)c1c(cc(cc1F)O)F 1458a_100000038755_200025704644 [0,2,0,0,0,0|2,0,0]=4 3297 B12R1.3441 CCC(=O)c1c(cccc1Br)Br 1458a_100000690891_100000210202 [0,2,0,0,0,0|2,0,0]=4 3298 B12R1.3441 CCC(=O)c1c(cccc1Br)C 1458a_100000701904_100000210202 [0,2,0,0,0,0|2,0,0]=4 3299 B12R1.3441 CCC(=O)c1c(cccc1Br)Cl 1458a_100011253703_100000210202 [0,2,0,0,0,0|2,0,0]=4 3300 B12R1.3441 CCC(=O)c1c(cccc1Br)F 1458a_100000752694_100000210202 [0,2,0,0,0,0|2,0,0]=4 3301 B12R1.3441 CCC(=O)c1c(cccc1Br)O 1458a_100011935254_100000210202 [0,2,0,0,0,0|1,0,0]=3 3302 B12R1.3441 CCC(=O)c1c(cccc1C)C 1458a_100000758298_100000210202 [0,2,0,0,0,0|2,0,0]=4 3303 B12R1.3441 CCC(=O)c1c(cccc1Cl)C 1458a_100000692601_100000210202 [0,2,0,0,0,0|2,0,0]=4 3304 B12R1.3441 CCC(=O)c1c(cccc1Cl)Cl 1458a_100000210656_100000210202 [0,2,0,0,0,0|2,0,0]=4 3305 B12R1.3441 CCC(=O)c1c(cccc1Cl)F 1458a_100000210369_100000210202 [0,2,0,0,0,0|2,0,0]=4 3306 B12R1.3441 CCC(=O)c1c(cccc1Cl)O 1458a_100000745519_100000210202 [0,2,0,0,0,0|1,0,0]=3 3307 B12R1.3441 CCC(=O)c1c(cccc1F)C 1458a_100000762013_100000210202 [0,2,0,0,0,0|2,0,0]=4 3308 B12R1.3441 CCC(=O)c1c(cccc1F)F 1458a_100000210804_100000210202 [0,2,0,0,0,0|2,0,0]=4 3309 B12R1.3441 CCC(=O)c1c(cccc1F)O 1458a_100000763259_100000210202 [0,2,0,0,0,0|1,0,0]=3 3310 B12R1.3441 CCC(=O)c1c(cccc1I)Br 1458a_100010232521_100000210202 [0,2,0,0,0,0|2,0,0]=4 3311 B12R1.3441 CCC(=O)c1c(cccc1I)C 1458a_100000688020_100000210202 [0,2,0,0,0,0|2,0,0]=4 3312 B12R1.3441 CCC(=O)c1c(cccc1I)Cl 1458a_100000702859_100000210202 [0,2,0,0,0,0|2,0,0]=4 3313 B12R1.3441 CCC(=O)c1c(cccc1I)F 1458a_100000023732_100000210202 [0,2,0,0,0,0|2,0,0]=4 3314 B12R1.3441 CCC(=O)c1c(cccc1O)C 1458a_100011934116_100000210202 [0,2,0,0,0,0|1,0,0]=3 3315 B12R1.3441 CCC(=O)c1c(cccc1O)O 1458a_100000755285_100000210202 [0,2,0,0,0,0|1,0,0]=3 3316 B12R1.3441 CNC(=O)c1c(cccc1Br)Br 11a_106832991635_100000690891 [0,2,0,0,0,0|2,0,0]=4 3317 B12R1.3441 CNC(=O)c1c(cccc1Br)Br 1626a_100102657272_100000690891 [0,2,0,0,0,0|2,0,0]=4 3318 B12R1.3441 CNC(=O)c1c(cccc1Br)Br 240690a_100102657272_100000690891 [0,2,0,0,0,0|2,0,0]=4 3319 B12R1.3441 CNC(=O)c1c(cccc1Br)Br 527a_100102657272_100000690891 [0,2,0,0,0,0|2,0,0]=4 3320 B12R1.3441 CNC(=O)c1c(cccc1Br)C 11a_106832991635_100000701904 [0,2,0,0,0,0|2,0,0]=4 3321 B12R1.3441 CNC(=O)c1c(cccc1Br)C 1626a_100102657272_100000701904 [0,2,0,0,0,0|2,0,0]=4 3322 B12R1.3441 CNC(=O)c1c(cccc1Br)C 240690a_100102657272_100000701904 [0,2,0,0,0,0|2,0,0]=4 3323 B12R1.3441 CNC(=O)c1c(cccc1Br)C 527a_100102657272_100000701904 [0,2,0,0,0,0|2,0,0]=4 3324 B12R1.3441 CNC(=O)c1c(cccc1Br)Cl 11a_106832991635_100011253703 [0,2,0,0,0,0|2,0,0]=4 3325 B12R1.3441 CNC(=O)c1c(cccc1Br)Cl 1626a_100102657272_100011253703 [0,2,0,0,0,0|2,0,0]=4 3326 B12R1.3441 CNC(=O)c1c(cccc1Br)Cl 240690a_100102657272_100011253703 [0,2,0,0,0,0|2,0,0]=4 3327 B12R1.3441 CNC(=O)c1c(cccc1Br)Cl 527a_100102657272_100011253703 [0,2,0,0,0,0|2,0,0]=4 3328 B12R1.3441 CNC(=O)c1c(cccc1Br)F 11a_106832991635_100000752694 [0,2,0,0,0,0|2,0,0]=4 3329 B12R1.3441 CNC(=O)c1c(cccc1Br)F 1626a_100102657272_100000752694 [0,2,0,0,0,0|2,0,0]=4 3330 B12R1.3441 CNC(=O)c1c(cccc1Br)F 240690a_100102657272_100000752694 [0,2,0,0,0,0|2,0,0]=4 3331 B12R1.3441 CNC(=O)c1c(cccc1Br)F 527a_100102657272_100000752694 [0,2,0,0,0,0|2,0,0]=4 3332 B12R1.3441 CNC(=O)c1c(cccc1Br)O 240690a_100102657272_100011935254 [0,2,0,0,0,0|1,0,0]=3 3333 B12R1.3441 CNC(=O)c1c(cccc1Br)O 527a_100102657272_100011935254 [0,2,0,0,0,0|1,0,0]=3 3334 B12R1.3441 CNC(=O)c1c(cccc1C)C 11a_106832991635_100000758298 [0,2,0,0,0,0|2,0,0]=4 3335 B12R1.3441 CNC(=O)c1c(cccc1C)C 1626a_100102657272_100000758298 [0,2,0,0,0,0|2,0,0]=4 3336 B12R1.3441 CNC(=O)c1c(cccc1C)C 240690a_100102657272_100000758298 [0,2,0,0,0,0|2,0,0]=4 3337 B12R1.3441 CNC(=O)c1c(cccc1Cl)C 11a_106832991635_100000692601 [0,2,0,0,0,0|2,0,0]=4 3338 B12R1.3441 CNC(=O)c1c(cccc1Cl)C 1626a_100102657272_100000692601 [0,2,0,0,0,0|2,0,0]=4 3339 B12R1.3441 CNC(=O)c1c(cccc1Cl)C 240690a_100102657272_100000692601 [0,2,0,0,0,0|2,0,0]=4 3340 B12R1.3441 CNC(=O)c1c(cccc1Cl)Cl 11a_106832991635_100000210656 [0,2,0,0,0,0|2,0,0]=4 3341 B12R1.3441 CNC(=O)c1c(cccc1Cl)Cl 1626a_100102657272_100000210656 [0,2,0,0,0,0|2,0,0]=4 3342 B12R1.3441 CNC(=O)c1c(cccc1Cl)Cl 240690a_100102657272_100000210656 [0,2,0,0,0,0|2,0,0]=4 3343 B12R1.3441 CNC(=O)c1c(cccc1Cl)F 11a_106832991635_100000210369 [0,2,0,0,0,0|2,0,0]=4 3344 B12R1.3441 CNC(=O)c1c(cccc1Cl)F 1626a_100102657272_100000210369 [0,2,0,0,0,0|2,0,0]=4 3345 B12R1.3441 CNC(=O)c1c(cccc1Cl)F 240690a_100102657272_100000210369 [0,2,0,0,0,0|2,0,0]=4 3346 B12R1.3441 CNC(=O)c1c(cccc1Cl)F 527a_100102657272_100000210369 [0,2,0,0,0,0|2,0,0]=4 3347 B12R1.3441 CNC(=O)c1c(cccc1Cl)O 240690a_100102657272_100000745519 [0,2,0,0,0,0|1,0,0]=3 3348 B12R1.3441 CNC(=O)c1c(cccc1Cl)O 527a_100102657272_100000745519 [0,2,0,0,0,0|1,0,0]=3 3349 B12R1.3441 CNC(=O)c1c(cccc1F)C 11a_106832991635_100000762013 [0,2,0,0,0,0|2,0,0]=4 3350 B12R1.3441 CNC(=O)c1c(cccc1F)C 1626a_100102657272_100000762013 [0,2,0,0,0,0|2,0,0]=4 3351 B12R1.3441 CNC(=O)c1c(cccc1F)C 240690a_100102657272_100000762013 [0,2,0,0,0,0|2,0,0]=4 3352 B12R1.3441 CNC(=O)c1c(cccc1F)C 527a_100102657272_100000762013 [0,2,0,0,0,0|2,0,0]=4 3353 B12R1.3441 CNC(=O)c1c(cccc1F)F 11a_106832991635_100000210804 [0,2,0,0,0,0|2,0,0]=4 3354 B12R1.3441 CNC(=O)c1c(cccc1F)F 1626a_100102657272_100000210804 [0,2,0,0,0,0|2,0,0]=4 3355 B12R1.3441 CNC(=O)c1c(cccc1F)F 240690a_100102657272_100000210804 [0,2,0,0,0,0|2,0,0]=4 3356 B12R1.3441 CNC(=O)c1c(cccc1F)F 527a_100102657272_100000210804 [0,2,0,0,0,0|2,0,0]=4 3357 B12R1.3441 CNC(=O)c1c(cccc1F)O 271570a_203496583355_100012642803 [0,2,0,0,0,0|1,0,0]=3 3358 B12R1.3441 CNC(=O)c1c(cccc1F)O 527a_100102657272_100000763259 [0,2,0,0,0,0|1,0,0]=3 3359 B12R1.3441 CNC(=O)c1c(cccc1I)Br 11a_106832991635_100010232521 [0,2,0,0,0,0|2,0,0]=4 3360 B12R1.3441 CNC(=O)c1c(cccc1I)Br 1626a_100102657272_100010232521 [0,2,0,0,0,0|2,0,0]=4 3361 B12R1.3441 CNC(=O)c1c(cccc1I)Br 240690a_100102657272_100010232521 [0,2,0,0,0,0|2,0,0]=4 3362 B12R1.3441 CNC(=O)c1c(cccc1I)Br 527a_100102657272_100010232521 [0,2,0,0,0,0|2,0,0]=4 3363 B12R1.3441 CNC(=O)c1c(cccc1I)C 11a_106832991635_100000688020 [0,2,0,0,0,0|2,0,0]=4 3364 B12R1.3441 CNC(=O)c1c(cccc1I)C 1626a_100102657272_100000688020 [0,2,0,0,0,0|2,0,0]=4 3365 B12R1.3441 CNC(=O)c1c(cccc1I)C 240690a_100102657272_100000688020 [0,2,0,0,0,0|2,0,0]=4 3366 B12R1.3441 CNC(=O)c1c(cccc1I)Cl 11a_106832991635_100000702859 [0,2,0,0,0,0|2,0,0]=4 3367 B12R1.3441 CNC(=O)c1c(cccc1I)Cl 1626a_100102657272_100000702859 [0,2,0,0,0,0|2,0,0]=4 3368 B12R1.3441 CNC(=O)c1c(cccc1I)Cl 240690a_100102657272_100000702859 [0,2,0,0,0,0|2,0,0]=4 3369 B12R1.3441 CNC(=O)c1c(cccc1I)Cl 527a_100102657272_100000702859 [0,2,0,0,0,0|2,0,0]=4 3370 B12R1.3441 CNC(=O)c1c(cccc1I)F 11a_106832991635_100000023732 [0,2,0,0,0,0|2,0,0]=4 3371 B12R1.3441 CNC(=O)c1c(cccc1I)F 1626a_100102657272_100000023732 [0,2,0,0,0,0|2,0,0]=4 3372 B12R1.3441 CNC(=O)c1c(cccc1I)F 240690a_100102657272_100000023732 [0,2,0,0,0,0|2,0,0]=4 3373 B12R1.3441 CNC(=O)c1c(cccc1O)O 527a_100102657272_100000755285 [0,2,0,0,0,0|1,0,0]=3 3374 B12R1.3441 COC(=O)c1c(cccc1Br)O 271570a_203496583355_100010247157 [0,2,0,0,0,0|0,0,0]=2 3375 B12R1.3441 COC(=O)c1c(cccc1Cl)O 271570a_203496583355_100010150959 [0,2,0,0,0,0|0,0,0]=2 3376 B12R1.3441 COC(=O)c1c(cccc1F)O 271570a_203496583355_100000150693 [0,2,0,0,0,0|0,0,0]=2 3377 B12R1.3441 COC(=O)c1c(cccc1O)C 271570a_203496583355_100010204206 [0,2,0,0,0,0|0,0,0]=2 3378 B12R1.3441 COC(=O)c1c(cccc1O)N 271570a_203496583355_100010253892 [0,2,0,0,0,0|0,0,0]=2 3379 B12R1.3441 COC(=O)c1c(ccnc1Cl)O 271570a_203496583355_100010138530 [0,2,0,0,0,0|1,0,0]=3 3380 B12R1.3441 COC(=O)c1c(ccnc1F)O 271570a_203496583355_100010150474 [0,2,0,0,0,0|1,0,0]=3 3381 B12R1.3441 COC(=O)c1c(ccnc1O)F 271570a_203496583355_100015560809 [0,2,0,0,0,0|1,0,0]=3 3382 B12R1.3441 COC(=O)c1c(ccnc1O)N 271570a_203496583355_100009985557 [0,2,0,0,0,0|1,0,0]=3 3383 B12R1.3441 COC(=O)c1c(cncc1F)O 271570a_203496583355_100010189632 [0,2,0,0,0,0|1,0,0]=3 3384 B12R1.3441 COC(=O)c1c(ncnc1O)N 271570a_203496583355_200021259019 [0,2,0,0,0,0|2,0,0]=4 3385 B12R1.3441 Cc1cccc(c1C(=O)CF)Br 1458a_100000701904_100015361967 [0,2,0,0,0,0|2,0,0]=4 3386 B12R1.3441 Cc1cccc(c1C(=O)CF)C 1458a_100000758298_100015361967 [0,2,0,0,0,0|2,0,0]=4 3387 B12R1.3441 Cc1cccc(c1C(=O)CF)Cl 1458a_100000692601_100015361967 [0,2,0,0,0,0|2,0,0]=4 3388 B12R1.3441 Cc1cccc(c1C(=O)CF)F 1458a_100000762013_100015361967 [0,2,0,0,0,0|2,0,0]=4 3389 B12R1.3441 Cc1cccc(c1C(=O)CF)I 1458a_100000688020_100015361967 [0,2,0,0,0,0|2,0,0]=4 3390 B12R1.3441 Cc1cccc(c1C(=O)CF)O 1458a_100011934116_100015361967 [0,2,0,0,0,0|1,0,0]=3 3391 B12R1.3441 O=C(CF)c1c(cccc1Br)Br 1458a_100000690891_100015361967 [0,2,0,0,0,0|2,0,0]=4 3392 B12R1.3441 O=C(CF)c1c(cccc1Br)Cl 1458a_100011253703_100015361967 [0,2,0,0,0,0|2,0,0]=4 3393 B12R1.3441 O=C(CF)c1c(cccc1Br)F 1458a_100000752694_100015361967 [0,2,0,0,0,0|2,0,0]=4 3394 B12R1.3441 O=C(CF)c1c(cccc1Br)O 1458a_100011935254_100015361967 [0,2,0,0,0,0|1,0,0]=3 3395 B12R1.3441 O=C(CF)c1c(cccc1Cl)Cl 1458a_100000210656_100015361967 [0,2,0,0,0,0|2,0,0]=4 3396 B12R1.3441 O=C(CF)c1c(cccc1Cl)F 1458a_100000210369_100015361967 [0,2,0,0,0,0|2,0,0]=4 3397 B12R1.3441 O=C(CF)c1c(cccc1Cl)O 1458a_100000745519_100015361967 [0,2,0,0,0,0|1,0,0]=3 3398 B12R1.3441 O=C(CF)c1c(cccc1F)F 1458a_100000210804_100015361967 [0,2,0,0,0,0|2,0,0]=4 3399 B12R1.3441 O=C(CF)c1c(cccc1F)O 1458a_100000763259_100015361967 [0,2,0,0,0,0|1,0,0]=3 3400 B12R1.3441 O=C(CF)c1c(cccc1I)Br 1458a_100010232521_100015361967 [0,2,0,0,0,0|2,0,0]=4 3401 B12R1.3441 O=C(CF)c1c(cccc1I)Cl 1458a_100000702859_100015361967 [0,2,0,0,0,0|2,0,0]=4 3402 B12R1.3441 O=C(CF)c1c(cccc1I)F 1458a_100000023732_100015361967 [0,2,0,0,0,0|2,0,0]=4 3403 B12R1.3441 O=C(CF)c1c(cccc1O)O 1458a_100000755285_100015361967 [0,2,0,0,0,0|1,0,0]=3 3404 B12R1.24 CCC(=O)c1cccc(c1Br)Br 1458a_100012360534_100000210202 [0,2,0,0,0,0|2,0,0]=4 3405 B12R1.24 CCC(=O)c1cccc(c1Br)C 1458a_100000692419_100000210202 [0,2,0,0,0,0|2,0,0]=4 3406 B12R1.24 CCC(=O)c1cccc(c1Br)Cl 1458a_100012339722_100000210202 [0,2,0,0,0,0|2,0,0]=4 3407 B12R1.24 CCC(=O)c1cccc(c1Br)F 1458a_100011217547_100000210202 [0,2,0,0,0,0|2,0,0]=4 3408 B12R1.24 CCC(=O)c1cccc(c1Br)I 1458a_100010232522_100000210202 [0,2,0,0,0,0|2,0,0]=4 3409 B12R1.24 CCC(=O)c1cccc(c1Br)O 1458a_100010230362_100000210202 [0,2,0,0,0,0|2,0,0]=4 3410 B12R1.24 CCC(=O)c1cccc(c1C)Br 1458a_100000760464_100000210202 [0,2,0,0,0,0|2,0,0]=4 3411 B12R1.24 CCC(=O)c1cccc(c1C)C 1458a_100000183679_100000210202 [0,2,0,0,0,0|2,0,0]=4 3412 B12R1.24 CCC(=O)c1cccc(c1C)Cl 1458a_100000690184_100000210202 [0,2,0,0,0,0|2,0,0]=4 3413 B12R1.24 CCC(=O)c1cccc(c1C)F 1458a_100011218272_100000210202 [0,2,0,0,0,0|2,0,0]=4 3414 B12R1.24 CCC(=O)c1cccc(c1C)I 1458a_100000751865_100000210202 [0,2,0,0,0,0|2,0,0]=4 3415 B12R1.24 CCC(=O)c1cccc(c1C)O 1458a_100000766327_100000210202 [0,2,0,0,0,0|2,0,0]=4 3416 B12R1.24 CCC(=O)c1cccc(c1Cl)Br 1458a_100000760540_100000210202 [0,2,0,0,0,0|2,0,0]=4 3417 B12R1.24 CCC(=O)c1cccc(c1Cl)C 1458a_100000693142_100000210202 [0,2,0,0,0,0|2,0,0]=4 3418 B12R1.24 CCC(=O)c1cccc(c1Cl)Cl 1458a_100000183631_100000210202 [0,2,0,0,0,0|2,0,0]=4 3419 B12R1.24 CCC(=O)c1cccc(c1Cl)F 1458a_100000759904_100000210202 [0,2,0,0,0,0|2,0,0]=4 3420 B12R1.24 CCC(=O)c1cccc(c1Cl)I 1458a_100010176783_100000210202 [0,2,0,0,0,0|2,0,0]=4 3421 B12R1.24 CCC(=O)c1cccc(c1Cl)O 1458a_100000092362_100000210202 [0,2,0,0,0,0|2,0,0]=4 3422 B12R1.24 CCC(=O)c1cccc(c1F)Br 1458a_100000756403_100000210202 [0,2,0,0,0,0|2,0,0]=4 3423 B12R1.24 CCC(=O)c1cccc(c1F)C 1458a_100000766181_100000210202 [0,2,0,0,0,0|2,0,0]=4 3424 B12R1.24 CCC(=O)c1cccc(c1F)Cl 1458a_100000688816_100000210202 [0,2,0,0,0,0|2,0,0]=4 3425 B12R1.24 CCC(=O)c1cccc(c1F)F 1458a_100000748134_100000210202 [0,2,0,0,0,0|2,0,0]=4 3426 B12R1.24 CCC(=O)c1cccc(c1F)I 1458a_100010185205_100000210202 [0,2,0,0,0,0|2,0,0]=4 3427 B12R1.24 CCC(=O)c1cccc(c1F)O 1458a_100000037433_100000210202 [0,2,0,0,0,0|2,0,0]=4 3428 B12R1.24 CCC(=O)c1cccc(c1I)Br 1458a_100000688019_100000210202 [0,2,0,0,0,0|2,0,0]=4 3429 B12R1.24 CCC(=O)c1cccc(c1I)C 1458a_100000739377_100000210202 [0,2,0,0,0,0|2,0,0]=4 3430 B12R1.24 CCC(=O)c1cccc(c1I)Cl 1458a_100010176784_100000210202 [0,2,0,0,0,0|2,0,0]=4 3431 B12R1.24 CCC(=O)c1cccc(c1I)F 1458a_100000690930_100000210202 [0,2,0,0,0,0|2,0,0]=4 3432 B12R1.24 CCC(=O)c1cccc(c1I)O 1458a_100010084636_100000210202 [0,2,0,0,0,0|2,0,0]=4 3433 B12R1.24 CCC(=O)c1cccc(c1O)Br 1458a_100000752940_100000210202 [0,2,0,0,0,0|1,0,0]=3 3434 B12R1.24 CCC(=O)c1cccc(c1O)C 1458a_100000183896_100000210202 [0,2,0,0,0,0|1,0,0]=3 3435 B12R1.24 CCC(=O)c1cccc(c1O)Cl 1458a_100000742801_100000210202 [0,2,0,0,0,0|1,0,0]=3 3436 B12R1.24 CCC(=O)c1cccc(c1O)F 1458a_100011217230_100000210202 [0,2,0,0,0,0|1,0,0]=3 3437 B12R1.24 CCC(=O)c1cccc(c1O)O 1458a_100000690420_100000210202 [0,2,0,0,0,0|1,0,0]=3 3438 B12R1.24 CNC(=O)c1cccc(c1Br)Br 11a_106832991635_100012360534 [0,2,0,0,0,0|2,0,0]=4 3439 B12R1.24 CNC(=O)c1cccc(c1Br)Br 1626a_100102657272_100012360534 [0,2,0,0,0,0|2,0,0]=4 3440 B12R1.24 CNC(=O)c1cccc(c1Br)Br 240690a_100102657272_100012360534 [0,2,0,0,0,0|2,0,0]=4 3441 B12R1.24 CNC(=O)c1cccc(c1Br)Br 527a_100102657272_100012360534 [0,2,0,0,0,0|2,0,0]=4 3442 B12R1.24 CNC(=O)c1cccc(c1Br)C 11a_106832991635_100000692419 [0,2,0,0,0,0|2,0,0]=4 3443 B12R1.24 CNC(=O)c1cccc(c1Br)C 1626a_100102657272_100000692419 [0,2,0,0,0,0|2,0,0]=4 3444 B12R1.24 CNC(=O)c1cccc(c1Br)C 240690a_100102657272_100000692419 [0,2,0,0,0,0|2,0,0]=4 3445 B12R1.24 CNC(=O)c1cccc(c1Br)C 527a_100102657272_100000692419 [0,2,0,0,0,0|2,0,0]=4 3446 B12R1.24 CNC(=O)c1cccc(c1Br)Cl 11a_106832991635_100012339722 [0,2,0,0,0,0|2,0,0]=4 3447 B12R1.24 CNC(=O)c1cccc(c1Br)Cl 1626a_100102657272_100012339722 [0,2,0,0,0,0|2,0,0]=4 3448 B12R1.24 CNC(=O)c1cccc(c1Br)Cl 240690a_100102657272_100012339722 [0,2,0,0,0,0|2,0,0]=4 3449 B12R1.24 CNC(=O)c1cccc(c1Br)Cl 527a_100102657272_100012339722 [0,2,0,0,0,0|2,0,0]=4 3450 B12R1.24 CNC(=O)c1cccc(c1Br)F 11a_106832991635_100011217547 [0,2,0,0,0,0|2,0,0]=4 3451 B12R1.24 CNC(=O)c1cccc(c1Br)F 1626a_100102657272_100011217547 [0,2,0,0,0,0|2,0,0]=4 3452 B12R1.24 CNC(=O)c1cccc(c1Br)F 240690a_100102657272_100011217547 [0,2,0,0,0,0|2,0,0]=4 3453 B12R1.24 CNC(=O)c1cccc(c1Br)F 527a_100102657272_100011217547 [0,2,0,0,0,0|2,0,0]=4 3454 B12R1.24 CNC(=O)c1cccc(c1Br)I 11a_106832991635_100010232522 [0,2,0,0,0,0|2,0,0]=4 3455 B12R1.24 CNC(=O)c1cccc(c1Br)I 1626a_100102657272_100010232522 [0,2,0,0,0,0|2,0,0]=4 3456 B12R1.24 CNC(=O)c1cccc(c1Br)I 240690a_100102657272_100010232522 [0,2,0,0,0,0|2,0,0]=4 3457 B12R1.24 CNC(=O)c1cccc(c1Br)I 527a_100102657272_100010232522 [0,2,0,0,0,0|2,0,0]=4 3458 B12R1.24 CNC(=O)c1cccc(c1Br)O 240690a_100102657272_100010230362 [0,2,0,0,0,0|2,0,0]=4 3459 B12R1.24 CNC(=O)c1cccc(c1Br)O 527a_100102657272_100010230362 [0,2,0,0,0,0|2,0,0]=4 3460 B12R1.24 CNC(=O)c1cccc(c1C)Br 11a_106832991635_100000760464 [0,2,0,0,0,0|2,0,0]=4 3461 B12R1.24 CNC(=O)c1cccc(c1C)Br 1626a_100102657272_100000760464 [0,2,0,0,0,0|2,0,0]=4 3462 B12R1.24 CNC(=O)c1cccc(c1C)Br 240690a_100102657272_100000760464 [0,2,0,0,0,0|2,0,0]=4 3463 B12R1.24 CNC(=O)c1cccc(c1C)Br 527a_100102657272_100000760464 [0,2,0,0,0,0|2,0,0]=4 3464 B12R1.24 CNC(=O)c1cccc(c1C)C 11a_106832991635_100000183679 [0,2,0,0,0,0|2,0,0]=4 3465 B12R1.24 CNC(=O)c1cccc(c1C)C 1626a_100102657272_100000183679 [0,2,0,0,0,0|2,0,0]=4 3466 B12R1.24 CNC(=O)c1cccc(c1C)C 240690a_100102657272_100000183679 [0,2,0,0,0,0|2,0,0]=4 3467 B12R1.24 CNC(=O)c1cccc(c1C)C 527a_100102657272_100000183679 [0,2,0,0,0,0|2,0,0]=4 3468 B12R1.24 CNC(=O)c1cccc(c1C)Cl 11a_106832991635_100000690184 [0,2,0,0,0,0|2,0,0]=4 3469 B12R1.24 CNC(=O)c1cccc(c1C)Cl 1626a_100102657272_100000690184 [0,2,0,0,0,0|2,0,0]=4 3470 B12R1.24 CNC(=O)c1cccc(c1C)Cl 240690a_100102657272_100000690184 [0,2,0,0,0,0|2,0,0]=4 3471 B12R1.24 CNC(=O)c1cccc(c1C)Cl 527a_100102657272_100000690184 [0,2,0,0,0,0|2,0,0]=4 3472 B12R1.24 CNC(=O)c1cccc(c1C)F 11a_106832991635_100011218272 [0,2,0,0,0,0|2,0,0]=4 3473 B12R1.24 CNC(=O)c1cccc(c1C)F 1626a_100102657272_100011218272 [0,2,0,0,0,0|2,0,0]=4 3474 B12R1.24 CNC(=O)c1cccc(c1C)F 240690a_100102657272_100011218272 [0,2,0,0,0,0|2,0,0]=4 3475 B12R1.24 CNC(=O)c1cccc(c1C)F 527a_100102657272_100011218272 [0,2,0,0,0,0|2,0,0]=4 3476 B12R1.24 CNC(=O)c1cccc(c1C)I 11a_106832991635_100000751865 [0,2,0,0,0,0|2,0,0]=4 3477 B12R1.24 CNC(=O)c1cccc(c1C)I 1626a_100102657272_100000751865 [0,2,0,0,0,0|2,0,0]=4 3478 B12R1.24 CNC(=O)c1cccc(c1C)I 240690a_100102657272_100000751865 [0,2,0,0,0,0|2,0,0]=4 3479 B12R1.24 CNC(=O)c1cccc(c1C)I 527a_100102657272_100000751865 [0,2,0,0,0,0|2,0,0]=4 3480 B12R1.24 CNC(=O)c1cccc(c1C)O 240690a_100102657272_100000766327 [0,2,0,0,0,0|2,0,0]=4 3481 B12R1.24 CNC(=O)c1cccc(c1C)O 527a_100102657272_100000766327 [0,2,0,0,0,0|2,0,0]=4 3482 B12R1.24 CNC(=O)c1cccc(c1Cl)Br 11a_106832991635_100000760540 [0,2,0,0,0,0|2,0,0]=4 3483 B12R1.24 CNC(=O)c1cccc(c1Cl)Br 1626a_100102657272_100000760540 [0,2,0,0,0,0|2,0,0]=4 3484 B12R1.24 CNC(=O)c1cccc(c1Cl)Br 240690a_100102657272_100000760540 [0,2,0,0,0,0|2,0,0]=4 3485 B12R1.24 CNC(=O)c1cccc(c1Cl)Br 527a_100102657272_100000760540 [0,2,0,0,0,0|2,0,0]=4 3486 B12R1.24 CNC(=O)c1cccc(c1Cl)C 11a_106832991635_100000693142 [0,2,0,0,0,0|2,0,0]=4 3487 B12R1.24 CNC(=O)c1cccc(c1Cl)C 1626a_100102657272_100000693142 [0,2,0,0,0,0|2,0,0]=4 3488 B12R1.24 CNC(=O)c1cccc(c1Cl)C 240690a_100102657272_100000693142 [0,2,0,0,0,0|2,0,0]=4 3489 B12R1.24 CNC(=O)c1cccc(c1Cl)C 527a_100102657272_100000693142 [0,2,0,0,0,0|2,0,0]=4 3490 B12R1.24 CNC(=O)c1cccc(c1Cl)Cl 11a_106832991635_100000183631 [0,2,0,0,0,0|2,0,0]=4 3491 B12R1.24 CNC(=O)c1cccc(c1Cl)Cl 1626a_100102657272_100000183631 [0,2,0,0,0,0|2,0,0]=4 3492 B12R1.24 CNC(=O)c1cccc(c1Cl)Cl 240690a_100102657272_100000183631 [0,2,0,0,0,0|2,0,0]=4 3493 B12R1.24 CNC(=O)c1cccc(c1Cl)Cl 527a_100102657272_100000183631 [0,2,0,0,0,0|2,0,0]=4 3494 B12R1.24 CNC(=O)c1cccc(c1Cl)F 11a_106832991635_100000759904 [0,2,0,0,0,0|2,0,0]=4 3495 B12R1.24 CNC(=O)c1cccc(c1Cl)F 1626a_100102657272_100000759904 [0,2,0,0,0,0|2,0,0]=4 3496 B12R1.24 CNC(=O)c1cccc(c1Cl)F 240690a_100102657272_100000759904 [0,2,0,0,0,0|2,0,0]=4 3497 B12R1.24 CNC(=O)c1cccc(c1Cl)F 527a_100102657272_100000759904 [0,2,0,0,0,0|2,0,0]=4 3498 B12R1.24 CNC(=O)c1cccc(c1Cl)I 11a_106832991635_100010176783 [0,2,0,0,0,0|2,0,0]=4 3499 B12R1.24 CNC(=O)c1cccc(c1Cl)I 1626a_100102657272_100010176783 [0,2,0,0,0,0|2,0,0]=4 3500 B12R1.24 CNC(=O)c1cccc(c1Cl)I 240690a_100102657272_100010176783 [0,2,0,0,0,0|2,0,0]=4 3501 B12R1.24 CNC(=O)c1cccc(c1Cl)I 527a_100102657272_100010176783 [0,2,0,0,0,0|2,0,0]=4 3502 B12R1.24 CNC(=O)c1cccc(c1Cl)O 240690a_100102657272_100000092362 [0,2,0,0,0,0|2,0,0]=4 3503 B12R1.24 CNC(=O)c1cccc(c1Cl)O 527a_100102657272_100000092362 [0,2,0,0,0,0|2,0,0]=4 3504 B12R1.24 CNC(=O)c1cccc(c1F)Br 11a_106832991635_100000756403 [0,2,0,0,0,0|2,0,0]=4 3505 B12R1.24 CNC(=O)c1cccc(c1F)Br 1626a_100102657272_100000756403 [0,2,0,0,0,0|2,0,0]=4 3506 B12R1.24 CNC(=O)c1cccc(c1F)Br 240690a_100102657272_100000756403 [0,2,0,0,0,0|2,0,0]=4 3507 B12R1.24 CNC(=O)c1cccc(c1F)Br 527a_100102657272_100000756403 [0,2,0,0,0,0|2,0,0]=4 3508 B12R1.24 CNC(=O)c1cccc(c1F)C 11a_106832991635_100000766181 [0,2,0,0,0,0|2,0,0]=4 3509 B12R1.24 CNC(=O)c1cccc(c1F)C 1626a_100102657272_100000766181 [0,2,0,0,0,0|2,0,0]=4 3510 B12R1.24 CNC(=O)c1cccc(c1F)C 240690a_100102657272_100000766181 [0,2,0,0,0,0|2,0,0]=4 3511 B12R1.24 CNC(=O)c1cccc(c1F)C 527a_100102657272_100000766181 [0,2,0,0,0,0|2,0,0]=4 3512 B12R1.24 CNC(=O)c1cccc(c1F)Cl 11a_106832991635_100000688816 [0,2,0,0,0,0|2,0,0]=4 3513 B12R1.24 CNC(=O)c1cccc(c1F)Cl 