0 B11R1.1 C#CCNc1ccc(cc1)Br 2230a_100000210018_100000038162 [0,0,0,0,0,0|2,1,1]=4 1 B11R1.1 C#CCNc1ccc(cc1)Br 34a_100000210018_100000184674 [0,0,0,0,0,0|2,1,1]=4 2 B11R1.1 C#CCNc1ccc(cc1)C 34a_100000124888_100000184674 [0,0,0,0,0,0|3,0,1]=4 3 B11R1.1 C#CCNc1ccc(cc1)Cl 2230a_100000210052_100000038162 [0,0,0,0,0,0|2,0,1]=3 4 B11R1.1 C#CCNc1ccc(cc1)Cl 34a_100000210052_100000184674 [0,0,0,0,0,0|2,0,1]=3 5 B11R1.1 C#CCNc1ccc(cc1)F 34a_100000185862_100000184674 [0,0,0,0,0,0|2,1,1]=4 6 B11R1.1 C#CCNc1ccc(cc1)I 34a_100000185761_100000184674 [0,0,0,0,0,0|2,1,1]=4 7 B11R1.1 C#CCNc1ccc(cc1)O 34a_100000185829_100000184674 [0,0,0,0,0,0|3,0,1]=4 8 B11R1.1 C#CCOc1ccc(=O)[nH]c1 34a_100000075641_100000184674 [0,0,0,0,0,0|3,0,1]=4 9 B11R1.1 C#CCOc1ccc(cc1)Br 34a_100000185759_100000184674 [0,0,0,0,0,0|1,1,1]=3 10 B11R1.1 C#CCOc1ccc(cc1)Br 7a_100000185759_100000038162 [0,0,0,0,0,0|1,1,1]=3 11 B11R1.1 C#CCOc1ccc(cc1)C 34a_100000210336_100000184674 [0,0,0,0,0,0|2,0,1]=3 12 B11R1.1 C#CCOc1ccc(cc1)C 7a_100000210336_100000038162 [0,0,0,0,0,0|2,0,1]=3 13 B11R1.1 C#CCOc1ccc(cc1)Cl 34a_100000210216_100000184674 [0,0,0,0,0,0|1,0,1]=2 14 B11R1.1 C#CCOc1ccc(cc1)Cl 7a_100000210216_100000038162 [0,0,0,0,0,0|1,0,1]=2 15 B11R1.1 C#CCOc1ccc(cc1)F 34a_100000210339_100000184674 [0,0,0,0,0,0|1,1,1]=3 16 B11R1.1 C#CCOc1ccc(cc1)I 34a_100000212066_100000184674 [0,0,0,0,0,0|1,1,1]=3 17 B11R1.1 C#CCOc1ccc(cc1)I 7a_100000212066_100000038162 [0,0,0,0,0,0|1,1,1]=3 18 B11R1.1 C#CCOc1ccc(cc1)N 34a_100000185829_100000184674 [0,0,0,0,0,0|2,0,1]=3 19 B11R1.1 C#CCOc1ccc(cn1)C 34a_100000759353_100000184674 [0,0,0,0,0,0|3,0,1]=4 20 B11R1.1 C#CCOc1ccc(cn1)Cl 34a_100011215309_100000184674 [0,0,0,0,0,0|2,0,1]=3 21 B11R1.1 C#CCOc1ccc(cn1)F 34a_100000742473_100000184674 [0,0,0,0,0,0|2,1,1]=4 22 B11R1.1 C#CCOc1ccc(cn1)N 34a_100000729260_100000184674 [0,0,0,0,0,0|3,0,1]=4 23 B11R1.1 C#CCOc1ccc(nc1)Br 34a_100000685995_100000184674 [0,0,0,0,0,0|2,1,1]=4 24 B11R1.1 C#CCOc1ccc(nc1)Br 7a_100000685995_100000038162 [0,0,0,0,0,0|2,1,1]=4 25 B11R1.1 C#CCOc1ccc(nc1)C 34a_100000745506_100000184674 [0,0,0,0,0,0|3,0,1]=4 26 B11R1.1 C#CCOc1ccc(nc1)C 7a_100000745506_100000038162 [0,0,0,0,0,0|3,0,1]=4 27 B11R1.1 C#CCOc1ccc(nc1)Cl 34a_100000744096_100000184674 [0,0,0,0,0,0|2,0,1]=3 28 B11R1.1 C#CCOc1ccc(nc1)Cl 7a_100000744096_100000038162 [0,0,0,0,0,0|2,0,1]=3 29 B11R1.1 C#CCOc1ccc(nc1)F 34a_100000688820_100000184674 [0,0,0,0,0,0|2,1,1]=4 30 B11R1.1 C#CCOc1ccc(nc1)F 7a_100000688820_100000038162 [0,0,0,0,0,0|2,1,1]=4 31 B11R1.1 C#CCOc1ccc(nc1)I 34a_100000687607_100000184674 [0,0,0,0,0,0|2,1,1]=4 32 B11R1.1 C#CCOc1ccc(nc1)I 7a_100000687607_100000038162 [0,0,0,0,0,0|2,1,1]=4 33 B11R1.1 C#CCOc1ccc(nc1)N 34a_100015188713_100000184674 [0,0,0,0,0,0|3,0,1]=4 34 B11R1.1 C#CCOc1ccc(nc1)N 7a_100015188713_100000038162 [0,0,0,0,0,0|3,0,1]=4 35 B11R1.1 C#CCOc1cnc(cn1)Cl 34a_100015839800_100000184674 [0,0,0,0,0,0|3,0,1]=4 36 B11R1.1 C#CCOc1cnc(nc1)Cl 34a_100000092845_100000184674 [0,0,0,0,0,0|3,0,1]=4 37 B11R1.1 C#CCOc1cnc(nc1)Cl 7a_100000092845_100000038162 [0,0,0,0,0,0|3,0,1]=4 38 B11R1.1 C#CCSc1ccc(cc1)Br 62a_100000038162_100000752885 [0,0,0,0,0,0|1,2,1]=4 39 B11R1.1 C#CCSc1ccc(cc1)C 62a_100000038162_100000186775 [0,0,0,0,0,0|2,1,1]=4 40 B11R1.1 C#CCSc1ccc(cc1)Cl 62a_100000038162_100000755918 [0,0,0,0,0,0|1,1,1]=3 41 B11R1.1 C#CCSc1ccc(cc1)F 62a_100000038162_100000211213 [0,0,0,0,0,0|1,2,1]=4 42 B11R1.1 C#CCSc1ccc(cc1)N 62a_100000038162_100000185761 [0,0,0,0,0,0|2,1,1]=4 43 B11R1.1 C#CCSc1ccc(cc1)O 62a_100000038162_100000185759 [0,0,0,0,0,0|2,1,1]=4 44 B11R1.1 C#CCSc1ccc(cn1)Cl 62a_100000038162_100011356976 [0,0,0,0,0,0|2,1,1]=4 45 B11R1.1 C#CCSc1ccc(nc1)Cl 62a_100000038162_100000034144 [0,0,0,0,0,0|2,1,1]=4 46 B11R1.1 C=CCNc1ccc(cc1)Br 2230a_100000210018_100000210623 [0,0,0,0,0,0|2,1,1]=4 47 B11R1.1 C=CCNc1ccc(cc1)Br 34a_100000210018_100015514636 [0,0,0,0,0,0|2,1,1]=4 48 B11R1.1 C=CCNc1ccc(cc1)C 34a_100000124888_100015514636 [0,0,0,0,0,0|3,0,1]=4 49 B11R1.1 C=CCNc1ccc(cc1)Cl 2230a_100000210052_100000210623 [0,0,0,0,0,0|2,0,1]=3 50 B11R1.1 C=CCNc1ccc(cc1)Cl 34a_100000210052_100015514636 [0,0,0,0,0,0|2,0,1]=3 51 B11R1.1 C=CCNc1ccc(cc1)F 34a_100000185862_100015514636 [0,0,0,0,0,0|2,1,1]=4 52 B11R1.1 C=CCNc1ccc(cc1)I 34a_100000185761_100015514636 [0,0,0,0,0,0|2,1,1]=4 53 B11R1.1 C=CCNc1ccc(cc1)O 34a_100000185829_100015514636 [0,0,0,0,0,0|3,0,1]=4 54 B11R1.1 C=CCOc1ccc(=O)[nH]c1 34a_100000075641_100015514636 [0,0,0,0,0,0|3,0,1]=4 55 B11R1.1 C=CCOc1ccc(cc1)Br 34a_100000185759_100015514636 [0,0,0,0,0,0|1,1,1]=3 56 B11R1.1 C=CCOc1ccc(cc1)Br 7a_100000185759_100015514636 [0,0,0,0,0,0|1,1,1]=3 57 B11R1.1 C=CCOc1ccc(cc1)C 34a_100000210336_100015514636 [0,0,0,0,0,0|2,0,1]=3 58 B11R1.1 C=CCOc1ccc(cc1)C 7a_100000210336_100015514636 [0,0,0,0,0,0|2,0,1]=3 59 B11R1.1 C=CCOc1ccc(cc1)Cl 34a_100000210216_100015514636 [0,0,0,0,0,0|1,0,1]=2 60 B11R1.1 C=CCOc1ccc(cc1)Cl 7a_100000210216_100015514636 [0,0,0,0,0,0|1,0,1]=2 61 B11R1.1 C=CCOc1ccc(cc1)F 34a_100000210339_100015514636 [0,0,0,0,0,0|1,1,1]=3 62 B11R1.1 C=CCOc1ccc(cc1)I 34a_100000212066_100015514636 [0,0,0,0,0,0|1,1,1]=3 63 B11R1.1 C=CCOc1ccc(cc1)I 7a_100000212066_100015514636 [0,0,0,0,0,0|1,1,1]=3 64 B11R1.1 C=CCOc1ccc(cc1)N 34a_100000185829_100015514636 [0,0,0,0,0,0|2,0,1]=3 65 B11R1.1 C=CCOc1ccc(cc1)O 271570a_203496583355_100000172055 [0,0,0,0,0,0|2,0,1]=3 66 B11R1.1 C=CCOc1ccc(cn1)C 34a_100000759353_100015514636 [0,0,0,0,0,0|3,0,1]=4 67 B11R1.1 C=CCOc1ccc(cn1)Cl 34a_100011215309_100015514636 [0,0,0,0,0,0|2,0,1]=3 68 B11R1.1 C=CCOc1ccc(cn1)F 34a_100000742473_100015514636 [0,0,0,0,0,0|2,1,1]=4 69 B11R1.1 C=CCOc1ccc(cn1)N 34a_100000729260_100015514636 [0,0,0,0,0,0|3,0,1]=4 70 B11R1.1 C=CCOc1ccc(nc1)Br 34a_100000685995_100015514636 [0,0,0,0,0,0|2,1,1]=4 71 B11R1.1 C=CCOc1ccc(nc1)Br 7a_100000685995_100015514636 [0,0,0,0,0,0|2,1,1]=4 72 B11R1.1 C=CCOc1ccc(nc1)C 34a_100000745506_100015514636 [0,0,0,0,0,0|3,0,1]=4 73 B11R1.1 C=CCOc1ccc(nc1)C 7a_100000745506_100015514636 [0,0,0,0,0,0|3,0,1]=4 74 B11R1.1 C=CCOc1ccc(nc1)Cl 34a_100000744096_100015514636 [0,0,0,0,0,0|2,0,1]=3 75 B11R1.1 C=CCOc1ccc(nc1)Cl 7a_100000744096_100015514636 [0,0,0,0,0,0|2,0,1]=3 76 B11R1.1 C=CCOc1ccc(nc1)F 34a_100000688820_100015514636 [0,0,0,0,0,0|2,1,1]=4 77 B11R1.1 C=CCOc1ccc(nc1)F 7a_100000688820_100015514636 [0,0,0,0,0,0|2,1,1]=4 78 B11R1.1 C=CCOc1ccc(nc1)I 34a_100000687607_100015514636 [0,0,0,0,0,0|2,1,1]=4 79 B11R1.1 C=CCOc1ccc(nc1)I 7a_100000687607_100015514636 [0,0,0,0,0,0|2,1,1]=4 80 B11R1.1 C=CCOc1ccc(nc1)N 34a_100015188713_100015514636 [0,0,0,0,0,0|3,0,1]=4 81 B11R1.1 C=CCOc1ccc(nc1)N 7a_100015188713_100015514636 [0,0,0,0,0,0|3,0,1]=4 82 B11R1.1 C=CCOc1cnc(cn1)Cl 34a_100015839800_100015514636 [0,0,0,0,0,0|3,0,1]=4 83 B11R1.1 C=CCOc1cnc(nc1)Cl 34a_100000092845_100015514636 [0,0,0,0,0,0|3,0,1]=4 84 B11R1.1 C=CCOc1cnc(nc1)Cl 7a_100000092845_100015514636 [0,0,0,0,0,0|3,0,1]=4 85 B11R1.1 C=CCSc1ccc(cc1)Br 62a_100000210623_100000752885 [0,0,0,0,0,0|1,2,1]=4 86 B11R1.1 C=CCSc1ccc(cc1)Br 62a_100000752885_100000210623 [0,0,0,0,0,0|1,2,1]=4 87 B11R1.1 C=CCSc1ccc(cc1)C 62a_100000186775_100000210623 [0,0,0,0,0,0|2,1,1]=4 88 B11R1.1 C=CCSc1ccc(cc1)C 62a_100000210623_100000186775 [0,0,0,0,0,0|2,1,1]=4 89 B11R1.1 C=CCSc1ccc(cc1)Cl 62a_100000210623_100000755918 [0,0,0,0,0,0|1,1,1]=3 90 B11R1.1 C=CCSc1ccc(cc1)Cl 62a_100000755918_100000210623 [0,0,0,0,0,0|1,1,1]=3 91 B11R1.1 C=CCSc1ccc(cc1)F 62a_100000210623_100000211213 [0,0,0,0,0,0|1,2,1]=4 92 B11R1.1 C=CCSc1ccc(cc1)F 62a_100000211213_100000210623 [0,0,0,0,0,0|1,2,1]=4 93 B11R1.1 C=CCSc1ccc(cc1)N 62a_100000185761_100000210623 [0,0,0,0,0,0|2,1,1]=4 94 B11R1.1 C=CCSc1ccc(cc1)N 62a_100000210623_100000185761 [0,0,0,0,0,0|2,1,1]=4 95 B11R1.1 C=CCSc1ccc(cc1)O 62a_100000210623_100000185759 [0,0,0,0,0,0|2,1,1]=4 96 B11R1.1 C=CCSc1ccc(cn1)Cl 62a_100000210623_100011356976 [0,0,0,0,0,0|2,1,1]=4 97 B11R1.1 C=CCSc1ccc(cn1)Cl 62a_100011356976_100000210623 [0,0,0,0,0,0|2,1,1]=4 98 B11R1.1 C=CCSc1ccc(nc1)Cl 62a_100000034144_100000210623 [0,0,0,0,0,0|2,1,1]=4 99 B11R1.1 C=CCSc1ccc(nc1)Cl 62a_100000210623_100000034144 [0,0,0,0,0,0|2,1,1]=4 100 B11R1.1 CC=NNc1ccc(cc1)Cl 4a_100000683521_200000210099 [0,0,0,0,0,0|3,0,1]=4 101 B11R1.1 CCCCc1cc[n+](cc1)[O-] 271570a_100020621405_100000039755 [0,0,0,0,0,0|4,0,0]=4 102 B11R1.1 CCCCc1ccc(=O)[nH]c1 271570a_100020621405_100000212171 [0,0,0,0,0,0|4,0,0]=4 103 B11R1.1 CCCCc1ccc(cc1)Br 271570a_100020621405_100000752885 [0,0,0,0,0,0|2,1,0]=3 104 B11R1.1 CCCCc1ccc(cc1)C 271570a_100020621405_100000186775 [0,0,0,0,0,0|3,0,0]=3 105 B11R1.1 CCCCc1ccc(cc1)Cl 271570a_100020621405_100000755918 [0,0,0,0,0,0|2,0,0]=2 106 B11R1.1 CCCCc1ccc(cc1)F 271570a_100020621405_100000211213 [0,0,0,0,0,0|2,1,0]=3 107 B11R1.1 CCCCc1ccc(cc1)N 271570a_100020621405_100000185761 [0,0,0,0,0,0|3,0,0]=3 108 B11R1.1 CCCCc1ccc(cc1)O 271570a_100020621405_100000185759 [0,0,0,0,0,0|3,0,0]=3 109 B11R1.1 CCCCc1ccc(cc1)O 271570a_203496583355_100011215597 [0,0,0,0,0,0|3,0,0]=3 110 B11R1.1 CCCCc1ccc(cn1)Br 271570a_100020621405_100000686858 [0,0,0,0,0,0|3,1,0]=4 111 B11R1.1 CCCCc1ccc(cn1)C 271570a_100020621405_100000754016 [0,0,0,0,0,0|4,0,0]=4 112 B11R1.1 CCCCc1ccc(cn1)Cl 271570a_100020621405_100011356976 [0,0,0,0,0,0|3,0,0]=3 113 B11R1.1 CCCCc1ccc(cn1)F 271570a_100020621405_100000744514 [0,0,0,0,0,0|3,1,0]=4 114 B11R1.1 CCCCc1ccc(cn1)N 271570a_100020621405_100000744251 [0,0,0,0,0,0|4,0,0]=4 115 B11R1.1 CCCCc1ccc(cn1)O 271570a_100020621405_100000685995 [0,0,0,0,0,0|4,0,0]=4 116 B11R1.1 CCCCc1ccc(nc1)Br 271570a_100020621405_100009814638 [0,0,0,0,0,0|3,1,0]=4 117 B11R1.1 CCCCc1ccc(nc1)C 271570a_100020621405_100000751577 [0,0,0,0,0,0|4,0,0]=4 118 B11R1.1 CCCCc1ccc(nc1)Cl 271570a_100020621405_100000034144 [0,0,0,0,0,0|3,0,0]=3 119 B11R1.1 CCCCc1ccc(nc1)F 271570a_100020621405_100000748661 [0,0,0,0,0,0|3,1,0]=4 120 B11R1.1 CCCCc1ccc(nc1)N 271570a_100020621405_100000187370 [0,0,0,0,0,0|4,0,0]=4 121 B11R1.1 CCCCc1ncc(cn1)Cl 271570a_100020621405_100011356929 [0,0,0,0,0,0|4,0,0]=4 122 B11R1.1 CCCNc1ccc(cc1)Br 2230a_100000210018_100000210303 [0,0,0,0,0,0|2,1,0]=3 123 B11R1.1 CCCNc1ccc(cc1)Br 34a_100000210018_100000210303 [0,0,0,0,0,0|2,1,0]=3 124 B11R1.1 CCCNc1ccc(cc1)C 34a_100000124888_100000210303 [0,0,0,0,0,0|3,0,0]=3 125 B11R1.1 CCCNc1ccc(cc1)Cl 2230a_100000210052_100000210303 [0,0,0,0,0,0|2,0,0]=2 126 B11R1.1 CCCNc1ccc(cc1)Cl 34a_100000210052_100000210303 [0,0,0,0,0,0|2,0,0]=2 127 B11R1.1 CCCNc1ccc(cc1)F 34a_100000185862_100000210303 [0,0,0,0,0,0|2,1,0]=3 128 B11R1.1 CCCNc1ccc(cc1)I 34a_100000185761_100000210303 [0,0,0,0,0,0|2,1,0]=3 129 B11R1.1 CCCNc1ccc(cc1)O 34a_100000185829_100000210303 [0,0,0,0,0,0|3,0,0]=3 130 B11R1.1 CCCOc1ccc(=O)[nH]c1 34a_100000075641_100000210303 [0,0,0,0,0,0|3,0,0]=3 131 B11R1.1 CCCOc1ccc(cc1)Br 34a_100000185759_100000210303 [0,0,0,0,0,0|1,1,0]=2 132 B11R1.1 CCCOc1ccc(cc1)Br 7a_100000185759_100000210303 [0,0,0,0,0,0|1,1,0]=2 133 B11R1.1 CCCOc1ccc(cc1)C 34a_100000210336_100000210303 [0,0,0,0,0,0|2,0,0]=2 134 B11R1.1 CCCOc1ccc(cc1)C 7a_100000210336_100000210303 [0,0,0,0,0,0|2,0,0]=2 135 B11R1.1 CCCOc1ccc(cc1)Cl 34a_100000210216_100000210303 [0,0,0,0,0,0|1,0,0]=1 136 B11R1.1 CCCOc1ccc(cc1)Cl 7a_100000210216_100000210303 [0,0,0,0,0,0|1,0,0]=1 137 B11R1.1 CCCOc1ccc(cc1)F 34a_100000210339_100000210303 [0,0,0,0,0,0|1,1,0]=2 138 B11R1.1 CCCOc1ccc(cc1)I 34a_100000212066_100000210303 [0,0,0,0,0,0|1,1,0]=2 139 B11R1.1 CCCOc1ccc(cc1)I 7a_100000212066_100000210303 [0,0,0,0,0,0|1,1,0]=2 140 B11R1.1 CCCOc1ccc(cc1)N 34a_100000185829_100000210303 [0,0,0,0,0,0|2,0,0]=2 141 B11R1.1 CCCOc1ccc(cc1)O 271570a_203496583355_100000169948 [0,0,0,0,0,0|2,0,0]=2 142 B11R1.1 CCCOc1ccc(cn1)C 34a_100000759353_100000210303 [0,0,0,0,0,0|3,0,0]=3 143 B11R1.1 CCCOc1ccc(cn1)Cl 34a_100011215309_100000210303 [0,0,0,0,0,0|2,0,0]=2 144 B11R1.1 CCCOc1ccc(cn1)F 34a_100000742473_100000210303 [0,0,0,0,0,0|2,1,0]=3 145 B11R1.1 CCCOc1ccc(cn1)N 34a_100000729260_100000210303 [0,0,0,0,0,0|3,0,0]=3 146 B11R1.1 CCCOc1ccc(cn1)O 271570a_203496583355_100011465619 [0,0,0,0,0,0|3,0,0]=3 147 B11R1.1 CCCOc1ccc(nc1)Br 34a_100000685995_100000210303 [0,0,0,0,0,0|2,1,0]=3 148 B11R1.1 CCCOc1ccc(nc1)Br 7a_100000685995_100000210303 [0,0,0,0,0,0|2,1,0]=3 149 B11R1.1 CCCOc1ccc(nc1)C 34a_100000745506_100000210303 [0,0,0,0,0,0|3,0,0]=3 150 B11R1.1 CCCOc1ccc(nc1)C 7a_100000745506_100000210303 [0,0,0,0,0,0|3,0,0]=3 151 B11R1.1 CCCOc1ccc(nc1)Cl 34a_100000744096_100000210303 [0,0,0,0,0,0|2,0,0]=2 152 B11R1.1 CCCOc1ccc(nc1)Cl 7a_100000744096_100000210303 [0,0,0,0,0,0|2,0,0]=2 153 B11R1.1 CCCOc1ccc(nc1)F 34a_100000688820_100000210303 [0,0,0,0,0,0|2,1,0]=3 154 B11R1.1 CCCOc1ccc(nc1)F 7a_100000688820_100000210303 [0,0,0,0,0,0|2,1,0]=3 155 B11R1.1 CCCOc1ccc(nc1)I 34a_100000687607_100000210303 [0,0,0,0,0,0|2,1,0]=3 156 B11R1.1 CCCOc1ccc(nc1)I 7a_100000687607_100000210303 [0,0,0,0,0,0|2,1,0]=3 157 B11R1.1 CCCOc1ccc(nc1)N 34a_100015188713_100000210303 [0,0,0,0,0,0|3,0,0]=3 158 B11R1.1 CCCOc1ccc(nc1)N 7a_100015188713_100000210303 [0,0,0,0,0,0|3,0,0]=3 159 B11R1.1 CCCOc1ccc(nc1)O 271570a_203496583355_100000719977 [0,0,0,0,0,0|3,0,0]=3 160 B11R1.1 CCCOc1ccc(nn1)O 271570a_203496583355_200011279913 [0,0,0,0,0,0|4,0,0]=4 161 B11R1.1 CCCOc1cnc(cn1)Br 34a_100011934580_100000210303 [0,0,0,0,0,0|3,1,0]=4 162 B11R1.1 CCCOc1cnc(cn1)Cl 34a_100015839800_100000210303 [0,0,0,0,0,0|3,0,0]=3 163 B11R1.1 CCCOc1cnc(nc1)Br 34a_100000730009_100000210303 [0,0,0,0,0,0|3,1,0]=4 164 B11R1.1 CCCOc1cnc(nc1)Br 7a_100000730009_100000210303 [0,0,0,0,0,0|3,1,0]=4 165 B11R1.1 CCCOc1cnc(nc1)C 34a_100000062939_100000210303 [0,0,0,0,0,0|4,0,0]=4 166 B11R1.1 CCCOc1cnc(nc1)C 7a_100000062939_100000210303 [0,0,0,0,0,0|4,0,0]=4 167 B11R1.1 CCCOc1cnc(nc1)Cl 34a_100000092845_100000210303 [0,0,0,0,0,0|3,0,0]=3 168 B11R1.1 CCCOc1cnc(nc1)Cl 7a_100000092845_100000210303 [0,0,0,0,0,0|3,0,0]=3 169 B11R1.1 CCCOc1cnc(nc1)F 34a_200009874573_100000210303 [0,0,0,0,0,0|3,1,0]=4 170 B11R1.1 CCCOc1cnc(nc1)F 7a_200009874573_100000210303 [0,0,0,0,0,0|3,1,0]=4 171 B11R1.1 CCCOc1cnc(nc1)N 34a_100000087137_100000210303 [0,0,0,0,0,0|4,0,0]=4 172 B11R1.1 CCCOc1cnc(nc1)N 7a_100000087137_100000210303 [0,0,0,0,0,0|4,0,0]=4 173 B11R1.1 CCCOc1ncc(cn1)F 34a_100011934040_100000210303 [0,0,0,0,0,0|3,1,0]=4 174 B11R1.1 CCCSc1cc[n+](cc1)[O-] 62a_100000210303_100000039755 [0,0,0,0,0,0|3,1,0]=4 175 B11R1.1 CCCSc1ccc(=O)[nH]c1 62a_100000210303_100000212171 [0,0,0,0,0,0|3,1,0]=4 176 B11R1.1 CCCSc1ccc(=O)[nH]c1 62a_100000212171_100000210303 [0,0,0,0,0,0|3,1,0]=4 177 B11R1.1 CCCSc1ccc(cc1)Br 62a_100000210303_100000752885 [0,0,0,0,0,0|1,2,0]=3 178 B11R1.1 CCCSc1ccc(cc1)Br 62a_100000752885_100000210303 [0,0,0,0,0,0|1,2,0]=3 179 B11R1.1 CCCSc1ccc(cc1)C 62a_100000186775_100000210303 [0,0,0,0,0,0|2,1,0]=3 180 B11R1.1 CCCSc1ccc(cc1)C 62a_100000210303_100000186775 [0,0,0,0,0,0|2,1,0]=3 181 B11R1.1 CCCSc1ccc(cc1)Cl 62a_100000210303_100000755918 [0,0,0,0,0,0|1,1,0]=2 182 B11R1.1 CCCSc1ccc(cc1)Cl 62a_100000755918_100000210303 [0,0,0,0,0,0|1,1,0]=2 183 B11R1.1 CCCSc1ccc(cc1)F 62a_100000210303_100000211213 [0,0,0,0,0,0|1,2,0]=3 184 B11R1.1 CCCSc1ccc(cc1)F 62a_100000211213_100000210303 [0,0,0,0,0,0|1,2,0]=3 185 B11R1.1 CCCSc1ccc(cc1)N 62a_100000185761_100000210303 [0,0,0,0,0,0|2,1,0]=3 186 B11R1.1 CCCSc1ccc(cc1)N 62a_100000210303_100000185761 [0,0,0,0,0,0|2,1,0]=3 187 B11R1.1 CCCSc1ccc(cc1)O 271570a_203496583355_200009811899 [0,0,0,0,0,0|2,1,0]=3 188 B11R1.1 CCCSc1ccc(cc1)O 62a_100000210303_100000185759 [0,0,0,0,0,0|2,1,0]=3 189 B11R1.1 CCCSc1ccc(cn1)Br 62a_100000210303_100000686858 [0,0,0,0,0,0|2,2,0]=4 190 B11R1.1 CCCSc1ccc(cn1)Br 62a_100000686858_100000210303 [0,0,0,0,0,0|2,2,0]=4 191 B11R1.1 CCCSc1ccc(cn1)C 62a_100000210303_100000754016 [0,0,0,0,0,0|3,1,0]=4 192 B11R1.1 CCCSc1ccc(cn1)C 62a_100011192072_100000210303 [0,0,0,0,0,0|3,1,0]=4 193 B11R1.1 CCCSc1ccc(cn1)Cl 62a_100000210303_100011356976 [0,0,0,0,0,0|2,1,0]=3 194 B11R1.1 CCCSc1ccc(cn1)Cl 62a_100011356976_100000210303 [0,0,0,0,0,0|2,1,0]=3 195 B11R1.1 CCCSc1ccc(cn1)F 62a_100000210303_100000744514 [0,0,0,0,0,0|2,2,0]=4 196 B11R1.1 CCCSc1ccc(cn1)F 62a_100000744514_100000210303 [0,0,0,0,0,0|2,2,0]=4 197 B11R1.1 CCCSc1ccc(cn1)N 62a_100000210303_100000737798 [0,0,0,0,0,0|3,1,0]=4 198 B11R1.1 CCCSc1ccc(cn1)N 62a_100000737798_100000210303 [0,0,0,0,0,0|3,1,0]=4 199 B11R1.1 CCCSc1ccc(cn1)O 62a_100000210303_100000744096 [0,0,0,0,0,0|3,1,0]=4 200 B11R1.1 CCCSc1ccc(cn1)O 62a_100000685995_100000210303 [0,0,0,0,0,0|3,1,0]=4 201 B11R1.1 CCCSc1ccc(nc1)Br 62a_100000210303_100009814638 [0,0,0,0,0,0|2,2,0]=4 202 B11R1.1 CCCSc1ccc(nc1)Br 62a_100009814638_100000210303 [0,0,0,0,0,0|2,2,0]=4 203 B11R1.1 CCCSc1ccc(nc1)C 62a_100000210303_100000751577 [0,0,0,0,0,0|3,1,0]=4 204 B11R1.1 CCCSc1ccc(nc1)C 62a_100000751577_100000210303 [0,0,0,0,0,0|3,1,0]=4 205 B11R1.1 CCCSc1ccc(nc1)Cl 62a_100000034144_100000210303 [0,0,0,0,0,0|2,1,0]=3 206 B11R1.1 CCCSc1ccc(nc1)Cl 62a_100000210303_100000034144 [0,0,0,0,0,0|2,1,0]=3 207 B11R1.1 CCCSc1ccc(nc1)F 62a_100000042367_100000210303 [0,0,0,0,0,0|2,2,0]=4 208 B11R1.1 CCCSc1ccc(nc1)F 62a_100000210303_100000042367 [0,0,0,0,0,0|2,2,0]=4 209 B11R1.1 CCCSc1ccc(nc1)N 62a_100000187370_100000210303 [0,0,0,0,0,0|3,1,0]=4 210 B11R1.1 CCCSc1ccc(nc1)N 62a_100000210303_100000187370 [0,0,0,0,0,0|3,1,0]=4 211 B11R1.1 CCCSc1ccc(nn1)Cl 62a_100000068654_100000210303 [0,0,0,0,0,0|3,1,0]=4 212 B11R1.1 CCCSc1ccc(nn1)Cl 62a_100000210303_100000068654 [0,0,0,0,0,0|3,1,0]=4 213 B11R1.1 CCCSc1cnc(cn1)Cl 62a_100000210303_100010214907 [0,0,0,0,0,0|3,1,0]=4 214 B11R1.1 CCCSc1cnc(cn1)Cl 62a_100010214907_100000210303 [0,0,0,0,0,0|3,1,0]=4 215 B11R1.1 CCCSc1cnc(nc1)Cl 62a_100000059775_100000210303 [0,0,0,0,0,0|3,1,0]=4 216 B11R1.1 CCCSc1cnc(nc1)Cl 62a_100000210303_100000059775 [0,0,0,0,0,0|3,1,0]=4 217 B11R1.1 CCCSc1ncc(cn1)Cl 62a_100000210303_100011356929 [0,0,0,0,0,0|3,1,0]=4 218 B11R1.1 CCCSc1ncc(cn1)Cl 62a_100011356929_100000210303 [0,0,0,0,0,0|3,1,0]=4 219 B11R1.1 CCNCc1ccc(cc1)Br 207a_100015525214_100000186029 [0,0,0,0,0,0|3,1,0]=4 220 B11R1.1 CCNCc1ccc(cc1)Br 2230a_100000174875_100000210202 [0,0,0,0,0,0|3,1,0]=4 221 B11R1.1 CCNCc1ccc(cc1)Br 2230a_100015525214_100011217064 [0,0,0,0,0,0|3,1,0]=4 222 B11R1.1 CCNCc1ccc(cc1)Br 270004a_100015525214_100000186029 [0,0,0,0,0,0|3,1,0]=4 223 B11R1.1 CCNCc1ccc(cc1)Br 34a_100000174875_100000210202 [0,0,0,0,0,0|3,1,0]=4 224 B11R1.1 CCNCc1ccc(cc1)C 207a_100015525214_100000211033 [0,0,0,0,0,0|4,0,0]=4 225 B11R1.1 CCNCc1ccc(cc1)C 2230a_100000174908_100000210202 [0,0,0,0,0,0|4,0,0]=4 226 B11R1.1 CCNCc1ccc(cc1)C 2230a_100015525214_100000210814 [0,0,0,0,0,0|4,0,0]=4 227 B11R1.1 CCNCc1ccc(cc1)C 270004a_100015525214_100000211033 [0,0,0,0,0,0|4,0,0]=4 228 B11R1.1 CCNCc1ccc(cc1)C 34a_100000174908_100000210202 [0,0,0,0,0,0|4,0,0]=4 229 B11R1.1 CCNCc1ccc(cc1)Cl 207a_100015525214_100000189385 [0,0,0,0,0,0|3,0,0]=3 230 B11R1.1 CCNCc1ccc(cc1)Cl 2230a_100000174871_100000210202 [0,0,0,0,0,0|3,0,0]=3 231 B11R1.1 CCNCc1ccc(cc1)Cl 2230a_100015525214_100000694040 [0,0,0,0,0,0|3,0,0]=3 232 B11R1.1 CCNCc1ccc(cc1)Cl 270004a_100015525214_100000189385 [0,0,0,0,0,0|3,0,0]=3 233 B11R1.1 CCNCc1ccc(cc1)Cl 34a_100000174871_100000210202 [0,0,0,0,0,0|3,0,0]=3 234 B11R1.1 CCNCc1ccc(cc1)F 207a_100015525214_100000210084 [0,0,0,0,0,0|3,1,0]=4 235 B11R1.1 CCNCc1ccc(cc1)F 2230a_100000174882_100000210202 [0,0,0,0,0,0|3,1,0]=4 236 B11R1.1 CCNCc1ccc(cc1)F 2230a_100015525214_100000198546 [0,0,0,0,0,0|3,1,0]=4 237 B11R1.1 CCNCc1ccc(cc1)F 270004a_100015525214_100000210084 [0,0,0,0,0,0|3,1,0]=4 238 B11R1.1 CCNCc1ccc(cc1)F 34a_100000174882_100000210202 [0,0,0,0,0,0|3,1,0]=4 239 B11R1.1 CCNCc1ccc(cc1)I 207a_100015525214_100000188517 [0,0,0,0,0,0|3,1,0]=4 240 B11R1.1 CCNCc1ccc(cc1)I 2230a_100015525214_100000189116 [0,0,0,0,0,0|3,1,0]=4 241 B11R1.1 CCNCc1ccc(cc1)I 2230a_100016989417_100000210202 [0,0,0,0,0,0|3,1,0]=4 242 B11R1.1 CCNCc1ccc(cc1)I 34a_100016989417_100000210202 [0,0,0,0,0,0|3,1,0]=4 243 B11R1.1 CCNCc1ccc(cc1)O 271570a_203496583355_100000187385 [0,0,0,0,0,0|4,0,0]=4 244 B11R1.1 CCNCc1ccc(cc1)O 34a_100000185549_100000210202 [0,0,0,0,0,0|4,0,0]=4 245 B11R1.1 CCNCc1ccc(cn1)Cl 207a_100015525214_100011361569 [0,0,0,0,0,0|4,0,0]=4 246 B11R1.1 CCNCc1ccc(cn1)Cl 2230a_100015525214_100012066911 [0,0,0,0,0,0|4,0,0]=4 247 B11R1.1 CCNCc1ccc(cn1)Cl 270004a_100015525214_100011361569 [0,0,0,0,0,0|4,0,0]=4 248 B11R1.1 CCNCc1ccc(cn1)Cl 34a_100000697193_100000210202 [0,0,0,0,0,0|4,0,0]=4 249 B11R1.1 CCNCc1ccc(nc1)Cl 2230a_100000735879_100000210202 [0,0,0,0,0,0|4,0,0]=4 250 B11R1.1 CCNCc1ccc(nc1)Cl 2230a_100015525214_100000735431 [0,0,0,0,0,0|4,0,0]=4 251 B11R1.1 CCNCc1ccc(nc1)Cl 34a_100000735879_100000210202 [0,0,0,0,0,0|4,0,0]=4 252 B11R1.1 CCOCc1ccc(cc1)Br 34a_100000695286_100000210202 [0,0,0,0,0,0|3,1,0]=4 253 B11R1.1 CCOCc1ccc(cc1)Br 34a_100121572206_100000189115 [0,0,0,0,0,0|3,1,0]=4 254 B11R1.1 CCOCc1ccc(cc1)C 34a_100011215236_100000210202 [0,0,0,0,0,0|4,0,0]=4 255 B11R1.1 CCOCc1ccc(cc1)C 34a_100121572206_100000210814 [0,0,0,0,0,0|4,0,0]=4 256 B11R1.1 CCOCc1ccc(cc1)C 7a_100011215236_100000210202 [0,0,0,0,0,0|4,0,0]=4 257 B11R1.1 CCOCc1ccc(cc1)Cl 34a_100000211118_100000210202 [0,0,0,0,0,0|3,0,0]=3 258 B11R1.1 CCOCc1ccc(cc1)Cl 34a_100121572206_100000694040 [0,0,0,0,0,0|3,0,0]=3 259 B11R1.1 CCOCc1ccc(cc1)Cl 7a_100000211118_100000210202 [0,0,0,0,0,0|3,0,0]=3 260 B11R1.1 CCOCc1ccc(cc1)F 34a_100000210977_100000210202 [0,0,0,0,0,0|3,1,0]=4 261 B11R1.1 CCOCc1ccc(cc1)F 34a_100121572206_100000198546 [0,0,0,0,0,0|3,1,0]=4 262 B11R1.1 CCOCc1ccc(cc1)F 7a_100000210977_100000210202 [0,0,0,0,0,0|3,1,0]=4 263 B11R1.1 CCOCc1ccc(cc1)I 34a_100000690907_100000210202 [0,0,0,0,0,0|3,1,0]=4 264 B11R1.1 CCOCc1ccc(cc1)I 34a_100121572206_100000189116 [0,0,0,0,0,0|3,1,0]=4 265 B11R1.1 CCOCc1ccc(cc1)I 7a_100000690907_100000210202 [0,0,0,0,0,0|3,1,0]=4 266 B11R1.1 CCOCc1ccc(cc1)N 34a_100011215238_100000210202 [0,0,0,0,0,0|4,0,0]=4 267 B11R1.1 CCOCc1ccc(cc1)O 271570a_203496583355_100000758564 [0,0,0,0,0,0|4,0,0]=4 268 B11R1.1 CCOCc1ccc(cn1)Cl 34a_100000703999_100000210202 [0,0,0,0,0,0|4,0,0]=4 269 B11R1.1 CCOCc1ccc(cn1)Cl 34a_100121572206_100012066911 [0,0,0,0,0,0|4,0,0]=4 270 B11R1.1 CCOCc1ccc(nc1)Cl 34a_100000755211_100000210202 [0,0,0,0,0,0|4,0,0]=4 271 B11R1.1 CCOCc1ccc(nc1)Cl 34a_100121572206_100000735431 [0,0,0,0,0,0|4,0,0]=4 272 B11R1.1 CCOCc1ccc(nc1)Cl 7a_100000755211_100000210202 [0,0,0,0,0,0|4,0,0]=4 273 B11R1.1 CCSCc1ccc(cc1)Br 62a_100000189115_100000210202 [0,0,0,0,0,0|3,1,0]=4 274 B11R1.1 CCSCc1ccc(cc1)Br 62a_100000210202_100000189115 [0,0,0,0,0,0|3,1,0]=4 275 B11R1.1 CCSCc1ccc(cc1)C 62a_100000210202_100000210814 [0,0,0,0,0,0|4,0,0]=4 276 B11R1.1 CCSCc1ccc(cc1)C 62a_100000210814_100000210202 [0,0,0,0,0,0|4,0,0]=4 277 B11R1.1 CCSCc1ccc(cc1)Cl 62a_100000187161_100000210202 [0,0,0,0,0,0|3,0,0]=3 278 B11R1.1 CCSCc1ccc(cc1)Cl 62a_100000210202_100000187161 [0,0,0,0,0,0|3,0,0]=3 279 B11R1.1 CCSCc1ccc(cc1)F 62a_100000198546_100000210202 [0,0,0,0,0,0|3,1,0]=4 280 B11R1.1 CCSCc1ccc(cc1)F 62a_100000210202_100000187164 [0,0,0,0,0,0|3,1,0]=4 281 B11R1.1 CCSCc1ccc(cc1)I 62a_100000189116_100000210202 [0,0,0,0,0,0|3,1,0]=4 282 B11R1.1 CCSCc1ccc(cc1)I 62a_100000210202_100000189116 [0,0,0,0,0,0|3,1,0]=4 283 B11R1.1 CCSCc1ccc(cn1)Cl 62a_100000210202_100000697101 [0,0,0,0,0,0|4,0,0]=4 284 B11R1.1 CCSCc1ccc(cn1)Cl 62a_100012066911_100000210202 [0,0,0,0,0,0|4,0,0]=4 285 B11R1.1 CCSCc1ccc(nc1)Cl 62a_100000210202_100000735431 [0,0,0,0,0,0|4,0,0]=4 286 B11R1.1 CCSCc1ccc(nc1)Cl 62a_100000735431_100000210202 [0,0,0,0,0,0|4,0,0]=4 287 B11R1.1 CNCCc1ccc(cc1)Br 2230a_100000755846_200000210301 [0,0,0,0,0,0|3,1,0]=4 288 B11R1.1 CNCCc1ccc(cc1)Br 2230a_106832991635_100011740612 [0,0,0,0,0,0|3,1,0]=4 289 B11R1.1 CNCCc1ccc(cc1)Br 34a_100000755846_200000210301 [0,0,0,0,0,0|3,1,0]=4 290 B11R1.1 CNCCc1ccc(cc1)Br 34a_100102657272_100011740612 [0,0,0,0,0,0|3,1,0]=4 291 B11R1.1 CNCCc1ccc(cc1)Br 7a_106832991635_100011740612 [0,0,0,0,0,0|3,1,0]=4 292 B11R1.1 CNCCc1ccc(cc1)C 2230a_100000705350_200000210301 [0,0,0,0,0,0|4,0,0]=4 293 B11R1.1 CNCCc1ccc(cc1)C 2230a_106832991635_100011713686 [0,0,0,0,0,0|4,0,0]=4 294 B11R1.1 CNCCc1ccc(cc1)C 34a_100000705350_200000210301 [0,0,0,0,0,0|4,0,0]=4 295 B11R1.1 CNCCc1ccc(cc1)C 34a_100102657272_100011713686 [0,0,0,0,0,0|4,0,0]=4 296 B11R1.1 CNCCc1ccc(cc1)C 7a_106832991635_100011713686 [0,0,0,0,0,0|4,0,0]=4 297 B11R1.1 CNCCc1ccc(cc1)Cl 2230a_100000185265_200000210301 [0,0,0,0,0,0|3,0,0]=3 298 B11R1.1 CNCCc1ccc(cc1)Cl 2230a_106832991635_100011713675 [0,0,0,0,0,0|3,0,0]=3 299 B11R1.1 CNCCc1ccc(cc1)Cl 34a_100000185265_200000210301 [0,0,0,0,0,0|3,0,0]=3 300 B11R1.1 CNCCc1ccc(cc1)Cl 34a_100102657272_100011713675 [0,0,0,0,0,0|3,0,0]=3 301 B11R1.1 CNCCc1ccc(cc1)Cl 7a_106832991635_100011713675 [0,0,0,0,0,0|3,0,0]=3 302 B11R1.1 CNCCc1ccc(cc1)F 2230a_100000199005_200000210301 [0,0,0,0,0,0|3,1,0]=4 303 B11R1.1 CNCCc1ccc(cc1)F 2230a_106832991635_100011217392 [0,0,0,0,0,0|3,1,0]=4 304 B11R1.1 CNCCc1ccc(cc1)F 34a_100000199005_200000210301 [0,0,0,0,0,0|3,1,0]=4 305 B11R1.1 CNCCc1ccc(cc1)F 34a_100102657272_100011217392 [0,0,0,0,0,0|3,1,0]=4 306 B11R1.1 CNCCc1ccc(cc1)F 7a_106832991635_100011217392 [0,0,0,0,0,0|3,1,0]=4 307 B11R1.1 CNCCc1ccc(cc1)O 2230a_106832991635_100009816426 [0,0,0,0,0,0|4,0,0]=4 308 B11R1.1 CNCCc1ccc(cc1)O 271570a_203496583355_100000752880 [0,0,0,0,0,0|4,0,0]=4 309 B11R1.1 CNCCc1ccc(cc1)O 34a_100000743037_200000210301 [0,0,0,0,0,0|4,0,0]=4 310 B11R1.1 CNCCc1ccc(cc1)O 7a_106832991635_100009816426 [0,0,0,0,0,0|4,0,0]=4 311 B11R1.1 COCCc1ccc(cc1)Br 34a_100000766406_200000210301 [0,0,0,0,0,0|3,1,0]=4 312 B11R1.1 COCCc1ccc(cc1)Br 34a_100138415774_100011740612 [0,0,0,0,0,0|3,1,0]=4 313 B11R1.1 COCCc1ccc(cc1)Br 7a_100000766406_200000210301 [0,0,0,0,0,0|3,1,0]=4 314 B11R1.1 COCCc1ccc(cc1)C 34a_100000756670_200000210301 [0,0,0,0,0,0|4,0,0]=4 315 B11R1.1 COCCc1ccc(cc1)C 34a_100138415774_100011713686 [0,0,0,0,0,0|4,0,0]=4 316 B11R1.1 COCCc1ccc(cc1)C 7a_100000756670_200000210301 [0,0,0,0,0,0|4,0,0]=4 317 B11R1.1 COCCc1ccc(cc1)Cl 34a_100011219627_200000210301 [0,0,0,0,0,0|3,0,0]=3 318 B11R1.1 COCCc1ccc(cc1)Cl 34a_100138415774_100011713675 [0,0,0,0,0,0|3,0,0]=3 319 B11R1.1 COCCc1ccc(cc1)Cl 7a_100011219627_200000210301 [0,0,0,0,0,0|3,0,0]=3 320 B11R1.1 COCCc1ccc(cc1)F 34a_100000754732_200000210301 [0,0,0,0,0,0|3,1,0]=4 321 B11R1.1 COCCc1ccc(cc1)F 34a_100138415774_100011217392 [0,0,0,0,0,0|3,1,0]=4 322 B11R1.1 COCCc1ccc(cc1)F 7a_100000754732_200000210301 [0,0,0,0,0,0|3,1,0]=4 323 B11R1.1 COCCc1ccc(cc1)I 34a_100012291149_200000210301 [0,0,0,0,0,0|3,1,0]=4 324 B11R1.1 COCCc1ccc(cc1)I 7a_100012291149_200000210301 [0,0,0,0,0,0|3,1,0]=4 325 B11R1.1 COCCc1ccc(cc1)N 34a_100011204434_200000210301 [0,0,0,0,0,0|4,0,0]=4 326 B11R1.1 COCCc1ccc(cc1)O 271570a_203496583355_100000739703 [0,0,0,0,0,0|4,0,0]=4 327 B11R1.1 COCCc1ccc(nc1)Cl 34a_100009880866_200000210301 [0,0,0,0,0,0|4,0,0]=4 328 B11R1.1 COCCc1ccc(nc1)Cl 7a_100009880866_200000210301 [0,0,0,0,0,0|4,0,0]=4 329 B11R1.1 COCNc1ccc(cc1)Br 2230a_100000210018_100000766300 [0,0,0,0,0,0|3,1,0]=4 330 B11R1.1 COCNc1ccc(cc1)Cl 2230a_100000210052_100000766300 [0,0,0,0,0,0|3,0,0]=3 331 B11R1.1 COCOc1ccc(cc1)O 271570a_203496583355_100012265687 [0,0,0,0,0,0|3,0,0]=3 332 B11R1.1 COCOc1ccc(nc1)O 271570a_203496583355_100012568617 [0,0,0,0,0,0|4,0,0]=4 333 B11R1.1 COCSc1ccc(cc1)Br 62a_100000752885_100000766300 [0,0,0,0,0,0|2,2,0]=4 334 B11R1.1 COCSc1ccc(cc1)Br 62a_100000766300_100000752885 [0,0,0,0,0,0|2,2,0]=4 335 B11R1.1 COCSc1ccc(cc1)C 62a_100000186775_100000766300 [0,0,0,0,0,0|3,1,0]=4 336 B11R1.1 COCSc1ccc(cc1)C 62a_100000766300_100000186775 [0,0,0,0,0,0|3,1,0]=4 337 B11R1.1 COCSc1ccc(cc1)Cl 62a_100000755918_100000766300 [0,0,0,0,0,0|2,1,0]=3 338 B11R1.1 COCSc1ccc(cc1)Cl 62a_100000766300_100000755918 [0,0,0,0,0,0|2,1,0]=3 339 B11R1.1 COCSc1ccc(cc1)F 62a_100000211213_100000766300 [0,0,0,0,0,0|2,2,0]=4 340 B11R1.1 COCSc1ccc(cc1)F 62a_100000766300_100000211213 [0,0,0,0,0,0|2,2,0]=4 341 B11R1.1 COCSc1ccc(cc1)N 62a_100000185761_100000766300 [0,0,0,0,0,0|3,1,0]=4 342 B11R1.1 COCSc1ccc(cc1)N 62a_100000766300_100000185761 [0,0,0,0,0,0|3,1,0]=4 343 B11R1.1 COCSc1ccc(cc1)O 62a_100000766300_100000185759 [0,0,0,0,0,0|3,1,0]=4 344 B11R1.1 COCSc1ccc(cn1)Cl 62a_100000766300_100011356976 [0,0,0,0,0,0|3,1,0]=4 345 B11R1.1 COCSc1ccc(cn1)Cl 62a_100011356976_100000766300 [0,0,0,0,0,0|3,1,0]=4 346 B11R1.1 COCSc1ccc(nc1)Cl 62a_100000034144_100000766300 [0,0,0,0,0,0|3,1,0]=4 347 B11R1.1 COCSc1ccc(nc1)Cl 62a_100000766300_100000034144 [0,0,0,0,0,0|3,1,0]=4 348 B11R1.1 CSCCc1ccc(cc1)Br 62a_100011740612_200000210301 [0,0,0,0,0,0|3,1,0]=4 349 B11R1.1 CSCCc1ccc(cc1)Br 62a_200000210301_100011740612 [0,0,0,0,0,0|3,1,0]=4 350 B11R1.1 CSCCc1ccc(cc1)C 62a_100011713686_200000210301 [0,0,0,0,0,0|4,0,0]=4 351 B11R1.1 CSCCc1ccc(cc1)C 62a_200000210301_100011713686 [0,0,0,0,0,0|4,0,0]=4 352 B11R1.1 CSCCc1ccc(cc1)Cl 62a_100011713675_200000210301 [0,0,0,0,0,0|3,0,0]=3 353 B11R1.1 CSCCc1ccc(cc1)Cl 62a_200000210301_100011713675 [0,0,0,0,0,0|3,0,0]=3 354 B11R1.1 CSCCc1ccc(cc1)F 62a_100011217392_200000210301 [0,0,0,0,0,0|3,1,0]=4 355 B11R1.1 CSCCc1ccc(cc1)F 62a_200000210301_100011217392 [0,0,0,0,0,0|3,1,0]=4 356 B11R1.1 CSCCc1ccc(cc1)O 62a_100009816426_200000210301 [0,0,0,0,0,0|4,0,0]=4 357 B11R1.1 CSCCc1ccc(cc1)O 62a_200000210301_100009816426 [0,0,0,0,0,0|4,0,0]=4 358 B11R1.1 CSCNc1ccc(cc1)Br 2230a_100000210018_100011218213 [0,0,0,0,0,0|3,1,0]=4 359 B11R1.1 CSCNc1ccc(cc1)Br 34a_100000210018_100011218213 [0,0,0,0,0,0|3,1,0]=4 360 B11R1.1 CSCNc1ccc(cc1)C 34a_100000124888_100011218213 [0,0,0,0,0,0|4,0,0]=4 361 B11R1.1 CSCNc1ccc(cc1)Cl 2230a_100000210052_100011218213 [0,0,0,0,0,0|3,0,0]=3 362 B11R1.1 CSCNc1ccc(cc1)Cl 34a_100000210052_100011218213 [0,0,0,0,0,0|3,0,0]=3 363 B11R1.1 CSCNc1ccc(cc1)F 34a_100000185862_100011218213 [0,0,0,0,0,0|3,1,0]=4 364 B11R1.1 CSCNc1ccc(cc1)I 34a_100000185761_100011218213 [0,0,0,0,0,0|3,1,0]=4 365 B11R1.1 CSCNc1ccc(cc1)O 34a_100000185829_100011218213 [0,0,0,0,0,0|4,0,0]=4 366 B11R1.1 CSCOc1ccc(=O)[nH]c1 34a_100000075641_100011218213 [0,0,0,0,0,0|4,0,0]=4 367 B11R1.1 CSCOc1ccc(cc1)Br 34a_100000185759_100011218213 [0,0,0,0,0,0|2,1,0]=3 368 B11R1.1 CSCOc1ccc(cc1)C 34a_100000210336_100011218213 [0,0,0,0,0,0|3,0,0]=3 369 B11R1.1 CSCOc1ccc(cc1)Cl 34a_100000210216_100011218213 [0,0,0,0,0,0|2,0,0]=2 370 B11R1.1 CSCOc1ccc(cc1)F 34a_100000210339_100011218213 [0,0,0,0,0,0|2,1,0]=3 371 B11R1.1 CSCOc1ccc(cc1)I 34a_100000212066_100011218213 [0,0,0,0,0,0|2,1,0]=3 372 B11R1.1 CSCOc1ccc(cc1)N 34a_100000185829_100011218213 [0,0,0,0,0,0|3,0,0]=3 373 B11R1.1 CSCOc1ccc(cn1)C 34a_100000759353_100011218213 [0,0,0,0,0,0|4,0,0]=4 374 B11R1.1 CSCOc1ccc(cn1)Cl 34a_100011215309_100011218213 [0,0,0,0,0,0|3,0,0]=3 375 B11R1.1 CSCOc1ccc(cn1)F 34a_100000742473_100011218213 [0,0,0,0,0,0|3,1,0]=4 376 B11R1.1 CSCOc1ccc(cn1)N 34a_100000729260_100011218213 [0,0,0,0,0,0|4,0,0]=4 377 B11R1.1 CSCOc1ccc(nc1)Br 34a_100000685995_100011218213 [0,0,0,0,0,0|3,1,0]=4 378 B11R1.1 CSCOc1ccc(nc1)C 34a_100000745506_100011218213 [0,0,0,0,0,0|4,0,0]=4 379 B11R1.1 CSCOc1ccc(nc1)Cl 34a_100000744096_100011218213 [0,0,0,0,0,0|3,0,0]=3 380 B11R1.1 CSCOc1ccc(nc1)F 34a_100000688820_100011218213 [0,0,0,0,0,0|3,1,0]=4 381 B11R1.1 CSCOc1ccc(nc1)I 34a_100000687607_100011218213 [0,0,0,0,0,0|3,1,0]=4 382 B11R1.1 CSCOc1ccc(nc1)N 34a_100015188713_100011218213 [0,0,0,0,0,0|4,0,0]=4 383 B11R1.1 CSCOc1cnc(cn1)Cl 34a_100015839800_100011218213 [0,0,0,0,0,0|4,0,0]=4 384 B11R1.1 CSCOc1cnc(nc1)Cl 34a_100000092845_100011218213 [0,0,0,0,0,0|4,0,0]=4 385 B11R1.1 CSCSc1ccc(cc1)Br 62a_100000752885_100011218213 [0,0,0,0,0,0|2,2,0]=4 386 B11R1.1 CSCSc1ccc(cc1)Br 62a_100011218213_100000752885 [0,0,0,0,0,0|2,2,0]=4 387 B11R1.1 CSCSc1ccc(cc1)C 62a_100000186775_100011218213 [0,0,0,0,0,0|3,1,0]=4 388 B11R1.1 CSCSc1ccc(cc1)C 62a_100011218213_100000186775 [0,0,0,0,0,0|3,1,0]=4 389 B11R1.1 CSCSc1ccc(cc1)Cl 62a_100000755918_100011218213 [0,0,0,0,0,0|2,1,0]=3 390 B11R1.1 CSCSc1ccc(cc1)Cl 62a_100011218213_100000755918 [0,0,0,0,0,0|2,1,0]=3 391 B11R1.1 CSCSc1ccc(cc1)F 62a_100000211213_100011218213 [0,0,0,0,0,0|2,2,0]=4 392 B11R1.1 CSCSc1ccc(cc1)F 62a_100011218213_100000211213 [0,0,0,0,0,0|2,2,0]=4 393 B11R1.1 CSCSc1ccc(cc1)N 62a_100000185761_100011218213 [0,0,0,0,0,0|3,1,0]=4 394 B11R1.1 CSCSc1ccc(cc1)N 62a_100011218213_100000185761 [0,0,0,0,0,0|3,1,0]=4 395 B11R1.1 CSCSc1ccc(cc1)O 62a_100011218213_100000185759 [0,0,0,0,0,0|3,1,0]=4 396 B11R1.1 CSCSc1ccc(cn1)Cl 62a_100011218213_100011356976 [0,0,0,0,0,0|3,1,0]=4 397 B11R1.1 CSCSc1ccc(cn1)Cl 62a_100011356976_100011218213 [0,0,0,0,0,0|3,1,0]=4 398 B11R1.1 CSCSc1ccc(nc1)Cl 62a_100000034144_100011218213 [0,0,0,0,0,0|3,1,0]=4 399 B11R1.1 CSCSc1ccc(nc1)Cl 62a_100011218213_100000034144 [0,0,0,0,0,0|3,1,0]=4 400 B11R1.1 Cc1ccc(cc1)CCN[13CH3] 2230a_100000705350_200025704644 [0,0,0,0,0,0|4,0,0]=4 401 B11R1.1 Cc1ccc(cc1)CCN[13CH3] 34a_100000705350_200025704644 [0,0,0,0,0,0|4,0,0]=4 402 B11R1.1 Cc1ccc(cc1)CCO[13CH3] 34a_100000756670_200025704644 [0,0,0,0,0,0|4,0,0]=4 403 B11R1.1 Cc1ccc(cc1)CCO[13CH3] 7a_100000756670_200025704644 [0,0,0,0,0,0|4,0,0]=4 404 B11R1.1 Cc1ccc(cc1)CCS[13CH3] 62a_100011713686_200025704644 [0,0,0,0,0,0|4,0,0]=4 405 B11R1.1 Cc1ccc(cc1)CCS[13CH3] 62a_200025704644_100011713686 [0,0,0,0,0,0|4,0,0]=4 406 B11R1.1 Cc1ccc(cc1)CNCF 34a_100000174908_100015361967 [0,0,0,0,0,0|4,0,0]=4 407 B11R1.1 Cc1ccc(cc1)COCF 34a_100011215236_100015361967 [0,0,0,0,0,0|4,0,0]=4 408 B11R1.1 Cc1ccc(cc1)COCF 7a_100011215236_100015361967 [0,0,0,0,0,0|4,0,0]=4 409 B11R1.1 Cc1ccc(cc1)CSCF 62a_100000210814_100015361967 [0,0,0,0,0,0|4,0,0]=4 410 B11R1.1 Cc1ccc(cc1)CSCF 62a_100015361967_100000210814 [0,0,0,0,0,0|4,0,0]=4 411 B11R1.1 Cc1ccc(cc1)NCC=O 34a_100000124888_200009817547 [0,0,0,0,0,0|2,0,2]=4 412 B11R1.1 Cc1ccc(cc1)NCCF 34a_100000124888_100011217306 [0,0,0,0,0,0|3,0,0]=3 413 B11R1.1 Cc1ccc(cc1)NCCO 34a_100000124888_100000211926 [0,0,0,0,0,0|2,0,0]=2 414 B11R1.1 Cc1ccc(cc1)OCC#N 7a_100000210336_100011215382 [0,0,0,0,0,0|2,0,1]=3 415 B11R1.1 Cc1ccc(cc1)OCC=O 34a_100000210336_200009817547 [0,0,0,0,0,0|1,0,2]=3 416 B11R1.1 Cc1ccc(cc1)OCC=O 7a_100000210336_200015260668 [0,0,0,0,0,0|1,0,2]=3 417 B11R1.1 Cc1ccc(cc1)OCCF 34a_100000210336_100011217306 [0,0,0,0,0,0|2,0,0]=2 418 B11R1.1 Cc1ccc(cc1)OCCF 7a_100000210336_100011217306 [0,0,0,0,0,0|2,0,0]=2 419 B11R1.1 Cc1ccc(cc1)OCCO 34a_100000210336_100000211926 [0,0,0,0,0,0|1,0,0]=1 420 B11R1.1 Cc1ccc(cc1)OCCO 7a_100000210336_100000211926 [0,0,0,0,0,0|1,0,0]=1 421 B11R1.1 Cc1ccc(cc1)SCC#N 62a_100000186775_100011215382 [0,0,0,0,0,0|2,1,1]=4 422 B11R1.1 Cc1ccc(cc1)SCC#N 62a_100011215382_100000186775 [0,0,0,0,0,0|2,1,1]=4 423 B11R1.1 Cc1ccc(cc1)SCC=O 62a_100000186775_200015260668 [0,0,0,0,0,0|1,1,2]=4 424 B11R1.1 Cc1ccc(cc1)SCC=O 62a_200015260668_100000186775 [0,0,0,0,0,0|1,1,2]=4 425 B11R1.1 Cc1ccc(cc1)SCCF 62a_100000186775_100011217306 [0,0,0,0,0,0|2,1,0]=3 426 B11R1.1 Cc1ccc(cc1)SCCF 62a_100011217306_100000186775 [0,0,0,0,0,0|2,1,0]=3 427 B11R1.1 Cc1ccc(cc1)SCCO 62a_100000186775_100000211926 [0,0,0,0,0,0|1,1,0]=2 428 B11R1.1 Cc1ccc(cc1)SCCO 62a_100000211926_100000186775 [0,0,0,0,0,0|1,1,0]=2 429 B11R1.1 Cc1ccc(cn1)OCC#N 7a_100000745506_100011215382 [0,0,0,0,0,0|3,0,1]=4 430 B11R1.1 Cc1ccc(cn1)OCC=O 34a_100000745506_200009817547 [0,0,0,0,0,0|2,0,2]=4 431 B11R1.1 Cc1ccc(cn1)OCC=O 7a_100000745506_200015260668 [0,0,0,0,0,0|2,0,2]=4 432 B11R1.1 Cc1ccc(cn1)OCCF 34a_100000745506_100011217306 [0,0,0,0,0,0|3,0,0]=3 433 B11R1.1 Cc1ccc(cn1)OCCF 7a_100000745506_100011217306 [0,0,0,0,0,0|3,0,0]=3 434 B11R1.1 Cc1ccc(cn1)OCCO 34a_100000745506_100000211926 [0,0,0,0,0,0|2,0,0]=2 435 B11R1.1 Cc1ccc(cn1)OCCO 7a_100000745506_100000211926 [0,0,0,0,0,0|2,0,0]=2 436 B11R1.1 Cc1ccc(cn1)SCCF 62a_100000751577_100011217306 [0,0,0,0,0,0|3,1,0]=4 437 B11R1.1 Cc1ccc(cn1)SCCF 62a_100011217306_100000751577 [0,0,0,0,0,0|3,1,0]=4 438 B11R1.1 Cc1ccc(cn1)SCCO 62a_100000211926_100000751577 [0,0,0,0,0,0|2,1,0]=3 439 B11R1.1 Cc1ccc(cn1)SCCO 62a_100000751577_100000211926 [0,0,0,0,0,0|2,1,0]=3 440 B11R1.1 Cc1ccc(nc1)OCC=O 34a_100000759353_200009817547 [0,0,0,0,0,0|2,0,2]=4 441 B11R1.1 Cc1ccc(nc1)OCCF 34a_100000759353_100011217306 [0,0,0,0,0,0|3,0,0]=3 442 B11R1.1 Cc1ccc(nc1)OCCO 34a_100000759353_100000211926 [0,0,0,0,0,0|2,0,0]=2 443 B11R1.1 Cc1ccc(nc1)SCCF 62a_100011192072_100011217306 [0,0,0,0,0,0|3,1,0]=4 444 B11R1.1 Cc1ccc(nc1)SCCF 62a_100011217306_100000754016 [0,0,0,0,0,0|3,1,0]=4 445 B11R1.1 Cc1ccc(nc1)SCCO 62a_100000211926_100000754016 [0,0,0,0,0,0|2,1,0]=3 446 B11R1.1 Cc1ccc(nc1)SCCO 62a_100011192072_100000211926 [0,0,0,0,0,0|2,1,0]=3 447 B11R1.1 Cc1ccc(nn1)NCCO 27a_100000210304_100000744512 [0,0,0,0,0,0|4,0,0]=4 448 B11R1.1 Cc1ccc(nn1)SCCO 62a_100000211926_100000744512 [0,0,0,0,0,0|3,1,0]=4 449 B11R1.1 Cc1ccc(nn1)SCCO 62a_100000744512_100000211926 [0,0,0,0,0,0|3,1,0]=4 450 B11R1.1 Cc1cnc(cn1)NCCO 27a_100000210304_100000074397 [0,0,0,0,0,0|4,0,0]=4 451 B11R1.1 Cc1cnc(cn1)SCCO 62a_100000211926_100011999403 [0,0,0,0,0,0|3,1,0]=4 452 B11R1.1 Cc1cnc(cn1)SCCO 62a_100011999403_100000211926 [0,0,0,0,0,0|3,1,0]=4 453 B11R1.1 Cc1cnc(nc1)NCCO 27a_100000210304_100000061069 [0,0,0,0,0,0|4,0,0]=4 454 B11R1.1 Cc1cnc(nc1)SCCO 62a_100000061069_100000211926 [0,0,0,0,0,0|3,1,0]=4 455 B11R1.1 Cc1cnc(nc1)SCCO 62a_100000211926_100000061069 [0,0,0,0,0,0|3,1,0]=4 456 B11R1.1 Cc1ncc(cn1)OCCF 34a_100000062939_100011217306 [0,0,0,0,0,0|4,0,0]=4 457 B11R1.1 Cc1ncc(cn1)OCCF 7a_100000062939_100011217306 [0,0,0,0,0,0|4,0,0]=4 458 B11R1.1 Cc1ncc(cn1)OCCO 34a_100000062939_100000211926 [0,0,0,0,0,0|3,0,0]=3 459 B11R1.1 Cc1ncc(cn1)OCCO 7a_100000062939_100000211926 [0,0,0,0,0,0|3,0,0]=3 460 B11R1.1 Cc1ncc(cn1)SCCO 62a_100000211926_100000686985 [0,0,0,0,0,0|3,1,0]=4 461 B11R1.1 Cc1ncc(cn1)SCCO 62a_100000686985_100000211926 [0,0,0,0,0,0|3,1,0]=4 462 B11R1.1 FCCNc1ccc(cc1)Br 2230a_100000210018_100011217306 [0,0,0,0,0,0|2,1,0]=3 463 B11R1.1 FCCNc1ccc(cc1)Br 34a_100000210018_100011217306 [0,0,0,0,0,0|2,1,0]=3 464 B11R1.1 FCCNc1ccc(cc1)Cl 2230a_100000210052_100011217306 [0,0,0,0,0,0|2,0,0]=2 465 B11R1.1 FCCNc1ccc(cc1)Cl 34a_100000210052_100011217306 [0,0,0,0,0,0|2,0,0]=2 466 B11R1.1 FCCNc1ccc(cc1)F 34a_100000185862_100011217306 [0,0,0,0,0,0|2,1,0]=3 467 B11R1.1 FCCNc1ccc(cc1)I 34a_100000185761_100011217306 [0,0,0,0,0,0|2,1,0]=3 468 B11R1.1 FCCOc1ccc(cc1)Br 34a_100000185759_100011217306 [0,0,0,0,0,0|1,1,0]=2 469 B11R1.1 FCCOc1ccc(cc1)Br 7a_100000185759_100011217306 [0,0,0,0,0,0|1,1,0]=2 470 B11R1.1 FCCOc1ccc(cc1)Cl 34a_100000210216_100011217306 [0,0,0,0,0,0|1,0,0]=1 471 B11R1.1 FCCOc1ccc(cc1)Cl 7a_100000210216_100011217306 [0,0,0,0,0,0|1,0,0]=1 472 B11R1.1 FCCOc1ccc(cc1)F 34a_100000210339_100011217306 [0,0,0,0,0,0|1,1,0]=2 473 B11R1.1 FCCOc1ccc(cc1)I 34a_100000212066_100011217306 [0,0,0,0,0,0|1,1,0]=2 474 B11R1.1 FCCOc1ccc(cc1)I 7a_100000212066_100011217306 [0,0,0,0,0,0|1,1,0]=2 475 B11R1.1 FCCOc1ccc(cn1)Cl 34a_100011215309_100011217306 [0,0,0,0,0,0|2,0,0]=2 476 B11R1.1 FCCOc1ccc(cn1)F 34a_100000742473_100011217306 [0,0,0,0,0,0|2,1,0]=3 477 B11R1.1 FCCOc1ccc(nc1)Br 34a_100000685995_100011217306 [0,0,0,0,0,0|2,1,0]=3 478 B11R1.1 FCCOc1ccc(nc1)Br 7a_100000685995_100011217306 [0,0,0,0,0,0|2,1,0]=3 479 B11R1.1 FCCOc1ccc(nc1)Cl 34a_100000744096_100011217306 [0,0,0,0,0,0|2,0,0]=2 480 B11R1.1 FCCOc1ccc(nc1)Cl 7a_100000744096_100011217306 [0,0,0,0,0,0|2,0,0]=2 481 B11R1.1 FCCOc1ccc(nc1)F 34a_100000688820_100011217306 [0,0,0,0,0,0|2,1,0]=3 482 B11R1.1 FCCOc1ccc(nc1)F 7a_100000688820_100011217306 [0,0,0,0,0,0|2,1,0]=3 483 B11R1.1 FCCOc1ccc(nc1)I 34a_100000687607_100011217306 [0,0,0,0,0,0|2,1,0]=3 484 B11R1.1 FCCOc1ccc(nc1)I 7a_100000687607_100011217306 [0,0,0,0,0,0|2,1,0]=3 485 B11R1.1 FCCOc1cnc(cn1)Br 34a_100011934580_100011217306 [0,0,0,0,0,0|3,1,0]=4 486 B11R1.1 FCCOc1cnc(cn1)Cl 34a_100015839800_100011217306 [0,0,0,0,0,0|3,0,0]=3 487 B11R1.1 FCCOc1cnc(nc1)Br 34a_100000730009_100011217306 [0,0,0,0,0,0|3,1,0]=4 488 B11R1.1 FCCOc1cnc(nc1)Br 7a_100000730009_100011217306 [0,0,0,0,0,0|3,1,0]=4 489 B11R1.1 FCCOc1cnc(nc1)Cl 34a_100000092845_100011217306 [0,0,0,0,0,0|3,0,0]=3 490 B11R1.1 FCCOc1cnc(nc1)Cl 7a_100000092845_100011217306 [0,0,0,0,0,0|3,0,0]=3 491 B11R1.1 FCCOc1cnc(nc1)F 34a_200009874573_100011217306 [0,0,0,0,0,0|3,1,0]=4 492 B11R1.1 FCCOc1cnc(nc1)F 7a_200009874573_100011217306 [0,0,0,0,0,0|3,1,0]=4 493 B11R1.1 FCCOc1ncc(cn1)F 34a_100011934040_100011217306 [0,0,0,0,0,0|3,1,0]=4 494 B11R1.1 FCCSc1ccc(cc1)Br 62a_100000752885_100011217306 [0,0,0,0,0,0|1,2,0]=3 495 B11R1.1 FCCSc1ccc(cc1)Br 62a_100011217306_100000752885 [0,0,0,0,0,0|1,2,0]=3 496 B11R1.1 FCCSc1ccc(cc1)Cl 62a_100000755918_100011217306 [0,0,0,0,0,0|1,1,0]=2 497 B11R1.1 FCCSc1ccc(cc1)Cl 62a_100011217306_100000755918 [0,0,0,0,0,0|1,1,0]=2 498 B11R1.1 FCCSc1ccc(cc1)F 62a_100000211213_100011217306 [0,0,0,0,0,0|1,2,0]=3 499 B11R1.1 FCCSc1ccc(cc1)F 62a_100011217306_100000211213 [0,0,0,0,0,0|1,2,0]=3 500 B11R1.1 FCCSc1ccc(cn1)Br 62a_100000686858_100011217306 [0,0,0,0,0,0|2,2,0]=4 501 B11R1.1 FCCSc1ccc(cn1)Br 62a_100011217306_100000686858 [0,0,0,0,0,0|2,2,0]=4 502 B11R1.1 FCCSc1ccc(cn1)Cl 62a_100011217306_100011356976 [0,0,0,0,0,0|2,1,0]=3 503 B11R1.1 FCCSc1ccc(cn1)Cl 62a_100011356976_100011217306 [0,0,0,0,0,0|2,1,0]=3 504 B11R1.1 FCCSc1ccc(cn1)F 62a_100000744514_100011217306 [0,0,0,0,0,0|2,2,0]=4 505 B11R1.1 FCCSc1ccc(cn1)F 62a_100011217306_100000744514 [0,0,0,0,0,0|2,2,0]=4 506 B11R1.1 FCCSc1ccc(nc1)Br 62a_100009814638_100011217306 [0,0,0,0,0,0|2,2,0]=4 507 B11R1.1 FCCSc1ccc(nc1)Br 62a_100011217306_100009814638 [0,0,0,0,0,0|2,2,0]=4 508 B11R1.1 FCCSc1ccc(nc1)Cl 62a_100000034144_100011217306 [0,0,0,0,0,0|2,1,0]=3 509 B11R1.1 FCCSc1ccc(nc1)Cl 62a_100011217306_100000034144 [0,0,0,0,0,0|2,1,0]=3 510 B11R1.1 FCCSc1ccc(nc1)F 62a_100000042367_100011217306 [0,0,0,0,0,0|2,2,0]=4 511 B11R1.1 FCCSc1ccc(nc1)F 62a_100011217306_100000042367 [0,0,0,0,0,0|2,2,0]=4 512 B11R1.1 FCCSc1ccc(nn1)Cl 62a_100000068654_100011217306 [0,0,0,0,0,0|3,1,0]=4 513 B11R1.1 FCCSc1ccc(nn1)Cl 62a_100011217306_100000068654 [0,0,0,0,0,0|3,1,0]=4 514 B11R1.1 FCCSc1cnc(cn1)Cl 62a_100010214907_100011217306 [0,0,0,0,0,0|3,1,0]=4 515 B11R1.1 FCCSc1cnc(cn1)Cl 62a_100011217306_100010214907 [0,0,0,0,0,0|3,1,0]=4 516 B11R1.1 FCCSc1cnc(nc1)Cl 62a_100000059775_100011217306 [0,0,0,0,0,0|3,1,0]=4 517 B11R1.1 FCCSc1cnc(nc1)Cl 62a_100011217306_100000059775 [0,0,0,0,0,0|3,1,0]=4 518 B11R1.1 FCCSc1ncc(cn1)Cl 62a_100011217306_100011356929 [0,0,0,0,0,0|3,1,0]=4 519 B11R1.1 FCCSc1ncc(cn1)Cl 62a_100011356929_100011217306 [0,0,0,0,0,0|3,1,0]=4 520 B11R1.1 FCNCc1ccc(cc1)Br 34a_100000174875_100015361967 [0,0,0,0,0,0|3,1,0]=4 521 B11R1.1 FCNCc1ccc(cc1)Cl 34a_100000174871_100015361967 [0,0,0,0,0,0|3,0,0]=3 522 B11R1.1 FCNCc1ccc(cc1)F 34a_100000174882_100015361967 [0,0,0,0,0,0|3,1,0]=4 523 B11R1.1 FCNCc1ccc(cc1)I 34a_100016989417_100015361967 [0,0,0,0,0,0|3,1,0]=4 524 B11R1.1 FCNCc1ccc(cn1)Cl 34a_100000697193_100015361967 [0,0,0,0,0,0|4,0,0]=4 525 B11R1.1 FCNCc1ccc(nc1)Cl 34a_100000735879_100015361967 [0,0,0,0,0,0|4,0,0]=4 526 B11R1.1 FCOCc1ccc(cc1)Br 34a_100000695286_100015361967 [0,0,0,0,0,0|3,1,0]=4 527 B11R1.1 FCOCc1ccc(cc1)Cl 34a_100000211118_100015361967 [0,0,0,0,0,0|3,0,0]=3 528 B11R1.1 FCOCc1ccc(cc1)Cl 7a_100000211118_100015361967 [0,0,0,0,0,0|3,0,0]=3 529 B11R1.1 FCOCc1ccc(cc1)F 34a_100000210977_100015361967 [0,0,0,0,0,0|3,1,0]=4 530 B11R1.1 FCOCc1ccc(cc1)F 7a_100000210977_100015361967 [0,0,0,0,0,0|3,1,0]=4 531 B11R1.1 FCOCc1ccc(cc1)I 34a_100000690907_100015361967 [0,0,0,0,0,0|3,1,0]=4 532 B11R1.1 FCOCc1ccc(cc1)I 7a_100000690907_100015361967 [0,0,0,0,0,0|3,1,0]=4 533 B11R1.1 FCOCc1ccc(cn1)Cl 34a_100000703999_100015361967 [0,0,0,0,0,0|4,0,0]=4 534 B11R1.1 FCOCc1ccc(nc1)Cl 34a_100000755211_100015361967 [0,0,0,0,0,0|4,0,0]=4 535 B11R1.1 FCOCc1ccc(nc1)Cl 7a_100000755211_100015361967 [0,0,0,0,0,0|4,0,0]=4 536 B11R1.1 FCSCc1ccc(cc1)Br 62a_100000189115_100015361967 [0,0,0,0,0,0|3,1,0]=4 537 B11R1.1 FCSCc1ccc(cc1)Br 62a_100015361967_100000189115 [0,0,0,0,0,0|3,1,0]=4 538 B11R1.1 FCSCc1ccc(cc1)Cl 62a_100000187161_100015361967 [0,0,0,0,0,0|3,0,0]=3 539 B11R1.1 FCSCc1ccc(cc1)Cl 62a_100015361967_100000187161 [0,0,0,0,0,0|3,0,0]=3 540 B11R1.1 FCSCc1ccc(cc1)F 62a_100000198546_100015361967 [0,0,0,0,0,0|3,1,0]=4 541 B11R1.1 FCSCc1ccc(cc1)F 62a_100015361967_100000187164 [0,0,0,0,0,0|3,1,0]=4 542 B11R1.1 FCSCc1ccc(cc1)I 62a_100000189116_100015361967 [0,0,0,0,0,0|3,1,0]=4 543 B11R1.1 FCSCc1ccc(cc1)I 62a_100015361967_100000189116 [0,0,0,0,0,0|3,1,0]=4 544 B11R1.1 FCSCc1ccc(cn1)Cl 62a_100012066911_100015361967 [0,0,0,0,0,0|4,0,0]=4 545 B11R1.1 FCSCc1ccc(cn1)Cl 62a_100015361967_100000697101 [0,0,0,0,0,0|4,0,0]=4 546 B11R1.1 FCSCc1ccc(nc1)Cl 62a_100000735431_100015361967 [0,0,0,0,0,0|4,0,0]=4 547 B11R1.1 FCSCc1ccc(nc1)Cl 62a_100015361967_100000735431 [0,0,0,0,0,0|4,0,0]=4 548 B11R1.1 N#CCCc1ccc(cc1)O 271570a_203496583355_100011216407 [0,0,0,0,0,0|3,0,1]=4 549 B11R1.1 N#CCNc1ccc(cc1)Br 2230a_100000210018_100011215382 [0,0,0,0,0,0|2,1,1]=4 550 B11R1.1 N#CCNc1ccc(cc1)Cl 2230a_100000210052_100011215382 [0,0,0,0,0,0|2,0,1]=3 551 B11R1.1 N#CCOc1ccc(cc1)Br 7a_100000185759_100011215382 [0,0,0,0,0,0|1,1,1]=3 552 B11R1.1 N#CCOc1ccc(cc1)Cl 7a_100000210216_100011215382 [0,0,0,0,0,0|1,0,1]=2 553 B11R1.1 N#CCOc1ccc(cc1)I 7a_100000212066_100011215382 [0,0,0,0,0,0|1,1,1]=3 554 B11R1.1 N#CCOc1ccc(cc1)O 271570a_203496583355_200000169425 [0,0,0,0,0,0|2,0,1]=3 555 B11R1.1 N#CCOc1ccc(nc1)Br 7a_100000685995_100011215382 [0,0,0,0,0,0|2,1,1]=4 556 B11R1.1 N#CCOc1ccc(nc1)Cl 7a_100000744096_100011215382 [0,0,0,0,0,0|2,0,1]=3 557 B11R1.1 N#CCOc1ccc(nc1)F 7a_100000688820_100011215382 [0,0,0,0,0,0|2,1,1]=4 558 B11R1.1 N#CCOc1ccc(nc1)I 7a_100000687607_100011215382 [0,0,0,0,0,0|2,1,1]=4 559 B11R1.1 N#CCOc1ccc(nc1)N 7a_100015188713_100011215382 [0,0,0,0,0,0|3,0,1]=4 560 B11R1.1 N#CCOc1cnc(nc1)Cl 7a_100000092845_100011215382 [0,0,0,0,0,0|3,0,1]=4 561 B11R1.1 N#CCSc1ccc(cc1)Br 62a_100000752885_100011215382 [0,0,0,0,0,0|1,2,1]=4 562 B11R1.1 N#CCSc1ccc(cc1)Br 62a_100011215382_100000752885 [0,0,0,0,0,0|1,2,1]=4 563 B11R1.1 N#CCSc1ccc(cc1)Cl 62a_100000755918_100011215382 [0,0,0,0,0,0|1,1,1]=3 564 B11R1.1 N#CCSc1ccc(cc1)Cl 62a_100011215382_100000755918 [0,0,0,0,0,0|1,1,1]=3 565 B11R1.1 N#CCSc1ccc(cc1)F 62a_100000211213_100011215382 [0,0,0,0,0,0|1,2,1]=4 566 B11R1.1 N#CCSc1ccc(cc1)F 62a_100011215382_100000211213 [0,0,0,0,0,0|1,2,1]=4 567 B11R1.1 N#CCSc1ccc(cc1)N 62a_100000185761_100011215382 [0,0,0,0,0,0|2,1,1]=4 568 B11R1.1 N#CCSc1ccc(cc1)N 62a_100011215382_100000185761 [0,0,0,0,0,0|2,1,1]=4 569 B11R1.1 N#CCSc1ccc(cc1)O 62a_100011215382_100000185759 [0,0,0,0,0,0|2,1,1]=4 570 B11R1.1 N#CCSc1ccc(cn1)Cl 62a_100011215382_100011356976 [0,0,0,0,0,0|2,1,1]=4 571 B11R1.1 N#CCSc1ccc(cn1)Cl 62a_100011356976_100011215382 [0,0,0,0,0,0|2,1,1]=4 572 B11R1.1 N#CCSc1ccc(nc1)Cl 62a_100000034144_100011215382 [0,0,0,0,0,0|2,1,1]=4 573 B11R1.1 N#CCSc1ccc(nc1)Cl 62a_100011215382_100000034144 [0,0,0,0,0,0|2,1,1]=4 574 B11R1.1 NCCCc1ccc(cc1)O 271570a_203496583355_100011297623 [0,0,0,0,0,0|3,0,0]=3 575 B11R1.1 NCCNc1ccc(cn1)O 271570a_203496583355_200011214600 [0,0,0,0,0,0|4,0,0]=4 576 B11R1.1 NCCOc1ccc(cc1)O 271570a_203496583355_100000746992 [0,0,0,0,0,0|2,0,0]=2 577 B11R1.1 NCCSc1ccc(cc1)O 271570a_203496583355_100000184645 [0,0,0,0,0,0|2,1,0]=3 578 B11R1.1 Nc1ccc(cc1)COCF 34a_100011215238_100015361967 [0,0,0,0,0,0|4,0,0]=4 579 B11R1.1 Nc1ccc(cc1)OCC=O 34a_100000185829_200009817547 [0,0,0,0,0,0|1,0,2]=3 580 B11R1.1 Nc1ccc(cc1)OCCF 34a_100000185829_100011217306 [0,0,0,0,0,0|2,0,0]=2 581 B11R1.1 Nc1ccc(cc1)OCCO 34a_100000185829_100000211926 [0,0,0,0,0,0|1,0,0]=1 582 B11R1.1 Nc1ccc(cc1)SCC=O 62a_100000185761_200015260668 [0,0,0,0,0,0|1,1,2]=4 583 B11R1.1 Nc1ccc(cc1)SCC=O 62a_200015260668_100000185761 [0,0,0,0,0,0|1,1,2]=4 584 B11R1.1 Nc1ccc(cc1)SCCF 62a_100000185761_100011217306 [0,0,0,0,0,0|2,1,0]=3 585 B11R1.1 Nc1ccc(cc1)SCCF 62a_100011217306_100000185761 [0,0,0,0,0,0|2,1,0]=3 586 B11R1.1 Nc1ccc(cc1)SCCO 62a_100000185761_100000211926 [0,0,0,0,0,0|1,1,0]=2 587 B11R1.1 Nc1ccc(cc1)SCCO 62a_100000211926_100000185761 [0,0,0,0,0,0|1,1,0]=2 588 B11R1.1 Nc1ccc(cn1)OCC=O 34a_100015188713_200009817547 [0,0,0,0,0,0|2,0,2]=4 589 B11R1.1 Nc1ccc(cn1)OCC=O 7a_100015188713_200015260668 [0,0,0,0,0,0|2,0,2]=4 590 B11R1.1 Nc1ccc(cn1)OCCF 34a_100015188713_100011217306 [0,0,0,0,0,0|3,0,0]=3 591 B11R1.1 Nc1ccc(cn1)OCCF 7a_100015188713_100011217306 [0,0,0,0,0,0|3,0,0]=3 592 B11R1.1 Nc1ccc(cn1)OCCO 34a_100015188713_100000211926 [0,0,0,0,0,0|2,0,0]=2 593 B11R1.1 Nc1ccc(cn1)OCCO 7a_100015188713_100000211926 [0,0,0,0,0,0|2,0,0]=2 594 B11R1.1 Nc1ccc(cn1)SCCF 62a_100000187370_100011217306 [0,0,0,0,0,0|3,1,0]=4 595 B11R1.1 Nc1ccc(cn1)SCCF 62a_100011217306_100000187370 [0,0,0,0,0,0|3,1,0]=4 596 B11R1.1 Nc1ccc(cn1)SCCO 62a_100000187370_100000211926 [0,0,0,0,0,0|2,1,0]=3 597 B11R1.1 Nc1ccc(cn1)SCCO 62a_100000211926_100000187370 [0,0,0,0,0,0|2,1,0]=3 598 B11R1.1 Nc1ccc(nc1)OCC=O 34a_100000729260_200009817547 [0,0,0,0,0,0|2,0,2]=4 599 B11R1.1 Nc1ccc(nc1)OCCF 34a_100000729260_100011217306 [0,0,0,0,0,0|3,0,0]=3 600 B11R1.1 Nc1ccc(nc1)OCCO 34a_100000729260_100000211926 [0,0,0,0,0,0|2,0,0]=2 601 B11R1.1 Nc1ccc(nc1)SCCF 62a_100000737798_100011217306 [0,0,0,0,0,0|3,1,0]=4 602 B11R1.1 Nc1ccc(nc1)SCCF 62a_100011217306_100000737798 [0,0,0,0,0,0|3,1,0]=4 603 B11R1.1 Nc1ccc(nc1)SCCO 62a_100000211926_100000737798 [0,0,0,0,0,0|2,1,0]=3 604 B11R1.1 Nc1ccc(nc1)SCCO 62a_100000737798_100000211926 [0,0,0,0,0,0|2,1,0]=3 605 B11R1.1 Nc1ccc(nn1)SCCO 62a_100000211926_100010219413 [0,0,0,0,0,0|3,1,0]=4 606 B11R1.1 Nc1ccc(nn1)SCCO 62a_100010219413_100000211926 [0,0,0,0,0,0|3,1,0]=4 607 B11R1.1 Nc1cnc(cn1)SCCO 62a_100000211926_100000744751 [0,0,0,0,0,0|3,1,0]=4 608 B11R1.1 Nc1cnc(cn1)SCCO 62a_100000744751_100000211926 [0,0,0,0,0,0|3,1,0]=4 609 B11R1.1 Nc1cnc(nc1)SCCO 62a_100000068403_100000211926 [0,0,0,0,0,0|3,1,0]=4 610 B11R1.1 Nc1cnc(nc1)SCCO 62a_100000211926_100000068403 [0,0,0,0,0,0|3,1,0]=4 611 B11R1.1 Nc1ncc(cn1)OCCF 34a_100000087137_100011217306 [0,0,0,0,0,0|4,0,0]=4 612 B11R1.1 Nc1ncc(cn1)OCCF 7a_100000087137_100011217306 [0,0,0,0,0,0|4,0,0]=4 613 B11R1.1 Nc1ncc(cn1)OCCO 34a_100000087137_100000211926 [0,0,0,0,0,0|3,0,0]=3 614 B11R1.1 Nc1ncc(cn1)OCCO 7a_100000087137_100000211926 [0,0,0,0,0,0|3,0,0]=3 615 B11R1.1 Nc1ncc(cn1)SCCO 62a_100000211926_100000766020 [0,0,0,0,0,0|3,1,0]=4 616 B11R1.1 Nc1ncc(cn1)SCCO 62a_100000766020_100000211926 [0,0,0,0,0,0|3,1,0]=4 617 B11R1.1 O=CCCc1ccc(cc1)O 271570a_203496583355_100011361538 [0,0,0,0,0,0|2,0,2]=4 618 B11R1.1 O=CCNc1ccc(cc1)Br 2230a_100000210018_200015260668 [0,0,0,0,0,0|1,1,2]=4 619 B11R1.1 O=CCNc1ccc(cc1)Br 34a_100000210018_200009817547 [0,0,0,0,0,0|1,1,2]=4 620 B11R1.1 O=CCNc1ccc(cc1)Cl 2230a_100000210052_200015260668 [0,0,0,0,0,0|1,0,2]=3 621 B11R1.1 O=CCNc1ccc(cc1)Cl 34a_100000210052_200009817547 [0,0,0,0,0,0|1,0,2]=3 622 B11R1.1 O=CCNc1ccc(cc1)F 34a_100000185862_200009817547 [0,0,0,0,0,0|1,1,2]=4 623 B11R1.1 O=CCNc1ccc(cc1)I 34a_100000185761_200009817547 [0,0,0,0,0,0|1,1,2]=4 624 B11R1.1 O=CCNc1ccc(cc1)O 34a_100000185829_200009817547 [0,0,0,0,0,0|2,0,2]=4 625 B11R1.1 O=CCOc1ccc(=O)[nH]c1 34a_100000075641_200009817547 [0,0,0,0,0,0|2,0,2]=4 626 B11R1.1 O=CCOc1ccc(cc1)Br 34a_100000185759_200009817547 [0,0,0,0,0,0|0,1,2]=3 627 B11R1.1 O=CCOc1ccc(cc1)Br 7a_100000185759_200015260668 [0,0,0,0,0,0|0,1,2]=3 628 B11R1.1 O=CCOc1ccc(cc1)Cl 34a_100000210216_200009817547 [0,0,0,0,0,0|0,0,2]=2 629 B11R1.1 O=CCOc1ccc(cc1)Cl 7a_100000210216_200015260668 [0,0,0,0,0,0|0,0,2]=2 630 B11R1.1 O=CCOc1ccc(cc1)F 34a_100000210339_200009817547 [0,0,0,0,0,0|0,1,2]=3 631 B11R1.1 O=CCOc1ccc(cc1)I 34a_100000212066_200009817547 [0,0,0,0,0,0|0,1,2]=3 632 B11R1.1 O=CCOc1ccc(cc1)I 7a_100000212066_200015260668 [0,0,0,0,0,0|0,1,2]=3 633 B11R1.1 O=CCOc1ccc(cn1)Cl 34a_100011215309_200009817547 [0,0,0,0,0,0|1,0,2]=3 634 B11R1.1 O=CCOc1ccc(cn1)F 34a_100000742473_200009817547 [0,0,0,0,0,0|1,1,2]=4 635 B11R1.1 O=CCOc1ccc(nc1)Br 34a_100000685995_200009817547 [0,0,0,0,0,0|1,1,2]=4 636 B11R1.1 O=CCOc1ccc(nc1)Br 7a_100000685995_200015260668 [0,0,0,0,0,0|1,1,2]=4 637 B11R1.1 O=CCOc1ccc(nc1)Cl 34a_100000744096_200009817547 [0,0,0,0,0,0|1,0,2]=3 638 B11R1.1 O=CCOc1ccc(nc1)Cl 7a_100000744096_200015260668 [0,0,0,0,0,0|1,0,2]=3 639 B11R1.1 O=CCOc1ccc(nc1)F 34a_100000688820_200009817547 [0,0,0,0,0,0|1,1,2]=4 640 B11R1.1 O=CCOc1ccc(nc1)F 7a_100000688820_200015260668 [0,0,0,0,0,0|1,1,2]=4 641 B11R1.1 O=CCOc1ccc(nc1)I 34a_100000687607_200009817547 [0,0,0,0,0,0|1,1,2]=4 642 B11R1.1 O=CCOc1ccc(nc1)I 7a_100000687607_200015260668 [0,0,0,0,0,0|1,1,2]=4 643 B11R1.1 O=CCOc1cnc(cn1)Cl 34a_100015839800_200009817547 [0,0,0,0,0,0|2,0,2]=4 644 B11R1.1 O=CCOc1cnc(nc1)Cl 34a_100000092845_200009817547 [0,0,0,0,0,0|2,0,2]=4 645 B11R1.1 O=CCOc1cnc(nc1)Cl 7a_100000092845_200015260668 [0,0,0,0,0,0|2,0,2]=4 646 B11R1.1 O=CCSc1ccc(cc1)Br 62a_100000752885_200015260668 [0,0,0,0,0,0|0,2,2]=4 647 B11R1.1 O=CCSc1ccc(cc1)Br 62a_200015260668_100000752885 [0,0,0,0,0,0|0,2,2]=4 648 B11R1.1 O=CCSc1ccc(cc1)Cl 62a_100000755918_200015260668 [0,0,0,0,0,0|0,1,2]=3 649 B11R1.1 O=CCSc1ccc(cc1)Cl 62a_200015260668_100000755918 [0,0,0,0,0,0|0,1,2]=3 650 B11R1.1 O=CCSc1ccc(cc1)F 62a_100000211213_200015260668 [0,0,0,0,0,0|0,2,2]=4 651 B11R1.1 O=CCSc1ccc(cc1)F 62a_200015260668_100000211213 [0,0,0,0,0,0|0,2,2]=4 652 B11R1.1 O=CCSc1ccc(cc1)O 62a_200015260668_100000185759 [0,0,0,0,0,0|1,1,2]=4 653 B11R1.1 O=CCSc1ccc(cn1)Cl 62a_100011356976_200015260668 [0,0,0,0,0,0|1,1,2]=4 654 B11R1.1 O=CCSc1ccc(cn1)Cl 62a_200015260668_100011356976 [0,0,0,0,0,0|1,1,2]=4 655 B11R1.1 O=CCSc1ccc(nc1)Cl 62a_100000034144_200015260668 [0,0,0,0,0,0|1,1,2]=4 656 B11R1.1 O=CCSc1ccc(nc1)Cl 62a_200015260668_100000034144 [0,0,0,0,0,0|1,1,2]=4 657 B11R1.1 O=c1ccc(c[nH]1)OCCF 34a_100000075641_100011217306 [0,0,0,0,0,0|3,0,0]=3 658 B11R1.1 O=c1ccc(c[nH]1)OCCO 34a_100000075641_100000211926 [0,0,0,0,0,0|2,0,0]=2 659 B11R1.1 O=c1ccc(c[nH]1)SCCF 62a_100000212171_100011217306 [0,0,0,0,0,0|3,1,0]=4 660 B11R1.1 O=c1ccc(c[nH]1)SCCF 62a_100011217306_100000212171 [0,0,0,0,0,0|3,1,0]=4 661 B11R1.1 O=c1ccc(c[nH]1)SCCO 62a_100000211926_100000212171 [0,0,0,0,0,0|2,1,0]=3 662 B11R1.1 O=c1ccc(c[nH]1)SCCO 62a_100000212171_100000211926 [0,0,0,0,0,0|2,1,0]=3 663 B11R1.1 O=c1ccc(n[nH]1)SCCO 62a_100000211926_100009820020 [0,0,0,0,0,0|3,1,0]=4 664 B11R1.1 O=c1ccc(n[nH]1)SCCO 62a_100009820020_100000211926 [0,0,0,0,0,0|3,1,0]=4 665 B11R1.1 O=c1ncc(c[nH]1)SCCO 62a_100000211926_102495366499 [0,0,0,0,0,0|3,1,0]=4 666 B11R1.1 O=c1ncc(c[nH]1)SCCO 62a_102495366499_100000211926 [0,0,0,0,0,0|3,1,0]=4 667 B11R1.1 OCC#Cc1ccc(cc1)O 271570a_203496583355_100009814260 [0,0,0,0,0,0|2,0,1]=3 668 B11R1.1 OCCCc1ccc(cc1)O 271570a_203496583355_100011709247 [0,0,0,0,0,0|2,0,0]=2 669 B11R1.1 OCCNc1ccc(cc1)Br 2230a_100000210018_100000211926 [0,0,0,0,0,0|1,1,0]=2 670 B11R1.1 OCCNc1ccc(cc1)Br 34a_100000210018_100000211926 [0,0,0,0,0,0|1,1,0]=2 671 B11R1.1 OCCNc1ccc(cc1)Cl 2230a_100000210052_100000211926 [0,0,0,0,0,0|1,0,0]=1 672 B11R1.1 OCCNc1ccc(cc1)Cl 34a_100000210052_100000211926 [0,0,0,0,0,0|1,0,0]=1 673 B11R1.1 OCCNc1ccc(cc1)F 34a_100000185862_100000211926 [0,0,0,0,0,0|1,1,0]=2 674 B11R1.1 OCCNc1ccc(cc1)I 34a_100000185761_100000211926 [0,0,0,0,0,0|1,1,0]=2 675 B11R1.1 OCCNc1ccc(cc1)O 34a_100000185829_100000211926 [0,0,0,0,0,0|2,0,0]=2 676 B11R1.1 OCCNc1ccc(cn1)Br 27a_100000210304_100000686858 [0,0,0,0,0,0|2,1,0]=3 677 B11R1.1 OCCNc1ccc(nn1)O 271570a_203496583355_100000767036 [0,0,0,0,0,0|4,0,0]=4 678 B11R1.1 OCCNc1cnc(cn1)Br 27a_100000210304_100010187541 [0,0,0,0,0,0|3,1,0]=4 679 B11R1.1 OCCNc1cnc(cn1)F 27a_100000210304_100009856528 [0,0,0,0,0,0|3,1,0]=4 680 B11R1.1 OCCNc1ncc(cn1)Br 27a_100000210304_100000690281 [0,0,0,0,0,0|3,1,0]=4 681 B11R1.1 OCCNc1ncc(cn1)Cl 27a_100000210304_100011356929 [0,0,0,0,0,0|3,0,0]=3 682 B11R1.1 OCCNc1ncc(cn1)F 27a_100000210304_100000685220 [0,0,0,0,0,0|3,1,0]=4 683 B11R1.1 OCCOc1ccc(cc1)Br 34a_100000185759_100000211926 [0,0,0,0,0,0|0,1,0]=1 684 B11R1.1 OCCOc1ccc(cc1)Br 7a_100000185759_100000211926 [0,0,0,0,0,0|0,1,0]=1 685 B11R1.1 OCCOc1ccc(cc1)Cl 34a_100000210216_100000211926 [0,0,0,0,0,0|0,0,0]=0 686 B11R1.1 OCCOc1ccc(cc1)Cl 7a_100000210216_100000211926 [0,0,0,0,0,0|0,0,0]=0 687 B11R1.1 OCCOc1ccc(cc1)F 34a_100000210339_100000211926 [0,0,0,0,0,0|0,1,0]=1 688 B11R1.1 OCCOc1ccc(cc1)I 34a_100000212066_100000211926 [0,0,0,0,0,0|0,1,0]=1 689 B11R1.1 OCCOc1ccc(cc1)I 7a_100000212066_100000211926 [0,0,0,0,0,0|0,1,0]=1 690 B11R1.1 OCCOc1ccc(cc1)O 271570a_203496583355_100000686261 [0,0,0,0,0,0|1,0,0]=1 691 B11R1.1 OCCOc1ccc(cn1)Cl 34a_100011215309_100000211926 [0,0,0,0,0,0|1,0,0]=1 692 B11R1.1 OCCOc1ccc(cn1)F 34a_100000742473_100000211926 [0,0,0,0,0,0|1,1,0]=2 693 B11R1.1 OCCOc1ccc(nc1)Br 34a_100000685995_100000211926 [0,0,0,0,0,0|1,1,0]=2 694 B11R1.1 OCCOc1ccc(nc1)Br 7a_100000685995_100000211926 [0,0,0,0,0,0|1,1,0]=2 695 B11R1.1 OCCOc1ccc(nc1)Cl 34a_100000744096_100000211926 [0,0,0,0,0,0|1,0,0]=1 696 B11R1.1 OCCOc1ccc(nc1)Cl 7a_100000744096_100000211926 [0,0,0,0,0,0|1,0,0]=1 697 B11R1.1 OCCOc1ccc(nc1)F 34a_100000688820_100000211926 [0,0,0,0,0,0|1,1,0]=2 698 B11R1.1 OCCOc1ccc(nc1)F 7a_100000688820_100000211926 [0,0,0,0,0,0|1,1,0]=2 699 B11R1.1 OCCOc1ccc(nc1)I 34a_100000687607_100000211926 [0,0,0,0,0,0|1,1,0]=2 700 B11R1.1 OCCOc1ccc(nc1)I 7a_100000687607_100000211926 [0,0,0,0,0,0|1,1,0]=2 701 B11R1.1 OCCOc1ccc(nc1)O 271570a_203496583355_200013150534 [0,0,0,0,0,0|2,0,0]=2 702 B11R1.1 OCCOc1cnc(cn1)Br 34a_100011934580_100000211926 [0,0,0,0,0,0|2,1,0]=3 703 B11R1.1 OCCOc1cnc(cn1)Cl 34a_100015839800_100000211926 [0,0,0,0,0,0|2,0,0]=2 704 B11R1.1 OCCOc1cnc(nc1)Br 34a_100000730009_100000211926 [0,0,0,0,0,0|2,1,0]=3 705 B11R1.1 OCCOc1cnc(nc1)Br 7a_100000730009_100000211926 [0,0,0,0,0,0|2,1,0]=3 706 B11R1.1 OCCOc1cnc(nc1)Cl 34a_100000092845_100000211926 [0,0,0,0,0,0|2,0,0]=2 707 B11R1.1 OCCOc1cnc(nc1)Cl 7a_100000092845_100000211926 [0,0,0,0,0,0|2,0,0]=2 708 B11R1.1 OCCOc1cnc(nc1)F 34a_200009874573_100000211926 [0,0,0,0,0,0|2,1,0]=3 709 B11R1.1 OCCOc1cnc(nc1)F 7a_200009874573_100000211926 [0,0,0,0,0,0|2,1,0]=3 710 B11R1.1 OCCOc1ncc(cn1)F 34a_100011934040_100000211926 [0,0,0,0,0,0|2,1,0]=3 711 B11R1.1 OCCSc1ccc(cc1)Br 62a_100000211926_100000752885 [0,0,0,0,0,0|0,2,0]=2 712 B11R1.1 OCCSc1ccc(cc1)Br 62a_100000752885_100000211926 [0,0,0,0,0,0|0,2,0]=2 713 B11R1.1 OCCSc1ccc(cc1)Cl 62a_100000211926_100000755918 [0,0,0,0,0,0|0,1,0]=1 714 B11R1.1 OCCSc1ccc(cc1)Cl 62a_100000755918_100000211926 [0,0,0,0,0,0|0,1,0]=1 715 B11R1.1 OCCSc1ccc(cc1)F 62a_100000211213_100000211926 [0,0,0,0,0,0|0,2,0]=2 716 B11R1.1 OCCSc1ccc(cc1)F 62a_100000211926_100000211213 [0,0,0,0,0,0|0,2,0]=2 717 B11R1.1 OCCSc1ccc(cc1)O 62a_100000211926_100000185759 [0,0,0,0,0,0|1,1,0]=2 718 B11R1.1 OCCSc1ccc(cn1)Br 62a_100000211926_100000686858 [0,0,0,0,0,0|1,2,0]=3 719 B11R1.1 OCCSc1ccc(cn1)Br 62a_100000686858_100000211926 [0,0,0,0,0,0|1,2,0]=3 720 B11R1.1 OCCSc1ccc(cn1)Cl 62a_100000211926_100011356976 [0,0,0,0,0,0|1,1,0]=2 721 B11R1.1 OCCSc1ccc(cn1)Cl 62a_100011356976_100000211926 [0,0,0,0,0,0|1,1,0]=2 722 B11R1.1 OCCSc1ccc(cn1)F 62a_100000211926_100000744514 [0,0,0,0,0,0|1,2,0]=3 723 B11R1.1 OCCSc1ccc(cn1)F 62a_100000744514_100000211926 [0,0,0,0,0,0|1,2,0]=3 724 B11R1.1 OCCSc1ccc(cn1)O 62a_100000211926_100000744096 [0,0,0,0,0,0|2,1,0]=3 725 B11R1.1 OCCSc1ccc(cn1)O 62a_100000685995_100000211926 [0,0,0,0,0,0|2,1,0]=3 726 B11R1.1 OCCSc1ccc(nc1)Br 62a_100000211926_100009814638 [0,0,0,0,0,0|1,2,0]=3 727 B11R1.1 OCCSc1ccc(nc1)Br 62a_100009814638_100000211926 [0,0,0,0,0,0|1,2,0]=3 728 B11R1.1 OCCSc1ccc(nc1)Cl 62a_100000034144_100000211926 [0,0,0,0,0,0|1,1,0]=2 729 B11R1.1 OCCSc1ccc(nc1)Cl 62a_100000211926_100000034144 [0,0,0,0,0,0|1,1,0]=2 730 B11R1.1 OCCSc1ccc(nc1)F 62a_100000042367_100000211926 [0,0,0,0,0,0|1,2,0]=3 731 B11R1.1 OCCSc1ccc(nc1)F 62a_100000211926_100000042367 [0,0,0,0,0,0|1,2,0]=3 732 B11R1.1 OCCSc1ccc(nn1)Cl 62a_100000068654_100000211926 [0,0,0,0,0,0|2,1,0]=3 733 B11R1.1 OCCSc1ccc(nn1)Cl 62a_100000211926_100000068654 [0,0,0,0,0,0|2,1,0]=3 734 B11R1.1 OCCSc1ccc(nn1)O 271570a_203496583355_100000215309 [0,0,0,0,0,0|3,1,0]=4 735 B11R1.1 OCCSc1cnc(cn1)Br 62a_100000211926_100010187541 [0,0,0,0,0,0|2,2,0]=4 736 B11R1.1 OCCSc1cnc(cn1)Br 62a_100010187541_100000211926 [0,0,0,0,0,0|2,2,0]=4 737 B11R1.1 OCCSc1cnc(cn1)Cl 62a_100000211926_100010214907 [0,0,0,0,0,0|2,1,0]=3 738 B11R1.1 OCCSc1cnc(cn1)Cl 62a_100010214907_100000211926 [0,0,0,0,0,0|2,1,0]=3 739 B11R1.1 OCCSc1cnc(cn1)F 62a_100000211926_100009856528 [0,0,0,0,0,0|2,2,0]=4 740 B11R1.1 OCCSc1cnc(cn1)F 62a_100009856528_100000211926 [0,0,0,0,0,0|2,2,0]=4 741 B11R1.1 OCCSc1cnc(cn1)O 62a_100000211926_100015839800 [0,0,0,0,0,0|3,1,0]=4 742 B11R1.1 OCCSc1cnc(cn1)O 62a_100011934580_100000211926 [0,0,0,0,0,0|3,1,0]=4 743 B11R1.1 OCCSc1cnc(nc1)Br 62a_100000211926_200012349914 [0,0,0,0,0,0|2,2,0]=4 744 B11R1.1 OCCSc1cnc(nc1)Br 62a_200012349914_100000211926 [0,0,0,0,0,0|2,2,0]=4 745 B11R1.1 OCCSc1cnc(nc1)Cl 62a_100000059775_100000211926 [0,0,0,0,0,0|2,1,0]=3 746 B11R1.1 OCCSc1cnc(nc1)Cl 62a_100000211926_100000059775 [0,0,0,0,0,0|2,1,0]=3 747 B11R1.1 OCCSc1cnc(nc1)F 62a_100000211926_100000685262 [0,0,0,0,0,0|2,2,0]=4 748 B11R1.1 OCCSc1cnc(nc1)F 62a_100000685262_100000211926 [0,0,0,0,0,0|2,2,0]=4 749 B11R1.1 OCCSc1ncc(cn1)Br 62a_100000211926_100000690281 [0,0,0,0,0,0|2,2,0]=4 750 B11R1.1 OCCSc1ncc(cn1)Br 62a_100000690281_100000211926 [0,0,0,0,0,0|2,2,0]=4 751 B11R1.1 OCCSc1ncc(cn1)Cl 62a_100000211926_100011356929 [0,0,0,0,0,0|2,1,0]=3 752 B11R1.1 OCCSc1ncc(cn1)Cl 62a_100011356929_100000211926 [0,0,0,0,0,0|2,1,0]=3 753 B11R1.1 OCCSc1ncc(cn1)F 62a_100000211926_100000685220 [0,0,0,0,0,0|2,2,0]=4 754 B11R1.1 OCCSc1ncc(cn1)F 62a_100000685220_100000211926 [0,0,0,0,0,0|2,2,0]=4 755 B11R1.1 OCCSc1ncc(cn1)O 62a_100000211926_100000092845 [0,0,0,0,0,0|3,1,0]=4 756 B11R1.1 OCCSc1ncc(cn1)O 62a_100000730009_100000211926 [0,0,0,0,0,0|3,1,0]=4 757 B11R1.1 Oc1ccc(cc1)CNCF 34a_100000185549_100015361967 [0,0,0,0,0,0|4,0,0]=4 758 B11R1.1 Oc1ccc(cc1)NCCF 34a_100000185829_100011217306 [0,0,0,0,0,0|3,0,0]=3 759 B11R1.1 Oc1ccc(cc1)OCCF 271570a_203496583355_100012347556 [0,0,0,0,0,0|2,0,0]=2 760 B11R1.1 Oc1ccc(cc1)SCCF 62a_100011217306_100000185759 [0,0,0,0,0,0|2,1,0]=3 761 B11R1.1 Oc1ccc(nc1)SCCF 62a_100000685995_100011217306 [0,0,0,0,0,0|3,1,0]=4 762 B11R1.1 Oc1ccc(nc1)SCCF 62a_100011217306_100000744096 [0,0,0,0,0,0|3,1,0]=4 763 B11R1.1 [13CH3]NCCc1ccc(cc1)Br 2230a_100000755846_200025704644 [0,0,0,0,0,0|3,1,0]=4 764 B11R1.1 [13CH3]NCCc1ccc(cc1)Br 34a_100000755846_200025704644 [0,0,0,0,0,0|3,1,0]=4 765 B11R1.1 [13CH3]NCCc1ccc(cc1)Cl 2230a_100000185265_200025704644 [0,0,0,0,0,0|3,0,0]=3 766 B11R1.1 [13CH3]NCCc1ccc(cc1)Cl 34a_100000185265_200025704644 [0,0,0,0,0,0|3,0,0]=3 767 B11R1.1 [13CH3]NCCc1ccc(cc1)F 2230a_100000199005_200025704644 [0,0,0,0,0,0|3,1,0]=4 768 B11R1.1 [13CH3]NCCc1ccc(cc1)F 34a_100000199005_200025704644 [0,0,0,0,0,0|3,1,0]=4 769 B11R1.1 [13CH3]NCCc1ccc(cc1)O 34a_100000743037_200025704644 [0,0,0,0,0,0|4,0,0]=4 770 B11R1.1 [13CH3]OCCc1ccc(cc1)Br 34a_100000766406_200025704644 [0,0,0,0,0,0|3,1,0]=4 771 B11R1.1 [13CH3]OCCc1ccc(cc1)Br 7a_100000766406_200025704644 [0,0,0,0,0,0|3,1,0]=4 772 B11R1.1 [13CH3]OCCc1ccc(cc1)Cl 34a_100011219627_200025704644 [0,0,0,0,0,0|3,0,0]=3 773 B11R1.1 [13CH3]OCCc1ccc(cc1)Cl 7a_100011219627_200025704644 [0,0,0,0,0,0|3,0,0]=3 774 B11R1.1 [13CH3]OCCc1ccc(cc1)F 34a_100000754732_200025704644 [0,0,0,0,0,0|3,1,0]=4 775 B11R1.1 [13CH3]OCCc1ccc(cc1)F 7a_100000754732_200025704644 [0,0,0,0,0,0|3,1,0]=4 776 B11R1.1 [13CH3]OCCc1ccc(cc1)I 34a_100012291149_200025704644 [0,0,0,0,0,0|3,1,0]=4 777 B11R1.1 [13CH3]OCCc1ccc(cc1)I 7a_100012291149_200025704644 [0,0,0,0,0,0|3,1,0]=4 778 B11R1.1 [13CH3]OCCc1ccc(cc1)N 34a_100011204434_200025704644 [0,0,0,0,0,0|4,0,0]=4 779 B11R1.1 [13CH3]OCCc1ccc(nc1)Cl 34a_100009880866_200025704644 [0,0,0,0,0,0|4,0,0]=4 780 B11R1.1 [13CH3]OCCc1ccc(nc1)Cl 7a_100009880866_200025704644 [0,0,0,0,0,0|4,0,0]=4 781 B11R1.1 [13CH3]SCCc1ccc(cc1)Br 62a_100011740612_200025704644 [0,0,0,0,0,0|3,1,0]=4 782 B11R1.1 [13CH3]SCCc1ccc(cc1)Br 62a_200025704644_100011740612 [0,0,0,0,0,0|3,1,0]=4 783 B11R1.1 [13CH3]SCCc1ccc(cc1)Cl 62a_100011713675_200025704644 [0,0,0,0,0,0|3,0,0]=3 784 B11R1.1 [13CH3]SCCc1ccc(cc1)Cl 62a_200025704644_100011713675 [0,0,0,0,0,0|3,0,0]=3 785 B11R1.1 [13CH3]SCCc1ccc(cc1)F 62a_100011217392_200025704644 [0,0,0,0,0,0|3,1,0]=4 786 B11R1.1 [13CH3]SCCc1ccc(cc1)F 62a_200025704644_100011217392 [0,0,0,0,0,0|3,1,0]=4 787 B11R1.1 [13CH3]SCCc1ccc(cc1)O 62a_100009816426_200025704644 [0,0,0,0,0,0|4,0,0]=4 788 B11R1.1 [13CH3]SCCc1ccc(cc1)O 62a_200025704644_100009816426 [0,0,0,0,0,0|4,0,0]=4 789 B11R1.1 [O-][n+]1ccc(cc1)SCCF 62a_100011217306_100000039755 [0,0,0,0,0,0|3,1,0]=4 790 B11R1.1 [O-][n+]1ccc(cc1)SCCO 62a_100000211926_100000039755 [0,0,0,0,0,0|2,1,0]=3 791 B10R1.1 C/C=C/c1ccc(cc1)O 271570a_203496583355_100016259036 [1,0,0,0,0,0|2,0,1]=4 792 B10R1.1 C=C=Cc1ccc(cc1)Cl 271570a_100015277604_100000755918 [1,0,0,0,0,0|1,0,2]=4 793 B10R1.1 CC=Cc1ccc(cc1)Br 271570a_100016259895_100000752885 [1,0,0,0,0,0|1,1,1]=4 794 B10R1.1 CC=Cc1ccc(cc1)C 271570a_100016259895_100000186775 [1,0,0,0,0,0|2,0,1]=4 795 B10R1.1 CC=Cc1ccc(cc1)Cl 271570a_100016259895_100000755918 [1,0,0,0,0,0|1,0,1]=3 796 B10R1.1 CC=Cc1ccc(cc1)F 271570a_100016259895_100000211213 [1,0,0,0,0,0|1,1,1]=4 797 B10R1.1 CC=Cc1ccc(cc1)N 271570a_100016259895_100000185761 [1,0,0,0,0,0|2,0,1]=4 798 B10R1.1 CC=Cc1ccc(cc1)O 271570a_100016259895_100000185759 [1,0,0,0,0,0|2,0,1]=4 799 B10R1.1 CC=Cc1ccc(cn1)Cl 271570a_100016259895_100011356976 [1,0,0,0,0,0|2,0,1]=4 800 B10R1.1 CC=Cc1ccc(nc1)Cl 271570a_100016259895_100000034144 [1,0,0,0,0,0|2,0,1]=4 801 B10R1.1 CCCc1ccc(cc1)O 271570a_203496583355_100000750032 [1,0,0,0,0,0|2,0,0]=3 802 B10R1.1 CCNc1ccc(cc1)Br 2230a_100000210018_100000210202 [1,0,0,0,0,0|1,1,0]=3 803 B10R1.1 CCNc1ccc(cc1)Br 34a_100000210018_100000210202 [1,0,0,0,0,0|1,1,0]=3 804 B10R1.1 CCNc1ccc(cc1)C 34a_100000124888_100000210202 [1,0,0,0,0,0|2,0,0]=3 805 B10R1.1 CCNc1ccc(cc1)Cl 2230a_100000210052_100000210202 [1,0,0,0,0,0|1,0,0]=2 806 B10R1.1 CCNc1ccc(cc1)Cl 34a_100000210052_100000210202 [1,0,0,0,0,0|1,0,0]=2 807 B10R1.1 CCNc1ccc(cc1)F 34a_100000185862_100000210202 [1,0,0,0,0,0|1,1,0]=3 808 B10R1.1 CCNc1ccc(cc1)I 34a_100000185761_100000210202 [1,0,0,0,0,0|1,1,0]=3 809 B10R1.1 CCNc1ccc(cc1)O 271570a_203496583355_100000219632 [1,0,0,0,0,0|2,0,0]=3 810 B10R1.1 CCNc1ccc(cc1)O 34a_100000185829_100000210202 [1,0,0,0,0,0|2,0,0]=3 811 B10R1.1 CCNc1ccc(cn1)Br 27a_100015525214_100000686858 [1,0,0,0,0,0|2,1,0]=4 812 B10R1.1 CCNc1ccc(cn1)O 271570a_203496583355_100000741496 [1,0,0,0,0,0|3,0,0]=4 813 B10R1.1 CCNc1ncc(cn1)Cl 27a_100015525214_100011356929 [1,0,0,0,0,0|3,0,0]=4 814 B10R1.1 CCOc1ccc(=O)[nH]c1 34a_100000075641_100000210202 [1,0,0,0,0,0|2,0,0]=3 815 B10R1.1 CCOc1ccc(cc1)Br 34a_100000185759_100000210202 [1,0,0,0,0,0|0,1,0]=2 816 B10R1.1 CCOc1ccc(cc1)Br 7a_100000185759_100000210202 [1,0,0,0,0,0|0,1,0]=2 817 B10R1.1 CCOc1ccc(cc1)C 34a_100000210336_100000210202 [1,0,0,0,0,0|1,0,0]=2 818 B10R1.1 CCOc1ccc(cc1)C 7a_100000210336_100000210202 [1,0,0,0,0,0|1,0,0]=2 819 B10R1.1 CCOc1ccc(cc1)Cl 34a_100000210216_100000210202 [1,0,0,0,0,0|0,0,0]=1 820 B10R1.1 CCOc1ccc(cc1)Cl 7a_100000210216_100000210202 [1,0,0,0,0,0|0,0,0]=1 821 B10R1.1 CCOc1ccc(cc1)F 34a_100000210339_100000210202 [1,0,0,0,0,0|0,1,0]=2 822 B10R1.1 CCOc1ccc(cc1)I 34a_100000212066_100000210202 [1,0,0,0,0,0|0,1,0]=2 823 B10R1.1 CCOc1ccc(cc1)I 7a_100000212066_100000210202 [1,0,0,0,0,0|0,1,0]=2 824 B10R1.1 CCOc1ccc(cc1)N 34a_100000185829_100000210202 [1,0,0,0,0,0|1,0,0]=2 825 B10R1.1 CCOc1ccc(cc1)O 271570a_203496583355_100000169946 [1,0,0,0,0,0|1,0,0]=2 826 B10R1.1 CCOc1ccc(cn1)C 34a_100000759353_100000210202 [1,0,0,0,0,0|2,0,0]=3 827 B10R1.1 CCOc1ccc(cn1)Cl 34a_100011215309_100000210202 [1,0,0,0,0,0|1,0,0]=2 828 B10R1.1 CCOc1ccc(cn1)F 34a_100000742473_100000210202 [1,0,0,0,0,0|1,1,0]=3 829 B10R1.1 CCOc1ccc(cn1)N 34a_100000729260_100000210202 [1,0,0,0,0,0|2,0,0]=3 830 B10R1.1 CCOc1ccc(cn1)O 271570a_203496583355_100011219444 [1,0,0,0,0,0|2,0,0]=3 831 B10R1.1 CCOc1ccc(nc1)Br 34a_100000685995_100000210202 [1,0,0,0,0,0|1,1,0]=3 832 B10R1.1 CCOc1ccc(nc1)Br 7a_100000685995_100000210202 [1,0,0,0,0,0|1,1,0]=3 833 B10R1.1 CCOc1ccc(nc1)C 34a_100000745506_100000210202 [1,0,0,0,0,0|2,0,0]=3 834 B10R1.1 CCOc1ccc(nc1)C 7a_100000745506_100000210202 [1,0,0,0,0,0|2,0,0]=3 835 B10R1.1 CCOc1ccc(nc1)Cl 34a_100000744096_100000210202 [1,0,0,0,0,0|1,0,0]=2 836 B10R1.1 CCOc1ccc(nc1)Cl 7a_100000744096_100000210202 [1,0,0,0,0,0|1,0,0]=2 837 B10R1.1 CCOc1ccc(nc1)F 34a_100000688820_100000210202 [1,0,0,0,0,0|1,1,0]=3 838 B10R1.1 CCOc1ccc(nc1)F 7a_100000688820_100000210202 [1,0,0,0,0,0|1,1,0]=3 839 B10R1.1 CCOc1ccc(nc1)I 34a_100000687607_100000210202 [1,0,0,0,0,0|1,1,0]=3 840 B10R1.1 CCOc1ccc(nc1)I 7a_100000687607_100000210202 [1,0,0,0,0,0|1,1,0]=3 841 B10R1.1 CCOc1ccc(nc1)N 34a_100015188713_100000210202 [1,0,0,0,0,0|2,0,0]=3 842 B10R1.1 CCOc1ccc(nc1)N 7a_100015188713_100000210202 [1,0,0,0,0,0|2,0,0]=3 843 B10R1.1 CCOc1ccc(nc1)O 271570a_203496583355_100000753957 [1,0,0,0,0,0|2,0,0]=3 844 B10R1.1 CCOc1ccc(nn1)O 271570a_203496583355_100000757289 [1,0,0,0,0,0|3,0,0]=4 845 B10R1.1 CCOc1cnc(cn1)Br 34a_100011934580_100000210202 [1,0,0,0,0,0|2,1,0]=4 846 B10R1.1 CCOc1cnc(cn1)Cl 34a_100015839800_100000210202 [1,0,0,0,0,0|2,0,0]=3 847 B10R1.1 CCOc1cnc(cn1)O 271570a_203496583355_200012356188 [1,0,0,0,0,0|3,0,0]=4 848 B10R1.1 CCOc1cnc(nc1)Br 34a_100000730009_100000210202 [1,0,0,0,0,0|2,1,0]=4 849 B10R1.1 CCOc1cnc(nc1)Br 7a_100000730009_100000210202 [1,0,0,0,0,0|2,1,0]=4 850 B10R1.1 CCOc1cnc(nc1)C 34a_100000062939_100000210202 [1,0,0,0,0,0|3,0,0]=4 851 B10R1.1 CCOc1cnc(nc1)C 7a_100000062939_100000210202 [1,0,0,0,0,0|3,0,0]=4 852 B10R1.1 CCOc1cnc(nc1)Cl 34a_100000092845_100000210202 [1,0,0,0,0,0|2,0,0]=3 853 B10R1.1 CCOc1cnc(nc1)Cl 7a_100000092845_100000210202 [1,0,0,0,0,0|2,0,0]=3 854 B10R1.1 CCOc1cnc(nc1)F 34a_200009874573_100000210202 [1,0,0,0,0,0|2,1,0]=4 855 B10R1.1 CCOc1cnc(nc1)F 7a_200009874573_100000210202 [1,0,0,0,0,0|2,1,0]=4 856 B10R1.1 CCOc1cnc(nc1)N 34a_100000087137_100000210202 [1,0,0,0,0,0|3,0,0]=4 857 B10R1.1 CCOc1cnc(nc1)N 7a_100000087137_100000210202 [1,0,0,0,0,0|3,0,0]=4 858 B10R1.1 CCOc1cnc(nc1)O 271570a_203496583355_100000099823 [1,0,0,0,0,0|3,0,0]=4 859 B10R1.1 CCOc1ncc(cn1)F 34a_100011934040_100000210202 [1,0,0,0,0,0|2,1,0]=4 860 B10R1.1 CCOc1ncc(cn1)O 271570a_203496583355_100011934766 [1,0,0,0,0,0|3,0,0]=4 861 B10R1.1 CCSc1cc[n+](cc1)[O-] 62a_100000210202_100000039755 [1,0,0,0,0,0|2,1,0]=4 862 B10R1.1 CCSc1ccc(=O)[nH]c1 62a_100000210202_100000212171 [1,0,0,0,0,0|2,1,0]=4 863 B10R1.1 CCSc1ccc(=O)[nH]c1 62a_100000212171_100000210202 [1,0,0,0,0,0|2,1,0]=4 864 B10R1.1 CCSc1ccc(cc1)Br 62a_100000210202_100000752885 [1,0,0,0,0,0|0,2,0]=3 865 B10R1.1 CCSc1ccc(cc1)Br 62a_100000752885_100000210202 [1,0,0,0,0,0|0,2,0]=3 866 B10R1.1 CCSc1ccc(cc1)C 62a_100000186775_100000210202 [1,0,0,0,0,0|1,1,0]=3 867 B10R1.1 CCSc1ccc(cc1)C 62a_100000210202_100000186775 [1,0,0,0,0,0|1,1,0]=3 868 B10R1.1 CCSc1ccc(cc1)Cl 62a_100000210202_100000755918 [1,0,0,0,0,0|0,1,0]=2 869 B10R1.1 CCSc1ccc(cc1)Cl 62a_100000755918_100000210202 [1,0,0,0,0,0|0,1,0]=2 870 B10R1.1 CCSc1ccc(cc1)F 62a_100000210202_100000211213 [1,0,0,0,0,0|0,2,0]=3 871 B10R1.1 CCSc1ccc(cc1)F 62a_100000211213_100000210202 [1,0,0,0,0,0|0,2,0]=3 872 B10R1.1 CCSc1ccc(cc1)N 62a_100000185761_100000210202 [1,0,0,0,0,0|1,1,0]=3 873 B10R1.1 CCSc1ccc(cc1)N 62a_100000210202_100000185761 [1,0,0,0,0,0|1,1,0]=3 874 B10R1.1 CCSc1ccc(cc1)O 271570a_203496583355_200009811893 [1,0,0,0,0,0|1,1,0]=3 875 B10R1.1 CCSc1ccc(cc1)O 62a_100000210202_100000185759 [1,0,0,0,0,0|1,1,0]=3 876 B10R1.1 CCSc1ccc(cn1)Br 62a_100000210202_100000686858 [1,0,0,0,0,0|1,2,0]=4 877 B10R1.1 CCSc1ccc(cn1)Br 62a_100000686858_100000210202 [1,0,0,0,0,0|1,2,0]=4 878 B10R1.1 CCSc1ccc(cn1)C 62a_100000210202_100000754016 [1,0,0,0,0,0|2,1,0]=4 879 B10R1.1 CCSc1ccc(cn1)C 62a_100011192072_100000210202 [1,0,0,0,0,0|2,1,0]=4 880 B10R1.1 CCSc1ccc(cn1)Cl 62a_100000210202_100011356976 [1,0,0,0,0,0|1,1,0]=3 881 B10R1.1 CCSc1ccc(cn1)Cl 62a_100011356976_100000210202 [1,0,0,0,0,0|1,1,0]=3 882 B10R1.1 CCSc1ccc(cn1)F 62a_100000210202_100000744514 [1,0,0,0,0,0|1,2,0]=4 883 B10R1.1 CCSc1ccc(cn1)F 62a_100000744514_100000210202 [1,0,0,0,0,0|1,2,0]=4 884 B10R1.1 CCSc1ccc(cn1)N 62a_100000210202_100000737798 [1,0,0,0,0,0|2,1,0]=4 885 B10R1.1 CCSc1ccc(cn1)N 62a_100000737798_100000210202 [1,0,0,0,0,0|2,1,0]=4 886 B10R1.1 CCSc1ccc(cn1)O 271570a_203496583355_100000690189 [1,0,0,0,0,0|2,1,0]=4 887 B10R1.1 CCSc1ccc(cn1)O 62a_100000210202_100000744096 [1,0,0,0,0,0|2,1,0]=4 888 B10R1.1 CCSc1ccc(cn1)O 62a_100000685995_100000210202 [1,0,0,0,0,0|2,1,0]=4 889 B10R1.1 CCSc1ccc(nc1)Br 62a_100000210202_100009814638 [1,0,0,0,0,0|1,2,0]=4 890 B10R1.1 CCSc1ccc(nc1)Br 62a_100009814638_100000210202 [1,0,0,0,0,0|1,2,0]=4 891 B10R1.1 CCSc1ccc(nc1)C 62a_100000210202_100000751577 [1,0,0,0,0,0|2,1,0]=4 892 B10R1.1 CCSc1ccc(nc1)C 62a_100000751577_100000210202 [1,0,0,0,0,0|2,1,0]=4 893 B10R1.1 CCSc1ccc(nc1)Cl 62a_100000034144_100000210202 [1,0,0,0,0,0|1,1,0]=3 894 B10R1.1 CCSc1ccc(nc1)Cl 62a_100000210202_100000034144 [1,0,0,0,0,0|1,1,0]=3 895 B10R1.1 CCSc1ccc(nc1)F 62a_100000042367_100000210202 [1,0,0,0,0,0|1,2,0]=4 896 B10R1.1 CCSc1ccc(nc1)F 62a_100000210202_100000042367 [1,0,0,0,0,0|1,2,0]=4 897 B10R1.1 CCSc1ccc(nc1)N 62a_100000187370_100000210202 [1,0,0,0,0,0|2,1,0]=4 898 B10R1.1 CCSc1ccc(nc1)N 62a_100000210202_100000187370 [1,0,0,0,0,0|2,1,0]=4 899 B10R1.1 CCSc1ccc(nn1)Cl 62a_100000068654_100000210202 [1,0,0,0,0,0|2,1,0]=4 900 B10R1.1 CCSc1ccc(nn1)Cl 62a_100000210202_100000068654 [1,0,0,0,0,0|2,1,0]=4 901 B10R1.1 CCSc1cnc(cn1)Cl 62a_100000210202_100010214907 [1,0,0,0,0,0|2,1,0]=4 902 B10R1.1 CCSc1cnc(cn1)Cl 62a_100010214907_100000210202 [1,0,0,0,0,0|2,1,0]=4 903 B10R1.1 CCSc1cnc(nc1)Cl 62a_100000059775_100000210202 [1,0,0,0,0,0|2,1,0]=4 904 B10R1.1 CCSc1cnc(nc1)Cl 62a_100000210202_100000059775 [1,0,0,0,0,0|2,1,0]=4 905 B10R1.1 CCSc1ncc(cn1)Cl 62a_100000210202_100011356929 [1,0,0,0,0,0|2,1,0]=4 906 B10R1.1 CCSc1ncc(cn1)Cl 62a_100011356929_100000210202 [1,0,0,0,0,0|2,1,0]=4 907 B10R1.1 CNCc1ccc(cc1)Br 207a_100102657272_100000186029 [1,0,0,0,0,0|2,1,0]=4 908 B10R1.1 CNCc1ccc(cc1)Br 2230a_100000174875_200000210301 [1,0,0,0,0,0|2,1,0]=4 909 B10R1.1 CNCc1ccc(cc1)Br 2230a_106832991635_100011217064 [1,0,0,0,0,0|2,1,0]=4 910 B10R1.1 CNCc1ccc(cc1)Br 26a_100102657272_100000185759 [1,0,0,0,0,0|2,1,0]=4 911 B10R1.1 CNCc1ccc(cc1)Br 270004a_106832991635_100000186029 [1,0,0,0,0,0|2,1,0]=4 912 B10R1.1 CNCc1ccc(cc1)Br 34a_100000174875_200000210301 [1,0,0,0,0,0|2,1,0]=4 913 B10R1.1 CNCc1ccc(cc1)Br 34a_100102657272_100000189115 [1,0,0,0,0,0|2,1,0]=4 914 B10R1.1 CNCc1ccc(cc1)Br 7a_106832991635_100011217064 [1,0,0,0,0,0|2,1,0]=4 915 B10R1.1 CNCc1ccc(cc1)C 207a_100102657272_100000211033 [1,0,0,0,0,0|3,0,0]=4 916 B10R1.1 CNCc1ccc(cc1)C 2230a_100000174908_200000210301 [1,0,0,0,0,0|3,0,0]=4 917 B10R1.1 CNCc1ccc(cc1)C 2230a_106832991635_100000210814 [1,0,0,0,0,0|3,0,0]=4 918 B10R1.1 CNCc1ccc(cc1)C 26a_100102657272_200020625495 [1,0,0,0,0,0|3,0,0]=4 919 B10R1.1 CNCc1ccc(cc1)C 270004a_106832991635_100000211033 [1,0,0,0,0,0|3,0,0]=4 920 B10R1.1 CNCc1ccc(cc1)C 34a_100000174908_200000210301 [1,0,0,0,0,0|3,0,0]=4 921 B10R1.1 CNCc1ccc(cc1)C 34a_100102657272_100000210814 [1,0,0,0,0,0|3,0,0]=4 922 B10R1.1 CNCc1ccc(cc1)C 7a_106832991635_100000210814 [1,0,0,0,0,0|3,0,0]=4 923 B10R1.1 CNCc1ccc(cc1)Cl 207a_100102657272_100000189385 [1,0,0,0,0,0|2,0,0]=3 924 B10R1.1 CNCc1ccc(cc1)Cl 2230a_100000174871_200000210301 [1,0,0,0,0,0|2,0,0]=3 925 B10R1.1 CNCc1ccc(cc1)Cl 2230a_106832991635_100000694040 [1,0,0,0,0,0|2,0,0]=3 926 B10R1.1 CNCc1ccc(cc1)Cl 270004a_106832991635_100000189385 [1,0,0,0,0,0|2,0,0]=3 927 B10R1.1 CNCc1ccc(cc1)Cl 34a_100000174871_200000210301 [1,0,0,0,0,0|2,0,0]=3 928 B10R1.1 CNCc1ccc(cc1)Cl 34a_100102657272_100000694040 [1,0,0,0,0,0|2,0,0]=3 929 B10R1.1 CNCc1ccc(cc1)Cl 7a_106832991635_100000187161 [1,0,0,0,0,0|2,0,0]=3 930 B10R1.1 CNCc1ccc(cc1)F 207a_100102657272_100000210084 [1,0,0,0,0,0|2,1,0]=4 931 B10R1.1 CNCc1ccc(cc1)F 2230a_100000174882_200000210301 [1,0,0,0,0,0|2,1,0]=4 932 B10R1.1 CNCc1ccc(cc1)F 2230a_106832991635_100000198546 [1,0,0,0,0,0|2,1,0]=4 933 B10R1.1 CNCc1ccc(cc1)F 270004a_106832991635_100000210084 [1,0,0,0,0,0|2,1,0]=4 934 B10R1.1 CNCc1ccc(cc1)F 34a_100000174882_200000210301 [1,0,0,0,0,0|2,1,0]=4 935 B10R1.1 CNCc1ccc(cc1)F 34a_100102657272_100000198546 [1,0,0,0,0,0|2,1,0]=4 936 B10R1.1 CNCc1ccc(cc1)F 7a_106832991635_100000198546 [1,0,0,0,0,0|2,1,0]=4 937 B10R1.1 CNCc1ccc(cc1)I 207a_100102657272_100000188517 [1,0,0,0,0,0|2,1,0]=4 938 B10R1.1 CNCc1ccc(cc1)I 2230a_100016989417_200000210301 [1,0,0,0,0,0|2,1,0]=4 939 B10R1.1 CNCc1ccc(cc1)I 2230a_106832991635_100000189116 [1,0,0,0,0,0|2,1,0]=4 940 B10R1.1 CNCc1ccc(cc1)I 34a_100016989417_200000210301 [1,0,0,0,0,0|2,1,0]=4 941 B10R1.1 CNCc1ccc(cc1)I 34a_100102657272_100000189116 [1,0,0,0,0,0|2,1,0]=4 942 B10R1.1 CNCc1ccc(cc1)I 7a_106832991635_100000189116 [1,0,0,0,0,0|2,1,0]=4 943 B10R1.1 CNCc1ccc(cc1)O 271570a_203496583355_100000180866 [1,0,0,0,0,0|3,0,0]=4 944 B10R1.1 CNCc1ccc(cc1)O 34a_100000185549_200000210301 [1,0,0,0,0,0|3,0,0]=4 945 B10R1.1 CNCc1ccc(cn1)Cl 207a_100102657272_100011361569 [1,0,0,0,0,0|3,0,0]=4 946 B10R1.1 CNCc1ccc(cn1)Cl 2230a_106832991635_100012066911 [1,0,0,0,0,0|3,0,0]=4 947 B10R1.1 CNCc1ccc(cn1)Cl 270004a_106832991635_100011361569 [1,0,0,0,0,0|3,0,0]=4 948 B10R1.1 CNCc1ccc(cn1)Cl 34a_100000697193_200000210301 [1,0,0,0,0,0|3,0,0]=4 949 B10R1.1 CNCc1ccc(cn1)Cl 34a_100102657272_100012066911 [1,0,0,0,0,0|3,0,0]=4 950 B10R1.1 CNCc1ccc(cn1)Cl 7a_106832991635_100012066911 [1,0,0,0,0,0|3,0,0]=4 951 B10R1.1 CNCc1ccc(nc1)Cl 2230a_100000735879_200000210301 [1,0,0,0,0,0|3,0,0]=4 952 B10R1.1 CNCc1ccc(nc1)Cl 2230a_106832991635_100000735431 [1,0,0,0,0,0|3,0,0]=4 953 B10R1.1 CNCc1ccc(nc1)Cl 34a_100000735879_200000210301 [1,0,0,0,0,0|3,0,0]=4 954 B10R1.1 CNCc1ccc(nc1)Cl 34a_100102657272_100000735431 [1,0,0,0,0,0|3,0,0]=4 955 B10R1.1 CNCc1ccc(nc1)Cl 7a_106832991635_100000735431 [1,0,0,0,0,0|3,0,0]=4 956 B10R1.1 COCc1ccc(cc1)Br 34a_100000695286_200000210301 [1,0,0,0,0,0|2,1,0]=4 957 B10R1.1 COCc1ccc(cc1)Br 34a_100138415774_100000189115 [1,0,0,0,0,0|2,1,0]=4 958 B10R1.1 COCc1ccc(cc1)C 34a_100011215236_200000210301 [1,0,0,0,0,0|3,0,0]=4 959 B10R1.1 COCc1ccc(cc1)C 34a_100138415774_100000210814 [1,0,0,0,0,0|3,0,0]=4 960 B10R1.1 COCc1ccc(cc1)C 7a_100011215236_200000210301 [1,0,0,0,0,0|3,0,0]=4 961 B10R1.1 COCc1ccc(cc1)Cl 34a_100000211118_200000210301 [1,0,0,0,0,0|2,0,0]=3 962 B10R1.1 COCc1ccc(cc1)Cl 34a_100138415774_100000694040 [1,0,0,0,0,0|2,0,0]=3 963 B10R1.1 COCc1ccc(cc1)Cl 7a_100000211118_200000210301 [1,0,0,0,0,0|2,0,0]=3 964 B10R1.1 COCc1ccc(cc1)F 34a_100000210977_200000210301 [1,0,0,0,0,0|2,1,0]=4 965 B10R1.1 COCc1ccc(cc1)F 34a_100138415774_100000198546 [1,0,0,0,0,0|2,1,0]=4 966 B10R1.1 COCc1ccc(cc1)F 7a_100000210977_200000210301 [1,0,0,0,0,0|2,1,0]=4 967 B10R1.1 COCc1ccc(cc1)I 34a_100000690907_200000210301 [1,0,0,0,0,0|2,1,0]=4 968 B10R1.1 COCc1ccc(cc1)I 34a_100138415774_100000189116 [1,0,0,0,0,0|2,1,0]=4 969 B10R1.1 COCc1ccc(cc1)I 7a_100000690907_200000210301 [1,0,0,0,0,0|2,1,0]=4 970 B10R1.1 COCc1ccc(cc1)N 34a_100011215238_200000210301 [1,0,0,0,0,0|3,0,0]=4 971 B10R1.1 COCc1ccc(cc1)O 271570a_203496583355_100011493685 [1,0,0,0,0,0|3,0,0]=4 972 B10R1.1 COCc1ccc(cn1)Cl 34a_100000703999_200000210301 [1,0,0,0,0,0|3,0,0]=4 973 B10R1.1 COCc1ccc(cn1)Cl 34a_100138415774_100012066911 [1,0,0,0,0,0|3,0,0]=4 974 B10R1.1 COCc1ccc(nc1)Cl 34a_100000755211_200000210301 [1,0,0,0,0,0|3,0,0]=4 975 B10R1.1 COCc1ccc(nc1)Cl 34a_100138415774_100000735431 [1,0,0,0,0,0|3,0,0]=4 976 B10R1.1 COCc1ccc(nc1)Cl 7a_100000755211_200000210301 [1,0,0,0,0,0|3,0,0]=4 977 B10R1.1 CSCc1ccc(cc1)Br 62a_100000189115_200000210301 [1,0,0,0,0,0|2,1,0]=4 978 B10R1.1 CSCc1ccc(cc1)Br 62a_200000210301_100000189115 [1,0,0,0,0,0|2,1,0]=4 979 B10R1.1 CSCc1ccc(cc1)C 62a_100000210814_200000210301 [1,0,0,0,0,0|3,0,0]=4 980 B10R1.1 CSCc1ccc(cc1)C 62a_200000210301_100000210814 [1,0,0,0,0,0|3,0,0]=4 981 B10R1.1 CSCc1ccc(cc1)Cl 62a_100000187161_200000210301 [1,0,0,0,0,0|2,0,0]=3 982 B10R1.1 CSCc1ccc(cc1)Cl 62a_200000210301_100000187161 [1,0,0,0,0,0|2,0,0]=3 983 B10R1.1 CSCc1ccc(cc1)F 62a_100000198546_200000210301 [1,0,0,0,0,0|2,1,0]=4 984 B10R1.1 CSCc1ccc(cc1)F 62a_200000210301_100000187164 [1,0,0,0,0,0|2,1,0]=4 985 B10R1.1 CSCc1ccc(cc1)I 62a_100000189116_200000210301 [1,0,0,0,0,0|2,1,0]=4 986 B10R1.1 CSCc1ccc(cc1)I 62a_200000210301_100000189116 [1,0,0,0,0,0|2,1,0]=4 987 B10R1.1 CSCc1ccc(cn1)Cl 62a_100012066911_200000210301 [1,0,0,0,0,0|3,0,0]=4 988 B10R1.1 CSCc1ccc(cn1)Cl 62a_200000210301_100000697101 [1,0,0,0,0,0|3,0,0]=4 989 B10R1.1 CSCc1ccc(nc1)Cl 62a_100000735431_200000210301 [1,0,0,0,0,0|3,0,0]=4 990 B10R1.1 CSCc1ccc(nc1)Cl 62a_200000210301_100000735431 [1,0,0,0,0,0|3,0,0]=4 991 B10R1.1 Cc1ccc(cc1)CN[13CH3] 2230a_100000174908_200025704644 [1,0,0,0,0,0|3,0,0]=4 992 B10R1.1 Cc1ccc(cc1)CN[13CH3] 34a_100000174908_200025704644 [1,0,0,0,0,0|3,0,0]=4 993 B10R1.1 Cc1ccc(cc1)CO[13CH3] 34a_100011215236_200025704644 [1,0,0,0,0,0|3,0,0]=4 994 B10R1.1 Cc1ccc(cc1)CO[13CH3] 7a_100011215236_200025704644 [1,0,0,0,0,0|3,0,0]=4 995 B10R1.1 Cc1ccc(cc1)CS[13CH3] 62a_100000210814_200025704644 [1,0,0,0,0,0|3,0,0]=4 996 B10R1.1 Cc1ccc(cc1)CS[13CH3] 62a_200025704644_100000210814 [1,0,0,0,0,0|3,0,0]=4 997 B10R1.1 Cc1ccc(cc1)NCF 34a_100000124888_100015361967 [1,0,0,0,0,0|3,0,0]=4 998 B10R1.1 Cc1ccc(cc1)OCF 34a_100000210336_100015361967 [1,0,0,0,0,0|2,0,0]=3 999 B10R1.1 Cc1ccc(cc1)OCF 7a_100000210336_100015361967 [1,0,0,0,0,0|2,0,0]=3 1000 B10R1.1 Cc1ccc(cc1)SCF 62a_100000186775_100015361967 [1,0,0,0,0,0|2,1,0]=4 1001 B10R1.1 Cc1ccc(cc1)SCF 62a_100015361967_100000186775 [1,0,0,0,0,0|2,1,0]=4 1002 B10R1.1 Cc1ccc(cn1)OCF 34a_100000745506_100015361967 [1,0,0,0,0,0|3,0,0]=4 1003 B10R1.1 Cc1ccc(cn1)OCF 7a_100000745506_100015361967 [1,0,0,0,0,0|3,0,0]=4 1004 B10R1.1 Cc1ccc(nc1)OCF 34a_100000759353_100015361967 [1,0,0,0,0,0|3,0,0]=4 1005 B10R1.1 FCNc1ccc(cc1)Br 34a_100000210018_100015361967 [1,0,0,0,0,0|2,1,0]=4 1006 B10R1.1 FCNc1ccc(cc1)Cl 34a_100000210052_100015361967 [1,0,0,0,0,0|2,0,0]=3 1007 B10R1.1 FCNc1ccc(cc1)F 34a_100000185862_100015361967 [1,0,0,0,0,0|2,1,0]=4 1008 B10R1.1 FCNc1ccc(cc1)I 34a_100000185761_100015361967 [1,0,0,0,0,0|2,1,0]=4 1009 B10R1.1 FCOc1ccc(cc1)Br 34a_100000185759_100015361967 [1,0,0,0,0,0|1,1,0]=3 1010 B10R1.1 FCOc1ccc(cc1)Br 7a_100000185759_100015361967 [1,0,0,0,0,0|1,1,0]=3 1011 B10R1.1 FCOc1ccc(cc1)Cl 34a_100000210216_100015361967 [1,0,0,0,0,0|1,0,0]=2 1012 B10R1.1 FCOc1ccc(cc1)Cl 7a_100000210216_100015361967 [1,0,0,0,0,0|1,0,0]=2 1013 B10R1.1 FCOc1ccc(cc1)F 34a_100000210339_100015361967 [1,0,0,0,0,0|1,1,0]=3 1014 B10R1.1 FCOc1ccc(cc1)I 34a_100000212066_100015361967 [1,0,0,0,0,0|1,1,0]=3 1015 B10R1.1 FCOc1ccc(cc1)I 7a_100000212066_100015361967 [1,0,0,0,0,0|1,1,0]=3 1016 B10R1.1 FCOc1ccc(cn1)Cl 34a_100011215309_100015361967 [1,0,0,0,0,0|2,0,0]=3 1017 B10R1.1 FCOc1ccc(cn1)F 34a_100000742473_100015361967 [1,0,0,0,0,0|2,1,0]=4 1018 B10R1.1 FCOc1ccc(nc1)Br 34a_100000685995_100015361967 [1,0,0,0,0,0|2,1,0]=4 1019 B10R1.1 FCOc1ccc(nc1)Br 7a_100000685995_100015361967 [1,0,0,0,0,0|2,1,0]=4 1020 B10R1.1 FCOc1ccc(nc1)Cl 34a_100000744096_100015361967 [1,0,0,0,0,0|2,0,0]=3 1021 B10R1.1 FCOc1ccc(nc1)Cl 7a_100000744096_100015361967 [1,0,0,0,0,0|2,0,0]=3 1022 B10R1.1 FCOc1ccc(nc1)F 34a_100000688820_100015361967 [1,0,0,0,0,0|2,1,0]=4 1023 B10R1.1 FCOc1ccc(nc1)F 7a_100000688820_100015361967 [1,0,0,0,0,0|2,1,0]=4 1024 B10R1.1 FCOc1ccc(nc1)I 34a_100000687607_100015361967 [1,0,0,0,0,0|2,1,0]=4 1025 B10R1.1 FCOc1ccc(nc1)I 7a_100000687607_100015361967 [1,0,0,0,0,0|2,1,0]=4 1026 B10R1.1 FCOc1cnc(cn1)Cl 34a_100015839800_100015361967 [1,0,0,0,0,0|3,0,0]=4 1027 B10R1.1 FCOc1cnc(nc1)Cl 34a_100000092845_100015361967 [1,0,0,0,0,0|3,0,0]=4 1028 B10R1.1 FCOc1cnc(nc1)Cl 7a_100000092845_100015361967 [1,0,0,0,0,0|3,0,0]=4 1029 B10R1.1 FCSc1ccc(cc1)Br 62a_100000752885_100015361967 [1,0,0,0,0,0|1,2,0]=4 1030 B10R1.1 FCSc1ccc(cc1)Br 62a_100015361967_100000752885 [1,0,0,0,0,0|1,2,0]=4 1031 B10R1.1 FCSc1ccc(cc1)Cl 62a_100000755918_100015361967 [1,0,0,0,0,0|1,1,0]=3 1032 B10R1.1 FCSc1ccc(cc1)Cl 62a_100015361967_100000755918 [1,0,0,0,0,0|1,1,0]=3 1033 B10R1.1 FCSc1ccc(cc1)F 62a_100000211213_100015361967 [1,0,0,0,0,0|1,2,0]=4 1034 B10R1.1 FCSc1ccc(cc1)F 62a_100015361967_100000211213 [1,0,0,0,0,0|1,2,0]=4 1035 B10R1.1 FCSc1ccc(cn1)Cl 62a_100011356976_100015361967 [1,0,0,0,0,0|2,1,0]=4 1036 B10R1.1 FCSc1ccc(cn1)Cl 62a_100015361967_100011356976 [1,0,0,0,0,0|2,1,0]=4 1037 B10R1.1 FCSc1ccc(nc1)Cl 62a_100000034144_100015361967 [1,0,0,0,0,0|2,1,0]=4 1038 B10R1.1 FCSc1ccc(nc1)Cl 62a_100015361967_100000034144 [1,0,0,0,0,0|2,1,0]=4 1039 B10R1.1 N#CCc1ccc(cc1)O 271570a_203496583355_100011217881 [1,0,0,0,0,0|2,0,1]=4 1040 B10R1.1 NCCc1ccc(cc1)O 271570a_203496583355_100000755846 [1,0,0,0,0,0|2,0,0]=3 1041 B10R1.1 NNCc1ccc(cc1)O 271570a_203496583355_100016993955 [1,0,0,0,0,0|3,0,0]=4 1042 B10R1.1 Nc1ccc(cc1)OCF 34a_100000185829_100015361967 [1,0,0,0,0,0|2,0,0]=3 1043 B10R1.1 Nc1ccc(cc1)SCF 62a_100000185761_100015361967 [1,0,0,0,0,0|2,1,0]=4 1044 B10R1.1 Nc1ccc(cc1)SCF 62a_100015361967_100000185761 [1,0,0,0,0,0|2,1,0]=4 1045 B10R1.1 Nc1ccc(cn1)OCF 34a_100015188713_100015361967 [1,0,0,0,0,0|3,0,0]=4 1046 B10R1.1 Nc1ccc(cn1)OCF 7a_100015188713_100015361967 [1,0,0,0,0,0|3,0,0]=4 1047 B10R1.1 Nc1ccc(nc1)OCF 34a_100000729260_100015361967 [1,0,0,0,0,0|3,0,0]=4 1048 B10R1.1 O=CCc1ccc(cc1)O 271570a_203496583355_100011361690 [1,0,0,0,0,0|1,0,2]=4 1049 B10R1.1 O=c1ccc(c[nH]1)OCF 34a_100000075641_100015361967 [1,0,0,0,0,0|3,0,0]=4 1050 B10R1.1 OCCc1ccc(cc1)O 271570a_203496583355_100000766406 [1,0,0,0,0,0|1,0,0]=2 1051 B10R1.1 OCCc1ccc(cn1)O 271570a_203496583355_100012357577 [1,0,0,0,0,0|2,0,0]=3 1052 B10R1.1 OCCc1ccc(nc1)O 271570a_203496583355_100009880866 [1,0,0,0,0,0|2,0,0]=3 1053 B10R1.1 Oc1ccc(cc1)NCF 34a_100000185829_100015361967 [1,0,0,0,0,0|3,0,0]=4 1054 B10R1.1 Oc1ccc(cc1)SCF 62a_100015361967_100000185759 [1,0,0,0,0,0|2,1,0]=4 1055 B10R1.1 [13CH3]NCc1ccc(cc1)Br 2230a_100000174875_200025704644 [1,0,0,0,0,0|2,1,0]=4 1056 B10R1.1 [13CH3]NCc1ccc(cc1)Br 34a_100000174875_200025704644 [1,0,0,0,0,0|2,1,0]=4 1057 B10R1.1 [13CH3]NCc1ccc(cc1)Cl 2230a_100000174871_200025704644 [1,0,0,0,0,0|2,0,0]=3 1058 B10R1.1 [13CH3]NCc1ccc(cc1)Cl 34a_100000174871_200025704644 [1,0,0,0,0,0|2,0,0]=3 1059 B10R1.1 [13CH3]NCc1ccc(cc1)F 2230a_100000174882_200025704644 [1,0,0,0,0,0|2,1,0]=4 1060 B10R1.1 [13CH3]NCc1ccc(cc1)F 34a_100000174882_200025704644 [1,0,0,0,0,0|2,1,0]=4 1061 B10R1.1 [13CH3]NCc1ccc(cc1)I 2230a_100016989417_200025704644 [1,0,0,0,0,0|2,1,0]=4 1062 B10R1.1 [13CH3]NCc1ccc(cc1)I 34a_100016989417_200025704644 [1,0,0,0,0,0|2,1,0]=4 1063 B10R1.1 [13CH3]NCc1ccc(cc1)O 34a_100000185549_200025704644 [1,0,0,0,0,0|3,0,0]=4 1064 B10R1.1 [13CH3]NCc1ccc(cn1)Cl 34a_100000697193_200025704644 [1,0,0,0,0,0|3,0,0]=4 1065 B10R1.1 [13CH3]NCc1ccc(nc1)Cl 2230a_100000735879_200025704644 [1,0,0,0,0,0|3,0,0]=4 1066 B10R1.1 [13CH3]NCc1ccc(nc1)Cl 34a_100000735879_200025704644 [1,0,0,0,0,0|3,0,0]=4 1067 B10R1.1 [13CH3]OCc1ccc(cc1)Br 34a_100000695286_200025704644 [1,0,0,0,0,0|2,1,0]=4 1068 B10R1.1 [13CH3]OCc1ccc(cc1)Cl 34a_100000211118_200025704644 [1,0,0,0,0,0|2,0,0]=3 1069 B10R1.1 [13CH3]OCc1ccc(cc1)Cl 7a_100000211118_200025704644 [1,0,0,0,0,0|2,0,0]=3 1070 B10R1.1 [13CH3]OCc1ccc(cc1)F 34a_100000210977_200025704644 [1,0,0,0,0,0|2,1,0]=4 1071 B10R1.1 [13CH3]OCc1ccc(cc1)F 7a_100000210977_200025704644 [1,0,0,0,0,0|2,1,0]=4 1072 B10R1.1 [13CH3]OCc1ccc(cc1)I 34a_100000690907_200025704644 [1,0,0,0,0,0|2,1,0]=4 1073 B10R1.1 [13CH3]OCc1ccc(cc1)I 7a_100000690907_200025704644 [1,0,0,0,0,0|2,1,0]=4 1074 B10R1.1 [13CH3]OCc1ccc(cc1)N 34a_100011215238_200025704644 [1,0,0,0,0,0|3,0,0]=4 1075 B10R1.1 [13CH3]OCc1ccc(cn1)Cl 34a_100000703999_200025704644 [1,0,0,0,0,0|3,0,0]=4 1076 B10R1.1 [13CH3]OCc1ccc(nc1)Cl 34a_100000755211_200025704644 [1,0,0,0,0,0|3,0,0]=4 1077 B10R1.1 [13CH3]OCc1ccc(nc1)Cl 7a_100000755211_200025704644 [1,0,0,0,0,0|3,0,0]=4 1078 B10R1.1 [13CH3]SCc1ccc(cc1)Br 62a_100000189115_200025704644 [1,0,0,0,0,0|2,1,0]=4 1079 B10R1.1 [13CH3]SCc1ccc(cc1)Br 62a_200025704644_100000189115 [1,0,0,0,0,0|2,1,0]=4 1080 B10R1.1 [13CH3]SCc1ccc(cc1)Cl 62a_100000187161_200025704644 [1,0,0,0,0,0|2,0,0]=3 1081 B10R1.1 [13CH3]SCc1ccc(cc1)Cl 62a_200025704644_100000187161 [1,0,0,0,0,0|2,0,0]=3 1082 B10R1.1 [13CH3]SCc1ccc(cc1)F 62a_100000198546_200025704644 [1,0,0,0,0,0|2,1,0]=4 1083 B10R1.1 [13CH3]SCc1ccc(cc1)F 62a_200025704644_100000187164 [1,0,0,0,0,0|2,1,0]=4 1084 B10R1.1 [13CH3]SCc1ccc(cc1)I 62a_100000189116_200025704644 [1,0,0,0,0,0|2,1,0]=4 1085 B10R1.1 [13CH3]SCc1ccc(cc1)I 62a_200025704644_100000189116 [1,0,0,0,0,0|2,1,0]=4 1086 B10R1.1 [13CH3]SCc1ccc(cn1)Cl 62a_100012066911_200025704644 [1,0,0,0,0,0|3,0,0]=4 1087 B10R1.1 [13CH3]SCc1ccc(cn1)Cl 62a_200025704644_100000697101 [1,0,0,0,0,0|3,0,0]=4 1088 B10R1.1 [13CH3]SCc1ccc(nc1)Cl 62a_100000735431_200025704644 [1,0,0,0,0,0|3,0,0]=4 1089 B10R1.1 [13CH3]SCc1ccc(nc1)Cl 62a_200025704644_100000735431 [1,0,0,0,0,0|3,0,0]=4 1090 B10R1.17 C#CCNc1ccccc1 34a_100000106764_100000184674 [1,0,0,0,0,0|2,0,1]=4 1091 B10R1.17 C#CCOc1ccccc1 34a_100000210340_100000184674 [1,0,0,0,0,0|1,0,1]=3 1092 B10R1.17 C#CCOc1ccccc1 7a_100000210340_100000038162 [1,0,0,0,0,0|1,0,1]=3 1093 B10R1.17 C#CCOc1cccnc1 34a_100000210849_100000184674 [1,0,0,0,0,0|2,0,1]=4 1094 B10R1.17 C#CCOc1cccnc1 7a_100000210849_100000038162 [1,0,0,0,0,0|2,0,1]=4 1095 B10R1.17 C#CCOc1ccncc1 34a_100000212176_100000184674 [1,0,0,0,0,0|2,0,1]=4 1096 B10R1.17 C#CCSc1ccccc1 62a_100000038162_100000041952 [1,0,0,0,0,0|1,1,1]=4 1097 B10R1.17 C=CCNc1ccccc1 34a_100000106764_100015514636 [1,0,0,0,0,0|2,0,1]=4 1098 B10R1.17 C=CCOc1ccccc1 34a_100000210340_100015514636 [1,0,0,0,0,0|1,0,1]=3 1099 B10R1.17 C=CCOc1ccccc1 7a_100000210340_100015514636 [1,0,0,0,0,0|1,0,1]=3 1100 B10R1.17 C=CCOc1cccnc1 34a_100000210849_100015514636 [1,0,0,0,0,0|2,0,1]=4 1101 B10R1.17 C=CCOc1cccnc1 7a_100000210849_100015514636 [1,0,0,0,0,0|2,0,1]=4 1102 B10R1.17 C=CCOc1ccncc1 34a_100000212176_100015514636 [1,0,0,0,0,0|2,0,1]=4 1103 B10R1.17 C=CCSc1ccccc1 62a_100000210623_100000041952 [1,0,0,0,0,0|1,1,1]=4 1104 B10R1.17 C=CCSc1ccccc1 62a_100000719477_100000210623 [1,0,0,0,0,0|1,1,1]=4 1105 B10R1.17 CCCCc1ccccc1 271570a_100020621405_100000210277 [1,0,0,0,0,0|2,0,0]=3 1106 B10R1.17 CCCCc1ccccn1 271570a_100020621405_100011216584 [1,0,0,0,0,0|3,0,0]=4 1107 B10R1.17 CCCCc1cccnc1 271570a_100020621405_100000752921 [1,0,0,0,0,0|3,0,0]=4 1108 B10R1.17 CCCCc1ccncc1 271570a_100020621405_100000035832 [1,0,0,0,0,0|3,0,0]=4 1109 B10R1.17 CCCNc1ccccc1 34a_100000106764_100000210303 [1,0,0,0,0,0|2,0,0]=3 1110 B10R1.17 CCCOc1ccccc1 34a_100000210340_100000210303 [1,0,0,0,0,0|1,0,0]=2 1111 B10R1.17 CCCOc1ccccc1 7a_100000210340_100000210303 [1,0,0,0,0,0|1,0,0]=2 1112 B10R1.17 CCCOc1cccnc1 34a_100000210849_100000210303 [1,0,0,0,0,0|2,0,0]=3 1113 B10R1.17 CCCOc1cccnc1 7a_100000210849_100000210303 [1,0,0,0,0,0|2,0,0]=3 1114 B10R1.17 CCCOc1ccncc1 34a_100000212176_100000210303 [1,0,0,0,0,0|2,0,0]=3 1115 B10R1.17 CCCOc1ccnnc1 34a_100015204005_100000210303 [1,0,0,0,0,0|3,0,0]=4 1116 B10R1.17 CCCOc1cncnc1 7a_100000754086_100000210303 [1,0,0,0,0,0|3,0,0]=4 1117 B10R1.17 CCCSc1ccccc1 62a_100000210303_100000041952 [1,0,0,0,0,0|1,1,0]=3 1118 B10R1.17 CCCSc1ccccc1 62a_100000719477_100000210303 [1,0,0,0,0,0|1,1,0]=3 1119 B10R1.17 CCCSc1ccccn1 62a_100000210303_100011216584 [1,0,0,0,0,0|2,1,0]=4 1120 B10R1.17 CCCSc1ccccn1 62a_100011216584_100000210303 [1,0,0,0,0,0|2,1,0]=4 1121 B10R1.17 CCCSc1cccnc1 62a_100000210063_100000210303 [1,0,0,0,0,0|2,1,0]=4 1122 B10R1.17 CCCSc1cccnc1 62a_100000210303_100000210063 [1,0,0,0,0,0|2,1,0]=4 1123 B10R1.17 CCCSc1ccncc1 62a_100000210303_100000728582 [1,0,0,0,0,0|2,1,0]=4 1124 B10R1.17 CCCSc1ccncc1 62a_100000728582_100000210303 [1,0,0,0,0,0|2,1,0]=4 1125 B10R1.17 CCNCc1ccccc1 207a_100015525214_100015611070 [1,0,0,0,0,0|3,0,0]=4 1126 B10R1.17 CCNCc1ccccc1 2230a_100015324214_100000210202 [1,0,0,0,0,0|3,0,0]=4 1127 B10R1.17 CCNCc1ccccc1 2230a_100015525214_100015291786 [1,0,0,0,0,0|3,0,0]=4 1128 B10R1.17 CCNCc1ccccc1 270004a_100015525214_100015611070 [1,0,0,0,0,0|3,0,0]=4 1129 B10R1.17 CCNCc1ccccc1 34a_100015324214_100000210202 [1,0,0,0,0,0|3,0,0]=4 1130 B10R1.17 CCOCc1ccccc1 34a_100000210790_100000210202 [1,0,0,0,0,0|3,0,0]=4 1131 B10R1.17 CCOCc1ccccc1 34a_100121572206_100015291786 [1,0,0,0,0,0|3,0,0]=4 1132 B10R1.17 CCOCc1ccccc1 7a_100000210790_100000210202 [1,0,0,0,0,0|3,0,0]=4 1133 B10R1.17 CCSCc1ccccc1 62a_100000210202_100015291786 [1,0,0,0,0,0|3,0,0]=4 1134 B10R1.17 CCSCc1ccccc1 62a_100000211182_100000210202 [1,0,0,0,0,0|3,0,0]=4 1135 B10R1.17 CNCCc1ccccc1 2230a_100000106460_200000210301 [1,0,0,0,0,0|3,0,0]=4 1136 B10R1.17 CNCCc1ccccc1 2230a_106832991635_100000765856 [1,0,0,0,0,0|3,0,0]=4 1137 B10R1.17 CNCCc1ccccc1 34a_100000106460_200000210301 [1,0,0,0,0,0|3,0,0]=4 1138 B10R1.17 CNCCc1ccccc1 34a_100102657272_100000765856 [1,0,0,0,0,0|3,0,0]=4 1139 B10R1.17 CNCCc1ccccc1 7a_106832991635_100000765856 [1,0,0,0,0,0|3,0,0]=4 1140 B10R1.17 CNCSc1ccccc1 2230a_106832991635_100011218342 [1,0,0,0,0,0|2,1,0]=4 1141 B10R1.17 COCCc1ccccc1 34a_100000210268_200000210301 [1,0,0,0,0,0|3,0,0]=4 1142 B10R1.17 COCCc1ccccc1 34a_100138415774_100000765856 [1,0,0,0,0,0|3,0,0]=4 1143 B10R1.17 COCCc1ccccc1 7a_100000210268_200000210301 [1,0,0,0,0,0|3,0,0]=4 1144 B10R1.17 COCSc1ccccc1 62a_100000719477_100000766300 [1,0,0,0,0,0|2,1,0]=4 1145 B10R1.17 COCSc1ccccc1 62a_100000766300_100000041952 [1,0,0,0,0,0|2,1,0]=4 1146 B10R1.17 CSCCc1ccccc1 62a_100000765856_200000210301 [1,0,0,0,0,0|3,0,0]=4 1147 B10R1.17 CSCCc1ccccc1 62a_200000210301_100011218657 [1,0,0,0,0,0|3,0,0]=4 1148 B10R1.17 CSCNc1ccccc1 34a_100000106764_100011218213 [1,0,0,0,0,0|3,0,0]=4 1149 B10R1.17 CSCOc1ccccc1 34a_100000210340_100011218213 [1,0,0,0,0,0|2,0,0]=3 1150 B10R1.17 CSCOc1cccnc1 34a_100000210849_100011218213 [1,0,0,0,0,0|3,0,0]=4 1151 B10R1.17 CSCOc1ccncc1 34a_100000212176_100011218213 [1,0,0,0,0,0|3,0,0]=4 1152 B10R1.17 CSCSc1ccccc1 62a_100000719477_100011218213 [1,0,0,0,0,0|2,1,0]=4 1153 B10R1.17 CSCSc1ccccc1 62a_100011218213_100000041952 [1,0,0,0,0,0|2,1,0]=4 1154 B10R1.17 CSCSc1ccccc1 62a_100011218342_200000210301 [1,0,0,0,0,0|2,1,0]=4 1155 B10R1.17 CSCSc1ccccc1 62a_200000210301_100011218342 [1,0,0,0,0,0|2,1,0]=4 1156 B10R1.17 FCCNc1ccccc1 34a_100000106764_100011217306 [1,0,0,0,0,0|2,0,0]=3 1157 B10R1.17 FCCOc1ccccc1 34a_100000210340_100011217306 [1,0,0,0,0,0|1,0,0]=2 1158 B10R1.17 FCCOc1ccccc1 7a_100000210340_100011217306 [1,0,0,0,0,0|1,0,0]=2 1159 B10R1.17 FCCOc1cccnc1 34a_100000210849_100011217306 [1,0,0,0,0,0|2,0,0]=3 1160 B10R1.17 FCCOc1cccnc1 7a_100000210849_100011217306 [1,0,0,0,0,0|2,0,0]=3 1161 B10R1.17 FCCOc1ccncc1 34a_100000212176_100011217306 [1,0,0,0,0,0|2,0,0]=3 1162 B10R1.17 FCCOc1ccnnc1 34a_100015204005_100011217306 [1,0,0,0,0,0|3,0,0]=4 1163 B10R1.17 FCCOc1cncnc1 7a_100000754086_100011217306 [1,0,0,0,0,0|3,0,0]=4 1164 B10R1.17 FCCSc1ccccc1 62a_100000719477_100011217306 [1,0,0,0,0,0|1,1,0]=3 1165 B10R1.17 FCCSc1ccccc1 62a_100011217306_100000041952 [1,0,0,0,0,0|1,1,0]=3 1166 B10R1.17 FCCSc1ccccn1 62a_100011216584_100011217306 [1,0,0,0,0,0|2,1,0]=4 1167 B10R1.17 FCCSc1ccccn1 62a_100011217306_100011216584 [1,0,0,0,0,0|2,1,0]=4 1168 B10R1.17 FCCSc1cccnc1 62a_100000210063_100011217306 [1,0,0,0,0,0|2,1,0]=4 1169 B10R1.17 FCCSc1cccnc1 62a_100011217306_100000210063 [1,0,0,0,0,0|2,1,0]=4 1170 B10R1.17 FCCSc1ccncc1 62a_100000728582_100011217306 [1,0,0,0,0,0|2,1,0]=4 1171 B10R1.17 FCCSc1ccncc1 62a_100011217306_100000728582 [1,0,0,0,0,0|2,1,0]=4 1172 B10R1.17 FCNCc1ccccc1 34a_100015324214_100015361967 [1,0,0,0,0,0|3,0,0]=4 1173 B10R1.17 FCOCc1ccccc1 34a_100000210790_100015361967 [1,0,0,0,0,0|3,0,0]=4 1174 B10R1.17 FCOCc1ccccc1 7a_100000210790_100015361967 [1,0,0,0,0,0|3,0,0]=4 1175 B10R1.17 FCSCc1ccccc1 62a_100000211182_100015361967 [1,0,0,0,0,0|3,0,0]=4 1176 B10R1.17 FCSCc1ccccc1 62a_100015361967_100015291786 [1,0,0,0,0,0|3,0,0]=4 1177 B10R1.17 N#CCOc1ccccc1 7a_100000210340_100011215382 [1,0,0,0,0,0|1,0,1]=3 1178 B10R1.17 N#CCOc1cccnc1 7a_100000210849_100011215382 [1,0,0,0,0,0|2,0,1]=4 1179 B10R1.17 N#CCSc1ccccc1 62a_100000719477_100011215382 [1,0,0,0,0,0|1,1,1]=4 1180 B10R1.17 N#CCSc1ccccc1 62a_100011215382_100000041952 [1,0,0,0,0,0|1,1,1]=4 1181 B10R1.17 O=CCNc1ccccc1 34a_100000106764_200009817547 [1,0,0,0,0,0|1,0,2]=4 1182 B10R1.17 O=CCOc1ccccc1 34a_100000210340_200009817547 [1,0,0,0,0,0|0,0,2]=3 1183 B10R1.17 O=CCOc1ccccc1 7a_100000210340_200015260668 [1,0,0,0,0,0|0,0,2]=3 1184 B10R1.17 O=CCOc1cccnc1 34a_100000210849_200009817547 [1,0,0,0,0,0|1,0,2]=4 1185 B10R1.17 O=CCOc1cccnc1 7a_100000210849_200015260668 [1,0,0,0,0,0|1,0,2]=4 1186 B10R1.17 O=CCOc1ccncc1 34a_100000212176_200009817547 [1,0,0,0,0,0|1,0,2]=4 1187 B10R1.17 O=CCSc1ccccc1 62a_100000719477_200015260668 [1,0,0,0,0,0|0,1,2]=4 1188 B10R1.17 O=CCSc1ccccc1 62a_200015260668_100000041952 [1,0,0,0,0,0|0,1,2]=4 1189 B10R1.17 OCCNc1ccccc1 34a_100000106764_100000211926 [1,0,0,0,0,0|1,0,0]=2 1190 B10R1.17 OCCNc1cccnn1 27a_100000210304_100016991348 [1,0,0,0,0,0|3,0,0]=4 1191 B10R1.17 OCCNc1ccncn1 27a_100000210304_100000703185 [1,0,0,0,0,0|3,0,0]=4 1192 B10R1.17 OCCNc1cnccn1 27a_100000210304_100000211759 [1,0,0,0,0,0|3,0,0]=4 1193 B10R1.17 OCCNc1ncccn1 27a_100000210304_100000211032 [1,0,0,0,0,0|3,0,0]=4 1194 B10R1.17 OCCOc1ccccc1 34a_100000210340_100000211926 [1,0,0,0,0,0|0,0,0]=1 1195 B10R1.17 OCCOc1ccccc1 7a_100000210340_100000211926 [1,0,0,0,0,0|0,0,0]=1 1196 B10R1.17 OCCOc1cccnc1 34a_100000210849_100000211926 [1,0,0,0,0,0|1,0,0]=2 1197 B10R1.17 OCCOc1cccnc1 7a_100000210849_100000211926 [1,0,0,0,0,0|1,0,0]=2 1198 B10R1.17 OCCOc1ccncc1 34a_100000212176_100000211926 [1,0,0,0,0,0|1,0,0]=2 1199 B10R1.17 OCCOc1ccnnc1 34a_100015204005_100000211926 [1,0,0,0,0,0|2,0,0]=3 1200 B10R1.17 OCCOc1cncnc1 7a_100000754086_100000211926 [1,0,0,0,0,0|2,0,0]=3 1201 B10R1.17 OCCSc1ccccc1 62a_100000211926_100000041952 [1,0,0,0,0,0|0,1,0]=2 1202 B10R1.17 OCCSc1ccccc1 62a_100000719477_100000211926 [1,0,0,0,0,0|0,1,0]=2 1203 B10R1.17 OCCSc1ccccn1 62a_100000211926_100011216584 [1,0,0,0,0,0|1,1,0]=3 1204 B10R1.17 OCCSc1ccccn1 62a_100011216584_100000211926 [1,0,0,0,0,0|1,1,0]=3 1205 B10R1.17 OCCSc1cccnc1 62a_100000210063_100000211926 [1,0,0,0,0,0|1,1,0]=3 1206 B10R1.17 OCCSc1cccnc1 62a_100000211926_100000210063 [1,0,0,0,0,0|1,1,0]=3 1207 B10R1.17 OCCSc1cccnn1 62a_100000211926_100016991348 [1,0,0,0,0,0|2,1,0]=4 1208 B10R1.17 OCCSc1cccnn1 62a_100016991348_100000211926 [1,0,0,0,0,0|2,1,0]=4 1209 B10R1.17 OCCSc1ccncc1 62a_100000211926_100000728582 [1,0,0,0,0,0|1,1,0]=3 1210 B10R1.17 OCCSc1ccncc1 62a_100000728582_100000211926 [1,0,0,0,0,0|1,1,0]=3 1211 B10R1.17 OCCSc1ccncn1 62a_100000211926_100000703185 [1,0,0,0,0,0|2,1,0]=4 1212 B10R1.17 OCCSc1ccncn1 62a_100000703185_100000211926 [1,0,0,0,0,0|2,1,0]=4 1213 B10R1.17 OCCSc1ccnnc1 62a_100000211926_100000732662 [1,0,0,0,0,0|2,1,0]=4 1214 B10R1.17 OCCSc1ccnnc1 62a_100000732662_100000211926 [1,0,0,0,0,0|2,1,0]=4 1215 B10R1.17 OCCSc1cnccn1 62a_100000211759_100000211926 [1,0,0,0,0,0|2,1,0]=4 1216 B10R1.17 OCCSc1cnccn1 62a_100000211926_100000211759 [1,0,0,0,0,0|2,1,0]=4 1217 B10R1.17 OCCSc1cncnc1 62a_100000211926_100011206942 [1,0,0,0,0,0|2,1,0]=4 1218 B10R1.17 OCCSc1cncnc1 62a_100011206942_100000211926 [1,0,0,0,0,0|2,1,0]=4 1219 B10R1.17 OCCSc1ncccn1 62a_100000211032_100000211926 [1,0,0,0,0,0|2,1,0]=4 1220 B10R1.17 OCCSc1ncccn1 62a_100000211926_100000211032 [1,0,0,0,0,0|2,1,0]=4 1221 B10R1.17 [13CH3]NCCc1ccccc1 2230a_100000106460_200025704644 [1,0,0,0,0,0|3,0,0]=4 1222 B10R1.17 [13CH3]NCCc1ccccc1 34a_100000106460_200025704644 [1,0,0,0,0,0|3,0,0]=4 1223 B10R1.17 [13CH3]OCCc1ccccc1 34a_100000210268_200025704644 [1,0,0,0,0,0|3,0,0]=4 1224 B10R1.17 [13CH3]OCCc1ccccc1 7a_100000210268_200025704644 [1,0,0,0,0,0|3,0,0]=4 1225 B10R1.17 [13CH3]SCCc1ccccc1 62a_100000765856_200025704644 [1,0,0,0,0,0|3,0,0]=4 1226 B10R1.17 [13CH3]SCCc1ccccc1 62a_200025704644_100011218657 [1,0,0,0,0,0|3,0,0]=4 1227 B10R1.17 [13CH3]SCSc1ccccc1 62a_100011218342_200025704644 [1,0,0,0,0,0|2,1,0]=4 1228 B10R1.17 [13CH3]SCSc1ccccc1 62a_200025704644_100011218342 [1,0,0,0,0,0|2,1,0]=4 1229 B12R1.1 BrCCOCc1ccc(cc1)Br 34a_100000211926_100000189115 [0,1,0,0,0,0|1,1,0]=3 1230 B12R1.1 BrCCOCc1ccc(cc1)I 34a_100000211926_100000189116 [0,1,0,0,0,0|1,1,0]=3 1231 B12R1.1 BrCCOCc1ccc(cn1)Br 34a_100000211926_100000702658 [0,1,0,0,0,0|2,1,0]=4 1232 B12R1.1 BrCCOCc1ccc(nc1)Br 34a_100000211926_100009831999 [0,1,0,0,0,0|2,1,0]=4 1233 B12R1.1 C#CCCNc1ccc(cc1)Br 2230a_100000210018_100000688953 [0,1,0,0,0,0|2,1,0]=4 1234 B12R1.1 C#CCCNc1ccc(cc1)Br 34a_100000210018_100000688953 [0,1,0,0,0,0|2,1,0]=4 1235 B12R1.1 C#CCCNc1ccc(cc1)C 34a_100000124888_100000688953 [0,1,0,0,0,0|3,0,0]=4 1236 B12R1.1 C#CCCNc1ccc(cc1)Cl 2230a_100000210052_100000688953 [0,1,0,0,0,0|2,0,0]=3 1237 B12R1.1 C#CCCNc1ccc(cc1)Cl 34a_100000210052_100000688953 [0,1,0,0,0,0|2,0,0]=3 1238 B12R1.1 C#CCCNc1ccc(cc1)F 34a_100000185862_100000688953 [0,1,0,0,0,0|2,1,0]=4 1239 B12R1.1 C#CCCNc1ccc(cc1)I 34a_100000185761_100000688953 [0,1,0,0,0,0|2,1,0]=4 1240 B12R1.1 C#CCCNc1ccc(cc1)O 34a_100000185829_100000688953 [0,1,0,0,0,0|3,0,0]=4 1241 B12R1.1 C#CCCOc1ccc(=O)[nH]c1 34a_100000075641_100000688953 [0,1,0,0,0,0|3,0,0]=4 1242 B12R1.1 C#CCCOc1ccc(cc1)Br 34a_100000185759_100000688953 [0,1,0,0,0,0|1,1,0]=3 1243 B12R1.1 C#CCCOc1ccc(cc1)Br 7a_100000185759_100000688953 [0,1,0,0,0,0|1,1,0]=3 1244 B12R1.1 C#CCCOc1ccc(cc1)C 34a_100000210336_100000688953 [0,1,0,0,0,0|2,0,0]=3 1245 B12R1.1 C#CCCOc1ccc(cc1)C 7a_100000210336_100000688953 [0,1,0,0,0,0|2,0,0]=3 1246 B12R1.1 C#CCCOc1ccc(cc1)Cl 34a_100000210216_100000688953 [0,1,0,0,0,0|1,0,0]=2 1247 B12R1.1 C#CCCOc1ccc(cc1)Cl 7a_100000210216_100000688953 [0,1,0,0,0,0|1,0,0]=2 1248 B12R1.1 C#CCCOc1ccc(cc1)F 34a_100000210339_100000688953 [0,1,0,0,0,0|1,1,0]=3 1249 B12R1.1 C#CCCOc1ccc(cc1)I 34a_100000212066_100000688953 [0,1,0,0,0,0|1,1,0]=3 1250 B12R1.1 C#CCCOc1ccc(cc1)I 7a_100000212066_100000688953 [0,1,0,0,0,0|1,1,0]=3 1251 B12R1.1 C#CCCOc1ccc(cc1)N 34a_100000185829_100000688953 [0,1,0,0,0,0|2,0,0]=3 1252 B12R1.1 C#CCCOc1ccc(cn1)C 34a_100000759353_100000688953 [0,1,0,0,0,0|3,0,0]=4 1253 B12R1.1 C#CCCOc1ccc(cn1)Cl 34a_100011215309_100000688953 [0,1,0,0,0,0|2,0,0]=3 1254 B12R1.1 C#CCCOc1ccc(cn1)F 34a_100000742473_100000688953 [0,1,0,0,0,0|2,1,0]=4 1255 B12R1.1 C#CCCOc1ccc(cn1)N 34a_100000729260_100000688953 [0,1,0,0,0,0|3,0,0]=4 1256 B12R1.1 C#CCCOc1ccc(nc1)Br 34a_100000685995_100000688953 [0,1,0,0,0,0|2,1,0]=4 1257 B12R1.1 C#CCCOc1ccc(nc1)Br 7a_100000685995_100000688953 [0,1,0,0,0,0|2,1,0]=4 1258 B12R1.1 C#CCCOc1ccc(nc1)C 34a_100000745506_100000688953 [0,1,0,0,0,0|3,0,0]=4 1259 B12R1.1 C#CCCOc1ccc(nc1)C 7a_100000745506_100000688953 [0,1,0,0,0,0|3,0,0]=4 1260 B12R1.1 C#CCCOc1ccc(nc1)Cl 34a_100000744096_100000688953 [0,1,0,0,0,0|2,0,0]=3 1261 B12R1.1 C#CCCOc1ccc(nc1)Cl 7a_100000744096_100000688953 [0,1,0,0,0,0|2,0,0]=3 1262 B12R1.1 C#CCCOc1ccc(nc1)F 34a_100000688820_100000688953 [0,1,0,0,0,0|2,1,0]=4 1263 B12R1.1 C#CCCOc1ccc(nc1)F 7a_100000688820_100000688953 [0,1,0,0,0,0|2,1,0]=4 1264 B12R1.1 C#CCCOc1ccc(nc1)I 34a_100000687607_100000688953 [0,1,0,0,0,0|2,1,0]=4 1265 B12R1.1 C#CCCOc1ccc(nc1)I 7a_100000687607_100000688953 [0,1,0,0,0,0|2,1,0]=4 1266 B12R1.1 C#CCCOc1ccc(nc1)N 34a_100015188713_100000688953 [0,1,0,0,0,0|3,0,0]=4 1267 B12R1.1 C#CCCOc1ccc(nc1)N 7a_100015188713_100000688953 [0,1,0,0,0,0|3,0,0]=4 1268 B12R1.1 C#CCCOc1cnc(cn1)Cl 34a_100015839800_100000688953 [0,1,0,0,0,0|3,0,0]=4 1269 B12R1.1 C#CCCOc1cnc(nc1)Cl 34a_100000092845_100000688953 [0,1,0,0,0,0|3,0,0]=4 1270 B12R1.1 C#CCCOc1cnc(nc1)Cl 7a_100000092845_100000688953 [0,1,0,0,0,0|3,0,0]=4 1271 B12R1.1 C#CCCSc1ccc(cc1)Br 62a_100000688953_100000752885 [0,1,0,0,0,0|1,2,0]=4 1272 B12R1.1 C#CCCSc1ccc(cc1)Br 62a_100000752885_100000688953 [0,1,0,0,0,0|1,2,0]=4 1273 B12R1.1 C#CCCSc1ccc(cc1)C 62a_100000186775_100000688953 [0,1,0,0,0,0|2,1,0]=4 1274 B12R1.1 C#CCCSc1ccc(cc1)C 62a_100000688953_100000186775 [0,1,0,0,0,0|2,1,0]=4 1275 B12R1.1 C#CCCSc1ccc(cc1)Cl 62a_100000688953_100000755918 [0,1,0,0,0,0|1,1,0]=3 1276 B12R1.1 C#CCCSc1ccc(cc1)Cl 62a_100000755918_100000688953 [0,1,0,0,0,0|1,1,0]=3 1277 B12R1.1 C#CCCSc1ccc(cc1)F 62a_100000211213_100000688953 [0,1,0,0,0,0|1,2,0]=4 1278 B12R1.1 C#CCCSc1ccc(cc1)F 62a_100000688953_100000211213 [0,1,0,0,0,0|1,2,0]=4 1279 B12R1.1 C#CCCSc1ccc(cc1)N 62a_100000185761_100000688953 [0,1,0,0,0,0|2,1,0]=4 1280 B12R1.1 C#CCCSc1ccc(cc1)N 62a_100000688953_100000185761 [0,1,0,0,0,0|2,1,0]=4 1281 B12R1.1 C#CCCSc1ccc(cc1)O 62a_100000688953_100000185759 [0,1,0,0,0,0|2,1,0]=4 1282 B12R1.1 C#CCCSc1ccc(cn1)Cl 62a_100000688953_100011356976 [0,1,0,0,0,0|2,1,0]=4 1283 B12R1.1 C#CCCSc1ccc(cn1)Cl 62a_100011356976_100000688953 [0,1,0,0,0,0|2,1,0]=4 1284 B12R1.1 C#CCCSc1ccc(nc1)Cl 62a_100000034144_100000688953 [0,1,0,0,0,0|2,1,0]=4 1285 B12R1.1 C#CCCSc1ccc(nc1)Cl 62a_100000688953_100000034144 [0,1,0,0,0,0|2,1,0]=4 1286 B12R1.1 C#CCNCc1ccc(cc1)Cl 2230a_100000174871_100000038162 [0,1,0,0,0,0|2,0,1]=4 1287 B12R1.1 C#CCNCc1ccc(cc1)Cl 34a_100000174871_100000184674 [0,1,0,0,0,0|2,0,1]=4 1288 B12R1.1 C#CCNCc1ccc(cc1)Cl 34a_100000212058_100000694040 [0,1,0,0,0,0|2,0,1]=4 1289 B12R1.1 C#CCOCc1ccc(cc1)Br 34a_100000210247_100000189115 [0,1,0,0,0,0|1,1,1]=4 1290 B12R1.1 C#CCOCc1ccc(cc1)Br 34a_100000695286_100000184674 [0,1,0,0,0,0|1,1,1]=4 1291 B12R1.1 C#CCOCc1ccc(cc1)C 34a_100000210247_100000210814 [0,1,0,0,0,0|2,0,1]=4 1292 B12R1.1 C#CCOCc1ccc(cc1)C 34a_100011215236_100000184674 [0,1,0,0,0,0|2,0,1]=4 1293 B12R1.1 C#CCOCc1ccc(cc1)C 7a_100011215236_100000038162 [0,1,0,0,0,0|2,0,1]=4 1294 B12R1.1 C#CCOCc1ccc(cc1)Cl 34a_100000210247_100000694040 [0,1,0,0,0,0|1,0,1]=3 1295 B12R1.1 C#CCOCc1ccc(cc1)Cl 34a_100000211118_100000184674 [0,1,0,0,0,0|1,0,1]=3 1296 B12R1.1 C#CCOCc1ccc(cc1)Cl 7a_100000211118_100000038162 [0,1,0,0,0,0|1,0,1]=3 1297 B12R1.1 C#CCOCc1ccc(cc1)F 34a_100000210247_100000198546 [0,1,0,0,0,0|1,1,1]=4 1298 B12R1.1 C#CCOCc1ccc(cc1)F 34a_100000210977_100000184674 [0,1,0,0,0,0|1,1,1]=4 1299 B12R1.1 C#CCOCc1ccc(cc1)F 7a_100000210977_100000038162 [0,1,0,0,0,0|1,1,1]=4 1300 B12R1.1 C#CCOCc1ccc(cc1)I 34a_100000210247_100000189116 [0,1,0,0,0,0|1,1,1]=4 1301 B12R1.1 C#CCOCc1ccc(cc1)I 34a_100000690907_100000184674 [0,1,0,0,0,0|1,1,1]=4 1302 B12R1.1 C#CCOCc1ccc(cc1)I 7a_100000690907_100000038162 [0,1,0,0,0,0|1,1,1]=4 1303 B12R1.1 C#CCOCc1ccc(cc1)N 34a_100011215238_100000184674 [0,1,0,0,0,0|2,0,1]=4 1304 B12R1.1 C#CCOCc1ccc(cn1)Cl 34a_100000210247_100012066911 [0,1,0,0,0,0|2,0,1]=4 1305 B12R1.1 C#CCOCc1ccc(cn1)Cl 34a_100000703999_100000184674 [0,1,0,0,0,0|2,0,1]=4 1306 B12R1.1 C#CCOCc1ccc(nc1)Cl 34a_100000210247_100000735431 [0,1,0,0,0,0|2,0,1]=4 1307 B12R1.1 C#CCOCc1ccc(nc1)Cl 34a_100000755211_100000184674 [0,1,0,0,0,0|2,0,1]=4 1308 B12R1.1 C#CCOCc1ccc(nc1)Cl 7a_100000755211_100000038162 [0,1,0,0,0,0|2,0,1]=4 1309 B12R1.1 C#CCSCc1ccc(cc1)Cl 62a_100000038162_100000187161 [0,1,0,0,0,0|1,1,1]=4 1310 B12R1.1 C/C=C/CNc1ccc(cc1)Cl 34a_100000210052_100102629194 [0,1,0,0,0,0|2,0,1]=4 1311 B12R1.1 C/C=C/COc1ccc(cc1)Br 34a_100000185759_100102629194 [0,1,0,0,0,0|1,1,1]=4 1312 B12R1.1 C/C=C/COc1ccc(cc1)Br 7a_100000185759_100102629194 [0,1,0,0,0,0|1,1,1]=4 1313 B12R1.1 C/C=C/COc1ccc(cc1)C 34a_100000210336_100102629194 [0,1,0,0,0,0|2,0,1]=4 1314 B12R1.1 C/C=C/COc1ccc(cc1)C 7a_100000210336_100102629194 [0,1,0,0,0,0|2,0,1]=4 1315 B12R1.1 C/C=C/COc1ccc(cc1)Cl 34a_100000210216_100102629194 [0,1,0,0,0,0|1,0,1]=3 1316 B12R1.1 C/C=C/COc1ccc(cc1)Cl 7a_100000210216_100102629194 [0,1,0,0,0,0|1,0,1]=3 1317 B12R1.1 C/C=C/COc1ccc(cc1)F 34a_100000210339_100102629194 [0,1,0,0,0,0|1,1,1]=4 1318 B12R1.1 C/C=C/COc1ccc(cc1)I 34a_100000212066_100102629194 [0,1,0,0,0,0|1,1,1]=4 1319 B12R1.1 C/C=C/COc1ccc(cc1)I 7a_100000212066_100102629194 [0,1,0,0,0,0|1,1,1]=4 1320 B12R1.1 C/C=C/COc1ccc(cc1)N 34a_100000185829_100102629194 [0,1,0,0,0,0|2,0,1]=4 1321 B12R1.1 C/C=C/COc1ccc(cn1)Cl 34a_100011215309_100102629194 [0,1,0,0,0,0|2,0,1]=4 1322 B12R1.1 C/C=C/COc1ccc(nc1)Cl 34a_100000744096_100102629194 [0,1,0,0,0,0|2,0,1]=4 1323 B12R1.1 C/C=C/COc1ccc(nc1)Cl 7a_100000744096_100102629194 [0,1,0,0,0,0|2,0,1]=4 1324 B12R1.1 C/C=C/CSc1ccc(cc1)Cl 62a_100000755918_100102629194 [0,1,0,0,0,0|1,1,1]=4 1325 B12R1.1 C/C=C/CSc1ccc(cc1)Cl 62a_100102629194_100000755918 [0,1,0,0,0,0|1,1,1]=4 1326 B12R1.1 C=CCCNc1ccc(cc1)Br 2230a_100000210018_100000754431 [0,1,0,0,0,0|2,1,0]=4 1327 B12R1.1 C=CCCNc1ccc(cc1)Br 34a_100000210018_100000754431 [0,1,0,0,0,0|2,1,0]=4 1328 B12R1.1 C=CCCNc1ccc(cc1)C 34a_100000124888_100000754431 [0,1,0,0,0,0|3,0,0]=4 1329 B12R1.1 C=CCCNc1ccc(cc1)Cl 2230a_100000210052_100000754431 [0,1,0,0,0,0|2,0,0]=3 1330 B12R1.1 C=CCCNc1ccc(cc1)Cl 34a_100000210052_100000754431 [0,1,0,0,0,0|2,0,0]=3 1331 B12R1.1 C=CCCNc1ccc(cc1)F 34a_100000185862_100000754431 [0,1,0,0,0,0|2,1,0]=4 1332 B12R1.1 C=CCCNc1ccc(cc1)I 34a_100000185761_100000754431 [0,1,0,0,0,0|2,1,0]=4 1333 B12R1.1 C=CCCNc1ccc(cc1)O 34a_100000185829_100000754431 [0,1,0,0,0,0|3,0,0]=4 1334 B12R1.1 C=CCCOc1ccc(=O)[nH]c1 34a_100000075641_100000754431 [0,1,0,0,0,0|3,0,0]=4 1335 B12R1.1 C=CCCOc1ccc(cc1)Br 34a_100000185759_100000754431 [0,1,0,0,0,0|1,1,0]=3 1336 B12R1.1 C=CCCOc1ccc(cc1)Br 7a_100000185759_100000754431 [0,1,0,0,0,0|1,1,0]=3 1337 B12R1.1 C=CCCOc1ccc(cc1)C 34a_100000210336_100000754431 [0,1,0,0,0,0|2,0,0]=3 1338 B12R1.1 C=CCCOc1ccc(cc1)C 7a_100000210336_100000754431 [0,1,0,0,0,0|2,0,0]=3 1339 B12R1.1 C=CCCOc1ccc(cc1)Cl 34a_100000210216_100000754431 [0,1,0,0,0,0|1,0,0]=2 1340 B12R1.1 C=CCCOc1ccc(cc1)Cl 7a_100000210216_100000754431 [0,1,0,0,0,0|1,0,0]=2 1341 B12R1.1 C=CCCOc1ccc(cc1)F 34a_100000210339_100000754431 [0,1,0,0,0,0|1,1,0]=3 1342 B12R1.1 C=CCCOc1ccc(cc1)I 34a_100000212066_100000754431 [0,1,0,0,0,0|1,1,0]=3 1343 B12R1.1 C=CCCOc1ccc(cc1)I 7a_100000212066_100000754431 [0,1,0,0,0,0|1,1,0]=3 1344 B12R1.1 C=CCCOc1ccc(cc1)N 34a_100000185829_100000754431 [0,1,0,0,0,0|2,0,0]=3 1345 B12R1.1 C=CCCOc1ccc(cc1)O 271570a_203496583355_100012049633 [0,1,0,0,0,0|2,0,0]=3 1346 B12R1.1 C=CCCOc1ccc(cn1)C 34a_100000759353_100000754431 [0,1,0,0,0,0|3,0,0]=4 1347 B12R1.1 C=CCCOc1ccc(cn1)Cl 34a_100011215309_100000754431 [0,1,0,0,0,0|2,0,0]=3 1348 B12R1.1 C=CCCOc1ccc(cn1)F 34a_100000742473_100000754431 [0,1,0,0,0,0|2,1,0]=4 1349 B12R1.1 C=CCCOc1ccc(cn1)N 34a_100000729260_100000754431 [0,1,0,0,0,0|3,0,0]=4 1350 B12R1.1 C=CCCOc1ccc(nc1)Br 34a_100000685995_100000754431 [0,1,0,0,0,0|2,1,0]=4 1351 B12R1.1 C=CCCOc1ccc(nc1)Br 7a_100000685995_100000754431 [0,1,0,0,0,0|2,1,0]=4 1352 B12R1.1 C=CCCOc1ccc(nc1)C 34a_100000745506_100000754431 [0,1,0,0,0,0|3,0,0]=4 1353 B12R1.1 C=CCCOc1ccc(nc1)C 7a_100000745506_100000754431 [0,1,0,0,0,0|3,0,0]=4 1354 B12R1.1 C=CCCOc1ccc(nc1)Cl 34a_100000744096_100000754431 [0,1,0,0,0,0|2,0,0]=3 1355 B12R1.1 C=CCCOc1ccc(nc1)Cl 7a_100000744096_100000754431 [0,1,0,0,0,0|2,0,0]=3 1356 B12R1.1 C=CCCOc1ccc(nc1)F 34a_100000688820_100000754431 [0,1,0,0,0,0|2,1,0]=4 1357 B12R1.1 C=CCCOc1ccc(nc1)F 7a_100000688820_100000754431 [0,1,0,0,0,0|2,1,0]=4 1358 B12R1.1 C=CCCOc1ccc(nc1)I 34a_100000687607_100000754431 [0,1,0,0,0,0|2,1,0]=4 1359 B12R1.1 C=CCCOc1ccc(nc1)I 7a_100000687607_100000754431 [0,1,0,0,0,0|2,1,0]=4 1360 B12R1.1 C=CCCOc1ccc(nc1)N 34a_100015188713_100000754431 [0,1,0,0,0,0|3,0,0]=4 1361 B12R1.1 C=CCCOc1ccc(nc1)N 7a_100015188713_100000754431 [0,1,0,0,0,0|3,0,0]=4 1362 B12R1.1 C=CCCOc1cnc(cn1)Cl 34a_100015839800_100000754431 [0,1,0,0,0,0|3,0,0]=4 1363 B12R1.1 C=CCCOc1cnc(nc1)Cl 34a_100000092845_100000754431 [0,1,0,0,0,0|3,0,0]=4 1364 B12R1.1 C=CCCOc1cnc(nc1)Cl 7a_100000092845_100000754431 [0,1,0,0,0,0|3,0,0]=4 1365 B12R1.1 C=CCCSc1ccc(cc1)Br 62a_100000752885_100000754431 [0,1,0,0,0,0|1,2,0]=4 1366 B12R1.1 C=CCCSc1ccc(cc1)Br 62a_100000754431_100000752885 [0,1,0,0,0,0|1,2,0]=4 1367 B12R1.1 C=CCCSc1ccc(cc1)C 62a_100000186775_100000754431 [0,1,0,0,0,0|2,1,0]=4 1368 B12R1.1 C=CCCSc1ccc(cc1)C 62a_100000754431_100000186775 [0,1,0,0,0,0|2,1,0]=4 1369 B12R1.1 C=CCCSc1ccc(cc1)Cl 62a_100000754431_100000755918 [0,1,0,0,0,0|1,1,0]=3 1370 B12R1.1 C=CCCSc1ccc(cc1)Cl 62a_100000755918_100000754431 [0,1,0,0,0,0|1,1,0]=3 1371 B12R1.1 C=CCCSc1ccc(cc1)F 62a_100000211213_100000754431 [0,1,0,0,0,0|1,2,0]=4 1372 B12R1.1 C=CCCSc1ccc(cc1)F 62a_100000754431_100000211213 [0,1,0,0,0,0|1,2,0]=4 1373 B12R1.1 C=CCCSc1ccc(cc1)N 62a_100000185761_100000754431 [0,1,0,0,0,0|2,1,0]=4 1374 B12R1.1 C=CCCSc1ccc(cc1)N 62a_100000754431_100000185761 [0,1,0,0,0,0|2,1,0]=4 1375 B12R1.1 C=CCCSc1ccc(cc1)O 62a_100000754431_100000185759 [0,1,0,0,0,0|2,1,0]=4 1376 B12R1.1 C=CCCSc1ccc(cn1)Cl 62a_100000754431_100011356976 [0,1,0,0,0,0|2,1,0]=4 1377 B12R1.1 C=CCCSc1ccc(cn1)Cl 62a_100011356976_100000754431 [0,1,0,0,0,0|2,1,0]=4 1378 B12R1.1 C=CCCSc1ccc(nc1)Cl 62a_100000034144_100000754431 [0,1,0,0,0,0|2,1,0]=4 1379 B12R1.1 C=CCCSc1ccc(nc1)Cl 62a_100000754431_100000034144 [0,1,0,0,0,0|2,1,0]=4 1380 B12R1.1 C=CCNCc1ccc(cc1)Cl 2230a_100000174871_100000210623 [0,1,0,0,0,0|2,0,1]=4 1381 B12R1.1 C=CCNCc1ccc(cc1)Cl 2230a_100020586998_100000694040 [0,1,0,0,0,0|2,0,1]=4 1382 B12R1.1 C=CCNCc1ccc(cc1)Cl 270004a_100020586998_100000189385 [0,1,0,0,0,0|2,0,1]=4 1383 B12R1.1 C=CCNCc1ccc(cc1)Cl 34a_100000174871_100015514636 [0,1,0,0,0,0|2,0,1]=4 1384 B12R1.1 C=CCOCc1ccc(cc1)Br 34a_100000695286_100015514636 [0,1,0,0,0,0|1,1,1]=4 1385 B12R1.1 C=CCOCc1ccc(cc1)Br 34a_200000210373_100000189115 [0,1,0,0,0,0|1,1,1]=4 1386 B12R1.1 C=CCOCc1ccc(cc1)C 34a_100011215236_100015514636 [0,1,0,0,0,0|2,0,1]=4 1387 B12R1.1 C=CCOCc1ccc(cc1)C 34a_200000210373_100000210814 [0,1,0,0,0,0|2,0,1]=4 1388 B12R1.1 C=CCOCc1ccc(cc1)C 7a_100011215236_100015514636 [0,1,0,0,0,0|2,0,1]=4 1389 B12R1.1 C=CCOCc1ccc(cc1)Cl 34a_100000211118_100015514636 [0,1,0,0,0,0|1,0,1]=3 1390 B12R1.1 C=CCOCc1ccc(cc1)Cl 34a_200000210373_100000694040 [0,1,0,0,0,0|1,0,1]=3 1391 B12R1.1 C=CCOCc1ccc(cc1)Cl 7a_100000211118_100015514636 [0,1,0,0,0,0|1,0,1]=3 1392 B12R1.1 C=CCOCc1ccc(cc1)F 34a_100000210977_100015514636 [0,1,0,0,0,0|1,1,1]=4 1393 B12R1.1 C=CCOCc1ccc(cc1)F 34a_200000210373_100000198546 [0,1,0,0,0,0|1,1,1]=4 1394 B12R1.1 C=CCOCc1ccc(cc1)F 7a_100000210977_100015514636 [0,1,0,0,0,0|1,1,1]=4 1395 B12R1.1 C=CCOCc1ccc(cc1)I 34a_100000690907_100015514636 [0,1,0,0,0,0|1,1,1]=4 1396 B12R1.1 C=CCOCc1ccc(cc1)I 34a_200000210373_100000189116 [0,1,0,0,0,0|1,1,1]=4 1397 B12R1.1 C=CCOCc1ccc(cc1)I 7a_100000690907_100015514636 [0,1,0,0,0,0|1,1,1]=4 1398 B12R1.1 C=CCOCc1ccc(cc1)N 34a_100011215238_100015514636 [0,1,0,0,0,0|2,0,1]=4 1399 B12R1.1 C=CCOCc1ccc(cn1)Cl 34a_100000703999_100015514636 [0,1,0,0,0,0|2,0,1]=4 1400 B12R1.1 C=CCOCc1ccc(cn1)Cl 34a_200000210373_100012066911 [0,1,0,0,0,0|2,0,1]=4 1401 B12R1.1 C=CCOCc1ccc(nc1)Cl 34a_100000755211_100015514636 [0,1,0,0,0,0|2,0,1]=4 1402 B12R1.1 C=CCOCc1ccc(nc1)Cl 34a_200000210373_100000735431 [0,1,0,0,0,0|2,0,1]=4 1403 B12R1.1 C=CCOCc1ccc(nc1)Cl 7a_100000755211_100015514636 [0,1,0,0,0,0|2,0,1]=4 1404 B12R1.1 C=CCSCc1ccc(cc1)Cl 62a_100000187161_100000210623 [0,1,0,0,0,0|1,1,1]=4 1405 B12R1.1 C=CCSCc1ccc(cc1)Cl 62a_100000210623_100000187161 [0,1,0,0,0,0|1,1,1]=4 1406 B12R1.1 CC#CCNc1ccc(cc1)Cl 2230a_100000210052_100000748600 [0,1,0,0,0,0|2,0,1]=4 1407 B12R1.1 CC#CCNc1ccc(cc1)Cl 34a_100000210052_100000748600 [0,1,0,0,0,0|2,0,1]=4 1408 B12R1.1 CC#CCOc1ccc(cc1)Br 34a_100000185759_100000748600 [0,1,0,0,0,0|1,1,1]=4 1409 B12R1.1 CC#CCOc1ccc(cc1)Br 7a_100000185759_100000748600 [0,1,0,0,0,0|1,1,1]=4 1410 B12R1.1 CC#CCOc1ccc(cc1)C 34a_100000210336_100000748600 [0,1,0,0,0,0|2,0,1]=4 1411 B12R1.1 CC#CCOc1ccc(cc1)C 7a_100000210336_100000748600 [0,1,0,0,0,0|2,0,1]=4 1412 B12R1.1 CC#CCOc1ccc(cc1)Cl 34a_100000210216_100000748600 [0,1,0,0,0,0|1,0,1]=3 1413 B12R1.1 CC#CCOc1ccc(cc1)Cl 7a_100000210216_100000748600 [0,1,0,0,0,0|1,0,1]=3 1414 B12R1.1 CC#CCOc1ccc(cc1)F 34a_100000210339_100000748600 [0,1,0,0,0,0|1,1,1]=4 1415 B12R1.1 CC#CCOc1ccc(cc1)I 34a_100000212066_100000748600 [0,1,0,0,0,0|1,1,1]=4 1416 B12R1.1 CC#CCOc1ccc(cc1)I 7a_100000212066_100000748600 [0,1,0,0,0,0|1,1,1]=4 1417 B12R1.1 CC#CCOc1ccc(cc1)N 34a_100000185829_100000748600 [0,1,0,0,0,0|2,0,1]=4 1418 B12R1.1 CC#CCOc1ccc(cn1)Cl 34a_100011215309_100000748600 [0,1,0,0,0,0|2,0,1]=4 1419 B12R1.1 CC#CCOc1ccc(nc1)Cl 34a_100000744096_100000748600 [0,1,0,0,0,0|2,0,1]=4 1420 B12R1.1 CC#CCOc1ccc(nc1)Cl 7a_100000744096_100000748600 [0,1,0,0,0,0|2,0,1]=4 1421 B12R1.1 CC#CCSc1ccc(cc1)Cl 62a_100000748600_100000755918 [0,1,0,0,0,0|1,1,1]=4 1422 B12R1.1 CC#CCSc1ccc(cc1)Cl 62a_100000755918_100000748600 [0,1,0,0,0,0|1,1,1]=4 1423 B12R1.1 CC=CCNc1ccc(cc1)Cl 2230a_100000210052_100000070051 [0,1,0,0,0,0|2,0,1]=4 1424 B12R1.1 CC=CCNc1ccc(cc1)Cl 34a_100000210052_100000070051 [0,1,0,0,0,0|2,0,1]=4 1425 B12R1.1 CC=CCOc1ccc(cc1)Br 34a_100000185759_100000070051 [0,1,0,0,0,0|1,1,1]=4 1426 B12R1.1 CC=CCOc1ccc(cc1)Br 7a_100000185759_100000070051 [0,1,0,0,0,0|1,1,1]=4 1427 B12R1.1 CC=CCOc1ccc(cc1)C 34a_100000210336_100000070051 [0,1,0,0,0,0|2,0,1]=4 1428 B12R1.1 CC=CCOc1ccc(cc1)C 7a_100000210336_100000070051 [0,1,0,0,0,0|2,0,1]=4 1429 B12R1.1 CC=CCOc1ccc(cc1)Cl 34a_100000210216_100000070051 [0,1,0,0,0,0|1,0,1]=3 1430 B12R1.1 CC=CCOc1ccc(cc1)Cl 7a_100000210216_100000070051 [0,1,0,0,0,0|1,0,1]=3 1431 B12R1.1 CC=CCOc1ccc(cc1)F 34a_100000210339_100000070051 [0,1,0,0,0,0|1,1,1]=4 1432 B12R1.1 CC=CCOc1ccc(cc1)I 34a_100000212066_100000070051 [0,1,0,0,0,0|1,1,1]=4 1433 B12R1.1 CC=CCOc1ccc(cc1)I 7a_100000212066_100000070051 [0,1,0,0,0,0|1,1,1]=4 1434 B12R1.1 CC=CCOc1ccc(cc1)N 34a_100000185829_100000070051 [0,1,0,0,0,0|2,0,1]=4 1435 B12R1.1 CC=CCOc1ccc(cn1)Cl 34a_100011215309_100000070051 [0,1,0,0,0,0|2,0,1]=4 1436 B12R1.1 CC=CCOc1ccc(nc1)Cl 34a_100000744096_100000070051 [0,1,0,0,0,0|2,0,1]=4 1437 B12R1.1 CC=CCOc1ccc(nc1)Cl 7a_100000744096_100000070051 [0,1,0,0,0,0|2,0,1]=4 1438 B12R1.1 CC=CCSc1ccc(cc1)Cl 62a_100000070051_100000755918 [0,1,0,0,0,0|1,1,1]=4 1439 B12R1.1 CC=CCSc1ccc(cc1)Cl 62a_100000755918_100000070051 [0,1,0,0,0,0|1,1,1]=4 1440 B12R1.1 CCC=NNc1ccc(cc1)Cl 4a_100000683521_100000210100 [0,1,0,0,0,0|2,0,1]=4 1441 B12R1.1 CCCC=Cc1ccc(cc1)Br 271570a_100016258520_100000752885 [0,1,0,0,0,0|2,1,0]=4 1442 B12R1.1 CCCC=Cc1ccc(cc1)C 271570a_100016258520_100000186775 [0,1,0,0,0,0|3,0,0]=4 1443 B12R1.1 CCCC=Cc1ccc(cc1)Cl 271570a_100016258520_100000755918 [0,1,0,0,0,0|2,0,0]=3 1444 B12R1.1 CCCC=Cc1ccc(cc1)F 271570a_100016258520_100000211213 [0,1,0,0,0,0|2,1,0]=4 1445 B12R1.1 CCCC=Cc1ccc(cc1)N 271570a_100016258520_100000185761 [0,1,0,0,0,0|3,0,0]=4 1446 B12R1.1 CCCC=Cc1ccc(cc1)O 271570a_100016258520_100000185759 [0,1,0,0,0,0|3,0,0]=4 1447 B12R1.1 CCCC=Cc1ccc(cn1)Cl 271570a_100016258520_100011356976 [0,1,0,0,0,0|3,0,0]=4 1448 B12R1.1 CCCC=Cc1ccc(nc1)Cl 271570a_100016258520_100000034144 [0,1,0,0,0,0|3,0,0]=4 1449 B12R1.1 CCCCCc1ccc(cc1)O 271570a_203496583355_100009813665 [0,1,0,0,0,0|3,0,0]=4 1450 B12R1.1 CCCCNc1ccc(cc1)Br 2230a_100000210018_100000210211 [0,1,0,0,0,0|2,1,0]=4 1451 B12R1.1 CCCCNc1ccc(cc1)Br 34a_100000210018_100000210210 [0,1,0,0,0,0|2,1,0]=4 1452 B12R1.1 CCCCNc1ccc(cc1)C 34a_100000124888_100000210210 [0,1,0,0,0,0|3,0,0]=4 1453 B12R1.1 CCCCNc1ccc(cc1)Cl 2230a_100000210052_100000210211 [0,1,0,0,0,0|2,0,0]=3 1454 B12R1.1 CCCCNc1ccc(cc1)Cl 34a_100000210052_100000210210 [0,1,0,0,0,0|2,0,0]=3 1455 B12R1.1 CCCCNc1ccc(cc1)F 34a_100000185862_100000210210 [0,1,0,0,0,0|2,1,0]=4 1456 B12R1.1 CCCCNc1ccc(cc1)I 34a_100000185761_100000210210 [0,1,0,0,0,0|2,1,0]=4 1457 B12R1.1 CCCCNc1ccc(cc1)O 34a_100000185829_100000210210 [0,1,0,0,0,0|3,0,0]=4 1458 B12R1.1 CCCCOc1ccc(=O)[nH]c1 34a_100000075641_100000210210 [0,1,0,0,0,0|3,0,0]=4 1459 B12R1.1 CCCCOc1ccc(cc1)Br 34a_100000185759_100000210210 [0,1,0,0,0,0|1,1,0]=3 1460 B12R1.1 CCCCOc1ccc(cc1)Br 7a_100000185759_100000210211 [0,1,0,0,0,0|1,1,0]=3 1461 B12R1.1 CCCCOc1ccc(cc1)C 34a_100000210336_100000210210 [0,1,0,0,0,0|2,0,0]=3 1462 B12R1.1 CCCCOc1ccc(cc1)C 7a_100000210336_100000210211 [0,1,0,0,0,0|2,0,0]=3 1463 B12R1.1 CCCCOc1ccc(cc1)Cl 34a_100000210216_100000210210 [0,1,0,0,0,0|1,0,0]=2 1464 B12R1.1 CCCCOc1ccc(cc1)Cl 7a_100000210216_100000210211 [0,1,0,0,0,0|1,0,0]=2 1465 B12R1.1 CCCCOc1ccc(cc1)F 34a_100000210339_100000210210 [0,1,0,0,0,0|1,1,0]=3 1466 B12R1.1 CCCCOc1ccc(cc1)I 34a_100000212066_100000210210 [0,1,0,0,0,0|1,1,0]=3 1467 B12R1.1 CCCCOc1ccc(cc1)I 7a_100000212066_100000210211 [0,1,0,0,0,0|1,1,0]=3 1468 B12R1.1 CCCCOc1ccc(cc1)N 34a_100000185829_100000210210 [0,1,0,0,0,0|2,0,0]=3 1469 B12R1.1 CCCCOc1ccc(cc1)O 271570a_203496583355_100000230682 [0,1,0,0,0,0|2,0,0]=3 1470 B12R1.1 CCCCOc1ccc(cn1)C 34a_100000759353_100000210210 [0,1,0,0,0,0|3,0,0]=4 1471 B12R1.1 CCCCOc1ccc(cn1)Cl 34a_100011215309_100000210210 [0,1,0,0,0,0|2,0,0]=3 1472 B12R1.1 CCCCOc1ccc(cn1)F 34a_100000742473_100000210210 [0,1,0,0,0,0|2,1,0]=4 1473 B12R1.1 CCCCOc1ccc(cn1)N 34a_100000729260_100000210210 [0,1,0,0,0,0|3,0,0]=4 1474 B12R1.1 CCCCOc1ccc(nc1)Br 34a_100000685995_100000210210 [0,1,0,0,0,0|2,1,0]=4 1475 B12R1.1 CCCCOc1ccc(nc1)Br 7a_100000685995_100000210211 [0,1,0,0,0,0|2,1,0]=4 1476 B12R1.1 CCCCOc1ccc(nc1)C 34a_100000745506_100000210210 [0,1,0,0,0,0|3,0,0]=4 1477 B12R1.1 CCCCOc1ccc(nc1)C 7a_100000745506_100000210211 [0,1,0,0,0,0|3,0,0]=4 1478 B12R1.1 CCCCOc1ccc(nc1)Cl 34a_100000744096_100000210210 [0,1,0,0,0,0|2,0,0]=3 1479 B12R1.1 CCCCOc1ccc(nc1)Cl 7a_100000744096_100000210211 [0,1,0,0,0,0|2,0,0]=3 1480 B12R1.1 CCCCOc1ccc(nc1)F 34a_100000688820_100000210210 [0,1,0,0,0,0|2,1,0]=4 1481 B12R1.1 CCCCOc1ccc(nc1)F 7a_100000688820_100000210211 [0,1,0,0,0,0|2,1,0]=4 1482 B12R1.1 CCCCOc1ccc(nc1)I 34a_100000687607_100000210210 [0,1,0,0,0,0|2,1,0]=4 1483 B12R1.1 CCCCOc1ccc(nc1)I 7a_100000687607_100000210211 [0,1,0,0,0,0|2,1,0]=4 1484 B12R1.1 CCCCOc1ccc(nc1)N 34a_100015188713_100000210210 [0,1,0,0,0,0|3,0,0]=4 1485 B12R1.1 CCCCOc1ccc(nc1)N 7a_100015188713_100000210211 [0,1,0,0,0,0|3,0,0]=4 1486 B12R1.1 CCCCOc1cnc(cn1)Cl 34a_100015839800_100000210210 [0,1,0,0,0,0|3,0,0]=4 1487 B12R1.1 CCCCOc1cnc(nc1)Cl 34a_100000092845_100000210210 [0,1,0,0,0,0|3,0,0]=4 1488 B12R1.1 CCCCOc1cnc(nc1)Cl 7a_100000092845_100000210211 [0,1,0,0,0,0|3,0,0]=4 1489 B12R1.1 CCCCSc1ccc(cc1)Br 62a_100000210211_100000752885 [0,1,0,0,0,0|1,2,0]=4 1490 B12R1.1 CCCCSc1ccc(cc1)Br 62a_100000752885_100000210210 [0,1,0,0,0,0|1,2,0]=4 1491 B12R1.1 CCCCSc1ccc(cc1)C 62a_100000186775_100000210210 [0,1,0,0,0,0|2,1,0]=4 1492 B12R1.1 CCCCSc1ccc(cc1)C 62a_100000210211_100000186775 [0,1,0,0,0,0|2,1,0]=4 1493 B12R1.1 CCCCSc1ccc(cc1)Cl 62a_100000210211_100000755918 [0,1,0,0,0,0|1,1,0]=3 1494 B12R1.1 CCCCSc1ccc(cc1)Cl 62a_100000755918_100000210210 [0,1,0,0,0,0|1,1,0]=3 1495 B12R1.1 CCCCSc1ccc(cc1)F 62a_100000210211_100000211213 [0,1,0,0,0,0|1,2,0]=4 1496 B12R1.1 CCCCSc1ccc(cc1)F 62a_100000211213_100000210210 [0,1,0,0,0,0|1,2,0]=4 1497 B12R1.1 CCCCSc1ccc(cc1)N 62a_100000185761_100000210210 [0,1,0,0,0,0|2,1,0]=4 1498 B12R1.1 CCCCSc1ccc(cc1)N 62a_100000210211_100000185761 [0,1,0,0,0,0|2,1,0]=4 1499 B12R1.1 CCCCSc1ccc(cc1)O 62a_100000210211_100000185759 [0,1,0,0,0,0|2,1,0]=4 1500 B12R1.1 CCCCSc1ccc(cn1)Cl 62a_100000210211_100011356976 [0,1,0,0,0,0|2,1,0]=4 1501 B12R1.1 CCCCSc1ccc(cn1)Cl 62a_100011356976_100000210210 [0,1,0,0,0,0|2,1,0]=4 1502 B12R1.1 CCCCSc1ccc(nc1)Cl 62a_100000034144_100000210210 [0,1,0,0,0,0|2,1,0]=4 1503 B12R1.1 CCCCSc1ccc(nc1)Cl 62a_100000210211_100000034144 [0,1,0,0,0,0|2,1,0]=4 1504 B12R1.1 CCCNCc1ccc(cc1)Br 207a_100020643023_100000186029 [0,1,0,0,0,0|2,1,0]=4 1505 B12R1.1 CCCNCc1ccc(cc1)Br 2230a_100000174875_100000210303 [0,1,0,0,0,0|2,1,0]=4 1506 B12R1.1 CCCNCc1ccc(cc1)Br 270004a_100020643023_100000186029 [0,1,0,0,0,0|2,1,0]=4 1507 B12R1.1 CCCNCc1ccc(cc1)Br 34a_100000174875_100000210303 [0,1,0,0,0,0|2,1,0]=4 1508 B12R1.1 CCCNCc1ccc(cc1)C 207a_100020643023_100000211033 [0,1,0,0,0,0|3,0,0]=4 1509 B12R1.1 CCCNCc1ccc(cc1)C 2230a_100000174908_100000210303 [0,1,0,0,0,0|3,0,0]=4 1510 B12R1.1 CCCNCc1ccc(cc1)C 270004a_100020643023_100000211033 [0,1,0,0,0,0|3,0,0]=4 1511 B12R1.1 CCCNCc1ccc(cc1)C 34a_100000174908_100000210303 [0,1,0,0,0,0|3,0,0]=4 1512 B12R1.1 CCCNCc1ccc(cc1)Cl 207a_100020643023_100000189385 [0,1,0,0,0,0|2,0,0]=3 1513 B12R1.1 CCCNCc1ccc(cc1)Cl 2230a_100000174871_100000210303 [0,1,0,0,0,0|2,0,0]=3 1514 B12R1.1 CCCNCc1ccc(cc1)Cl 270004a_100020643023_100000189385 [0,1,0,0,0,0|2,0,0]=3 1515 B12R1.1 CCCNCc1ccc(cc1)Cl 34a_100000174871_100000210303 [0,1,0,0,0,0|2,0,0]=3 1516 B12R1.1 CCCNCc1ccc(cc1)F 207a_100020643023_100000210084 [0,1,0,0,0,0|2,1,0]=4 1517 B12R1.1 CCCNCc1ccc(cc1)F 2230a_100000174882_100000210303 [0,1,0,0,0,0|2,1,0]=4 1518 B12R1.1 CCCNCc1ccc(cc1)F 270004a_100020643023_100000210084 [0,1,0,0,0,0|2,1,0]=4 1519 B12R1.1 CCCNCc1ccc(cc1)F 34a_100000174882_100000210303 [0,1,0,0,0,0|2,1,0]=4 1520 B12R1.1 CCCNCc1ccc(cc1)I 207a_100020643023_100000188517 [0,1,0,0,0,0|2,1,0]=4 1521 B12R1.1 CCCNCc1ccc(cc1)I 2230a_100016989417_100000210303 [0,1,0,0,0,0|2,1,0]=4 1522 B12R1.1 CCCNCc1ccc(cc1)I 34a_100016989417_100000210303 [0,1,0,0,0,0|2,1,0]=4 1523 B12R1.1 CCCNCc1ccc(cc1)O 34a_100000185549_100000210303 [0,1,0,0,0,0|3,0,0]=4 1524 B12R1.1 CCCNCc1ccc(cn1)Cl 207a_100020643023_100011361569 [0,1,0,0,0,0|3,0,0]=4 1525 B12R1.1 CCCNCc1ccc(cn1)Cl 270004a_100020643023_100011361569 [0,1,0,0,0,0|3,0,0]=4 1526 B12R1.1 CCCNCc1ccc(cn1)Cl 34a_100000697193_100000210303 [0,1,0,0,0,0|3,0,0]=4 1527 B12R1.1 CCCNCc1ccc(nc1)Cl 2230a_100000735879_100000210303 [0,1,0,0,0,0|3,0,0]=4 1528 B12R1.1 CCCNCc1ccc(nc1)Cl 34a_100000735879_100000210303 [0,1,0,0,0,0|3,0,0]=4 1529 B12R1.1 CCCOCc1cc[n+](cc1)C 34a_100009831711_100000210303 [0,1,0,0,0,0|3,0,0]=4 1530 B12R1.1 CCCOCc1cc[n+](cc1)[O-] 34a_100000031831_100000210303 [0,1,0,0,0,0|3,0,0]=4 1531 B12R1.1 CCCOCc1cc[n+](cc1)[O-] 7a_100000031831_100000210303 [0,1,0,0,0,0|3,0,0]=4 1532 B12R1.1 CCCOCc1ccc(=O)[nH]c1 34a_100011999846_100000210303 [0,1,0,0,0,0|3,0,0]=4 1533 B12R1.1 CCCOCc1ccc(cc1)Br 34a_100000210258_100000189115 [0,1,0,0,0,0|1,1,0]=3 1534 B12R1.1 CCCOCc1ccc(cc1)Br 34a_100000695286_100000210303 [0,1,0,0,0,0|1,1,0]=3 1535 B12R1.1 CCCOCc1ccc(cc1)C 34a_100000210258_100000210814 [0,1,0,0,0,0|2,0,0]=3 1536 B12R1.1 CCCOCc1ccc(cc1)C 34a_100011215236_100000210303 [0,1,0,0,0,0|2,0,0]=3 1537 B12R1.1 CCCOCc1ccc(cc1)C 7a_100011215236_100000210303 [0,1,0,0,0,0|2,0,0]=3 1538 B12R1.1 CCCOCc1ccc(cc1)Cl 34a_100000210258_100000694040 [0,1,0,0,0,0|1,0,0]=2 1539 B12R1.1 CCCOCc1ccc(cc1)Cl 34a_100000211118_100000210303 [0,1,0,0,0,0|1,0,0]=2 1540 B12R1.1 CCCOCc1ccc(cc1)Cl 7a_100000211118_100000210303 [0,1,0,0,0,0|1,0,0]=2 1541 B12R1.1 CCCOCc1ccc(cc1)F 34a_100000210258_100000198546 [0,1,0,0,0,0|1,1,0]=3 1542 B12R1.1 CCCOCc1ccc(cc1)F 34a_100000210977_100000210303 [0,1,0,0,0,0|1,1,0]=3 1543 B12R1.1 CCCOCc1ccc(cc1)F 7a_100000210977_100000210303 [0,1,0,0,0,0|1,1,0]=3 1544 B12R1.1 CCCOCc1ccc(cc1)I 34a_100000210258_100000189116 [0,1,0,0,0,0|1,1,0]=3 1545 B12R1.1 CCCOCc1ccc(cc1)I 34a_100000690907_100000210303 [0,1,0,0,0,0|1,1,0]=3 1546 B12R1.1 CCCOCc1ccc(cc1)I 7a_100000690907_100000210303 [0,1,0,0,0,0|1,1,0]=3 1547 B12R1.1 CCCOCc1ccc(cc1)N 34a_100011215238_100000210303 [0,1,0,0,0,0|2,0,0]=3 1548 B12R1.1 CCCOCc1ccc(cn1)Br 34a_100000210258_100000702658 [0,1,0,0,0,0|2,1,0]=4 1549 B12R1.1 CCCOCc1ccc(cn1)Br 34a_100000754261_100000210303 [0,1,0,0,0,0|2,1,0]=4 1550 B12R1.1 CCCOCc1ccc(cn1)C 34a_100000210258_100000691093 [0,1,0,0,0,0|3,0,0]=4 1551 B12R1.1 CCCOCc1ccc(cn1)C 34a_100012001401_100000210303 [0,1,0,0,0,0|3,0,0]=4 1552 B12R1.1 CCCOCc1ccc(cn1)Cl 34a_100000210258_100012066911 [0,1,0,0,0,0|2,0,0]=3 1553 B12R1.1 CCCOCc1ccc(cn1)Cl 34a_100000703999_100000210303 [0,1,0,0,0,0|2,0,0]=3 1554 B12R1.1 CCCOCc1ccc(cn1)F 34a_100000210258_100000703193 [0,1,0,0,0,0|2,1,0]=4 1555 B12R1.1 CCCOCc1ccc(cn1)F 34a_100011999454_100000210303 [0,1,0,0,0,0|2,1,0]=4 1556 B12R1.1 CCCOCc1ccc(cn1)N 34a_100011998161_100000210303 [0,1,0,0,0,0|3,0,0]=4 1557 B12R1.1 CCCOCc1ccc(nc1)Br 34a_100000210258_100009831999 [0,1,0,0,0,0|2,1,0]=4 1558 B12R1.1 CCCOCc1ccc(nc1)Br 34a_100009816760_100000210303 [0,1,0,0,0,0|2,1,0]=4 1559 B12R1.1 CCCOCc1ccc(nc1)Br 7a_100009816760_100000210303 [0,1,0,0,0,0|2,1,0]=4 1560 B12R1.1 CCCOCc1ccc(nc1)C 34a_100000210258_100016987292 [0,1,0,0,0,0|3,0,0]=4 1561 B12R1.1 CCCOCc1ccc(nc1)C 34a_100011248133_100000210303 [0,1,0,0,0,0|3,0,0]=4 1562 B12R1.1 CCCOCc1ccc(nc1)Cl 34a_100000210258_100000735431 [0,1,0,0,0,0|2,0,0]=3 1563 B12R1.1 CCCOCc1ccc(nc1)Cl 34a_100000755211_100000210303 [0,1,0,0,0,0|2,0,0]=3 1564 B12R1.1 CCCOCc1ccc(nc1)Cl 7a_100000755211_100000210303 [0,1,0,0,0,0|2,0,0]=3 1565 B12R1.1 CCCOCc1ccc(nc1)F 34a_100000079959_100000210303 [0,1,0,0,0,0|2,1,0]=4 1566 B12R1.1 CCCOCc1ccc(nc1)F 34a_100000210258_100000099788 [0,1,0,0,0,0|2,1,0]=4 1567 B12R1.1 CCCOCc1ccc(nc1)N 34a_100000704267_100000210303 [0,1,0,0,0,0|3,0,0]=4 1568 B12R1.1 CCCOCc1ccc(nn1)Cl 34a_100000210258_100016992710 [0,1,0,0,0,0|3,0,0]=4 1569 B12R1.1 CCCOCc1cnc(cn1)Cl 34a_100012002382_100000210303 [0,1,0,0,0,0|3,0,0]=4 1570 B12R1.1 CCCOCc1cnc(nc1)Cl 34a_100009855073_100000210303 [0,1,0,0,0,0|3,0,0]=4 1571 B12R1.1 CCCOCc1cnc(nc1)Cl 7a_100009855073_100000210303 [0,1,0,0,0,0|3,0,0]=4 1572 B12R1.1 CCCSCc1ccc(cc1)Br 62a_100000189115_100000210303 [0,1,0,0,0,0|1,2,0]=4 1573 B12R1.1 CCCSCc1ccc(cc1)Br 62a_100000210303_100000189115 [0,1,0,0,0,0|1,2,0]=4 1574 B12R1.1 CCCSCc1ccc(cc1)C 62a_100000210303_100000210814 [0,1,0,0,0,0|2,1,0]=4 1575 B12R1.1 CCCSCc1ccc(cc1)C 62a_100000210814_100000210303 [0,1,0,0,0,0|2,1,0]=4 1576 B12R1.1 CCCSCc1ccc(cc1)Cl 62a_100000187161_100000210303 [0,1,0,0,0,0|1,1,0]=3 1577 B12R1.1 CCCSCc1ccc(cc1)Cl 62a_100000210303_100000187161 [0,1,0,0,0,0|1,1,0]=3 1578 B12R1.1 CCCSCc1ccc(cc1)F 62a_100000198546_100000210303 [0,1,0,0,0,0|1,2,0]=4 1579 B12R1.1 CCCSCc1ccc(cc1)F 62a_100000210303_100000187164 [0,1,0,0,0,0|1,2,0]=4 1580 B12R1.1 CCCSCc1ccc(cc1)I 62a_100000189116_100000210303 [0,1,0,0,0,0|1,2,0]=4 1581 B12R1.1 CCCSCc1ccc(cc1)I 62a_100000210303_100000189116 [0,1,0,0,0,0|1,2,0]=4 1582 B12R1.1 CCCSCc1ccc(cn1)Cl 62a_100000210303_100000697101 [0,1,0,0,0,0|2,1,0]=4 1583 B12R1.1 CCCSCc1ccc(cn1)Cl 62a_100012066911_100000210303 [0,1,0,0,0,0|2,1,0]=4 1584 B12R1.1 CCCSCc1ccc(nc1)Cl 62a_100000210303_100000735431 [0,1,0,0,0,0|2,1,0]=4 1585 B12R1.1 CCCSCc1ccc(nc1)Cl 62a_100000735431_100000210303 [0,1,0,0,0,0|2,1,0]=4 1586 B12R1.1 CCNCCc1ccc(cc1)Br 2230a_100000755846_100000210202 [0,1,0,0,0,0|2,1,0]=4 1587 B12R1.1 CCNCCc1ccc(cc1)Br 2230a_100015525214_100011740612 [0,1,0,0,0,0|2,1,0]=4 1588 B12R1.1 CCNCCc1ccc(cc1)Br 34a_100000755846_100000210202 [0,1,0,0,0,0|2,1,0]=4 1589 B12R1.1 CCNCCc1ccc(cc1)C 2230a_100000705350_100000210202 [0,1,0,0,0,0|3,0,0]=4 1590 B12R1.1 CCNCCc1ccc(cc1)C 2230a_100015525214_100011713686 [0,1,0,0,0,0|3,0,0]=4 1591 B12R1.1 CCNCCc1ccc(cc1)C 34a_100000705350_100000210202 [0,1,0,0,0,0|3,0,0]=4 1592 B12R1.1 CCNCCc1ccc(cc1)Cl 2230a_100000185265_100000210202 [0,1,0,0,0,0|2,0,0]=3 1593 B12R1.1 CCNCCc1ccc(cc1)Cl 2230a_100015525214_100011713675 [0,1,0,0,0,0|2,0,0]=3 1594 B12R1.1 CCNCCc1ccc(cc1)Cl 34a_100000185265_100000210202 [0,1,0,0,0,0|2,0,0]=3 1595 B12R1.1 CCNCCc1ccc(cc1)F 2230a_100000199005_100000210202 [0,1,0,0,0,0|2,1,0]=4 1596 B12R1.1 CCNCCc1ccc(cc1)F 2230a_100015525214_100011217392 [0,1,0,0,0,0|2,1,0]=4 1597 B12R1.1 CCNCCc1ccc(cc1)F 34a_100000199005_100000210202 [0,1,0,0,0,0|2,1,0]=4 1598 B12R1.1 CCNCCc1ccc(cc1)O 2230a_100015525214_100009816426 [0,1,0,0,0,0|3,0,0]=4 1599 B12R1.1 CCNCCc1ccc(cc1)O 34a_100000743037_100000210202 [0,1,0,0,0,0|3,0,0]=4 1600 B12R1.1 CCNN=Cc1ccc(cc1)Cl 4a_100000756455_100000189385 [0,1,0,0,0,0|3,0,0]=4 1601 B12R1.1 CCOC=Cc1ccc(cc1)Cl 271570a_100016256518_100000755918 [0,1,0,0,0,0|2,0,1]=4 1602 B12R1.1 CCOCCc1ccc(cc1)Br 34a_100000766406_100000210202 [0,1,0,0,0,0|2,1,0]=4 1603 B12R1.1 CCOCCc1ccc(cc1)Br 34a_100121572206_100011740612 [0,1,0,0,0,0|2,1,0]=4 1604 B12R1.1 CCOCCc1ccc(cc1)Br 7a_100000766406_100000210202 [0,1,0,0,0,0|2,1,0]=4 1605 B12R1.1 CCOCCc1ccc(cc1)C 34a_100000756670_100000210202 [0,1,0,0,0,0|3,0,0]=4 1606 B12R1.1 CCOCCc1ccc(cc1)C 34a_100121572206_100011713686 [0,1,0,0,0,0|3,0,0]=4 1607 B12R1.1 CCOCCc1ccc(cc1)C 7a_100000756670_100000210202 [0,1,0,0,0,0|3,0,0]=4 1608 B12R1.1 CCOCCc1ccc(cc1)Cl 34a_100011219627_100000210202 [0,1,0,0,0,0|2,0,0]=3 1609 B12R1.1 CCOCCc1ccc(cc1)Cl 34a_100121572206_100011713675 [0,1,0,0,0,0|2,0,0]=3 1610 B12R1.1 CCOCCc1ccc(cc1)Cl 7a_100011219627_100000210202 [0,1,0,0,0,0|2,0,0]=3 1611 B12R1.1 CCOCCc1ccc(cc1)F 34a_100000754732_100000210202 [0,1,0,0,0,0|2,1,0]=4 1612 B12R1.1 CCOCCc1ccc(cc1)F 34a_100121572206_100011217392 [0,1,0,0,0,0|2,1,0]=4 1613 B12R1.1 CCOCCc1ccc(cc1)F 7a_100000754732_100000210202 [0,1,0,0,0,0|2,1,0]=4 1614 B12R1.1 CCOCCc1ccc(cc1)I 34a_100012291149_100000210202 [0,1,0,0,0,0|2,1,0]=4 1615 B12R1.1 CCOCCc1ccc(cc1)I 7a_100012291149_100000210202 [0,1,0,0,0,0|2,1,0]=4 1616 B12R1.1 CCOCCc1ccc(cc1)N 34a_100011204434_100000210202 [0,1,0,0,0,0|3,0,0]=4 1617 B12R1.1 CCOCCc1ccc(nc1)Cl 34a_100009880866_100000210202 [0,1,0,0,0,0|3,0,0]=4 1618 B12R1.1 CCOCCc1ccc(nc1)Cl 7a_100009880866_100000210202 [0,1,0,0,0,0|3,0,0]=4 1619 B12R1.1 CCOCSc1ccc(cc1)Br 