1626a_100102657272_100000688816 [0,2,0,0,0,0|2,0,0]=4 3514 B12R1.24 CNC(=O)c1cccc(c1F)Cl 240690a_100102657272_100000688816 [0,2,0,0,0,0|2,0,0]=4 3515 B12R1.24 CNC(=O)c1cccc(c1F)Cl 527a_100102657272_100000688816 [0,2,0,0,0,0|2,0,0]=4 3516 B12R1.24 CNC(=O)c1cccc(c1F)F 11a_106832991635_100000748134 [0,2,0,0,0,0|2,0,0]=4 3517 B12R1.24 CNC(=O)c1cccc(c1F)F 1626a_100102657272_100000748134 [0,2,0,0,0,0|2,0,0]=4 3518 B12R1.24 CNC(=O)c1cccc(c1F)F 240690a_100102657272_100000748134 [0,2,0,0,0,0|2,0,0]=4 3519 B12R1.24 CNC(=O)c1cccc(c1F)F 527a_100102657272_100000748134 [0,2,0,0,0,0|2,0,0]=4 3520 B12R1.24 CNC(=O)c1cccc(c1F)I 11a_106832991635_100010185205 [0,2,0,0,0,0|2,0,0]=4 3521 B12R1.24 CNC(=O)c1cccc(c1F)I 1626a_100102657272_100010185205 [0,2,0,0,0,0|2,0,0]=4 3522 B12R1.24 CNC(=O)c1cccc(c1F)I 240690a_100102657272_100010185205 [0,2,0,0,0,0|2,0,0]=4 3523 B12R1.24 CNC(=O)c1cccc(c1F)I 527a_100102657272_100010185205 [0,2,0,0,0,0|2,0,0]=4 3524 B12R1.24 CNC(=O)c1cccc(c1F)O 240690a_100102657272_100000037433 [0,2,0,0,0,0|2,0,0]=4 3525 B12R1.24 CNC(=O)c1cccc(c1F)O 527a_100102657272_100000037433 [0,2,0,0,0,0|2,0,0]=4 3526 B12R1.24 CNC(=O)c1cccc(c1I)Br 11a_106832991635_100000688019 [0,2,0,0,0,0|2,0,0]=4 3527 B12R1.24 CNC(=O)c1cccc(c1I)Br 1626a_100102657272_100000688019 [0,2,0,0,0,0|2,0,0]=4 3528 B12R1.24 CNC(=O)c1cccc(c1I)Br 240690a_100102657272_100000688019 [0,2,0,0,0,0|2,0,0]=4 3529 B12R1.24 CNC(=O)c1cccc(c1I)Br 527a_100102657272_100000688019 [0,2,0,0,0,0|2,0,0]=4 3530 B12R1.24 CNC(=O)c1cccc(c1I)C 11a_106832991635_100000739377 [0,2,0,0,0,0|2,0,0]=4 3531 B12R1.24 CNC(=O)c1cccc(c1I)C 1626a_100102657272_100000739377 [0,2,0,0,0,0|2,0,0]=4 3532 B12R1.24 CNC(=O)c1cccc(c1I)C 240690a_100102657272_100000739377 [0,2,0,0,0,0|2,0,0]=4 3533 B12R1.24 CNC(=O)c1cccc(c1I)C 527a_100102657272_100000739377 [0,2,0,0,0,0|2,0,0]=4 3534 B12R1.24 CNC(=O)c1cccc(c1I)Cl 11a_106832991635_100010176784 [0,2,0,0,0,0|2,0,0]=4 3535 B12R1.24 CNC(=O)c1cccc(c1I)Cl 1626a_100102657272_100010176784 [0,2,0,0,0,0|2,0,0]=4 3536 B12R1.24 CNC(=O)c1cccc(c1I)Cl 240690a_100102657272_100010176784 [0,2,0,0,0,0|2,0,0]=4 3537 B12R1.24 CNC(=O)c1cccc(c1I)Cl 527a_100102657272_100010176784 [0,2,0,0,0,0|2,0,0]=4 3538 B12R1.24 CNC(=O)c1cccc(c1I)F 11a_106832991635_100000690930 [0,2,0,0,0,0|2,0,0]=4 3539 B12R1.24 CNC(=O)c1cccc(c1I)F 1626a_100102657272_100000690930 [0,2,0,0,0,0|2,0,0]=4 3540 B12R1.24 CNC(=O)c1cccc(c1I)F 240690a_100102657272_100000690930 [0,2,0,0,0,0|2,0,0]=4 3541 B12R1.24 CNC(=O)c1cccc(c1I)F 527a_100102657272_100000690930 [0,2,0,0,0,0|2,0,0]=4 3542 B12R1.24 CNC(=O)c1cccc(c1I)O 527a_100102657272_100010084636 [0,2,0,0,0,0|2,0,0]=4 3543 B12R1.24 CNC(=O)c1cccc(c1O)Br 240690a_100102657272_100000752940 [0,2,0,0,0,0|1,0,0]=3 3544 B12R1.24 CNC(=O)c1cccc(c1O)Br 527a_100102657272_100000752940 [0,2,0,0,0,0|1,0,0]=3 3545 B12R1.24 CNC(=O)c1cccc(c1O)C 240690a_100102657272_100000183896 [0,2,0,0,0,0|1,0,0]=3 3546 B12R1.24 CNC(=O)c1cccc(c1O)C 527a_100102657272_100000183896 [0,2,0,0,0,0|1,0,0]=3 3547 B12R1.24 CNC(=O)c1cccc(c1O)Cl 240690a_100102657272_100000742801 [0,2,0,0,0,0|1,0,0]=3 3548 B12R1.24 CNC(=O)c1cccc(c1O)Cl 527a_100102657272_100000742801 [0,2,0,0,0,0|1,0,0]=3 3549 B12R1.24 CNC(=O)c1cccc(c1O)F 240690a_100102657272_100011217230 [0,2,0,0,0,0|1,0,0]=3 3550 B12R1.24 CNC(=O)c1cccc(c1O)F 527a_100102657272_100011217230 [0,2,0,0,0,0|1,0,0]=3 3551 B12R1.24 CNC(=O)c1cccc(c1O)O 527a_100102657272_100000690420 [0,2,0,0,0,0|1,0,0]=3 3552 B12R1.24 COC(=O)c1c[nH]cc(c1=O)O 271570a_203496583355_100010873956 [0,2,0,0,0,0|1,0,1]=4 3553 B12R1.24 COC(=O)c1cccc(c1Br)O 271570a_203496583355_100010240208 [0,2,0,0,0,0|1,0,0]=3 3554 B12R1.24 COC(=O)c1cccc(c1C)O 271570a_203496583355_100012298220 [0,2,0,0,0,0|1,0,0]=3 3555 B12R1.24 COC(=O)c1cccc(c1F)O 271570a_203496583355_100012355674 [0,2,0,0,0,0|1,0,0]=3 3556 B12R1.24 COC(=O)c1cccc(c1N)O 271570a_203496583355_100011356556 [0,2,0,0,0,0|1,0,0]=3 3557 B12R1.24 COC(=O)c1cccc(c1O)Br 271570a_203496583355_100010150843 [0,2,0,0,0,0|0,0,0]=2 3558 B12R1.24 COC(=O)c1cccc(c1O)C 271570a_203496583355_100012002529 [0,2,0,0,0,0|0,0,0]=2 3559 B12R1.24 COC(=O)c1cccc(c1O)F 271570a_203496583355_100012357630 [0,2,0,0,0,0|0,0,0]=2 3560 B12R1.24 COC(=O)c1cccc(c1O)N 271570a_203496583355_100000719424 [0,2,0,0,0,0|0,0,0]=2 3561 B12R1.24 COC(=O)c1cccc(c1O)O 271570a_203496583355_100009816214 [0,2,0,0,0,0|0,0,0]=2 3562 B12R1.24 COC(=O)c1cccc(c1O)O 271570a_203496583355_200010230364 [0,2,0,0,0,0|0,0,0]=2 3563 B12R1.24 COC(=O)c1ccnc(c1C)O 271570a_203496583355_100000087782 [0,2,0,0,0,0|2,0,0]=4 3564 B12R1.24 COC(=O)c1ccnc(c1F)O 271570a_203496583355_100000081818 [0,2,0,0,0,0|2,0,0]=4 3565 B12R1.24 COC(=O)c1ccnc(c1N)O 271570a_203496583355_100000067308 [0,2,0,0,0,0|2,0,0]=4 3566 B12R1.24 COC(=O)c1cncc(c1C)O 271570a_203496583355_100010713144 [0,2,0,0,0,0|2,0,0]=4 3567 B12R1.24 COC(=O)c1nccc(c1C)O 271570a_203496583355_100000094583 [0,2,0,0,0,0|2,0,0]=4 3568 B12R1.24 COC(=O)c1nccc(c1F)O 271570a_203496583355_100000687924 [0,2,0,0,0,0|2,0,0]=4 3569 B12R1.24 Cc1c(cccc1C(=O)CF)Br 1458a_100000760464_100015361967 [0,2,0,0,0,0|2,0,0]=4 3570 B12R1.24 Cc1c(cccc1C(=O)CF)Cl 1458a_100000690184_100015361967 [0,2,0,0,0,0|2,0,0]=4 3571 B12R1.24 Cc1c(cccc1C(=O)CF)F 1458a_100011218272_100015361967 [0,2,0,0,0,0|2,0,0]=4 3572 B12R1.24 Cc1c(cccc1C(=O)CF)I 1458a_100000751865_100015361967 [0,2,0,0,0,0|2,0,0]=4 3573 B12R1.24 Cc1c(cccc1C(=O)CF)O 1458a_100000766327_100015361967 [0,2,0,0,0,0|2,0,0]=4 3574 B12R1.24 Cc1c(cccc1C(=O)NN)O 271570a_203496583355_200012298103 [0,2,0,0,0,0|2,0,0]=4 3575 B12R1.24 Cc1cccc(c1Br)C(=O)CF 1458a_100000692419_100015361967 [0,2,0,0,0,0|2,0,0]=4 3576 B12R1.24 Cc1cccc(c1C)C(=O)CF 1458a_100000183679_100015361967 [0,2,0,0,0,0|2,0,0]=4 3577 B12R1.24 Cc1cccc(c1Cl)C(=O)CF 1458a_100000693142_100015361967 [0,2,0,0,0,0|2,0,0]=4 3578 B12R1.24 Cc1cccc(c1F)C(=O)CF 1458a_100000766181_100015361967 [0,2,0,0,0,0|2,0,0]=4 3579 B12R1.24 Cc1cccc(c1I)C(=O)CF 1458a_100000739377_100015361967 [0,2,0,0,0,0|2,0,0]=4 3580 B12R1.24 Cc1cccc(c1O)C(=O)CF 1458a_100000183896_100015361967 [0,2,0,0,0,0|1,0,0]=3 3581 B12R1.24 O=C(CF)c1cccc(c1Br)Br 1458a_100012360534_100015361967 [0,2,0,0,0,0|2,0,0]=4 3582 B12R1.24 O=C(CF)c1cccc(c1Br)Cl 1458a_100012339722_100015361967 [0,2,0,0,0,0|2,0,0]=4 3583 B12R1.24 O=C(CF)c1cccc(c1Br)F 1458a_100011217547_100015361967 [0,2,0,0,0,0|2,0,0]=4 3584 B12R1.24 O=C(CF)c1cccc(c1Br)I 1458a_100010232522_100015361967 [0,2,0,0,0,0|2,0,0]=4 3585 B12R1.24 O=C(CF)c1cccc(c1Br)O 1458a_100010230362_100015361967 [0,2,0,0,0,0|2,0,0]=4 3586 B12R1.24 O=C(CF)c1cccc(c1Cl)Br 1458a_100000760540_100015361967 [0,2,0,0,0,0|2,0,0]=4 3587 B12R1.24 O=C(CF)c1cccc(c1Cl)Cl 1458a_100000183631_100015361967 [0,2,0,0,0,0|2,0,0]=4 3588 B12R1.24 O=C(CF)c1cccc(c1Cl)F 1458a_100000759904_100015361967 [0,2,0,0,0,0|2,0,0]=4 3589 B12R1.24 O=C(CF)c1cccc(c1Cl)I 1458a_100010176783_100015361967 [0,2,0,0,0,0|2,0,0]=4 3590 B12R1.24 O=C(CF)c1cccc(c1Cl)O 1458a_100000092362_100015361967 [0,2,0,0,0,0|2,0,0]=4 3591 B12R1.24 O=C(CF)c1cccc(c1F)Br 1458a_100000756403_100015361967 [0,2,0,0,0,0|2,0,0]=4 3592 B12R1.24 O=C(CF)c1cccc(c1F)Cl 1458a_100000688816_100015361967 [0,2,0,0,0,0|2,0,0]=4 3593 B12R1.24 O=C(CF)c1cccc(c1F)F 1458a_100000748134_100015361967 [0,2,0,0,0,0|2,0,0]=4 3594 B12R1.24 O=C(CF)c1cccc(c1F)I 1458a_100010185205_100015361967 [0,2,0,0,0,0|2,0,0]=4 3595 B12R1.24 O=C(CF)c1cccc(c1F)O 1458a_100000037433_100015361967 [0,2,0,0,0,0|2,0,0]=4 3596 B12R1.24 O=C(CF)c1cccc(c1I)Br 1458a_100000688019_100015361967 [0,2,0,0,0,0|2,0,0]=4 3597 B12R1.24 O=C(CF)c1cccc(c1I)Cl 1458a_100010176784_100015361967 [0,2,0,0,0,0|2,0,0]=4 3598 B12R1.24 O=C(CF)c1cccc(c1I)F 1458a_100000690930_100015361967 [0,2,0,0,0,0|2,0,0]=4 3599 B12R1.24 O=C(CF)c1cccc(c1I)O 1458a_100010084636_100015361967 [0,2,0,0,0,0|2,0,0]=4 3600 B12R1.24 O=C(CF)c1cccc(c1O)Br 1458a_100000752940_100015361967 [0,2,0,0,0,0|1,0,0]=3 3601 B12R1.24 O=C(CF)c1cccc(c1O)Cl 1458a_100000742801_100015361967 [0,2,0,0,0,0|1,0,0]=3 3602 B12R1.24 O=C(CF)c1cccc(c1O)F 1458a_100011217230_100015361967 [0,2,0,0,0,0|1,0,0]=3 3603 B12R1.24 O=C(CF)c1cccc(c1O)O 1458a_100000690420_100015361967 [0,2,0,0,0,0|1,0,0]=3 3604 B12R1.440 C=C(C)c1cccc(c1O)C#N 271570a_100000694244_100009817103 [0,2,0,0,0,0|2,0,0]=4 3605 B12R1.440 C=C(C)c1cccc(c1O)C=O 271570a_100000694244_100000737635 [0,2,0,0,0,0|2,0,0]=4 3606 B12R1.440 C=C(C)c1cccc(c1O)CC 271570a_100000694244_200010001580 [0,2,0,0,0,0|2,0,0]=4 3607 B12R1.440 C=C(C)c1cccc(c1O)OC 271570a_100000694244_100000686866 [0,2,0,0,0,0|2,0,0]=4 3608 B12R1.440 C=Cc1cccc(c1C)C(=O)C 271570a_100011290941_100012706834 [0,2,0,0,0,0|2,0,0]=4 3609 B12R1.440 C=Cc1cccc(c1C)C(=O)N 271570a_100011290941_200012298201 [0,2,0,0,0,0|2,0,0]=4 3610 B12R1.440 C=Cc1cccc(c1F)C(=O)C 271570a_100011290941_100012355707 [0,2,0,0,0,0|2,0,0]=4 3611 B12R1.440 C=Cc1cccc(c1F)C(=O)N 271570a_100011290941_100012351131 [0,2,0,0,0,0|2,0,0]=4 3612 B12R1.440 C=Cc1cccc(c1N)C(=O)N 271570a_100011290941_100010144993 [0,2,0,0,0,0|2,0,0]=4 3613 B12R1.440 C=Cc1cccc(c1O)C(=O)C 271570a_100011290941_100009815558 [0,2,0,0,0,0|1,0,0]=3 3614 B12R1.440 CC(=O)c1cccc(c1C)O[13CH3] 34a_200009877264_200025704644 [0,2,0,0,0,0|2,0,0]=4 3615 B12R1.440 CC(=O)c1cccc(c1C)O[13CH3] 7a_200009877264_200025704644 [0,2,0,0,0,0|2,0,0]=4 3616 B12R1.440 CC(=O)c1cccc(c1C)S[13CH3] 62a_100012706834_200025704644 [0,2,0,0,0,0|2,0,0]=4 3617 B12R1.440 CC(=O)c1cccc(c1C)S[13CH3] 62a_200025704644_100012706834 [0,2,0,0,0,0|2,0,0]=4 3618 B12R1.440 CC(=O)c1cccc(c1Cl)C#N 1458a_100009860865_200000210301 [0,2,0,0,0,0|2,0,0]=4 3619 B12R1.440 CC(=O)c1cccc(c1F)C#N 1458a_100011999812_200000210301 [0,2,0,0,0,0|2,0,0]=4 3620 B12R1.440 CC(=O)c1cccc(c1F)O[13CH3] 34a_100009856408_200025704644 [0,2,0,0,0,0|2,0,0]=4 3621 B12R1.440 CC(=O)c1cccc(c1F)O[13CH3] 7a_100009856408_200025704644 [0,2,0,0,0,0|2,0,0]=4 3622 B12R1.440 CC(=O)c1cccc(c1F)S[13CH3] 62a_100012355707_200025704644 [0,2,0,0,0,0|2,0,0]=4 3623 B12R1.440 CC(=O)c1cccc(c1F)S[13CH3] 62a_200025704644_100012355707 [0,2,0,0,0,0|2,0,0]=4 3624 B12R1.440 CC(=O)c1cccc(c1N)O[13CH3] 7a_100000036053_200025704644 [0,2,0,0,0,0|2,0,0]=4 3625 B12R1.440 CC(=O)c1cccc(c1O)C#N 1458a_100009886288_200000210301 [0,2,0,0,0,0|1,0,0]=3 3626 B12R1.440 CNc1cccc(c1C)C(=O)N 34a_100000738810_200000210301 [0,2,0,0,0,0|2,0,0]=4 3627 B12R1.440 CNc1cccc(c1C)C(=O)N 7a_100000738810_200000210301 [0,2,0,0,0,0|2,0,0]=4 3628 B12R1.440 CNc1cccc(c1F)C(=O)N 34a_100014075672_200000210301 [0,2,0,0,0,0|2,0,0]=4 3629 B12R1.440 COc1cccc(c1Br)C(=O)C 1458a_100010245468_200000210301 [0,2,0,0,0,0|2,0,0]=4 3630 B12R1.440 COc1cccc(c1Br)C(=O)[13CH3] 1458a_100010245468_200025704644 [0,2,0,0,0,0|2,0,0]=4 3631 B12R1.440 COc1cccc(c1C)C(=O)C 1458a_100011217801_200000210301 [0,2,0,0,0,0|2,0,0]=4 3632 B12R1.440 COc1cccc(c1C)C(=O)C 34a_200009877264_200000210301 [0,2,0,0,0,0|2,0,0]=4 3633 B12R1.440 COc1cccc(c1C)C(=O)C 7a_200009877264_200000210301 [0,2,0,0,0,0|2,0,0]=4 3634 B12R1.440 COc1cccc(c1C)C(=O)[13CH3] 1458a_100011217801_200025704644 [0,2,0,0,0,0|2,0,0]=4 3635 B12R1.440 COc1cccc(c1Cl)C(=O)C 1458a_100000068443_200000210301 [0,2,0,0,0,0|2,0,0]=4 3636 B12R1.440 COc1cccc(c1Cl)C(=O)[13CH3] 1458a_100000068443_200025704644 [0,2,0,0,0,0|2,0,0]=4 3637 B12R1.440 COc1cccc(c1F)C(=O)C 1458a_100000766180_200000210301 [0,2,0,0,0,0|2,0,0]=4 3638 B12R1.440 COc1cccc(c1F)C(=O)C 34a_100009856408_200000210301 [0,2,0,0,0,0|2,0,0]=4 3639 B12R1.440 COc1cccc(c1F)C(=O)C 7a_100009856408_200000210301 [0,2,0,0,0,0|2,0,0]=4 3640 B12R1.440 COc1cccc(c1F)C(=O)N 34a_100009841371_200000210301 [0,2,0,0,0,0|2,0,0]=4 3641 B12R1.440 COc1cccc(c1F)C(=O)N 7a_100009841371_200000210301 [0,2,0,0,0,0|2,0,0]=4 3642 B12R1.440 COc1cccc(c1F)C(=O)[13CH3] 1458a_100000766180_200025704644 [0,2,0,0,0,0|2,0,0]=4 3643 B12R1.440 COc1cccc(c1I)C(=O)C 1458a_100010075502_200000210301 [0,2,0,0,0,0|2,0,0]=4 3644 B12R1.440 COc1cccc(c1I)C(=O)[13CH3] 1458a_100010075502_200025704644 [0,2,0,0,0,0|2,0,0]=4 3645 B12R1.440 COc1cccc(c1N)C(=O)C 7a_100000036053_200000210301 [0,2,0,0,0,0|2,0,0]=4 3646 B12R1.440 COc1cccc(c1O)C(=O)C 1458a_100000212136_200000210301 [0,2,0,0,0,0|1,0,0]=3 3647 B12R1.440 COc1cccc(c1O)C(=O)[13CH3] 1458a_100000212136_200025704644 [0,2,0,0,0,0|1,0,0]=3 3648 B12R1.440 CSc1cccc(c1C)C(=O)C 62a_100012706834_200000210301 [0,2,0,0,0,0|2,0,0]=4 3649 B12R1.440 CSc1cccc(c1C)C(=O)C 62a_200000210301_100012706834 [0,2,0,0,0,0|2,0,0]=4 3650 B12R1.440 CSc1cccc(c1C)C(=O)N 62a_200000210301_200012298201 [0,2,0,0,0,0|2,0,0]=4 3651 B12R1.440 CSc1cccc(c1C)C(=O)N 62a_200012298201_200000210301 [0,2,0,0,0,0|2,0,0]=4 3652 B12R1.440 CSc1cccc(c1F)C(=O)C 62a_100012355707_200000210301 [0,2,0,0,0,0|2,0,0]=4 3653 B12R1.440 CSc1cccc(c1F)C(=O)C 62a_200000210301_100012355707 [0,2,0,0,0,0|2,0,0]=4 3654 B12R1.440 CSc1cccc(c1F)C(=O)N 62a_100012351131_200000210301 [0,2,0,0,0,0|2,0,0]=4 3655 B12R1.440 CSc1cccc(c1F)C(=O)N 62a_200000210301_100012351131 [0,2,0,0,0,0|2,0,0]=4 3656 B12R1.440 CSc1cccc(c1N)C(=O)N 62a_100010144993_200000210301 [0,2,0,0,0,0|2,0,0]=4 3657 B12R1.440 Cc1c(cccc1C(=O)N)N[13CH3] 34a_100000738810_200025704644 [0,2,0,0,0,0|2,0,0]=4 3658 B12R1.440 Cc1c(cccc1C(=O)N)N[13CH3] 7a_100000738810_200025704644 [0,2,0,0,0,0|2,0,0]=4 3659 B12R1.440 Cc1c(cccc1C(=O)N)S[13CH3] 62a_200012298201_200025704644 [0,2,0,0,0,0|2,0,0]=4 3660 B12R1.440 Cc1c(cccc1C(=O)N)S[13CH3] 62a_200025704644_200012298201 [0,2,0,0,0,0|2,0,0]=4 3661 B12R1.440 [13CH3]C(=O)c1cccc(c1Cl)C#N 1458a_100009860865_200025704644 [0,2,0,0,0,0|2,0,0]=4 3662 B12R1.440 [13CH3]C(=O)c1cccc(c1F)C#N 1458a_100011999812_200025704644 [0,2,0,0,0,0|2,0,0]=4 3663 B12R1.440 [13CH3]C(=O)c1cccc(c1O)C#N 1458a_100009886288_200025704644 [0,2,0,0,0,0|1,0,0]=3 3664 B12R1.440 [13CH3]Nc1cccc(c1F)C(=O)N 34a_100014075672_200025704644 [0,2,0,0,0,0|2,0,0]=4 3665 B12R1.440 [13CH3]Oc1cccc(c1F)C(=O)N 34a_100009841371_200025704644 [0,2,0,0,0,0|2,0,0]=4 3666 B12R1.440 [13CH3]Oc1cccc(c1F)C(=O)N 7a_100009841371_200025704644 [0,2,0,0,0,0|2,0,0]=4 3667 B12R1.440 [13CH3]Sc1cccc(c1F)C(=O)N 62a_100012351131_200025704644 [0,2,0,0,0,0|2,0,0]=4 3668 B12R1.440 [13CH3]Sc1cccc(c1F)C(=O)N 62a_200025704644_100012351131 [0,2,0,0,0,0|2,0,0]=4 3669 B12R1.440 [13CH3]Sc1cccc(c1N)C(=O)N 62a_100010144993_200025704644 [0,2,0,0,0,0|2,0,0]=4 3670 B12R1.511 C=C(C)c1cc(cc(c1O)Br)F 271570a_100000694244_200013085147 [0,2,0,0,0,0|2,0,0]=4 3671 B12R1.511 C=C(C)c1cc(cc(c1O)C)C 271570a_100000694244_100011934984 [0,2,0,0,0,0|2,0,0]=4 3672 B12R1.511 C=C(C)c1cc(cc(c1O)C)Cl 271570a_100000694244_100012343667 [0,2,0,0,0,0|2,0,0]=4 3673 B12R1.511 C=C(C)c1cc(cc(c1O)C)N 271570a_100000694244_100010064301 [0,2,0,0,0,0|2,0,0]=4 3674 B12R1.511 C=C(C)c1cc(cc(c1O)Cl)Cl 271570a_100000694244_200012339341 [0,2,0,0,0,0|2,0,0]=4 3675 B12R1.511 C=C(C)c1cc(cc(c1O)F)Br 271570a_100000694244_100013354677 [0,2,0,0,0,0|2,0,0]=4 3676 B12R1.511 C=C(C)c1cc(cc(c1O)F)C 271570a_100000694244_200135191068 [0,2,0,0,0,0|2,0,0]=4 3677 B12R1.511 C=C(C)c1cc(cc(c1O)F)F 271570a_100000694244_100000688693 [0,2,0,0,0,0|2,0,0]=4 3678 B12R1.511 C=C(C)c1cc(cc(c1O)N)F 271570a_100000694244_200011217456 [0,2,0,0,0,0|2,0,0]=4 3679 B12R1.511 CC(=O)c1cc(cc(c1Br)Br)C 1458a_200012920551_200000210301 [0,2,0,0,0,0|2,0,0]=4 3680 B12R1.511 CC(=O)c1cc(cc(c1Br)C)C 1458a_200000701928_200000210301 [0,2,0,0,0,0|2,0,0]=4 3681 B12R1.511 CC(=O)c1cc(cc(c1Br)F)F 1458a_100010209673_200000210301 [0,2,0,0,0,0|2,0,0]=4 3682 B12R1.511 CC(=O)c1cc(cc(c1C)Br)Br 1458a_100012356187_200000210301 [0,2,0,0,0,0|2,0,0]=4 3683 B12R1.511 CC(=O)c1cc(cc(c1C)Br)F 1458a_100012347597_200000210301 [0,2,0,0,0,0|2,0,0]=4 3684 B12R1.511 CC(=O)c1cc(cc(c1C)C)Br 1458a_100012920495_200000210301 [0,2,0,0,0,0|2,0,0]=4 3685 B12R1.511 CC(=O)c1cc(cc(c1C)Cl)Br 1458a_100012921640_200000210301 [0,2,0,0,0,0|2,0,0]=4 3686 B12R1.511 CC(=O)c1cc(cc(c1C)Cl)F 1458a_100012177191_200000210301 [0,2,0,0,0,0|2,0,0]=4 3687 B12R1.511 CC(=O)c1cc(cc(c1C)F)Br 1458a_100010768523_200000210301 [0,2,0,0,0,0|2,0,0]=4 3688 B12R1.511 CC(=O)c1cc(cc(c1C)O)Br 1458a_100011101721_200000210301 [0,2,0,0,0,0|2,0,0]=4 3689 B12R1.511 CC(=O)c1cc(cc(c1Cl)Br)Cl 1458a_200012920481_200000210301 [0,2,0,0,0,0|2,0,0]=4 3690 B12R1.511 CC(=O)c1cc(cc(c1Cl)Br)F 1458a_100011105905_200000210301 [0,2,0,0,0,0|2,0,0]=4 3691 B12R1.511 CC(=O)c1cc(cc(c1Cl)C)F 1458a_200010768536_200000210301 [0,2,0,0,0,0|2,0,0]=4 3692 B12R1.511 CC(=O)c1cc(cc(c1Cl)Cl)Cl 1458a_100011215521_200000210301 [0,2,0,0,0,0|2,0,0]=4 3693 B12R1.511 CC(=O)c1cc(cc(c1Cl)Cl)F 1458a_200010244589_200000210301 [0,2,0,0,0,0|2,0,0]=4 3694 B12R1.511 CC(=O)c1cc(cc(c1Cl)F)Cl 1458a_200012352169_200000210301 [0,2,0,0,0,0|2,0,0]=4 3695 B12R1.511 CC(=O)c1cc(cc(c1Cl)F)F 1458a_100009888511_200000210301 [0,2,0,0,0,0|2,0,0]=4 3696 B12R1.511 CC(=O)c1cc(cc(c1F)Br)C 1458a_100009996753_200000210301 [0,2,0,0,0,0|2,0,0]=4 3697 B12R1.511 CC(=O)c1cc(cc(c1F)Br)Cl 1458a_100000720295_200000210301 [0,2,0,0,0,0|2,0,0]=4 3698 B12R1.511 CC(=O)c1cc(cc(c1F)Br)F 1458a_100012920464_200000210301 [0,2,0,0,0,0|2,0,0]=4 3699 B12R1.511 CC(=O)c1cc(cc(c1F)C)Br 1458a_100012928937_200000210301 [0,2,0,0,0,0|2,0,0]=4 3700 B12R1.511 CC(=O)c1cc(cc(c1F)Cl)Br 1458a_100012920557_200000210301 [0,2,0,0,0,0|2,0,0]=4 3701 B12R1.511 CC(=O)c1cc(cc(c1F)Cl)I 1458a_100012920558_200000210301 [0,2,0,0,0,0|2,0,0]=4 3702 B12R1.511 CC(=O)c1cc(cc(c1F)F)Br 1458a_100012349847_200000210301 [0,2,0,0,0,0|2,0,0]=4 3703 B12R1.511 CC(=O)c1cc(cc(c1F)F)C 1458a_100000094381_200000210301 [0,2,0,0,0,0|2,0,0]=4 3704 B12R1.511 CC(=O)c1cc(cc(c1F)F)F 1458a_100011217470_200000210301 [0,2,0,0,0,0|2,0,0]=4 3705 B12R1.511 CC(=O)c1cc(cc(c1F)F)I 1458a_100012344719_200000210301 [0,2,0,0,0,0|2,0,0]=4 3706 B12R1.511 CC(=O)c1cc(cc(c1I)I)I 1458a_100000211575_200000210301 [0,2,0,0,0,0|2,0,0]=4 3707 B12R1.511 CC(=O)c1cc(cc(c1O)Br)Br 1458a_100000212120_200000210301 [0,2,0,0,0,0|1,0,0]=3 3708 B12R1.511 CC(=O)c1cc(cc(c1O)Br)Cl 1458a_100000765379_200000210301 [0,2,0,0,0,0|1,0,0]=3 3709 B12R1.511 CC(=O)c1cc(cc(c1O)C)Br 1458a_100011825902_200000210301 [0,2,0,0,0,0|1,0,0]=3 3710 B12R1.511 CC(=O)c1cc(cc(c1O)C)Cl 1458a_100011255218_200000210301 [0,2,0,0,0,0|1,0,0]=3 3711 B12R1.511 CC(=O)c1cc(cc(c1O)Cl)Cl 1458a_100000215963_200000210301 [0,2,0,0,0,0|1,0,0]=3 3712 B12R1.511 CC(=O)c1cc(cc(c1O)F)Br 1458a_100011255233_200000210301 [0,2,0,0,0,0|1,0,0]=3 3713 B12R1.511 CC(=O)c1cc(cc(c1O)F)F 1458a_100011255242_200000210301 [0,2,0,0,0,0|1,0,0]=3 3714 B12R1.511 CC(=O)c1cc(cc(c1O)I)I 1458a_100000748652_200000210301 [0,2,0,0,0,0|1,0,0]=3 3715 B12R1.511 CC(=O)c1cc(cc(c1O)O)Br 1458a_200010196872_200000210301 [0,2,0,0,0,0|1,0,0]=3 3716 B12R1.511 CC(=O)c1cc(cc(c1O)O)C 271570a_203496583355_100011659362 [0,2,0,0,0,0|1,0,0]=3 3717 B12R1.511 Cc1c(cc(cc1C(=O)[13CH3])Br)Br 1458a_100012356187_200025704644 [0,2,0,0,0,0|2,0,0]=4 3718 B12R1.511 Cc1c(cc(cc1C(=O)[13CH3])Br)Cl 1458a_100012921640_200025704644 [0,2,0,0,0,0|2,0,0]=4 3719 B12R1.511 Cc1c(cc(cc1C(=O)[13CH3])Br)F 1458a_100010768523_200025704644 [0,2,0,0,0,0|2,0,0]=4 3720 B12R1.511 Cc1c(cc(cc1C(=O)[13CH3])Br)O 1458a_100011101721_200025704644 [0,2,0,0,0,0|2,0,0]=4 3721 B12R1.511 Cc1c(cc(cc1C(=O)[13CH3])F)Br 1458a_100012347597_200025704644 [0,2,0,0,0,0|2,0,0]=4 3722 B12R1.511 Cc1c(cc(cc1C(=O)[13CH3])F)Cl 1458a_100012177191_200025704644 [0,2,0,0,0,0|2,0,0]=4 3723 B12R1.511 Cc1cc(c(c(c1)C(=O)[13CH3])Br)Br 1458a_200012920551_200025704644 [0,2,0,0,0,0|2,0,0]=4 3724 B12R1.511 Cc1cc(c(c(c1)C(=O)[13CH3])Br)C 1458a_200000701928_200025704644 [0,2,0,0,0,0|2,0,0]=4 3725 B12R1.511 Cc1cc(c(c(c1)C(=O)[13CH3])F)Br 1458a_100009996753_200025704644 [0,2,0,0,0,0|2,0,0]=4 3726 B12R1.511 Cc1cc(c(c(c1)C(=O)[13CH3])F)F 1458a_100000094381_200025704644 [0,2,0,0,0,0|2,0,0]=4 3727 B12R1.511 Cc1cc(cc(c1C)C(=O)[13CH3])Br 1458a_100012920495_200025704644 [0,2,0,0,0,0|2,0,0]=4 3728 