62a_100000739092_100000752885 [0,1,0,0,0,0|1,2,0]=4 1620 B12R1.1 CCOCSc1ccc(cc1)Br 62a_100000752885_100000739092 [0,1,0,0,0,0|1,2,0]=4 1621 B12R1.1 CCOCSc1ccc(cc1)C 62a_100000186775_100000739092 [0,1,0,0,0,0|2,1,0]=4 1622 B12R1.1 CCOCSc1ccc(cc1)C 62a_100000739092_100000186775 [0,1,0,0,0,0|2,1,0]=4 1623 B12R1.1 CCOCSc1ccc(cc1)Cl 62a_100000739092_100000755918 [0,1,0,0,0,0|1,1,0]=3 1624 B12R1.1 CCOCSc1ccc(cc1)Cl 62a_100000755918_100000739092 [0,1,0,0,0,0|1,1,0]=3 1625 B12R1.1 CCOCSc1ccc(cc1)F 62a_100000211213_100000739092 [0,1,0,0,0,0|1,2,0]=4 1626 B12R1.1 CCOCSc1ccc(cc1)F 62a_100000739092_100000211213 [0,1,0,0,0,0|1,2,0]=4 1627 B12R1.1 CCOCSc1ccc(cc1)N 62a_100000185761_100000739092 [0,1,0,0,0,0|2,1,0]=4 1628 B12R1.1 CCOCSc1ccc(cc1)N 62a_100000739092_100000185761 [0,1,0,0,0,0|2,1,0]=4 1629 B12R1.1 CCOCSc1ccc(cc1)O 62a_100000739092_100000185759 [0,1,0,0,0,0|2,1,0]=4 1630 B12R1.1 CCOCSc1ccc(cn1)Cl 62a_100000739092_100011356976 [0,1,0,0,0,0|2,1,0]=4 1631 B12R1.1 CCOCSc1ccc(cn1)Cl 62a_100011356976_100000739092 [0,1,0,0,0,0|2,1,0]=4 1632 B12R1.1 CCOCSc1ccc(nc1)Cl 62a_100000034144_100000739092 [0,1,0,0,0,0|2,1,0]=4 1633 B12R1.1 CCOCSc1ccc(nc1)Cl 62a_100000739092_100000034144 [0,1,0,0,0,0|2,1,0]=4 1634 B12R1.1 CCSCCc1ccc(cc1)Br 62a_100000210202_100011740612 [0,1,0,0,0,0|2,1,0]=4 1635 B12R1.1 CCSCCc1ccc(cc1)Br 62a_100011740612_100000210202 [0,1,0,0,0,0|2,1,0]=4 1636 B12R1.1 CCSCCc1ccc(cc1)C 62a_100000210202_100011713686 [0,1,0,0,0,0|3,0,0]=4 1637 B12R1.1 CCSCCc1ccc(cc1)C 62a_100011713686_100000210202 [0,1,0,0,0,0|3,0,0]=4 1638 B12R1.1 CCSCCc1ccc(cc1)Cl 62a_100000210202_100011713675 [0,1,0,0,0,0|2,0,0]=3 1639 B12R1.1 CCSCCc1ccc(cc1)Cl 62a_100011713675_100000210202 [0,1,0,0,0,0|2,0,0]=3 1640 B12R1.1 CCSCCc1ccc(cc1)F 62a_100000210202_100011217392 [0,1,0,0,0,0|2,1,0]=4 1641 B12R1.1 CCSCCc1ccc(cc1)F 62a_100011217392_100000210202 [0,1,0,0,0,0|2,1,0]=4 1642 B12R1.1 CCSCCc1ccc(cc1)O 62a_100000210202_100009816426 [0,1,0,0,0,0|3,0,0]=4 1643 B12R1.1 CCSCCc1ccc(cc1)O 62a_100009816426_100000210202 [0,1,0,0,0,0|3,0,0]=4 1644 B12R1.1 CNCC#Cc1ccc(cc1)Cl 2230a_100011352944_200000210301 [0,1,0,0,0,0|2,0,1]=4 1645 B12R1.1 CNCC#Cc1ccc(cc1)Cl 34a_100011352944_200000210301 [0,1,0,0,0,0|2,0,1]=4 1646 B12R1.1 CNCC=Cc1ccc(cc1)Cl 270004a_106832991635_100102525842 [0,1,0,0,0,0|2,0,1]=4 1647 B12R1.1 CNCCCc1ccc(cc1)Br 2230a_100011297623_200000210301 [0,1,0,0,0,0|2,1,0]=4 1648 B12R1.1 CNCCCc1ccc(cc1)Br 2230a_106832991635_100011713682 [0,1,0,0,0,0|2,1,0]=4 1649 B12R1.1 CNCCCc1ccc(cc1)Br 34a_100011297623_200000210301 [0,1,0,0,0,0|2,1,0]=4 1650 B12R1.1 CNCCCc1ccc(cc1)Br 34a_100102657272_100011713682 [0,1,0,0,0,0|2,1,0]=4 1651 B12R1.1 CNCCCc1ccc(cc1)Br 7a_106832991635_100011713682 [0,1,0,0,0,0|2,1,0]=4 1652 B12R1.1 CNCCCc1ccc(cc1)C 2230a_100011236272_200000210301 [0,1,0,0,0,0|3,0,0]=4 1653 B12R1.1 CNCCCc1ccc(cc1)C 34a_100011236272_200000210301 [0,1,0,0,0,0|3,0,0]=4 1654 B12R1.1 CNCCCc1ccc(cc1)Cl 2230a_100000748451_200000210301 [0,1,0,0,0,0|2,0,0]=3 1655 B12R1.1 CNCCCc1ccc(cc1)Cl 2230a_106832991635_100000759440 [0,1,0,0,0,0|2,0,0]=3 1656 B12R1.1 CNCCCc1ccc(cc1)Cl 34a_100000748451_200000210301 [0,1,0,0,0,0|2,0,0]=3 1657 B12R1.1 CNCCCc1ccc(cc1)Cl 34a_100102657272_100000759440 [0,1,0,0,0,0|2,0,0]=3 1658 B12R1.1 CNCCCc1ccc(cc1)Cl 7a_106832991635_100000759440 [0,1,0,0,0,0|2,0,0]=3 1659 B12R1.1 CNCCCc1ccc(cc1)F 2230a_100025745824_200000210301 [0,1,0,0,0,0|2,1,0]=4 1660 B12R1.1 CNCCCc1ccc(cc1)F 2230a_106832991635_200011713563 [0,1,0,0,0,0|2,1,0]=4 1661 B12R1.1 CNCCCc1ccc(cc1)F 34a_100025745824_200000210301 [0,1,0,0,0,0|2,1,0]=4 1662 B12R1.1 CNCCCc1ccc(cc1)F 34a_100102657272_200011713563 [0,1,0,0,0,0|2,1,0]=4 1663 B12R1.1 CNCCCc1ccc(cc1)F 7a_106832991635_200011713563 [0,1,0,0,0,0|2,1,0]=4 1664 B12R1.1 CNCCOc1ccc(cc1)Br 2230a_100000746992_200000210301 [0,1,0,0,0,0|1,1,0]=3 1665 B12R1.1 CNCCOc1ccc(cc1)Br 2230a_106832991635_100000183278 [0,1,0,0,0,0|1,1,0]=3 1666 B12R1.1 CNCCOc1ccc(cc1)Br 34a_100000746992_200000210301 [0,1,0,0,0,0|1,1,0]=3 1667 B12R1.1 CNCCOc1ccc(cc1)Br 34a_100102657272_100000183278 [0,1,0,0,0,0|1,1,0]=3 1668 B12R1.1 CNCCOc1ccc(cc1)Br 7a_106832991635_100000183278 [0,1,0,0,0,0|1,1,0]=3 1669 B12R1.1 CNCCOc1ccc(cc1)C 2230a_100020666663_200000210301 [0,1,0,0,0,0|2,0,0]=3 1670 B12R1.1 CNCCOc1ccc(cc1)C 2230a_106832991635_100000183172 [0,1,0,0,0,0|2,0,0]=3 1671 B12R1.1 CNCCOc1ccc(cc1)C 34a_100020666663_200000210301 [0,1,0,0,0,0|2,0,0]=3 1672 B12R1.1 CNCCOc1ccc(cc1)C 34a_100102657272_100000183172 [0,1,0,0,0,0|2,0,0]=3 1673 B12R1.1 CNCCOc1ccc(cc1)C 7a_106832991635_100000183172 [0,1,0,0,0,0|2,0,0]=3 1674 B12R1.1 CNCCOc1ccc(cc1)Cl 2230a_100000697975_200000210301 [0,1,0,0,0,0|1,0,0]=2 1675 B12R1.1 CNCCOc1ccc(cc1)Cl 2230a_106832991635_100000184122 [0,1,0,0,0,0|1,0,0]=2 1676 B12R1.1 CNCCOc1ccc(cc1)Cl 34a_100000697975_200000210301 [0,1,0,0,0,0|1,0,0]=2 1677 B12R1.1 CNCCOc1ccc(cc1)Cl 34a_100102657272_100000184122 [0,1,0,0,0,0|1,0,0]=2 1678 B12R1.1 CNCCOc1ccc(cc1)Cl 7a_106832991635_100000184122 [0,1,0,0,0,0|1,0,0]=2 1679 B12R1.1 CNCCOc1ccc(cc1)F 2230a_100000737420_200000210301 [0,1,0,0,0,0|1,1,0]=3 1680 B12R1.1 CNCCOc1ccc(cc1)F 2230a_106832991635_100000184936 [0,1,0,0,0,0|1,1,0]=3 1681 B12R1.1 CNCCOc1ccc(cc1)F 34a_100000737420_200000210301 [0,1,0,0,0,0|1,1,0]=3 1682 B12R1.1 CNCCOc1ccc(cc1)F 34a_100102657272_100000184936 [0,1,0,0,0,0|1,1,0]=3 1683 B12R1.1 CNCCOc1ccc(cc1)F 7a_106832991635_100000184936 [0,1,0,0,0,0|1,1,0]=3 1684 B12R1.1 CNCCSc1ccc(cc1)Br 2230a_100000184645_200000210301 [0,1,0,0,0,0|1,2,0]=4 1685 B12R1.1 CNCCSc1ccc(cc1)C 2230a_100000739754_200000210301 [0,1,0,0,0,0|2,1,0]=4 1686 B12R1.1 CNCCSc1ccc(cc1)Cl 2230a_100000174974_200000210301 [0,1,0,0,0,0|1,1,0]=3 1687 B12R1.1 COCC#Cc1ccc(cc1)Br 34a_100009814260_200000210301 [0,1,0,0,0,0|1,1,1]=4 1688 B12R1.1 COCC#Cc1ccc(cc1)Br 34a_100138415774_100010706785 [0,1,0,0,0,0|1,1,1]=4 1689 B12R1.1 COCC#Cc1ccc(cc1)Br 7a_100009814260_200000210301 [0,1,0,0,0,0|1,1,1]=4 1690 B12R1.1 COCC#Cc1ccc(cc1)C 34a_100000696136_200000210301 [0,1,0,0,0,0|2,0,1]=4 1691 B12R1.1 COCC#Cc1ccc(cc1)C 7a_100000696136_200000210301 [0,1,0,0,0,0|2,0,1]=4 1692 B12R1.1 COCC#Cc1ccc(cc1)F 34a_100011219116_200000210301 [0,1,0,0,0,0|1,1,1]=4 1693 B12R1.1 COCC#Cc1ccc(cc1)F 34a_100138415774_100010402171 [0,1,0,0,0,0|1,1,1]=4 1694 B12R1.1 COCC#Cc1ccc(cc1)F 7a_100011219116_200000210301 [0,1,0,0,0,0|1,1,1]=4 1695 B12R1.1 COCC=Cc1ccc(cc1)Br 271570a_100016286323_100000752885 [0,1,0,0,0,0|1,1,1]=4 1696 B12R1.1 COCC=Cc1ccc(cc1)C 271570a_100016286323_100000186775 [0,1,0,0,0,0|2,0,1]=4 1697 B12R1.1 COCC=Cc1ccc(cc1)Cl 271570a_100016286323_100000755918 [0,1,0,0,0,0|1,0,1]=3 1698 B12R1.1 COCC=Cc1ccc(cc1)F 271570a_100016286323_100000211213 [0,1,0,0,0,0|1,1,1]=4 1699 B12R1.1 COCC=Cc1ccc(cc1)N 271570a_100016286323_100000185761 [0,1,0,0,0,0|2,0,1]=4 1700 B12R1.1 COCC=Cc1ccc(cc1)O 271570a_100016286323_100000185759 [0,1,0,0,0,0|2,0,1]=4 1701 B12R1.1 COCC=Cc1ccc(cn1)Cl 271570a_100016286323_100011356976 [0,1,0,0,0,0|2,0,1]=4 1702 B12R1.1 COCC=Cc1ccc(nc1)Cl 271570a_100016286323_100000034144 [0,1,0,0,0,0|2,0,1]=4 1703 B12R1.1 COCCCc1ccc(cc1)Br 34a_100011709247_200000210301 [0,1,0,0,0,0|1,1,0]=3 1704 B12R1.1 COCCCc1ccc(cc1)Br 34a_100138415774_100011713682 [0,1,0,0,0,0|1,1,0]=3 1705 B12R1.1 COCCCc1ccc(cc1)Br 7a_100011709247_200000210301 [0,1,0,0,0,0|1,1,0]=3 1706 B12R1.1 COCCCc1ccc(cc1)C 34a_100000189427_200000210301 [0,1,0,0,0,0|2,0,0]=3 1707 B12R1.1 COCCCc1ccc(cc1)C 7a_100000189427_200000210301 [0,1,0,0,0,0|2,0,0]=3 1708 B12R1.1 COCCCc1ccc(cc1)Cl 34a_100011217485_200000210301 [0,1,0,0,0,0|1,0,0]=2 1709 B12R1.1 COCCCc1ccc(cc1)Cl 34a_100138415774_100000759440 [0,1,0,0,0,0|1,0,0]=2 1710 B12R1.1 COCCCc1ccc(cc1)Cl 7a_100011217485_200000210301 [0,1,0,0,0,0|1,0,0]=2 1711 B12R1.1 COCCCc1ccc(cc1)F 34a_100000757351_200000210301 [0,1,0,0,0,0|1,1,0]=3 1712 B12R1.1 COCCCc1ccc(cc1)F 34a_100138415774_200011713563 [0,1,0,0,0,0|1,1,0]=3 1713 B12R1.1 COCCCc1ccc(cc1)F 7a_100000757351_200000210301 [0,1,0,0,0,0|1,1,0]=3 1714 B12R1.1 COCCNc1ccc(cc1)Br 2230a_100000210018_100011201679 [0,1,0,0,0,0|1,1,0]=3 1715 B12R1.1 COCCNc1ccc(cc1)Br 34a_100000210018_100011201679 [0,1,0,0,0,0|1,1,0]=3 1716 B12R1.1 COCCNc1ccc(cc1)C 34a_100000124888_100011201679 [0,1,0,0,0,0|2,0,0]=3 1717 B12R1.1 COCCNc1ccc(cc1)Cl 2230a_100000210052_100011201679 [0,1,0,0,0,0|1,0,0]=2 1718 B12R1.1 COCCNc1ccc(cc1)Cl 34a_100000210052_100011201679 [0,1,0,0,0,0|1,0,0]=2 1719 B12R1.1 COCCNc1ccc(cc1)F 34a_100000185862_100011201679 [0,1,0,0,0,0|1,1,0]=3 1720 B12R1.1 COCCNc1ccc(cc1)I 34a_100000185761_100011201679 [0,1,0,0,0,0|1,1,0]=3 1721 B12R1.1 COCCNc1ccc(cc1)O 34a_100000185829_100011201679 [0,1,0,0,0,0|2,0,0]=3 1722 B12R1.1 COCCNc1ccc(cn1)Br 27a_100000209980_100000686858 [0,1,0,0,0,0|2,1,0]=4 1723 B12R1.1 COCCNc1ccc(nn1)Cl 34a_100000767036_200000210301 [0,1,0,0,0,0|3,0,0]=4 1724 B12R1.1 COCCNc1ncc(cn1)Cl 27a_100000209980_100011356929 [0,1,0,0,0,0|3,0,0]=4 1725 B12R1.1 COCCOc1ccc(=O)[nH]c1 34a_100000075641_100011201679 [0,1,0,0,0,0|2,0,0]=3 1726 B12R1.1 COCCOc1ccc(cc1)Br 34a_100000185759_100011201679 [0,1,0,0,0,0|0,1,0]=2 1727 B12R1.1 COCCOc1ccc(cc1)Br 34a_100000686261_200000210301 [0,1,0,0,0,0|0,1,0]=2 1728 B12R1.1 COCCOc1ccc(cc1)Br 34a_100138415774_100000183278 [0,1,0,0,0,0|0,1,0]=2 1729 B12R1.1 COCCOc1ccc(cc1)Br 7a_100000185759_100000233755 [0,1,0,0,0,0|0,1,0]=2 1730 B12R1.1 COCCOc1ccc(cc1)Br 7a_100000686261_200000210301 [0,1,0,0,0,0|0,1,0]=2 1731 B12R1.1 COCCOc1ccc(cc1)C 34a_100000210336_100011201679 [0,1,0,0,0,0|1,0,0]=2 1732 B12R1.1 COCCOc1ccc(cc1)C 34a_100011219107_200000210301 [0,1,0,0,0,0|1,0,0]=2 1733 B12R1.1 COCCOc1ccc(cc1)C 34a_100138415774_100000183172 [0,1,0,0,0,0|1,0,0]=2 1734 B12R1.1 COCCOc1ccc(cc1)C 7a_100000210336_100000233755 [0,1,0,0,0,0|1,0,0]=2 1735 B12R1.1 COCCOc1ccc(cc1)C 7a_100011219107_200000210301 [0,1,0,0,0,0|1,0,0]=2 1736 B12R1.1 COCCOc1ccc(cc1)Cl 34a_100000210216_100011201679 [0,1,0,0,0,0|0,0,0]=1 1737 B12R1.1 COCCOc1ccc(cc1)Cl 34a_100000237962_200000210301 [0,1,0,0,0,0|0,0,0]=1 1738 B12R1.1 COCCOc1ccc(cc1)Cl 34a_100138415774_100000184122 [0,1,0,0,0,0|0,0,0]=1 1739 B12R1.1 COCCOc1ccc(cc1)Cl 7a_100000210216_100000233755 [0,1,0,0,0,0|0,0,0]=1 1740 B12R1.1 COCCOc1ccc(cc1)Cl 7a_100000237962_200000210301 [0,1,0,0,0,0|0,0,0]=1 1741 B12R1.1 COCCOc1ccc(cc1)F 34a_100000210339_100011201679 [0,1,0,0,0,0|0,1,0]=2 1742 B12R1.1 COCCOc1ccc(cc1)F 34a_100138415774_100000184936 [0,1,0,0,0,0|0,1,0]=2 1743 B12R1.1 COCCOc1ccc(cc1)I 34a_100000212066_100011201679 [0,1,0,0,0,0|0,1,0]=2 1744 B12R1.1 COCCOc1ccc(cc1)I 7a_100000212066_100000233755 [0,1,0,0,0,0|0,1,0]=2 1745 B12R1.1 COCCOc1ccc(cc1)N 34a_100000185829_100011201679 [0,1,0,0,0,0|1,0,0]=2 1746 B12R1.1 COCCOc1ccc(cc1)N 34a_100000754363_200000210301 [0,1,0,0,0,0|1,0,0]=2 1747 B12R1.1 COCCOc1ccc(cc1)O 271570a_203496583355_100000234135 [0,1,0,0,0,0|1,0,0]=2 1748 B12R1.1 COCCOc1ccc(cn1)C 34a_100000759353_100011201679 [0,1,0,0,0,0|2,0,0]=3 1749 B12R1.1 COCCOc1ccc(cn1)Cl 34a_100011215309_100011201679 [0,1,0,0,0,0|1,0,0]=2 1750 B12R1.1 COCCOc1ccc(cn1)F 34a_100000742473_100011201679 [0,1,0,0,0,0|1,1,0]=3 1751 B12R1.1 COCCOc1ccc(cn1)N 34a_100000729260_100011201679 [0,1,0,0,0,0|2,0,0]=3 1752 B12R1.1 COCCOc1ccc(cn1)N 34a_100102662783_200000210301 [0,1,0,0,0,0|2,0,0]=3 1753 B12R1.1 COCCOc1ccc(cn1)O 271570a_203496583355_100000758753 [0,1,0,0,0,0|2,0,0]=3 1754 B12R1.1 COCCOc1ccc(nc1)Br 34a_100000685995_100011201679 [0,1,0,0,0,0|1,1,0]=3 1755 B12R1.1 COCCOc1ccc(nc1)Br 34a_200013150534_200000210301 [0,1,0,0,0,0|1,1,0]=3 1756 B12R1.1 COCCOc1ccc(nc1)Br 7a_100000685995_100000233755 [0,1,0,0,0,0|1,1,0]=3 1757 B12R1.1 COCCOc1ccc(nc1)Br 7a_200013150534_200000210301 [0,1,0,0,0,0|1,1,0]=3 1758 B12R1.1 COCCOc1ccc(nc1)C 34a_100000745506_100011201679 [0,1,0,0,0,0|2,0,0]=3 1759 B12R1.1 COCCOc1ccc(nc1)C 7a_100000745506_100000233755 [0,1,0,0,0,0|2,0,0]=3 1760 B12R1.1 COCCOc1ccc(nc1)Cl 34a_100000744096_100011201679 [0,1,0,0,0,0|1,0,0]=2 1761 B12R1.1 COCCOc1ccc(nc1)Cl 7a_100000744096_100000233755 [0,1,0,0,0,0|1,0,0]=2 1762 B12R1.1 COCCOc1ccc(nc1)F 34a_100000688820_100011201679 [0,1,0,0,0,0|1,1,0]=3 1763 B12R1.1 COCCOc1ccc(nc1)F 7a_100000688820_100000233755 [0,1,0,0,0,0|1,1,0]=3 1764 B12R1.1 COCCOc1ccc(nc1)I 34a_100000687607_100011201679 [0,1,0,0,0,0|1,1,0]=3 1765 B12R1.1 COCCOc1ccc(nc1)I 7a_100000687607_100000233755 [0,1,0,0,0,0|1,1,0]=3 1766 B12R1.1 COCCOc1ccc(nc1)N 34a_100015188713_100011201679 [0,1,0,0,0,0|2,0,0]=3 1767 B12R1.1 COCCOc1ccc(nc1)N 7a_100015188713_100000233755 [0,1,0,0,0,0|2,0,0]=3 1768 B12R1.1 COCCOc1cnc(cn1)Br 34a_100011934580_100011201679 [0,1,0,0,0,0|2,1,0]=4 1769 B12R1.1 COCCOc1cnc(cn1)Cl 34a_100015839800_100011201679 [0,1,0,0,0,0|2,0,0]=3 1770 B12R1.1 COCCOc1cnc(nc1)Br 34a_100000730009_100011201679 [0,1,0,0,0,0|2,1,0]=4 1771 B12R1.1 COCCOc1cnc(nc1)Br 7a_100000730009_100000233755 [0,1,0,0,0,0|2,1,0]=4 1772 B12R1.1 COCCOc1cnc(nc1)C 34a_100000062939_100011201679 [0,1,0,0,0,0|3,0,0]=4 1773 B12R1.1 COCCOc1cnc(nc1)C 7a_100000062939_100000233755 [0,1,0,0,0,0|3,0,0]=4 1774 B12R1.1 COCCOc1cnc(nc1)Cl 34a_100000092845_100011201679 [0,1,0,0,0,0|2,0,0]=3 1775 B12R1.1 COCCOc1cnc(nc1)Cl 7a_100000092845_100000233755 [0,1,0,0,0,0|2,0,0]=3 1776 B12R1.1 COCCOc1cnc(nc1)F 34a_200009874573_100011201679 [0,1,0,0,0,0|2,1,0]=4 1777 B12R1.1 COCCOc1cnc(nc1)F 7a_200009874573_100000233755 [0,1,0,0,0,0|2,1,0]=4 1778 B12R1.1 COCCOc1cnc(nc1)N 34a_100000087137_100011201679 [0,1,0,0,0,0|3,0,0]=4 1779 B12R1.1 COCCOc1cnc(nc1)N 7a_100000087137_100000233755 [0,1,0,0,0,0|3,0,0]=4 1780 B12R1.1 COCCOc1ncc(cn1)F 34a_100011934040_100011201679 [0,1,0,0,0,0|2,1,0]=4 1781 B12R1.1 COCCOc1ncc(cn1)O 271570a_203496583355_200011939457 [0,1,0,0,0,0|3,0,0]=4 1782 B12R1.1 COCCSc1cc[n+](cc1)[O-] 62a_100000233755_100000039755 [0,1,0,0,0,0|2,1,0]=4 1783 B12R1.1 COCCSc1ccc(=O)[nH]c1 62a_100000212171_100000233755 [0,1,0,0,0,0|2,1,0]=4 1784 B12R1.1 COCCSc1ccc(=O)[nH]c1 62a_100000233755_100000212171 [0,1,0,0,0,0|2,1,0]=4 1785 B12R1.1 COCCSc1ccc(cc1)Br 62a_100000233755_100000752885 [0,1,0,0,0,0|0,2,0]=3 1786 B12R1.1 COCCSc1ccc(cc1)Br 62a_100000752885_100000233755 [0,1,0,0,0,0|0,2,0]=3 1787 B12R1.1 COCCSc1ccc(cc1)C 34a_200000230582_200000210301 [0,1,0,0,0,0|1,1,0]=3 1788 B12R1.1 COCCSc1ccc(cc1)C 62a_100000186775_100000233755 [0,1,0,0,0,0|1,1,0]=3 1789 B12R1.1 COCCSc1ccc(cc1)C 62a_100000233755_100000186775 [0,1,0,0,0,0|1,1,0]=3 1790 B12R1.1 COCCSc1ccc(cc1)C 7a_200000230582_200000210301 [0,1,0,0,0,0|1,1,0]=3 1791 B12R1.1 COCCSc1ccc(cc1)Cl 34a_100000230527_200000210301 [0,1,0,0,0,0|0,1,0]=2 1792 B12R1.1 COCCSc1ccc(cc1)Cl 62a_100000233755_100000755918 [0,1,0,0,0,0|0,1,0]=2 1793 B12R1.1 COCCSc1ccc(cc1)Cl 62a_100000755918_100000233755 [0,1,0,0,0,0|0,1,0]=2 1794 B12R1.1 COCCSc1ccc(cc1)Cl 7a_100000230527_200000210301 [0,1,0,0,0,0|0,1,0]=2 1795 B12R1.1 COCCSc1ccc(cc1)F 34a_200000230679_200000210301 [0,1,0,0,0,0|0,2,0]=3 1796 B12R1.1 COCCSc1ccc(cc1)F 62a_100000211213_100000233755 [0,1,0,0,0,0|0,2,0]=3 1797 B12R1.1 COCCSc1ccc(cc1)F 62a_100000233755_100000211213 [0,1,0,0,0,0|0,2,0]=3 1798 B12R1.1 COCCSc1ccc(cc1)F 7a_200000230679_200000210301 [0,1,0,0,0,0|0,2,0]=3 1799 B12R1.1 COCCSc1ccc(cc1)N 62a_100000185761_100000233755 [0,1,0,0,0,0|1,1,0]=3 1800 B12R1.1 COCCSc1ccc(cc1)N 62a_100000233755_100000185761 [0,1,0,0,0,0|1,1,0]=3 1801 B12R1.1 COCCSc1ccc(cc1)O 271570a_203496583355_200009813259 [0,1,0,0,0,0|1,1,0]=3 1802 B12R1.1 COCCSc1ccc(cc1)O 62a_100000233755_100000185759 [0,1,0,0,0,0|1,1,0]=3 1803 B12R1.1 COCCSc1ccc(cn1)Br 62a_100000233755_100000686858 [0,1,0,0,0,0|1,2,0]=4 1804 B12R1.1 COCCSc1ccc(cn1)Br 62a_100000686858_100000233755 [0,1,0,0,0,0|1,2,0]=4 1805 B12R1.1 COCCSc1ccc(cn1)C 62a_100000233755_100000754016 [0,1,0,0,0,0|2,1,0]=4 1806 B12R1.1 COCCSc1ccc(cn1)C 62a_100011192072_100000233755 [0,1,0,0,0,0|2,1,0]=4 1807 B12R1.1 COCCSc1ccc(cn1)Cl 62a_100000233755_100011356976 [0,1,0,0,0,0|1,1,0]=3 1808 B12R1.1 COCCSc1ccc(cn1)Cl 62a_100011356976_100000233755 [0,1,0,0,0,0|1,1,0]=3 1809 B12R1.1 COCCSc1ccc(cn1)F 62a_100000233755_100000744514 [0,1,0,0,0,0|1,2,0]=4 1810 B12R1.1 COCCSc1ccc(cn1)F 62a_100000744514_100000233755 [0,1,0,0,0,0|1,2,0]=4 1811 B12R1.1 COCCSc1ccc(cn1)N 62a_100000233755_100000737798 [0,1,0,0,0,0|2,1,0]=4 1812 B12R1.1 COCCSc1ccc(cn1)N 62a_100000737798_100000233755 [0,1,0,0,0,0|2,1,0]=4 1813 B12R1.1 COCCSc1ccc(cn1)O 62a_100000233755_100000744096 [0,1,0,0,0,0|2,1,0]=4 1814 B12R1.1 COCCSc1ccc(cn1)O 62a_100000685995_100000233755 [0,1,0,0,0,0|2,1,0]=4 1815 B12R1.1 COCCSc1ccc(nc1)Br 62a_100000233755_100009814638 [0,1,0,0,0,0|1,2,0]=4 1816 B12R1.1 COCCSc1ccc(nc1)Br 62a_100009814638_100000233755 [0,1,0,0,0,0|1,2,0]=4 1817 B12R1.1 COCCSc1ccc(nc1)C 62a_100000233755_100000751577 [0,1,0,0,0,0|2,1,0]=4 1818 B12R1.1 COCCSc1ccc(nc1)C 62a_100000751577_100000233755 [0,1,0,0,0,0|2,1,0]=4 1819 B12R1.1 COCCSc1ccc(nc1)Cl 62a_100000034144_100000233755 [0,1,0,0,0,0|1,1,0]=3 1820 B12R1.1 COCCSc1ccc(nc1)Cl 62a_100000233755_100000034144 [0,1,0,0,0,0|1,1,0]=3 1821 B12R1.1 COCCSc1ccc(nc1)F 62a_100000042367_100000233755 [0,1,0,0,0,0|1,2,0]=4 1822 B12R1.1 COCCSc1ccc(nc1)F 62a_100000233755_100000042367 [0,1,0,0,0,0|1,2,0]=4 1823 B12R1.1 COCCSc1ccc(nc1)N 62a_100000187370_100000233755 [0,1,0,0,0,0|2,1,0]=4 1824 B12R1.1 COCCSc1ccc(nc1)N 62a_100000233755_100000187370 [0,1,0,0,0,0|2,1,0]=4 1825 B12R1.1 COCCSc1ccc(nn1)Cl 62a_100000068654_100000233755 [0,1,0,0,0,0|2,1,0]=4 1826 B12R1.1 COCCSc1ccc(nn1)Cl 62a_100000233755_100000068654 [0,1,0,0,0,0|2,1,0]=4 1827 B12R1.1 COCCSc1ccc(nn1)Cl 7a_100000215309_200000210301 [0,1,0,0,0,0|2,1,0]=4 1828 B12R1.1 COCCSc1cnc(cn1)Cl 62a_100000233755_100010214907 [0,1,0,0,0,0|2,1,0]=4 1829 B12R1.1 COCCSc1cnc(cn1)Cl 62a_100010214907_100000233755 [0,1,0,0,0,0|2,1,0]=4 1830 B12R1.1 COCCSc1cnc(nc1)Cl 62a_100000059775_100000233755 [0,1,0,0,0,0|2,1,0]=4 1831 B12R1.1 COCCSc1cnc(nc1)Cl 62a_100000233755_100000059775 [0,1,0,0,0,0|2,1,0]=4 1832 B12R1.1 COCCSc1ncc(cn1)Cl 62a_100000233755_100011356929 [0,1,0,0,0,0|2,1,0]=4 1833 B12R1.1 COCCSc1ncc(cn1)Cl 62a_100011356929_100000233755 [0,1,0,0,0,0|2,1,0]=4 1834 B12R1.1 COCNCc1ccc(cc1)Br 2230a_100000174875_100000766300 [0,1,0,0,0,0|2,1,0]=4 1835 B12R1.1 COCNCc1ccc(cc1)C 2230a_100000174908_100000766300 [0,1,0,0,0,0|3,0,0]=4 1836 B12R1.1 COCNCc1ccc(cc1)Cl 2230a_100000174871_100000766300 [0,1,0,0,0,0|2,0,0]=3 1837 B12R1.1 COCNCc1ccc(cc1)F 2230a_100000174882_100000766300 [0,1,0,0,0,0|2,1,0]=4 1838 B12R1.1 COCNCc1ccc(cc1)I 2230a_100016989417_100000766300 [0,1,0,0,0,0|2,1,0]=4 1839 B12R1.1 COCNCc1ccc(nc1)Cl 2230a_100000735879_100000766300 [0,1,0,0,0,0|3,0,0]=4 1840 B12R1.1 COCSCc1ccc(cc1)Br 62a_100000189115_100000766300 [0,1,0,0,0,0|2,1,0]=4 1841 B12R1.1 COCSCc1ccc(cc1)Br 62a_100000766300_100000189115 [0,1,0,0,0,0|2,1,0]=4 1842 B12R1.1 COCSCc1ccc(cc1)C 62a_100000210814_100000766300 [0,1,0,0,0,0|3,0,0]=4 1843 B12R1.1 COCSCc1ccc(cc1)C 62a_100000766300_100000210814 [0,1,0,0,0,0|3,0,0]=4 1844 B12R1.1 COCSCc1ccc(cc1)Cl 62a_100000187161_100000766300 [0,1,0,0,0,0|2,0,0]=3 1845 B12R1.1 COCSCc1ccc(cc1)Cl 62a_100000766300_100000187161 [0,1,0,0,0,0|2,0,0]=3 1846 B12R1.1 COCSCc1ccc(cc1)F 62a_100000198546_100000766300 [0,1,0,0,0,0|2,1,0]=4 1847 B12R1.1 COCSCc1ccc(cc1)F 62a_100000766300_100000187164 [0,1,0,0,0,0|2,1,0]=4 1848 B12R1.1 COCSCc1ccc(cc1)I 62a_100000189116_100000766300 [0,1,0,0,0,0|2,1,0]=4 1849 B12R1.1 COCSCc1ccc(cc1)I 62a_100000766300_100000189116 [0,1,0,0,0,0|2,1,0]=4 1850 B12R1.1 COCSCc1ccc(cn1)Cl 62a_100000766300_100000697101 [0,1,0,0,0,0|3,0,0]=4 1851 B12R1.1 COCSCc1ccc(cn1)Cl 62a_100012066911_100000766300 [0,1,0,0,0,0|3,0,0]=4 1852 B12R1.1 COCSCc1ccc(nc1)Cl 62a_100000735431_100000766300 [0,1,0,0,0,0|3,0,0]=4 1853 B12R1.1 COCSCc1ccc(nc1)Cl 62a_100000766300_100000735431 [0,1,0,0,0,0|3,0,0]=4 1854 B12R1.1 CSCCCc1ccc(cc1)Br 62a_100011713682_200000210301 [0,1,0,0,0,0|1,2,0]=4 1855 B12R1.1 CSCCCc1ccc(cc1)Br 62a_200000210301_100011713682 [0,1,0,0,0,0|1,2,0]=4 1856 B12R1.1 CSCCCc1ccc(cc1)Cl 62a_100000759440_200000210301 [0,1,0,0,0,0|1,1,0]=3 1857 B12R1.1 CSCCCc1ccc(cc1)Cl 62a_200000210301_100000759440 [0,1,0,0,0,0|1,1,0]=3 1858 B12R1.1 CSCCCc1ccc(cc1)F 62a_200000210301_200011713563 [0,1,0,0,0,0|1,2,0]=4 1859 B12R1.1 CSCCCc1ccc(cc1)F 62a_200011713563_200000210301 [0,1,0,0,0,0|1,2,0]=4 1860 B12R1.1 CSCCNc1ccc(cc1)Br 2230a_100000210018_100000751147 [0,1,0,0,0,0|1,2,0]=4 1861 B12R1.1 CSCCNc1ccc(cc1)Br 34a_100000210018_100000212216 [0,1,0,0,0,0|1,2,0]=4 1862 B12R1.1 CSCCNc1ccc(cc1)C 34a_100000124888_100000212216 [0,1,0,0,0,0|2,1,0]=4 1863 B12R1.1 CSCCNc1ccc(cc1)Cl 2230a_100000210052_100000751147 [0,1,0,0,0,0|1,1,0]=3 1864 B12R1.1 CSCCNc1ccc(cc1)Cl 34a_100000210052_100000212216 [0,1,0,0,0,0|1,1,0]=3 1865 B12R1.1 CSCCNc1ccc(cc1)F 34a_100000185862_100000212216 [0,1,0,0,0,0|1,2,0]=4 1866 B12R1.1 CSCCNc1ccc(cc1)I 34a_100000185761_100000212216 [0,1,0,0,0,0|1,2,0]=4 1867 B12R1.1 CSCCNc1ccc(cc1)O 34a_100000185829_100000212216 [0,1,0,0,0,0|2,1,0]=4 1868 B12R1.1 CSCCOc1ccc(=O)[nH]c1 34a_100000075641_100000212216 [0,1,0,0,0,0|2,1,0]=4 1869 B12R1.1 CSCCOc1ccc(cc1)Br 34a_100000185759_100000212216 [0,1,0,0,0,0|0,2,0]=3 1870 B12R1.1 CSCCOc1ccc(cc1)Br 62a_100000183278_200000210301 [0,1,0,0,0,0|0,2,0]=3 1871 B12R1.1 CSCCOc1ccc(cc1)Br 62a_200000210301_100000183278 [0,1,0,0,0,0|0,2,0]=3 1872 B12R1.1 CSCCOc1ccc(cc1)Br 7a_100000185759_100000212216 [0,1,0,0,0,0|0,2,0]=3 1873 B12R1.1 CSCCOc1ccc(cc1)C 34a_100000210336_100000212216 [0,1,0,0,0,0|1,1,0]=3 1874 B12R1.1 CSCCOc1ccc(cc1)C 62a_100000183172_200000210301 [0,1,0,0,0,0|1,1,0]=3 1875 B12R1.1 CSCCOc1ccc(cc1)C 62a_200000210301_100000183172 [0,1,0,0,0,0|1,1,0]=3 1876 B12R1.1 CSCCOc1ccc(cc1)C 7a_100000210336_100000212216 [0,1,0,0,0,0|1,1,0]=3 1877 B12R1.1 CSCCOc1ccc(cc1)Cl 34a_100000210216_100000212216 [0,1,0,0,0,0|0,1,0]=2 1878 B12R1.1 CSCCOc1ccc(cc1)Cl 62a_100000184122_200000210301 [0,1,0,0,0,0|0,1,0]=2 1879 B12R1.1 CSCCOc1ccc(cc1)Cl 62a_200000210301_100000184122 [0,1,0,0,0,0|0,1,0]=2 1880 B12R1.1 CSCCOc1ccc(cc1)Cl 7a_100000210216_100000212216 [0,1,0,0,0,0|0,1,0]=2 1881 B12R1.1 CSCCOc1ccc(cc1)F 34a_100000210339_100000212216 [0,1,0,0,0,0|0,2,0]=3 1882 B12R1.1 CSCCOc1ccc(cc1)F 62a_100000184936_200000210301 [0,1,0,0,0,0|0,2,0]=3 1883 B12R1.1 CSCCOc1ccc(cc1)F 62a_200000210301_100000184936 [0,1,0,0,0,0|0,2,0]=3 1884 B12R1.1 CSCCOc1ccc(cc1)I 34a_100000212066_100000212216 [0,1,0,0,0,0|0,2,0]=3 1885 B12R1.1 CSCCOc1ccc(cc1)I 7a_100000212066_100000212216 [0,1,0,0,0,0|0,2,0]=3 1886 B12R1.1 CSCCOc1ccc(cc1)N 34a_100000185829_100000212216 [0,1,0,0,0,0|1,1,0]=3 1887 B12R1.1 CSCCOc1ccc(cn1)C 34a_100000759353_100000212216 [0,1,0,0,0,0|2,1,0]=4 1888 B12R1.1 CSCCOc1ccc(cn1)Cl 34a_100011215309_100000212216 [0,1,0,0,0,0|1,1,0]=3 1889 B12R1.1 CSCCOc1ccc(cn1)F 34a_100000742473_100000212216 [0,1,0,0,0,0|1,2,0]=4 1890 B12R1.1 CSCCOc1ccc(cn1)N 34a_100000729260_100000212216 [0,1,0,0,0,0|2,1,0]=4 1891 B12R1.1 CSCCOc1ccc(nc1)Br 34a_100000685995_100000212216 [0,1,0,0,0,0|1,2,0]=4 1892 B12R1.1 CSCCOc1ccc(nc1)Br 7a_100000685995_100000212216 [0,1,0,0,0,0|1,2,0]=4 1893 B12R1.1 CSCCOc1ccc(nc1)C 34a_100000745506_100000212216 [0,1,0,0,0,0|2,1,0]=4 1894 B12R1.1 CSCCOc1ccc(nc1)C 7a_100000745506_100000212216 [0,1,0,0,0,0|2,1,0]=4 1895 B12R1.1 CSCCOc1ccc(nc1)Cl 34a_100000744096_100000212216 [0,1,0,0,0,0|1,1,0]=3 1896 B12R1.1 CSCCOc1ccc(nc1)Cl 7a_100000744096_100000212216 [0,1,0,0,0,0|1,1,0]=3 1897 B12R1.1 CSCCOc1ccc(nc1)F 34a_100000688820_100000212216 [0,1,0,0,0,0|1,2,0]=4 1898 B12R1.1 CSCCOc1ccc(nc1)F 7a_100000688820_100000212216 [0,1,0,0,0,0|1,2,0]=4 1899 B12R1.1 CSCCOc1ccc(nc1)I 34a_100000687607_100000212216 [0,1,0,0,0,0|1,2,0]=4 1900 B12R1.1 CSCCOc1ccc(nc1)I 7a_100000687607_100000212216 [0,1,0,0,0,0|1,2,0]=4 1901 B12R1.1 CSCCOc1ccc(nc1)N 34a_100015188713_100000212216 [0,1,0,0,0,0|2,1,0]=4 1902 B12R1.1 CSCCOc1ccc(nc1)N 7a_100015188713_100000212216 [0,1,0,0,0,0|2,1,0]=4 1903 B12R1.1 CSCCOc1cnc(cn1)Cl 34a_100015839800_100000212216 [0,1,0,0,0,0|2,1,0]=4 1904 B12R1.1 CSCCOc1cnc(nc1)Cl 34a_100000092845_100000212216 [0,1,0,0,0,0|2,1,0]=4 1905 B12R1.1 CSCCOc1cnc(nc1)Cl 7a_100000092845_100000212216 [0,1,0,0,0,0|2,1,0]=4 1906 B12R1.1 CSCCSc1ccc(cc1)Br 62a_100000212216_100000752885 [0,1,0,0,0,0|0,3,0]=4 1907 B12R1.1 CSCCSc1ccc(cc1)Br 62a_100000752885_100000751147 [0,1,0,0,0,0|0,3,0]=4 1908 B12R1.1 CSCCSc1ccc(cc1)C 62a_100000186775_100000751147 [0,1,0,0,0,0|1,2,0]=4 1909 B12R1.1 CSCCSc1ccc(cc1)C 62a_100000212216_100000186775 [0,1,0,0,0,0|1,2,0]=4 1910 B12R1.1 CSCCSc1ccc(cc1)Cl 62a_100000212216_100000755918 [0,1,0,0,0,0|0,2,0]=3 1911 B12R1.1 CSCCSc1ccc(cc1)Cl 62a_100000755918_100000751147 [0,1,0,0,0,0|0,2,0]=3 1912 B12R1.1 CSCCSc1ccc(cc1)F 62a_100000211213_100000751147 [0,1,0,0,0,0|0,3,0]=4 1913 B12R1.1 CSCCSc1ccc(cc1)F 62a_100000212216_100000211213 [0,1,0,0,0,0|0,3,0]=4 1914 B12R1.1 CSCCSc1ccc(cc1)N 62a_100000185761_100000751147 [0,1,0,0,0,0|1,2,0]=4 1915 B12R1.1 CSCCSc1ccc(cc1)N 62a_100000212216_100000185761 [0,1,0,0,0,0|1,2,0]=4 1916 B12R1.1 CSCCSc1ccc(cc1)O 62a_100000212216_100000185759 [0,1,0,0,0,0|1,2,0]=4 1917 B12R1.1 CSCCSc1ccc(cn1)Cl 62a_100000212216_100011356976 [0,1,0,0,0,0|1,2,0]=4 1918 B12R1.1 CSCCSc1ccc(cn1)Cl 62a_100011356976_100000751147 [0,1,0,0,0,0|1,2,0]=4 1919 B12R1.1 CSCCSc1ccc(nc1)Cl 62a_100000034144_100000751147 [0,1,0,0,0,0|1,2,0]=4 1920 B12R1.1 CSCCSc1ccc(nc1)Cl 62a_100000212216_100000034144 [0,1,0,0,0,0|1,2,0]=4 1921 B12R1.1 CSCNCc1ccc(cc1)Cl 2230a_100000174871_100011218213 [0,1,0,0,0,0|2,1,0]=4 1922 B12R1.1 CSCNCc1ccc(cc1)Cl 34a_100000174871_100011218213 [0,1,0,0,0,0|2,1,0]=4 1923 B12R1.1 CSCOCc1ccc(cc1)Br 34a_100000695286_100011218213 [0,1,0,0,0,0|2,1,0]=4 1924 B12R1.1 CSCOCc1ccc(cc1)C 34a_100011215236_100011218213 [0,1,0,0,0,0|3,0,0]=4 1925 B12R1.1 CSCOCc1ccc(cc1)Cl 34a_100000211118_100011218213 [0,1,0,0,0,0|2,0,0]=3 1926 B12R1.1 CSCOCc1ccc(cc1)F 34a_100000210977_100011218213 [0,1,0,0,0,0|2,1,0]=4 1927 B12R1.1 CSCOCc1ccc(cc1)I 34a_100000690907_100011218213 [0,1,0,0,0,0|2,1,0]=4 1928 B12R1.1 CSCOCc1ccc(cc1)N 34a_100011215238_100011218213 [0,1,0,0,0,0|3,0,0]=4 1929 B12R1.1 CSCOCc1ccc(cn1)Cl 34a_100000703999_100011218213 [0,1,0,0,0,0|3,0,0]=4 1930 B12R1.1 CSCOCc1ccc(nc1)Cl 34a_100000755211_100011218213 [0,1,0,0,0,0|3,0,0]=4 1931 B12R1.1 CSCSCc1ccc(cc1)Cl 62a_100000187161_100011218213 [0,1,0,0,0,0|2,1,0]=4 1932 B12R1.1 CSCSCc1ccc(cc1)Cl 62a_100011218213_100000187161 [0,1,0,0,0,0|2,1,0]=4 1933 B12R1.1 C[n+]1ccc(cc1)COCCF 34a_100009831711_100011217306 [0,1,0,0,0,0|3,0,0]=4 1934 B12R1.1 C[n+]1ccc(cc1)COCCO 34a_100009831711_100000211926 [0,1,0,0,0,0|2,0,0]=3 1935 B12R1.1 Cc1ccc(cc1)C#CCO[13CH3] 34a_100000696136_200025704644 [0,1,0,0,0,0|2,0,1]=4 1936 B12R1.1 Cc1ccc(cc1)C#CCO[13CH3] 7a_100000696136_200025704644 [0,1,0,0,0,0|2,0,1]=4 1937 B12R1.1 Cc1ccc(cc1)CCCN[13CH3] 2230a_100011236272_200025704644 [0,1,0,0,0,0|3,0,0]=4 1938 B12R1.1 Cc1ccc(cc1)CCCN[13CH3] 34a_100011236272_200025704644 [0,1,0,0,0,0|3,0,0]=4 1939 B12R1.1 Cc1ccc(cc1)CCCO[13CH3] 34a_100000189427_200025704644 [0,1,0,0,0,0|2,0,0]=3 1940 B12R1.1 Cc1ccc(cc1)CCCO[13CH3] 7a_100000189427_200025704644 [0,1,0,0,0,0|2,0,0]=3 1941 B12R1.1 Cc1ccc(cc1)CCNCF 34a_100000705350_100015361967 [0,1,0,0,0,0|3,0,0]=4 1942 B12R1.1 Cc1ccc(cc1)CCOCF 34a_100000756670_100015361967 [0,1,0,0,0,0|3,0,0]=4 1943 B12R1.1 Cc1ccc(cc1)CCOCF 7a_100000756670_100015361967 [0,1,0,0,0,0|3,0,0]=4 1944 B12R1.1 Cc1ccc(cc1)CCSCF 62a_100011713686_100015361967 [0,1,0,0,0,0|3,0,0]=4 1945 B12R1.1 Cc1ccc(cc1)CCSCF 62a_100015361967_100011713686 [0,1,0,0,0,0|3,0,0]=4 1946 B12R1.1 Cc1ccc(cc1)CNCCF 2230a_100000174908_100011217306 [0,1,0,0,0,0|3,0,0]=4 1947 B12R1.1 Cc1ccc(cc1)CNCCF 34a_100000174908_100011217306 [0,1,0,0,0,0|3,0,0]=4 1948 B12R1.1 Cc1ccc(cc1)CNCCF 34a_100000724931_100000210814 [0,1,0,0,0,0|3,0,0]=4 1949 B12R1.1 Cc1ccc(cc1)CNCCO 207a_100000210304_100000211033 [0,1,0,0,0,0|2,0,0]=3 1950 B12R1.1 Cc1ccc(cc1)CNCCO 2230a_100000174908_100000211926 [0,1,0,0,0,0|2,0,0]=3 1951 B12R1.1 Cc1ccc(cc1)CNCCO 2230a_100016997473_100000210814 [0,1,0,0,0,0|2,0,0]=3 1952 B12R1.1 Cc1ccc(cc1)CNCCO 270004a_100000210304_100000211033 [0,1,0,0,0,0|2,0,0]=3 1953 B12R1.1 Cc1ccc(cc1)CNCCO 34a_100000174908_100000211926 [0,1,0,0,0,0|2,0,0]=3 1954 B12R1.1 Cc1ccc(cc1)CNCCO 34a_100016990907_100000210814 [0,1,0,0,0,0|2,0,0]=3 1955 B12R1.1 Cc1ccc(cc1)COCC#N 7a_100011215236_100011215382 [0,1,0,0,0,0|2,0,1]=4 1956 B12R1.1 Cc1ccc(cc1)COCC=O 34a_100011215236_200009817547 [0,1,0,0,0,0|1,0,2]=4 1957 B12R1.1 Cc1ccc(cc1)COCC=O 7a_100011215236_200015260668 [0,1,0,0,0,0|1,0,2]=4 1958 B12R1.1 Cc1ccc(cc1)COCCBr 34a_100000211926_100000210814 [0,1,0,0,0,0|2,0,0]=3 1959 B12R1.1 Cc1ccc(cc1)COCCF 34a_100011215236_100011217306 [0,1,0,0,0,0|2,0,0]=3 1960 B12R1.1 Cc1ccc(cc1)COCCF 7a_100011215236_100011217306 [0,1,0,0,0,0|2,0,0]=3 1961 B12R1.1 Cc1ccc(cc1)COCCN 34a_100000210304_100000210814 [0,1,0,0,0,0|2,0,0]=3 1962 B12R1.1 Cc1ccc(cc1)COCCO 34a_100011215236_100000211926 [0,1,0,0,0,0|1,0,0]=2 1963 B12R1.1 Cc1ccc(cc1)COCCO 7a_100011215236_100000211926 [0,1,0,0,0,0|1,0,0]=2 1964 B12R1.1 Cc1ccc(cc1)CSCCF 62a_100000210814_100011217306 [0,1,0,0,0,0|2,1,0]=4 1965 B12R1.1 Cc1ccc(cc1)CSCCF 62a_100011217306_100000210814 [0,1,0,0,0,0|2,1,0]=4 1966 B12R1.1 Cc1ccc(cc1)CSCCO 62a_100000210814_100000211926 [0,1,0,0,0,0|1,1,0]=3 1967 B12R1.1 Cc1ccc(cc1)CSCCO 62a_100000211926_100000210814 [0,1,0,0,0,0|1,1,0]=3 1968 B12R1.1 Cc1ccc(cc1)NCCCF 34a_100000124888_100011934791 [0,1,0,0,0,0|3,0,0]=4 1969 B12R1.1 Cc1ccc(cc1)NCCCO 34a_100000124888_100000230001 [0,1,0,0,0,0|2,0,0]=3 1970 B12R1.1 Cc1ccc(cc1)OCCC#N 7a_100000210336_100000184422 [0,1,0,0,0,0|2,0,0]=3 1971 B12R1.1 Cc1ccc(cc1)OCCCF 34a_100000210336_100011934791 [0,1,0,0,0,0|2,0,0]=3 1972 B12R1.1 Cc1ccc(cc1)OCCCF 7a_100000210336_100011934791 [0,1,0,0,0,0|2,0,0]=3 1973 B12R1.1 Cc1ccc(cc1)OCCCO 34a_100000210336_100000230001 [0,1,0,0,0,0|1,0,0]=2 1974 B12R1.1 Cc1ccc(cc1)OCCCO 7a_100000210336_100011215043 [0,1,0,0,0,0|1,0,0]=2 1975 B12R1.1 Cc1ccc(cc1)OCCN[13CH3] 2230a_100020666663_200025704644 [0,1,0,0,0,0|2,0,0]=3 1976 B12R1.1 Cc1ccc(cc1)OCCN[13CH3] 34a_100020666663_200025704644 [0,1,0,0,0,0|2,0,0]=3 1977 B12R1.1 Cc1ccc(cc1)OCCO[13CH3] 34a_100011219107_200025704644 [0,1,0,0,0,0|1,0,0]=2 1978 B12R1.1 Cc1ccc(cc1)OCCO[13CH3] 7a_100011219107_200025704644 [0,1,0,0,0,0|1,0,0]=2 1979 B12R1.1 Cc1ccc(cc1)OCCS[13CH3] 62a_100000183172_200025704644 [0,1,0,0,0,0|1,1,0]=3 1980 B12R1.1 Cc1ccc(cc1)OCCS[13CH3] 62a_200025704644_100000183172 [0,1,0,0,0,0|1,1,0]=3 1981 B12R1.1 Cc1ccc(cc1)SCCC#N 62a_100000186775_100011215226 [0,1,0,0,0,0|2,1,0]=4 1982 B12R1.1 Cc1ccc(cc1)SCCC#N 62a_100011215226_100000186775 [0,1,0,0,0,0|2,1,0]=4 1983 B12R1.1 Cc1ccc(cc1)SCCCF 62a_100000186775_100011934791 [0,1,0,0,0,0|2,1,0]=4 1984 B12R1.1 Cc1ccc(cc1)SCCCF 62a_100011934791_100000186775 [0,1,0,0,0,0|2,1,0]=4 1985 B12R1.1 Cc1ccc(cc1)SCCCO 62a_100000186775_100011215043 [0,1,0,0,0,0|1,1,0]=3 1986 B12R1.1 Cc1ccc(cc1)SCCCO 62a_100011215043_100000186775 [0,1,0,0,0,0|1,1,0]=3 1987 B12R1.1 Cc1ccc(cc1)SCCN[13CH3] 2230a_100000739754_200025704644 [0,1,0,0,0,0|2,1,0]=4 1988 B12R1.1 Cc1ccc(cc1)SCCO[13CH3] 34a_200000230582_200025704644 [0,1,0,0,0,0|1,1,0]=3 1989 B12R1.1 Cc1ccc(cc1)SCCO[13CH3] 7a_200000230582_200025704644 [0,1,0,0,0,0|1,1,0]=3 1990 B12R1.1 Cc1ccc(cn1)CNCCO 2230a_100016997473_100016987292 [0,1,0,0,0,0|3,0,0]=4 1991 B12R1.1 Cc1ccc(cn1)CNCCO 270004a_100000210304_100000743784 [0,1,0,0,0,0|3,0,0]=4 1992 B12R1.1 Cc1ccc(cn1)CNCCO 34a_100000740942_100000211926 [0,1,0,0,0,0|3,0,0]=4 1993 B12R1.1 Cc1ccc(cn1)CNCCO 34a_100016990907_100016987292 [0,1,0,0,0,0|3,0,0]=4 1994 B12R1.1 Cc1ccc(cn1)COCCBr 34a_100000211926_100016987292 [0,1,0,0,0,0|3,0,0]=4 1995 B12R1.1 Cc1ccc(cn1)COCCF 34a_100011248133_100011217306 [0,1,0,0,0,0|3,0,0]=4 1996 B12R1.1 Cc1ccc(cn1)COCCN 34a_100000210304_100016987292 [0,1,0,0,0,0|3,0,0]=4 1997 B12R1.1 Cc1ccc(cn1)COCCO 34a_100011248133_100000211926 [0,1,0,0,0,0|2,0,0]=3 1998 B12R1.1 Cc1ccc(cn1)CSCCO 62a_100000211926_100016987292 [0,1,0,0,0,0|2,1,0]=4 1999 B12R1.1 Cc1ccc(cn1)CSCCO 62a_100016987292_100000211926 [0,1,0,0,0,0|2,1,0]=4 2000 B12R1.1 Cc1ccc(cn1)OCCC#N 7a_100000745506_100000184422 [0,1,0,0,0,0|3,0,0]=4 2001 B12R1.1 Cc1ccc(cn1)OCCCF 34a_100000745506_100011934791 [0,1,0,0,0,0|3,0,0]=4 2002 B12R1.1 Cc1ccc(cn1)OCCCF 7a_100000745506_100011934791 [0,1,0,0,0,0|3,0,0]=4 2003 B12R1.1 Cc1ccc(cn1)OCCCO 34a_100000745506_100000230001 [0,1,0,0,0,0|2,0,0]=3 2004 B12R1.1 Cc1ccc(cn1)OCCCO 7a_100000745506_100011215043 [0,1,0,0,0,0|2,0,0]=3 2005 B12R1.1 Cc1ccc(cn1)SCCCO 62a_100000751577_100011215043 [0,1,0,0,0,0|2,1,0]=4 2006 B12R1.1 Cc1ccc(cn1)SCCCO 62a_100011215043_100000751577 [0,1,0,0,0,0|2,1,0]=4 2007 B12R1.1 Cc1ccc(nc1)CNCCO 207a_100000210304_100000050478 [0,1,0,0,0,0|3,0,0]=4 2008 B12R1.1 Cc1ccc(nc1)CNCCO 2230a_100016997473_100000691093 [0,1,0,0,0,0|3,0,0]=4 2009 B12R1.1 Cc1ccc(nc1)CNCCO 270004a_100000210304_100000050478 [0,1,0,0,0,0|3,0,0]=4 2010 B12R1.1 Cc1ccc(nc1)CNCCO 34a_100015187455_100000211926 [0,1,0,0,0,0|3,0,0]=4 2011 B12R1.1 Cc1ccc(nc1)CNCCO 34a_100016990907_100000691093 [0,1,0,0,0,0|3,0,0]=4 2012 B12R1.1 Cc1ccc(nc1)COCCBr 34a_100000211926_100000691093 [0,1,0,0,0,0|3,0,0]=4 2013 B12R1.1 Cc1ccc(nc1)COCCF 34a_100012001401_100011217306 [0,1,0,0,0,0|3,0,0]=4 2014 B12R1.1 Cc1ccc(nc1)COCCN 34a_100000210304_100000691093 [0,1,0,0,0,0|3,0,0]=4 2015 B12R1.1 Cc1ccc(nc1)COCCO 34a_100012001401_100000211926 [0,1,0,0,0,0|2,0,0]=3 2016 B12R1.1 Cc1ccc(nc1)CSCCO 62a_100000211926_100000691093 [0,1,0,0,0,0|2,1,0]=4 2017 B12R1.1 Cc1ccc(nc1)CSCCO 62a_100000691093_100000211926 [0,1,0,0,0,0|2,1,0]=4 2018 B12R1.1 Cc1ccc(nc1)OCCCF 34a_100000759353_100011934791 [0,1,0,0,0,0|3,0,0]=4 2019 B12R1.1 Cc1ccc(nc1)OCCCO 34a_100000759353_100000230001 [0,1,0,0,0,0|2,0,0]=3 2020 B12R1.1 Cc1ccc(nc1)SCCCO 62a_100011192072_100011215043 [0,1,0,0,0,0|2,1,0]=4 2021 B12R1.1 Cc1ccc(nc1)SCCCO 62a_100011215043_100000754016 [0,1,0,0,0,0|2,1,0]=4 2022 B12R1.1 Cc1cnc(cn1)COCCO 34a_100011273949_100000211926 [0,1,0,0,0,0|3,0,0]=4 2023 B12R1.1 Cc1ncc(cn1)COCCO 34a_100011746891_100000211926 [0,1,0,0,0,0|3,0,0]=4 2024 B12R1.1 Cc1ncc(cn1)OCCCO 34a_100000062939_100000230001 [0,1,0,0,0,0|3,0,0]=4 2025 B12R1.1 Cc1ncc(cn1)OCCCO 7a_100000062939_100011215043 [0,1,0,0,0,0|3,0,0]=4 2026 B12R1.1 Clc1ccc(cc1)COCCBr 34a_100000211926_100000694040 [0,1,0,0,0,0|1,0,0]=2 2027 B12R1.1 Clc1ccc(cn1)COCCBr 34a_100000211926_100000735431 [0,1,0,0,0,0|2,0,0]=3 2028 B12R1.1 Clc1ccc(nc1)COCCBr 34a_100000211926_100012066911 [0,1,0,0,0,0|2,0,0]=3 2029 B12R1.1 Clc1ccc(nn1)COCCBr 34a_100000211926_100016992710 [0,1,0,0,0,0|3,0,0]=4 2030 B12R1.1 FCCCNc1ccc(cc1)Br 2230a_100000210018_100011934791 [0,1,0,0,0,0|2,1,0]=4 2031 B12R1.1 FCCCNc1ccc(cc1)Br 34a_100000210018_100011934791 [0,1,0,0,0,0|2,1,0]=4 2032 B12R1.1 FCCCNc1ccc(cc1)Cl 2230a_100000210052_100011934791 [0,1,0,0,0,0|2,0,0]=3 2033 B12R1.1 FCCCNc1ccc(cc1)Cl 34a_100000210052_100011934791 [0,1,0,0,0,0|2,0,0]=3 2034 B12R1.1 FCCCNc1ccc(cc1)F 34a_100000185862_100011934791 [0,1,0,0,0,0|2,1,0]=4 2035 B12R1.1 FCCCNc1ccc(cc1)I 34a_100000185761_100011934791 [0,1,0,0,0,0|2,1,0]=4 2036 B12R1.1 FCCCOc1ccc(cc1)Br 34a_100000185759_100011934791 [0,1,0,0,0,0|1,1,0]=3 2037 B12R1.1 FCCCOc1ccc(cc1)Br 7a_100000185759_100011934791 [0,1,0,0,0,0|1,1,0]=3 2038 B12R1.1 FCCCOc1ccc(cc1)Cl 34a_100000210216_100011934791 [0,1,0,0,0,0|1,0,0]=2 2039 B12R1.1 FCCCOc1ccc(cc1)Cl 7a_100000210216_100011934791 [0,1,0,0,0,0|1,0,0]=2 2040 B12R1.1 FCCCOc1ccc(cc1)F 34a_100000210339_100011934791 [0,1,0,0,0,0|1,1,0]=3 2041 B12R1.1 FCCCOc1ccc(cc1)I 34a_100000212066_100011934791 [0,1,0,0,0,0|1,1,0]=3 2042 B12R1.1 FCCCOc1ccc(cc1)I 7a_100000212066_100011934791 [0,1,0,0,0,0|1,1,0]=3 2043 B12R1.1 FCCCOc1ccc(cn1)Cl 34a_100011215309_100011934791 [0,1,0,0,0,0|2,0,0]=3 2044 B12R1.1 FCCCOc1ccc(cn1)F 34a_100000742473_100011934791 [0,1,0,0,0,0|2,1,0]=4 2045 B12R1.1 FCCCOc1ccc(nc1)Br 34a_100000685995_100011934791 [0,1,0,0,0,0|2,1,0]=4 2046 B12R1.1 FCCCOc1ccc(nc1)Br 7a_100000685995_100011934791 [0,1,0,0,0,0|2,1,0]=4 2047 B12R1.1 FCCCOc1ccc(nc1)Cl 34a_100000744096_100011934791 [0,1,0,0,0,0|2,0,0]=3 2048 B12R1.1 FCCCOc1ccc(nc1)Cl 7a_100000744096_100011934791 [0,1,0,0,0,0|2,0,0]=3 2049 B12R1.1 FCCCOc1ccc(nc1)F 34a_100000688820_100011934791 [0,1,0,0,0,0|2,1,0]=4 2050 B12R1.1 FCCCOc1ccc(nc1)F 7a_100000688820_100011934791 [0,1,0,0,0,0|2,1,0]=4 2051 B12R1.1 FCCCOc1ccc(nc1)I 34a_100000687607_100011934791 [0,1,0,0,0,0|2,1,0]=4 2052 B12R1.1 FCCCOc1ccc(nc1)I 7a_100000687607_100011934791 [0,1,0,0,0,0|2,1,0]=4 2053 B12R1.1 FCCCOc1cnc(cn1)Cl 34a_100015839800_100011934791 [0,1,0,0,0,0|3,0,0]=4 2054 B12R1.1 FCCCOc1cnc(nc1)Cl 34a_100000092845_100011934791 [0,1,0,0,0,0|3,0,0]=4 2055 B12R1.1 FCCCOc1cnc(nc1)Cl 7a_100000092845_100011934791 [0,1,0,0,0,0|3,0,0]=4 2056 B12R1.1 FCCCSc1ccc(cc1)Br 62a_100000752885_100011934791 [0,1,0,0,0,0|1,2,0]=4 2057 B12R1.1 FCCCSc1ccc(cc1)Br 62a_100011934791_100000752885 [0,1,0,0,0,0|1,2,0]=4 2058 B12R1.1 FCCCSc1ccc(cc1)Cl 62a_100000755918_100011934791 [0,1,0,0,0,0|1,1,0]=3 2059 B12R1.1 FCCCSc1ccc(cc1)Cl 62a_100011934791_100000755918 [0,1,0,0,0,0|1,1,0]=3 2060 B12R1.1 FCCCSc1ccc(cc1)F 62a_100000211213_100011934791 [0,1,0,0,0,0|1,2,0]=4 2061 B12R1.1 FCCCSc1ccc(cc1)F 62a_100011934791_100000211213 [0,1,0,0,0,0|1,2,0]=4 2062 B12R1.1 FCCCSc1ccc(cn1)Cl 62a_100011356976_100011934791 [0,1,0,0,0,0|2,1,0]=4 2063 B12R1.1 FCCCSc1ccc(cn1)Cl 62a_100011934791_100011356976 [0,1,0,0,0,0|2,1,0]=4 2064 B12R1.1 FCCCSc1ccc(nc1)Cl 62a_100000034144_100011934791 [0,1,0,0,0,0|2,1,0]=4 2065 B12R1.1 FCCCSc1ccc(nc1)Cl 62a_100011934791_100000034144 [0,1,0,0,0,0|2,1,0]=4 2066 B12R1.1 FCCNCc1ccc(cc1)Br 2230a_100000174875_100011217306 [0,1,0,0,0,0|2,1,0]=4 2067 B12R1.1 FCCNCc1ccc(cc1)Br 34a_100000174875_100011217306 [0,1,0,0,0,0|2,1,0]=4 2068 B12R1.1 FCCNCc1ccc(cc1)Br 34a_100000724931_100000189115 [0,1,0,0,0,0|2,1,0]=4 2069 B12R1.1 FCCNCc1ccc(cc1)Cl 2230a_100000174871_100011217306 [0,1,0,0,0,0|2,0,0]=3 2070 B12R1.1 FCCNCc1ccc(cc1)Cl 34a_100000174871_100011217306 [0,1,0,0,0,0|2,0,0]=3 2071 B12R1.1 FCCNCc1ccc(cc1)Cl 34a_100000724931_100000694040 [0,1,0,0,0,0|2,0,0]=3 2072 B12R1.1 FCCNCc1ccc(cc1)F 2230a_100000174882_100011217306 [0,1,0,0,0,0|2,1,0]=4 2073 B12R1.1 FCCNCc1ccc(cc1)F 34a_100000174882_100011217306 [0,1,0,0,0,0|2,1,0]=4 2074 B12R1.1 FCCNCc1ccc(cc1)F 34a_100000724931_100000198546 [0,1,0,0,0,0|2,1,0]=4 2075 B12R1.1 FCCNCc1ccc(cc1)I 2230a_100016989417_100011217306 [0,1,0,0,0,0|2,1,0]=4 2076 B12R1.1 FCCNCc1ccc(cc1)I 34a_100000724931_100000189116 [0,1,0,0,0,0|2,1,0]=4 2077 B12R1.1 FCCNCc1ccc(cc1)I 34a_100016989417_100011217306 [0,1,0,0,0,0|2,1,0]=4 2078 B12R1.1 FCCNCc1ccc(cn1)Cl 34a_100000697193_100011217306 [0,1,0,0,0,0|3,0,0]=4 2079 B12R1.1 FCCNCc1ccc(cn1)Cl 34a_100000724931_100012066911 [0,1,0,0,0,0|3,0,0]=4 2080 B12R1.1 FCCNCc1ccc(nc1)Cl 2230a_100000735879_100011217306 [0,1,0,0,0,0|3,0,0]=4 2081 B12R1.1 FCCNCc1ccc(nc1)Cl 34a_100000724931_100000735431 [0,1,0,0,0,0|3,0,0]=4 2082 B12R1.1 FCCNCc1ccc(nc1)Cl 34a_100000735879_100011217306 [0,1,0,0,0,0|3,0,0]=4 2083 B12R1.1 FCCOCc1ccc(cc1)Br 34a_100000695286_100011217306 [0,1,0,0,0,0|1,1,0]=3 2084 B12R1.1 FCCOCc1ccc(cc1)Cl 34a_100000211118_100011217306 [0,1,0,0,0,0|1,0,0]=2 2085 B12R1.1 FCCOCc1ccc(cc1)Cl 7a_100000211118_100011217306 [0,1,0,0,0,0|1,0,0]=2 2086 B12R1.1 FCCOCc1ccc(cc1)F 34a_100000210977_100011217306 [0,1,0,0,0,0|1,1,0]=3 2087 B12R1.1 FCCOCc1ccc(cc1)F 7a_100000210977_100011217306 [0,1,0,0,0,0|1,1,0]=3 2088 B12R1.1 FCCOCc1ccc(cc1)I 34a_100000690907_100011217306 [0,1,0,0,0,0|1,1,0]=3 2089 B12R1.1 FCCOCc1ccc(cc1)I 7a_100000690907_100011217306 [0,1,0,0,0,0|1,1,0]=3 2090 B12R1.1 FCCOCc1ccc(cn1)Br 34a_100000754261_100011217306 [0,1,0,0,0,0|2,1,0]=4 2091 B12R1.1 FCCOCc1ccc(cn1)Cl 34a_100000703999_100011217306 [0,1,0,0,0,0|2,0,0]=3 2092 B12R1.1 FCCOCc1ccc(cn1)F 34a_100011999454_100011217306 [0,1,0,0,0,0|2,1,0]=4 2093 B12R1.1 FCCOCc1ccc(nc1)Br 34a_100009816760_100011217306 [0,1,0,0,0,0|2,1,0]=4 2094 B12R1.1 FCCOCc1ccc(nc1)Br 7a_100009816760_100011217306 [0,1,0,0,0,0|2,1,0]=4 2095 B12R1.1 FCCOCc1ccc(nc1)Cl 34a_100000755211_100011217306 [0,1,0,0,0,0|2,0,0]=3 2096 B12R1.1 FCCOCc1ccc(nc1)Cl 7a_100000755211_100011217306 [0,1,0,0,0,0|2,0,0]=3 2097 B12R1.1 FCCOCc1ccc(nc1)F 34a_100000079959_100011217306 [0,1,0,0,0,0|2,1,0]=4 2098 B12R1.1 FCCOCc1cnc(cn1)Cl 34a_100012002382_100011217306 [0,1,0,0,0,0|3,0,0]=4 2099 B12R1.1 FCCOCc1cnc(nc1)Cl 34a_100009855073_100011217306 [0,1,0,0,0,0|3,0,0]=4 2100 B12R1.1 FCCOCc1cnc(nc1)Cl 7a_100009855073_100011217306 [0,1,0,0,0,0|3,0,0]=4 2101 B12R1.1 FCCSCc1ccc(cc1)Br 62a_100000189115_100011217306 [0,1,0,0,0,0|1,2,0]=4 2102 B12R1.1 FCCSCc1ccc(cc1)Br 62a_100011217306_100000189115 [0,1,0,0,0,0|1,2,0]=4 2103 B12R1.1 FCCSCc1ccc(cc1)Cl 62a_100000187161_100011217306 [0,1,0,0,0,0|1,1,0]=3 2104 B12R1.1 FCCSCc1ccc(cc1)Cl 62a_100011217306_100000187161 [0,1,0,0,0,0|1,1,0]=3 2105 B12R1.1 FCCSCc1ccc(cc1)F 62a_100000198546_100011217306 [0,1,0,0,0,0|1,2,0]=4 2106 B12R1.1 FCCSCc1ccc(cc1)F 62a_100011217306_100000187164 [0,1,0,0,0,0|1,2,0]=4 2107 B12R1.1 FCCSCc1ccc(cc1)I 62a_100000189116_100011217306 [0,1,0,0,0,0|1,2,0]=4 2108 B12R1.1 FCCSCc1ccc(cc1)I 62a_100011217306_100000189116 [0,1,0,0,0,0|1,2,0]=4 2109 B12R1.1 FCCSCc1ccc(cn1)Cl 62a_100011217306_100000697101 [0,1,0,0,0,0|2,1,0]=4 2110 B12R1.1 FCCSCc1ccc(cn1)Cl 62a_100012066911_100011217306 [0,1,0,0,0,0|2,1,0]=4 2111 B12R1.1 FCCSCc1ccc(nc1)Cl 62a_100000735431_100011217306 [0,1,0,0,0,0|2,1,0]=4 2112 B12R1.1 FCCSCc1ccc(nc1)Cl 62a_100011217306_100000735431 [0,1,0,0,0,0|2,1,0]=4 2113 B12R1.1 FCNCCc1ccc(cc1)Br 34a_100000755846_100015361967 [0,1,0,0,0,0|2,1,0]=4 2114 B12R1.1 FCNCCc1ccc(cc1)Cl 34a_100000185265_100015361967 [0,1,0,0,0,0|2,0,0]=3 2115 B12R1.1 FCNCCc1ccc(cc1)F 34a_100000199005_100015361967 [0,1,0,0,0,0|2,1,0]=4 2116 B12R1.1 FCOCCc1ccc(cc1)Br 34a_100000766406_100015361967 [0,1,0,0,0,0|2,1,0]=4 2117 B12R1.1 FCOCCc1ccc(cc1)Br 7a_100000766406_100015361967 [0,1,0,0,0,0|2,1,0]=4 2118 B12R1.1 FCOCCc1ccc(cc1)Cl 34a_100011219627_100015361967 [0,1,0,0,0,0|2,0,0]=3 2119 B12R1.1 FCOCCc1ccc(cc1)Cl 7a_100011219627_100015361967 [0,1,0,0,0,0|2,0,0]=3 2120 B12R1.1 FCOCCc1ccc(cc1)F 34a_100000754732_100015361967 [0,1,0,0,0,0|2,1,0]=4 2121 B12R1.1 FCOCCc1ccc(cc1)F 7a_100000754732_100015361967 [0,1,0,0,0,0|2,1,0]=4 2122 B12R1.1 FCOCCc1ccc(cc1)I 34a_100012291149_100015361967 [0,1,0,0,0,0|2,1,0]=4 2123 B12R1.1 FCOCCc1ccc(cc1)I 7a_100012291149_100015361967 [0,1,0,0,0,0|2,1,0]=4 2124 B12R1.1 FCOCCc1ccc(nc1)Cl 34a_100009880866_100015361967 [0,1,0,0,0,0|3,0,0]=4 2125 B12R1.1 FCOCCc1ccc(nc1)Cl 7a_100009880866_100015361967 [0,1,0,0,0,0|3,0,0]=4 2126 B12R1.1 FCSCCc1ccc(cc1)Br 62a_100011740612_100015361967 [0,1,0,0,0,0|2,1,0]=4 2127 B12R1.1 FCSCCc1ccc(cc1)Br 62a_100015361967_100011740612 [0,1,0,0,0,0|2,1,0]=4 2128 B12R1.1 FCSCCc1ccc(cc1)Cl 62a_100011713675_100015361967 [0,1,0,0,0,0|2,0,0]=3 2129 B12R1.1 FCSCCc1ccc(cc1)Cl 62a_100015361967_100011713675 [0,1,0,0,0,0|2,0,0]=3 2130 B12R1.1 FCSCCc1ccc(cc1)F 62a_100011217392_100015361967 [0,1,0,0,0,0|2,1,0]=4 2131 B12R1.1 FCSCCc1ccc(cc1)F 62a_100015361967_100011217392 [0,1,0,0,0,0|2,1,0]=4 2132 B12R1.1 Fc1ccc(cc1)COCCBr 34a_100000211926_100000198546 [0,1,0,0,0,0|1,1,0]=3 2133 B12R1.1 Fc1ccc(cn1)COCCBr 34a_100000211926_100000099788 [0,1,0,0,0,0|2,1,0]=4 2134 B12R1.1 Fc1ccc(nc1)COCCBr 34a_100000211926_100000703193 [0,1,0,0,0,0|2,1,0]=4 2135 B12R1.1 N#CCCNc1ccc(cc1)Br 2230a_100000210018_100011215226 [0,1,0,0,0,0|2,1,0]=4 2136 B12R1.1 N#CCCNc1ccc(cc1)Cl 2230a_100000210052_100011215226 [0,1,0,0,0,0|2,0,0]=3 2137 B12R1.1 N#CCCOc1ccc(cc1)Br 7a_100000185759_100000184422 [0,1,0,0,0,0|1,1,0]=3 2138 B12R1.1 N#CCCOc1ccc(cc1)Cl 7a_100000210216_100000184422 [0,1,0,0,0,0|1,0,0]=2 2139 B12R1.1 N#CCCOc1ccc(cc1)I 7a_100000212066_100000184422 [0,1,0,0,0,0|1,1,0]=3 2140 B12R1.1 N#CCCOc1ccc(cc1)O 271570a_203496583355_100000172056 [0,1,0,0,0,0|2,0,0]=3 2141 B12R1.1 N#CCCOc1ccc(nc1)Br 7a_100000685995_100000184422 [0,1,0,0,0,0|2,1,0]=4 2142 B12R1.1 N#CCCOc1ccc(nc1)Cl 7a_100000744096_100000184422 [0,1,0,0,0,0|2,0,0]=3 2143 B12R1.1 N#CCCOc1ccc(nc1)F 7a_100000688820_100000184422 [0,1,0,0,0,0|2,1,0]=4 2144 B12R1.1 N#CCCOc1ccc(nc1)I 7a_100000687607_100000184422 [0,1,0,0,0,0|2,1,0]=4 2145 B12R1.1 N#CCCOc1ccc(nc1)N 7a_100015188713_100000184422 [0,1,0,0,0,0|3,0,0]=4 2146 B12R1.1 N#CCCOc1cnc(nc1)Cl 7a_100000092845_100000184422 [0,1,0,0,0,0|3,0,0]=4 2147 B12R1.1 N#CCCSc1ccc(cc1)Br 62a_100000752885_100011215226 [0,1,0,0,0,0|1,2,0]=4 2148 B12R1.1 N#CCCSc1ccc(cc1)Br 62a_100011215226_100000752885 [0,1,0,0,0,0|1,2,0]=4 2149 B12R1.1 N#CCCSc1ccc(cc1)Cl 62a_100000755918_100011215226 [0,1,0,0,0,0|1,1,0]=3 2150 B12R1.1 N#CCCSc1ccc(cc1)Cl 62a_100011215226_100000755918 [0,1,0,0,0,0|1,1,0]=3 2151 B12R1.1 N#CCCSc1ccc(cc1)F 62a_100000211213_100011215226 [0,1,0,0,0,0|1,2,0]=4 2152 B12R1.1 N#CCCSc1ccc(cc1)F 62a_100011215226_100000211213 [0,1,0,0,0,0|1,2,0]=4 2153 B12R1.1 N#CCCSc1ccc(cc1)N 62a_100000185761_100011215226 [0,1,0,0,0,0|2,1,0]=4 2154 B12R1.1 N#CCCSc1ccc(cc1)N 62a_100011215226_100000185761 [0,1,0,0,0,0|2,1,0]=4 2155 B12R1.1 N#CCCSc1ccc(cc1)O 62a_100011215226_100000185759 [0,1,0,0,0,0|2,1,0]=4 2156 B12R1.1 N#CCCSc1ccc(cn1)Cl 62a_100011215226_100011356976 [0,1,0,0,0,0|2,1,0]=4 2157 B12R1.1 N#CCCSc1ccc(cn1)Cl 62a_100011356976_100011215226 [0,1,0,0,0,0|2,1,0]=4 2158 B12R1.1 N#CCCSc1ccc(nc1)Cl 62a_100000034144_100011215226 [0,1,0,0,0,0|2,1,0]=4 2159 B12R1.1 N#CCCSc1ccc(nc1)Cl 62a_100011215226_100000034144 [0,1,0,0,0,0|2,1,0]=4 2160 B12R1.1 N#CCNCc1ccc(cc1)Cl 2230a_100000174871_100011215382 [0,1,0,0,0,0|2,0,1]=4 2161 B12R1.1 N#CCOCc1ccc(cc1)Cl 7a_100000211118_100011215382 [0,1,0,0,0,0|1,0,1]=3 2162 B12R1.1 N#CCOCc1ccc(cc1)F 7a_100000210977_100011215382 [0,1,0,0,0,0|1,1,1]=4 2163 B12R1.1 N#CCOCc1ccc(cc1)I 7a_100000690907_100011215382 [0,1,0,0,0,0|1,1,1]=4 2164 B12R1.1 N#CCOCc1ccc(nc1)Cl 7a_100000755211_100011215382 [0,1,0,0,0,0|2,0,1]=4 2165 B12R1.1 N#CCSCc1ccc(cc1)Cl 62a_100000187161_100011215382 [0,1,0,0,0,0|1,1,1]=4 2166 B12R1.1 N#CCSCc1ccc(cc1)Cl 62a_100011215382_100000187161 [0,1,0,0,0,0|1,1,1]=4 2167 B12R1.1 N#CSCSc1ccc(cc1)Cl 62a_100000211825_100000755918 [0,1,0,0,0,0|1,1,1]=4 2168 B12R1.1 N#CSCSc1ccc(cc1)Cl 62a_100000755918_100000211825 [0,1,0,0,0,0|1,1,1]=4 2169 B12R1.1 NCCOCc1ccc(cc1)Br 34a_100000210304_100000189115 [0,1,0,0,0,0|1,1,0]=3 2170 B12R1.1 NCCOCc1ccc(cc1)Cl 34a_100000210304_100000694040 [0,1,0,0,0,0|1,0,0]=2 2171 B12R1.1 NCCOCc1ccc(cc1)F 34a_100000210304_100000198546 [0,1,0,0,0,0|1,1,0]=3 2172 B12R1.1 NCCOCc1ccc(cc1)I 34a_100000210304_100000189116 [0,1,0,0,0,0|1,1,0]=3 2173 B12R1.1 NCCOCc1ccc(cn1)Br 34a_100000210304_100000702658 [0,1,0,0,0,0|2,1,0]=4 2174 B12R1.1 NCCOCc1ccc(cn1)Cl 34a_100000210304_100012066911 [0,1,0,0,0,0|2,0,0]=3 2175 B12R1.1 NCCOCc1ccc(cn1)F 34a_100000210304_100000703193 [0,1,0,0,0,0|2,1,0]=4 2176 B12R1.1 NCCOCc1ccc(nc1)Br 34a_100000210304_100009831999 [0,1,0,0,0,0|2,1,0]=4 2177 B12R1.1 NCCOCc1ccc(nc1)Cl 34a_100000210304_100000735431 [0,1,0,0,0,0|2,0,0]=3 2178 B12R1.1 NCCOCc1ccc(nc1)F 34a_100000210304_100000099788 [0,1,0,0,0,0|2,1,0]=4 2179 B12R1.1 NCCOCc1ccc(nn1)Cl 34a_100000210304_100016992710 [0,1,0,0,0,0|3,0,0]=4 2180 B12R1.1 Nc1ccc(cc1)CCOCF 34a_100011204434_100015361967 [0,1,0,0,0,0|3,0,0]=4 2181 B12R1.1 Nc1ccc(cc1)COCC=O 34a_100011215238_200009817547 [0,1,0,0,0,0|1,0,2]=4 2182 B12R1.1 Nc1ccc(cc1)COCCF 34a_100011215238_100011217306 [0,1,0,0,0,0|2,0,0]=3 2183 B12R1.1 Nc1ccc(cc1)COCCO 34a_100011215238_100000211926 [0,1,0,0,0,0|1,0,0]=2 2184 B12R1.1 Nc1ccc(cc1)OCCCF 34a_100000185829_100011934791 [0,1,0,0,0,0|2,0,0]=3 2185 B12R1.1 Nc1ccc(cc1)OCCCO 34a_100000185829_100000230001 [0,1,0,0,0,0|1,0,0]=2 2186 B12R1.1 Nc1ccc(cc1)SCCCF 62a_100000185761_100011934791 [0,1,0,0,0,0|2,1,0]=4 2187 B12R1.1 Nc1ccc(cc1)SCCCF 62a_100011934791_100000185761 [0,1,0,0,0,0|2,1,0]=4 2188 B12R1.1 Nc1ccc(cc1)SCCCO 62a_100000185761_100011215043 [0,1,0,0,0,0|1,1,0]=3 2189 B12R1.1 Nc1ccc(cc1)SCCCO 62a_100011215043_100000185761 [0,1,0,0,0,0|1,1,0]=3 2190 B12R1.1 Nc1ccc(cn1)COCCF 34a_100000704267_100011217306 [0,1,0,0,0,0|3,0,0]=4 2191 B12R1.1 Nc1ccc(cn1)COCCO 34a_100000704267_100000211926 [0,1,0,0,0,0|2,0,0]=3 2192 B12R1.1 Nc1ccc(cn1)OCCCF 34a_100015188713_100011934791 [0,1,0,0,0,0|3,0,0]=4 2193 B12R1.1 Nc1ccc(cn1)OCCCF 7a_100015188713_100011934791 [0,1,0,0,0,0|3,0,0]=4 2194 B12R1.1 Nc1ccc(cn1)OCCCO 34a_100015188713_100000230001 [0,1,0,0,0,0|2,0,0]=3 2195 B12R1.1 Nc1ccc(cn1)OCCCO 7a_100015188713_100011215043 [0,1,0,0,0,0|2,0,0]=3 2196 B12R1.1 Nc1ccc(cn1)SCCCO 62a_100000187370_100011215043 [0,1,0,0,0,0|2,1,0]=4 2197 B12R1.1 Nc1ccc(cn1)SCCCO 62a_100011215043_100000187370 [0,1,0,0,0,0|2,1,0]=4 2198 B12R1.1 Nc1ccc(nc1)COCCF 34a_100011998161_100011217306 [0,1,0,0,0,0|3,0,0]=4 2199 B12R1.1 Nc1ccc(nc1)COCCO 34a_100011998161_100000211926 [0,1,0,0,0,0|2,0,0]=3 2200 B12R1.1 Nc1ccc(nc1)OCCCF 34a_100000729260_100011934791 [0,1,0,0,0,0|3,0,0]=4 2201 B12R1.1 Nc1ccc(nc1)OCCCO 34a_100000729260_100000230001 [0,1,0,0,0,0|2,0,0]=3 2202 B12R1.1 Nc1ccc(nc1)SCCCO 62a_100000737798_100011215043 [0,1,0,0,0,0|2,1,0]=4 2203 B12R1.1 Nc1ccc(nc1)SCCCO 62a_100011215043_100000737798 [0,1,0,0,0,0|2,1,0]=4 2204 B12R1.1 Nc1ncc(cn1)OCCCO 34a_100000087137_100000230001 [0,1,0,0,0,0|3,0,0]=4 2205 B12R1.1 Nc1ncc(cn1)OCCCO 7a_100000087137_100011215043 [0,1,0,0,0,0|3,0,0]=4 2206 B12R1.1 O=CCNCc1ccc(cc1)Cl 2230a_100000174871_200015260668 [0,1,0,0,0,0|1,0,2]=4 2207 B12R1.1 O=CCNCc1ccc(cc1)Cl 34a_100000174871_200009817547 [0,1,0,0,0,0|1,0,2]=4 2208 B12R1.1 O=CCOCc1ccc(cc1)Br 34a_100000695286_200009817547 [0,1,0,0,0,0|0,1,2]=4 2209 B12R1.1 O=CCOCc1ccc(cc1)Cl 34a_100000211118_200009817547 [0,1,0,0,0,0|0,0,2]=3 2210 B12R1.1 O=CCOCc1ccc(cc1)Cl 7a_100000211118_200015260668 [0,1,0,0,0,0|0,0,2]=3 2211 B12R1.1 O=CCOCc1ccc(cc1)F 34a_100000210977_200009817547 [0,1,0,0,0,0|0,1,2]=4 2212 B12R1.1 O=CCOCc1ccc(cc1)F 7a_100000210977_200015260668 [0,1,0,0,0,0|0,1,2]=4 2213 B12R1.1 O=CCOCc1ccc(cc1)I 34a_100000690907_200009817547 [0,1,0,0,0,0|0,1,2]=4 2214 B12R1.1 O=CCOCc1ccc(cc1)I 7a_100000690907_200015260668 [0,1,0,0,0,0|0,1,2]=4 2215 B12R1.1 O=CCOCc1ccc(cn1)Cl 34a_100000703999_200009817547 [0,1,0,0,0,0|1,0,2]=4 2216 B12R1.1 O=CCOCc1ccc(nc1)Cl 34a_100000755211_200009817547 [0,1,0,0,0,0|1,0,2]=4 2217 B12R1.1 O=CCOCc1ccc(nc1)Cl 7a_100000755211_200015260668 [0,1,0,0,0,0|1,0,2]=4 2218 B12R1.1 O=CCSCc1ccc(cc1)Cl 62a_100000187161_200015260668 [0,1,0,0,0,0|0,1,2]=4 2219 B12R1.1 O=CCSCc1ccc(cc1)Cl 62a_200015260668_100000187161 [0,1,0,0,0,0|0,1,2]=4 2220 B12R1.1 O=c1ccc(c[nH]1)COCCF 34a_100011999846_100011217306 [0,1,0,0,0,0|3,0,0]=4 2221 B12R1.1 O=c1ccc(c[nH]1)COCCO 34a_100011999846_100000211926 [0,1,0,0,0,0|2,0,0]=3 2222 B12R1.1 O=c1ccc(c[nH]1)OCCCF 34a_100000075641_100011934791 [0,1,0,0,0,0|3,0,0]=4 2223 B12R1.1 O=c1ccc(c[nH]1)OCCCO 34a_100000075641_100000230001 [0,1,0,0,0,0|2,0,0]=3 2224 B12R1.1 O=c1ccc(c[nH]1)SCCCO 62a_100000212171_100011215043 [0,1,0,0,0,0|2,1,0]=4 2225 B12R1.1 O=c1ccc(c[nH]1)SCCCO 62a_100011215043_100000212171 [0,1,0,0,0,0|2,1,0]=4 2226 B12R1.1 OCCCNc1ccc(cc1)Br 2230a_100000210018_100000230001 [0,1,0,0,0,0|1,1,0]=3 2227 B12R1.1 OCCCNc1ccc(cc1)Br 34a_100000210018_100000230001 [0,1,0,0,0,0|1,1,0]=3 2228 B12R1.1 OCCCNc1ccc(cc1)Cl 2230a_100000210052_100000230001 [0,1,0,0,0,0|1,0,0]=2 2229 B12R1.1 OCCCNc1ccc(cc1)Cl 34a_100000210052_100000230001 [0,1,0,0,0,0|1,0,0]=2 2230 B12R1.1 OCCCNc1ccc(cc1)F 34a_100000185862_100000230001 [0,1,0,0,0,0|1,1,0]=3 2231 B12R1.1 OCCCNc1ccc(cc1)I 34a_100000185761_100000230001 [0,1,0,0,0,0|1,1,0]=3 2232 B12R1.1 OCCCNc1ccc(cc1)O 34a_100000185829_100000230001 [0,1,0,0,0,0|2,0,0]=3 2233 B12R1.1 OCCCNc1ccc(cn1)Br 27a_100000182051_100000686858 [0,1,0,0,0,0|2,1,0]=4 2234 B12R1.1 OCCCNc1ncc(cn1)Cl 27a_100000182051_100011356929 [0,1,0,0,0,0|3,0,0]=4 2235 B12R1.1 OCCCOc1ccc(cc1)Br 34a_100000185759_100000230001 [0,1,0,0,0,0|0,1,0]=2 2236 B12R1.1 OCCCOc1ccc(cc1)Br 7a_100000185759_100011215043 [0,1,0,0,0,0|0,1,0]=2 2237 B12R1.1 OCCCOc1ccc(cc1)Cl 34a_100000210216_100000230001 [0,1,0,0,0,0|0,0,0]=1 2238 B12R1.1 OCCCOc1ccc(cc1)Cl 7a_100000210216_100011215043 [0,1,0,0,0,0|0,0,0]=1 2239 B12R1.1 OCCCOc1ccc(cc1)F 34a_100000210339_100000230001 [0,1,0,0,0,0|0,1,0]=2 2240 B12R1.1 OCCCOc1ccc(cc1)I 34a_100000212066_100000230001 [0,1,0,0,0,0|0,1,0]=2 2241 B12R1.1 OCCCOc1ccc(cc1)I 7a_100000212066_100011215043 [0,1,0,0,0,0|0,1,0]=2 2242 B12R1.1 OCCCOc1ccc(cc1)O 271570a_203496583355_100000756186 [0,1,0,0,0,0|1,0,0]=2 2243 B12R1.1 OCCCOc1ccc(cn1)Cl 34a_100011215309_100000230001 [0,1,0,0,0,0|1,0,0]=2 2244 B12R1.1 OCCCOc1ccc(cn1)F 34a_100000742473_100000230001 [0,1,0,0,0,0|1,1,0]=3 2245 B12R1.1 OCCCOc1ccc(nc1)Br 34a_100000685995_100000230001 [0,1,0,0,0,0|1,1,0]=3 2246 B12R1.1 OCCCOc1ccc(nc1)Br 7a_100000685995_100011215043 [0,1,0,0,0,0|1,1,0]=3 2247 B12R1.1 OCCCOc1ccc(nc1)Cl 34a_100000744096_100000230001 [0,1,0,0,0,0|1,0,0]=2 2248 B12R1.1 OCCCOc1ccc(nc1)Cl 7a_100000744096_100011215043 [0,1,0,0,0,0|1,0,0]=2 2249 B12R1.1 OCCCOc1ccc(nc1)F 34a_100000688820_100000230001 [0,1,0,0,0,0|1,1,0]=3 2250 B12R1.1 OCCCOc1ccc(nc1)F 7a_100000688820_100011215043 [0,1,0,0,0,0|1,1,0]=3 2251 B12R1.1 OCCCOc1ccc(nc1)I 34a_100000687607_100000230001 [0,1,0,0,0,0|1,1,0]=3 2252 B12R1.1 OCCCOc1ccc(nc1)I 7a_100000687607_100011215043 [0,1,0,0,0,0|1,1,0]=3 2253 B12R1.1 OCCCOc1cnc(cn1)Br 34a_100011934580_100000230001 [0,1,0,0,0,0|2,1,0]=4 2254 B12R1.1 OCCCOc1cnc(cn1)Cl 34a_100015839800_100000230001 [0,1,0,0,0,0|2,0,0]=3 2255 B12R1.1 OCCCOc1cnc(nc1)Br 34a_100000730009_100000230001 [0,1,0,0,0,0|2,1,0]=4 2256 B12R1.1 OCCCOc1cnc(nc1)Br 7a_100000730009_100011215043 [0,1,0,0,0,0|2,1,0]=4 2257 B12R1.1 OCCCOc1cnc(nc1)Cl 34a_100000092845_100000230001 [0,1,0,0,0,0|2,0,0]=3 2258 B12R1.1 OCCCOc1cnc(nc1)Cl 7a_100000092845_100011215043 [0,1,0,0,0,0|2,0,0]=3 2259 B12R1.1 OCCCOc1cnc(nc1)F 34a_200009874573_100000230001 [0,1,0,0,0,0|2,1,0]=4 2260 B12R1.1 OCCCOc1cnc(nc1)F 7a_200009874573_100011215043 [0,1,0,0,0,0|2,1,0]=4 2261 B12R1.1 OCCCOc1ncc(cn1)F 34a_100011934040_100000230001 [0,1,0,0,0,0|2,1,0]=4 2262 B12R1.1 OCCCSc1ccc(cc1)Br 62a_100000752885_100011215043 [0,1,0,0,0,0|0,2,0]=3 2263 B12R1.1 OCCCSc1ccc(cc1)Br 62a_100011215043_100000752885 [0,1,0,0,0,0|0,2,0]=3 2264 B12R1.1 OCCCSc1ccc(cc1)Cl 62a_100000755918_100011215043 [0,1,0,0,0,0|0,1,0]=2 2265 B12R1.1 OCCCSc1ccc(cc1)Cl 62a_100011215043_100000755918 [0,1,0,0,0,0|0,1,0]=2 2266 B12R1.1 OCCCSc1ccc(cc1)F 62a_100000211213_100011215043 [0,1,0,0,0,0|0,2,0]=3 2267 B12R1.1 OCCCSc1ccc(cc1)F 62a_100011215043_100000211213 [0,1,0,0,0,0|0,2,0]=3 2268 B12R1.1 OCCCSc1ccc(cc1)O 62a_100011215043_100000185759 [0,1,0,0,0,0|1,1,0]=3 2269 B12R1.1 OCCCSc1ccc(cn1)Br 62a_100000686858_100011215043 [0,1,0,0,0,0|1,2,0]=4 2270 B12R1.1 OCCCSc1ccc(cn1)Br 62a_100011215043_100000686858 [0,1,0,0,0,0|1,2,0]=4 2271 B12R1.1 OCCCSc1ccc(cn1)Cl 62a_100011215043_100011356976 [0,1,0,0,0,0|1,1,0]=3 2272 B12R1.1 OCCCSc1ccc(cn1)Cl 62a_100011356976_100011215043 [0,1,0,0,0,0|1,1,0]=3 2273 B12R1.1 OCCCSc1ccc(cn1)F 62a_100000744514_100011215043 [0,1,0,0,0,0|1,2,0]=4 2274 B12R1.1 OCCCSc1ccc(cn1)F 62a_100011215043_100000744514 [0,1,0,0,0,0|1,2,0]=4 2275 B12R1.1 OCCCSc1ccc(cn1)O 62a_100000685995_100011215043 [0,1,0,0,0,0|2,1,0]=4 2276 B12R1.1 OCCCSc1ccc(cn1)O 62a_100011215043_100000744096 [0,1,0,0,0,0|2,1,0]=4 2277 B12R1.1 OCCCSc1ccc(nc1)Br 62a_100009814638_100011215043 [0,1,0,0,0,0|1,2,0]=4 2278 B12R1.1 OCCCSc1ccc(nc1)Br 62a_100011215043_100009814638 [0,1,0,0,0,0|1,2,0]=4 2279 B12R1.1 OCCCSc1ccc(nc1)Cl 62a_100000034144_100011215043 [0,1,0,0,0,0|1,1,0]=3 2280 B12R1.1 OCCCSc1ccc(nc1)Cl 62a_100011215043_100000034144 [0,1,0,0,0,0|1,1,0]=3 2281 B12R1.1 OCCCSc1ccc(nc1)F 62a_100000042367_100011215043 [0,1,0,0,0,0|1,2,0]=4 2282 B12R1.1 OCCCSc1ccc(nc1)F 62a_100011215043_100000042367 [0,1,0,0,0,0|1,2,0]=4 2283 B12R1.1 OCCCSc1ccc(nn1)Cl 62a_100000068654_100011215043 [0,1,0,0,0,0|2,1,0]=4 2284 B12R1.1 OCCCSc1ccc(nn1)Cl 62a_100011215043_100000068654 [0,1,0,0,0,0|2,1,0]=4 2285 B12R1.1 OCCCSc1cnc(cn1)Cl 62a_100010214907_100011215043 [0,1,0,0,0,0|2,1,0]=4 2286 B12R1.1 OCCCSc1cnc(cn1)Cl 62a_100011215043_100010214907 [0,1,0,0,0,0|2,1,0]=4 2287 B12R1.1 OCCCSc1cnc(nc1)Cl 62a_100000059775_100011215043 [0,1,0,0,0,0|2,1,0]=4 2288 B12R1.1 OCCCSc1cnc(nc1)Cl 62a_100011215043_100000059775 [0,1,0,0,0,0|2,1,0]=4 2289 B12R1.1 OCCCSc1ncc(cn1)Cl 62a_100011215043_100011356929 [0,1,0,0,0,0|2,1,0]=4 2290 B12R1.1 OCCCSc1ncc(cn1)Cl 62a_100011356929_100011215043 [0,1,0,0,0,0|2,1,0]=4 2291 B12R1.1 OCCNCc1ccc(cc1)Br 207a_100000210304_100000186029 [0,1,0,0,0,0|1,1,0]=3 2292 B12R1.1 OCCNCc1ccc(cc1)Br 2230a_100000174875_100000211926 [0,1,0,0,0,0|1,1,0]=3 2293 B12R1.1 OCCNCc1ccc(cc1)Br 2230a_100016997473_100011217064 [0,1,0,0,0,0|1,1,0]=3 2294 B12R1.1 OCCNCc1ccc(cc1)Br 270004a_100000210304_100000186029 [0,1,0,0,0,0|1,1,0]=3 2295 B12R1.1 OCCNCc1ccc(cc1)Br 34a_100000174875_100000211926 [0,1,0,0,0,0|1,1,0]=3 2296 B12R1.1 OCCNCc1ccc(cc1)Br 34a_100016990907_100000189115 [0,1,0,0,0,0|1,1,0]=3 2297 B12R1.1 OCCNCc1ccc(cc1)Cl 207a_100000210304_100000189385 [0,1,0,0,0,0|1,0,0]=2 2298 B12R1.1 OCCNCc1ccc(cc1)Cl 2230a_100000174871_100000211926 [0,1,0,0,0,0|1,0,0]=2 2299 B12R1.1 OCCNCc1ccc(cc1)Cl 2230a_100016997473_100000694040 [0,1,0,0,0,0|1,0,0]=2 2300 B12R1.1 OCCNCc1ccc(cc1)Cl 270004a_100000210304_100000189385 [0,1,0,0,0,0|1,0,0]=2 2301 B12R1.1 OCCNCc1ccc(cc1)Cl 34a_100000174871_100000211926 [0,1,0,0,0,0|1,0,0]=2 2302 B12R1.1 OCCNCc1ccc(cc1)Cl 34a_100016990907_100000694040 [0,1,0,0,0,0|1,0,0]=2 2303 B12R1.1 OCCNCc1ccc(cc1)F 207a_100000210304_100000210084 [0,1,0,0,0,0|1,1,0]=3 2304 B12R1.1 OCCNCc1ccc(cc1)F 2230a_100000174882_100000211926 [0,1,0,0,0,0|1,1,0]=3 2305 B12R1.1 OCCNCc1ccc(cc1)F 2230a_100016997473_100000198546 [0,1,0,0,0,0|1,1,0]=3 2306 B12R1.1 OCCNCc1ccc(cc1)F 270004a_100000210304_100000210084 [0,1,0,0,0,0|1,1,0]=3 2307 B12R1.1 OCCNCc1ccc(cc1)F 34a_100000174882_100000211926 [0,1,0,0,0,0|1,1,0]=3 2308 B12R1.1 OCCNCc1ccc(cc1)F 34a_100016990907_100000198546 [0,1,0,0,0,0|1,1,0]=3 2309 B12R1.1 OCCNCc1ccc(cc1)I 207a_100000210304_100000188517 [0,1,0,0,0,0|1,1,0]=3 2310 B12R1.1 OCCNCc1ccc(cc1)I 2230a_100016989417_100000211926 [0,1,0,0,0,0|1,1,0]=3 2311 B12R1.1 OCCNCc1ccc(cc1)I 2230a_100016997473_100000189116 [0,1,0,0,0,0|1,1,0]=3 2312 B12R1.1 OCCNCc1ccc(cc1)I 34a_100016989417_100000211926 [0,1,0,0,0,0|1,1,0]=3 2313 B12R1.1 OCCNCc1ccc(cc1)I 34a_100016990907_100000189116 [0,1,0,0,0,0|1,1,0]=3 2314 B12R1.1 OCCNCc1ccc(cc1)O 271570a_203496583355_100000186819 [0,1,0,0,0,0|2,0,0]=3 2315 B12R1.1 OCCNCc1ccc(cc1)O 34a_100000185549_100000211926 [0,1,0,0,0,0|2,0,0]=3 2316 B12R1.1 OCCNCc1ccc(cn1)Br 207a_100000210304_100000754260 [0,1,0,0,0,0|2,1,0]=4 2317 B12R1.1 OCCNCc1ccc(cn1)Br 2230a_100016997473_100000702658 [0,1,0,0,0,0|2,1,0]=4 2318 B12R1.1 OCCNCc1ccc(cn1)Br 270004a_100000210304_100000754260 [0,1,0,0,0,0|2,1,0]=4 2319 B12R1.1 OCCNCc1ccc(cn1)Br 34a_100015188789_100000211926 [0,1,0,0,0,0|2,1,0]=4 2320 B12R1.1 OCCNCc1ccc(cn1)Br 34a_100016990907_100000702658 [0,1,0,0,0,0|2,1,0]=4 2321 B12R1.1 OCCNCc1ccc(cn1)Cl 207a_100000210304_100011361569 [0,1,0,0,0,0|2,0,0]=3 2322 B12R1.1 OCCNCc1ccc(cn1)Cl 2230a_100016997473_100012066911 [0,1,0,0,0,0|2,0,0]=3 2323 B12R1.1 OCCNCc1ccc(cn1)Cl 270004a_100000210304_100011361569 [0,1,0,0,0,0|2,0,0]=3 2324 B12R1.1 OCCNCc1ccc(cn1)Cl 34a_100000697193_100000211926 [0,1,0,0,0,0|2,0,0]=3 2325 B12R1.1 OCCNCc1ccc(cn1)Cl 34a_100016990907_100012066911 [0,1,0,0,0,0|2,0,0]=3 2326 B12R1.1 OCCNCc1ccc(cn1)F 207a_100000210304_100011934744 [0,1,0,0,0,0|2,1,0]=4 2327 B12R1.1 OCCNCc1ccc(cn1)F 2230a_100016997473_100000703193 [0,1,0,0,0,0|2,1,0]=4 2328 B12R1.1 OCCNCc1ccc(cn1)F 270004a_100000210304_100011934744 [0,1,0,0,0,0|2,1,0]=4 2329 B12R1.1 OCCNCc1ccc(cn1)F 34a_100016990907_100000703193 [0,1,0,0,0,0|2,1,0]=4 2330 B12R1.1 OCCNCc1ccc(cn1)F 34a_100020620131_100000211926 [0,1,0,0,0,0|2,1,0]=4 2331 B12R1.1 OCCNCc1ccc(nc1)Br 2230a_100009817727_100000211926 [0,1,0,0,0,0|2,1,0]=4 2332 B12R1.1 OCCNCc1ccc(nc1)Br 2230a_100016997473_100009831999 [0,1,0,0,0,0|2,1,0]=4 2333 B12R1.1 OCCNCc1ccc(nc1)Br 34a_100009817727_100000211926 [0,1,0,0,0,0|2,1,0]=4 2334 B12R1.1 OCCNCc1ccc(nc1)Br 34a_100016990907_100009831999 [0,1,0,0,0,0|2,1,0]=4 2335 B12R1.1 OCCNCc1ccc(nc1)Cl 2230a_100000735879_100000211926 [0,1,0,0,0,0|2,0,0]=3 2336 B12R1.1 OCCNCc1ccc(nc1)Cl 2230a_100016997473_100000735431 [0,1,0,0,0,0|2,0,0]=3 2337 B12R1.1 OCCNCc1ccc(nc1)Cl 34a_100000735879_100000211926 [0,1,0,0,0,0|2,0,0]=3 2338 B12R1.1 OCCNCc1ccc(nc1)Cl 34a_100016990907_100000735431 [0,1,0,0,0,0|2,0,0]=3 2339 B12R1.1 OCCNCc1ccc(nc1)F 2230a_100000101913_100000211926 [0,1,0,0,0,0|2,1,0]=4 2340 B12R1.1 OCCNCc1ccc(nc1)F 2230a_100016997473_100009820150 [0,1,0,0,0,0|2,1,0]=4 2341 B12R1.1 OCCNCc1ccc(nc1)F 34a_100000101913_100000211926 [0,1,0,0,0,0|2,1,0]=4 2342 B12R1.1 OCCNCc1ccc(nc1)F 34a_100016990907_100000099788 [0,1,0,0,0,0|2,1,0]=4 2343 B12R1.1 OCCNCc1ccc(nc1)O 207a_100000210304_100011361521 [0,1,0,0,0,0|3,0,0]=4 2344 B12R1.1 OCCNCc1ccc(nc1)O 2230a_100000757128_100000211926 [0,1,0,0,0,0|3,0,0]=4 2345 B12R1.1 OCCNCc1ccc(nn1)Cl 2230a_100016997473_100016992710 [0,1,0,0,0,0|3,0,0]=4 2346 B12R1.1 OCCNCc1ccc(nn1)Cl 270004a_100000210304_100000044651 [0,1,0,0,0,0|3,0,0]=4 2347 B12R1.1 OCCNCc1ccc(nn1)Cl 34a_100016990907_100016992710 [0,1,0,0,0,0|3,0,0]=4 2348 B12R1.1 OCCNCc1cnc(cn1)Cl 270004a_100000210304_100012001714 [0,1,0,0,0,0|3,0,0]=4 2349 B12R1.1 OCCOCc1ccc(cc1)Br 34a_100000695286_100000211926 [0,1,0,0,0,0|0,1,0]=2 2350 B12R1.1 OCCOCc1ccc(cc1)Cl 34a_100000211118_100000211926 [0,1,0,0,0,0|0,0,0]=1 2351 B12R1.1 OCCOCc1ccc(cc1)Cl 7a_100000211118_100000211926 [0,1,0,0,0,0|0,0,0]=1 2352 B12R1.1 OCCOCc1ccc(cc1)F 34a_100000210977_100000211926 [0,1,0,0,0,0|0,1,0]=2 2353 B12R1.1 OCCOCc1ccc(cc1)F 7a_100000210977_100000211926 [0,1,0,0,0,0|0,1,0]=2 2354 B12R1.1 OCCOCc1ccc(cc1)I 34a_100000690907_100000211926 [0,1,0,0,0,0|0,1,0]=2 2355 B12R1.1 OCCOCc1ccc(cc1)I 7a_100000690907_100000211926 [0,1,0,0,0,0|0,1,0]=2 2356 B12R1.1 OCCOCc1ccc(cn1)Br 34a_100000754261_100000211926 [0,1,0,0,0,0|1,1,0]=3 2357 B12R1.1 OCCOCc1ccc(cn1)Cl 34a_100000703999_100000211926 [0,1,0,0,0,0|1,0,0]=2 2358 B12R1.1 OCCOCc1ccc(cn1)F 34a_100011999454_100000211926 [0,1,0,0,0,0|1,1,0]=3 2359 B12R1.1 OCCOCc1ccc(nc1)Br 34a_100009816760_100000211926 [0,1,0,0,0,0|1,1,0]=3 2360 B12R1.1 OCCOCc1ccc(nc1)Br 7a_100009816760_100000211926 [0,1,0,0,0,0|1,1,0]=3 2361 B12R1.1 OCCOCc1ccc(nc1)Cl 34a_100000755211_100000211926 [0,1,0,0,0,0|1,0,0]=2 2362 B12R1.1 OCCOCc1ccc(nc1)Cl 7a_100000755211_100000211926 [0,1,0,0,0,0|1,0,0]=2 2363 B12R1.1 OCCOCc1ccc(nc1)F 34a_100000079959_100000211926 [0,1,0,0,0,0|1,1,0]=3 2364 B12R1.1 OCCOCc1cnc(cn1)Cl 34a_100012002382_100000211926 [0,1,0,0,0,0|2,0,0]=3 2365 B12R1.1 OCCOCc1cnc(nc1)Cl 34a_100009855073_100000211926 [0,1,0,0,0,0|2,0,0]=3 2366 B12R1.1 OCCOCc1cnc(nc1)Cl 7a_100009855073_100000211926 [0,1,0,0,0,0|2,0,0]=3 2367 B12R1.1 OCCSCc1ccc(cc1)Br 62a_100000189115_100000211926 [0,1,0,0,0,0|0,2,0]=3 2368 B12R1.1 OCCSCc1ccc(cc1)Br 62a_100000211926_100000189115 [0,1,0,0,0,0|0,2,0]=3 2369 B12R1.1 OCCSCc1ccc(cc1)Cl 62a_100000187161_100000211926 [0,1,0,0,0,0|0,1,0]=2 2370 B12R1.1 OCCSCc1ccc(cc1)Cl 62a_100000211926_100000187161 [0,1,0,0,0,0|0,1,0]=2 2371 B12R1.1 OCCSCc1ccc(cc1)F 62a_100000198546_100000211926 [0,1,0,0,0,0|0,2,0]=3 2372 B12R1.1 OCCSCc1ccc(cc1)F 62a_100000211926_100000187164 [0,1,0,0,0,0|0,2,0]=3 2373 B12R1.1 OCCSCc1ccc(cc1)I 62a_100000189116_100000211926 [0,1,0,0,0,0|0,2,0]=3 2374 B12R1.1 OCCSCc1ccc(cc1)I 62a_100000211926_100000189116 [0,1,0,0,0,0|0,2,0]=3 2375 B12R1.1 OCCSCc1ccc(cn1)Br 62a_100000211926_100000702658 [0,1,0,0,0,0|1,2,0]=4 2376 B12R1.1 OCCSCc1ccc(cn1)Br 62a_100000702658_100000211926 [0,1,0,0,0,0|1,2,0]=4 2377 B12R1.1 OCCSCc1ccc(cn1)Cl 62a_100000211926_100000697101 [0,1,0,0,0,0|1,1,0]=3 2378 B12R1.1 OCCSCc1ccc(cn1)Cl 62a_100012066911_100000211926 [0,1,0,0,0,0|1,1,0]=3 2379 B12R1.1 OCCSCc1ccc(cn1)F 62a_100000211926_100000703193 [0,1,0,0,0,0|1,2,0]=4 2380 B12R1.1 OCCSCc1ccc(cn1)F 62a_100000703193_100000211926 [0,1,0,0,0,0|1,2,0]=4 2381 B12R1.1 OCCSCc1ccc(nc1)Br 62a_100000211926_100009831999 [0,1,0,0,0,0|1,2,0]=4 2382 B12R1.1 OCCSCc1ccc(nc1)Br 62a_100009831999_100000211926 [0,1,0,0,0,0|1,2,0]=4 2383 B12R1.1 OCCSCc1ccc(nc1)Cl 62a_100000211926_100000735431 [0,1,0,0,0,0|1,1,0]=3 2384 B12R1.1 OCCSCc1ccc(nc1)Cl 62a_100000735431_100000211926 [0,1,0,0,0,0|1,1,0]=3 2385 B12R1.1 OCCSCc1ccc(nc1)F 62a_100000211926_100000099788 [0,1,0,0,0,0|1,2,0]=4 2386 B12R1.1 OCCSCc1ccc(nc1)F 62a_100009820150_100000211926 [0,1,0,0,0,0|1,2,0]=4 2387 B12R1.1 OCCSCc1ccc(nn1)Cl 62a_100000211926_100016992710 [0,1,0,0,0,0|2,1,0]=4 2388 B12R1.1 OCCSCc1ccc(nn1)Cl 62a_100016992710_100000211926 [0,1,0,0,0,0|2,1,0]=4 2389 B12R1.1 Oc1ccc(cc1)CCNCF 34a_100000743037_100015361967 [0,1,0,0,0,0|3,0,0]=4 2390 B12R1.1 Oc1ccc(cc1)CCSCF 62a_100009816426_100015361967 [0,1,0,0,0,0|3,0,0]=4 2391 B12R1.1 Oc1ccc(cc1)CCSCF 62a_100015361967_100009816426 [0,1,0,0,0,0|3,0,0]=4 2392 B12R1.1 Oc1ccc(cc1)CNCCF 34a_100000185549_100011217306 [0,1,0,0,0,0|3,0,0]=4 2393 B12R1.1 Oc1ccc(cc1)NCCCF 34a_100000185829_100011934791 [0,1,0,0,0,0|3,0,0]=4 2394 B12R1.1 Oc1ccc(cc1)SCCCF 62a_100011934791_100000185759 [0,1,0,0,0,0|2,1,0]=4 2395 B12R1.1 [13CH3]NCC#Cc1ccc(cc1)Cl 2230a_100011352944_200025704644 [0,1,0,0,0,0|2,0,1]=4 2396 B12R1.1 [13CH3]NCC#Cc1ccc(cc1)Cl 34a_100011352944_200025704644 [0,1,0,0,0,0|2,0,1]=4 2397 B12R1.1 [13CH3]NCCCc1ccc(cc1)Br 2230a_100011297623_200025704644 [0,1,0,0,0,0|2,1,0]=4 2398 B12R1.1 [13CH3]NCCCc1ccc(cc1)Br 34a_100011297623_200025704644 [0,1,0,0,0,0|2,1,0]=4 2399 B12R1.1 [13CH3]NCCCc1ccc(cc1)Cl 2230a_100000748451_200025704644 [0,1,0,0,0,0|2,0,0]=3 2400 B12R1.1 [13CH3]NCCCc1ccc(cc1)Cl 34a_100000748451_200025704644 [0,1,0,0,0,0|2,0,0]=3 2401 B12R1.1 [13CH3]NCCCc1ccc(cc1)F 2230a_100025745824_200025704644 [0,1,0,0,0,0|2,1,0]=4 2402 B12R1.1 [13CH3]NCCCc1ccc(cc1)F 34a_100025745824_200025704644 [0,1,0,0,0,0|2,1,0]=4 2403 B12R1.1 [13CH3]NCCOc1ccc(cc1)Br 2230a_100000746992_200025704644 [0,1,0,0,0,0|1,1,0]=3 2404 B12R1.1 [13CH3]NCCOc1ccc(cc1)Br 34a_100000746992_200025704644 [0,1,0,0,0,0|1,1,0]=3 2405 B12R1.1 [13CH3]NCCOc1ccc(cc1)Cl 2230a_100000697975_200025704644 [0,1,0,0,0,0|1,0,0]=2 2406 B12R1.1 [13CH3]NCCOc1ccc(cc1)Cl 34a_100000697975_200025704644 [0,1,0,0,0,0|1,0,0]=2 2407 B12R1.1 [13CH3]NCCOc1ccc(cc1)F 2230a_100000737420_200025704644 [0,1,0,0,0,0|1,1,0]=3 2408 B12R1.1 [13CH3]NCCOc1ccc(cc1)F 34a_100000737420_200025704644 [0,1,0,0,0,0|1,1,0]=3 2409 B12R1.1 [13CH3]NCCSc1ccc(cc1)Br 2230a_100000184645_200025704644 [0,1,0,0,0,0|1,2,0]=4 2410 B12R1.1 [13CH3]NCCSc1ccc(cc1)Cl 2230a_100000174974_200025704644 [0,1,0,0,0,0|1,1,0]=3 2411 B12R1.1 [13CH3]OCC#Cc1ccc(cc1)Br 34a_100009814260_200025704644 [0,1,0,0,0,0|1,1,1]=4 2412 B12R1.1 [13CH3]OCC#Cc1ccc(cc1)Br 7a_100009814260_200025704644 [0,1,0,0,0,0|1,1,1]=4 2413 B12R1.1 [13CH3]OCC#Cc1ccc(cc1)F 34a_100011219116_200025704644 [0,1,0,0,0,0|1,1,1]=4 