B12R1.511 Cc1cc(cc(c1Cl)C(=O)[13CH3])F 1458a_200010768536_200025704644 [0,2,0,0,0,0|2,0,0]=4 3729 B12R1.511 Cc1cc(cc(c1F)C(=O)[13CH3])Br 1458a_100012928937_200025704644 [0,2,0,0,0,0|2,0,0]=4 3730 B12R1.511 Cc1cc(cc(c1O)C(=O)[13CH3])Br 1458a_100011825902_200025704644 [0,2,0,0,0,0|1,0,0]=3 3731 B12R1.511 Cc1cc(cc(c1O)C(=O)[13CH3])Cl 1458a_100011255218_200025704644 [0,2,0,0,0,0|1,0,0]=3 3732 B12R1.511 NC(=O)c1cc(cc(c1O)O)F 271570a_203496583355_200135271384 [0,2,0,0,0,0|1,0,0]=3 3733 B12R1.511 [13CH3]C(=O)c1cc(cc(c1Br)F)F 1458a_100010209673_200025704644 [0,2,0,0,0,0|2,0,0]=4 3734 B12R1.511 [13CH3]C(=O)c1cc(cc(c1Cl)Br)Cl 1458a_200012920481_200025704644 [0,2,0,0,0,0|2,0,0]=4 3735 B12R1.511 [13CH3]C(=O)c1cc(cc(c1Cl)Br)F 1458a_100011105905_200025704644 [0,2,0,0,0,0|2,0,0]=4 3736 B12R1.511 [13CH3]C(=O)c1cc(cc(c1Cl)Cl)Cl 1458a_100011215521_200025704644 [0,2,0,0,0,0|2,0,0]=4 3737 B12R1.511 [13CH3]C(=O)c1cc(cc(c1Cl)Cl)F 1458a_200010244589_200025704644 [0,2,0,0,0,0|2,0,0]=4 3738 B12R1.511 [13CH3]C(=O)c1cc(cc(c1Cl)F)Cl 1458a_200012352169_200025704644 [0,2,0,0,0,0|2,0,0]=4 3739 B12R1.511 [13CH3]C(=O)c1cc(cc(c1Cl)F)F 1458a_100009888511_200025704644 [0,2,0,0,0,0|2,0,0]=4 3740 B12R1.511 [13CH3]C(=O)c1cc(cc(c1F)Br)Cl 1458a_100000720295_200025704644 [0,2,0,0,0,0|2,0,0]=4 3741 B12R1.511 [13CH3]C(=O)c1cc(cc(c1F)Br)F 1458a_100012920464_200025704644 [0,2,0,0,0,0|2,0,0]=4 3742 B12R1.511 [13CH3]C(=O)c1cc(cc(c1F)Cl)Br 1458a_100012920557_200025704644 [0,2,0,0,0,0|2,0,0]=4 3743 B12R1.511 [13CH3]C(=O)c1cc(cc(c1F)Cl)I 1458a_100012920558_200025704644 [0,2,0,0,0,0|2,0,0]=4 3744 B12R1.511 [13CH3]C(=O)c1cc(cc(c1F)F)Br 1458a_100012349847_200025704644 [0,2,0,0,0,0|2,0,0]=4 3745 B12R1.511 [13CH3]C(=O)c1cc(cc(c1F)F)F 1458a_100011217470_200025704644 [0,2,0,0,0,0|2,0,0]=4 3746 B12R1.511 [13CH3]C(=O)c1cc(cc(c1F)F)I 1458a_100012344719_200025704644 [0,2,0,0,0,0|2,0,0]=4 3747 B12R1.511 [13CH3]C(=O)c1cc(cc(c1I)I)I 1458a_100000211575_200025704644 [0,2,0,0,0,0|2,0,0]=4 3748 B12R1.511 [13CH3]C(=O)c1cc(cc(c1O)Br)Br 1458a_100000212120_200025704644 [0,2,0,0,0,0|1,0,0]=3 3749 B12R1.511 [13CH3]C(=O)c1cc(cc(c1O)Br)Cl 1458a_100000765379_200025704644 [0,2,0,0,0,0|1,0,0]=3 3750 B12R1.511 [13CH3]C(=O)c1cc(cc(c1O)Cl)Cl 1458a_100000215963_200025704644 [0,2,0,0,0,0|1,0,0]=3 3751 B12R1.511 [13CH3]C(=O)c1cc(cc(c1O)F)Br 1458a_100011255233_200025704644 [0,2,0,0,0,0|1,0,0]=3 3752 B12R1.511 [13CH3]C(=O)c1cc(cc(c1O)F)F 1458a_100011255242_200025704644 [0,2,0,0,0,0|1,0,0]=3 3753 B12R1.511 [13CH3]C(=O)c1cc(cc(c1O)I)I 1458a_100000748652_200025704644 [0,2,0,0,0,0|1,0,0]=3 3754 B12R1.511 [13CH3]C(=O)c1cc(cc(c1O)O)Br 1458a_200010196872_200025704644 [0,2,0,0,0,0|1,0,0]=3 3755 B12R1.893 C=C(C)c1ccc(c(c1O)C)F 271570a_100000694244_200010391124 [0,2,0,0,0,0|2,0,0]=4 3756 B12R1.893 C=C(C)c1ccc(c(c1O)F)C 271570a_100000694244_100000722096 [0,2,0,0,0,0|2,0,0]=4 3757 B12R1.893 C=C(C)c1ccc(c(c1O)F)F 271570a_100000694244_100010243909 [0,2,0,0,0,0|2,0,0]=4 3758 B12R1.893 CC(=O)c1ccc(c(c1Br)F)F 1458a_100012356454_200000210301 [0,2,0,0,0,0|2,0,0]=4 3759 B12R1.893 CC(=O)c1ccc(c(c1Br)O)Br 1458a_100016068111_200000210301 [0,2,0,0,0,0|2,0,0]=4 3760 B12R1.893 CC(=O)c1ccc(c(c1C)F)F 1458a_100000061971_200000210301 [0,2,0,0,0,0|2,0,0]=4 3761 B12R1.893 CC(=O)c1ccc(c(c1Cl)Br)Cl 1458a_100010208263_200000210301 [0,2,0,0,0,0|2,0,0]=4 3762 B12R1.893 CC(=O)c1ccc(c(c1Cl)C)Cl 1458a_100010074829_200000210301 [0,2,0,0,0,0|2,0,0]=4 3763 B12R1.893 CC(=O)c1ccc(c(c1Cl)C)F 1458a_100000061447_200000210301 [0,2,0,0,0,0|2,0,0]=4 3764 B12R1.893 CC(=O)c1ccc(c(c1Cl)Cl)Br 1458a_200012347731_200000210301 [0,2,0,0,0,0|2,0,0]=4 3765 B12R1.893 CC(=O)c1ccc(c(c1Cl)Cl)F 1458a_100010209669_200000210301 [0,2,0,0,0,0|2,0,0]=4 3766 B12R1.893 CC(=O)c1ccc(c(c1Cl)F)Cl 1458a_200010192171_200000210301 [0,2,0,0,0,0|2,0,0]=4 3767 B12R1.893 CC(=O)c1ccc(c(c1Cl)F)F 1458a_100009888510_200000210301 [0,2,0,0,0,0|2,0,0]=4 3768 B12R1.893 CC(=O)c1ccc(c(c1Cl)O)O 1458a_100009910189_200000210301 [0,2,0,0,0,0|2,0,0]=4 3769 B12R1.893 CC(=O)c1ccc(c(c1F)Br)Br 1458a_200016032200_200000210301 [0,2,0,0,0,0|2,0,0]=4 3770 B12R1.893 CC(=O)c1ccc(c(c1F)Br)F 1458a_100010204296_200000210301 [0,2,0,0,0,0|2,0,0]=4 3771 B12R1.893 CC(=O)c1ccc(c(c1F)C)Br 1458a_100000722919_200000210301 [0,2,0,0,0,0|2,0,0]=4 3772 B12R1.893 CC(=O)c1ccc(c(c1F)C)C 1458a_100010768504_200000210301 [0,2,0,0,0,0|2,0,0]=4 3773 B12R1.893 CC(=O)c1ccc(c(c1F)C)Cl 1458a_100012183103_200000210301 [0,2,0,0,0,0|2,0,0]=4 3774 B12R1.893 CC(=O)c1ccc(c(c1F)C)F 1458a_100000067293_200000210301 [0,2,0,0,0,0|2,0,0]=4 3775 B12R1.893 CC(=O)c1ccc(c(c1F)Cl)Br 1458a_100000719840_200000210301 [0,2,0,0,0,0|2,0,0]=4 3776 B12R1.893 CC(=O)c1ccc(c(c1F)Cl)C 1458a_100000722910_200000210301 [0,2,0,0,0,0|2,0,0]=4 3777 B12R1.893 CC(=O)c1ccc(c(c1F)Cl)F 1458a_100000034381_200000210301 [0,2,0,0,0,0|2,0,0]=4 3778 B12R1.893 CC(=O)c1ccc(c(c1F)F)Br 1458a_100009816880_200000210301 [0,2,0,0,0,0|2,0,0]=4 3779 B12R1.893 CC(=O)c1ccc(c(c1F)F)C 1458a_100011219789_200000210301 [0,2,0,0,0,0|2,0,0]=4 3780 B12R1.893 CC(=O)c1ccc(c(c1F)F)Cl 1458a_100000085317_200000210301 [0,2,0,0,0,0|2,0,0]=4 3781 B12R1.893 CC(=O)c1ccc(c(c1F)F)F 1458a_100000766628_200000210301 [0,2,0,0,0,0|2,0,0]=4 3782 B12R1.893 CC(=O)c1ccc(c(c1F)F)I 1458a_100010177778_200000210301 [0,2,0,0,0,0|2,0,0]=4 3783 B12R1.893 CC(=O)c1ccc(c(c1F)F)O 1458a_100000036740_200000210301 [0,2,0,0,0,0|2,0,0]=4 3784 B12R1.893 CC(=O)c1ccc(c(c1F)F)O 271570a_203496583355_100010174444 [0,2,0,0,0,0|2,0,0]=4 3785 B12R1.893 CC(=O)c1ccc(c(c1F)O)F 1458a_100000084588_200000210301 [0,2,0,0,0,0|2,0,0]=4 3786 B12R1.893 CC(=O)c1ccc(c(c1F)O)F 271570a_203496583355_100010179980 [0,2,0,0,0,0|2,0,0]=4 3787 B12R1.893 CC(=O)c1ccc(c(c1I)C)C 1458a_100010188221_200000210301 [0,2,0,0,0,0|2,0,0]=4 3788 B12R1.893 CC(=O)c1ccc(c(c1O)C)C 1458a_100000742916_200000210301 [0,2,0,0,0,0|1,0,0]=3 3789 B12R1.893 CC(=O)c1ccc(c(c1O)F)Br 1458a_100010761495_200000210301 [0,2,0,0,0,0|1,0,0]=3 3790 B12R1.893 CC(=O)c1ccc(c(c1O)F)F 1458a_100011799213_200000210301 [0,2,0,0,0,0|1,0,0]=3 3791 B12R1.893 CC(=O)c1ccc(c(c1O)F)F 271570a_203496583355_200013857550 [0,2,0,0,0,0|1,0,0]=3 3792 B12R1.893 CC(=O)c1ccc(c(c1O)O)O 1458a_100000037941_200000210301 [0,2,0,0,0,0|1,0,0]=3 3793 B12R1.893 Cc1c(ccc(c1Cl)C(=O)[13CH3])Cl 1458a_100010074829_200025704644 [0,2,0,0,0,0|2,0,0]=4 3794 B12R1.893 Cc1c(ccc(c1Cl)C(=O)[13CH3])F 1458a_100000061447_200025704644 [0,2,0,0,0,0|2,0,0]=4 3795 B12R1.893 Cc1c(ccc(c1F)C(=O)[13CH3])Br 1458a_100000722919_200025704644 [0,2,0,0,0,0|2,0,0]=4 3796 B12R1.893 Cc1c(ccc(c1F)C(=O)[13CH3])Cl 1458a_100012183103_200025704644 [0,2,0,0,0,0|2,0,0]=4 3797 B12R1.893 Cc1c(ccc(c1F)C(=O)[13CH3])F 1458a_100000067293_200025704644 [0,2,0,0,0,0|2,0,0]=4 3798 B12R1.893 Cc1c(ccc(c1F)F)C(=O)[13CH3] 1458a_100000061971_200025704644 [0,2,0,0,0,0|2,0,0]=4 3799 B12R1.893 Cc1ccc(c(c1C)F)C(=O)[13CH3] 1458a_100010768504_200025704644 [0,2,0,0,0,0|2,0,0]=4 3800 B12R1.893 Cc1ccc(c(c1C)I)C(=O)[13CH3] 1458a_100010188221_200025704644 [0,2,0,0,0,0|2,0,0]=4 3801 B12R1.893 Cc1ccc(c(c1C)O)C(=O)[13CH3] 1458a_100000742916_200025704644 [0,2,0,0,0,0|1,0,0]=3 3802 B12R1.893 Cc1ccc(c(c1Cl)F)C(=O)[13CH3] 1458a_100000722910_200025704644 [0,2,0,0,0,0|2,0,0]=4 3803 B12R1.893 Cc1ccc(c(c1F)F)C(=O)[13CH3] 1458a_100011219789_200025704644 [0,2,0,0,0,0|2,0,0]=4 3804 B12R1.893 [13CH3]C(=O)c1ccc(c(c1Br)F)F 1458a_100012356454_200025704644 [0,2,0,0,0,0|2,0,0]=4 3805 B12R1.893 [13CH3]C(=O)c1ccc(c(c1Br)O)Br 1458a_100016068111_200025704644 [0,2,0,0,0,0|2,0,0]=4 3806 B12R1.893 [13CH3]C(=O)c1ccc(c(c1Cl)Br)Cl 1458a_100010208263_200025704644 [0,2,0,0,0,0|2,0,0]=4 3807 B12R1.893 [13CH3]C(=O)c1ccc(c(c1Cl)Cl)Br 1458a_200012347731_200025704644 [0,2,0,0,0,0|2,0,0]=4 3808 B12R1.893 [13CH3]C(=O)c1ccc(c(c1Cl)Cl)F 1458a_100010209669_200025704644 [0,2,0,0,0,0|2,0,0]=4 3809 B12R1.893 [13CH3]C(=O)c1ccc(c(c1Cl)F)Cl 1458a_200010192171_200025704644 [0,2,0,0,0,0|2,0,0]=4 3810 B12R1.893 [13CH3]C(=O)c1ccc(c(c1Cl)F)F 1458a_100009888510_200025704644 [0,2,0,0,0,0|2,0,0]=4 3811 B12R1.893 [13CH3]C(=O)c1ccc(c(c1Cl)O)O 1458a_100009910189_200025704644 [0,2,0,0,0,0|2,0,0]=4 3812 B12R1.893 [13CH3]C(=O)c1ccc(c(c1F)Br)Br 1458a_200016032200_200025704644 [0,2,0,0,0,0|2,0,0]=4 3813 B12R1.893 [13CH3]C(=O)c1ccc(c(c1F)Br)F 1458a_100010204296_200025704644 [0,2,0,0,0,0|2,0,0]=4 3814 B12R1.893 [13CH3]C(=O)c1ccc(c(c1F)Cl)Br 1458a_100000719840_200025704644 [0,2,0,0,0,0|2,0,0]=4 3815 B12R1.893 [13CH3]C(=O)c1ccc(c(c1F)Cl)F 1458a_100000034381_200025704644 [0,2,0,0,0,0|2,0,0]=4 3816 B12R1.893 [13CH3]C(=O)c1ccc(c(c1F)F)Br 1458a_100009816880_200025704644 [0,2,0,0,0,0|2,0,0]=4 3817 B12R1.893 [13CH3]C(=O)c1ccc(c(c1F)F)Cl 1458a_100000085317_200025704644 [0,2,0,0,0,0|2,0,0]=4 3818 B12R1.893 [13CH3]C(=O)c1ccc(c(c1F)F)F 1458a_100000766628_200025704644 [0,2,0,0,0,0|2,0,0]=4 3819 B12R1.893 [13CH3]C(=O)c1ccc(c(c1F)F)I 1458a_100010177778_200025704644 [0,2,0,0,0,0|2,0,0]=4 3820 B12R1.893 [13CH3]C(=O)c1ccc(c(c1F)F)O 1458a_100000036740_200025704644 [0,2,0,0,0,0|2,0,0]=4 3821 B12R1.893 [13CH3]C(=O)c1ccc(c(c1F)O)F 1458a_100000084588_200025704644 [0,2,0,0,0,0|2,0,0]=4 3822 B12R1.893 [13CH3]C(=O)c1ccc(c(c1O)F)Br 1458a_100010761495_200025704644 [0,2,0,0,0,0|1,0,0]=3 3823 B12R1.893 [13CH3]C(=O)c1ccc(c(c1O)F)F 1458a_100011799213_200025704644 [0,2,0,0,0,0|1,0,0]=3 3824 B12R1.893 [13CH3]C(=O)c1ccc(c(c1O)O)O 1458a_100000037941_200025704644 [0,2,0,0,0,0|1,0,0]=3 3825 B12R1.232 C=C(C)c1cc(c(cc1O)C)C 271570a_100000694244_100009814663 [0,2,0,0,0,0|2,0,0]=4 3826 B12R1.232 C=C(C)c1cc(c(cc1O)F)F 271570a_100000694244_100009813768 [0,2,0,0,0,0|2,0,0]=4 3827 B12R1.232 CC(=O)c1cc(c(cc1Br)C)F 1458a_200012355688_200000210301 [0,2,0,0,0,0|2,0,0]=4 3828 B12R1.232 CC(=O)c1cc(c(cc1Br)F)C 1458a_100010204433_200000210301 [0,2,0,0,0,0|2,0,0]=4 3829 B12R1.232 CC(=O)c1cc(c(cc1Br)F)Cl 1458a_100012921620_200000210301 [0,2,0,0,0,0|2,0,0]=4 3830 B12R1.232 CC(=O)c1cc(c(cc1Br)F)F 1458a_100000685074_200000210301 [0,2,0,0,0,0|2,0,0]=4 3831 B12R1.232 CC(=O)c1cc(c(cc1C)Br)C 1458a_100000695896_200000210301 [0,2,0,0,0,0|2,0,0]=4 3832 B12R1.232 CC(=O)c1cc(c(cc1C)Br)F 1458a_100012344525_200000210301 [0,2,0,0,0,0|2,0,0]=4 3833 B12R1.232 CC(=O)c1cc(c(cc1C)C)Br 1458a_100012920494_200000210301 [0,2,0,0,0,0|2,0,0]=4 3834 B12R1.232 CC(=O)c1cc(c(cc1C)C)C 1458a_100011216168_200000210301 [0,2,0,0,0,0|2,0,0]=4 3835 B12R1.232 CC(=O)c1cc(c(cc1C)C)I 1458a_100000723791_200000210301 [0,2,0,0,0,0|2,0,0]=4 3836 B12R1.232 CC(=O)c1cc(c(cc1C)Cl)Cl 1458a_100010439669_200000210301 [0,2,0,0,0,0|2,0,0]=4 3837 B12R1.232 CC(=O)c1cc(c(cc1C)Cl)F 1458a_200010768543_200000210301 [0,2,0,0,0,0|2,0,0]=4 3838 B12R1.232 CC(=O)c1cc(c(cc1C)F)Br 1458a_100000724332_200000210301 [0,2,0,0,0,0|2,0,0]=4 3839 B12R1.232 CC(=O)c1cc(c(cc1C)F)F 1458a_100000062099_200000210301 [0,2,0,0,0,0|2,0,0]=4 3840 B12R1.232 CC(=O)c1cc(c(cc1C)F)I 1458a_100013328184_200000210301 [0,2,0,0,0,0|2,0,0]=4 3841 B12R1.232 CC(=O)c1cc(c(cc1Cl)Br)Cl 1458a_100000246132_200000210301 [0,2,0,0,0,0|2,0,0]=4 3842 B12R1.232 CC(=O)c1cc(c(cc1Cl)Br)F 1458a_100000724438_200000210301 [0,2,0,0,0,0|2,0,0]=4 3843 B12R1.232 CC(=O)c1cc(c(cc1Cl)C)Cl 1458a_100013033594_200000210301 [0,2,0,0,0,0|2,0,0]=4 3844 B12R1.232 CC(=O)c1cc(c(cc1Cl)C)F 1458a_100009857485_200000210301 [0,2,0,0,0,0|2,0,0]=4 3845 B12R1.232 CC(=O)c1cc(c(cc1Cl)Cl)Cl 1458a_100011934218_200000210301 [0,2,0,0,0,0|2,0,0]=4 3846 B12R1.232 CC(=O)c1cc(c(cc1Cl)Cl)F 1458a_100000212284_200000210301 [0,2,0,0,0,0|2,0,0]=4 3847 B12R1.232 CC(=O)c1cc(c(cc1Cl)F)C 1458a_100000687843_200000210301 [0,2,0,0,0,0|2,0,0]=4 3848 B12R1.232 CC(=O)c1cc(c(cc1Cl)F)F 1458a_100025704182_200000210301 [0,2,0,0,0,0|2,0,0]=4 3849 B12R1.232 CC(=O)c1cc(c(cc1Cl)F)I 1458a_100012920486_200000210301 [0,2,0,0,0,0|2,0,0]=4 3850 B12R1.232 CC(=O)c1cc(c(cc1F)Br)Br 1458a_200011217225_200000210301 [0,2,0,0,0,0|2,0,0]=4 3851 B12R1.232 CC(=O)c1cc(c(cc1F)Br)C 1458a_100012354683_200000210301 [0,2,0,0,0,0|2,0,0]=4 3852 B12R1.232 CC(=O)c1cc(c(cc1F)Br)Cl 1458a_100012347732_200000210301 [0,2,0,0,0,0|2,0,0]=4 3853 B12R1.232 CC(=O)c1cc(c(cc1F)Br)F 1458a_100012024349_200000210301 [0,2,0,0,0,0|2,0,0]=4 3854 B12R1.232 CC(=O)c1cc(c(cc1F)C)Br 1458a_100012920545_200000210301 [0,2,0,0,0,0|2,0,0]=4 3855 B12R1.232 CC(=O)c1cc(c(cc1F)C)Cl 1458a_100012180961_200000210301 [0,2,0,0,0,0|2,0,0]=4 3856 B12R1.232 CC(=O)c1cc(c(cc1F)C)F 1458a_100000686409_200000210301 [0,2,0,0,0,0|2,0,0]=4 3857 B12R1.232 CC(=O)c1cc(c(cc1F)C)O 1458a_100009839767_200000210301 [0,2,0,0,0,0|2,0,0]=4 3858 B12R1.232 CC(=O)c1cc(c(cc1F)Cl)Br 1458a_100011217226_200000210301 [0,2,0,0,0,0|2,0,0]=4 3859 B12R1.232 CC(=O)c1cc(c(cc1F)Cl)Cl 1458a_100011217469_200000210301 [0,2,0,0,0,0|2,0,0]=4 3860 B12R1.232 CC(=O)c1cc(c(cc1F)Cl)F 1458a_100000690020_200000210301 [0,2,0,0,0,0|2,0,0]=4 3861 B12R1.232 CC(=O)c1cc(c(cc1F)Cl)I 1458a_100012920488_200000210301 [0,2,0,0,0,0|2,0,0]=4 3862 B12R1.232 CC(=O)c1cc(c(cc1F)F)Br 1458a_100000718434_200000210301 [0,2,0,0,0,0|2,0,0]=4 3863 B12R1.232 CC(=O)c1cc(c(cc1F)F)C 1458a_100000767126_200000210301 [0,2,0,0,0,0|2,0,0]=4 3864 B12R1.232 CC(=O)c1cc(c(cc1F)F)Cl 1458a_100011997751_200000210301 [0,2,0,0,0,0|2,0,0]=4 3865 B12R1.232 CC(=O)c1cc(c(cc1F)F)F 1458a_100000687535_200000210301 [0,2,0,0,0,0|2,0,0]=4 3866 B12R1.232 CC(=O)c1cc(c(cc1F)F)I 1458a_100000691139_200000210301 [0,2,0,0,0,0|2,0,0]=4 3867 B12R1.232 CC(=O)c1cc(c(cc1F)F)O 271570a_203496583355_100009817148 [0,2,0,0,0,0|2,0,0]=4 3868 B12R1.232 CC(=O)c1cc(c(cc1F)O)Cl 1458a_200009924051_200000210301 [0,2,0,0,0,0|2,0,0]=4 3869 B12R1.232 CC(=O)c1cc(c(cc1F)O)F 271570a_203496583355_100012024335 [0,2,0,0,0,0|2,0,0]=4 3870 B12R1.232 CC(=O)c1cc(c(cc1I)C)C 1458a_100010184404_200000210301 [0,2,0,0,0,0|2,0,0]=4 3871 B12R1.232 CC(=O)c1cc(c(cc1I)F)F 1458a_100000688017_200000210301 [0,2,0,0,0,0|2,0,0]=4 3872 B12R1.232 CC(=O)c1cc(c(cc1O)Br)F 1458a_100010827371_200000210301 [0,2,0,0,0,0|1,0,0]=3 3873 B12R1.232 CC(=O)c1cc(c(cc1O)C)Br 1458a_100010233826_200000210301 [0,2,0,0,0,0|1,0,0]=3 3874 B12R1.232 CC(=O)c1cc(c(cc1O)C)C 1458a_100009831561_200000210301 [0,2,0,0,0,0|1,0,0]=3 3875 B12R1.232 CC(=O)c1cc(c(cc1O)C)O 271570a_203496583355_200010233951 [0,2,0,0,0,0|1,0,0]=3 3876 B12R1.232 CC(=O)c1cc(c(cc1O)Cl)Br 1458a_200009814723_200000210301 [0,2,0,0,0,0|1,0,0]=3 3877 B12R1.232 CC(=O)c1cc(c(cc1O)F)Br 1458a_100010188153_200000210301 [0,2,0,0,0,0|1,0,0]=3 3878 B12R1.232 CC(=O)c1cc(c(cc1O)F)Cl 1458a_100009910333_200000210301 [0,2,0,0,0,0|1,0,0]=3 3879 B12R1.232 CC(=O)c1cc(c(cc1O)F)F 1458a_100012182723_200000210301 [0,2,0,0,0,0|1,0,0]=3 3880 B12R1.232 CC(=O)c1cc(c(cc1O)F)F 271570a_203496583355_100013243444 [0,2,0,0,0,0|1,0,0]=3 3881 B12R1.232 CC(=O)c1cc(c(cc1O)F)O 271570a_203496583355_100000691652 [0,2,0,0,0,0|1,0,0]=3 3882 B12R1.232 CC(=O)c1cc(c(cc1O)O)Br 1458a_100009813906_200000210301 [0,2,0,0,0,0|1,0,0]=3 3883 B12R1.232 CC(=O)c1cc(c(cc1O)O)C 271570a_203496583355_100009816031 [0,2,0,0,0,0|1,0,0]=3 3884 B12R1.232 CC(=O)c1cc(c(cc1O)O)F 271570a_203496583355_200010245088 [0,2,0,0,0,0|1,0,0]=3 3885 B12R1.232 Cc1cc(c(cc1Br)C(=O)[13CH3])C 1458a_100012920494_200025704644 [0,2,0,0,0,0|2,0,0]=4 3886 B12R1.232 Cc1cc(c(cc1Br)C(=O)[13CH3])F 1458a_100012920545_200025704644 [0,2,0,0,0,0|2,0,0]=4 3887 B12R1.232 Cc1cc(c(cc1Br)C(=O)[13CH3])O 1458a_100010233826_200025704644 [0,2,0,0,0,0|1,0,0]=3 3888 B12R1.232 Cc1cc(c(cc1Br)C)C(=O)[13CH3] 1458a_100000695896_200025704644 [0,2,0,0,0,0|2,0,0]=4 3889 B12R1.232 Cc1cc(c(cc1Br)F)C(=O)[13CH3] 1458a_100012354683_200025704644 [0,2,0,0,0,0|2,0,0]=4 3890 B12R1.232 Cc1cc(c(cc1C(=O)[13CH3])Br)F 1458a_100000724332_200025704644 [0,2,0,0,0,0|2,0,0]=4 3891 B12R1.232 Cc1cc(c(cc1C(=O)[13CH3])Cl)Cl 1458a_100010439669_200025704644 [0,2,0,0,0,0|2,0,0]=4 3892 B12R1.232 Cc1cc(c(cc1C(=O)[13CH3])F)Br 1458a_100012344525_200025704644 [0,2,0,0,0,0|2,0,0]=4 3893 B12R1.232 Cc1cc(c(cc1C(=O)[13CH3])F)Cl 1458a_200010768543_200025704644 [0,2,0,0,0,0|2,0,0]=4 3894 B12R1.232 Cc1cc(c(cc1C(=O)[13CH3])F)F 1458a_100000062099_200025704644 [0,2,0,0,0,0|2,0,0]=4 3895 B12R1.232 Cc1cc(c(cc1C(=O)[13CH3])I)F 1458a_100013328184_200025704644 [0,2,0,0,0,0|2,0,0]=4 3896 B12R1.232 Cc1cc(c(cc1C)B(O)O)O 271570a_203496583355_200134766076 [0,2,0,0,0,0|1,0,1]=4 3897 B12R1.232 Cc1cc(c(cc1C)C(=O)[13CH3])C 1458a_100011216168_200025704644 [0,2,0,0,0,0|2,0,0]=4 3898 B12R1.232 Cc1cc(c(cc1C)C(=O)[13CH3])I 1458a_100010184404_200025704644 [0,2,0,0,0,0|2,0,0]=4 3899 B12R1.232 Cc1cc(c(cc1C)C(=O)[13CH3])O 1458a_100009831561_200025704644 [0,2,0,0,0,0|1,0,0]=3 3900 B12R1.232 Cc1cc(c(cc1Cl)C(=O)[13CH3])Cl 1458a_100013033594_200025704644 [0,2,0,0,0,0|2,0,0]=4 3901 B12R1.232 Cc1cc(c(cc1Cl)C(=O)[13CH3])F 1458a_100012180961_200025704644 [0,2,0,0,0,0|2,0,0]=4 3902 B12R1.232 Cc1cc(c(cc1F)Br)C(=O)[13CH3] 1458a_100010204433_200025704644 [0,2,0,0,0,0|2,0,0]=4 3903 B12R1.232 Cc1cc(c(cc1F)C(=O)[13CH3])Br 1458a_200012355688_200025704644 [0,2,0,0,0,0|2,0,0]=4 3904 B12R1.232 Cc1cc(c(cc1F)C(=O)[13CH3])Cl 1458a_100009857485_200025704644 [0,2,0,0,0,0|2,0,0]=4 3905 B12R1.232 Cc1cc(c(cc1F)C(=O)[13CH3])F 1458a_100000686409_200025704644 [0,2,0,0,0,0|2,0,0]=4 3906 B12R1.232 Cc1cc(c(cc1F)Cl)C(=O)[13CH3] 1458a_100000687843_200025704644 [0,2,0,0,0,0|2,0,0]=4 3907 B12R1.232 Cc1cc(c(cc1F)F)C(=O)[13CH3] 1458a_100000767126_200025704644 [0,2,0,0,0,0|2,0,0]=4 3908 B12R1.232 Cc1cc(c(cc1I)C(=O)[13CH3])C 1458a_100000723791_200025704644 [0,2,0,0,0,0|2,0,0]=4 3909 B12R1.232 Cc1cc(c(cc1O)C(=O)[13CH3])F 1458a_100009839767_200025704644 [0,2,0,0,0,0|2,0,0]=4 3910 B12R1.232 NC(=O)c1cc(c(cc1F)F)O 271570a_203496583355_100015235948 [0,2,0,0,0,0|2,0,0]=4 3911 B12R1.232 NC(=O)c1cc(c(cc1F)O)F 271570a_203496583355_100010244962 [0,2,0,0,0,0|2,0,0]=4 3912 B12R1.232 NC(=O)c1cc(c(cc1N)F)O 271570a_203496583355_100015444839 [0,2,0,0,0,0|2,0,0]=4 3913 B12R1.232 OB(O)c1cc(c(cc1O)F)F 271570a_203496583355_100009814742 [0,2,0,0,0,0|1,0,1]=4 3914 B12R1.232 [13CH3]C(=O)c1cc(c(cc1Br)F)Cl 1458a_100012921620_200025704644 [0,2,0,0,0,0|2,0,0]=4 3915 B12R1.232 [13CH3]C(=O)c1cc(c(cc1Br)F)F 1458a_100000685074_200025704644 [0,2,0,0,0,0|2,0,0]=4 3916 B12R1.232 [13CH3]C(=O)c1cc(c(cc1Cl)Br)Cl 1458a_100000246132_200025704644 [0,2,0,0,0,0|2,0,0]=4 3917 B12R1.232 [13CH3]C(=O)c1cc(c(cc1Cl)Br)F 1458a_100000724438_200025704644 [0,2,0,0,0,0|2,0,0]=4 3918 B12R1.232 [13CH3]C(=O)c1cc(c(cc1Cl)Cl)Cl 1458a_100011934218_200025704644 [0,2,0,0,0,0|2,0,0]=4 3919 B12R1.232 [13CH3]C(=O)c1cc(c(cc1Cl)Cl)F 1458a_100000212284_200025704644 [0,2,0,0,0,0|2,0,0]=4 3920 B12R1.232 [13CH3]C(=O)c1cc(c(cc1Cl)F)F 1458a_100025704182_200025704644 [0,2,0,0,0,0|2,0,0]=4 3921 B12R1.232 [13CH3]C(=O)c1cc(c(cc1Cl)F)I 1458a_100012920486_200025704644 [0,2,0,0,0,0|2,0,0]=4 3922 B12R1.232 [13CH3]C(=O)c1cc(c(cc1F)Br)Br 1458a_200011217225_200025704644 [0,2,0,0,0,0|2,0,0]=4 3923 B12R1.232 [13CH3]C(=O)c1cc(c(cc1F)Br)Cl 1458a_100012347732_200025704644 [0,2,0,0,0,0|2,0,0]=4 3924 B12R1.232 [13CH3]C(=O)c1cc(c(cc1F)Br)F 1458a_100012024349_200025704644 [0,2,0,0,0,0|2,0,0]=4 3925 B12R1.232 [13CH3]C(=O)c1cc(c(cc1F)Cl)Br 1458a_100011217226_200025704644 [0,2,0,0,0,0|2,0,0]=4 3926 B12R1.232 [13CH3]C(=O)c1cc(c(cc1F)Cl)Cl 1458a_100011217469_200025704644 [0,2,0,0,0,0|2,0,0]=4 3927 B12R1.232 [13CH3]C(=O)c1cc(c(cc1F)Cl)F 1458a_100000690020_200025704644 [0,2,0,0,0,0|2,0,0]=4 3928 B12R1.232 [13CH3]C(=O)c1cc(c(cc1F)Cl)I 1458a_100012920488_200025704644 [0,2,0,0,0,0|2,0,0]=4 3929 B12R1.232 [13CH3]C(=O)c1cc(c(cc1F)F)Br 1458a_100000718434_200025704644 [0,2,0,0,0,0|2,0,0]=4 3930 B12R1.232 [13CH3]C(=O)c1cc(c(cc1F)F)Cl 1458a_100011997751_200025704644 [0,2,0,0,0,0|2,0,0]=4 3931 B12R1.232 [13CH3]C(=O)c1cc(c(cc1F)F)F 1458a_100000687535_200025704644 [0,2,0,0,0,0|2,0,0]=4 3932 B12R1.232 [13CH3]C(=O)c1cc(c(cc1F)F)I 1458a_100000691139_200025704644 [0,2,0,0,0,0|2,0,0]=4 3933 B12R1.232 [13CH3]C(=O)c1cc(c(cc1F)O)Cl 1458a_200009924051_200025704644 [0,2,0,0,0,0|2,0,0]=4 3934 B12R1.232 [13CH3]C(=O)c1cc(c(cc1I)F)F 1458a_100000688017_200025704644 [0,2,0,0,0,0|2,0,0]=4 3935 B12R1.232 [13CH3]C(=O)c1cc(c(cc1O)Br)F 1458a_100010827371_200025704644 [0,2,0,0,0,0|1,0,0]=3 3936 B12R1.232 [13CH3]C(=O)c1cc(c(cc1O)Cl)Br 1458a_200009814723_200025704644 [0,2,0,0,0,0|1,0,0]=3 3937 B12R1.232 [13CH3]C(=O)c1cc(c(cc1O)F)Br 1458a_100010188153_200025704644 [0,2,0,0,0,0|1,0,0]=3 3938 B12R1.232 [13CH3]C(=O)c1cc(c(cc1O)F)Cl 1458a_100009910333_200025704644 [0,2,0,0,0,0|1,0,0]=3 3939 B12R1.232 [13CH3]C(=O)c1cc(c(cc1O)F)F 1458a_100012182723_200025704644 [0,2,0,0,0,0|1,0,0]=3 3940 B12R1.232 [13CH3]C(=O)c1cc(c(cc1O)O)Br 1458a_100009813906_200025704644 [0,2,0,0,0,0|1,0,0]=3 3941 B12R1.452 C#Cc1ccc(c(c1)Cl)C(=O)C 1458a_100103168756_200000210301 [0,2,0,0,0,0|2,0,0]=4 3942 B12R1.452 C#Cc1ccc(c(c1)Cl)C(=O)[13CH3] 1458a_100103168756_200025704644 [0,2,0,0,0,0|2,0,0]=4 3943 B12R1.452 C=C(C)c1ccc(cc1O)C#N 271570a_100000694244_100000724445 [0,2,0,0,0,0|2,0,0]=4 3944 B12R1.452 C=C(C)c1ccc(cc1O)C=O 271570a_100000694244_100000041418 [0,2,0,0,0,0|2,0,0]=4 3945 B12R1.452 C=C(C)c1ccc(cc1O)CO 271570a_100000694244_100000049605 [0,2,0,0,0,0|2,0,0]=4 3946 B12R1.452 C=C(C)c1ccc(cc1O)OC 271570a_100000694244_100000719091 [0,2,0,0,0,0|2,0,0]=4 3947 B12R1.452 C=Cc1ccc(c(c1)Br)C(=O)N 271570a_100011290941_200010146565 [0,2,0,0,0,0|2,0,0]=4 3948 B12R1.452 C=Cc1ccc(c(c1)C)C(=O)C 271570a_100011290941_100012360112 [0,2,0,0,0,0|2,0,0]=4 3949 B12R1.452 C=Cc1ccc(c(c1)C)C(=O)N 271570a_100011290941_100011327924 [0,2,0,0,0,0|2,0,0]=4 3950 B12R1.452 C=Cc1ccc(c(c1)F)C(=O)C 271570a_100011290941_100000690205 [0,2,0,0,0,0|2,0,0]=4 3951 B12R1.452 C=Cc1ccc(c(c1)F)C(=O)N 271570a_100011290941_100000216903 [0,2,0,0,0,0|2,0,0]=4 3952 B12R1.452 C=Cc1ccc(c(c1)N)C(=O)C 271570a_100011290941_100011590516 [0,2,0,0,0,0|2,0,0]=4 3953 B12R1.452 C=Cc1ccc(c(c1)N)C(=O)N 271570a_100011290941_100012349972 [0,2,0,0,0,0|2,0,0]=4 3954 B12R1.452 C=Cc1ccc(c(c1)O)B(O)O 271570a_100011290941_100010158982 [0,2,0,0,0,0|1,0,1]=4 3955 B12R1.452 C=Cc1ccc(c(c1)O)C(=O)C 271570a_100011290941_100000188348 [0,2,0,0,0,0|1,0,0]=3 3956 B12R1.452 C=Cc1ccc(c(c1)O)C(=O)N 271570a_100011290941_100011550861 [0,2,0,0,0,0|1,0,0]=3 3957 B12R1.452 CC(=O)c1ccc(cc1Br)C#N 1458a_100010244945_200000210301 [0,2,0,0,0,0|2,0,0]=4 3958 B12R1.452 CC(=O)c1ccc(cc1Br)O[13CH3] 34a_100012340537_200025704644 [0,2,0,0,0,0|2,0,0]=4 3959 B12R1.452 CC(=O)c1ccc(cc1Br)O[13CH3] 7a_100012340537_200025704644 [0,2,0,0,0,0|2,0,0]=4 3960 B12R1.452 CC(=O)c1ccc(cc1C)C#N 1458a_100000691869_200000210301 [0,2,0,0,0,0|2,0,0]=4 3961 B12R1.452 CC(=O)c1ccc(cc1C)O[13CH3] 34a_100000702595_200025704644 [0,2,0,0,0,0|2,0,0]=4 3962 B12R1.452 CC(=O)c1ccc(cc1C)O[13CH3] 7a_100000702595_200025704644 [0,2,0,0,0,0|2,0,0]=4 3963 B12R1.452 CC(=O)c1ccc(cc1C)S[13CH3] 62a_100012360112_200025704644 [0,2,0,0,0,0|2,0,0]=4 3964 B12R1.452 CC(=O)c1ccc(cc1C)S[13CH3] 62a_200025704644_100012360112 [0,2,0,0,0,0|2,0,0]=4 3965 B12R1.452 CC(=O)c1ccc(cc1Cl)C#N 1458a_100000100588_200000210301 [0,2,0,0,0,0|2,0,0]=4 3966 B12R1.452 CC(=O)c1ccc(cc1Cl)CO 1458a_100015659073_200000210301 [0,2,0,0,0,0|2,0,0]=4 3967 B12R1.452 CC(=O)c1ccc(cc1Cl)O[13CH3] 34a_100011933989_200025704644 [0,2,0,0,0,0|2,0,0]=4 3968 B12R1.452 CC(=O)c1ccc(cc1Cl)O[13CH3] 7a_100011933989_200025704644 [0,2,0,0,0,0|2,0,0]=4 3969 B12R1.452 CC(=O)c1ccc(cc1F)C#N 1458a_100000238375_200000210301 [0,2,0,0,0,0|2,0,0]=4 3970 B12R1.452 CC(=O)c1ccc(cc1F)CO 1458a_100011934814_200000210301 [0,2,0,0,0,0|2,0,0]=4 3971 B12R1.452 CC(=O)c1ccc(cc1F)O[13CH3] 34a_100000752407_200025704644 [0,2,0,0,0,0|2,0,0]=4 3972 B12R1.452 CC(=O)c1ccc(cc1F)O[13CH3] 7a_100000752407_200025704644 [0,2,0,0,0,0|2,0,0]=4 3973 B12R1.452 CC(=O)c1ccc(cc1F)S[13CH3] 62a_100000690205_200025704644 [0,2,0,0,0,0|2,0,0]=4 3974 B12R1.452 CC(=O)c1ccc(cc1N)S[13CH3] 62a_100011590516_200025704644 [0,2,0,0,0,0|2,0,0]=4 3975 B12R1.452 CCc1ccc(c(c1)F)C(=O)C 1458a_200009867912_200000210301 [0,2,0,0,0,0|2,0,0]=4 3976 B12R1.452 CCc1ccc(c(c1)F)C(=O)[13CH3] 1458a_200009867912_200025704644 [0,2,0,0,0,0|2,0,0]=4 3977 B12R1.452 CNc1ccc(c(c1)Br)C(=O)N 27a_100102657272_200010146565 [0,2,0,0,0,0|2,0,0]=4 3978 B12R1.452 CNc1ccc(c(c1)C)C(=O)N 27a_100102657272_100011327924 [0,2,0,0,0,0|2,0,0]=4 3979 B12R1.452 CNc1ccc(c(c1)C)C(=O)N 34a_200000751758_200000210301 [0,2,0,0,0,0|2,0,0]=4 3980 B12R1.452 CNc1ccc(c(c1)C)C(=O)N 7a_200000751758_200000210301 [0,2,0,0,0,0|2,0,0]=4 3981 B12R1.452 CNc1ccc(c(c1)Cl)C(=O)N 34a_100000737725_200000210301 [0,2,0,0,0,0|2,0,0]=4 3982 B12R1.452 CNc1ccc(c(c1)Cl)C(=O)N 7a_100000737725_200000210301 [0,2,0,0,0,0|2,0,0]=4 3983 B12R1.452 CNc1ccc(c(c1)F)C(=O)C 27a_100102657272_100000690205 [0,2,0,0,0,0|2,0,0]=4 3984 B12R1.452 CNc1ccc(c(c1)F)C(=O)N 27a_100102657272_100000216903 [0,2,0,0,0,0|2,0,0]=4 3985 B12R1.452 CNc1ccc(c(c1)F)C(=O)N 34a_100000749959_200000210301 [0,2,0,0,0,0|2,0,0]=4 3986 B12R1.452 CNc1ccc(c(c1)F)C(=O)N 7a_100000749959_200000210301 [0,2,0,0,0,0|2,0,0]=4 3987 B12R1.452 CNc1ccc(c(c1)O)C(=O)N 34a_100000223280_200000210301 [0,2,0,0,0,0|1,0,0]=3 3988 B12R1.452 CNc1ccc(c(c1)O)C(=O)N 7a_100000223280_200000210301 [0,2,0,0,0,0|1,0,0]=3 3989 B12R1.452 COc1ccc(c(c1)Br)C(=O)C 1458a_100000748873_200000210301 [0,2,0,0,0,0|2,0,0]=4 3990 B12R1.452 COc1ccc(c(c1)Br)C(=O)C 34a_100012340537_200000210301 [0,2,0,0,0,0|2,0,0]=4 3991 B12R1.452 COc1ccc(c(c1)Br)C(=O)C 7a_100012340537_200000210301 [0,2,0,0,0,0|2,0,0]=4 3992 B12R1.452 COc1ccc(c(c1)Br)C(=O)[13CH3] 1458a_100000748873_200025704644 [0,2,0,0,0,0|2,0,0]=4 3993 B12R1.452 COc1ccc(c(c1)C)C(=O)C 1458a_100000763155_200000210301 [0,2,0,0,0,0|2,0,0]=4 3994 B12R1.452 COc1ccc(c(c1)C)C(=O)C 34a_100000702595_200000210301 [0,2,0,0,0,0|2,0,0]=4 3995 B12R1.452 COc1ccc(c(c1)C)C(=O)C 7a_100000702595_200000210301 [0,2,0,0,0,0|2,0,0]=4 3996 B12R1.452 COc1ccc(c(c1)C)C(=O)[13CH3] 1458a_100000763155_200025704644 [0,2,0,0,0,0|2,0,0]=4 3997 B12R1.452 COc1ccc(c(c1)Cl)C(=O)C 1458a_100000753557_200000210301 [0,2,0,0,0,0|2,0,0]=4 3998 B12R1.452 COc1ccc(c(c1)Cl)C(=O)C 34a_100011933989_200000210301 [0,2,0,0,0,0|2,0,0]=4 3999 B12R1.452 COc1ccc(c(c1)Cl)C(=O)C 7a_100011933989_200000210301 [0,2,0,0,0,0|2,0,0]=4 4000 B12R1.452 COc1ccc(c(c1)Cl)C(=O)N 34a_100011997949_200000210301 [0,2,0,0,0,0|2,0,0]=4 4001 B12R1.452 COc1ccc(c(c1)Cl)C(=O)N 7a_100011997949_200000210301 [0,2,0,0,0,0|2,0,0]=4 4002 B12R1.452 COc1ccc(c(c1)Cl)C(=O)[13CH3] 1458a_100000753557_200025704644 [0,2,0,0,0,0|2,0,0]=4 4003 B12R1.452 COc1ccc(c(c1)F)C(=O)C 1458a_100000198494_200000210301 [0,2,0,0,0,0|2,0,0]=4 4004 B12R1.452 COc1ccc(c(c1)F)C(=O)C 34a_100000752407_200000210301 [0,2,0,0,0,0|2,0,0]=4 4005 B12R1.452 COc1ccc(c(c1)F)C(=O)C 7a_100000752407_200000210301 [0,2,0,0,0,0|2,0,0]=4 4006 B12R1.452 COc1ccc(c(c1)F)C(=O)N 34a_200012186767_200000210301 [0,2,0,0,0,0|2,0,0]=4 4007 B12R1.452 COc1ccc(c(c1)F)C(=O)N 7a_200012186767_200000210301 [0,2,0,0,0,0|2,0,0]=4 4008 B12R1.452 COc1ccc(c(c1)F)C(=O)[13CH3] 1458a_100000198494_200025704644 [0,2,0,0,0,0|2,0,0]=4 4009 B12R1.452 COc1ccc(c(c1)I)C(=O)C 1458a_100000688016_200000210301 [0,2,0,0,0,0|2,0,0]=4 4010 B12R1.452 COc1ccc(c(c1)I)C(=O)[13CH3] 1458a_100000688016_200025704644 [0,2,0,0,0,0|2,0,0]=4 4011 B12R1.452 COc1ccc(c(c1)N)C(=O)N 34a_100012186684_200000210301 [0,2,0,0,0,0|2,0,0]=4 4012 B12R1.452 COc1ccc(c(c1)N)C(=O)N 7a_100012186684_200000210301 [0,2,0,0,0,0|2,0,0]=4 4013 B12R1.452 COc1ccc(c(c1)O)C(=O)C 1458a_100000212123_200000210301 [0,2,0,0,0,0|1,0,0]=3 4014 B12R1.452 COc1ccc(c(c1)O)C(=O)C 271570a_203496583355_100000697255 [0,2,0,0,0,0|1,0,0]=3 4015 B12R1.452 COc1ccc(c(c1)O)C(=O)N 271570a_203496583355_200009815664 [0,2,0,0,0,0|1,0,0]=3 4016 B12R1.452 COc1ccc(c(c1)O)C(=O)[13CH3] 1458a_100000212123_200025704644 [0,2,0,0,0,0|1,0,0]=3 4017 B12R1.452 COc1ccc(c(c1)O)C(C)O 271570a_203496583355_100000697252 [0,2,0,0,0,0|1,0,1]=4 4018 B12R1.452 CSc1ccc(c(c1)Br)C(=O)N 62a_200010146565_200000210301 [0,2,0,0,0,0|2,0,0]=4 4019 B12R1.452 CSc1ccc(c(c1)C)C(=O)C 1458a_100012278374_200000210301 [0,2,0,0,0,0|2,0,0]=4 4020 B12R1.452 CSc1ccc(c(c1)C)C(=O)C 62a_100012360112_200000210301 [0,2,0,0,0,0|2,0,0]=4 4021 B12R1.452 CSc1ccc(c(c1)C)C(=O)C 62a_200000210301_100012360112 [0,2,0,0,0,0|2,0,0]=4 4022 B12R1.452 CSc1ccc(c(c1)C)C(=O)N 62a_100011327924_200000210301 [0,2,0,0,0,0|2,0,0]=4 4023 B12R1.452 CSc1ccc(c(c1)C)C(=O)N 62a_200000210301_100011327924 [0,2,0,0,0,0|2,0,0]=4 4024 B12R1.452 CSc1ccc(c(c1)C)C(=O)[13CH3] 1458a_100012278374_200025704644 [0,2,0,0,0,0|2,0,0]=4 4025 B12R1.452 CSc1ccc(c(c1)F)C(=O)C 62a_100000690205_200000210301 [0,2,0,0,0,0|2,0,0]=4 4026 B12R1.452 CSc1ccc(c(c1)F)C(=O)N 62a_100000216903_200000210301 [0,2,0,0,0,0|2,0,0]=4 4027 B12R1.452 CSc1ccc(c(c1)N)C(=O)C 62a_100011590516_200000210301 [0,2,0,0,0,0|2,0,0]=4 4028 B12R1.452 CSc1ccc(c(c1)N)C(=O)N 62a_100012349972_200000210301 [0,2,0,0,0,0|2,0,0]=4 4029 B12R1.452 CSc1ccc(c(c1)O)B(O)O 62a_200000210301_100010158982 [0,2,0,0,0,0|1,0,1]=4 4030 B12R1.452 CSc1ccc(c(c1)O)C(=O)N 62a_100011550861_200000210301 [0,2,0,0,0,0|1,0,0]=3 4031 B12R1.452 Cc1cc(ccc1C(=O)N)N[13CH3] 34a_200000751758_200025704644 [0,2,0,0,0,0|2,0,0]=4 4032 B12R1.452 Cc1cc(ccc1C(=O)N)N[13CH3] 7a_200000751758_200025704644 [0,2,0,0,0,0|2,0,0]=4 4033 B12R1.452 Cc1cc(ccc1C(=O)N)S[13CH3] 62a_100011327924_200025704644 [0,2,0,0,0,0|2,0,0]=4 4034 B12R1.452 Cc1cc(ccc1C(=O)N)S[13CH3] 62a_200025704644_100011327924 [0,2,0,0,0,0|2,0,0]=4 4035 B12R1.452 Cc1cc(ccc1C(=O)[13CH3])C#N 1458a_100000691869_200025704644 [0,2,0,0,0,0|2,0,0]=4 4036 B12R1.452 [13CH3]C(=O)c1ccc(cc1Br)C#N 1458a_100010244945_200025704644 [0,2,0,0,0,0|2,0,0]=4 4037 B12R1.452 [13CH3]C(=O)c1ccc(cc1Cl)C#N 1458a_100000100588_200025704644 [0,2,0,0,0,0|2,0,0]=4 4038 B12R1.452 [13CH3]C(=O)c1ccc(cc1Cl)CO 1458a_100015659073_200025704644 [0,2,0,0,0,0|2,0,0]=4 4039 B12R1.452 [13CH3]C(=O)c1ccc(cc1F)C#N 1458a_100000238375_200025704644 [0,2,0,0,0,0|2,0,0]=4 4040 B12R1.452 [13CH3]C(=O)c1ccc(cc1F)CO 1458a_100011934814_200025704644 [0,2,0,0,0,0|2,0,0]=4 4041 B12R1.452 [13CH3]Nc1ccc(c(c1)Cl)C(=O)N 34a_100000737725_200025704644 [0,2,0,0,0,0|2,0,0]=4 4042 B12R1.452 [13CH3]Nc1ccc(c(c1)Cl)C(=O)N 7a_100000737725_200025704644 [0,2,0,0,0,0|2,0,0]=4 4043 B12R1.452 [13CH3]Nc1ccc(c(c1)F)C(=O)N 34a_100000749959_200025704644 [0,2,0,0,0,0|2,0,0]=4 4044 B12R1.452 [13CH3]Nc1ccc(c(c1)F)C(=O)N 7a_100000749959_200025704644 [0,2,0,0,0,0|2,0,0]=4 4045 B12R1.452 [13CH3]Nc1ccc(c(c1)O)C(=O)N 34a_100000223280_200025704644 [0,2,0,0,0,0|1,0,0]=3 4046 B12R1.452 [13CH3]Nc1ccc(c(c1)O)C(=O)N 7a_100000223280_200025704644 [0,2,0,0,0,0|1,0,0]=3 4047 B12R1.452 [13CH3]Oc1ccc(c(c1)Cl)C(=O)N 34a_100011997949_200025704644 [0,2,0,0,0,0|2,0,0]=4 4048 B12R1.452 [13CH3]Oc1ccc(c(c1)Cl)C(=O)N 7a_100011997949_200025704644 [0,2,0,0,0,0|2,0,0]=4 4049 B12R1.452 [13CH3]Oc1ccc(c(c1)F)C(=O)N 34a_200012186767_200025704644 [0,2,0,0,0,0|2,0,0]=4 4050 B12R1.452 [13CH3]Oc1ccc(c(c1)F)C(=O)N 7a_200012186767_200025704644 [0,2,0,0,0,0|2,0,0]=4 4051 B12R1.452 [13CH3]Oc1ccc(c(c1)N)C(=O)N 34a_100012186684_200025704644 [0,2,0,0,0,0|2,0,0]=4 4052 B12R1.452 [13CH3]Oc1ccc(c(c1)N)C(=O)N 7a_100012186684_200025704644 [0,2,0,0,0,0|2,0,0]=4 4053 B12R1.452 [13CH3]Sc1ccc(c(c1)Br)C(=O)N 62a_200010146565_200025704644 [0,2,0,0,0,0|2,0,0]=4 4054 B12R1.452 [13CH3]Sc1ccc(c(c1)F)C(=O)N 62a_100000216903_200025704644 [0,2,0,0,0,0|2,0,0]=4 4055 B12R1.452 [13CH3]Sc1ccc(c(c1)N)C(=O)N 62a_100012349972_200025704644 [0,2,0,0,0,0|2,0,0]=4 4056 B12R1.452 [13CH3]Sc1ccc(c(c1)O)B(O)O 62a_200025704644_100010158982 [0,2,0,0,0,0|1,0,1]=4 4057 B12R1.452 [13CH3]Sc1ccc(c(c1)O)C(=O)N 62a_100011550861_200025704644 [0,2,0,0,0,0|1,0,0]=3 4058 B12R1.1703 CCC(=O)c1ccc(cc1Br)Br 1458a_100000762965_100000210202 [0,2,0,0,0,0|2,0,0]=4 4059 B12R1.1703 CCC(=O)c1ccc(cc1Br)C 1458a_100000685072_100000210202 [0,2,0,0,0,0|2,0,0]=4 4060 B12R1.1703 CCC(=O)c1ccc(cc1Br)Cl 1458a_100000766353_100000210202 [0,2,0,0,0,0|2,0,0]=4 4061 B12R1.1703 CCC(=O)c1ccc(cc1Br)F 1458a_100000212304_100000210202 [0,2,0,0,0,0|2,0,0]=4 4062 B12R1.1703 CCC(=O)c1ccc(cc1Br)I 1458a_100012360512_100000210202 [0,2,0,0,0,0|2,0,0]=4 4063 B12R1.1703 CCC(=O)c1ccc(cc1Br)O 1458a_100012344906_100000210202 [0,2,0,0,0,0|2,0,0]=4 4064 B12R1.1703 CCC(=O)c1ccc(cc1C)Br 1458a_100000741311_100000210202 [0,2,0,0,0,0|2,0,0]=4 4065 B12R1.1703 CCC(=O)c1ccc(cc1C)C 1458a_100000211164_100000210202 [0,2,0,0,0,0|2,0,0]=4 4066 B12R1.1703 CCC(=O)c1ccc(cc1C)Cl 1458a_100000688705_100000210202 [0,2,0,0,0,0|2,0,0]=4 4067 B12R1.1703 CCC(=O)c1ccc(cc1C)F 1458a_100000686989_100000210202 [0,2,0,0,0,0|2,0,0]=4 4068 B12R1.1703 CCC(=O)c1ccc(cc1C)I 1458a_100010189873_100000210202 [0,2,0,0,0,0|2,0,0]=4 4069 B12R1.1703 CCC(=O)c1ccc(cc1C)O 1458a_100000692822_100000210202 [0,2,0,0,0,0|2,0,0]=4 4070 B12R1.1703 CCC(=O)c1ccc(cc1C)O 271570a_203496583355_200012361375 [0,2,0,0,0,0|2,0,0]=4 4071 B12R1.1703 CCC(=O)c1ccc(cc1Cl)Br 1458a_100000741628_100000210202 [0,2,0,0,0,0|2,0,0]=4 4072 B12R1.1703 CCC(=O)c1ccc(cc1Cl)C 1458a_100000766932_100000210202 [0,2,0,0,0,0|2,0,0]=4 4073 B12R1.1703 CCC(=O)c1ccc(cc1Cl)Cl 1458a_100000185840_100000210202 [0,2,0,0,0,0|2,0,0]=4 4074 B12R1.1703 CCC(=O)c1ccc(cc1Cl)F 1458a_100000211397_100000210202 [0,2,0,0,0,0|2,0,0]=4 4075 B12R1.1703 CCC(=O)c1ccc(cc1Cl)I 1458a_100000751301_100000210202 [0,2,0,0,0,0|2,0,0]=4 4076 B12R1.1703 CCC(=O)c1ccc(cc1Cl)O 1458a_100000702456_100000210202 [0,2,0,0,0,0|2,0,0]=4 4077 B12R1.1703 CCC(=O)c1ccc(cc1F)Br 1458a_100000214689_100000210202 [0,2,0,0,0,0|2,0,0]=4 4078 B12R1.1703 CCC(=O)c1ccc(cc1F)C 1458a_100000766033_100000210202 [0,2,0,0,0,0|2,0,0]=4 4079 B12R1.1703 CCC(=O)c1ccc(cc1F)Cl 1458a_100000212326_100000210202 [0,2,0,0,0,0|2,0,0]=4 4080 B12R1.1703 CCC(=O)c1ccc(cc1F)F 1458a_100000211022_100000210202 [0,2,0,0,0,0|2,0,0]=4 4081 B12R1.1703 CCC(=O)c1ccc(cc1F)I 1458a_100000037189_100000210202 [0,2,0,0,0,0|2,0,0]=4 4082 B12R1.1703 CCC(=O)c1ccc(cc1F)O 1458a_100000689029_100000210202 [0,2,0,0,0,0|2,0,0]=4 4083 B12R1.1703 CCC(=O)c1ccc(cc1F)O 271570a_203496583355_100012360378 [0,2,0,0,0,0|2,0,0]=4 4084 B12R1.1703 CCC(=O)c1ccc(cc1I)Br 1458a_100000751167_100000210202 [0,2,0,0,0,0|2,0,0]=4 4085 B12R1.1703 CCC(=O)c1ccc(cc1I)C 1458a_100009999607_100000210202 [0,2,0,0,0,0|2,0,0]=4 4086 B12R1.1703 CCC(=O)c1ccc(cc1I)Cl 1458a_100000739380_100000210202 [0,2,0,0,0,0|2,0,0]=4 4087 B12R1.1703 CCC(=O)c1ccc(cc1I)F 1458a_100000739341_100000210202 [0,2,0,0,0,0|2,0,0]=4 4088 B12R1.1703 CCC(=O)c1ccc(cc1O)Br 1458a_100000744433_100000210202 [0,2,0,0,0,0|1,0,0]=3 4089 B12R1.1703 CCC(=O)c1ccc(cc1O)C 1458a_100000212137_100000210202 [0,2,0,0,0,0|1,0,0]=3 4090 B12R1.1703 CCC(=O)c1ccc(cc1O)C 271570a_203496583355_200012349623 [0,2,0,0,0,0|1,0,0]=3 4091 B12R1.1703 CCC(=O)c1ccc(cc1O)Cl 1458a_100000188622_100000210202 [0,2,0,0,0,0|1,0,0]=3 4092 B12R1.1703 CCC(=O)c1ccc(cc1O)F 1458a_100000746061_100000210202 [0,2,0,0,0,0|1,0,0]=3 4093 B12R1.1703 CCC(=O)c1ccc(cc1O)I 1458a_100000091984_100000210202 [0,2,0,0,0,0|1,0,0]=3 4094 B12R1.1703 CCC(=O)c1ccc(cc1O)O 1458a_100000212172_100000210202 [0,2,0,0,0,0|1,0,0]=3 4095 B12R1.1703 CNC(=O)c1ccc(cc1Br)Br 11a_106832991635_100000762965 [0,2,0,0,0,0|2,0,0]=4 4096 B12R1.1703 CNC(=O)c1ccc(cc1Br)Br 1626a_100102657272_100000762965 [0,2,0,0,0,0|2,0,0]=4 4097 B12R1.1703 CNC(=O)c1ccc(cc1Br)Br 240690a_100102657272_100000762965 [0,2,0,0,0,0|2,0,0]=4 4098 B12R1.1703 CNC(=O)c1ccc(cc1Br)Br 527a_100102657272_100000762965 [0,2,0,0,0,0|2,0,0]=4 4099 B12R1.1703 CNC(=O)c1ccc(cc1Br)C 11a_106832991635_100000685072 [0,2,0,0,0,0|2,0,0]=4 4100 B12R1.1703 CNC(=O)c1ccc(cc1Br)C 1626a_100102657272_100000685072 [0,2,0,0,0,0|2,0,0]=4 4101 B12R1.1703 CNC(=O)c1ccc(cc1Br)C 240690a_100102657272_100000685072 [0,2,0,0,0,0|2,0,0]=4 4102 B12R1.1703 CNC(=O)c1ccc(cc1Br)C 527a_100102657272_100000685072 [0,2,0,0,0,0|2,0,0]=4 4103 B12R1.1703 CNC(=O)c1ccc(cc1Br)Cl 11a_106832991635_100000766353 [0,2,0,0,0,0|2,0,0]=4 4104 B12R1.1703 CNC(=O)c1ccc(cc1Br)Cl 1626a_100102657272_100000766353 [0,2,0,0,0,0|2,0,0]=4 4105 B12R1.1703 CNC(=O)c1ccc(cc1Br)Cl 240690a_100102657272_100000766353 [0,2,0,0,0,0|2,0,0]=4 4106 B12R1.1703 CNC(=O)c1ccc(cc1Br)Cl 527a_100102657272_100000766353 [0,2,0,0,0,0|2,0,0]=4 4107 B12R1.1703 CNC(=O)c1ccc(cc1Br)F 11a_106832991635_100000212304 [0,2,0,0,0,0|2,0,0]=4 4108 B12R1.1703 CNC(=O)c1ccc(cc1Br)F 1626a_100102657272_100000212304 [0,2,0,0,0,0|2,0,0]=4 4109 B12R1.1703 CNC(=O)c1ccc(cc1Br)F 240690a_100102657272_100000212304 [0,2,0,0,0,0|2,0,0]=4 4110 B12R1.1703 CNC(=O)c1ccc(cc1Br)F 527a_100102657272_100000212304 [0,2,0,0,0,0|2,0,0]=4 4111 B12R1.1703 CNC(=O)c1ccc(cc1Br)I 11a_106832991635_100012360512 [0,2,0,0,0,0|2,0,0]=4 4112 B12R1.1703 CNC(=O)c1ccc(cc1Br)I 1626a_100102657272_100012360512 [0,2,0,0,0,0|2,0,0]=4 4113 B12R1.1703 CNC(=O)c1ccc(cc1Br)I 240690a_100102657272_100012360512 [0,2,0,0,0,0|2,0,0]=4 4114 B12R1.1703 CNC(=O)c1ccc(cc1Br)I 527a_100102657272_100012360512 [0,2,0,0,0,0|2,0,0]=4 4115 B12R1.1703 CNC(=O)c1ccc(cc1Br)O 240690a_100102657272_100012344906 [0,2,0,0,0,0|2,0,0]=4 4116 B12R1.1703 CNC(=O)c1ccc(cc1Br)O 527a_100102657272_100012344906 [0,2,0,0,0,0|2,0,0]=4 4117 B12R1.1703 CNC(=O)c1ccc(cc1C)Br 11a_106832991635_100000741311 [0,2,0,0,0,0|2,0,0]=4 4118 B12R1.1703 CNC(=O)c1ccc(cc1C)Br 1626a_100102657272_100000741311 [0,2,0,0,0,0|2,0,0]=4 4119 B12R1.1703 CNC(=O)c1ccc(cc1C)Br 240690a_100102657272_100000741311 [0,2,0,0,0,0|2,0,0]=4 4120 B12R1.1703 CNC(=O)c1ccc(cc1C)Br 527a_100102657272_100000741311 [0,2,0,0,0,0|2,0,0]=4 4121 B12R1.1703 CNC(=O)c1ccc(cc1C)C 11a_106832991635_100000211164 [0,2,0,0,0,0|2,0,0]=4 4122 B12R1.1703 CNC(=O)c1ccc(cc1C)C 1626a_100102657272_100000211164 [0,2,0,0,0,0|2,0,0]=4 4123 B12R1.1703 CNC(=O)c1ccc(cc1C)C 240690a_100102657272_100000211164 [0,2,0,0,0,0|2,0,0]=4 4124 B12R1.1703 CNC(=O)c1ccc(cc1C)C 527a_100102657272_100000211164 [0,2,0,0,0,0|2,0,0]=4 4125 B12R1.1703 CNC(=O)c1ccc(cc1C)Cl 11a_106832991635_100000688705 [0,2,0,0,0,0|2,0,0]=4 4126 B12R1.1703 CNC(=O)c1ccc(cc1C)Cl 1626a_100102657272_100000688705 [0,2,0,0,0,0|2,0,0]=4 4127 B12R1.1703 CNC(=O)c1ccc(cc1C)Cl 240690a_100102657272_100000688705 [0,2,0,0,0,0|2,0,0]=4 4128 B12R1.1703 CNC(=O)c1ccc(cc1C)Cl 527a_100102657272_100000688705 [0,2,0,0,0,0|2,0,0]=4 4129 B12R1.1703 CNC(=O)c1ccc(cc1C)F 11a_106832991635_100000686989 [0,2,0,0,0,0|2,0,0]=4 4130 B12R1.1703 CNC(=O)c1ccc(cc1C)F 1626a_100102657272_100000686989 [0,2,0,0,0,0|2,0,0]=4 4131 B12R1.1703 CNC(=O)c1ccc(cc1C)F 240690a_100102657272_100000686989 [0,2,0,0,0,0|2,0,0]=4 4132 B12R1.1703 CNC(=O)c1ccc(cc1C)F 527a_100102657272_100000686989 [0,2,0,0,0,0|2,0,0]=4 4133 B12R1.1703 CNC(=O)c1ccc(cc1C)I 11a_106832991635_100010189873 [0,2,0,0,0,0|2,0,0]=4 4134 B12R1.1703 CNC(=O)c1ccc(cc1C)I 1626a_100102657272_100010189873 [0,2,0,0,0,0|2,0,0]=4 4135 B12R1.1703 CNC(=O)c1ccc(cc1C)I 240690a_100102657272_100010189873 [0,2,0,0,0,0|2,0,0]=4 4136 B12R1.1703 CNC(=O)c1ccc(cc1C)I 527a_100102657272_100010189873 [0,2,0,0,0,0|2,0,0]=4 4137 B12R1.1703 CNC(=O)c1ccc(cc1C)O 240690a_100102657272_100000692822 [0,2,0,0,0,0|2,0,0]=4 4138 B12R1.1703 CNC(=O)c1ccc(cc1C)O 527a_100102657272_100000692822 [0,2,0,0,0,0|2,0,0]=4 4139 B12R1.1703 CNC(=O)c1ccc(cc1Cl)Br 11a_106832991635_100000741628 [0,2,0,0,0,0|2,0,0]=4 4140 B12R1.1703 CNC(=O)c1ccc(cc1Cl)Br 1626a_100102657272_100000741628 [0,2,0,0,0,0|2,0,0]=4 4141 B12R1.1703 CNC(=O)c1ccc(cc1Cl)Br 240690a_100102657272_100000741628 [0,2,0,0,0,0|2,0,0]=4 4142 B12R1.1703 CNC(=O)c1ccc(cc1Cl)Br 527a_100102657272_100000741628 [0,2,0,0,0,0|2,0,0]=4 4143 B12R1.1703 CNC(=O)c1ccc(cc1Cl)C 11a_106832991635_100000766932 [0,2,0,0,0,0|2,0,0]=4 4144 B12R1.1703 CNC(=O)c1ccc(cc1Cl)C 1626a_100102657272_100000766932 [0,2,0,0,0,0|2,0,0]=4 4145 B12R1.1703 CNC(=O)c1ccc(cc1Cl)C 240690a_100102657272_100000766932 [0,2,0,0,0,0|2,0,0]=4 4146 B12R1.1703 CNC(=O)c1ccc(cc1Cl)C 527a_100102657272_100000766932 [0,2,0,0,0,0|2,0,0]=4 4147 B12R1.1703 CNC(=O)c1ccc(cc1Cl)Cl 11a_106832991635_100000185840 [0,2,0,0,0,0|2,0,0]=4 4148 B12R1.1703 CNC(=O)c1ccc(cc1Cl)Cl 1626a_100102657272_100000185840 [0,2,0,0,0,0|2,0,0]=4 4149 B12R1.1703 CNC(=O)c1ccc(cc1Cl)Cl 240690a_100102657272_100000185840 [0,2,0,0,0,0|2,0,0]=4 4150 B12R1.1703 CNC(=O)c1ccc(cc1Cl)Cl 527a_100102657272_100000185840 [0,2,0,0,0,0|2,0,0]=4 4151 B12R1.1703 CNC(=O)c1ccc(cc1Cl)F 11a_106832991635_100000211397 [0,2,0,0,0,0|2,0,0]=4 4152 B12R1.1703 CNC(=O)c1ccc(cc1Cl)F 1626a_100102657272_100000211397 [0,2,0,0,0,0|2,0,0]=4 4153 B12R1.1703 CNC(=O)c1ccc(cc1Cl)F 240690a_100102657272_100000211397 [0,2,0,0,0,0|2,0,0]=4 4154 B12R1.1703 CNC(=O)c1ccc(cc1Cl)F 527a_100102657272_100000211397 [0,2,0,0,0,0|2,0,0]=4 4155 B12R1.1703 CNC(=O)c1ccc(cc1Cl)I 11a_106832991635_100000751301 [0,2,0,0,0,0|2,0,0]=4 4156 B12R1.1703 CNC(=O)c1ccc(cc1Cl)I 1626a_100102657272_100000751301 [0,2,0,0,0,0|2,0,0]=4 4157 B12R1.1703 CNC(=O)c1ccc(cc1Cl)I 240690a_100102657272_100000751301 [0,2,0,0,0,0|2,0,0]=4 4158 B12R1.1703 CNC(=O)c1ccc(cc1Cl)I 527a_100102657272_100000751301 [0,2,0,0,0,0|2,0,0]=4 4159 B12R1.1703 CNC(=O)c1ccc(cc1Cl)O 240690a_100102657272_100000702456 [0,2,0,0,0,0|2,0,0]=4 4160 B12R1.1703 CNC(=O)c1ccc(cc1Cl)O 527a_100102657272_100000702456 [0,2,0,0,0,0|2,0,0]=4 4161 B12R1.1703 CNC(=O)c1ccc(cc1F)Br 11a_106832991635_100000214689 [0,2,0,0,0,0|2,0,0]=4 4162 B12R1.1703 CNC(=O)c1ccc(cc1F)Br 1626a_100102657272_100000214689 [0,2,0,0,0,0|2,0,0]=4 4163 B12R1.1703 CNC(=O)c1ccc(cc1F)Br 240690a_100102657272_100000214689 [0,2,0,0,0,0|2,0,0]=4 4164 B12R1.1703 CNC(=O)c1ccc(cc1F)Br 527a_100102657272_100000214689 [0,2,0,0,0,0|2,0,0]=4 4165 B12R1.1703 CNC(=O)c1ccc(cc1F)C 11a_106832991635_100000766033 [0,2,0,0,0,0|2,0,0]=4 4166 B12R1.1703 CNC(=O)c1ccc(cc1F)C 1626a_100102657272_100000766033 [0,2,0,0,0,0|2,0,0]=4 4167 B12R1.1703 CNC(=O)c1ccc(cc1F)C 240690a_100102657272_100000766033 [0,2,0,0,0,0|2,0,0]=4 4168 B12R1.1703 CNC(=O)c1ccc(cc1F)C 527a_100102657272_100000766033 [0,2,0,0,0,0|2,0,0]=4 4169 B12R1.1703 CNC(=O)c1ccc(cc1F)Cl 11a_106832991635_100000212326 [0,2,0,0,0,0|2,0,0]=4 4170 B12R1.1703 CNC(=O)c1ccc(cc1F)Cl 1626a_100102657272_100000212326 [0,2,0,0,0,0|2,0,0]=4 4171 B12R1.1703 CNC(=O)c1ccc(cc1F)Cl 240690a_100102657272_100000212326 [0,2,0,0,0,0|2,0,0]=4 4172 B12R1.1703 CNC(=O)c1ccc(cc1F)Cl 527a_100102657272_100000212326 [0,2,0,0,0,0|2,0,0]=4 4173 B12R1.1703 CNC(=O)c1ccc(cc1F)F 11a_106832991635_100000211022 [0,2,0,0,0,0|2,0,0]=4 4174 B12R1.1703 CNC(=O)c1ccc(cc1F)F 1626a_100102657272_100000211022 [0,2,0,0,0,0|2,0,0]=4 4175 B12R1.1703 CNC(=O)c1ccc(cc1F)F 240690a_100102657272_100000211022 [0,2,0,0,0,0|2,0,0]=4 4176 B12R1.1703 CNC(=O)c1ccc(cc1F)F 527a_100102657272_100000211022 [0,2,0,0,0,0|2,0,0]=4 4177 B12R1.1703 CNC(=O)c1ccc(cc1F)I 11a_106832991635_100000037189 [0,2,0,0,0,0|2,0,0]=4 4178 B12R1.1703 CNC(=O)c1ccc(cc1F)I 1626a_100102657272_100000037189 [0,2,0,0,0,0|2,0,0]=4 4179 B12R1.1703 CNC(=O)c1ccc(cc1F)I 240690a_100102657272_100000037189 [0,2,0,0,0,0|2,0,0]=4 4180 B12R1.1703 CNC(=O)c1ccc(cc1F)I 527a_100102657272_100000037189 [0,2,0,0,0,0|2,0,0]=4 4181 B12R1.1703 CNC(=O)c1ccc(cc1F)O 240690a_100102657272_100000689029 [0,2,0,0,0,0|2,0,0]=4 4182 B12R1.1703 CNC(=O)c1ccc(cc1F)O 271570a_203496583355_100000233932 [0,2,0,0,0,0|2,0,0]=4 4183 B12R1.1703 CNC(=O)c1ccc(cc1F)O 527a_100102657272_100000689029 [0,2,0,0,0,0|2,0,0]=4 4184 B12R1.1703 CNC(=O)c1ccc(cc1I)Br 11a_106832991635_100000751167 [0,2,0,0,0,0|2,0,0]=4 4185 B12R1.1703 CNC(=O)c1ccc(cc1I)Br 1626a_100102657272_100000751167 [0,2,0,0,0,0|2,0,0]=4 4186 B12R1.1703 CNC(=O)c1ccc(cc1I)Br 240690a_100102657272_100000751167 [0,2,0,0,0,0|2,0,0]=4 4187 B12R1.1703 CNC(=O)c1ccc(cc1I)Br 527a_100102657272_100000751167 [0,2,0,0,0,0|2,0,0]=4 4188 B12R1.1703 CNC(=O)c1ccc(cc1I)C 11a_106832991635_100009999607 [0,2,0,0,0,0|2,0,0]=4 4189 B12R1.1703 CNC(=O)c1ccc(cc1I)C 1626a_100102657272_100009999607 [0,2,0,0,0,0|2,0,0]=4 4190 B12R1.1703 CNC(=O)c1ccc(cc1I)C 240690a_100102657272_100009999607 [0,2,0,0,0,0|2,0,0]=4 4191 B12R1.1703 CNC(=O)c1ccc(cc1I)C 527a_100102657272_100009999607 [0,2,0,0,0,0|2,0,0]=4 4192 B12R1.1703 CNC(=O)c1ccc(cc1I)Cl 11a_106832991635_100000739380 [0,2,0,0,0,0|2,0,0]=4 4193 B12R1.1703 CNC(=O)c1ccc(cc1I)Cl 1626a_100102657272_100000739380 [0,2,0,0,0,0|2,0,0]=4 4194 B12R1.1703 CNC(=O)c1ccc(cc1I)Cl 240690a_100102657272_100000739380 [0,2,0,0,0,0|2,0,0]=4 4195 B12R1.1703 CNC(=O)c1ccc(cc1I)Cl 527a_100102657272_100000739380 [0,2,0,0,0,0|2,0,0]=4 4196 B12R1.1703 CNC(=O)c1ccc(cc1I)F 11a_106832991635_100000739341 [0,2,0,0,0,0|2,0,0]=4 4197 B12R1.1703 CNC(=O)c1ccc(cc1I)F 1626a_100102657272_100000739341 [0,2,0,0,0,0|2,0,0]=4 4198 B12R1.1703 CNC(=O)c1ccc(cc1I)F 240690a_100102657272_100000739341 [0,2,0,0,0,0|2,0,0]=4 4199 B12R1.1703 CNC(=O)c1ccc(cc1I)F 527a_100102657272_100000739341 [0,2,0,0,0,0|2,0,0]=4 4200 B12R1.1703 CNC(=O)c1ccc(cc1O)Br 240690a_100102657272_100000744433 [0,2,0,0,0,0|1,0,0]=3 4201 B12R1.1703 CNC(=O)c1ccc(cc1O)Br 527a_100102657272_100000744433 [0,2,0,0,0,0|1,0,0]=3 4202 B12R1.1703 CNC(=O)c1ccc(cc1O)C 1626a_100102657272_100000212137 [0,2,0,0,0,0|1,0,0]=3 4203 B12R1.1703 CNC(=O)c1ccc(cc1O)C 240690a_100102657272_100000212137 [0,2,0,0,0,0|1,0,0]=3 4204 B12R1.1703 CNC(=O)c1ccc(cc1O)C 527a_100102657272_100000212137 [0,2,0,0,0,0|1,0,0]=3 4205 B12R1.1703 CNC(=O)c1ccc(cc1O)Cl 11a_106832991635_100000188622 [0,2,0,0,0,0|1,0,0]=3 4206 B12R1.1703 CNC(=O)c1ccc(cc1O)Cl 240690a_100102657272_100000188622 [0,2,0,0,0,0|1,0,0]=3 4207 B12R1.1703 CNC(=O)c1ccc(cc1O)Cl 527a_100102657272_100000188622 [0,2,0,0,0,0|1,0,0]=3 4208 B12R1.1703 CNC(=O)c1ccc(cc1O)F 240690a_100102657272_100000746061 [0,2,0,0,0,0|1,0,0]=3 4209 B12R1.1703 CNC(=O)c1ccc(cc1O)F 271570a_203496583355_200000206206 [0,2,0,0,0,0|1,0,0]=3 4210 B12R1.1703 CNC(=O)c1ccc(cc1O)F 527a_100102657272_100000746061 [0,2,0,0,0,0|1,0,0]=3 4211 B12R1.1703 CNC(=O)c1ccc(cc1O)I 240690a_100102657272_100000091984 [0,2,0,0,0,0|1,0,0]=3 4212 B12R1.1703 CNC(=O)c1ccc(cc1O)I 527a_100102657272_100000091984 [0,2,0,0,0,0|1,0,0]=3 4213 B12R1.1703 COC(=O)c1ccc(c[n+]1[O-])O 271570a_203496583355_100015641791 [0,2,0,0,0,0|1,0,1]=4 4214 B12R1.1703 COC(=O)c1ccc(cc1Br)O 271570a_203496583355_100010247156 [0,2,0,0,0,0|1,0,0]=3 4215 B12R1.1703 COC(=O)c1ccc(cc1C)O 271570a_203496583355_100000747612 [0,2,0,0,0,0|1,0,0]=3 4216 B12R1.1703 COC(=O)c1ccc(cc1Cl)O 271570a_203496583355_100000060724 [0,2,0,0,0,0|1,0,0]=3 4217 B12R1.1703 COC(=O)c1ccc(cc1F)O 271570a_203496583355_100000216654 [0,2,0,0,0,0|1,0,0]=3 4218 B12R1.1703 COC(=O)c1ccc(cc1N)O 271570a_203496583355_100011373473 [0,2,0,0,0,0|1,0,0]=3 4219 B12R1.1703 COC(=O)c1ccc(cc1O)Br 271570a_203496583355_100000701758 [0,2,0,0,0,0|0,0,0]=2 4220 B12R1.1703 COC(=O)c1ccc(cc1O)C 271570a_203496583355_100012340597 [0,2,0,0,0,0|0,0,0]=2 4221 B12R1.1703 COC(=O)c1ccc(cc1O)Cl 271570a_203496583355_100000047510 [0,2,0,0,0,0|0,0,0]=2 4222 B12R1.1703 COC(=O)c1ccc(cc1O)F 271570a_203496583355_100000204356 [0,2,0,0,0,0|0,0,0]=2 4223 B12R1.1703 COC(=O)c1ccc(cc1O)N 271570a_203496583355_100009998378 [0,2,0,0,0,0|0,0,0]=2 4224 B12R1.1703 COC(=O)c1ccc(cc1O)O 271570a_203496583355_100000062286 [0,2,0,0,0,0|0,0,0]=2 4225 B12R1.1703 COC(=O)c1ccc(cc1O)O 271570a_203496583355_100010150825 [0,2,0,0,0,0|0,0,0]=2 4226 B12R1.1703 COC(=O)c1ccc(nc1C)O 271570a_203496583355_100000692007 [0,2,0,0,0,0|2,0,0]=4 4227 B12R1.1703 COC(=O)c1ccc(nc1F)O 271570a_203496583355_100010189635 [0,2,0,0,0,0|2,0,0]=4 4228 B12R1.1703 COC(=O)c1ccc(nc1N)O 271570a_203496583355_100000142702 [0,2,0,0,0,0|2,0,0]=4 4229 B12R1.1703 COC(=O)c1ccc(nc1O)C 271570a_203496583355_100000054099 [0,2,0,0,0,0|1,0,0]=3 4230 B12R1.1703 COC(=O)c1ccc(nc1O)N 271570a_203496583355_100009865240 [0,2,0,0,0,0|1,0,0]=3 4231 B12R1.1703 COC(=O)c1ccc(nc1O)O 271570a_203496583355_100015962272 [0,2,0,0,0,0|1,0,0]=3 4232 B12R1.1703 COC(=O)c1ccc(nc1O)O 271570a_203496583355_100016008356 [0,2,0,0,0,0|1,0,0]=3 4233 B12R1.1703 COC(=O)c1cnc(cc1C)O 271570a_203496583355_100009871181 [0,2,0,0,0,0|2,0,0]=4 4234 B12R1.1703 COC(=O)c1cnc(cc1N)O 271570a_203496583355_100009862510 [0,2,0,0,0,0|2,0,0]=4 4235 B12R1.1703 COC(=O)c1cnc(cc1O)C 271570a_203496583355_100011998247 [0,2,0,0,0,0|1,0,0]=3 4236 B12R1.1703 COC(=O)c1cnc(nc1O)N 271570a_203496583355_100010277515 [0,2,0,0,0,0|2,0,0]=4 4237 B12R1.1703 COC(=O)c1n[nH]c(=O)cc1O 271570a_203496583355_200021564684 [0,2,0,0,0,0|2,0,0]=4 4238 B12R1.1703 COC(=O)c1ncc(cc1C)O 271570a_203496583355_100010178714 [0,2,0,0,0,0|2,0,0]=4 4239 B12R1.1703 COC(=O)c1ncc(cc1F)O 271570a_203496583355_100000695675 [0,2,0,0,0,0|2,0,0]=4 4240 B12R1.1703 COC(=O)c1ncc(cc1N)O 271570a_203496583355_100010090751 [0,2,0,0,0,0|2,0,0]=4 4241 B12R1.1703 COC(=O)c1ncc(cc1O)C 271570a_203496583355_100010167497 [0,2,0,0,0,0|1,0,0]=3 4242 B12R1.1703 COC(=O)c1ncc(cc1O)F 271570a_203496583355_100010189631 [0,2,0,0,0,0|1,0,0]=3 4243 B12R1.1703 COC(=O)c1ncc(cc1O)O 271570a_203496583355_100010071521 [0,2,0,0,0,0|1,0,0]=3 4244 B12R1.1703 COC(=O)c1ncc(nc1O)C 271570a_203496583355_100000099855 [0,2,0,0,0,0|2,0,0]=4 4245 B12R1.1703 Cc1cc(ccc1C(=O)CF)Br 1458a_100000741311_100015361967 [0,2,0,0,0,0|2,0,0]=4 4246 B12R1.1703 Cc1cc(ccc1C(=O)CF)Cl 1458a_100000688705_100015361967 [0,2,0,0,0,0|2,0,0]=4 4247 B12R1.1703 Cc1cc(ccc1C(=O)CF)F 1458a_100000686989_100015361967 [0,2,0,0,0,0|2,0,0]=4 4248 B12R1.1703 Cc1cc(ccc1C(=O)CF)I 1458a_100010189873_100015361967 [0,2,0,0,0,0|2,0,0]=4 4249 B12R1.1703 Cc1cc(ccc1C(=O)CF)O 1458a_100000692822_100015361967 [0,2,0,0,0,0|2,0,0]=4 4250 B12R1.1703 Cc1ccc(c(c1)Br)C(=O)CF 1458a_100000685072_100015361967 [0,2,0,0,0,0|2,0,0]=4 4251 B12R1.1703 Cc1ccc(c(c1)C)C(=O)CF 1458a_100000211164_100015361967 [0,2,0,0,0,0|2,0,0]=4 4252 B12R1.1703 Cc1ccc(c(c1)Cl)C(=O)CF 1458a_100000766932_100015361967 [0,2,0,0,0,0|2,0,0]=4 4253 B12R1.1703 Cc1ccc(c(c1)F)C(=O)CF 1458a_100000766033_100015361967 [0,2,0,0,0,0|2,0,0]=4 4254 B12R1.1703 Cc1ccc(c(c1)I)C(=O)CF 1458a_100009999607_100015361967 [0,2,0,0,0,0|2,0,0]=4 4255 B12R1.1703 Cc1ccc(c(c1)O)C(=O)CF 1458a_100000212137_100015361967 [0,2,0,0,0,0|1,0,0]=3 4256 B12R1.1703 Cc1ccc(c(c1)O)C(=O)NN 271570a_203496583355_200012340525 [0,2,0,0,0,0|1,0,0]=3 4257 B12R1.1703 NNC(=O)c1ccc(cc1O)F 271570a_203496583355_100000203923 [0,2,0,0,0,0|1,0,0]=3 4258 B12R1.1703 O=C(CF)c1ccc(cc1Br)Br 1458a_100000762965_100015361967 [0,2,0,0,0,0|2,0,0]=4 4259 B12R1.1703 O=C(CF)c1ccc(cc1Br)Cl 1458a_100000766353_100015361967 [0,2,0,0,0,0|2,0,0]=4 4260 B12R1.1703 O=C(CF)c1ccc(cc1Br)F 1458a_100000212304_100015361967 [0,2,0,0,0,0|2,0,0]=4 4261 B12R1.1703 O=C(CF)c1ccc(cc1Br)I 1458a_100012360512_100015361967 [0,2,0,0,0,0|2,0,0]=4 4262 B12R1.1703 O=C(CF)c1ccc(cc1Br)O 1458a_100012344906_100015361967 [0,2,0,0,0,0|2,0,0]=4 4263 B12R1.1703 O=C(CF)c1ccc(cc1Cl)Br 1458a_100000741628_100015361967 [0,2,0,0,0,0|2,0,0]=4 4264 B12R1.1703 O=C(CF)c1ccc(cc1Cl)Cl 1458a_100000185840_100015361967 [0,2,0,0,0,0|2,0,0]=4 4265 B12R1.1703 O=C(CF)c1ccc(cc1Cl)F 1458a_100000211397_100015361967 [0,2,0,0,0,0|2,0,0]=4 4266 B12R1.1703 O=C(CF)c1ccc(cc1Cl)I 1458a_100000751301_100015361967 [0,2,0,0,0,0|2,0,0]=4 4267 B12R1.1703 O=C(CF)c1ccc(cc1Cl)O 1458a_100000702456_100015361967 [0,2,0,0,0,0|2,0,0]=4 4268 B12R1.1703 O=C(CF)c1ccc(cc1F)Br 1458a_100000214689_100015361967 [0,2,0,0,0,0|2,0,0]=4 4269 B12R1.1703 O=C(CF)c1ccc(cc1F)Cl 1458a_100000212326_100015361967 [0,2,0,0,0,0|2,0,0]=4 4270 B12R1.1703 O=C(CF)c1ccc(cc1F)F 1458a_100000211022_100015361967 [0,2,0,0,0,0|2,0,0]=4 4271 B12R1.1703 O=C(CF)c1ccc(cc1F)I 1458a_100000037189_100015361967 [0,2,0,0,0,0|2,0,0]=4 4272 B12R1.1703 O=C(CF)c1ccc(cc1F)O 1458a_100000689029_100015361967 [0,2,0,0,0,0|2,0,0]=4 4273 B12R1.1703 O=C(CF)c1ccc(cc1I)Br 1458a_100000751167_100015361967 [0,2,0,0,0,0|2,0,0]=4 4274 B12R1.1703 O=C(CF)c1ccc(cc1I)Cl 1458a_100000739380_100015361967 [0,2,0,0,0,0|2,0,0]=4 4275 B12R1.1703 O=C(CF)c1ccc(cc1I)F 1458a_100000739341_100015361967 [0,2,0,0,0,0|2,0,0]=4 4276 B12R1.1703 O=C(CF)c1ccc(cc1O)Br 1458a_100000744433_100015361967 [0,2,0,0,0,0|1,0,0]=3 4277 B12R1.1703 O=C(CF)c1ccc(cc1O)Cl 1458a_100000188622_100015361967 [0,2,0,0,0,0|1,0,0]=3 4278 B12R1.1703 O=C(CF)c1ccc(cc1O)F 1458a_100000746061_100015361967 [0,2,0,0,0,0|1,0,0]=3 4279 B12R1.1703 O=C(CF)c1ccc(cc1O)I 1458a_100000091984_100015361967 [0,2,0,0,0,0|1,0,0]=3 4280 B12R1.1703 O=C(CF)c1ccc(cc1O)O 1458a_100000212172_100015361967 [0,2,0,0,0,0|1,0,0]=3 4281 B12R1.354 CCC(=O)c1cc(ccc1Br)Br 1458a_100000690610_100000210202 [0,2,0,0,0,0|2,0,0]=4 4282 B12R1.354 CCC(=O)c1cc(ccc1Br)C 1458a_100000689033_100000210202 [0,2,0,0,0,0|2,0,0]=4 4283 B12R1.354 CCC(=O)c1cc(ccc1Br)Cl 1458a_100000736951_100000210202 [0,2,0,0,0,0|2,0,0]=4 4284 B12R1.354 CCC(=O)c1cc(ccc1Br)F 1458a_100000212315_100000210202 [0,2,0,0,0,0|2,0,0]=4 4285 B12R1.354 CCC(=O)c1cc(ccc1Br)I 1458a_100000698340_100000210202 [0,2,0,0,0,0|2,0,0]=4 4286 B12R1.354 CCC(=O)c1cc(ccc1Br)O 1458a_100012352043_100000210202 [0,2,0,0,0,0|2,0,0]=4 4287 B12R1.354 CCC(=O)c1cc(ccc1C)Br 1458a_100000759961_100000210202 [0,2,0,0,0,0|2,0,0]=4 4288 B12R1.354 CCC(=O)c1cc(ccc1C)C 1458a_100000195421_100000210202 [0,2,0,0,0,0|2,0,0]=4 4289 B12R1.354 CCC(=O)c1cc(ccc1C)Cl 1458a_100000692595_100000210202 [0,2,0,0,0,0|2,0,0]=4 4290 B12R1.354 CCC(=O)c1cc(ccc1C)F 1458a_100000240043_100000210202 [0,2,0,0,0,0|2,0,0]=4 4291 B12R1.354 CCC(=O)c1cc(ccc1C)I 1458a_100000688012_100000210202 [0,2,0,0,0,0|2,0,0]=4 4292 B12R1.354 CCC(=O)c1cc(ccc1C)O 1458a_100000687834_100000210202 [0,2,0,0,0,0|2,0,0]=4 4293 B12R1.354 CCC(=O)c1cc(ccc1Cl)Br 1458a_100000211212_100000210202 [0,2,0,0,0,0|2,0,0]=4 4294 B12R1.354 CCC(=O)c1cc(ccc1Cl)C 1458a_100011290873_100000210202 [0,2,0,0,0,0|2,0,0]=4 4295 B12R1.354 CCC(=O)c1cc(ccc1Cl)Cl 1458a_100000210642_100000210202 [0,2,0,0,0,0|2,0,0]=4 4296 B12R1.354 CCC(=O)c1cc(ccc1Cl)F 1458a_100011219680_100000210202 [0,2,0,0,0,0|2,0,0]=4 4297 B12R1.354 CCC(=O)c1cc(ccc1Cl)I 1458a_100000688013_100000210202 [0,2,0,0,0,0|2,0,0]=4 4298 B12R1.354 CCC(=O)c1cc(ccc1Cl)O 1458a_100000719527_100000210202 [0,2,0,0,0,0|2,0,0]=4 4299 B12R1.354 CCC(=O)c1cc(ccc1F)Br 1458a_100000212322_100000210202 [0,2,0,0,0,0|2,0,0]=4 4300 B12R1.354 CCC(=O)c1cc(ccc1F)C 1458a_100000749327_100000210202 [0,2,0,0,0,0|2,0,0]=4 4301 B12R1.354 CCC(=O)c1cc(ccc1F)Cl 1458a_100000214954_100000210202 [0,2,0,0,0,0|2,0,0]=4 4302 B12R1.354 CCC(=O)c1cc(ccc1F)F 1458a_100000198512_100000210202 [0,2,0,0,0,0|2,0,0]=4 4303 B12R1.354 CCC(=O)c1cc(ccc1F)I 1458a_100000688014_100000210202 [0,2,0,0,0,0|2,0,0]=4 4304 B12R1.354 CCC(=O)c1cc(ccc1F)O 1458a_100000037260_100000210202 [0,2,0,0,0,0|2,0,0]=4 4305 B12R1.354 CCC(=O)c1cc(ccc1I)Br 1458a_100000183945_100000210202 [0,2,0,0,0,0|2,0,0]=4 4306 B12R1.354 CCC(=O)c1cc(ccc1I)C 1458a_100000057929_100000210202 [0,2,0,0,0,0|2,0,0]=4 4307 B12R1.354 CCC(=O)c1cc(ccc1I)Cl 1458a_100000739379_100000210202 [0,2,0,0,0,0|2,0,0]=4 4308 B12R1.354 CCC(=O)c1cc(ccc1I)F 1458a_100000748905_100000210202 [0,2,0,0,0,0|2,0,0]=4 4309 B12R1.354 CCC(=O)c1cc(ccc1I)I 1458a_100000750460_100000210202 [0,2,0,0,0,0|2,0,0]=4 4310 B12R1.354 CCC(=O)c1cc(ccc1I)O 1458a_200009995701_100000210202 [0,2,0,0,0,0|2,0,0]=4 4311 B12R1.354 CCC(=O)c1cc(ccc1O)Br 1458a_100000212140_100000210202 [0,2,0,0,0,0|1,0,0]=3 4312 B12R1.354 CCC(=O)c1cc(ccc1O)C 1458a_100000229998_100000210202 [0,2,0,0,0,0|1,0,0]=3 4313 B12R1.354 CCC(=O)c1cc(ccc1O)Cl 1458a_100000212143_100000210202 [0,2,0,0,0,0|1,0,0]=3 4314 B12R1.354 CCC(=O)c1cc(ccc1O)F 1458a_100000742286_100000210202 [0,2,0,0,0,0|1,0,0]=3 4315 B12R1.354 CCC(=O)c1cc(ccc1O)I 1458a_100000212111_100000210202 [0,2,0,0,0,0|1,0,0]=3 4316 B12R1.354 CCC(=O)c1cc(ccc1O)O 1458a_100000758025_100000210202 [0,2,0,0,0,0|1,0,0]=3 4317 B12R1.354 CCC(=O)c1cc(ccc1O)O 271570a_203496583355_100000183607 [0,2,0,0,0,0|1,0,0]=3 4318 B12R1.354 CNC(=O)c1cc(ccc1Br)Br 11a_106832991635_100000690610 [0,2,0,0,0,0|2,0,0]=4 4319 B12R1.354 CNC(=O)c1cc(ccc1Br)Br 1626a_100102657272_100000690610 [0,2,0,0,0,0|2,0,0]=4 4320 B12R1.354 CNC(=O)c1cc(ccc1Br)Br 240690a_100102657272_100000690610 [0,2,0,0,0,0|2,0,0]=4 4321 B12R1.354 CNC(=O)c1cc(ccc1Br)Br 527a_100102657272_100000690610 [0,2,0,0,0,0|2,0,0]=4 4322 B12R1.354 CNC(=O)c1cc(ccc1Br)C 11a_106832991635_100000689033 [0,2,0,0,0,0|2,0,0]=4 4323 B12R1.354 CNC(=O)c1cc(ccc1Br)C 1626a_100102657272_100000689033 [0,2,0,0,0,0|2,0,0]=4 4324 B12R1.354 CNC(=O)c1cc(ccc1Br)C 240690a_100102657272_100000689033 [0,2,0,0,0,0|2,0,0]=4 4325 B12R1.354 CNC(=O)c1cc(ccc1Br)C 527a_100102657272_100000689033 [0,2,0,0,0,0|2,0,0]=4 4326 B12R1.354 CNC(=O)c1cc(ccc1Br)Cl 11a_106832991635_100000736951 [0,2,0,0,0,0|2,0,0]=4 4327 B12R1.354 CNC(=O)c1cc(ccc1Br)Cl 1626a_100102657272_100000736951 [0,2,0,0,0,0|2,0,0]=4 4328 B12R1.354 CNC(=O)c1cc(ccc1Br)Cl 240690a_100102657272_100000736951 [0,2,0,0,0,0|2,0,0]=4 4329 B12R1.354 CNC(=O)c1cc(ccc1Br)Cl 527a_100102657272_100000736951 [0,2,0,0,0,0|2,0,0]=4 4330 B12R1.354 CNC(=O)c1cc(ccc1Br)F 11a_106832991635_100000212315 [0,2,0,0,0,0|2,0,0]=4 4331 B12R1.354 CNC(=O)c1cc(ccc1Br)F 1626a_100102657272_100000212315 [0,2,0,0,0,0|2,0,0]=4 4332 B12R1.354 CNC(=O)c1cc(ccc1Br)F 240690a_100102657272_100000212315 [0,2,0,0,0,0|2,0,0]=4 4333 B12R1.354 CNC(=O)c1cc(ccc1Br)F 527a_100102657272_100000212315 [0,2,0,0,0,0|2,0,0]=4 4334 B12R1.354 CNC(=O)c1cc(ccc1Br)I 11a_106832991635_100000698340 [0,2,0,0,0,0|2,0,0]=4 4335 B12R1.354 CNC(=O)c1cc(ccc1Br)I 1626a_100102657272_100000698340 [0,2,0,0,0,0|2,0,0]=4 4336 B12R1.354 CNC(=O)c1cc(ccc1Br)I 240690a_100102657272_100000698340 [0,2,0,0,0,0|2,0,0]=4 4337 B12R1.354 CNC(=O)c1cc(ccc1Br)I 527a_100102657272_100000698340 [0,2,0,0,0,0|2,0,0]=4 4338 B12R1.354 CNC(=O)c1cc(ccc1Br)O 240690a_100102657272_100012352043 [0,2,0,0,0,0|2,0,0]=4 4339 B12R1.354 CNC(=O)c1cc(ccc1Br)O 527a_100102657272_100012352043 [0,2,0,0,0,0|2,0,0]=4 4340 B12R1.354 CNC(=O)c1cc(ccc1C)Br 11a_106832991635_100000759961 [0,2,0,0,0,0|2,0,0]=4 4341 B12R1.354 CNC(=O)c1cc(ccc1C)Br 1626a_100102657272_100000759961 [0,2,0,0,0,0|2,0,0]=4 4342 B12R1.354 CNC(=O)c1cc(ccc1C)Br 240690a_100102657272_100000759961 [0,2,0,0,0,0|2,0,0]=4 4343 B12R1.354 CNC(=O)c1cc(ccc1C)Br 527a_100102657272_100000759961 [0,2,0,0,0,0|2,0,0]=4 4344 B12R1.354 CNC(=O)c1cc(ccc1C)C 11a_106832991635_100000195421 [0,2,0,0,0,0|2,0,0]=4 4345 B12R1.354 CNC(=O)c1cc(ccc1C)C 1626a_100102657272_100000195421 [0,2,0,0,0,0|2,0,0]=4 4346 B12R1.354 CNC(=O)c1cc(ccc1C)C 240690a_100102657272_100000195421 [0,2,0,0,0,0|2,0,0]=4 4347 B12R1.354 CNC(=O)c1cc(ccc1C)C 527a_100102657272_100000195421 [0,2,0,0,0,0|2,0,0]=4 4348 B12R1.354 CNC(=O)c1cc(ccc1C)Cl 11a_106832991635_100000692595 [0,2,0,0,0,0|2,0,0]=4 4349 B12R1.354 CNC(=O)c1cc(ccc1C)Cl 1626a_100102657272_100000692595 [0,2,0,0,0,0|2,0,0]=4 4350 B12R1.354 CNC(=O)c1cc(ccc1C)Cl 240690a_100102657272_100000692595 [0,2,0,0,0,0|2,0,0]=4 4351 B12R1.354 CNC(=O)c1cc(ccc1C)Cl 527a_100102657272_100000692595 [0,2,0,0,0,0|2,0,0]=4 4352 B12R1.354 CNC(=O)c1cc(ccc1C)F 11a_106832991635_100000240043 [0,2,0,0,0,0|2,0,0]=4 4353 B12R1.354 CNC(=O)c1cc(ccc1C)F 1626a_100102657272_100000240043 [0,2,0,0,0,0|2,0,0]=4 4354 B12R1.354 CNC(=O)c1cc(ccc1C)F 240690a_100102657272_100000240043 [0,2,0,0,0,0|2,0,0]=4 4355 B12R1.354 CNC(=O)c1cc(ccc1C)F 527a_100102657272_100000240043 [0,2,0,0,0,0|2,0,0]=4 4356 B12R1.354 CNC(=O)c1cc(ccc1C)I 11a_106832991635_100000688012 [0,2,0,0,0,0|2,0,0]=4 4357 B12R1.354 CNC(=O)c1cc(ccc1C)I 1626a_100102657272_100000688012 [0,2,0,0,0,0|2,0,0]=4 4358 B12R1.354 CNC(=O)c1cc(ccc1C)I 240690a_100102657272_100000688012 [0,2,0,0,0,0|2,0,0]=4 4359 B12R1.354 CNC(=O)c1cc(ccc1C)I 527a_100102657272_100000688012 [0,2,0,0,0,0|2,0,0]=4 4360 B12R1.354 CNC(=O)c1cc(ccc1C)O 240690a_100102657272_100000687834 [0,2,0,0,0,0|2,0,0]=4 4361 B12R1.354 CNC(=O)c1cc(ccc1Cl)Br 11a_106832991635_100000211212 [0,2,0,0,0,0|2,0,0]=4 4362 B12R1.354 CNC(=O)c1cc(ccc1Cl)Br 1626a_100102657272_100000211212 [0,2,0,0,0,0|2,0,0]=4 4363 B12R1.354 CNC(=O)c1cc(ccc1Cl)Br 240690a_100102657272_100000211212 [0,2,0,0,0,0|2,0,0]=4 4364 B12R1.354 CNC(=O)c1cc(ccc1Cl)Br 527a_100102657272_100000211212 [0,2,0,0,0,0|2,0,0]=4 4365 B12R1.354 CNC(=O)c1cc(ccc1Cl)C 11a_106832991635_100011290873 [0,2,0,0,0,0|2,0,0]=4 4366 B12R1.354 CNC(=O)c1cc(ccc1Cl)C 1626a_100102657272_100011290873 [0,2,0,0,0,0|2,0,0]=4 4367 B12R1.354 CNC(=O)c1cc(ccc1Cl)C 240690a_100102657272_100011290873 [0,2,0,0,0,0|2,0,0]=4 4368 B12R1.354 CNC(=O)c1cc(ccc1Cl)C 527a_100102657272_100011290873 [0,2,0,0,0,0|2,0,0]=4 4369 B12R1.354 CNC(=O)c1cc(ccc1Cl)Cl 11a_106832991635_100000210642 [0,2,0,0,0,0|2,0,0]=4 4370 B12R1.354 CNC(=O)c1cc(ccc1Cl)Cl 1626a_100102657272_100000210642 [0,2,0,0,0,0|2,0,0]=4 4371 B12R1.354 CNC(=O)c1cc(ccc1Cl)Cl 240690a_100102657272_100000210642 [0,2,0,0,0,0|2,0,0]=4 4372 B12R1.354 CNC(=O)c1cc(ccc1Cl)Cl 527a_100102657272_100000210642 [0,2,0,0,0,0|2,0,0]=4 4373 B12R1.354 CNC(=O)c1cc(ccc1Cl)F 11a_106832991635_100011219680 [0,2,0,0,0,0|2,0,0]=4 4374 B12R1.354 CNC(=O)c1cc(ccc1Cl)F 1626a_100102657272_100011219680 [0,2,0,0,0,0|2,0,0]=4 4375 B12R1.354 CNC(=O)c1cc(ccc1Cl)F 240690a_100102657272_100011219680 [0,2,0,0,0,0|2,0,0]=4 4376 B12R1.354 CNC(=O)c1cc(ccc1Cl)F 527a_100102657272_100011219680 [0,2,0,0,0,0|2,0,0]=4 4377 B12R1.354 CNC(=O)c1cc(ccc1Cl)I 11a_106832991635_100000688013 [0,2,0,0,0,0|2,0,0]=4 4378 B12R1.354 CNC(=O)c1cc(ccc1Cl)I 1626a_100102657272_100000688013 [0,2,0,0,0,0|2,0,0]=4 4379 B12R1.354 CNC(=O)c1cc(ccc1Cl)I 240690a_100102657272_100000688013 [0,2,0,0,0,0|2,0,0]=4 4380 B12R1.354 CNC(=O)c1cc(ccc1Cl)I 527a_100102657272_100000688013 [0,2,0,0,0,0|2,0,0]=4 4381 B12R1.354 CNC(=O)c1cc(ccc1Cl)O 240690a_100102657272_100000719527 [0,2,0,0,0,0|2,0,0]=4 4382 B12R1.354 CNC(=O)c1cc(ccc1Cl)O 527a_100102657272_100000719527 [0,2,0,0,0,0|2,0,0]=4 4383 B12R1.354 CNC(=O)c1cc(ccc1F)Br 11a_106832991635_100000212322 [0,2,0,0,0,0|2,0,0]=4 4384 B12R1.354 CNC(=O)c1cc(ccc1F)Br 1626a_100102657272_100000212322 [0,2,0,0,0,0|2,0,0]=4 4385 B12R1.354 CNC(=O)c1cc(ccc1F)Br 240690a_100102657272_100000212322 [0,2,0,0,0,0|2,0,0]=4 4386 B12R1.354 CNC(=O)c1cc(ccc1F)Br 527a_100102657272_100000212322 [0,2,0,0,0,0|2,0,0]=4 4387 B12R1.354 CNC(=O)c1cc(ccc1F)C 11a_106832991635_100000749327 [0,2,0,0,0,0|2,0,0]=4 4388 B12R1.354 CNC(=O)c1cc(ccc1F)C 1626a_100102657272_100000749327 [0,2,0,0,0,0|2,0,0]=4 4389 B12R1.354 CNC(=O)c1cc(ccc1F)C 240690a_100102657272_100000749327 [0,2,0,0,0,0|2,0,0]=4 4390 B12R1.354 CNC(=O)c1cc(ccc1F)C 527a_100102657272_100000749327 [0,2,0,0,0,0|2,0,0]=4 4391 B12R1.354 CNC(=O)c1cc(ccc1F)Cl 11a_106832991635_100000214954 [0,2,0,0,0,0|2,0,0]=4 4392 B12R1.354 CNC(=O)c1cc(ccc1F)Cl 1626a_100102657272_100000214954 [0,2,0,0,0,0|2,0,0]=4 4393 B12R1.354 CNC(=O)c1cc(ccc1F)Cl 240690a_100102657272_100000214954 [0,2,0,0,0,0|2,0,0]=4 4394 B12R1.354 CNC(=O)c1cc(ccc1F)Cl 527a_100102657272_100000214954 [0,2,0,0,0,0|2,0,0]=4 4395 B12R1.354 CNC(=O)c1cc(ccc1F)F 11a_106832991635_100000198512 [0,2,0,0,0,0|2,0,0]=4 4396 B12R1.354 CNC(=O)c1cc(ccc1F)F 1626a_100102657272_100000198512 [0,2,0,0,0,0|2,0,0]=4 4397 B12R1.354 CNC(=O)c1cc(ccc1F)F 240690a_100102657272_100000198512 [0,2,0,0,0,0|2,0,0]=4 4398 B12R1.354 CNC(=O)c1cc(ccc1F)F 527a_100102657272_100000198512 [0,2,0,0,0,0|2,0,0]=4 4399 B12R1.354 CNC(=O)c1cc(ccc1F)I 11a_106832991635_100000688014 [0,2,0,0,0,0|2,0,0]=4 4400 B12R1.354 CNC(=O)c1cc(ccc1F)I 1626a_100102657272_100000688014 [0,2,0,0,0,0|2,0,0]=4 4401 B12R1.354 CNC(=O)c1cc(ccc1F)I 240690a_100102657272_100000688014 [0,2,0,0,0,0|2,0,0]=4 4402 B12R1.354 CNC(=O)c1cc(ccc1F)I 527a_100102657272_100000688014 [0,2,0,0,0,0|2,0,0]=4 4403 B12R1.354 CNC(=O)c1cc(ccc1F)O 240690a_100102657272_100000037260 [0,2,0,0,0,0|2,0,0]=4 4404 B12R1.354 CNC(=O)c1cc(ccc1F)O 271570a_203496583355_100000155058 [0,2,0,0,0,0|2,0,0]=4 4405 B12R1.354 CNC(=O)c1cc(ccc1F)O 527a_100102657272_100000037260 [0,2,0,0,0,0|2,0,0]=4 4406 B12R1.354 CNC(=O)c1cc(ccc1I)Br 11a_106832991635_100000183945 [0,2,0,0,0,0|2,0,0]=4 4407 B12R1.354 CNC(=O)c1cc(ccc1I)Br 1626a_100102657272_100000183945 [0,2,0,0,0,0|2,0,0]=4 4408 B12R1.354 CNC(=O)c1cc(ccc1I)Br 240690a_100102657272_100000183945 [0,2,0,0,0,0|2,0,0]=4 4409 B12R1.354 CNC(=O)c1cc(ccc1I)C 11a_106832991635_100000057929 [0,2,0,0,0,0|2,0,0]=4 4410 B12R1.354 CNC(=O)c1cc(ccc1I)C 1626a_100102657272_100000057929 [0,2,0,0,0,0|2,0,0]=4 4411 B12R1.354 CNC(=O)c1cc(ccc1I)C 240690a_100102657272_100000057929 [0,2,0,0,0,0|2,0,0]=4 4412 B12R1.354 CNC(=O)c1cc(ccc1I)C 527a_100102657272_100000057929 [0,2,0,0,0,0|2,0,0]=4 4413 B12R1.354 CNC(=O)c1cc(ccc1I)Cl 11a_106832991635_100000739379 [0,2,0,0,0,0|2,0,0]=4 4414 B12R1.354 CNC(=O)c1cc(ccc1I)Cl 1626a_100102657272_100000739379 [0,2,0,0,0,0|2,0,0]=4 4415 B12R1.354 CNC(=O)c1cc(ccc1I)Cl 240690a_100102657272_100000739379 [0,2,0,0,0,0|2,0,0]=4 4416 B12R1.354 CNC(=O)c1cc(ccc1I)Cl 527a_100102657272_100000739379 [0,2,0,0,0,0|2,0,0]=4 4417 B12R1.354 CNC(=O)c1cc(ccc1I)F 11a_106832991635_100000748905 [0,2,0,0,0,0|2,0,0]=4 4418 B12R1.354 CNC(=O)c1cc(ccc1I)F 1626a_100102657272_100000748905 [0,2,0,0,0,0|2,0,0]=4 4419 B12R1.354 CNC(=O)c1cc(ccc1I)F 240690a_100102657272_100000748905 [0,2,0,0,0,0|2,0,0]=4 4420 B12R1.354 CNC(=O)c1cc(ccc1I)F 527a_100102657272_100000748905 [0,2,0,0,0,0|2,0,0]=4 4421 B12R1.354 CNC(=O)c1cc(ccc1I)I 11a_106832991635_100000750460 [0,2,0,0,0,0|2,0,0]=4 4422 B12R1.354 CNC(=O)c1cc(ccc1I)I 1626a_100102657272_100000750460 [0,2,0,0,0,0|2,0,0]=4 4423 B12R1.354 CNC(=O)c1cc(ccc1I)I 240690a_100102657272_100000750460 [0,2,0,0,0,0|2,0,0]=4 4424 B12R1.354 CNC(=O)c1cc(ccc1I)I 527a_100102657272_100000750460 [0,2,0,0,0,0|2,0,0]=4 4425 B12R1.354 CNC(=O)c1cc(ccc1I)O 1626a_100102657272_200009995701 [0,2,0,0,0,0|2,0,0]=4 4426 B12R1.354 CNC(=O)c1cc(ccc1I)O 240690a_100102657272_200009995701 [0,2,0,0,0,0|2,0,0]=4 4427 B12R1.354 CNC(=O)c1cc(ccc1I)O 527a_100102657272_200009995701 [0,2,0,0,0,0|2,0,0]=4 4428 B12R1.354 CNC(=O)c1cc(ccc1N)O 271570a_203496583355_100000690504 [0,2,0,0,0,0|2,0,0]=4 4429 B12R1.354 CNC(=O)c1cc(ccc1O)Br 1626a_100102657272_100000212140 [0,2,0,0,0,0|1,0,0]=3 4430 B12R1.354 CNC(=O)c1cc(ccc1O)Br 240690a_100102657272_100000212140 [0,2,0,0,0,0|1,0,0]=3 4431 B12R1.354 CNC(=O)c1cc(ccc1O)Br 527a_100102657272_100000212140 [0,2,0,0,0,0|1,0,0]=3 4432 B12R1.354 CNC(=O)c1cc(ccc1O)C 240690a_100102657272_100000229998 [0,2,0,0,0,0|1,0,0]=3 4433 B12R1.354 CNC(=O)c1cc(ccc1O)C 527a_100102657272_100000229998 [0,2,0,0,0,0|1,0,0]=3 4434 B12R1.354 CNC(=O)c1cc(ccc1O)Cl 11a_106832991635_100000212143 [0,2,0,0,0,0|1,0,0]=3 4435 B12R1.354 CNC(=O)c1cc(ccc1O)Cl 1626a_100102657272_100000212143 [0,2,0,0,0,0|1,0,0]=3 4436 B12R1.354 CNC(=O)c1cc(ccc1O)Cl 240690a_100102657272_100000212143 [0,2,0,0,0,0|1,0,0]=3 4437 B12R1.354 CNC(=O)c1cc(ccc1O)Cl 271570a_203496583355_200011279454 [0,2,0,0,0,0|1,0,0]=3 4438 B12R1.354 CNC(=O)c1cc(ccc1O)Cl 527a_100102657272_100000212143 [0,2,0,0,0,0|1,0,0]=3 4439 B12R1.354 CNC(=O)c1cc(ccc1O)F 240690a_100102657272_100000742286 [0,2,0,0,0,0|1,0,0]=3 4440 B12R1.354 CNC(=O)c1cc(ccc1O)F 271570a_203496583355_200000206232 [0,2,0,0,0,0|1,0,0]=3 4441 B12R1.354 CNC(=O)c1cc(ccc1O)F 527a_100102657272_100000742286 [0,2,0,0,0,0|1,0,0]=3 4442 B12R1.354 CNC(=O)c1cc(ccc1O)I 240690a_100102657272_100000212111 [0,2,0,0,0,0|1,0,0]=3 4443 B12R1.354 CNC(=O)c1cc(ccc1O)I 527a_100102657272_100000212111 [0,2,0,0,0,0|1,0,0]=3 4444 B12R1.354 COC(=O)c1cc(c[nH]c1=O)O 271570a_203496583355_100009816710 [0,2,0,0,0,0|1,0,1]=4 4445 B12R1.354 COC(=O)c1cc(ccc1Br)O 271570a_203496583355_100012340073 [0,2,0,0,0,0|1,0,0]=3 4446 B12R1.354 COC(=O)c1cc(ccc1C)O 271570a_203496583355_100012360116 [0,2,0,0,0,0|1,0,0]=3 4447 B12R1.354 COC(=O)c1cc(ccc1Cl)O 271570a_203496583355_100012353682 [0,2,0,0,0,0|1,0,0]=3 4448 B12R1.354 COC(=O)c1cc(ccc1F)O 271570a_203496583355_100000154357 [0,2,0,0,0,0|1,0,0]=3 4449 B12R1.354 COC(=O)c1cc(ccc1N)O 271570a_203496583355_100000212070 [0,2,0,0,0,0|1,0,0]=3 4450 B12R1.354 COC(=O)c1cc(ccc1O)Br 271570a_203496583355_100000148213 [0,2,0,0,0,0|0,0,0]=2 4451 B12R1.354 COC(=O)c1cc(ccc1O)C 271570a_203496583355_100012339458 [0,2,0,0,0,0|0,0,0]=2 4452 B12R1.354 COC(=O)c1cc(ccc1O)Cl 271570a_203496583355_100011294804 [0,2,0,0,0,0|0,0,0]=2 4453 B12R1.354 COC(=O)c1cc(ccc1O)F 271570a_203496583355_100000205820 [0,2,0,0,0,0|0,0,0]=2 4454 B12R1.354 COC(=O)c1cc(ccc1O)N 271570a_203496583355_100000696289 [0,2,0,0,0,0|0,0,0]=2 4455 B12R1.354 COC(=O)c1cc(ccc1O)O 271570a_203496583355_100000149868 [0,2,0,0,0,0|0,0,0]=2 4456 B12R1.354 COC(=O)c1cc(ccc1O)O 271570a_203496583355_100010230369 [0,2,0,0,0,0|0,0,0]=2 4457 B12R1.354 COC(=O)c1cc(cnc1C)O 271570a_203496583355_100010180201 [0,2,0,0,0,0|2,0,0]=4 4458 B12R1.354 COC(=O)c1cc(cnc1F)O 271570a_203496583355_100010243567 [0,2,0,0,0,0|2,0,0]=4 4459 B12R1.354 COC(=O)c1cc(cnc1N)O 271570a_203496583355_100009816750 [0,2,0,0,0,0|2,0,0]=4 4460 B12R1.354 COC(=O)c1cc(cnc1O)C 271570a_203496583355_100000085774 [0,2,0,0,0,0|1,0,0]=3 4461 B12R1.354 COC(=O)c1cc(cnc1O)F 271570a_203496583355_100012000215 [0,2,0,0,0,0|1,0,0]=3 4462 B12R1.354 COC(=O)c1cc(cnc1O)N 271570a_203496583355_200012182668 [0,2,0,0,0,0|1,0,0]=3 4463 B12R1.354 COC(=O)c1cc(ncc1C)O 271570a_203496583355_100009858526 [0,2,0,0,0,0|2,0,0]=4 4464 B12R1.354 COC(=O)c1cc(ncc1F)O 271570a_203496583355_100010218257 [0,2,0,0,0,0|2,0,0]=4 4465 B12R1.354 COC(=O)c1cc(ncc1N)O 271570a_203496583355_100012180746 [0,2,0,0,0,0|2,0,0]=4 4466 B12R1.354 COC(=O)c1cc(ncc1O)N 271570a_203496583355_100011934820 [0,2,0,0,0,0|1,0,0]=3 4467 B12R1.354 COC(=O)c1cc(ncc1O)O 271570a_203496583355_100009816900 [0,2,0,0,0,0|1,0,0]=3 4468 B12R1.354 COC(=O)c1cc(ncc1O)O 271570a_203496583355_100010136202 [0,2,0,0,0,0|1,0,0]=3 4469 B12R1.354 COC(=O)c1nc(=O)[nH]cc1O 271570a_203496583355_100000093369 [0,2,0,0,0,0|2,0,0]=4 4470 B12R1.354 COC(=O)c1nc(ccc1C)O 271570a_203496583355_100000117997 [0,2,0,0,0,0|2,0,0]=4 4471 B12R1.354 COC(=O)c1nc(ccc1F)O 271570a_203496583355_100000697719 [0,2,0,0,0,0|2,0,0]=4 4472 B12R1.354 COC(=O)c1nc(ccc1N)O 271570a_203496583355_100009860768 [0,2,0,0,0,0|2,0,0]=4 4473 B12R1.354 COC(=O)c1nc(ccc1O)N 271570a_203496583355_100009816986 [0,2,0,0,0,0|1,0,0]=3 4474 B12R1.354 COC(=O)c1nc(ccc1O)O 271570a_203496583355_100000697862 [0,2,0,0,0,0|1,0,0]=3 4475 B12R1.354 COC(=O)c1nc(ccc1O)O 271570a_203496583355_100010189638 [0,2,0,0,0,0|1,0,0]=3 4476 B12R1.354 COC(=O)c1nc(ncc1O)N 271570a_203496583355_100010219261 [0,2,0,0,0,0|2,0,0]=4 4477 B12R1.354 Cc1ccc(c(c1)C(=O)CF)Br 1458a_100000689033_100015361967 [0,2,0,0,0,0|2,0,0]=4 4478 B12R1.354 Cc1ccc(c(c1)C(=O)CF)C 1458a_100000195421_100015361967 [0,2,0,0,0,0|2,0,0]=4 4479 B12R1.354 Cc1ccc(c(c1)C(=O)CF)Cl 1458a_100011290873_100015361967 [0,2,0,0,0,0|2,0,0]=4 4480 B12R1.354 Cc1ccc(c(c1)C(=O)CF)F 1458a_100000749327_100015361967 [0,2,0,0,0,0|2,0,0]=4 4481 B12R1.354 Cc1ccc(c(c1)C(=O)CF)I 1458a_100000057929_100015361967 [0,2,0,0,0,0|2,0,0]=4 4482 B12R1.354 Cc1ccc(c(c1)C(=O)CF)O 1458a_100000229998_100015361967 [0,2,0,0,0,0|1,0,0]=3 4483 B12R1.354 Cc1ccc(cc1C(=O)CF)Br 1458a_100000759961_100015361967 [0,2,0,0,0,0|2,0,0]=4 4484 B12R1.354 Cc1ccc(cc1C(=O)CF)Cl 1458a_100000692595_100015361967 [0,2,0,0,0,0|2,0,0]=4 4485 B12R1.354 Cc1ccc(cc1C(=O)CF)F 1458a_100000240043_100015361967 [0,2,0,0,0,0|2,0,0]=4 4486 B12R1.354 Cc1ccc(cc1C(=O)CF)I 1458a_100000688012_100015361967 [0,2,0,0,0,0|2,0,0]=4 4487 B12R1.354 Cc1ccc(cc1C(=O)CF)O 1458a_100000687834_100015361967 [0,2,0,0,0,0|2,0,0]=4 4488 B12R1.354 NNC(=O)c1cc(ccc1Br)O 271570a_203496583355_200011356971 [0,2,0,0,0,0|2,0,0]=4 4489 B12R1.354 NNC(=O)c1cc(ccc1Cl)O 271570a_203496583355_200000049959 [0,2,0,0,0,0|2,0,0]=4 4490 B12R1.354 NNC(=O)c1cc(ccc1O)F 271570a_203496583355_100000205862 [0,2,0,0,0,0|1,0,0]=3 4491 B12R1.354 NNC(=O)c1cc(ccc1O)O 271570a_203496583355_100000193350 [0,2,0,0,0,0|1,0,0]=3 4492 B12R1.354 O=C(CF)c1cc(ccc1Br)Br 1458a_100000690610_100015361967 [0,2,0,0,0,0|2,0,0]=4 4493 B12R1.354 O=C(CF)c1cc(ccc1Br)Cl 1458a_100000736951_100015361967 [0,2,0,0,0,0|2,0,0]=4 4494 B12R1.354 O=C(CF)c1cc(ccc1Br)F 1458a_100000212315_100015361967 [0,2,0,0,0,0|2,0,0]=4 4495 B12R1.354 O=C(CF)c1cc(ccc1Br)I 1458a_100000698340_100015361967 [0,2,0,0,0,0|2,0,0]=4 4496 B12R1.354 O=C(CF)c1cc(ccc1Br)O 1458a_100012352043_100015361967 [0,2,0,0,0,0|2,0,0]=4 4497 B12R1.354 O=C(CF)c1cc(ccc1Cl)Br 1458a_100000211212_100015361967 [0,2,0,0,0,0|2,0,0]=4 4498 B12R1.354 O=C(CF)c1cc(ccc1Cl)Cl 1458a_100000210642_100015361967 [0,2,0,0,0,0|2,0,0]=4 4499 B12R1.354 O=C(CF)c1cc(ccc1Cl)F 1458a_100011219680_100015361967 [0,2,0,0,0,0|2,0,0]=4 4500 B12R1.354 O=C(CF)c1cc(ccc1Cl)I 1458a_100000688013_100015361967 [0,2,0,0,0,0|2,0,0]=4 4501 B12R1.354 O=C(CF)c1cc(ccc1Cl)O 1458a_100000719527_100015361967 [0,2,0,0,0,0|2,0,0]=4 4502 B12R1.354 O=C(CF)c1cc(ccc1F)Br 1458a_100000212322_100015361967 [0,2,0,0,0,0|2,0,0]=4 4503 B12R1.354 O=C(CF)c1cc(ccc1F)Cl 1458a_100000214954_100015361967 [0,2,0,0,0,0|2,0,0]=4 4504 B12R1.354 O=C(CF)c1cc(ccc1F)F 1458a_100000198512_100015361967 [0,2,0,0,0,0|2,0,0]=4 4505 B12R1.354 O=C(CF)c1cc(ccc1F)I 1458a_100000688014_100015361967 [0,2,0,0,0,0|2,0,0]=4 4506 B12R1.354 O=C(CF)c1cc(ccc1F)O 1458a_100000037260_100015361967 [0,2,0,0,0,0|2,0,0]=4 4507 B12R1.354 O=C(CF)c1cc(ccc1I)Br 1458a_100000183945_100015361967 [0,2,0,0,0,0|2,0,0]=4 4508 B12R1.354 O=C(CF)c1cc(ccc1I)Cl 1458a_100000739379_100015361967 [0,2,0,0,0,0|2,0,0]=4 4509 B12R1.354 O=C(CF)c1cc(ccc1I)F 1458a_100000748905_100015361967 [0,2,0,0,0,0|2,0,0]=4 4510 B12R1.354 O=C(CF)c1cc(ccc1I)I 1458a_100000750460_100015361967 [0,2,0,0,0,0|2,0,0]=4 4511 B12R1.354 O=C(CF)c1cc(ccc1I)O 1458a_200009995701_100015361967 [0,2,0,0,0,0|2,0,0]=4 4512 B12R1.354 O=C(CF)c1cc(ccc1O)Br 1458a_100000212140_100015361967 [0,2,0,0,0,0|1,0,0]=3 4513 B12R1.354 O=C(CF)c1cc(ccc1O)Cl 1458a_100000212143_100015361967 [0,2,0,0,0,0|1,0,0]=3 4514 B12R1.354 O=C(CF)c1cc(ccc1O)F 1458a_100000742286_100015361967 [0,2,0,0,0,0|1,0,0]=3 4515 B12R1.354 O=C(CF)c1cc(ccc1O)I 1458a_100000212111_100015361967 [0,2,0,0,0,0|1,0,0]=3 4516 B12R1.354 O=C(CF)c1cc(ccc1O)O 1458a_100000758025_100015361967 [0,2,0,0,0,0|1,0,0]=3 4517 B12R1.453 C=C(C)c1cc(ccc1O)C#N 271570a_100000694244_100000725478 [0,2,0,0,0,0|2,0,0]=4 4518 B12R1.453 C=C(C)c1cc(ccc1O)C=O 271570a_100000694244_100000184552 [0,2,0,0,0,0|2,0,0]=4 4519 B12R1.453 C=C(C)c1cc(ccc1O)CC 271570a_100000694244_100012339963 [0,2,0,0,0,0|2,0,0]=4 4520 B12R1.453 C=C(C)c1cc(ccc1O)CO 271570a_100000694244_100011191544 [0,2,0,0,0,0|2,0,0]=4 4521 B12R1.453 C=C(C)c1cc(ccc1O)OC 271570a_100000694244_100000685887 [0,2,0,0,0,0|2,0,0]=4 4522 B12R1.453 C=Cc1ccc(c(c1)B(O)O)O 271570a_100011290941_200009814749 [0,2,0,0,0,0|1,0,1]=4 4523 B12R1.453 C=Cc1ccc(c(c1)C(=O)C)C 271570a_100011290941_100012706819 [0,2,0,0,0,0|2,0,0]=4 4524 B12R1.453 C=Cc1ccc(c(c1)C(=O)C)Cl 271570a_100011290941_100010712560 [0,2,0,0,0,0|2,0,0]=4 4525 B12R1.453 C=Cc1ccc(c(c1)C(=O)C)F 271570a_100011290941_100000689017 [0,2,0,0,0,0|2,0,0]=4 4526 B12R1.453 C=Cc1ccc(c(c1)C(=O)C)N 271570a_100011290941_100000695420 [0,2,0,0,0,0|2,0,0]=4 4527 B12R1.453 C=Cc1ccc(c(c1)C(=O)C)O 271570a_100011290941_100000212127 [0,2,0,0,0,0|1,0,0]=3 4528 B12R1.453 C=Cc1ccc(c(c1)C(=O)N)C 271570a_100011290941_100012257281 [0,2,0,0,0,0|2,0,0]=4 4529 B12R1.453 C=Cc1ccc(c(c1)C(=O)N)F 271570a_100011290941_100000162119 [0,2,0,0,0,0|2,0,0]=4 4530 B12R1.453 C=Cc1ccc(c(c1)C(=O)N)N 271570a_100011290941_100000740421 [0,2,0,0,0,0|2,0,0]=4 4531 B12R1.453 C=Cc1ccc(c(c1)C(=O)N)O 271570a_100011290941_100000192807 [0,2,0,0,0,0|1,0,0]=3 4532 B12R1.453 CC(=O)c1cc(ccc1Br)C#N 1458a_100012361338_200000210301 [0,2,0,0,0,0|2,0,0]=4 4533 B12R1.453 CC(=O)c1cc(ccc1Br)CO 1458a_100010259715_200000210301 [0,2,0,0,0,0|2,0,0]=4 4534 B12R1.453 CC(=O)c1cc(ccc1C)C#N 1458a_200012187059_200000210301 [0,2,0,0,0,0|2,0,0]=4 4535 B12R1.453 CC(=O)c1cc(ccc1C)S[13CH3] 62a_100012706819_200025704644 [0,2,0,0,0,0|2,0,0]=4 4536 B12R1.453 CC(=O)c1cc(ccc1Cl)C#N 1458a_100000729836_200000210301 [0,2,0,0,0,0|2,0,0]=4 4537 B12R1.453 CC(=O)c1cc(ccc1Cl)O[13CH3] 34a_100009867868_200025704644 [0,2,0,0,0,0|2,0,0]=4 4538 B12R1.453 CC(=O)c1cc(ccc1Cl)O[13CH3] 7a_100009867868_200025704644 [0,2,0,0,0,0|2,0,0]=4 4539 B12R1.453 CC(=O)c1cc(ccc1Cl)S[13CH3] 62a_100010712560_200025704644 [0,2,0,0,0,0|2,0,0]=4 4540 B12R1.453 CC(=O)c1cc(ccc1F)C#N 1458a_100011218479_200000210301 [0,2,0,0,0,0|2,0,0]=4 4541 B12R1.453 CC(=O)c1cc(ccc1F)O[13CH3] 34a_100000091700_200025704644 [0,2,0,0,0,0|2,0,0]=4 4542 B12R1.453 CC(=O)c1cc(ccc1F)O[13CH3] 7a_100000091700_200025704644 [0,2,0,0,0,0|2,0,0]=4 4543 B12R1.453 CC(=O)c1cc(ccc1F)S[13CH3] 62a_100000689017_200025704644 [0,2,0,0,0,0|2,0,0]=4 4544 B12R1.453 CC(=O)c1cc(ccc1F)S[13CH3] 62a_200025704644_100010254839 [0,2,0,0,0,0|2,0,0]=4 4545 B12R1.453 CC(=O)c1cc(ccc1I)C#N 1458a_200010191847_200000210301 [0,2,0,0,0,0|2,0,0]=4 4546 B12R1.453 CC(=O)c1cc(ccc1N)S[13CH3] 62a_100000695420_200025704644 [0,2,0,0,0,0|2,0,0]=4 4547 B12R1.453 CC(=O)c1cc(ccc1O)C#N 1458a_100000719980_200000210301 [0,2,0,0,0,0|1,0,0]=3 4548 B12R1.453 CC(=O)c1cc(ccc1O)CO 1458a_200000045694_200000210301 [0,2,0,0,0,0|1,0,0]=3 4549 B12R1.453 CCc1ccc(c(c1)C(=O)C)O 1458a_200000748397_200000210301 [0,2,0,0,0,0|1,0,0]=3 4550 B12R1.453 CCc1ccc(c(c1)C(=O)[13CH3])O 1458a_200000748397_200025704644 [0,2,0,0,0,0|1,0,0]=3 4551 B12R1.453 CNc1ccc(c(c1)C(=O)N)Br 34a_100015186447_200000210301 [0,2,0,0,0,0|2,0,0]=4 4552 B12R1.453 CNc1ccc(c(c1)C(=O)N)Br 7a_100015186447_200000210301 [0,2,0,0,0,0|2,0,0]=4 4553 B12R1.453 CNc1ccc(c(c1)C(=O)N)C 34a_100000750465_200000210301 [0,2,0,0,0,0|2,0,0]=4 4554 B12R1.453 CNc1ccc(c(c1)C(=O)N)C 7a_100000750465_200000210301 [0,2,0,0,0,0|2,0,0]=4 4555 B12R1.453 CNc1ccc(c(c1)C(=O)N)Cl 34a_100000736848_200000210301 [0,2,0,0,0,0|2,0,0]=4 4556 B12R1.453 CNc1ccc(c(c1)C(=O)N)Cl 7a_100000736848_200000210301 [0,2,0,0,0,0|2,0,0]=4 4557 B12R1.453 CNc1ccc(c(c1)C(=O)N)F 34a_100000738046_200000210301 [0,2,0,0,0,0|2,0,0]=4 4558 B12R1.453 CNc1ccc(c(c1)C(=O)N)F 7a_100000738046_200000210301 [0,2,0,0,0,0|2,0,0]=4 4559 B12R1.453 COc1ccc(c(c1)B(O)O)O 271570a_203496583355_100009814730 [0,2,0,0,0,0|1,0,1]=4 4560 B12R1.453 COc1ccc(c(c1)C(=O)C)Br 1458a_100000211723_200000210301 [0,2,0,0,0,0|2,0,0]=4 4561 B12R1.453 COc1ccc(c(c1)C(=O)C)C 1458a_100011399813_200000210301 [0,2,0,0,0,0|2,0,0]=4 4562 B12R1.453 COc1ccc(c(c1)C(=O)C)Cl 1458a_100000763818_200000210301 [0,2,0,0,0,0|2,0,0]=4 4563 B12R1.453 COc1ccc(c(c1)C(=O)C)Cl 34a_100009867868_200000210301 [0,2,0,0,0,0|2,0,0]=4 4564 B12R1.453 COc1ccc(c(c1)C(=O)C)Cl 7a_100009867868_200000210301 [0,2,0,0,0,0|2,0,0]=4 4565 B12R1.453 COc1ccc(c(c1)C(=O)C)F 1458a_100011217016_200000210301 [0,2,0,0,0,0|2,0,0]=4 4566 B12R1.453 COc1ccc(c(c1)C(=O)C)F 34a_100000091700_200000210301 [0,2,0,0,0,0|2,0,0]=4 4567 B12R1.453 COc1ccc(c(c1)C(=O)C)F 7a_100000091700_200000210301 [0,2,0,0,0,0|2,0,0]=4 4568 B12R1.453 COc1ccc(c(c1)C(=O)C)I 1458a_100012339533_200000210301 [0,2,0,0,0,0|2,0,0]=4 4569 B12R1.453 COc1ccc(c(c1)C(=O)C)O 1458a_100000211986_200000210301 [0,2,0,0,0,0|1,0,0]=3 4570 B12R1.453 COc1ccc(c(c1)C(=O)C)O 271570a_203496583355_100011360761 [0,2,0,0,0,0|1,0,0]=3 4571 B12R1.453 COc1ccc(c(c1)C(=O)N)O 271570a_203496583355_100000162014 [0,2,0,0,0,0|1,0,0]=3 4572 B12R1.453 COc1ccc(c(c1)C(=O)[13CH3])Br 1458a_100000211723_200025704644 [0,2,0,0,0,0|2,0,0]=4 4573 B12R1.453 COc1ccc(c(c1)C(=O)[13CH3])C 1458a_100011399813_200025704644 [0,2,0,0,0,0|2,0,0]=4 4574 B12R1.453 COc1ccc(c(c1)C(=O)[13CH3])Cl 1458a_100000763818_200025704644 [0,2,0,0,0,0|2,0,0]=4 4575 B12R1.453 COc1ccc(c(c1)C(=O)[13CH3])F 1458a_100011217016_200025704644 [0,2,0,0,0,0|2,0,0]=4 4576 B12R1.453 COc1ccc(c(c1)C(=O)[13CH3])I 1458a_100012339533_200025704644 [0,2,0,0,0,0|2,0,0]=4 4577 B12R1.453 COc1ccc(c(c1)C(=O)[13CH3])O 1458a_100000211986_200025704644 [0,2,0,0,0,0|1,0,0]=3 4578 B12R1.453 CSc1ccc(c(c1)C(=O)C)C 62a_100012706819_200000210301 [0,2,0,0,0,0|2,0,0]=4 4579 B12R1.453 CSc1ccc(c(c1)C(=O)C)Cl 1458a_100000212015_200000210301 [0,2,0,0,0,0|2,0,0]=4 4580 B12R1.453 CSc1ccc(c(c1)C(=O)C)Cl 62a_100010712560_200000210301 [0,2,0,0,0,0|2,0,0]=4 4581 B12R1.453 CSc1ccc(c(c1)C(=O)C)F 1458a_200012183283_200000210301 [0,2,0,0,0,0|2,0,0]=4 4582 B12R1.453 CSc1ccc(c(c1)C(=O)C)F 62a_100000689017_200000210301 [0,2,0,0,0,0|2,0,0]=4 4583 B12R1.453 CSc1ccc(c(c1)C(=O)C)F 62a_200000210301_100010254839 [0,2,0,0,0,0|2,0,0]=4 4584 B12R1.453 CSc1ccc(c(c1)C(=O)C)N 62a_100000695420_200000210301 [0,2,0,0,0,0|2,0,0]=4 4585 B12R1.453 CSc1ccc(c(c1)C(=O)N)C 62a_100012257281_200000210301 [0,2,0,0,0,0|2,0,0]=4 4586 B12R1.453 CSc1ccc(c(c1)C(=O)N)C 62a_200000210301_100012257281 [0,2,0,0,0,0|2,0,0]=4 4587 B12R1.453 CSc1ccc(c(c1)C(=O)N)F 62a_100000162119_200000210301 [0,2,0,0,0,0|2,0,0]=4 4588 B12R1.453 CSc1ccc(c(c1)C(=O)N)N 62a_100000740421_200000210301 [0,2,0,0,0,0|2,0,0]=4 4589 B12R1.453 CSc1ccc(c(c1)C(=O)N)O 62a_100000192807_200000210301 [0,2,0,0,0,0|1,0,0]=3 4590 B12R1.453 CSc1ccc(c(c1)C(=O)[13CH3])Cl 1458a_100000212015_200025704644 [0,2,0,0,0,0|2,0,0]=4 4591 B12R1.453 CSc1ccc(c(c1)C(=O)[13CH3])F 1458a_200012183283_200025704644 [0,2,0,0,0,0|2,0,0]=4 4592 B12R1.453 Cc1ccc(cc1C(=O)N)N[13CH3] 34a_100000750465_200025704644 [0,2,0,0,0,0|2,0,0]=4 4593 B12R1.453 Cc1ccc(cc1C(=O)N)N[13CH3] 7a_100000750465_200025704644 [0,2,0,0,0,0|2,0,0]=4 4594 B12R1.453 Cc1ccc(cc1C(=O)N)S[13CH3] 62a_100012257281_200025704644 [0,2,0,0,0,0|2,0,0]=4 4595 B12R1.453 Cc1ccc(cc1C(=O)N)S[13CH3] 62a_200025704644_100012257281 [0,2,0,0,0,0|2,0,0]=4 4596 B12R1.453 Cc1ccc(cc1C(=O)[13CH3])C#N 1458a_200012187059_200025704644 [0,2,0,0,0,0|2,0,0]=4 4597 B12R1.453 N#Cc1ccc(c(c1)B(O)O)O 271570a_203496583355_100000068296 [0,2,0,0,0,0|1,0,1]=4 4598 B12R1.453 O=Cc1ccc(c(c1)B(O)O)O 271570a_203496583355_100000068294 [0,2,0,0,0,0|1,0,1]=4 4599 B12R1.453 [13CH3]C(=O)c1cc(ccc1Br)C#N 1458a_100012361338_200025704644 [0,2,0,0,0,0|2,0,0]=4 4600 B12R1.453 [13CH3]C(=O)c1cc(ccc1Br)CO 1458a_100010259715_200025704644 [0,2,0,0,0,0|2,0,0]=4 4601 B12R1.453 [13CH3]C(=O)c1cc(ccc1Cl)C#N 1458a_100000729836_200025704644 [0,2,0,0,0,0|2,0,0]=4 4602 B12R1.453 [13CH3]C(=O)c1cc(ccc1F)C#N 1458a_100011218479_200025704644 [0,2,0,0,0,0|2,0,0]=4 4603 B12R1.453 [13CH3]C(=O)c1cc(ccc1I)C#N 1458a_200010191847_200025704644 [0,2,0,0,0,0|2,0,0]=4 4604 B12R1.453 [13CH3]C(=O)c1cc(ccc1O)C#N 1458a_100000719980_200025704644 [0,2,0,0,0,0|1,0,0]=3 4605 B12R1.453 [13CH3]C(=O)c1cc(ccc1O)CO 1458a_200000045694_200025704644 [0,2,0,0,0,0|1,0,0]=3 4606 B12R1.453 [13CH3]Nc1ccc(c(c1)C(=O)N)Br 34a_100015186447_200025704644 [0,2,0,0,0,0|2,0,0]=4 4607 B12R1.453 [13CH3]Nc1ccc(c(c1)C(=O)N)Br 7a_100015186447_200025704644 [0,2,0,0,0,0|2,0,0]=4 4608 B12R1.453 [13CH3]Nc1ccc(c(c1)C(=O)N)Cl 34a_100000736848_200025704644 [0,2,0,0,0,0|2,0,0]=4 4609 B12R1.453 [13CH3]Nc1ccc(c(c1)C(=O)N)Cl 7a_100000736848_200025704644 [0,2,0,0,0,0|2,0,0]=4 4610 B12R1.453 [13CH3]Nc1ccc(c(c1)C(=O)N)F 34a_100000738046_200025704644 [0,2,0,0,0,0|2,0,0]=4 4611 B12R1.453 [13CH3]Nc1ccc(c(c1)C(=O)N)F 7a_100000738046_200025704644 [0,2,0,0,0,0|2,0,0]=4 4612 B12R1.453 [13CH3]Sc1ccc(c(c1)C(=O)N)F 62a_100000162119_200025704644 [0,2,0,0,0,0|2,0,0]=4 4613 B12R1.453 [13CH3]Sc1ccc(c(c1)C(=O)N)N 62a_100000740421_200025704644 [0,2,0,0,0,0|2,0,0]=4 4614 B12R1.453 [13CH3]Sc1ccc(c(c1)C(=O)N)O 62a_100000192807_200025704644 [0,2,0,0,0,0|1,0,0]=3 4615 B12R1.243 COC(OC)c1ccccc1O 271570a_203496583355_100010185899 [0,2,0,0,0,0|0,0,2]=4 4616 B12R1.308 C#CCC(=O)c1ccccc1Br 1458a_100000188424_100000184674 [0,2,0,0,0,0|2,0,0]=4 4617 B12R1.308 C#CCC(=O)c1ccccc1C 1458a_100000212026_100000184674 [0,2,0,0,0,0|2,0,0]=4 4618 B12R1.308 C#CCC(=O)c1ccccc1Cl 1458a_100000185844_100000184674 [0,2,0,0,0,0|2,0,0]=4 4619 B12R1.308 C#CCC(=O)c1ccccc1F 1458a_100000188656_100000184674 [0,2,0,0,0,0|2,0,0]=4 4620 B12R1.308 C#CCC(=O)c1ccccc1I 1458a_100000187884_100000184674 [0,2,0,0,0,0|2,0,0]=4 4621 B12R1.308 C#CCC(=O)c1ccccc1O 1458a_100015234032_100000184674 [0,2,0,0,0,0|1,0,0]=3 4622 B12R1.308 C#CCC(=O)c1ccccc1[O-] 1458a_100009911694_100000184674 [0,2,0,0,0,0|1,0,1]=4 4623 B12R1.308 C=CCC(=O)c1ccccc1Br 1458a_100000188424_100000210623 [0,2,0,0,0,0|2,0,0]=4 4624 B12R1.308 C=CCC(=O)c1ccccc1C 1458a_100000212026_100000210623 [0,2,0,0,0,0|2,0,0]=4 4625 B12R1.308 C=CCC(=O)c1ccccc1Cl 1458a_100000185844_100000210623 [0,2,0,0,0,0|2,0,0]=4 4626 B12R1.308 C=CCC(=O)c1ccccc1F 1458a_100000188656_100000210623 [0,2,0,0,0,0|2,0,0]=4 4627 B12R1.308 C=CCC(=O)c1ccccc1I 1458a_100000187884_100000210623 [0,2,0,0,0,0|2,0,0]=4 4628 B12R1.308 C=CCC(=O)c1ccccc1O 1458a_100015234032_100000210623 [0,2,0,0,0,0|1,0,0]=3 4629 B12R1.308 C=CCC(=O)c1ccccc1[O-] 1458a_100009911694_100000210623 [0,2,0,0,0,0|1,0,1]=4 4630 B12R1.308 CCCC(=O)c1ccccc1Br 1458a_100000188424_100000210303 [0,2,0,0,0,0|2,0,0]=4 4631 B12R1.308 CCCC(=O)c1ccccc1C 1458a_100000212026_100000210303 [0,2,0,0,0,0|2,0,0]=4 4632 B12R1.308 CCCC(=O)c1ccccc1Cl 1458a_100000185844_100000210303 [0,2,0,0,0,0|2,0,0]=4 4633 B12R1.308 CCCC(=O)c1ccccc1F 1458a_100000188656_100000210303 [0,2,0,0,0,0|2,0,0]=4 4634 B12R1.308 CCCC(=O)c1ccccc1I 1458a_100000187884_100000210303 [0,2,0,0,0,0|2,0,0]=4 4635 B12R1.308 CCCC(=O)c1ccccc1O 1458a_100015234032_100000210303 [0,2,0,0,0,0|1,0,0]=3 4636 B12R1.308 CCCC(=O)c1ccccc1[O-] 1458a_100009911694_100000210303 [0,2,0,0,0,0|1,0,1]=4 4637 B12R1.308 CCNC(=O)c1ccccc1Br 11a_100015525214_100000188424 [0,2,0,0,0,0|2,0,0]=4 4638 B12R1.308 CCNC(=O)c1ccccc1Br 240690a_100015525214_100000188424 [0,2,0,0,0,0|2,0,0]=4 4639 B12R1.308 CCNC(=O)c1ccccc1Br 527a_100015525214_100000188424 [0,2,0,0,0,0|2,0,0]=4 4640 B12R1.308 CCNC(=O)c1ccccc1C 11a_100015525214_100000212026 [0,2,0,0,0,0|2,0,0]=4 4641 B12R1.308 CCNC(=O)c1ccccc1C 240690a_100015525214_100000212026 [0,2,0,0,0,0|2,0,0]=4 4642 B12R1.308 CCNC(=O)c1ccccc1C 527a_100015525214_100000212026 [0,2,0,0,0,0|2,0,0]=4 4643 B12R1.308 CCNC(=O)c1ccccc1Cl 11a_100015525214_100000185844 [0,2,0,0,0,0|2,0,0]=4 4644 B12R1.308 CCNC(=O)c1ccccc1Cl 240690a_100015525214_100000185844 [0,2,0,0,0,0|2,0,0]=4 4645 B12R1.308 CCNC(=O)c1ccccc1Cl 527a_100015525214_100000185844 [0,2,0,0,0,0|2,0,0]=4 4646 B12R1.308 CCNC(=O)c1ccccc1F 11a_100015525214_100000188656 [0,2,0,0,0,0|2,0,0]=4 4647 B12R1.308 CCNC(=O)c1ccccc1F 240690a_100015525214_100000188656 [0,2,0,0,0,0|2,0,0]=4 4648 B12R1.308 CCNC(=O)c1ccccc1F 527a_100015525214_100000188656 [0,2,0,0,0,0|2,0,0]=4 4649 B12R1.308 CCNC(=O)c1ccccc1I 11a_100015525214_100000187884 [0,2,0,0,0,0|2,0,0]=4 4650 B12R1.308 CCNC(=O)c1ccccc1I 240690a_100015525214_100000187884 [0,2,0,0,0,0|2,0,0]=4 4651 B12R1.308 CCNC(=O)c1ccccc1I 527a_100015525214_100000187884 [0,2,0,0,0,0|2,0,0]=4 4652 B12R1.308 CCNC(=O)c1ccccc1O 240690a_100015525214_100015234032 [0,2,0,0,0,0|1,0,0]=3 4653 B12R1.308 CCNC(=O)c1ccccc1O 271570a_203496583355_200000155173 [0,2,0,0,0,0|1,0,0]=3 4654 B12R1.308 CCNC(=O)c1ccccc1[O-] 240690a_100015525214_100009911694 [0,2,0,0,0,0|1,0,1]=4 4655 B12R1.308 CCNC(=O)c1ccccc1[O-] 527a_100015525214_100009911694 [0,2,0,0,0,0|1,0,1]=4 4656 B12R1.308 CCNC(=O)c1cccnc1O 271570a_203496583355_100000160120 [0,2,0,0,0,0|2,0,0]=4 4657 B12R1.308 CCOC(=O)c1ccccc1O 271570a_203496583355_100000169879 [0,2,0,0,0,0|0,0,0]=2 4658 B12R1.308 CCOC(=O)c1cccnc1O 271570a_203496583355_100000170124 [0,2,0,0,0,0|1,0,0]=3 4659 B12R1.308 CCOC(=O)c1ccncc1O 271570a_203496583355_100010238393 [0,2,0,0,0,0|1,0,0]=3 4660 B12R1.308 CCOC(=O)c1cnccc1O 271570a_203496583355_100016987518 [0,2,0,0,0,0|1,0,0]=3 4661 B12R1.308 CCOC(=O)c1cncnc1O 271570a_203496583355_100011998183 [0,2,0,0,0,0|2,0,0]=4 4662 B12R1.308 CCOC(=O)c1ncccc1O 271570a_203496583355_100012351660 [0,2,0,0,0,0|1,0,0]=3 4663 B12R1.308 CCOC(=O)c1ncncc1O 271570a_203496583355_100012344254 [0,2,0,0,0,0|2,0,0]=4 4664 B12R1.308 CN(CC=O)c1ccccc1O 269982a_100000033821_200015260668 [0,2,0,0,0,0|2,0,0]=4 4665 B12R1.308 CN(CCO)c1ccccc1O 269982a_100000033821_100000211926 [0,2,0,0,0,0|2,0,0]=4 4666 B12R1.308 CNCC(=O)c1ccccc1Br 34a_100102657272_100000199116 [0,2,0,0,0,0|2,0,0]=4 4667 B12R1.308 CNCC(=O)c1ccccc1C 2230a_106832991635_100000741374 [0,2,0,0,0,0|2,0,0]=4 4668 B12R1.308 CNCC(=O)c1ccccc1C 34a_100102657272_100000741374 [0,2,0,0,0,0|2,0,0]=4 4669 B12R1.308 CNCC(=O)c1ccccc1C 7a_106832991635_100000741374 [0,2,0,0,0,0|2,0,0]=4 4670 B12R1.308 CNCC(=O)c1ccccc1Cl 34a_100102657272_100000211432 [0,2,0,0,0,0|2,0,0]=4 4671 B12R1.308 CNCC(=O)c1ccccc1F 34a_100102657272_100000204681 [0,2,0,0,0,0|2,0,0]=4 4672 B12R1.308 CNCC(=O)c1ccccc1F 7a_106832991635_100000204681 [0,2,0,0,0,0|2,0,0]=4 4673 B12R1.308 CNCC(=O)c1ccccc1O 7a_106832991635_100000188908 [0,2,0,0,0,0|1,0,0]=3 4674 B12R1.308 CNNC(=O)c1ccccc1Br 22a_100016993582_100000188424 [0,2,0,0,0,0|2,0,0]=4 4675 B12R1.308 CNNC(=O)c1ccccc1C 22a_100016993582_100000212026 [0,2,0,0,0,0|2,0,0]=4 4676 B12R1.308 CNNC(=O)c1ccccc1Cl 22a_100016993582_100000185844 [0,2,0,0,0,0|2,0,0]=4 4677 B12R1.308 CNNC(=O)c1ccccc1F 22a_100016993582_100000188656 [0,2,0,0,0,0|2,0,0]=4 4678 B12R1.308 CNNC(=O)c1ccccc1I 22a_100016993582_100000187884 [0,2,0,0,0,0|2,0,0]=4 4679 B12R1.308 CNNC(=O)c1ccccc1O 22a_100016993582_100015234032 [0,2,0,0,0,0|1,0,0]=3 4680 B12R1.308 CNNC(=O)c1ccccc1[O-] 22a_100016993582_100009911694 [0,2,0,0,0,0|1,0,1]=4 4681 B12R1.308 COCC(=O)c1ccccc1Br 34a_100138415774_100000199116 [0,2,0,0,0,0|1,0,0]=3 4682 B12R1.308 COCC(=O)c1ccccc1C 34a_100138415774_100000741374 [0,2,0,0,0,0|1,0,0]=3 4683 B12R1.308 COCC(=O)c1ccccc1Cl 34a_100138415774_100000211432 [0,2,0,0,0,0|1,0,0]=3 4684 B12R1.308 COCC(=O)c1ccccc1F 34a_100138415774_100000204681 [0,2,0,0,0,0|1,0,0]=3 4685 B12R1.308 COCN(C)c1ccccc1O 269982a_100000033821_100000766300 [0,2,0,0,0,0|2,0,0]=4 4686 B12R1.308 CSCC(=O)c1ccccc1Br 62a_100000199116_200000210301 [0,2,0,0,0,0|1,1,0]=4 4687 B12R1.308 CSCC(=O)c1ccccc1C 62a_100000741374_200000210301 [0,2,0,0,0,0|1,1,0]=4 4688 B12R1.308 CSCC(=O)c1ccccc1C 62a_200000210301_100000741374 [0,2,0,0,0,0|1,1,0]=4 4689 B12R1.308 CSCC(=O)c1ccccc1Cl 62a_100000211432_200000210301 [0,2,0,0,0,0|1,1,0]=4 4690 B12R1.308 CSCC(=O)c1ccccc1Cl 62a_200000210301_100000211432 [0,2,0,0,0,0|1,1,0]=4 4691 B12R1.308 CSCC(=O)c1ccccc1F 62a_100000204681_200000210301 [0,2,0,0,0,0|1,1,0]=4 4692 B12R1.308 CSCC(=O)c1ccccc1F 62a_200000210301_100000204681 [0,2,0,0,0,0|1,1,0]=4 4693 B12R1.308 CSCC(=O)c1ccccc1O 62a_100000188908_200000210301 [0,2,0,0,0,0|0,1,0]=3 4694 B12R1.308 CSCC(=O)c1ccccc1O 62a_200000210301_100000188908 [0,2,0,0,0,0|0,1,0]=3 4695 B12R1.308 Cc1ccccc1C(=O)CC#N 1458a_100000212026_100011214920 [0,2,0,0,0,0|2,0,0]=4 4696 B12R1.308 Cc1ccccc1C(=O)CCF 1458a_100000212026_100011217306 [0,2,0,0,0,0|2,0,0]=4 4697 B12R1.308 Cc1ccccc1C(=O)CCO 1458a_100000212026_100000211926 [0,2,0,0,0,0|1,0,0]=3 4698 B12R1.308 Cc1ccccc1C(=O)CS[13CH3] 62a_100000741374_200025704644 [0,2,0,0,0,0|1,1,0]=4 4699 B12R1.308 Cc1ccccc1C(=O)CS[13CH3] 62a_200025704644_100000741374 [0,2,0,0,0,0|1,1,0]=4 4700 B12R1.308 N#CCC(=O)c1ccccc1Br 1458a_100000188424_100011214920 [0,2,0,0,0,0|2,0,0]=4 4701 B12R1.308 N#CCC(=O)c1ccccc1Cl 1458a_100000185844_100011214920 [0,2,0,0,0,0|2,0,0]=4 4702 B12R1.308 N#CCC(=O)c1ccccc1F 1458a_100000188656_100011214920 [0,2,0,0,0,0|2,0,0]=4 4703 B12R1.308 N#CCC(=O)c1ccccc1I 1458a_100000187884_100011214920 [0,2,0,0,0,0|2,0,0]=4 4704 B12R1.308 N#CCC(=O)c1ccccc1O 1458a_100015234032_100011214920 [0,2,0,0,0,0|1,0,0]=3 4705 B12R1.308 N#CCC(=O)c1ccccc1O 271570a_203496583355_100011225204 [0,2,0,0,0,0|1,0,0]=3 4706 B12R1.308 N#CCC(=O)c1ccccc1[O-] 1458a_100009911694_100011214920 [0,2,0,0,0,0|1,0,1]=4 4707 B12R1.308 O=C(CCF)c1ccccc1Br 1458a_100000188424_100011217306 [0,2,0,0,0,0|2,0,0]=4 4708 B12R1.308 O=C(CCF)c1ccccc1Cl 1458a_100000185844_100011217306 [0,2,0,0,0,0|2,0,0]=4 4709 B12R1.308 O=C(CCF)c1ccccc1F 1458a_100000188656_100011217306 [0,2,0,0,0,0|2,0,0]=4 4710 B12R1.308 O=C(CCF)c1ccccc1I 1458a_100000187884_100011217306 [0,2,0,0,0,0|2,0,0]=4 4711 B12R1.308 O=C(CCF)c1ccccc1O 1458a_100015234032_100011217306 [0,2,0,0,0,0|1,0,0]=3 4712 B12R1.308 O=C(CCF)c1ccccc1[O-] 1458a_100009911694_100011217306 [0,2,0,0,0,0|1,0,1]=4 4713 B12R1.308 O=C(CCO)c1ccccc1Br 1458a_100000188424_100000211926 [0,2,0,0,0,0|1,0,0]=3 4714 B12R1.308 O=C(CCO)c1ccccc1Cl 1458a_100000185844_100000211926 [0,2,0,0,0,0|1,0,0]=3 4715 B12R1.308 O=C(CCO)c1ccccc1F 1458a_100000188656_100000211926 [0,2,0,0,0,0|1,0,0]=3 4716 B12R1.308 O=C(CCO)c1ccccc1I 1458a_100000187884_100000211926 [0,2,0,0,0,0|1,0,0]=3 4717 B12R1.308 O=C(CCO)c1ccccc1O 1458a_100015234032_100000211926 [0,2,0,0,0,0|0,0,0]=2 4718 B12R1.308 O=C(CCO)c1ccccc1[O-] 1458a_100009911694_100000211926 [0,2,0,0,0,0|0,0,1]=3 4719 B12R1.308 [13CH3]SCC(=O)c1ccccc1Br 62a_100000199116_200025704644 [0,2,0,0,0,0|1,1,0]=4 4720 B12R1.308 [13CH3]SCC(=O)c1ccccc1Cl 62a_100000211432_200025704644 [0,2,0,0,0,0|1,1,0]=4 4721 B12R1.308 [13CH3]SCC(=O)c1ccccc1Cl 62a_200025704644_100000211432 [0,2,0,0,0,0|1,1,0]=4 4722 B12R1.308 [13CH3]SCC(=O)c1ccccc1F 62a_100000204681_200025704644 [0,2,0,0,0,0|1,1,0]=4 4723 B12R1.308 [13CH3]SCC(=O)c1ccccc1F 62a_200025704644_100000204681 [0,2,0,0,0,0|1,1,0]=4 4724 B12R1.308 [13CH3]SCC(=O)c1ccccc1O 62a_100000188908_200025704644 [0,2,0,0,0,0|0,1,0]=3 4725 B12R1.308 [13CH3]SCC(=O)c1ccccc1O 62a_200025704644_100000188908 [0,2,0,0,0,0|0,1,0]=3 4726 B10R1.10 CC=Cc1cccc(=O)[nH]1 271570a_100016259895_100000761760 [0,0,1,1,0,0|2,0,0]=4 4727 B10R1.10 CC=Cc1cccc(c1)O 271570a_100016259895_100000211634 [0,0,1,1,0,0|2,0,0]=4 4728 B10R1.66 CC(=O)C=Cc1cccs1 1458a_100000182767_200000210301 [0,0,1,1,0,0|1,1,0]=4 4729 B10R1.66 CC(O)C=Cc1ccco1 271570a_200011019289_100009814098 [0,0,1,1,0,0|1,0,1]=4 4730 B10R1.66 [13CH3]C(=O)C=Cc1cccs1 1458a_100000182767_200025704644 [0,0,1,1,0,0|1,1,0]=4 4731 B10R1.8 C=Cc1cc(cc(c1)Br)O 271570a_100011290941_100010068917 [0,0,1,1,0,0|2,0,0]=4 4732 B10R1.8 C=Cc1cc(cc(c1)Cl)O 271570a_100011290941_100010068924 [0,0,1,1,0,0|2,0,0]=4 4733 B10R1.8 C=Cc1cc(cc(c1)F)O 271570a_100011290941_100000717995 [0,0,1,1,0,0|2,0,0]=4 4734 B10R1.8 C=Cc1cc(cc(c1)O)C 271570a_100011290941_100011999630 [0,0,1,1,0,0|2,0,0]=4 4735 B10R1.8 C=Cc1cc(cc(c1)O)O 271570a_100011290941_100009868816 [0,0,1,1,0,0|1,0,0]=3 4736 B10R1.8 O=Cc1cc(cc(c1)O)O 271570a_203496583355_100010176088 [0,0,1,1,0,0|2,0,0]=4 4737 B10R1.31 C=Cc1cc(cs1)C(=O)C 271570a_100011290941_200012344231 [0,0,1,1,0,0|1,1,0]=4 4738 B10R1.31 C=Cc1cc(cs1)C(=O)N 271570a_100011290941_100000747962 [0,0,1,1,0,0|1,1,0]=4 4739 B10R1.31 C=Cc1nc(co1)C(=O)N 271570a_100011290941_100009981048 [0,0,1,1,0,0|2,0,0]=4 4740 B12R2.24 Oc1cc2ccccc2cn1 271570a_203496583355_100000047361 [0,0,0,1,0,1|2,0,0]=4 4741 B12R2.24 Oc1ccc2ccccc2c1 271570a_203496583355_100000233703 [0,0,0,1,0,1|2,0,0]=4 4742 B12R2.24 Oc1ccc2ccccc2n1 271570a_203496583355_100011291633 [0,0,0,1,0,1|2,0,0]=4 4743 B12R2.24 Oc1cnc2ccccc2c1 271570a_203496583355_100000737414 [0,0,0,1,0,1|2,0,0]=4 4744 B12R2.24 Oc1cnc2ccccc2n1 271570a_203496583355_100000756483 [0,0,0,1,0,1|2,0,0]=4 4745 B12R2.24 Oc1ncc2ccccc2n1 271570a_203496583355_100000097389 [0,0,0,1,0,1|2,0,0]=4 4746 B12R2.202 CC1=Cc2cccc(c2C1)O 271570a_203496583355_100010271545 [0,0,0,1,0,1|2,0,0]=4 4747 B12R2.202 Cc1cc2c(cccc2[nH]1)O 271570a_203496583355_100010143266 [0,0,0,1,0,1|2,0,0]=4 4748 B12R2.202 Cc1cccc2c1nc(s2)O 271570a_203496583355_100010008827 [0,0,0,1,0,1|1,1,0]=4 4749 B12R2.202 Cc1nc2c(cccc2[nH]1)O 271570a_203496583355_100012360556 [0,0,0,1,0,1|2,0,0]=4 4750 B12R2.202 Cc1nc2c(cccc2o1)O 271570a_203496583355_100010883239 [0,0,0,1,0,1|1,0,0]=3 4751 B12R2.202 Cc1nc2c(cccc2s1)O 271570a_203496583355_100010236672 [0,0,0,1,0,1|1,1,0]=4 4752 B12R2.202 Cc1nc2cccc(c2o1)O 271570a_203496583355_100010168998 [0,0,0,1,0,1|2,0,0]=4 4753 B12R2.202 Cc1nc2cccc(c2s1)O 271570a_203496583355_100010236699 [0,0,0,1,0,1|2,0,0]=4 4754 B12R2.202 Nc1cc2cccc(c2s1)O 271570a_203496583355_100010090802 [0,0,0,1,0,1|2,0,0]=4 4755 B12R2.202 Nc1nc2c(cccc2[nH]1)O 271570a_203496583355_100012356985 [0,0,0,1,0,1|2,0,0]=4 4756 B12R2.202 Nc1nc2c(cccc2s1)O 271570a_203496583355_100000724365 [0,0,0,1,0,1|1,1,0]=4 4757 B12R2.202 Nc1nc2cccc(c2o1)O 271570a_203496583355_100012347120 [0,0,0,1,0,1|2,0,0]=4 4758 B12R2.202 Nc1nc2cccc(c2s1)O 271570a_203496583355_100010235960 [0,0,0,1,0,1|2,0,0]=4 4759 B12R2.202 O=C1Cc2c(cccc2N1)O 271570a_203496583355_100009816812 [0,0,0,1,0,1|1,0,0]=3 4760 B12R2.202 O=C1Cc2c(ccnc2N1)O 271570a_203496583355_100000104061 [0,0,0,1,0,1|2,0,0]=4 4761 B12R2.202 O=C1Cc2cccc(c2C1)O 271570a_203496583355_100010205903 [0,0,0,1,0,1|1,0,0]=3 4762 B12R2.202 O=C1Cc2cccc(c2N1)O 271570a_203496583355_100000767046 [0,0,0,1,0,1|1,0,0]=3 4763 B12R2.202 O=c1[nH]c2cccc(c2o1)O 271570a_203496583355_100012360093 [0,0,0,1,0,1|1,0,0]=3 4764 B12R2.202 O=c1[nH]c2nccc(c2[nH]1)O 271570a_203496583355_100009840862 [0,0,0,1,0,1|2,0,0]=4 4765 B12R2.202 Oc1cc2c(nccc2s1)O 271570a_203496583355_100010116216 [0,0,0,1,0,1|1,1,0]=4 4766 B12R2.202 Oc1cc2cccc(c2[nH]1)Br 271570a_203496583355_100135389745 [0,0,0,1,0,1|2,0,0]=4 4767 B12R2.202 Oc1cccc2c1CC(C2)O 271570a_203496583355_100010752598 [0,0,0,1,0,1|1,0,1]=4 4768 B12R2.202 Oc1nc2c(cccc2[nH]1)O 271570a_203496583355_100012347640 [0,0,0,1,0,1|1,0,0]=3 4769 B12R2.202 Oc1nc2c(cccc2s1)F 271570a_203496583355_100010008856 [0,0,0,1,0,1|1,1,0]=4 4770 B12R2.202 Oc1nc2c(cncc2[nH]1)O 271570a_203496583355_100012340553 [0,0,0,1,0,1|2,0,0]=4 4771 B12R2.3190 CC(=O)C1Cc2c1cccc2 1458a_200000238571_200000210301 [0,0,0,1,0,1|2,0,0]=4 4772 B12R2.3190 [13CH3]C(=O)C1Cc2c1cccc2 1458a_200000238571_200025704644 [0,0,0,1,0,1|2,0,0]=4 4773 B12R2.1081 Oc1cccc2c1cccc2 271570a_203496583355_100000210605 [0,1,0,1,0,0|2,0,0]=4 4774 B12R2.1081 Oc1ccnc2c1cccc2 271570a_203496583355_100011215880 [0,1,0,1,0,0|2,0,0]=4 4775 B12R2.1081 Oc1cncc2c1cccc2 271570a_203496583355_100000187577 [0,1,0,1,0,0|2,0,0]=4 4776 B12R2.1081 Oc1cnnc2c1cccc2 271570a_203496583355_100000063506 [0,1,0,1,0,0|2,0,0]=4 4777 B12R2.1081 Oc1nccc2c1cccc2 271570a_203496583355_100011934041 [0,1,0,1,0,0|2,0,0]=4 4778 B12R2.1081 Oc1ncnc2c1cccc2 271570a_203496583355_100000217608 [0,1,0,1,0,0|2,0,0]=4 4779 B12R2.2028 Cn1nc(c2c1cccc2)O 271570a_203496583355_100009817141 [0,1,0,1,0,0|2,0,0]=4 4780 B12R2.203 Cc1c[nH]c2c1c(ccc2)O 271570a_203496583355_100010194227 [0,1,0,1,0,0|2,0,0]=4 4781 B12R2.203 Cc1cccc2c1c(n[nH]2)O 271570a_203496583355_100000049903 [0,1,0,1,0,0|2,0,0]=4 4782 B12R2.203 Cc1n[nH]c2c1c(ccc2)O 271570a_203496583355_100010205804 [0,1,0,1,0,0|2,0,0]=4 4783 B12R2.203 Nc1cccc2c1c(n[nH]2)O 271570a_203496583355_100010186038 [0,1,0,1,0,0|2,0,0]=4 4784 B12R2.203 Nc1n[nH]c2c1c(ccc2)O 271570a_203496583355_100000049960 [0,1,0,1,0,0|2,0,0]=4 4785 B12R2.203 Nc1nccc2c1c(co2)O 271570a_203496583355_200010135222 [0,1,0,1,0,0|2,0,0]=4 4786 B12R2.203 Nc1noc2c1c(ccc2)O 271570a_203496583355_100012361266 [0,1,0,1,0,0|1,0,0]=3 4787 B12R2.203 O=C1CCc2c1c(ccc2)O 271570a_203496583355_100009816781 [0,1,0,1,0,0|1,0,0]=3 4788 B12R2.203 O=C1COc2c1c(ccc2)O 271570a_203496583355_100010205902 [0,1,0,1,0,0|0,0,0]=2 4789 B12R2.203 O=C1NCc2c1c(ccc2)O 271570a_203496583355_100000724024 [0,1,0,1,0,0|1,0,0]=3 4790 B12R2.203 O=C1OCc2c1c(ccc2)O 271570a_203496583355_100010132333 [0,1,0,1,0,0|0,0,0]=2 4791 B12R2.203 O=c1[nH][nH]c2c1c(ccc2)O 271570a_203496583355_100010170957 [0,1,0,1,0,0|1,0,0]=3 4792 B12R2.203 Oc1c[nH]c2c1c(ncc2)O 271570a_203496583355_100010168626 [0,1,0,1,0,0|2,0,0]=4 4793 B12R2.203 Oc1cccc2c1C(CS2)O 271570a_203496583355_200010991195 [0,1,0,1,0,0|0,1,1]=4 4794 B12R2.203 Oc1csc2c1c(ncc2)O 271570a_203496583355_100010126227 [0,1,0,1,0,0|1,1,0]=4 4795 B12R2.203 Oc1n[nH]c2c1c(ccc2)Br 271570a_203496583355_100010186043 [0,1,0,1,0,0|2,0,0]=4 4796 B12R2.203 Oc1n[nH]c2c1c(ccc2)Cl 271570a_203496583355_100000049730 [0,1,0,1,0,0|2,0,0]=4 4797 B12R2.203 Oc1n[nH]c2c1c(ccc2)F 271570a_203496583355_100000049989 [0,1,0,1,0,0|2,0,0]=4 4798 B12R2.196 Cc1cccc2c1[nH]nc2O 271570a_203496583355_100010186057 [0,1,0,1,0,0|2,0,0]=4 4799 B12R2.196 Nc1cccc2c1[nH]nc2O 271570a_203496583355_100009888981 [0,1,0,1,0,0|2,0,0]=4 4800 B12R2.196 Nc1noc2c1cccc2O 271570a_203496583355_100010069758 [0,1,0,1,0,0|2,0,0]=4 4801 B12R2.196 O=C1CCc2c1cccc2O 271570a_203496583355_100000744605 [0,1,0,1,0,0|2,0,0]=4 4802 B12R2.196 O=C1COc2c1cccc2O 271570a_203496583355_100011230590 [0,1,0,1,0,0|1,0,0]=3 4803 B12R2.196 O=C1NCc2c1cccc2O 271570a_203496583355_100000688282 [0,1,0,1,0,0|2,0,0]=4 4804 B12R2.196 O=C1OCc2c1cccc2O 271570a_203496583355_100010167076 [0,1,0,1,0,0|1,0,0]=3 4805 B12R2.196 O=c1[nH][nH]c2c1cccc2O 271570a_203496583355_100012199144 [0,1,0,1,0,0|2,0,0]=4 4806 B12R2.196 Oc1n[nH]c2c1cccc2Br 271570a_203496583355_100010197283 [0,1,0,1,0,0|2,0,0]=4 4807 B12R2.196 Oc1n[nH]c2c1cccc2Cl 271570a_203496583355_100000050086 [0,1,0,1,0,0|2,0,0]=4 4808 B12R2.196 Oc1n[nH]c2c1cccc2F 271570a_203496583355_100010231504 [0,1,0,1,0,0|2,0,0]=4 4809 B12R2.196 Oc1n[nH]c2c1cccc2O 271570a_203496583355_200010988877 [0,1,0,1,0,0|2,0,0]=4 4810 B12R2.612 Cc1ccc2c(n[nH]c2c1)O 271570a_203496583355_100000049534 [0,1,0,1,0,0|2,0,0]=4 4811 B12R2.612 Cc1coc2c1ccc(c2)O 271570a_203496583355_100010775837 [0,1,0,1,0,0|2,0,0]=4 4812 B12R2.612 Cc1noc2c1ccc(c2)O 271570a_203496583355_100009815287 [0,1,0,1,0,0|2,0,0]=4 4813 B12R2.612 Nc1ccc2c(n[nH]c2c1)O 271570a_203496583355_100009816878 [0,1,0,1,0,0|2,0,0]=4 4814 B12R2.612 Nc1noc2c1ccc(c2)O 271570a_203496583355_100012356334 [0,1,0,1,0,0|2,0,0]=4 4815 B12R2.612 O=C1C=Cc2c1ccc(c2)O 271570a_203496583355_100010210589 [0,1,0,1,0,0|2,0,0]=4 4816 B12R2.612 O=C1CCc2c1ccc(c2)O 271570a_203496583355_100000737041 [0,1,0,1,0,0|2,0,0]=4 4817 B12R2.612 O=C1COc2c1ccc(c2)O 271570a_203496583355_100000686717 [0,1,0,1,0,0|1,0,0]=3 4818 B12R2.612 O=C1NCc2c1ccc(c2)O 271570a_203496583355_100000692135 [0,1,0,1,0,0|2,0,0]=4 4819 B12R2.612 O=C1OCc2c1ccc(c2)O 271570a_203496583355_100009816608 [0,1,0,1,0,0|1,0,0]=3 4820 B12R2.612 O=c1[nH][nH]c2c1ccc(c2)O 271570a_203496583355_100012353722 [0,1,0,1,0,0|2,0,0]=4 4821 B12R2.612 Oc1ccc2c(noc2c1)O 271570a_203496583355_100000727085 [0,1,0,1,0,0|1,0,0]=3 4822 B12R2.612 Oc1n[nH]c2c1ccc(c2)Br 271570a_203496583355_100010186045 [0,1,0,1,0,0|2,0,0]=4 4823 B12R2.612 Oc1n[nH]c2c1ccc(c2)Cl 271570a_203496583355_100000049627 [0,1,0,1,0,0|2,0,0]=4 4824 B12R2.612 Oc1n[nH]c2c1ccc(c2)F 271570a_203496583355_100000049990 [0,1,0,1,0,0|2,0,0]=4 4825 B12R2.132 Cc1ccc2[nH]nc(c2c1)O 271570a_203496583355_100000123028 [0,1,0,1,0,0|2,0,0]=4 4826 B12R2.132 Cc1coc2c1cc(cc2)O 271570a_203496583355_100000728893 [0,1,0,1,0,0|2,0,0]=4 4827 B12R2.132 Cc1noc2c1cc(cc2)O 271570a_203496583355_100010196875 [0,1,0,1,0,0|2,0,0]=4 4828 B12R2.132 Nc1ccc2[nH]nc(c2c1)O 271570a_203496583355_100012353729 [0,1,0,1,0,0|2,0,0]=4 4829 B12R2.132 Nc1ccc2scc(c2c1)O 271570a_203496583355_100011178648 [0,1,0,1,0,0|1,1,0]=4 4830 B12R2.132 Nc1noc2c1cc(cc2)O 271570a_203496583355_100012356444 [0,1,0,1,0,0|2,0,0]=4 4831 B12R2.132 O=C1CCc2c1cc(cc2)O 271570a_203496583355_100000759401 [0,1,0,1,0,0|2,0,0]=4 4832 B12R2.132 O=C1COc2c1cc(cc2)O 271570a_203496583355_100000752586 [0,1,0,1,0,0|1,0,0]=3 4833 B12R2.132 O=C1NCc2c1cc(cc2)O 271570a_203496583355_100010171230 [0,1,0,1,0,0|2,0,0]=4 4834 B12R2.132 O=C1OCc2c1cc(cc2)O 271570a_203496583355_100000693025 [0,1,0,1,0,0|1,0,0]=3 4835 B12R2.132 O=c1[nH][nH]c2c1cc(cc2)O 271570a_203496583355_100012353726 [0,1,0,1,0,0|2,0,0]=4 4836 B12R2.132 O=c1[nH]oc2c1cc(cc2)O 271570a_203496583355_100000732257 [0,1,0,1,0,0|1,0,0]=3 4837 B12R2.132 Oc1n[nH]c2c1cc(cc2)Br 271570a_203496583355_100010186058 [0,1,0,1,0,0|2,0,0]=4 4838 B12R2.132 Oc1n[nH]c2c1cc(cc2)Cl 271570a_203496583355_100010174404 [0,1,0,1,0,0|2,0,0]=4 4839 B12R2.132 Oc1n[nH]c2c1cc(cc2)F 271570a_203496583355_100011934747 [0,1,0,1,0,0|2,0,0]=4 4840 B12R2.1 C=Cc1coc2c1cccc2 271570a_100011290941_100009812202 [0,1,0,1,0,0|2,0,0]=4 4841 B12R2.1 COc1csc2c1cccc2 34a_100000077758_200000210301 [0,1,0,1,0,0|1,1,0]=4 4842 B12R2.1 COc1csc2c1cccc2 7a_100000077758_200000210301 [0,1,0,1,0,0|1,1,0]=4 4843 B12R2.1 CSc1coc2c1cccc2 62a_200000210301_100009812202 [0,1,0,1,0,0|1,1,0]=4 4844 B12R2.1 CSc1noc2c1cccc2 62a_200000210301_200000703156 [0,1,0,1,0,0|1,1,0]=4 4845 B12R2.1 CSc1noc2c1cccc2 62a_200000703156_200000210301 [0,1,0,1,0,0|1,1,0]=4 4846 B12R2.1 [13CH3]Oc1csc2c1cccc2 34a_100000077758_200025704644 [0,1,0,1,0,0|1,1,0]=4 4847 B12R2.1 [13CH3]Oc1csc2c1cccc2 7a_100000077758_200025704644 [0,1,0,1,0,0|1,1,0]=4 4848 B12R2.1 [13CH3]Sc1coc2c1cccc2 62a_200025704644_100009812202 [0,1,0,1,0,0|1,1,0]=4 4849 B12R2.1 [13CH3]Sc1noc2c1cccc2 62a_200000703156_200025704644 [0,1,0,1,0,0|1,1,0]=4 4850 B12R2.1 [13CH3]Sc1noc2c1cccc2 62a_200025704644_200000703156 [0,1,0,1,0,0|1,1,0]=4 4851 B12R2.18 Cc1c(sc2c1cccc2)O 271570a_203496583355_200010198769 [0,1,0,1,0,0|1,1,0]=4 4852 B12R2.18 Cc1oc2ccccc2c1O 271570a_203496583355_200010236113 [0,1,0,1,0,0|1,0,0]=3 4853 B12R2.18 Cc1sc2ccccc2c1O 271570a_203496583355_100010002616 [0,1,0,1,0,0|1,1,0]=4 4854 B12R2.18 Cn1nc2ccccc2c1O 271570a_203496583355_100010163699 [0,1,0,1,0,0|2,0,0]=4 4855 B8R1.11 O=Cc1ccsc1O 271570a_203496583355_100009816921 [1,0,0,0,1,0|1,0,0]=3 4856 B8R1.11 O=Cc1cscc1O 271570a_203496583355_100000685484 [1,0,0,0,1,0|1,0,0]=3 4857 B8R1.11 O=Cc1occc1O 271570a_203496583355_100000756499 [1,0,0,0,1,0|1,0,0]=3 4858 B8R1.11 O=Cc1sccc1O 271570a_203496583355_100000766043 [1,0,0,0,1,0|1,0,0]=3 4859 B8R1.11 OCc1ccsc1O 271570a_203496583355_100009816922 [1,0,0,0,1,0|1,0,1]=4 4860 B8R1.11 OCc1cscc1O 271570a_203496583355_100000724555 [1,0,0,0,1,0|1,0,1]=4 4861 B8R1.11 OCc1sccc1O 271570a_203496583355_100000702026 [1,0,0,0,1,0|1,0,1]=4 4862 B12R1.125 C=C(C)CNc1ccccc1O 34a_100000185747_100000748629 [0,0,0,0,0,2|2,0,0]=4 4863 B12R1.125 C=C(C)CSc1ccccc1O 62a_100000739446_100000211660 [0,0,0,0,0,2|2,0,0]=4 4864 B12R1.125 C=C(C)CSc1ccccc1O 62a_100000748629_100000739446 [0,0,0,0,0,2|2,0,0]=4 4865 B12R1.125 C=C(F)CNc1ccccc1O 34a_100000185747_100009893438 [0,0,0,0,0,2|2,0,0]=4 4866 B12R1.125 C=C(F)CSc1ccccc1O 62a_100000042424_100000739446 [0,0,0,0,0,2|2,0,0]=4 4867 B12R1.125 C=C(F)CSc1ccccc1O 62a_100000739446_100000042424 [0,0,0,0,0,2|2,0,0]=4 4868 B12R1.125 CC(=O)C#Cc1ccccc1F 1458a_100011892747_200000210301 [0,0,0,0,0,2|2,0,0]=4 4869 B12R1.125 CC(=O)C=Cc1ccccc1Br 1458a_100000719032_200000210301 [0,0,0,0,0,2|2,0,0]=4 4870 B12R1.125 CC(=O)C=Cc1ccccc1Cl 1458a_100000720304_200000210301 [0,0,0,0,0,2|2,0,0]=4 4871 B12R1.125 CC(=O)C=Cc1ccccc1F 1458a_100016256065_200000210301 [0,0,0,0,0,2|2,0,0]=4 4872 B12R1.125 CC(=O)C=Cc1ccccc1O 1458a_100016263591_200000210301 [0,0,0,0,0,2|1,0,0]=3 4873 B12R1.125 CC(=O)CCc1ccccc1Br 1458a_100000070787_100012161201 [0,0,0,0,0,2|2,0,0]=4 4874 B12R1.125 CC(=O)CCc1ccccc1Br 1458a_100000740810_200000210301 [0,0,0,0,0,2|2,0,0]=4 4875 B12R1.125 CC(=O)CCc1ccccc1C 1458a_100000070787_100011713688 [0,0,0,0,0,2|2,0,0]=4 4876 B12R1.125 CC(=O)CCc1ccccc1C 1458a_100000748742_200000210301 [0,0,0,0,0,2|2,0,0]=4 4877 B12R1.125 CC(=O)CCc1ccccc1Cl 1458a_100000070787_100011713703 [0,0,0,0,0,2|2,0,0]=4 4878 B12R1.125 CC(=O)CCc1ccccc1Cl 1458a_100000184300_200000210301 [0,0,0,0,0,2|2,0,0]=4 4879 B12R1.125 CC(=O)CCc1ccccc1F 1458a_100000070787_100000720011 [0,0,0,0,0,2|2,0,0]=4 4880 B12R1.125 CC(=O)CCc1ccccc1F 1458a_100000189703_200000210301 [0,0,0,0,0,2|2,0,0]=4 4881 B12R1.125 CC(=O)CCc1ccccc1I 1458a_100000037306_200000210301 [0,0,0,0,0,2|2,0,0]=4 4882 B12R1.125 CC(=O)CCc1ccccc1O 1458a_100000070787_100000722297 [0,0,0,0,0,2|1,0,0]=3 4883 B12R1.125 CC(=O)CCc1ccccc1O 1458a_100000181328_200000210301 [0,0,0,0,0,2|1,0,0]=3 4884 B12R1.125 CC(=O)COc1ccccc1Br 1458a_100000216496_200000210301 [0,0,0,0,0,2|2,0,0]=4 4885 B12R1.125 CC(=O)COc1ccccc1C 1458a_100000182418_200000210301 [0,0,0,0,0,2|2,0,0]=4 4886 B12R1.125 CC(=O)COc1ccccc1Cl 1458a_100000185159_200000210301 [0,0,0,0,0,2|2,0,0]=4 4887 B12R1.125 CC(=O)COc1ccccc1F 1458a_100000182486_200000210301 [0,0,0,0,0,2|2,0,0]=4 4888 B12R1.125 CC(=O)COc1ccccc1O 1458a_100000183020_200000210301 [0,0,0,0,0,2|1,0,0]=3 4889 B12R1.125 CC(=O)CSc1ccccc1C 1458a_100000183026_200000210301 [0,0,0,0,0,2|2,0,0]=4 4890 B12R1.125 CC(=O)CSc1ccccc1F 1458a_100000179528_200000210301 [0,0,0,0,0,2|2,0,0]=4 4891 B12R1.125 CC(=O)CSc1ccccc1O 1458a_100000695322_200000210301 [0,0,0,0,0,2|1,0,0]=3 4892 B12R1.125 CC(=O)NCc1ccccc1Br 11a_100000689332_100015343762 [0,0,0,0,0,2|2,0,0]=4 4893 B12R1.125 CC(=O)NCc1ccccc1Br 1626a_100000689332_100015343762 [0,0,0,0,0,2|2,0,0]=4 4894 B12R1.125 CC(=O)NCc1ccccc1Br 240690a_100000689332_100015343762 [0,0,0,0,0,2|2,0,0]=4 4895 B12R1.125 CC(=O)NCc1ccccc1Br 527a_100000689332_100103153847 [0,0,0,0,0,2|2,0,0]=4 4896 B12R1.125 CC(=O)NCc1ccccc1C 11a_100000174972_100015343762 [0,0,0,0,0,2|2,0,0]=4 4897 B12R1.125 CC(=O)NCc1ccccc1C 1626a_100000174972_100015343762 [0,0,0,0,0,2|2,0,0]=4 4898 B12R1.125 CC(=O)NCc1ccccc1C 240690a_100000174972_100015343762 [0,0,0,0,0,2|2,0,0]=4 4899 B12R1.125 CC(=O)NCc1ccccc1C 527a_100000174972_100103153847 [0,0,0,0,0,2|2,0,0]=4 4900 B12R1.125 CC(=O)NCc1ccccc1Cl 11a_100000174879_100015343762 [0,0,0,0,0,2|2,0,0]=4 4901 B12R1.125 CC(=O)NCc1ccccc1Cl 1626a_100000174879_100015343762 [0,0,0,0,0,2|2,0,0]=4 4902 B12R1.125 CC(=O)NCc1ccccc1Cl 240690a_100000174879_100015343762 [0,0,0,0,0,2|2,0,0]=4 4903 B12R1.125 CC(=O)NCc1ccccc1Cl 527a_100000174879_100103153847 [0,0,0,0,0,2|2,0,0]=4 4904 B12R1.125 CC(=O)NCc1ccccc1F 11a_100000174869_100015343762 [0,0,0,0,0,2|2,0,0]=4 4905 B12R1.125 CC(=O)NCc1ccccc1F 1626a_100000174869_100015343762 [0,0,0,0,0,2|2,0,0]=4 4906 B12R1.125 CC(=O)NCc1ccccc1F 240690a_100000174869_100015343762 [0,0,0,0,0,2|2,0,0]=4 4907 B12R1.125 CC(=O)NCc1ccccc1F 527a_100000174869_100103153847 [0,0,0,0,0,2|2,0,0]=4 4908 B12R1.125 CC(=O)NCc1ccccc1I 11a_100015347259_100015343762 [0,0,0,0,0,2|2,0,0]=4 4909 B12R1.125 CC(=O)NCc1ccccc1I 1626a_100015347259_100015343762 [0,0,0,0,0,2|2,0,0]=4 4910 B12R1.125 CC(=O)NCc1ccccc1I 240690a_100015347259_100015343762 [0,0,0,0,0,2|2,0,0]=4 4911 B12R1.125 CC(=O)NCc1ccccc1I 527a_100015347259_100103153847 [0,0,0,0,0,2|2,0,0]=4 4912 B12R1.125 CC(=O)NCc1ccccc1O 240690a_100000185550_100015343762 [0,0,0,0,0,2|1,0,0]=3 4913 B12R1.125 CC(=O)NCc1ccccc1O 271570a_203496583355_100011237613 [0,0,0,0,0,2|1,0,0]=3 4914 B12R1.125 CC(=O)NCc1ccccc1O 527a_100000185550_100103153847 [0,0,0,0,0,2|1,0,0]=3 4915 B12R1.125 CC(=O)NNc1ccccc1Br 22a_100000241748_100000070787 [0,0,0,0,0,2|2,0,0]=4 4916 B12R1.125 CC(=O)NNc1ccccc1C 22a_100000184220_100000070787 [0,0,0,0,0,2|2,0,0]=4 4917 B12R1.125 CC(=O)NNc1ccccc1Cl 22a_100000683529_100000070787 [0,0,0,0,0,2|2,0,0]=4 4918 B12R1.125 CC(=O)NNc1ccccc1F 22a_100000239246_100000070787 [0,0,0,0,0,2|2,0,0]=4 4919 B12R1.125 CC(=O)NNc1ccccc1I 22a_100011218156_100000070787 [0,0,0,0,0,2|2,0,0]=4 4920 B12R1.125 CC(O)C=Cc1ccccc1O 271570a_200011019289_100000739446 [0,0,0,0,0,2|1,0,1]=4 4921 B12R1.125 CC(O)CNc1ccccc1O 34a_100000185747_100011218427 [0,0,0,0,0,2|1,0,1]=4 4922 B12R1.125 CC(O)CSc1ccccc1O 62a_100000739446_100011218427 [0,0,0,0,0,2|1,0,1]=4 4923 B12R1.125 CC(O)CSc1ccccc1O 62a_100011218427_100000739446 [0,0,0,0,0,2|1,0,1]=4 4924 B12R1.125 C[C@@H](O)CNc1ccccc1O 34a_100000185747_100009817552 [0,0,0,0,0,2|1,0,1]=4 4925 B12R1.125 C[C@@H](O)CSc1ccccc1O 62a_100000739446_100009817552 [0,0,0,0,0,2|1,0,1]=4 4926 B12R1.125 C[C@@H](O)CSc1ccccc1O 62a_100009817552_100000739446 [0,0,0,0,0,2|1,0,1]=4 4927 B12R1.125 Cc1ccccc1CCC(=O)[13CH3] 1458a_100000748742_200025704644 [0,0,0,0,0,2|2,0,0]=4 4928 B12R1.125 Cc1ccccc1NCC(=O)N 34a_100015192222_100000187820 [0,0,0,0,0,2|2,0,0]=4 4929 B12R1.125 Cc1ccccc1NCC(=O)[O-] 34a_100015192222_100020667443 [0,0,0,0,0,2|1,0,1]=4 4930 B12R1.125 Cc1ccccc1OCC(=O)N 34a_100000210338_100000187820 [0,0,0,0,0,2|2,0,0]=4 4931 B12R1.125 Cc1ccccc1OCC(=O)N 7a_100000210338_100000187820 [0,0,0,0,0,2|2,0,0]=4 4932 B12R1.125 Cc1ccccc1OCC(=O)[13CH3] 1458a_100000182418_200025704644 [0,0,0,0,0,2|2,0,0]=4 4933 B12R1.125 Cc1ccccc1OCC(=O)[O-] 34a_100000210338_100020667443 [0,0,0,0,0,2|1,0,1]=4 4934 B12R1.125 Cc1ccccc1SCC(=O)N 62a_100000210755_100000747473 [0,0,0,0,0,2|2,0,0]=4 4935 B12R1.125 Cc1ccccc1SCC(=O)N 62a_100000747473_100000210755 [0,0,0,0,0,2|2,0,0]=4 4936 B12R1.125 Cc1ccccc1SCC(=O)[13CH3] 1458a_100000183026_200025704644 [0,0,0,0,0,2|2,0,0]=4 4937 B12R1.125 Cc1ccccc1SCC(=O)[O-] 62a_100000210755_100020667443 [0,0,0,0,0,2|1,0,1]=4 4938 B12R1.125 Cc1ccccc1SCC(=O)[O-] 62a_100020667443_100000210755 [0,0,0,0,0,2|1,0,1]=4 4939 B12R1.125 NC(=O)CCc1ccccc1O 271570a_203496583355_100009814947 [0,0,0,0,0,2|1,0,0]=3 4940 B12R1.125 NC(=O)CNc1ccccc1Br 34a_100000210017_100000187820 [0,0,0,0,0,2|2,0,0]=4 4941 B12R1.125 NC(=O)CNc1ccccc1Cl 34a_100000185783_100000187820 [0,0,0,0,0,2|2,0,0]=4 4942 B12R1.125 NC(=O)CNc1ccccc1F 34a_100000210422_100000187820 [0,0,0,0,0,2|2,0,0]=4 4943 B12R1.125 NC(=O)CNc1ccccc1I 34a_100000210053_100000187820 [0,0,0,0,0,2|2,0,0]=4 4944 B12R1.125 NC(=O)CNc1ccccc1O 34a_100000185747_100000187820 [0,0,0,0,0,2|1,0,0]=3 4945 B12R1.125 NC(=O)COc1ccccc1Br 34a_100000181306_100000187820 [0,0,0,0,0,2|2,0,0]=4 4946 B12R1.125 NC(=O)COc1ccccc1Br 7a_100000181306_100000187820 [0,0,0,0,0,2|2,0,0]=4 4947 B12R1.125 NC(=O)COc1ccccc1Cl 34a_100000210172_100000187820 [0,0,0,0,0,2|2,0,0]=4 4948 B12R1.125 NC(=O)COc1ccccc1Cl 7a_100000210172_100000187820 [0,0,0,0,0,2|2,0,0]=4 4949 B12R1.125 NC(=O)COc1ccccc1F 34a_100000210171_100000187820 [0,0,0,0,0,2|2,0,0]=4 4950 B12R1.125 NC(=O)COc1ccccc1F 7a_100000210171_100000187820 [0,0,0,0,0,2|2,0,0]=4 4951 B12R1.125 NC(=O)COc1ccccc1I 34a_100000739446_100000187820 [0,0,0,0,0,2|2,0,0]=4 4952 B12R1.125 NC(=O)COc1ccccc1I 7a_100000739446_100000187820 [0,0,0,0,0,2|2,0,0]=4 4953 B12R1.125 NC(=O)COc1ccccc1N 34a_100000185747_100000187820 [0,0,0,0,0,2|2,0,0]=4 4954 B12R1.125 NC(=O)COc1ccccc1N 7a_100000185747_100000187820 [0,0,0,0,0,2|2,0,0]=4 4955 B12R1.125 NC(=O)COc1ccccc1O 271570a_203496583355_200000148491 [0,0,0,0,0,2|1,0,0]=3 4956 B12R1.125 NC(=O)CSc1ccccc1Br 62a_100000695589_100000747473 [0,0,0,0,0,2|2,0,0]=4 4957 B12R1.125 NC(=O)CSc1ccccc1Br 62a_100000747473_100000695589 [0,0,0,0,0,2|2,0,0]=4 4958 B12R1.125 NC(=O)CSc1ccccc1Cl 62a_100000747473_100000764095 [0,0,0,0,0,2|2,0,0]=4 4959 B12R1.125 NC(=O)CSc1ccccc1Cl 62a_100000764095_100000747473 [0,0,0,0,0,2|2,0,0]=4 4960 B12R1.125 NC(=O)CSc1ccccc1F 62a_100000747473_100011215700 [0,0,0,0,0,2|2,0,0]=4 4961 B12R1.125 NC(=O)CSc1ccccc1F 62a_100011215700_100000747473 [0,0,0,0,0,2|2,0,0]=4 4962 B12R1.125 NC(=O)CSc1ccccc1N 62a_100000210017_100000747473 [0,0,0,0,0,2|2,0,0]=4 4963 B12R1.125 NC(=O)CSc1ccccc1N 62a_100000747473_100000210017 [0,0,0,0,0,2|2,0,0]=4 4964 B12R1.125 NC(=O)CSc1ccccc1O 62a_100000739446_100000747473 [0,0,0,0,0,2|1,0,0]=3 4965 B12R1.125 NC(=O)CSc1ccccc1O 62a_100000747473_100000739446 [0,0,0,0,0,2|1,0,0]=3 4966 B12R1.125 NC(=O)CSc1cccnc1O 62a_100000747473_100000760158 [0,0,0,0,0,2|2,0,0]=4 4967 B12R1.125 NC(=O)CSc1cccnc1O 62a_100000760158_100000747473 [0,0,0,0,0,2|2,0,0]=4 4968 B12R1.125 NC(=O)CSc1ccncc1O 62a_100000747473_100009817591 [0,0,0,0,0,2|2,0,0]=4 4969 B12R1.125 NC(=O)CSc1ccncc1O 62a_100009817591_100000747473 [0,0,0,0,0,2|2,0,0]=4 4970 B12R1.125 NC(=O)CSc1ncccc1O 62a_100000034122_100000747473 [0,0,0,0,0,2|2,0,0]=4 4971 B12R1.125 NC(=O)CSc1ncccc1O 62a_100000747473_100000034122 [0,0,0,0,0,2|2,0,0]=4 4972 B12R1.125 Nc1ccccc1OCC(=O)[O-] 34a_100000185747_100020667443 [0,0,0,0,0,2|1,0,1]=4 4973 B12R1.125 Nc1ccccc1SCC(=O)[O-] 62a_100000210017_100020667443 [0,0,0,0,0,2|1,0,1]=4 4974 B12R1.125 Nc1ccccc1SCC(=O)[O-] 62a_100020667443_100000210017 [0,0,0,0,0,2|1,0,1]=4 4975 B12R1.125 O=C([O-])CNc1ccccc1Br 34a_100000210017_100020667443 [0,0,0,0,0,2|1,0,1]=4 4976 B12R1.125 O=C([O-])CNc1ccccc1Cl 34a_100000185783_100020667443 [0,0,0,0,0,2|1,0,1]=4 4977 B12R1.125 O=C([O-])CNc1ccccc1F 34a_100000210422_100020667443 [0,0,0,0,0,2|1,0,1]=4 4978 B12R1.125 O=C([O-])CNc1ccccc1I 34a_100000210053_100020667443 [0,0,0,0,0,2|1,0,1]=4 4979 B12R1.125 O=C([O-])CNc1ccccc1O 34a_100000185747_100020667443 [0,0,0,0,0,2|0,0,1]=3 4980 B12R1.125 O=C([O-])COc1ccccc1Br 34a_100000181306_100020667443 [0,0,0,0,0,2|1,0,1]=4 4981 B12R1.125 O=C([O-])COc1ccccc1Cl 34a_100000210172_100020667443 [0,0,0,0,0,2|1,0,1]=4 4982 B12R1.125 O=C([O-])COc1ccccc1F 34a_100000210171_100020667443 [0,0,0,0,0,2|1,0,1]=4 4983 B12R1.125 O=C([O-])COc1ccccc1I 34a_100000739446_100020667443 [0,0,0,0,0,2|1,0,1]=4 4984 B12R1.125 O=C([O-])CSc1ccccc1Br 62a_100000695589_100020667443 [0,0,0,0,0,2|1,0,1]=4 4985 B12R1.125 O=C([O-])CSc1ccccc1Br 62a_100020667443_100000695589 [0,0,0,0,0,2|1,0,1]=4 4986 B12R1.125 O=C([O-])CSc1ccccc1Cl 62a_100000764095_100020667443 [0,0,0,0,0,2|1,0,1]=4 4987 B12R1.125 O=C([O-])CSc1ccccc1Cl 62a_100020667443_100000764095 [0,0,0,0,0,2|1,0,1]=4 4988 B12R1.125 O=C([O-])CSc1ccccc1F 62a_100011215700_100020667443 [0,0,0,0,0,2|1,0,1]=4 4989 B12R1.125 O=C([O-])CSc1ccccc1F 62a_100020667443_100011215700 [0,0,0,0,0,2|1,0,1]=4 4990 B12R1.125 O=C([O-])CSc1ccccc1O 62a_100000739446_100020667443 [0,0,0,0,0,2|0,0,1]=3 4991 B12R1.125 O=C([O-])CSc1ccccc1O 62a_100020667443_100000739446 [0,0,0,0,0,2|0,0,1]=3 4992 B12R1.125 O=C([O-])CSc1cccnc1O 62a_100000760158_100020667443 [0,0,0,0,0,2|1,0,1]=4 4993 B12R1.125 O=C([O-])CSc1cccnc1O 62a_100020667443_100000760158 [0,0,0,0,0,2|1,0,1]=4 4994 B12R1.125 O=C([O-])CSc1ccncc1O 62a_100009817591_100020667443 [0,0,0,0,0,2|1,0,1]=4 4995 B12R1.125 O=C([O-])CSc1ccncc1O 62a_100020667443_100009817591 [0,0,0,0,0,2|1,0,1]=4 4996 B12R1.125 O=C([O-])CSc1ncccc1O 62a_100000034122_100020667443 [0,0,0,0,0,2|1,0,1]=4 4997 B12R1.125 O=C([O-])CSc1ncccc1O 62a_100020667443_100000034122 [0,0,0,0,0,2|1,0,1]=4 4998 B12R1.125 O=[N+]([O-])CNc1ccccc1O 34a_100000185747_100000761209 [0,0,0,0,0,2|1,0,1]=4 4999 B12R1.125 O=[N+]([O-])CSc1ccccc1O 62a_100000739446_100000761209 [0,0,0,0,0,2|1,0,1]=4 5000 B12R1.125 [13CH3]C(=O)C#Cc1ccccc1F 1458a_100011892747_200025704644 [0,0,0,0,0,2|2,0,0]=4 5001 B12R1.125 [13CH3]C(=O)C=Cc1ccccc1Br 1458a_100000719032_200025704644 [0,0,0,0,0,2|2,0,0]=4 5002 B12R1.125 [13CH3]C(=O)C=Cc1ccccc1Cl 1458a_100000720304_200025704644 [0,0,0,0,0,2|2,0,0]=4 5003 B12R1.125 [13CH3]C(=O)C=Cc1ccccc1F 1458a_100016256065_200025704644 [0,0,0,0,0,2|2,0,0]=4 5004 B12R1.125 [13CH3]C(=O)C=Cc1ccccc1O 1458a_100016263591_200025704644 [0,0,0,0,0,2|1,0,0]=3 5005 B12R1.125 [13CH3]C(=O)CCc1ccccc1Br 1458a_100000740810_200025704644 [0,0,0,0,0,2|2,0,0]=4 5006 B12R1.125 [13CH3]C(=O)CCc1ccccc1Cl 1458a_100000184300_200025704644 [0,0,0,0,0,2|2,0,0]=4 5007 B12R1.125 [13CH3]C(=O)CCc1ccccc1F 1458a_100000189703_200025704644 [0,0,0,0,0,2|2,0,0]=4 5008 B12R1.125 [13CH3]C(=O)CCc1ccccc1I 1458a_100000037306_200025704644 [0,0,0,0,0,2|2,0,0]=4 5009 B12R1.125 [13CH3]C(=O)CCc1ccccc1O 1458a_100000181328_200025704644 [0,0,0,0,0,2|1,0,0]=3 5010 B12R1.125 [13CH3]C(=O)COc1ccccc1Br 1458a_100000216496_200025704644 [0,0,0,0,0,2|2,0,0]=4 5011 B12R1.125 [13CH3]C(=O)COc1ccccc1Cl 1458a_100000185159_200025704644 [0,0,0,0,0,2|2,0,0]=4 5012 B12R1.125 [13CH3]C(=O)COc1ccccc1F 1458a_100000182486_200025704644 [0,0,0,0,0,2|2,0,0]=4 5013 B12R1.125 [13CH3]C(=O)COc1ccccc1O 1458a_100000183020_200025704644 [0,0,0,0,0,2|1,0,0]=3 5014 B12R1.125 [13CH3]C(=O)CSc1ccccc1F 1458a_100000179528_200025704644 [0,0,0,0,0,2|2,0,0]=4 5015 B12R1.125 [13CH3]C(=O)CSc1ccccc1O 1458a_100000695322_200025704644 [0,0,0,0,0,2|1,0,0]=3