2414 B12R1.1 [13CH3]OCC#Cc1ccc(cc1)F 7a_100011219116_200025704644 [0,1,0,0,0,0|1,1,1]=4 2415 B12R1.1 [13CH3]OCCCc1ccc(cc1)Br 34a_100011709247_200025704644 [0,1,0,0,0,0|1,1,0]=3 2416 B12R1.1 [13CH3]OCCCc1ccc(cc1)Br 7a_100011709247_200025704644 [0,1,0,0,0,0|1,1,0]=3 2417 B12R1.1 [13CH3]OCCCc1ccc(cc1)Cl 34a_100011217485_200025704644 [0,1,0,0,0,0|1,0,0]=2 2418 B12R1.1 [13CH3]OCCCc1ccc(cc1)Cl 7a_100011217485_200025704644 [0,1,0,0,0,0|1,0,0]=2 2419 B12R1.1 [13CH3]OCCCc1ccc(cc1)F 34a_100000757351_200025704644 [0,1,0,0,0,0|1,1,0]=3 2420 B12R1.1 [13CH3]OCCCc1ccc(cc1)F 7a_100000757351_200025704644 [0,1,0,0,0,0|1,1,0]=3 2421 B12R1.1 [13CH3]OCCNc1ccc(nn1)Cl 34a_100000767036_200025704644 [0,1,0,0,0,0|3,0,0]=4 2422 B12R1.1 [13CH3]OCCOc1ccc(cc1)Br 34a_100000686261_200025704644 [0,1,0,0,0,0|0,1,0]=2 2423 B12R1.1 [13CH3]OCCOc1ccc(cc1)Br 7a_100000686261_200025704644 [0,1,0,0,0,0|0,1,0]=2 2424 B12R1.1 [13CH3]OCCOc1ccc(cc1)Cl 34a_100000237962_200025704644 [0,1,0,0,0,0|0,0,0]=1 2425 B12R1.1 [13CH3]OCCOc1ccc(cc1)Cl 7a_100000237962_200025704644 [0,1,0,0,0,0|0,0,0]=1 2426 B12R1.1 [13CH3]OCCOc1ccc(cc1)N 34a_100000754363_200025704644 [0,1,0,0,0,0|1,0,0]=2 2427 B12R1.1 [13CH3]OCCOc1ccc(cn1)N 34a_100102662783_200025704644 [0,1,0,0,0,0|2,0,0]=3 2428 B12R1.1 [13CH3]OCCOc1ccc(nc1)Br 34a_200013150534_200025704644 [0,1,0,0,0,0|1,1,0]=3 2429 B12R1.1 [13CH3]OCCOc1ccc(nc1)Br 7a_200013150534_200025704644 [0,1,0,0,0,0|1,1,0]=3 2430 B12R1.1 [13CH3]OCCSc1ccc(cc1)Cl 34a_100000230527_200025704644 [0,1,0,0,0,0|0,1,0]=2 2431 B12R1.1 [13CH3]OCCSc1ccc(cc1)Cl 7a_100000230527_200025704644 [0,1,0,0,0,0|0,1,0]=2 2432 B12R1.1 [13CH3]OCCSc1ccc(cc1)F 34a_200000230679_200025704644 [0,1,0,0,0,0|0,2,0]=3 2433 B12R1.1 [13CH3]OCCSc1ccc(cc1)F 7a_200000230679_200025704644 [0,1,0,0,0,0|0,2,0]=3 2434 B12R1.1 [13CH3]OCCSc1ccc(nn1)Cl 7a_100000215309_200025704644 [0,1,0,0,0,0|2,1,0]=4 2435 B12R1.1 [13CH3]SCCCc1ccc(cc1)Br 62a_100011713682_200025704644 [0,1,0,0,0,0|1,2,0]=4 2436 B12R1.1 [13CH3]SCCCc1ccc(cc1)Br 62a_200025704644_100011713682 [0,1,0,0,0,0|1,2,0]=4 2437 B12R1.1 [13CH3]SCCCc1ccc(cc1)Cl 62a_100000759440_200025704644 [0,1,0,0,0,0|1,1,0]=3 2438 B12R1.1 [13CH3]SCCCc1ccc(cc1)Cl 62a_200025704644_100000759440 [0,1,0,0,0,0|1,1,0]=3 2439 B12R1.1 [13CH3]SCCCc1ccc(cc1)F 62a_200011713563_200025704644 [0,1,0,0,0,0|1,2,0]=4 2440 B12R1.1 [13CH3]SCCCc1ccc(cc1)F 62a_200025704644_200011713563 [0,1,0,0,0,0|1,2,0]=4 2441 B12R1.1 [13CH3]SCCOc1ccc(cc1)Br 62a_100000183278_200025704644 [0,1,0,0,0,0|0,2,0]=3 2442 B12R1.1 [13CH3]SCCOc1ccc(cc1)Br 62a_200025704644_100000183278 [0,1,0,0,0,0|0,2,0]=3 2443 B12R1.1 [13CH3]SCCOc1ccc(cc1)Cl 62a_100000184122_200025704644 [0,1,0,0,0,0|0,1,0]=2 2444 B12R1.1 [13CH3]SCCOc1ccc(cc1)Cl 62a_200025704644_100000184122 [0,1,0,0,0,0|0,1,0]=2 2445 B12R1.1 [13CH3]SCCOc1ccc(cc1)F 62a_100000184936_200025704644 [0,1,0,0,0,0|0,2,0]=3 2446 B12R1.1 [13CH3]SCCOc1ccc(cc1)F 62a_200025704644_100000184936 [0,1,0,0,0,0|0,2,0]=3 2447 B12R1.1 [O-][n+]1ccc(cc1)COCCF 34a_100000031831_100011217306 [0,1,0,0,0,0|3,0,0]=4 2448 B12R1.1 [O-][n+]1ccc(cc1)COCCF 7a_100000031831_100011217306 [0,1,0,0,0,0|3,0,0]=4 2449 B12R1.1 [O-][n+]1ccc(cc1)COCCO 34a_100000031831_100000211926 [0,1,0,0,0,0|2,0,0]=3 2450 B12R1.1 [O-][n+]1ccc(cc1)COCCO 7a_100000031831_100000211926 [0,1,0,0,0,0|2,0,0]=3 2451 B12R1.1 [O-][n+]1ccc(cc1)SCCCO 62a_100011215043_100000039755 [0,1,0,0,0,0|2,1,0]=4 2452 B12R1.16 C#CCC(=O)c1ccc(cc1)Cl 1458a_100000210187_100000184674 [0,1,0,0,0,0|2,0,1]=4 2453 B12R1.16 C#CCN(C)c1ccc(cc1)Cl 2230a_100020629279_100000038162 [0,1,0,0,0,0|2,0,1]=4 2454 B12R1.16 C#CCN(C)c1ccc(cc1)Cl 34a_100020629279_100000184674 [0,1,0,0,0,0|2,0,1]=4 2455 B12R1.16 C=CCC(=O)c1ccc(cc1)Cl 1458a_100000210187_100000210623 [0,1,0,0,0,0|2,0,1]=4 2456 B12R1.16 C=CCN(C)c1ccc(cc1)Cl 2230a_100020629279_100000210623 [0,1,0,0,0,0|2,0,1]=4 2457 B12R1.16 C=CCN(C)c1ccc(cc1)Cl 269982a_100020629279_100000210623 [0,1,0,0,0,0|2,0,1]=4 2458 B12R1.16 C=CCN(C)c1ccc(cc1)Cl 34a_100020629279_100015514636 [0,1,0,0,0,0|2,0,1]=4 2459 B12R1.16 CC(SCF)c1ccc(cc1)Cl 62a_100000684792_100015361967 [0,1,0,0,0,0|3,0,0]=4 2460 B12R1.16 CC(SCF)c1ccc(cc1)Cl 62a_100015361967_100000684792 [0,1,0,0,0,0|3,0,0]=4 2461 B12R1.16 CCCC(=O)c1ccc(cc1)Br 1458a_100000185839_100000210303 [0,1,0,0,0,0|2,1,0]=4 2462 B12R1.16 CCCC(=O)c1ccc(cc1)C 1458a_100000188618_100000210303 [0,1,0,0,0,0|3,0,0]=4 2463 B12R1.16 CCCC(=O)c1ccc(cc1)Cl 1458a_100000210187_100000210303 [0,1,0,0,0,0|2,0,0]=3 2464 B12R1.16 CCCC(=O)c1ccc(cc1)F 1458a_100000187176_100000210303 [0,1,0,0,0,0|2,1,0]=4 2465 B12R1.16 CCCC(=O)c1ccc(cc1)I 1458a_100000187904_100000210303 [0,1,0,0,0,0|2,1,0]=4 2466 B12R1.16 CCCC(=O)c1ccc(cc1)O 1458a_100000212099_100000210303 [0,1,0,0,0,0|3,0,0]=4 2467 B12R1.16 CCCC(=O)c1ccc(cc1)O 271570a_203496583355_100011267722 [0,1,0,0,0,0|3,0,0]=4 2468 B12R1.16 CCCC(O)c1ccc(cc1)O 271570a_203496583355_100011350873 [0,1,0,0,0,0|3,0,0]=4 2469 B12R1.16 CCCN(C)c1ccc(cc1)Br 2230a_100000219623_100000210303 [0,1,0,0,0,0|2,1,0]=4 2470 B12R1.16 CCCN(C)c1ccc(cc1)Br 269982a_100000219623_100000210303 [0,1,0,0,0,0|2,1,0]=4 2471 B12R1.16 CCCN(C)c1ccc(cc1)Br 34a_100000219623_100000210303 [0,1,0,0,0,0|2,1,0]=4 2472 B12R1.16 CCCN(C)c1ccc(cc1)C 2230a_100000219977_100000210303 [0,1,0,0,0,0|3,0,0]=4 2473 B12R1.16 CCCN(C)c1ccc(cc1)C 269982a_100000219977_100000210303 [0,1,0,0,0,0|3,0,0]=4 2474 B12R1.16 CCCN(C)c1ccc(cc1)C 34a_100000219977_100000210303 [0,1,0,0,0,0|3,0,0]=4 2475 B12R1.16 CCCN(C)c1ccc(cc1)Cl 2230a_100020629279_100000210303 [0,1,0,0,0,0|2,0,0]=3 2476 B12R1.16 CCCN(C)c1ccc(cc1)Cl 269982a_100020629279_100000210303 [0,1,0,0,0,0|2,0,0]=3 2477 B12R1.16 CCCN(C)c1ccc(cc1)Cl 34a_100020629279_100000210303 [0,1,0,0,0,0|2,0,0]=3 2478 B12R1.16 CCCN(C)c1ccc(cc1)F 2230a_100000219829_100000210303 [0,1,0,0,0,0|2,1,0]=4 2479 B12R1.16 CCCN(C)c1ccc(cc1)F 269982a_100000219829_100000210303 [0,1,0,0,0,0|2,1,0]=4 2480 B12R1.16 CCCN(C)c1ccc(cc1)F 34a_100000219829_100000210303 [0,1,0,0,0,0|2,1,0]=4 2481 B12R1.16 CCCN(C)c1ccc(cc1)I 2230a_100000743151_100000210303 [0,1,0,0,0,0|2,1,0]=4 2482 B12R1.16 CCCN(C)c1ccc(cc1)I 269982a_100000743151_100000210303 [0,1,0,0,0,0|2,1,0]=4 2483 B12R1.16 CCCN(C)c1ccc(cc1)I 34a_100000743151_100000210303 [0,1,0,0,0,0|2,1,0]=4 2484 B12R1.16 CCCN(C)c1ccc(cc1)O 269982a_100000182112_100000210303 [0,1,0,0,0,0|3,0,0]=4 2485 B12R1.16 CCCN(C)c1ccc(cc1)O 34a_100000182112_100000210303 [0,1,0,0,0,0|3,0,0]=4 2486 B12R1.16 CCNC(=O)c1ccc(cc1)Cl 11a_100015525214_100000210187 [0,1,0,0,0,0|3,0,0]=4 2487 B12R1.16 CCNC(=O)c1ccc(cc1)Cl 240690a_100015525214_100000210187 [0,1,0,0,0,0|3,0,0]=4 2488 B12R1.16 CCNC(=O)c1ccc(cc1)Cl 527a_100015525214_100000210187 [0,1,0,0,0,0|3,0,0]=4 2489 B12R1.16 CCNC(C)c1ccc(cc1)Cl 2230a_100015525214_100000684792 [0,1,0,0,0,0|3,0,0]=4 2490 B12R1.16 CCNC(C)c1ccc(cc1)Cl 269862a_100015525214_100000185797 [0,1,0,0,0,0|3,0,0]=4 2491 B12R1.16 CCN[C@H](C)c1ccc(cc1)Cl 2230a_100015205461_100000210202 [0,1,0,0,0,0|3,0,0]=4 2492 B12R1.16 CCN[C@H](C)c1ccc(cc1)Cl 34a_100015205461_100000210202 [0,1,0,0,0,0|3,0,0]=4 2493 B12R1.16 CCO[C@@H](C)c1ccc(cc1)Cl 34a_100011852131_100000210202 [0,1,0,0,0,0|3,0,0]=4 2494 B12R1.16 CCO[C@@H](C)c1ccc(cc1)Cl 7a_100011852131_100000210202 [0,1,0,0,0,0|3,0,0]=4 2495 B12R1.16 CCSC(C)c1ccc(cc1)Cl 62a_100000210202_100000684792 [0,1,0,0,0,0|3,0,0]=4 2496 B12R1.16 CCSC(C)c1ccc(cc1)Cl 62a_100000684792_100000210202 [0,1,0,0,0,0|3,0,0]=4 2497 B12R1.16 CN(CC#N)c1ccc(cc1)Cl 2230a_100020629279_100011215382 [0,1,0,0,0,0|2,0,1]=4 2498 B12R1.16 CN(CC#N)c1ccc(cc1)Cl 269982a_100020629279_100011214920 [0,1,0,0,0,0|2,0,1]=4 2499 B12R1.16 CN(CC=O)c1ccc(cc1)Cl 2230a_100020629279_200015260668 [0,1,0,0,0,0|1,0,2]=4 2500 B12R1.16 CN(CC=O)c1ccc(cc1)Cl 269982a_100020629279_200015260668 [0,1,0,0,0,0|1,0,2]=4 2501 B12R1.16 CN(CC=O)c1ccc(cc1)Cl 34a_100020629279_200009817547 [0,1,0,0,0,0|1,0,2]=4 2502 B12R1.16 CN(CCF)c1ccc(cc1)Br 2230a_100000219623_100011217306 [0,1,0,0,0,0|2,1,0]=4 2503 B12R1.16 CN(CCF)c1ccc(cc1)Br 269982a_100000219623_100011217306 [0,1,0,0,0,0|2,1,0]=4 2504 B12R1.16 CN(CCF)c1ccc(cc1)Br 34a_100000219623_100011217306 [0,1,0,0,0,0|2,1,0]=4 2505 B12R1.16 CN(CCF)c1ccc(cc1)Cl 2230a_100020629279_100011217306 [0,1,0,0,0,0|2,0,0]=3 2506 B12R1.16 CN(CCF)c1ccc(cc1)Cl 269982a_100020629279_100011217306 [0,1,0,0,0,0|2,0,0]=3 2507 B12R1.16 CN(CCF)c1ccc(cc1)Cl 34a_100020629279_100011217306 [0,1,0,0,0,0|2,0,0]=3 2508 B12R1.16 CN(CCF)c1ccc(cc1)F 2230a_100000219829_100011217306 [0,1,0,0,0,0|2,1,0]=4 2509 B12R1.16 CN(CCF)c1ccc(cc1)F 269982a_100000219829_100011217306 [0,1,0,0,0,0|2,1,0]=4 2510 B12R1.16 CN(CCF)c1ccc(cc1)F 34a_100000219829_100011217306 [0,1,0,0,0,0|2,1,0]=4 2511 B12R1.16 CN(CCF)c1ccc(cc1)I 2230a_100000743151_100011217306 [0,1,0,0,0,0|2,1,0]=4 2512 B12R1.16 CN(CCF)c1ccc(cc1)I 269982a_100000743151_100011217306 [0,1,0,0,0,0|2,1,0]=4 2513 B12R1.16 CN(CCF)c1ccc(cc1)I 34a_100000743151_100011217306 [0,1,0,0,0,0|2,1,0]=4 2514 B12R1.16 CN(CCF)c1ccc(cc1)O 269982a_100000182112_100011217306 [0,1,0,0,0,0|3,0,0]=4 2515 B12R1.16 CN(CCF)c1ccc(cc1)O 34a_100000182112_100011217306 [0,1,0,0,0,0|3,0,0]=4 2516 B12R1.16 CN(CCO)c1ccc(cc1)Br 2230a_100000219623_100000211926 [0,1,0,0,0,0|1,1,0]=3 2517 B12R1.16 CN(CCO)c1ccc(cc1)Br 269982a_100000219623_100000211926 [0,1,0,0,0,0|1,1,0]=3 2518 B12R1.16 CN(CCO)c1ccc(cc1)Br 34a_100000219623_100000211926 [0,1,0,0,0,0|1,1,0]=3 2519 B12R1.16 CN(CCO)c1ccc(cc1)Cl 2230a_100020629279_100000211926 [0,1,0,0,0,0|1,0,0]=2 2520 B12R1.16 CN(CCO)c1ccc(cc1)Cl 269982a_100020629279_100000211926 [0,1,0,0,0,0|1,0,0]=2 2521 B12R1.16 CN(CCO)c1ccc(cc1)Cl 34a_100020629279_100000211926 [0,1,0,0,0,0|1,0,0]=2 2522 B12R1.16 CN(CCO)c1ccc(cc1)F 2230a_100000219829_100000211926 [0,1,0,0,0,0|1,1,0]=3 2523 B12R1.16 CN(CCO)c1ccc(cc1)F 269982a_100000219829_100000211926 [0,1,0,0,0,0|1,1,0]=3 2524 B12R1.16 CN(CCO)c1ccc(cc1)F 34a_100000219829_100000211926 [0,1,0,0,0,0|1,1,0]=3 2525 B12R1.16 CN(CCO)c1ccc(cc1)I 2230a_100000743151_100000211926 [0,1,0,0,0,0|1,1,0]=3 2526 B12R1.16 CN(CCO)c1ccc(cc1)I 269982a_100000743151_100000211926 [0,1,0,0,0,0|1,1,0]=3 2527 B12R1.16 CN(CCO)c1ccc(cc1)I 34a_100000743151_100000211926 [0,1,0,0,0,0|1,1,0]=3 2528 B12R1.16 CN(CCO)c1ccc(cc1)O 269982a_100000182112_100000211926 [0,1,0,0,0,0|2,0,0]=3 2529 B12R1.16 CN(CCO)c1ccc(cc1)O 34a_100000182112_100000211926 [0,1,0,0,0,0|2,0,0]=3 2530 B12R1.16 CN(CCO)c1ccc(cn1)Br 27a_100000210263_100000686858 [0,1,0,0,0,0|2,1,0]=4 2531 B12R1.16 CN(CCO)c1ncc(cn1)Cl 27a_100000210263_100011356929 [0,1,0,0,0,0|3,0,0]=4 2532 B12R1.16 CNCC(=O)c1ccc(cc1)Cl 7a_106832991635_100000211071 [0,1,0,0,0,0|3,0,0]=4 2533 B12R1.16 CNCC(O)c1ccc(cc1)Cl 2230a_100000736658_200000210301 [0,1,0,0,0,0|3,0,0]=4 2534 B12R1.16 CNCC(O)c1ccc(cc1)Cl 2230a_106832991635_200011996143 [0,1,0,0,0,0|3,0,0]=4 2535 B12R1.16 CNCC(O)c1ccc(cc1)Cl 34a_100000736658_200000210301 [0,1,0,0,0,0|3,0,0]=4 2536 B12R1.16 CNCC(O)c1ccc(cc1)Cl 34a_100102657272_200011996143 [0,1,0,0,0,0|3,0,0]=4 2537 B12R1.16 CNCC(O)c1ccc(cc1)Cl 7a_106832991635_200011996143 [0,1,0,0,0,0|3,0,0]=4 2538 B12R1.16 COCC(O)c1ccc(cc1)Cl 34a_100138415774_200011996143 [0,1,0,0,0,0|3,0,0]=4 2539 B12R1.16 COCN(C)c1ccc(cc1)Cl 2230a_100020629279_100000766300 [0,1,0,0,0,0|3,0,0]=4 2540 B12R1.16 COCN(C)c1ccc(cc1)Cl 269982a_100020629279_100000766300 [0,1,0,0,0,0|3,0,0]=4 2541 B12R1.16 COC[C@@H](N)c1ccc(cc1)Cl 34a_100009818818_200000210301 [0,1,0,0,0,0|3,0,0]=4 2542 B12R1.16 CSCC(=O)c1ccc(cc1)Cl 62a_100000211071_200000210301 [0,1,0,0,0,0|3,0,0]=4 2543 B12R1.16 CSCC(=O)c1ccc(cc1)Cl 62a_200000210301_100000211071 [0,1,0,0,0,0|3,0,0]=4 2544 B12R1.16 CSCC(O)c1ccc(cc1)Cl 62a_200000210301_200011996143 [0,1,0,0,0,0|3,0,0]=4 2545 B12R1.16 CSCC(O)c1ccc(cc1)Cl 62a_200011996143_200000210301 [0,1,0,0,0,0|3,0,0]=4 2546 B12R1.16 CSCN(C)c1ccc(cc1)Cl 2230a_100020629279_100011218213 [0,1,0,0,0,0|3,0,0]=4 2547 B12R1.16 CSCN(C)c1ccc(cc1)Cl 269982a_100020629279_100011218213 [0,1,0,0,0,0|3,0,0]=4 2548 B12R1.16 CSCN(C)c1ccc(cc1)Cl 34a_100020629279_100011218213 [0,1,0,0,0,0|3,0,0]=4 2549 B12R1.16 C[C@@H](NCF)c1ccc(cc1)Cl 34a_100015205461_100015361967 [0,1,0,0,0,0|3,0,0]=4 2550 B12R1.16 C[C@H](OCF)c1ccc(cc1)Cl 34a_100011852131_100015361967 [0,1,0,0,0,0|3,0,0]=4 2551 B12R1.16 C[C@H](OCF)c1ccc(cc1)Cl 7a_100011852131_100015361967 [0,1,0,0,0,0|3,0,0]=4 2552 B12R1.16 Cc1ccc(cc1)C(=O)CCF 1458a_100000188618_100011217306 [0,1,0,0,0,0|3,0,0]=4 2553 B12R1.16 Cc1ccc(cc1)C(=O)CCO 1458a_100000188618_100000211926 [0,1,0,0,0,0|2,0,0]=3 2554 B12R1.16 Cc1ccc(cc1)N(C)CCF 2230a_100000219977_100011217306 [0,1,0,0,0,0|3,0,0]=4 2555 B12R1.16 Cc1ccc(cc1)N(C)CCF 269982a_100000219977_100011217306 [0,1,0,0,0,0|3,0,0]=4 2556 B12R1.16 Cc1ccc(cc1)N(C)CCF 34a_100000219977_100011217306 [0,1,0,0,0,0|3,0,0]=4 2557 B12R1.16 Cc1ccc(cc1)N(C)CCO 2230a_100000219977_100000211926 [0,1,0,0,0,0|2,0,0]=3 2558 B12R1.16 Cc1ccc(cc1)N(C)CCO 269982a_100000219977_100000211926 [0,1,0,0,0,0|2,0,0]=3 2559 B12R1.16 Cc1ccc(cc1)N(C)CCO 34a_100000219977_100000211926 [0,1,0,0,0,0|2,0,0]=3 2560 B12R1.16 N#CCC(=O)c1ccc(cc1)Cl 1458a_100000210187_100011214920 [0,1,0,0,0,0|2,0,1]=4 2561 B12R1.16 N[C@@H](CCO)c1ccc(cc1)O 271570a_203496583355_102125605589 [0,1,0,0,0,0|2,0,0]=3 2562 B12R1.16 O=C(CCF)c1ccc(cc1)Br 1458a_100000185839_100011217306 [0,1,0,0,0,0|2,1,0]=4 2563 B12R1.16 O=C(CCF)c1ccc(cc1)Cl 1458a_100000210187_100011217306 [0,1,0,0,0,0|2,0,0]=3 2564 B12R1.16 O=C(CCF)c1ccc(cc1)F 1458a_100000187176_100011217306 [0,1,0,0,0,0|2,1,0]=4 2565 B12R1.16 O=C(CCF)c1ccc(cc1)I 1458a_100000187904_100011217306 [0,1,0,0,0,0|2,1,0]=4 2566 B12R1.16 O=C(CCF)c1ccc(cc1)O 1458a_100000212099_100011217306 [0,1,0,0,0,0|3,0,0]=4 2567 B12R1.16 O=C(CCO)c1ccc(cc1)Br 1458a_100000185839_100000211926 [0,1,0,0,0,0|1,1,0]=3 2568 B12R1.16 O=C(CCO)c1ccc(cc1)Cl 1458a_100000210187_100000211926 [0,1,0,0,0,0|1,0,0]=2 2569 B12R1.16 O=C(CCO)c1ccc(cc1)F 1458a_100000187176_100000211926 [0,1,0,0,0,0|1,1,0]=3 2570 B12R1.16 O=C(CCO)c1ccc(cc1)I 1458a_100000187904_100000211926 [0,1,0,0,0,0|1,1,0]=3 2571 B12R1.16 O=C(CCO)c1ccc(cc1)O 1458a_100000212099_100000211926 [0,1,0,0,0,0|2,0,0]=3 2572 B12R1.16 [13CH3]NCC(O)c1ccc(cc1)Cl 2230a_100000736658_200025704644 [0,1,0,0,0,0|3,0,0]=4 2573 B12R1.16 [13CH3]NCC(O)c1ccc(cc1)Cl 34a_100000736658_200025704644 [0,1,0,0,0,0|3,0,0]=4 2574 B12R1.16 [13CH3]OC[C@@H](N)c1ccc(cc1)Cl 34a_100009818818_200025704644 [0,1,0,0,0,0|3,0,0]=4 2575 B12R1.16 [13CH3]SCC(=O)c1ccc(cc1)Cl 62a_100000211071_200025704644 [0,1,0,0,0,0|3,0,0]=4 2576 B12R1.16 [13CH3]SCC(=O)c1ccc(cc1)Cl 62a_200025704644_100000211071 [0,1,0,0,0,0|3,0,0]=4 2577 B12R1.16 [13CH3]SCC(O)c1ccc(cc1)Cl 62a_200011996143_200025704644 [0,1,0,0,0,0|3,0,0]=4 2578 B12R1.16 [13CH3]SCC(O)c1ccc(cc1)Cl 62a_200025704644_200011996143 [0,1,0,0,0,0|3,0,0]=4 2579 B12R1.21 C=C(C)CNc1ccc(cc1)Cl 2230a_100000210052_100000748629 [0,1,0,0,0,0|2,0,1]=4 2580 B12R1.21 C=C(C)CNc1ccc(cc1)Cl 34a_100000210052_100000748629 [0,1,0,0,0,0|2,0,1]=4 2581 B12R1.21 C=C(C)COc1ccc(cc1)Br 34a_100000185759_100000748629 [0,1,0,0,0,0|1,1,1]=4 2582 B12R1.21 C=C(C)COc1ccc(cc1)Br 7a_100000185759_100000748629 [0,1,0,0,0,0|1,1,1]=4 2583 B12R1.21 C=C(C)COc1ccc(cc1)C 34a_100000210336_100000748629 [0,1,0,0,0,0|2,0,1]=4 2584 B12R1.21 C=C(C)COc1ccc(cc1)C 7a_100000210336_100000748629 [0,1,0,0,0,0|2,0,1]=4 2585 B12R1.21 C=C(C)COc1ccc(cc1)Cl 34a_100000210216_100000748629 [0,1,0,0,0,0|1,0,1]=3 2586 B12R1.21 C=C(C)COc1ccc(cc1)Cl 7a_100000210216_100000748629 [0,1,0,0,0,0|1,0,1]=3 2587 B12R1.21 C=C(C)COc1ccc(cc1)F 34a_100000210339_100000748629 [0,1,0,0,0,0|1,1,1]=4 2588 B12R1.21 C=C(C)COc1ccc(cc1)I 34a_100000212066_100000748629 [0,1,0,0,0,0|1,1,1]=4 2589 B12R1.21 C=C(C)COc1ccc(cc1)I 7a_100000212066_100000748629 [0,1,0,0,0,0|1,1,1]=4 2590 B12R1.21 C=C(C)COc1ccc(cc1)N 34a_100000185829_100000748629 [0,1,0,0,0,0|2,0,1]=4 2591 B12R1.21 C=C(C)COc1ccc(cn1)Cl 34a_100011215309_100000748629 [0,1,0,0,0,0|2,0,1]=4 2592 B12R1.21 C=C(C)COc1ccc(nc1)Cl 34a_100000744096_100000748629 [0,1,0,0,0,0|2,0,1]=4 2593 B12R1.21 C=C(C)COc1ccc(nc1)Cl 7a_100000744096_100000748629 [0,1,0,0,0,0|2,0,1]=4 2594 B12R1.21 C=C(C)CSc1ccc(cc1)Cl 62a_100000748629_100000755918 [0,1,0,0,0,0|1,1,1]=4 2595 B12R1.21 C=C(C)CSc1ccc(cc1)Cl 62a_100000755918_100000211660 [0,1,0,0,0,0|1,1,1]=4 2596 B12R1.21 C=C(F)CNc1ccc(cc1)Cl 2230a_100000210052_100009893438 [0,1,0,0,0,0|2,0,1]=4 2597 B12R1.21 C=C(F)CNc1ccc(cc1)Cl 34a_100000210052_100009893438 [0,1,0,0,0,0|2,0,1]=4 2598 B12R1.21 C=C(F)COc1ccc(cc1)Br 34a_100000185759_100009893438 [0,1,0,0,0,0|1,1,1]=4 2599 B12R1.21 C=C(F)COc1ccc(cc1)Br 7a_100000185759_100000042424 [0,1,0,0,0,0|1,1,1]=4 2600 B12R1.21 C=C(F)COc1ccc(cc1)C 34a_100000210336_100009893438 [0,1,0,0,0,0|2,0,1]=4 2601 B12R1.21 C=C(F)COc1ccc(cc1)C 7a_100000210336_100000042424 [0,1,0,0,0,0|2,0,1]=4 2602 B12R1.21 C=C(F)COc1ccc(cc1)Cl 34a_100000210216_100009893438 [0,1,0,0,0,0|1,0,1]=3 2603 B12R1.21 C=C(F)COc1ccc(cc1)Cl 7a_100000210216_100000042424 [0,1,0,0,0,0|1,0,1]=3 2604 B12R1.21 C=C(F)COc1ccc(cc1)F 34a_100000210339_100009893438 [0,1,0,0,0,0|1,1,1]=4 2605 B12R1.21 C=C(F)COc1ccc(cc1)I 34a_100000212066_100009893438 [0,1,0,0,0,0|1,1,1]=4 2606 B12R1.21 C=C(F)COc1ccc(cc1)I 7a_100000212066_100000042424 [0,1,0,0,0,0|1,1,1]=4 2607 B12R1.21 C=C(F)COc1ccc(cc1)N 34a_100000185829_100009893438 [0,1,0,0,0,0|2,0,1]=4 2608 B12R1.21 C=C(F)COc1ccc(cn1)Cl 34a_100011215309_100009893438 [0,1,0,0,0,0|2,0,1]=4 2609 B12R1.21 C=C(F)COc1ccc(nc1)Cl 34a_100000744096_100009893438 [0,1,0,0,0,0|2,0,1]=4 2610 B12R1.21 C=C(F)COc1ccc(nc1)Cl 7a_100000744096_100000042424 [0,1,0,0,0,0|2,0,1]=4 2611 B12R1.21 C=C(F)CSc1ccc(cc1)Cl 62a_100000042424_100000755918 [0,1,0,0,0,0|1,1,1]=4 2612 B12R1.21 C=C(F)CSc1ccc(cc1)Cl 62a_100000755918_100000042424 [0,1,0,0,0,0|1,1,1]=4 2613 B12R1.21 CC(=O)CCc1ccc(cc1)Cl 1458a_100000070787_100011713675 [0,1,0,0,0,0|1,0,2]=4 2614 B12R1.21 CC(=O)CCc1ccc(cc1)Cl 1458a_100000235379_200000210301 [0,1,0,0,0,0|1,0,2]=4 2615 B12R1.21 CC(=O)COc1ccc(cc1)Br 1458a_100000182358_200000210301 [0,1,0,0,0,0|0,1,2]=4 2616 B12R1.21 CC(=O)COc1ccc(cc1)C 1458a_100000182360_200000210301 [0,1,0,0,0,0|1,0,2]=4 2617 B12R1.21 CC(=O)COc1ccc(cc1)Cl 1458a_100016990877_200000210301 [0,1,0,0,0,0|0,0,2]=3 2618 B12R1.21 CC(=O)COc1ccc(cc1)F 1458a_100000184765_200000210301 [0,1,0,0,0,0|0,1,2]=4 2619 B12R1.21 CC(=O)COc1ccc(cc1)I 1458a_100000184369_200000210301 [0,1,0,0,0,0|0,1,2]=4 2620 B12R1.21 CC(=O)COc1ccc(cc1)O 1458a_100000031633_200000210301 [0,1,0,0,0,0|1,0,2]=4 2621 B12R1.21 CC(=O)CSc1ccc(cc1)Cl 1458a_100000178402_200000210301 [0,1,0,0,0,0|0,1,2]=4 2622 B12R1.21 CC(C)C=Cc1ccc(cc1)Cl 271570a_100016257149_100000755918 [0,1,0,0,0,0|2,0,1]=4 2623 B12R1.21 CC(C)CNc1ccc(cc1)Br 2230a_100000210018_100000210760 [0,1,0,0,0,0|2,1,0]=4 2624 B12R1.21 CC(C)CNc1ccc(cc1)Br 34a_100000210018_100000210624 [0,1,0,0,0,0|2,1,0]=4 2625 B12R1.21 CC(C)CNc1ccc(cc1)Cl 2230a_100000210052_100000210760 [0,1,0,0,0,0|2,0,0]=3 2626 B12R1.21 CC(C)CNc1ccc(cc1)Cl 34a_100000210052_100000210624 [0,1,0,0,0,0|2,0,0]=3 2627 B12R1.21 CC(C)CNc1ccc(cc1)F 34a_100000185862_100000210624 [0,1,0,0,0,0|2,1,0]=4 2628 B12R1.21 CC(C)CNc1ccc(cc1)I 34a_100000185761_100000210624 [0,1,0,0,0,0|2,1,0]=4 2629 B12R1.21 CC(C)CNc1ccc(cc1)O 271570a_203496583355_200011231703 [0,1,0,0,0,0|3,0,0]=4 2630 B12R1.21 CC(C)CNc1ccc(cc1)O 34a_100000185829_100000210624 [0,1,0,0,0,0|3,0,0]=4 2631 B12R1.21 CC(C)COc1ccc(=O)[nH]c1 34a_100000075641_100000210624 [0,1,0,0,0,0|3,0,0]=4 2632 B12R1.21 CC(C)COc1ccc(cc1)Br 34a_100000185759_100000210624 [0,1,0,0,0,0|1,1,0]=3 2633 B12R1.21 CC(C)COc1ccc(cc1)Br 7a_100000185759_100000210760 [0,1,0,0,0,0|1,1,0]=3 2634 B12R1.21 CC(C)COc1ccc(cc1)Cl 34a_100000210216_100000210624 [0,1,0,0,0,0|1,0,0]=2 2635 B12R1.21 CC(C)COc1ccc(cc1)Cl 7a_100000210216_100000210760 [0,1,0,0,0,0|1,0,0]=2 2636 B12R1.21 CC(C)COc1ccc(cc1)F 34a_100000210339_100000210624 [0,1,0,0,0,0|1,1,0]=3 2637 B12R1.21 CC(C)COc1ccc(cc1)I 34a_100000212066_100000210624 [0,1,0,0,0,0|1,1,0]=3 2638 B12R1.21 CC(C)COc1ccc(cc1)I 7a_100000212066_100000210760 [0,1,0,0,0,0|1,1,0]=3 2639 B12R1.21 CC(C)COc1ccc(cc1)N 34a_100000185829_100000210624 [0,1,0,0,0,0|2,0,0]=3 2640 B12R1.21 CC(C)COc1ccc(cc1)O 271570a_203496583355_200000169949 [0,1,0,0,0,0|2,0,0]=3 2641 B12R1.21 CC(C)COc1ccc(cn1)Cl 34a_100011215309_100000210624 [0,1,0,0,0,0|2,0,0]=3 2642 B12R1.21 CC(C)COc1ccc(cn1)F 34a_100000742473_100000210624 [0,1,0,0,0,0|2,1,0]=4 2643 B12R1.21 CC(C)COc1ccc(cn1)N 34a_100000729260_100000210624 [0,1,0,0,0,0|3,0,0]=4 2644 B12R1.21 CC(C)COc1ccc(nc1)Br 34a_100000685995_100000210624 [0,1,0,0,0,0|2,1,0]=4 2645 B12R1.21 CC(C)COc1ccc(nc1)Br 7a_100000685995_100000210760 [0,1,0,0,0,0|2,1,0]=4 2646 B12R1.21 CC(C)COc1ccc(nc1)Cl 34a_100000744096_100000210624 [0,1,0,0,0,0|2,0,0]=3 2647 B12R1.21 CC(C)COc1ccc(nc1)Cl 7a_100000744096_100000210760 [0,1,0,0,0,0|2,0,0]=3 2648 B12R1.21 CC(C)COc1ccc(nc1)F 34a_100000688820_100000210624 [0,1,0,0,0,0|2,1,0]=4 2649 B12R1.21 CC(C)COc1ccc(nc1)F 7a_100000688820_100000210760 [0,1,0,0,0,0|2,1,0]=4 2650 B12R1.21 CC(C)COc1ccc(nc1)I 34a_100000687607_100000210624 [0,1,0,0,0,0|2,1,0]=4 2651 B12R1.21 CC(C)COc1ccc(nc1)I 7a_100000687607_100000210760 [0,1,0,0,0,0|2,1,0]=4 2652 B12R1.21 CC(C)COc1ccc(nc1)N 34a_100015188713_100000210624 [0,1,0,0,0,0|3,0,0]=4 2653 B12R1.21 CC(C)COc1ccc(nc1)N 7a_100015188713_100000210760 [0,1,0,0,0,0|3,0,0]=4 2654 B12R1.21 CC(C)COc1cnc(cn1)Cl 34a_100015839800_100000210624 [0,1,0,0,0,0|3,0,0]=4 2655 B12R1.21 CC(C)COc1cnc(nc1)Cl 34a_100000092845_100000210624 [0,1,0,0,0,0|3,0,0]=4 2656 B12R1.21 CC(C)COc1cnc(nc1)Cl 7a_100000092845_100000210760 [0,1,0,0,0,0|3,0,0]=4 2657 B12R1.21 CC(C)CSc1ccc(cc1)Br 62a_100000210624_100000752885 [0,1,0,0,0,0|1,2,0]=4 2658 B12R1.21 CC(C)CSc1ccc(cc1)Br 62a_100000752885_100000210760 [0,1,0,0,0,0|1,2,0]=4 2659 B12R1.21 CC(C)CSc1ccc(cc1)Cl 62a_100000210624_100000755918 [0,1,0,0,0,0|1,1,0]=3 2660 B12R1.21 CC(C)CSc1ccc(cc1)Cl 62a_100000755918_100000210760 [0,1,0,0,0,0|1,1,0]=3 2661 B12R1.21 CC(C)CSc1ccc(cc1)F 62a_100000210624_100000211213 [0,1,0,0,0,0|1,2,0]=4 2662 B12R1.21 CC(C)CSc1ccc(cc1)F 62a_100000211213_100000210760 [0,1,0,0,0,0|1,2,0]=4 2663 B12R1.21 CC(C)CSc1ccc(cc1)N 62a_100000185761_100000210760 [0,1,0,0,0,0|2,1,0]=4 2664 B12R1.21 CC(C)CSc1ccc(cc1)N 62a_100000210624_100000185761 [0,1,0,0,0,0|2,1,0]=4 2665 B12R1.21 CC(C)CSc1ccc(cc1)O 62a_100000210624_100000185759 [0,1,0,0,0,0|2,1,0]=4 2666 B12R1.21 CC(C)CSc1ccc(cn1)Cl 62a_100000210624_100011356976 [0,1,0,0,0,0|2,1,0]=4 2667 B12R1.21 CC(C)CSc1ccc(cn1)Cl 62a_100011356976_100000210760 [0,1,0,0,0,0|2,1,0]=4 2668 B12R1.21 CC(C)CSc1ccc(nc1)Cl 62a_100000034144_100000210760 [0,1,0,0,0,0|2,1,0]=4 2669 B12R1.21 CC(C)CSc1ccc(nc1)Cl 62a_100000210624_100000034144 [0,1,0,0,0,0|2,1,0]=4 2670 B12R1.21 CC(C)NCc1ccc(cc1)Cl 207a_100138425928_100000189385 [0,1,0,0,0,0|3,0,0]=4 2671 B12R1.21 CC(C)NCc1ccc(cc1)Cl 2230a_100000174871_100000210206 [0,1,0,0,0,0|3,0,0]=4 2672 B12R1.21 CC(C)NCc1ccc(cc1)Cl 2230a_100138425928_100000694040 [0,1,0,0,0,0|3,0,0]=4 2673 B12R1.21 CC(C)NCc1ccc(cc1)Cl 34a_100000174871_100000210206 [0,1,0,0,0,0|3,0,0]=4 2674 B12R1.21 CC(C)NCc1ccc(cc1)Cl 34a_100138425928_100000694040 [0,1,0,0,0,0|3,0,0]=4 2675 B12R1.21 CC(C)OCc1ccc(cc1)Cl 34a_100000211118_100000210206 [0,1,0,0,0,0|3,0,0]=4 2676 B12R1.21 CC(C)OCc1ccc(cc1)Cl 34a_100000212225_100000694040 [0,1,0,0,0,0|3,0,0]=4 2677 B12R1.21 CC(C)OCc1ccc(cc1)Cl 7a_100000211118_100000210206 [0,1,0,0,0,0|3,0,0]=4 2678 B12R1.21 CC(C)SCc1ccc(cc1)Cl 62a_100000187161_100000210206 [0,1,0,0,0,0|3,0,0]=4 2679 B12R1.21 CC(C)SCc1ccc(cc1)Cl 62a_100000210206_100000187161 [0,1,0,0,0,0|3,0,0]=4 2680 B12R1.21 CC(O)C=Cc1ccc(cc1)Br 271570a_200011019289_100000752885 [0,1,0,0,0,0|1,1,1]=4 2681 B12R1.21 CC(O)C=Cc1ccc(cc1)Cl 271570a_200011019289_100000755918 [0,1,0,0,0,0|1,0,1]=3 2682 B12R1.21 CC(O)C=Cc1ccc(cc1)F 271570a_200011019289_100000211213 [0,1,0,0,0,0|1,1,1]=4 2683 B12R1.21 CC(O)C=Cc1ccc(cc1)N 271570a_200011019289_100000185761 [0,1,0,0,0,0|2,0,1]=4 2684 B12R1.21 CC(O)C=Cc1ccc(cc1)O 271570a_200011019289_100000185759 [0,1,0,0,0,0|2,0,1]=4 2685 B12R1.21 CC(O)C=Cc1ccc(cn1)Cl 271570a_200011019289_100011356976 [0,1,0,0,0,0|2,0,1]=4 2686 B12R1.21 CC(O)C=Cc1ccc(nc1)Cl 271570a_200011019289_100000034144 [0,1,0,0,0,0|2,0,1]=4 2687 B12R1.21 CC(O)CNc1ccc(cc1)Br 2230a_100000210018_100011218427 [0,1,0,0,0,0|1,1,0]=3 2688 B12R1.21 CC(O)CNc1ccc(cc1)Br 34a_100000210018_100011218427 [0,1,0,0,0,0|1,1,0]=3 2689 B12R1.21 CC(O)CNc1ccc(cc1)Cl 2230a_100000210052_100011218427 [0,1,0,0,0,0|1,0,0]=2 2690 B12R1.21 CC(O)CNc1ccc(cc1)Cl 34a_100000210052_100011218427 [0,1,0,0,0,0|1,0,0]=2 2691 B12R1.21 CC(O)CNc1ccc(cc1)F 34a_100000185862_100011218427 [0,1,0,0,0,0|1,1,0]=3 2692 B12R1.21 CC(O)CNc1ccc(cc1)I 34a_100000185761_100011218427 [0,1,0,0,0,0|1,1,0]=3 2693 B12R1.21 CC(O)CNc1ccc(cc1)O 34a_100000185829_100011218427 [0,1,0,0,0,0|2,0,0]=3 2694 B12R1.21 CC(O)CNc1ccc(cn1)Br 27a_100000210904_100000686858 [0,1,0,0,0,0|2,1,0]=4 2695 B12R1.21 CC(O)CNc1ncc(cn1)Cl 27a_100000210904_100011356929 [0,1,0,0,0,0|3,0,0]=4 2696 B12R1.21 CC(O)COc1ccc(=O)[nH]c1 34a_100000075641_100011218427 [0,1,0,0,0,0|2,0,0]=3 2697 B12R1.21 CC(O)COc1ccc(cc1)Br 34a_100000185759_100011218427 [0,1,0,0,0,0|0,1,0]=2 2698 B12R1.21 CC(O)COc1ccc(cc1)Br 7a_100000185759_100011218427 [0,1,0,0,0,0|0,1,0]=2 2699 B12R1.21 CC(O)COc1ccc(cc1)Cl 34a_100000210216_100011218427 [0,1,0,0,0,0|0,0,0]=1 2700 B12R1.21 CC(O)COc1ccc(cc1)Cl 7a_100000210216_100011218427 [0,1,0,0,0,0|0,0,0]=1 2701 B12R1.21 CC(O)COc1ccc(cc1)F 34a_100000210339_100011218427 [0,1,0,0,0,0|0,1,0]=2 2702 B12R1.21 CC(O)COc1ccc(cc1)I 34a_100000212066_100011218427 [0,1,0,0,0,0|0,1,0]=2 2703 B12R1.21 CC(O)COc1ccc(cc1)I 7a_100000212066_100011218427 [0,1,0,0,0,0|0,1,0]=2 2704 B12R1.21 CC(O)COc1ccc(cc1)N 34a_100000185829_100011218427 [0,1,0,0,0,0|1,0,0]=2 2705 B12R1.21 CC(O)COc1ccc(cn1)Cl 34a_100011215309_100011218427 [0,1,0,0,0,0|1,0,0]=2 2706 B12R1.21 CC(O)COc1ccc(cn1)F 34a_100000742473_100011218427 [0,1,0,0,0,0|1,1,0]=3 2707 B12R1.21 CC(O)COc1ccc(cn1)N 34a_100000729260_100011218427 [0,1,0,0,0,0|2,0,0]=3 2708 B12R1.21 CC(O)COc1ccc(nc1)Br 34a_100000685995_100011218427 [0,1,0,0,0,0|1,1,0]=3 2709 B12R1.21 CC(O)COc1ccc(nc1)Br 7a_100000685995_100011218427 [0,1,0,0,0,0|1,1,0]=3 2710 B12R1.21 CC(O)COc1ccc(nc1)Cl 34a_100000744096_100011218427 [0,1,0,0,0,0|1,0,0]=2 2711 B12R1.21 CC(O)COc1ccc(nc1)Cl 7a_100000744096_100011218427 [0,1,0,0,0,0|1,0,0]=2 2712 B12R1.21 CC(O)COc1ccc(nc1)F 34a_100000688820_100011218427 [0,1,0,0,0,0|1,1,0]=3 2713 B12R1.21 CC(O)COc1ccc(nc1)F 7a_100000688820_100011218427 [0,1,0,0,0,0|1,1,0]=3 2714 B12R1.21 CC(O)COc1ccc(nc1)I 34a_100000687607_100011218427 [0,1,0,0,0,0|1,1,0]=3 2715 B12R1.21 CC(O)COc1ccc(nc1)I 7a_100000687607_100011218427 [0,1,0,0,0,0|1,1,0]=3 2716 B12R1.21 CC(O)COc1ccc(nc1)N 34a_100015188713_100011218427 [0,1,0,0,0,0|2,0,0]=3 2717 B12R1.21 CC(O)COc1ccc(nc1)N 7a_100015188713_100011218427 [0,1,0,0,0,0|2,0,0]=3 2718 B12R1.21 CC(O)COc1cnc(cn1)Br 34a_100011934580_100011218427 [0,1,0,0,0,0|2,1,0]=4 2719 B12R1.21 CC(O)COc1cnc(cn1)Cl 34a_100015839800_100011218427 [0,1,0,0,0,0|2,0,0]=3 2720 B12R1.21 CC(O)COc1cnc(nc1)Br 34a_100000730009_100011218427 [0,1,0,0,0,0|2,1,0]=4 2721 B12R1.21 CC(O)COc1cnc(nc1)Br 7a_100000730009_100011218427 [0,1,0,0,0,0|2,1,0]=4 2722 B12R1.21 CC(O)COc1cnc(nc1)Cl 34a_100000092845_100011218427 [0,1,0,0,0,0|2,0,0]=3 2723 B12R1.21 CC(O)COc1cnc(nc1)Cl 7a_100000092845_100011218427 [0,1,0,0,0,0|2,0,0]=3 2724 B12R1.21 CC(O)COc1cnc(nc1)F 34a_200009874573_100011218427 [0,1,0,0,0,0|2,1,0]=4 2725 B12R1.21 CC(O)COc1cnc(nc1)F 7a_200009874573_100011218427 [0,1,0,0,0,0|2,1,0]=4 2726 B12R1.21 CC(O)COc1cnc(nc1)N 34a_100000087137_100011218427 [0,1,0,0,0,0|3,0,0]=4 2727 B12R1.21 CC(O)COc1cnc(nc1)N 7a_100000087137_100011218427 [0,1,0,0,0,0|3,0,0]=4 2728 B12R1.21 CC(O)COc1ncc(cn1)F 34a_100011934040_100011218427 [0,1,0,0,0,0|2,1,0]=4 2729 B12R1.21 CC(O)CSc1cc[n+](cc1)[O-] 62a_100011218427_100000039755 [0,1,0,0,0,0|2,1,0]=4 2730 B12R1.21 CC(O)CSc1ccc(=O)[nH]c1 62a_100000212171_100011218427 [0,1,0,0,0,0|2,1,0]=4 2731 B12R1.21 CC(O)CSc1ccc(=O)[nH]c1 62a_100011218427_100000212171 [0,1,0,0,0,0|2,1,0]=4 2732 B12R1.21 CC(O)CSc1ccc(cc1)Br 62a_100000752885_100011218427 [0,1,0,0,0,0|0,2,0]=3 2733 B12R1.21 CC(O)CSc1ccc(cc1)Br 62a_100011218427_100000752885 [0,1,0,0,0,0|0,2,0]=3 2734 B12R1.21 CC(O)CSc1ccc(cc1)Cl 62a_100000755918_100011218427 [0,1,0,0,0,0|0,1,0]=2 2735 B12R1.21 CC(O)CSc1ccc(cc1)Cl 62a_100011218427_100000755918 [0,1,0,0,0,0|0,1,0]=2 2736 B12R1.21 CC(O)CSc1ccc(cc1)F 62a_100000211213_100011218427 [0,1,0,0,0,0|0,2,0]=3 2737 B12R1.21 CC(O)CSc1ccc(cc1)F 62a_100011218427_100000211213 [0,1,0,0,0,0|0,2,0]=3 2738 B12R1.21 CC(O)CSc1ccc(cc1)N 62a_100000185761_100011218427 [0,1,0,0,0,0|1,1,0]=3 2739 B12R1.21 CC(O)CSc1ccc(cc1)N 62a_100011218427_100000185761 [0,1,0,0,0,0|1,1,0]=3 2740 B12R1.21 CC(O)CSc1ccc(cc1)O 62a_100011218427_100000185759 [0,1,0,0,0,0|1,1,0]=3 2741 B12R1.21 CC(O)CSc1ccc(cn1)Br 62a_100000686858_100011218427 [0,1,0,0,0,0|1,2,0]=4 2742 B12R1.21 CC(O)CSc1ccc(cn1)Br 62a_100011218427_100000686858 [0,1,0,0,0,0|1,2,0]=4 2743 B12R1.21 CC(O)CSc1ccc(cn1)Cl 62a_100011218427_100011356976 [0,1,0,0,0,0|1,1,0]=3 2744 B12R1.21 CC(O)CSc1ccc(cn1)Cl 62a_100011356976_100011218427 [0,1,0,0,0,0|1,1,0]=3 2745 B12R1.21 CC(O)CSc1ccc(cn1)F 62a_100000744514_100011218427 [0,1,0,0,0,0|1,2,0]=4 2746 B12R1.21 CC(O)CSc1ccc(cn1)F 62a_100011218427_100000744514 [0,1,0,0,0,0|1,2,0]=4 2747 B12R1.21 CC(O)CSc1ccc(cn1)N 62a_100000737798_100011218427 [0,1,0,0,0,0|2,1,0]=4 2748 B12R1.21 CC(O)CSc1ccc(cn1)N 62a_100011218427_100000737798 [0,1,0,0,0,0|2,1,0]=4 2749 B12R1.21 CC(O)CSc1ccc(cn1)O 62a_100000685995_100011218427 [0,1,0,0,0,0|2,1,0]=4 2750 B12R1.21 CC(O)CSc1ccc(cn1)O 62a_100011218427_100000744096 [0,1,0,0,0,0|2,1,0]=4 2751 B12R1.21 CC(O)CSc1ccc(nc1)Br 62a_100009814638_100011218427 [0,1,0,0,0,0|1,2,0]=4 2752 B12R1.21 CC(O)CSc1ccc(nc1)Br 62a_100011218427_100009814638 [0,1,0,0,0,0|1,2,0]=4 2753 B12R1.21 CC(O)CSc1ccc(nc1)Cl 62a_100000034144_100011218427 [0,1,0,0,0,0|1,1,0]=3 2754 B12R1.21 CC(O)CSc1ccc(nc1)Cl 62a_100011218427_100000034144 [0,1,0,0,0,0|1,1,0]=3 2755 B12R1.21 CC(O)CSc1ccc(nc1)F 62a_100000042367_100011218427 [0,1,0,0,0,0|1,2,0]=4 2756 B12R1.21 CC(O)CSc1ccc(nc1)F 62a_100011218427_100000042367 [0,1,0,0,0,0|1,2,0]=4 2757 B12R1.21 CC(O)CSc1ccc(nc1)N 62a_100000187370_100011218427 [0,1,0,0,0,0|2,1,0]=4 2758 B12R1.21 CC(O)CSc1ccc(nc1)N 62a_100011218427_100000187370 [0,1,0,0,0,0|2,1,0]=4 2759 B12R1.21 CC(O)CSc1ccc(nn1)Cl 62a_100000068654_100011218427 [0,1,0,0,0,0|2,1,0]=4 2760 B12R1.21 CC(O)CSc1ccc(nn1)Cl 62a_100011218427_100000068654 [0,1,0,0,0,0|2,1,0]=4 2761 B12R1.21 CC(O)CSc1cnc(cn1)Cl 62a_100010214907_100011218427 [0,1,0,0,0,0|2,1,0]=4 2762 B12R1.21 CC(O)CSc1cnc(cn1)Cl 62a_100011218427_100010214907 [0,1,0,0,0,0|2,1,0]=4 2763 B12R1.21 CC(O)CSc1cnc(nc1)Cl 62a_100000059775_100011218427 [0,1,0,0,0,0|2,1,0]=4 2764 B12R1.21 CC(O)CSc1cnc(nc1)Cl 62a_100011218427_100000059775 [0,1,0,0,0,0|2,1,0]=4 2765 B12R1.21 CC(O)CSc1ncc(cn1)Cl 62a_100011218427_100011356929 [0,1,0,0,0,0|2,1,0]=4 2766 B12R1.21 CC(O)CSc1ncc(cn1)Cl 62a_100011356929_100011218427 [0,1,0,0,0,0|2,1,0]=4 2767 B12R1.21 CN(C)CCc1ccc(cc1)Cl 2230a_100000698262_200000210301 [0,1,0,0,0,0|3,0,0]=4 2768 B12R1.21 CN(C)CCc1ccc(cc1)Cl 2230a_100102631434_100011713675 [0,1,0,0,0,0|3,0,0]=4 2769 B12R1.21 CN(C)CCc1ccc(cc1)Cl 269982a_100000698262_200000210301 [0,1,0,0,0,0|3,0,0]=4 2770 B12R1.21 CN(C)CCc1ccc(cc1)Cl 269982a_100102631434_100011713675 [0,1,0,0,0,0|3,0,0]=4 2771 B12R1.21 CN(C)CCc1ccc(cc1)Cl 34a_100000698262_200000210301 [0,1,0,0,0,0|3,0,0]=4 2772 B12R1.21 CN([13CH3])CCc1ccc(cc1)Cl 2230a_100000698262_200025704644 [0,1,0,0,0,0|3,0,0]=4 2773 B12R1.21 CN([13CH3])CCc1ccc(cc1)Cl 269982a_100000698262_200025704644 [0,1,0,0,0,0|3,0,0]=4 2774 B12R1.21 CN([13CH3])CCc1ccc(cc1)Cl 34a_100000698262_200025704644 [0,1,0,0,0,0|3,0,0]=4 2775 B12R1.21 C[C@@H](O)CNc1ccc(cc1)Br 2230a_100000210018_100009817552 [0,1,0,0,0,0|1,1,0]=3 2776 B12R1.21 C[C@@H](O)CNc1ccc(cc1)Br 34a_100000210018_100009817552 [0,1,0,0,0,0|1,1,0]=3 2777 B12R1.21 C[C@@H](O)CNc1ccc(cc1)Cl 2230a_100000210052_100009817552 [0,1,0,0,0,0|1,0,0]=2 2778 B12R1.21 C[C@@H](O)CNc1ccc(cc1)Cl 34a_100000210052_100009817552 [0,1,0,0,0,0|1,0,0]=2 2779 B12R1.21 C[C@@H](O)CNc1ccc(cc1)F 34a_100000185862_100009817552 [0,1,0,0,0,0|1,1,0]=3 2780 B12R1.21 C[C@@H](O)CNc1ccc(cc1)I 34a_100000185761_100009817552 [0,1,0,0,0,0|1,1,0]=3 2781 B12R1.21 C[C@@H](O)CNc1ccc(cc1)O 34a_100000185829_100009817552 [0,1,0,0,0,0|2,0,0]=3 2782 B12R1.21 C[C@@H](O)COc1ccc(=O)[nH]c1 34a_100000075641_100009817552 [0,1,0,0,0,0|2,0,0]=3 2783 B12R1.21 C[C@@H](O)COc1ccc(cc1)Br 34a_100000185759_100009817552 [0,1,0,0,0,0|0,1,0]=2 2784 B12R1.21 C[C@@H](O)COc1ccc(cc1)Br 7a_100000185759_100009817552 [0,1,0,0,0,0|0,1,0]=2 2785 B12R1.21 C[C@@H](O)COc1ccc(cc1)Cl 34a_100000210216_100009817552 [0,1,0,0,0,0|0,0,0]=1 2786 B12R1.21 C[C@@H](O)COc1ccc(cc1)Cl 7a_100000210216_100009817552 [0,1,0,0,0,0|0,0,0]=1 2787 B12R1.21 C[C@@H](O)COc1ccc(cc1)F 34a_100000210339_100009817552 [0,1,0,0,0,0|0,1,0]=2 2788 B12R1.21 C[C@@H](O)COc1ccc(cc1)I 34a_100000212066_100009817552 [0,1,0,0,0,0|0,1,0]=2 2789 B12R1.21 C[C@@H](O)COc1ccc(cc1)I 7a_100000212066_100009817552 [0,1,0,0,0,0|0,1,0]=2 2790 B12R1.21 C[C@@H](O)COc1ccc(cc1)N 34a_100000185829_100009817552 [0,1,0,0,0,0|1,0,0]=2 2791 B12R1.21 C[C@@H](O)COc1ccc(cn1)Cl 34a_100011215309_100009817552 [0,1,0,0,0,0|1,0,0]=2 2792 B12R1.21 C[C@@H](O)COc1ccc(cn1)F 34a_100000742473_100009817552 [0,1,0,0,0,0|1,1,0]=3 2793 B12R1.21 C[C@@H](O)COc1ccc(cn1)N 34a_100000729260_100009817552 [0,1,0,0,0,0|2,0,0]=3 2794 B12R1.21 C[C@@H](O)COc1ccc(nc1)Br 34a_100000685995_100009817552 [0,1,0,0,0,0|1,1,0]=3 2795 B12R1.21 C[C@@H](O)COc1ccc(nc1)Br 7a_100000685995_100009817552 [0,1,0,0,0,0|1,1,0]=3 2796 B12R1.21 C[C@@H](O)COc1ccc(nc1)Cl 34a_100000744096_100009817552 [0,1,0,0,0,0|1,0,0]=2 2797 B12R1.21 C[C@@H](O)COc1ccc(nc1)Cl 7a_100000744096_100009817552 [0,1,0,0,0,0|1,0,0]=2 2798 B12R1.21 C[C@@H](O)COc1ccc(nc1)F 34a_100000688820_100009817552 [0,1,0,0,0,0|1,1,0]=3 2799 B12R1.21 C[C@@H](O)COc1ccc(nc1)F 7a_100000688820_100009817552 [0,1,0,0,0,0|1,1,0]=3 2800 B12R1.21 C[C@@H](O)COc1ccc(nc1)I 34a_100000687607_100009817552 [0,1,0,0,0,0|1,1,0]=3 2801 B12R1.21 C[C@@H](O)COc1ccc(nc1)I 7a_100000687607_100009817552 [0,1,0,0,0,0|1,1,0]=3 2802 B12R1.21 C[C@@H](O)COc1ccc(nc1)N 34a_100015188713_100009817552 [0,1,0,0,0,0|2,0,0]=3 2803 B12R1.21 C[C@@H](O)COc1ccc(nc1)N 7a_100015188713_100009817552 [0,1,0,0,0,0|2,0,0]=3 2804 B12R1.21 C[C@@H](O)COc1cnc(cn1)Br 34a_100011934580_100009817552 [0,1,0,0,0,0|2,1,0]=4 2805 B12R1.21 C[C@@H](O)COc1cnc(cn1)Cl 34a_100015839800_100009817552 [0,1,0,0,0,0|2,0,0]=3 2806 B12R1.21 C[C@@H](O)COc1cnc(nc1)Br 34a_100000730009_100009817552 [0,1,0,0,0,0|2,1,0]=4 2807 B12R1.21 C[C@@H](O)COc1cnc(nc1)Br 7a_100000730009_100009817552 [0,1,0,0,0,0|2,1,0]=4 2808 B12R1.21 C[C@@H](O)COc1cnc(nc1)Cl 34a_100000092845_100009817552 [0,1,0,0,0,0|2,0,0]=3 2809 B12R1.21 C[C@@H](O)COc1cnc(nc1)Cl 7a_100000092845_100009817552 [0,1,0,0,0,0|2,0,0]=3 2810 B12R1.21 C[C@@H](O)COc1cnc(nc1)F 34a_200009874573_100009817552 [0,1,0,0,0,0|2,1,0]=4 2811 B12R1.21 C[C@@H](O)COc1cnc(nc1)F 7a_200009874573_100009817552 [0,1,0,0,0,0|2,1,0]=4 2812 B12R1.21 C[C@@H](O)COc1cnc(nc1)N 34a_100000087137_100009817552 [0,1,0,0,0,0|3,0,0]=4 2813 B12R1.21 C[C@@H](O)COc1cnc(nc1)N 7a_100000087137_100009817552 [0,1,0,0,0,0|3,0,0]=4 2814 B12R1.21 C[C@@H](O)COc1ncc(cn1)F 34a_100011934040_100009817552 [0,1,0,0,0,0|2,1,0]=4 2815 B12R1.21 C[C@@H](O)CSc1cc[n+](cc1)[O-] 62a_100009817552_100000039755 [0,1,0,0,0,0|2,1,0]=4 2816 B12R1.21 C[C@@H](O)CSc1ccc(=O)[nH]c1 62a_100000212171_100009817552 [0,1,0,0,0,0|2,1,0]=4 2817 B12R1.21 C[C@@H](O)CSc1ccc(=O)[nH]c1 62a_100009817552_100000212171 [0,1,0,0,0,0|2,1,0]=4 2818 B12R1.21 C[C@@H](O)CSc1ccc(cc1)Br 62a_100000752885_100009817552 [0,1,0,0,0,0|0,2,0]=3 2819 B12R1.21 C[C@@H](O)CSc1ccc(cc1)Br 62a_100009817552_100000752885 [0,1,0,0,0,0|0,2,0]=3 2820 B12R1.21 C[C@@H](O)CSc1ccc(cc1)Cl 62a_100000755918_100009817552 [0,1,0,0,0,0|0,1,0]=2 2821 B12R1.21 C[C@@H](O)CSc1ccc(cc1)Cl 62a_100009817552_100000755918 [0,1,0,0,0,0|0,1,0]=2 2822 B12R1.21 C[C@@H](O)CSc1ccc(cc1)F 62a_100000211213_100009817552 [0,1,0,0,0,0|0,2,0]=3 2823 B12R1.21 C[C@@H](O)CSc1ccc(cc1)F 62a_100009817552_100000211213 [0,1,0,0,0,0|0,2,0]=3 2824 B12R1.21 C[C@@H](O)CSc1ccc(cc1)N 62a_100000185761_100009817552 [0,1,0,0,0,0|1,1,0]=3 2825 B12R1.21 C[C@@H](O)CSc1ccc(cc1)N 62a_100009817552_100000185761 [0,1,0,0,0,0|1,1,0]=3 2826 B12R1.21 C[C@@H](O)CSc1ccc(cc1)O 62a_100009817552_100000185759 [0,1,0,0,0,0|1,1,0]=3 2827 B12R1.21 C[C@@H](O)CSc1ccc(cn1)Br 62a_100000686858_100009817552 [0,1,0,0,0,0|1,2,0]=4 2828 B12R1.21 C[C@@H](O)CSc1ccc(cn1)Br 62a_100009817552_100000686858 [0,1,0,0,0,0|1,2,0]=4 2829 B12R1.21 C[C@@H](O)CSc1ccc(cn1)Cl 62a_100009817552_100011356976 [0,1,0,0,0,0|1,1,0]=3 2830 B12R1.21 C[C@@H](O)CSc1ccc(cn1)Cl 62a_100011356976_100009817552 [0,1,0,0,0,0|1,1,0]=3 2831 B12R1.21 C[C@@H](O)CSc1ccc(cn1)F 62a_100000744514_100009817552 [0,1,0,0,0,0|1,2,0]=4 2832 B12R1.21 C[C@@H](O)CSc1ccc(cn1)F 62a_100009817552_100000744514 [0,1,0,0,0,0|1,2,0]=4 2833 B12R1.21 C[C@@H](O)CSc1ccc(cn1)N 62a_100000737798_100009817552 [0,1,0,0,0,0|2,1,0]=4 2834 B12R1.21 C[C@@H](O)CSc1ccc(cn1)N 62a_100009817552_100000737798 [0,1,0,0,0,0|2,1,0]=4 2835 B12R1.21 C[C@@H](O)CSc1ccc(cn1)O 62a_100000685995_100009817552 [0,1,0,0,0,0|2,1,0]=4 2836 B12R1.21 C[C@@H](O)CSc1ccc(cn1)O 62a_100009817552_100000744096 [0,1,0,0,0,0|2,1,0]=4 2837 B12R1.21 C[C@@H](O)CSc1ccc(nc1)Br 62a_100009814638_100009817552 [0,1,0,0,0,0|1,2,0]=4 2838 B12R1.21 C[C@@H](O)CSc1ccc(nc1)Br 62a_100009817552_100009814638 [0,1,0,0,0,0|1,2,0]=4 2839 B12R1.21 C[C@@H](O)CSc1ccc(nc1)Cl 62a_100000034144_100009817552 [0,1,0,0,0,0|1,1,0]=3 2840 B12R1.21 C[C@@H](O)CSc1ccc(nc1)Cl 62a_100009817552_100000034144 [0,1,0,0,0,0|1,1,0]=3 2841 B12R1.21 C[C@@H](O)CSc1ccc(nc1)F 62a_100000042367_100009817552 [0,1,0,0,0,0|1,2,0]=4 2842 B12R1.21 C[C@@H](O)CSc1ccc(nc1)F 62a_100009817552_100000042367 [0,1,0,0,0,0|1,2,0]=4 2843 B12R1.21 C[C@@H](O)CSc1ccc(nc1)N 62a_100000187370_100009817552 [0,1,0,0,0,0|2,1,0]=4 2844 B12R1.21 C[C@@H](O)CSc1ccc(nc1)N 62a_100009817552_100000187370 [0,1,0,0,0,0|2,1,0]=4 2845 B12R1.21 C[C@@H](O)CSc1ccc(nn1)Cl 62a_100000068654_100009817552 [0,1,0,0,0,0|2,1,0]=4 2846 B12R1.21 C[C@@H](O)CSc1ccc(nn1)Cl 62a_100009817552_100000068654 [0,1,0,0,0,0|2,1,0]=4 2847 B12R1.21 C[C@@H](O)CSc1cnc(cn1)Cl 62a_100009817552_100010214907 [0,1,0,0,0,0|2,1,0]=4 2848 B12R1.21 C[C@@H](O)CSc1cnc(cn1)Cl 62a_100010214907_100009817552 [0,1,0,0,0,0|2,1,0]=4 2849 B12R1.21 C[C@@H](O)CSc1cnc(nc1)Cl 62a_100000059775_100009817552 [0,1,0,0,0,0|2,1,0]=4 2850 B12R1.21 C[C@@H](O)CSc1cnc(nc1)Cl 62a_100009817552_100000059775 [0,1,0,0,0,0|2,1,0]=4 2851 B12R1.21 C[C@@H](O)CSc1ncc(cn1)Cl 62a_100009817552_100011356929 [0,1,0,0,0,0|2,1,0]=4 2852 B12R1.21 C[C@@H](O)CSc1ncc(cn1)Cl 62a_100011356929_100009817552 [0,1,0,0,0,0|2,1,0]=4 2853 B12R1.21 Cc1ccc(cc1)C=CC(C)O 271570a_200011019289_100000186775 [0,1,0,0,0,0|2,0,1]=4 2854 B12R1.21 Cc1ccc(cc1)NCC(C)C 34a_100000124888_100000210624 [0,1,0,0,0,0|3,0,0]=4 2855 B12R1.21 Cc1ccc(cc1)NCC(C)O 34a_100000124888_100011218427 [0,1,0,0,0,0|2,0,0]=3 2856 B12R1.21 Cc1ccc(cc1)NCC(F)F 34a_100000124888_100011934356 [0,1,0,0,0,0|3,0,0]=4 2857 B12R1.21 Cc1ccc(cc1)NC[C@@H](C)O 34a_100000124888_100009817552 [0,1,0,0,0,0|2,0,0]=3 2858 B12R1.21 Cc1ccc(cc1)OCC(=O)N 34a_100000210336_100000187820 [0,1,0,0,0,0|1,0,2]=4 2859 B12R1.21 Cc1ccc(cc1)OCC(=O)N 7a_100000210336_100000187820 [0,1,0,0,0,0|1,0,2]=4 2860 B12R1.21 Cc1ccc(cc1)OCC(=O)[13CH3] 1458a_100000182360_200025704644 [0,1,0,0,0,0|1,0,2]=4 2861 B12R1.21 Cc1ccc(cc1)OCC(=O)[O-] 34a_100000210336_100020667443 [0,1,0,0,0,0|1,0,2]=4 2862 B12R1.21 Cc1ccc(cc1)OCC(C)C 34a_100000210336_100000210624 [0,1,0,0,0,0|2,0,0]=3 2863 B12R1.21 Cc1ccc(cc1)OCC(C)C 7a_100000210336_100000210760 [0,1,0,0,0,0|2,0,0]=3 2864 B12R1.21 Cc1ccc(cc1)OCC(C)O 34a_100000210336_100011218427 [0,1,0,0,0,0|1,0,0]=2 2865 B12R1.21 Cc1ccc(cc1)OCC(C)O 7a_100000210336_100011218427 [0,1,0,0,0,0|1,0,0]=2 2866 B12R1.21 Cc1ccc(cc1)OCC(F)F 34a_100000210336_100011934356 [0,1,0,0,0,0|2,0,0]=3 2867 B12R1.21 Cc1ccc(cc1)OCC(F)F 7a_100000210336_100011934356 [0,1,0,0,0,0|2,0,0]=3 2868 B12R1.21 Cc1ccc(cc1)OC[C@@H](C)O 34a_100000210336_100009817552 [0,1,0,0,0,0|1,0,0]=2 2869 B12R1.21 Cc1ccc(cc1)OC[C@@H](C)O 7a_100000210336_100009817552 [0,1,0,0,0,0|1,0,0]=2 2870 B12R1.21 Cc1ccc(cc1)OC[N+](=O)[O-] 34a_100000210336_100000761209 [0,1,0,0,0,0|2,0,1]=4 2871 B12R1.21 Cc1ccc(cc1)SCC(C)C 62a_100000186775_100000210760 [0,1,0,0,0,0|2,1,0]=4 2872 B12R1.21 Cc1ccc(cc1)SCC(C)C 62a_100000210624_100000186775 [0,1,0,0,0,0|2,1,0]=4 2873 B12R1.21 Cc1ccc(cc1)SCC(C)O 62a_100000186775_100011218427 [0,1,0,0,0,0|1,1,0]=3 2874 B12R1.21 Cc1ccc(cc1)SCC(C)O 62a_100011218427_100000186775 [0,1,0,0,0,0|1,1,0]=3 2875 B12R1.21 Cc1ccc(cc1)SCC(F)F 62a_100000186775_100011934356 [0,1,0,0,0,0|2,1,0]=4 2876 B12R1.21 Cc1ccc(cc1)SCC(F)F 62a_100011934356_100000186775 [0,1,0,0,0,0|2,1,0]=4 2877 B12R1.21 Cc1ccc(cc1)SC[C@@H](C)O 62a_100000186775_100009817552 [0,1,0,0,0,0|1,1,0]=3 2878 B12R1.21 Cc1ccc(cc1)SC[C@@H](C)O 62a_100009817552_100000186775 [0,1,0,0,0,0|1,1,0]=3 2879 B12R1.21 Cc1ccc(cn1)OCC(C)C 34a_100000745506_100000210624 [0,1,0,0,0,0|3,0,0]=4 2880 B12R1.21 Cc1ccc(cn1)OCC(C)C 7a_100000745506_100000210760 [0,1,0,0,0,0|3,0,0]=4 2881 B12R1.21 Cc1ccc(cn1)OCC(C)O 34a_100000745506_100011218427 [0,1,0,0,0,0|2,0,0]=3 2882 B12R1.21 Cc1ccc(cn1)OCC(C)O 7a_100000745506_100011218427 [0,1,0,0,0,0|2,0,0]=3 2883 B12R1.21 Cc1ccc(cn1)OCC(F)F 34a_100000745506_100011934356 [0,1,0,0,0,0|3,0,0]=4 2884 B12R1.21 Cc1ccc(cn1)OCC(F)F 7a_100000745506_100011934356 [0,1,0,0,0,0|3,0,0]=4 2885 B12R1.21 Cc1ccc(cn1)OC[C@@H](C)O 34a_100000745506_100009817552 [0,1,0,0,0,0|2,0,0]=3 2886 B12R1.21 Cc1ccc(cn1)OC[C@@H](C)O 7a_100000745506_100009817552 [0,1,0,0,0,0|2,0,0]=3 2887 B12R1.21 Cc1ccc(cn1)SCC(C)O 62a_100000751577_100011218427 [0,1,0,0,0,0|2,1,0]=4 2888 B12R1.21 Cc1ccc(cn1)SCC(C)O 62a_100011218427_100000751577 [0,1,0,0,0,0|2,1,0]=4 2889 B12R1.21 Cc1ccc(cn1)SC[C@@H](C)O 62a_100000751577_100009817552 [0,1,0,0,0,0|2,1,0]=4 2890 B12R1.21 Cc1ccc(cn1)SC[C@@H](C)O 62a_100009817552_100000751577 [0,1,0,0,0,0|2,1,0]=4 2891 B12R1.21 Cc1ccc(nc1)OCC(C)C 34a_100000759353_100000210624 [0,1,0,0,0,0|3,0,0]=4 2892 B12R1.21 Cc1ccc(nc1)OCC(C)O 34a_100000759353_100011218427 [0,1,0,0,0,0|2,0,0]=3 2893 B12R1.21 Cc1ccc(nc1)OCC(F)F 34a_100000759353_100011934356 [0,1,0,0,0,0|3,0,0]=4 2894 B12R1.21 Cc1ccc(nc1)OC[C@@H](C)O 34a_100000759353_100009817552 [0,1,0,0,0,0|2,0,0]=3 2895 B12R1.21 Cc1ccc(nc1)SCC(C)O 62a_100011192072_100011218427 [0,1,0,0,0,0|2,1,0]=4 2896 B12R1.21 Cc1ccc(nc1)SCC(C)O 62a_100011218427_100000754016 [0,1,0,0,0,0|2,1,0]=4 2897 B12R1.21 Cc1ccc(nc1)SC[C@@H](C)O 62a_100009817552_100000754016 [0,1,0,0,0,0|2,1,0]=4 2898 B12R1.21 Cc1ccc(nc1)SC[C@@H](C)O 62a_100011192072_100009817552 [0,1,0,0,0,0|2,1,0]=4 2899 B12R1.21 Cc1ncc(cn1)OCC(C)O 34a_100000062939_100011218427 [0,1,0,0,0,0|3,0,0]=4 2900 B12R1.21 Cc1ncc(cn1)OCC(C)O 7a_100000062939_100011218427 [0,1,0,0,0,0|3,0,0]=4 2901 B12R1.21 Cc1ncc(cn1)OC[C@@H](C)O 34a_100000062939_100009817552 [0,1,0,0,0,0|3,0,0]=4 2902 B12R1.21 Cc1ncc(cn1)OC[C@@H](C)O 7a_100000062939_100009817552 [0,1,0,0,0,0|3,0,0]=4 2903 B12R1.21 FC(F)CNc1ccc(cc1)Br 2230a_100000210018_100011934356 [0,1,0,0,0,0|2,1,0]=4 2904 B12R1.21 FC(F)CNc1ccc(cc1)Br 34a_100000210018_100011934356 [0,1,0,0,0,0|2,1,0]=4 2905 B12R1.21 FC(F)CNc1ccc(cc1)Cl 2230a_100000210052_100011934356 [0,1,0,0,0,0|2,0,0]=3 2906 B12R1.21 FC(F)CNc1ccc(cc1)Cl 34a_100000210052_100011934356 [0,1,0,0,0,0|2,0,0]=3 2907 B12R1.21 FC(F)CNc1ccc(cc1)I 34a_100000185761_100011934356 [0,1,0,0,0,0|2,1,0]=4 2908 B12R1.21 FC(F)COc1ccc(cc1)Br 34a_100000185759_100011934356 [0,1,0,0,0,0|1,1,0]=3 2909 B12R1.21 FC(F)COc1ccc(cc1)Br 7a_100000185759_100011934356 [0,1,0,0,0,0|1,1,0]=3 2910 B12R1.21 FC(F)COc1ccc(cc1)Cl 34a_100000210216_100011934356 [0,1,0,0,0,0|1,0,0]=2 2911 B12R1.21 FC(F)COc1ccc(cc1)Cl 7a_100000210216_100011934356 [0,1,0,0,0,0|1,0,0]=2 2912 B12R1.21 FC(F)COc1ccc(cc1)I 34a_100000212066_100011934356 [0,1,0,0,0,0|1,1,0]=3 2913 B12R1.21 FC(F)COc1ccc(cc1)I 7a_100000212066_100011934356 [0,1,0,0,0,0|1,1,0]=3 2914 B12R1.21 FC(F)COc1ccc(cn1)Cl 34a_100011215309_100011934356 [0,1,0,0,0,0|2,0,0]=3 2915 B12R1.21 FC(F)COc1ccc(nc1)Br 34a_100000685995_100011934356 [0,1,0,0,0,0|2,1,0]=4 2916 B12R1.21 FC(F)COc1ccc(nc1)Br 7a_100000685995_100011934356 [0,1,0,0,0,0|2,1,0]=4 2917 B12R1.21 FC(F)COc1ccc(nc1)Cl 34a_100000744096_100011934356 [0,1,0,0,0,0|2,0,0]=3 2918 B12R1.21 FC(F)COc1ccc(nc1)Cl 7a_100000744096_100011934356 [0,1,0,0,0,0|2,0,0]=3 2919 B12R1.21 FC(F)COc1ccc(nc1)I 34a_100000687607_100011934356 [0,1,0,0,0,0|2,1,0]=4 2920 B12R1.21 FC(F)COc1ccc(nc1)I 7a_100000687607_100011934356 [0,1,0,0,0,0|2,1,0]=4 2921 B12R1.21 FC(F)COc1cnc(cn1)Cl 34a_100015839800_100011934356 [0,1,0,0,0,0|3,0,0]=4 2922 B12R1.21 FC(F)COc1cnc(nc1)Cl 34a_100000092845_100011934356 [0,1,0,0,0,0|3,0,0]=4 2923 B12R1.21 FC(F)COc1cnc(nc1)Cl 7a_100000092845_100011934356 [0,1,0,0,0,0|3,0,0]=4 2924 B12R1.21 FC(F)CSc1ccc(cc1)Br 62a_100000752885_100011934356 [0,1,0,0,0,0|1,2,0]=4 2925 B12R1.21 FC(F)CSc1ccc(cc1)Br 62a_100011934356_100000752885 [0,1,0,0,0,0|1,2,0]=4 2926 B12R1.21 FC(F)CSc1ccc(cc1)Cl 62a_100000755918_100011934356 [0,1,0,0,0,0|1,1,0]=3 2927 B12R1.21 FC(F)CSc1ccc(cc1)Cl 62a_100011934356_100000755918 [0,1,0,0,0,0|1,1,0]=3 2928 B12R1.21 FC(F)CSc1ccc(cn1)Cl 62a_100011356976_100011934356 [0,1,0,0,0,0|2,1,0]=4 2929 B12R1.21 FC(F)CSc1ccc(cn1)Cl 62a_100011934356_100011356976 [0,1,0,0,0,0|2,1,0]=4 2930 B12R1.21 FC(F)CSc1ccc(nc1)Cl 62a_100000034144_100011934356 [0,1,0,0,0,0|2,1,0]=4 2931 B12R1.21 FC(F)CSc1ccc(nc1)Cl 62a_100011934356_100000034144 [0,1,0,0,0,0|2,1,0]=4 2932 B12R1.21 Fc1ccc(cc1)NCC(F)F 34a_100000185862_100011934356 [0,1,0,0,0,0|2,1,0]=4 2933 B12R1.21 Fc1ccc(cc1)OCC(F)F 34a_100000210339_100011934356 [0,1,0,0,0,0|1,1,0]=3 2934 B12R1.21 Fc1ccc(cc1)SCC(F)F 62a_100000211213_100011934356 [0,1,0,0,0,0|1,2,0]=4 2935 B12R1.21 Fc1ccc(cc1)SCC(F)F 62a_100011934356_100000211213 [0,1,0,0,0,0|1,2,0]=4 2936 B12R1.21 Fc1ccc(cn1)OCC(F)F 34a_100000688820_100011934356 [0,1,0,0,0,0|2,1,0]=4 2937 B12R1.21 Fc1ccc(cn1)OCC(F)F 7a_100000688820_100011934356 [0,1,0,0,0,0|2,1,0]=4 2938 B12R1.21 Fc1ccc(nc1)OCC(F)F 34a_100000742473_100011934356 [0,1,0,0,0,0|2,1,0]=4 2939 B12R1.21 NC(=O)CNc1ccc(cc1)Cl 2230a_100000210052_100000747473 [0,1,0,0,0,0|1,0,2]=4 2940 B12R1.21 NC(=O)CNc1ccc(cc1)Cl 34a_100000210052_100000187820 [0,1,0,0,0,0|1,0,2]=4 2941 B12R1.21 NC(=O)COc1ccc(cc1)Br 34a_100000185759_100000187820 [0,1,0,0,0,0|0,1,2]=4 2942 B12R1.21 NC(=O)COc1ccc(cc1)Br 7a_100000185759_100000187820 [0,1,0,0,0,0|0,1,2]=4 2943 B12R1.21 NC(=O)COc1ccc(cc1)Cl 34a_100000210216_100000187820 [0,1,0,0,0,0|0,0,2]=3 2944 B12R1.21 NC(=O)COc1ccc(cc1)Cl 7a_100000210216_100000187820 [0,1,0,0,0,0|0,0,2]=3 2945 B12R1.21 NC(=O)COc1ccc(cc1)F 34a_100000210339_100000187820 [0,1,0,0,0,0|0,1,2]=4 2946 B12R1.21 NC(=O)COc1ccc(cc1)I 34a_100000212066_100000187820 [0,1,0,0,0,0|0,1,2]=4 2947 B12R1.21 NC(=O)COc1ccc(cc1)I 7a_100000212066_100000187820 [0,1,0,0,0,0|0,1,2]=4 2948 B12R1.21 NC(=O)COc1ccc(cc1)N 34a_100000185829_100000187820 [0,1,0,0,0,0|1,0,2]=4 2949 B12R1.21 NC(=O)COc1ccc(cn1)Cl 34a_100011215309_100000187820 [0,1,0,0,0,0|1,0,2]=4 2950 B12R1.21 NC(=O)COc1ccc(nc1)Cl 34a_100000744096_100000187820 [0,1,0,0,0,0|1,0,2]=4 2951 B12R1.21 NC(=O)COc1ccc(nc1)Cl 7a_100000744096_100000187820 [0,1,0,0,0,0|1,0,2]=4 2952 B12R1.21 NC(=O)CSc1ccc(cc1)Cl 62a_100000747473_100000755918 [0,1,0,0,0,0|0,1,2]=4 2953 B12R1.21 NC(=O)CSc1ccc(cc1)Cl 62a_100000755918_100000747473 [0,1,0,0,0,0|0,1,2]=4 2954 B12R1.21 Nc1ccc(cc1)OCC(=O)[O-] 34a_100000185829_100020667443 [0,1,0,0,0,0|1,0,2]=4 2955 B12R1.21 Nc1ccc(cc1)OCC(F)F 34a_100000185829_100011934356 [0,1,0,0,0,0|2,0,0]=3 2956 B12R1.21 Nc1ccc(cc1)OC[N+](=O)[O-] 34a_100000185829_100000761209 [0,1,0,0,0,0|2,0,1]=4 2957 B12R1.21 Nc1ccc(cc1)SCC(F)F 62a_100000185761_100011934356 [0,1,0,0,0,0|2,1,0]=4 2958 B12R1.21 Nc1ccc(cc1)SCC(F)F 62a_100011934356_100000185761 [0,1,0,0,0,0|2,1,0]=4 2959 B12R1.21 Nc1ccc(cn1)OCC(F)F 34a_100015188713_100011934356 [0,1,0,0,0,0|3,0,0]=4 2960 B12R1.21 Nc1ccc(cn1)OCC(F)F 7a_100015188713_100011934356 [0,1,0,0,0,0|3,0,0]=4 2961 B12R1.21 Nc1ccc(nc1)OCC(F)F 34a_100000729260_100011934356 [0,1,0,0,0,0|3,0,0]=4 2962 B12R1.21 O=C([O-])CNc1ccc(cc1)Cl 34a_100000210052_100020667443 [0,1,0,0,0,0|1,0,2]=4 2963 B12R1.21 O=C([O-])COc1ccc(cc1)Br 34a_100000185759_100020667443 [0,1,0,0,0,0|0,1,2]=4 2964 B12R1.21 O=C([O-])COc1ccc(cc1)Cl 34a_100000210216_100020667443 [0,1,0,0,0,0|0,0,2]=3 2965 B12R1.21 O=C([O-])COc1ccc(cc1)F 34a_100000210339_100020667443 [0,1,0,0,0,0|0,1,2]=4 2966 B12R1.21 O=C([O-])COc1ccc(cc1)I 34a_100000212066_100020667443 [0,1,0,0,0,0|0,1,2]=4 2967 B12R1.21 O=C([O-])COc1ccc(cn1)Cl 34a_100011215309_100020667443 [0,1,0,0,0,0|1,0,2]=4 2968 B12R1.21 O=C([O-])COc1ccc(nc1)Cl 34a_100000744096_100020667443 [0,1,0,0,0,0|1,0,2]=4 2969 B12R1.21 O=C([O-])CSc1ccc(cc1)Cl 62a_100000755918_100020667443 [0,1,0,0,0,0|0,1,2]=4 2970 B12R1.21 O=C([O-])CSc1ccc(cc1)Cl 62a_100020667443_100000755918 [0,1,0,0,0,0|0,1,2]=4 2971 B12R1.21 O=[N+]([O-])CNc1ccc(cc1)Cl 34a_100000210052_100000761209 [0,1,0,0,0,0|2,0,1]=4 2972 B12R1.21 O=[N+]([O-])COc1ccc(cc1)Br 34a_100000185759_100000761209 [0,1,0,0,0,0|1,1,1]=4 2973 B12R1.21 O=[N+]([O-])COc1ccc(cc1)Cl 34a_100000210216_100000761209 [0,1,0,0,0,0|1,0,1]=3 2974 B12R1.21 O=[N+]([O-])COc1ccc(cc1)F 34a_100000210339_100000761209 [0,1,0,0,0,0|1,1,1]=4 2975 B12R1.21 O=[N+]([O-])COc1ccc(cc1)I 34a_100000212066_100000761209 [0,1,0,0,0,0|1,1,1]=4 2976 B12R1.21 O=[N+]([O-])COc1ccc(cn1)Cl 34a_100011215309_100000761209 [0,1,0,0,0,0|2,0,1]=4 2977 B12R1.21 O=[N+]([O-])COc1ccc(nc1)Cl 34a_100000744096_100000761209 [0,1,0,0,0,0|2,0,1]=4 2978 B12R1.21 O=[N+]([O-])CSc1ccc(cc1)Cl 62a_100000755918_100000761209 [0,1,0,0,0,0|1,1,1]=4 2979 B12R1.21 O=c1ccc(c[nH]1)OCC(F)F 34a_100000075641_100011934356 [0,1,0,0,0,0|3,0,0]=4 2980 B12R1.21 Oc1ccc(cc1)NCC(F)F 34a_100000185829_100011934356 [0,1,0,0,0,0|3,0,0]=4 2981 B12R1.21 Oc1ccc(cc1)SCC(F)F 62a_100011934356_100000185759 [0,1,0,0,0,0|2,1,0]=4 2982 B12R1.21 [13CH3]C(=O)CCc1ccc(cc1)Cl 1458a_100000235379_200025704644 [0,1,0,0,0,0|1,0,2]=4 2983 B12R1.21 [13CH3]C(=O)COc1ccc(cc1)Br 1458a_100000182358_200025704644 [0,1,0,0,0,0|0,1,2]=4 2984 B12R1.21 [13CH3]C(=O)COc1ccc(cc1)Cl 1458a_100016990877_200025704644 [0,1,0,0,0,0|0,0,2]=3 2985 B12R1.21 [13CH3]C(=O)COc1ccc(cc1)F 1458a_100000184765_200025704644 [0,1,0,0,0,0|0,1,2]=4 2986 B12R1.21 [13CH3]C(=O)COc1ccc(cc1)I 1458a_100000184369_200025704644 [0,1,0,0,0,0|0,1,2]=4 2987 B12R1.21 [13CH3]C(=O)COc1ccc(cc1)O 1458a_100000031633_200025704644 [0,1,0,0,0,0|1,0,2]=4 2988 B12R1.21 [13CH3]C(=O)CSc1ccc(cc1)Cl 1458a_100000178402_200025704644 [0,1,0,0,0,0|0,1,2]=4 2989 B12R1.49 C#CC(C)Nc1ccc(cc1)Cl 34a_100000210052_200000035995 [0,1,0,0,0,0|2,0,1]=4 2990 B12R1.49 C#CC(C)Oc1ccc(cc1)Br 34a_100000185759_200000035995 [0,1,0,0,0,0|1,1,1]=4 2991 B12R1.49 C#CC(C)Oc1ccc(cc1)C 34a_100000210336_200000035995 [0,1,0,0,0,0|2,0,1]=4 2992 B12R1.49 C#CC(C)Oc1ccc(cc1)Cl 34a_100000210216_200000035995 [0,1,0,0,0,0|1,0,1]=3 2993 B12R1.49 C#CC(C)Oc1ccc(cc1)F 34a_100000210339_200000035995 [0,1,0,0,0,0|1,1,1]=4 2994 B12R1.49 C#CC(C)Oc1ccc(cc1)I 34a_100000212066_200000035995 [0,1,0,0,0,0|1,1,1]=4 2995 B12R1.49 C#CC(C)Oc1ccc(cc1)N 34a_100000185829_200000035995 [0,1,0,0,0,0|2,0,1]=4 2996 B12R1.49 C#CC(C)Oc1ccc(cn1)Cl 34a_100011215309_200000035995 [0,1,0,0,0,0|2,0,1]=4 2997 B12R1.49 C#CC(C)Oc1ccc(nc1)Cl 34a_100000744096_200000035995 [0,1,0,0,0,0|2,0,1]=4 2998 B12R1.49 C#CC(C)Sc1ccc(cc1)Cl 62a_200000035995_100000755918 [0,1,0,0,0,0|1,1,1]=4 2999 B12R1.49 C=CC(C)Sc1ccc(cc1)Cl 62a_100011215867_100000755918 [0,1,0,0,0,0|1,1,1]=4 3000 B12R1.49 CC(C#N)Nc1ccc(cc1)Cl 2230a_100000210052_100000184139 [0,1,0,0,0,0|2,0,1]=4 3001 B12R1.49 CC(C#N)Oc1ccc(cc1)Br 7a_100000185759_100000703298 [0,1,0,0,0,0|1,1,1]=4 3002 B12R1.49 CC(C#N)Oc1ccc(cc1)Cl 7a_100000210216_100000703298 [0,1,0,0,0,0|1,0,1]=3 3003 B12R1.49 CC(C#N)Oc1ccc(cc1)I 7a_100000212066_100000703298 [0,1,0,0,0,0|1,1,1]=4 3004 B12R1.49 CC(C#N)Oc1ccc(nc1)Cl 7a_100000744096_100000703298 [0,1,0,0,0,0|2,0,1]=4 3005 B12R1.49 CC(C#N)Sc1ccc(cc1)Cl 62a_100000703298_100000755918 [0,1,0,0,0,0|1,1,1]=4 3006 B12R1.49 CC(C#N)Sc1ccc(cc1)Cl 62a_100000755918_100000703298 [0,1,0,0,0,0|1,1,1]=4 3007 B12R1.49 CC(CO)Nc1ccc(cc1)Br 2230a_100000210018_100012180447 [0,1,0,0,0,0|1,1,0]=3 3008 B12R1.49 CC(CO)Nc1ccc(cc1)Br 34a_100000210018_100012180447 [0,1,0,0,0,0|1,1,0]=3 3009 B12R1.49 CC(CO)Nc1ccc(cc1)Cl 2230a_100000210052_100012180447 [0,1,0,0,0,0|1,0,0]=2 3010 B12R1.49 CC(CO)Nc1ccc(cc1)Cl 34a_100000210052_100012180447 [0,1,0,0,0,0|1,0,0]=2 3011 B12R1.49 CC(CO)Nc1ccc(cc1)F 34a_100000185862_100012180447 [0,1,0,0,0,0|1,1,0]=3 3012 B12R1.49 CC(CO)Nc1ccc(cc1)I 34a_100000185761_100012180447 [0,1,0,0,0,0|1,1,0]=3 3013 B12R1.49 CC(CO)Nc1ccc(cc1)O 34a_100000185829_100012180447 [0,1,0,0,0,0|2,0,0]=3 3014 B12R1.49 CC(CO)Oc1ccc(=O)[nH]c1 34a_100000075641_100012180447 [0,1,0,0,0,0|2,0,0]=3 3015 B12R1.49 CC(CO)Oc1ccc(cc1)Br 34a_100000185759_100012180447 [0,1,0,0,0,0|0,1,0]=2 3016 B12R1.49 CC(CO)Oc1ccc(cc1)Br 7a_100000185759_100012180447 [0,1,0,0,0,0|0,1,0]=2 3017 B12R1.49 CC(CO)Oc1ccc(cc1)Cl 34a_100000210216_100012180447 [0,1,0,0,0,0|0,0,0]=1 3018 B12R1.49 CC(CO)Oc1ccc(cc1)Cl 7a_100000210216_100012180447 [0,1,0,0,0,0|0,0,0]=1 3019 B12R1.49 CC(CO)Oc1ccc(cc1)F 34a_100000210339_100012180447 [0,1,0,0,0,0|0,1,0]=2 3020 B12R1.49 CC(CO)Oc1ccc(cc1)I 34a_100000212066_100012180447 [0,1,0,0,0,0|0,1,0]=2 3021 B12R1.49 CC(CO)Oc1ccc(cc1)I 7a_100000212066_100012180447 [0,1,0,0,0,0|0,1,0]=2 3022 B12R1.49 CC(CO)Oc1ccc(cc1)N 34a_100000185829_100012180447 [0,1,0,0,0,0|1,0,0]=2 3023 B12R1.49 CC(CO)Oc1ccc(cn1)Cl 34a_100011215309_100012180447 [0,1,0,0,0,0|1,0,0]=2 3024 B12R1.49 CC(CO)Oc1ccc(cn1)F 34a_100000742473_100012180447 [0,1,0,0,0,0|1,1,0]=3 3025 B12R1.49 CC(CO)Oc1ccc(cn1)N 34a_100000729260_100012180447 [0,1,0,0,0,0|2,0,0]=3 3026 B12R1.49 CC(CO)Oc1ccc(nc1)Br 34a_100000685995_100012180447 [0,1,0,0,0,0|1,1,0]=3 3027 B12R1.49 CC(CO)Oc1ccc(nc1)Br 7a_100000685995_100012180447 [0,1,0,0,0,0|1,1,0]=3 3028 B12R1.49 CC(CO)Oc1ccc(nc1)Cl 34a_100000744096_100012180447 [0,1,0,0,0,0|1,0,0]=2 3029 B12R1.49 CC(CO)Oc1ccc(nc1)Cl 7a_100000744096_100012180447 [0,1,0,0,0,0|1,0,0]=2 3030 B12R1.49 CC(CO)Oc1ccc(nc1)F 34a_100000688820_100012180447 [0,1,0,0,0,0|1,1,0]=3 3031 B12R1.49 CC(CO)Oc1ccc(nc1)F 7a_100000688820_100012180447 [0,1,0,0,0,0|1,1,0]=3 3032 B12R1.49 CC(CO)Oc1ccc(nc1)I 34a_100000687607_100012180447 [0,1,0,0,0,0|1,1,0]=3 3033 B12R1.49 CC(CO)Oc1ccc(nc1)I 7a_100000687607_100012180447 [0,1,0,0,0,0|1,1,0]=3 3034 B12R1.49 CC(CO)Oc1ccc(nc1)N 34a_100015188713_100012180447 [0,1,0,0,0,0|2,0,0]=3 3035 B12R1.49 CC(CO)Oc1ccc(nc1)N 7a_100015188713_100012180447 [0,1,0,0,0,0|2,0,0]=3 3036 B12R1.49 CC(CO)Oc1cnc(cn1)Br 34a_100011934580_100012180447 [0,1,0,0,0,0|2,1,0]=4 3037 B12R1.49 CC(CO)Oc1cnc(cn1)Cl 34a_100015839800_100012180447 [0,1,0,0,0,0|2,0,0]=3 3038 B12R1.49 CC(CO)Oc1cnc(nc1)Br 34a_100000730009_100012180447 [0,1,0,0,0,0|2,1,0]=4 3039 B12R1.49 CC(CO)Oc1cnc(nc1)Br 7a_100000730009_100012180447 [0,1,0,0,0,0|2,1,0]=4 3040 B12R1.49 CC(CO)Oc1cnc(nc1)Cl 34a_100000092845_100012180447 [0,1,0,0,0,0|2,0,0]=3 3041 B12R1.49 CC(CO)Oc1cnc(nc1)Cl 7a_100000092845_100012180447 [0,1,0,0,0,0|2,0,0]=3 3042 B12R1.49 CC(CO)Oc1cnc(nc1)F 34a_200009874573_100012180447 [0,1,0,0,0,0|2,1,0]=4 3043 B12R1.49 CC(CO)Oc1cnc(nc1)F 7a_200009874573_100012180447 [0,1,0,0,0,0|2,1,0]=4 3044 B12R1.49 CC(CO)Oc1cnc(nc1)N 34a_100000087137_100012180447 [0,1,0,0,0,0|3,0,0]=4 3045 B12R1.49 CC(CO)Oc1cnc(nc1)N 7a_100000087137_100012180447 [0,1,0,0,0,0|3,0,0]=4 3046 B12R1.49 CC(CO)Oc1ncc(cn1)F 34a_100011934040_100012180447 [0,1,0,0,0,0|2,1,0]=4 3047 B12R1.49 CC(CO)Sc1cc[n+](cc1)[O-] 62a_100012180447_100000039755 [0,1,0,0,0,0|2,1,0]=4 3048 B12R1.49 CC(CO)Sc1ccc(=O)[nH]c1 62a_100012180447_100000212171 [0,1,0,0,0,0|2,1,0]=4 3049 B12R1.49 CC(CO)Sc1ccc(cc1)Br 62a_100012180447_100000752885 [0,1,0,0,0,0|0,2,0]=3 3050 B12R1.49 CC(CO)Sc1ccc(cc1)Cl 62a_100012180447_100000755918 [0,1,0,0,0,0|0,1,0]=2 3051 B12R1.49 CC(CO)Sc1ccc(cc1)F 62a_100012180447_100000211213 [0,1,0,0,0,0|0,2,0]=3 3052 B12R1.49 CC(CO)Sc1ccc(cc1)N 62a_100012180447_100000185761 [0,1,0,0,0,0|1,1,0]=3 3053 B12R1.49 CC(CO)Sc1ccc(cc1)O 62a_100012180447_100000185759 [0,1,0,0,0,0|1,1,0]=3 3054 B12R1.49 CC(CO)Sc1ccc(cn1)Br 62a_100012180447_100000686858 [0,1,0,0,0,0|1,2,0]=4 3055 B12R1.49 CC(CO)Sc1ccc(cn1)Cl 62a_100012180447_100011356976 [0,1,0,0,0,0|1,1,0]=3 3056 B12R1.49 CC(CO)Sc1ccc(cn1)F 62a_100012180447_100000744514 [0,1,0,0,0,0|1,2,0]=4 3057 B12R1.49 CC(CO)Sc1ccc(cn1)N 62a_100012180447_100000737798 [0,1,0,0,0,0|2,1,0]=4 3058 B12R1.49 CC(CO)Sc1ccc(cn1)O 62a_100012180447_100000744096 [0,1,0,0,0,0|2,1,0]=4 3059 B12R1.49 CC(CO)Sc1ccc(nc1)Br 62a_100012180447_100009814638 [0,1,0,0,0,0|1,2,0]=4 3060 B12R1.49 CC(CO)Sc1ccc(nc1)Cl 62a_100012180447_100000034144 [0,1,0,0,0,0|1,1,0]=3 3061 B12R1.49 CC(CO)Sc1ccc(nc1)F 62a_100012180447_100000042367 [0,1,0,0,0,0|1,2,0]=4 3062 B12R1.49 CC(CO)Sc1ccc(nc1)N 62a_100012180447_100000187370 [0,1,0,0,0,0|2,1,0]=4 3063 B12R1.49 CC(CO)Sc1ccc(nn1)Cl 62a_100012180447_100000068654 [0,1,0,0,0,0|2,1,0]=4 3064 B12R1.49 CC(CO)Sc1cnc(cn1)Cl 62a_100012180447_100010214907 [0,1,0,0,0,0|2,1,0]=4 3065 B12R1.49 CC(CO)Sc1cnc(nc1)Cl 62a_100012180447_100000059775 [0,1,0,0,0,0|2,1,0]=4 3066 B12R1.49 CC(CO)Sc1ncc(cn1)Cl 62a_100012180447_100011356929 [0,1,0,0,0,0|2,1,0]=4 3067 B12R1.49 CCC(=O)Cc1ccc(cc1)Cl 1458a_100000210414_100000694040 [0,1,0,0,0,0|2,0,1]=4 3068 B12R1.49 CCC(=O)Cc1ccc(cc1)Cl 1458a_100000211027_100000210202 [0,1,0,0,0,0|2,0,1]=4 3069 B12R1.49 CCC(=O)Nc1ccc(cc1)Cl 11a_100000210052_100000210414 [0,1,0,0,0,0|2,0,1]=4 3070 B12R1.49 CCC(=O)Nc1ccc(cc1)Cl 1626a_100000210052_100000210414 [0,1,0,0,0,0|2,0,1]=4 3071 B12R1.49 CCC(=O)Nc1ccc(cc1)Cl 22a_100000210052_100000210414 [0,1,0,0,0,0|2,0,1]=4 3072 B12R1.49 CCC(=O)Nc1ccc(cc1)Cl 527a_100000210052_100000210414 [0,1,0,0,0,0|2,0,1]=4 3073 B12R1.49 CCC(=O)Oc1ccc(cc1)O 271570a_203496583355_200009811598 [0,1,0,0,0,0|2,0,1]=4 3074 B12R1.49 CCC(C)Nc1ccc(cc1)Br 2230a_100000210018_100000758301 [0,1,0,0,0,0|2,1,0]=4 3075 B12R1.49 CCC(C)Nc1ccc(cc1)Br 34a_100000210018_100011215416 [0,1,0,0,0,0|2,1,0]=4 3076 B12R1.49 CCC(C)Nc1ccc(cc1)C 34a_100000124888_100011215416 [0,1,0,0,0,0|3,0,0]=4 3077 B12R1.49 CCC(C)Nc1ccc(cc1)Cl 2230a_100000210052_100000758301 [0,1,0,0,0,0|2,0,0]=3 3078 B12R1.49 CCC(C)Nc1ccc(cc1)Cl 34a_100000210052_100011215416 [0,1,0,0,0,0|2,0,0]=3 3079 B12R1.49 CCC(C)Nc1ccc(cc1)F 34a_100000185862_100011215416 [0,1,0,0,0,0|2,1,0]=4 3080 B12R1.49 CCC(C)Nc1ccc(cc1)I 34a_100000185761_100011215416 [0,1,0,0,0,0|2,1,0]=4 3081 B12R1.49 CCC(C)Nc1ccc(cc1)O 34a_100000185829_100011215416 [0,1,0,0,0,0|3,0,0]=4 3082 B12R1.49 CCC(C)Oc1ccc(=O)[nH]c1 34a_100000075641_100011215416 [0,1,0,0,0,0|3,0,0]=4 3083 B12R1.49 CCC(C)Oc1ccc(cc1)Br 34a_100000185759_100011215416 [0,1,0,0,0,0|1,1,0]=3 3084 B12R1.49 CCC(C)Oc1ccc(cc1)Br 7a_100000185759_100000758301 [0,1,0,0,0,0|1,1,0]=3 3085 B12R1.49 CCC(C)Oc1ccc(cc1)C 34a_100000210336_100011215416 [0,1,0,0,0,0|2,0,0]=3 3086 B12R1.49 CCC(C)Oc1ccc(cc1)C 7a_100000210336_100000758301 [0,1,0,0,0,0|2,0,0]=3 3087 B12R1.49 CCC(C)Oc1ccc(cc1)Cl 34a_100000210216_100011215416 [0,1,0,0,0,0|1,0,0]=2 3088 B12R1.49 CCC(C)Oc1ccc(cc1)Cl 7a_100000210216_100000758301 [0,1,0,0,0,0|1,0,0]=2 3089 B12R1.49 CCC(C)Oc1ccc(cc1)F 34a_100000210339_100011215416 [0,1,0,0,0,0|1,1,0]=3 3090 B12R1.49 CCC(C)Oc1ccc(cc1)I 34a_100000212066_100011215416 [0,1,0,0,0,0|1,1,0]=3 3091 B12R1.49 CCC(C)Oc1ccc(cc1)I 7a_100000212066_100000758301 [0,1,0,0,0,0|1,1,0]=3 3092 B12R1.49 CCC(C)Oc1ccc(cc1)N 34a_100000185829_100011215416 [0,1,0,0,0,0|2,0,0]=3 3093 B12R1.49 CCC(C)Oc1ccc(cn1)C 34a_100000759353_100011215416 [0,1,0,0,0,0|3,0,0]=4 3094 B12R1.49 CCC(C)Oc1ccc(cn1)Cl 34a_100011215309_100011215416 [0,1,0,0,0,0|2,0,0]=3 3095 B12R1.49 CCC(C)Oc1ccc(cn1)F 34a_100000742473_100011215416 [0,1,0,0,0,0|2,1,0]=4 3096 B12R1.49 CCC(C)Oc1ccc(cn1)N 34a_100000729260_100011215416 [0,1,0,0,0,0|3,0,0]=4 3097 B12R1.49 CCC(C)Oc1ccc(nc1)Br 34a_100000685995_100011215416 [0,1,0,0,0,0|2,1,0]=4 3098 B12R1.49 CCC(C)Oc1ccc(nc1)Br 7a_100000685995_100000758301 [0,1,0,0,0,0|2,1,0]=4 3099 B12R1.49 CCC(C)Oc1ccc(nc1)C 34a_100000745506_100011215416 [0,1,0,0,0,0|3,0,0]=4 3100 B12R1.49 CCC(C)Oc1ccc(nc1)C 7a_100000745506_100000758301 [0,1,0,0,0,0|3,0,0]=4 3101 B12R1.49 CCC(C)Oc1ccc(nc1)Cl 34a_100000744096_100011215416 [0,1,0,0,0,0|2,0,0]=3 3102 B12R1.49 CCC(C)Oc1ccc(nc1)Cl 7a_100000744096_100000758301 [0,1,0,0,0,0|2,0,0]=3 3103 B12R1.49 CCC(C)Oc1ccc(nc1)F 34a_100000688820_100011215416 [0,1,0,0,0,0|2,1,0]=4 3104 B12R1.49 CCC(C)Oc1ccc(nc1)F 7a_100000688820_100000758301 [0,1,0,0,0,0|2,1,0]=4 3105 B12R1.49 CCC(C)Oc1ccc(nc1)I 34a_100000687607_100011215416 [0,1,0,0,0,0|2,1,0]=4 3106 B12R1.49 CCC(C)Oc1ccc(nc1)I 7a_100000687607_100000758301 [0,1,0,0,0,0|2,1,0]=4 3107 B12R1.49 CCC(C)Oc1ccc(nc1)N 34a_100015188713_100011215416 [0,1,0,0,0,0|3,0,0]=4 3108 B12R1.49 CCC(C)Oc1ccc(nc1)N 7a_100015188713_100000758301 [0,1,0,0,0,0|3,0,0]=4 3109 B12R1.49 CCC(C)Oc1cnc(cn1)Cl 34a_100015839800_100011215416 [0,1,0,0,0,0|3,0,0]=4 3110 B12R1.49 CCC(C)Oc1cnc(nc1)Cl 34a_100000092845_100011215416 [0,1,0,0,0,0|3,0,0]=4 3111 B12R1.49 CCC(C)Oc1cnc(nc1)Cl 7a_100000092845_100000758301 [0,1,0,0,0,0|3,0,0]=4 3112 B12R1.49 CCC(C)Sc1ccc(cc1)Br 62a_100000752885_100000758301 [0,1,0,0,0,0|1,2,0]=4 3113 B12R1.49 CCC(C)Sc1ccc(cc1)Br 62a_100000758301_100000752885 [0,1,0,0,0,0|1,2,0]=4 3114 B12R1.49 CCC(C)Sc1ccc(cc1)C 62a_100000186775_100000758301 [0,1,0,0,0,0|2,1,0]=4 3115 B12R1.49 CCC(C)Sc1ccc(cc1)C 62a_100000758301_100000186775 [0,1,0,0,0,0|2,1,0]=4 3116 B12R1.49 CCC(C)Sc1ccc(cc1)Cl 62a_100000755918_100000758301 [0,1,0,0,0,0|1,1,0]=3 3117 B12R1.49 CCC(C)Sc1ccc(cc1)Cl 62a_100000758301_100000755918 [0,1,0,0,0,0|1,1,0]=3 3118 B12R1.49 CCC(C)Sc1ccc(cc1)F 62a_100000211213_100000758301 [0,1,0,0,0,0|1,2,0]=4 3119 B12R1.49 CCC(C)Sc1ccc(cc1)F 62a_100000758301_100000211213 [0,1,0,0,0,0|1,2,0]=4 3120 B12R1.49 CCC(C)Sc1ccc(cc1)N 62a_100000185761_100000758301 [0,1,0,0,0,0|2,1,0]=4 3121 B12R1.49 CCC(C)Sc1ccc(cc1)N 62a_100000758301_100000185761 [0,1,0,0,0,0|2,1,0]=4 3122 B12R1.49 CCC(C)Sc1ccc(cc1)O 62a_100000758301_100000185759 [0,1,0,0,0,0|2,1,0]=4 3123 B12R1.49 CCC(C)Sc1ccc(cn1)Cl 62a_100000758301_100011356976 [0,1,0,0,0,0|2,1,0]=4 3124 B12R1.49 CCC(C)Sc1ccc(cn1)Cl 62a_100011356976_100000758301 [0,1,0,0,0,0|2,1,0]=4 3125 B12R1.49 CCC(C)Sc1ccc(nc1)Cl 62a_100000034144_100000758301 [0,1,0,0,0,0|2,1,0]=4 3126 B12R1.49 CCC(C)Sc1ccc(nc1)Cl 62a_100000758301_100000034144 [0,1,0,0,0,0|2,1,0]=4 3127 B12R1.49 CCN(C)Cc1ccc(cc1)Cl 2230a_100000180830_200000210301 [0,1,0,0,0,0|3,0,0]=4 3128 B12R1.49 CCN(C)Cc1ccc(cc1)Cl 2230a_100000184517_100000210202 [0,1,0,0,0,0|3,0,0]=4 3129 B12R1.49 CCN(C)Cc1ccc(cc1)Cl 2230a_100000225621_100000694040 [0,1,0,0,0,0|3,0,0]=4 3130 B12R1.49 CCN(C)Cc1ccc(cc1)Cl 269982a_100000180830_200000210301 [0,1,0,0,0,0|3,0,0]=4 3131 B12R1.49 CCN(C)Cc1ccc(cc1)Cl 269982a_100000184517_100000204670 [0,1,0,0,0,0|3,0,0]=4 3132 B12R1.49 CCN(C)Cc1ccc(cc1)Cl 269982a_100000225621_100000187161 [0,1,0,0,0,0|3,0,0]=4 3133 B12R1.49 CCN(C)Cc1ccc(cc1)Cl 34a_100000184517_100000210202 [0,1,0,0,0,0|3,0,0]=4 3134 B12R1.49 CCN([13CH3])Cc1ccc(cc1)Cl 2230a_100000180830_200025704644 [0,1,0,0,0,0|3,0,0]=4 3135 B12R1.49 CCN([13CH3])Cc1ccc(cc1)Cl 269982a_100000180830_200025704644 [0,1,0,0,0,0|3,0,0]=4 3136 B12R1.49 CN(CF)Cc1ccc(cc1)Cl 269982a_100000184517_100015361967 [0,1,0,0,0,0|3,0,0]=4 3137 B12R1.49 CN(CF)Cc1ccc(cc1)Cl 34a_100000184517_100015361967 [0,1,0,0,0,0|3,0,0]=4 3138 B12R1.49 CNC(C)Cc1ccc(cc1)Cl 270004a_106832991635_100000747806 [0,1,0,0,0,0|3,0,0]=4 3139 B12R1.49 COC(C)Sc1ccc(cc1)Cl 62a_100000755918_100009879195 [0,1,0,0,0,0|2,1,0]=4 3140 B12R1.49 COC(C)Sc1ccc(cc1)Cl 62a_100009879195_100000755918 [0,1,0,0,0,0|2,1,0]=4 3141 B12R1.49 C[C@H](CO)Nc1ccc(cn1)Br 27a_100000737577_100000686858 [0,1,0,0,0,0|2,1,0]=4 3142 B12R1.49 C[C@H](CO)Nc1ncc(cn1)Cl 27a_100000737577_100011356929 [0,1,0,0,0,0|3,0,0]=4 3143 B12R1.49 C[C@H](CO)Sc1cc[n+](cc1)[O-] 62a_100016084084_100000039755 [0,1,0,0,0,0|2,1,0]=4 3144 B12R1.49 C[C@H](CO)Sc1ccc(=O)[nH]c1 62a_100000212171_100016084084 [0,1,0,0,0,0|2,1,0]=4 3145 B12R1.49 C[C@H](CO)Sc1ccc(=O)[nH]c1 62a_100016084084_100000212171 [0,1,0,0,0,0|2,1,0]=4 3146 B12R1.49 C[C@H](CO)Sc1ccc(cc1)Br 62a_100000752885_100016084084 [0,1,0,0,0,0|0,2,0]=3 3147 B12R1.49 C[C@H](CO)Sc1ccc(cc1)Br 62a_100016084084_100000752885 [0,1,0,0,0,0|0,2,0]=3 3148 B12R1.49 C[C@H](CO)Sc1ccc(cc1)Cl 62a_100000755918_100016084084 [0,1,0,0,0,0|0,1,0]=2 3149 B12R1.49 C[C@H](CO)Sc1ccc(cc1)Cl 62a_100016084084_100000755918 [0,1,0,0,0,0|0,1,0]=2 3150 B12R1.49 C[C@H](CO)Sc1ccc(cc1)F 62a_100000211213_100016084084 [0,1,0,0,0,0|0,2,0]=3 3151 B12R1.49 C[C@H](CO)Sc1ccc(cc1)F 62a_100016084084_100000211213 [0,1,0,0,0,0|0,2,0]=3 3152 B12R1.49 C[C@H](CO)Sc1ccc(cc1)N 62a_100000185761_100016084084 [0,1,0,0,0,0|1,1,0]=3 3153 B12R1.49 C[C@H](CO)Sc1ccc(cc1)N 62a_100016084084_100000185761 [0,1,0,0,0,0|1,1,0]=3 3154 B12R1.49 C[C@H](CO)Sc1ccc(cc1)O 62a_100016084084_100000185759 [0,1,0,0,0,0|1,1,0]=3 3155 B12R1.49 C[C@H](CO)Sc1ccc(cn1)Br 62a_100000686858_100016084084 [0,1,0,0,0,0|1,2,0]=4 3156 B12R1.49 C[C@H](CO)Sc1ccc(cn1)Br 62a_100016084084_100000686858 [0,1,0,0,0,0|1,2,0]=4 3157 B12R1.49 C[C@H](CO)Sc1ccc(cn1)Cl 62a_100011356976_100016084084 [0,1,0,0,0,0|1,1,0]=3 3158 B12R1.49 C[C@H](CO)Sc1ccc(cn1)Cl 62a_100016084084_100011356976 [0,1,0,0,0,0|1,1,0]=3 3159 B12R1.49 C[C@H](CO)Sc1ccc(cn1)F 62a_100000744514_100016084084 [0,1,0,0,0,0|1,2,0]=4 3160 B12R1.49 C[C@H](CO)Sc1ccc(cn1)F 62a_100016084084_100000744514 [0,1,0,0,0,0|1,2,0]=4 3161 B12R1.49 C[C@H](CO)Sc1ccc(cn1)N 62a_100000737798_100016084084 [0,1,0,0,0,0|2,1,0]=4 3162 B12R1.49 C[C@H](CO)Sc1ccc(cn1)N 62a_100016084084_100000737798 [0,1,0,0,0,0|2,1,0]=4 3163 B12R1.49 C[C@H](CO)Sc1ccc(cn1)O 62a_100000685995_100016084084 [0,1,0,0,0,0|2,1,0]=4 3164 B12R1.49 C[C@H](CO)Sc1ccc(cn1)O 62a_100016084084_100000744096 [0,1,0,0,0,0|2,1,0]=4 3165 B12R1.49 C[C@H](CO)Sc1ccc(nc1)Br 62a_100009814638_100016084084 [0,1,0,0,0,0|1,2,0]=4 3166 B12R1.49 C[C@H](CO)Sc1ccc(nc1)Br 62a_100016084084_100009814638 [0,1,0,0,0,0|1,2,0]=4 3167 B12R1.49 C[C@H](CO)Sc1ccc(nc1)Cl 62a_100000034144_100016084084 [0,1,0,0,0,0|1,1,0]=3 3168 B12R1.49 C[C@H](CO)Sc1ccc(nc1)Cl 62a_100016084084_100000034144 [0,1,0,0,0,0|1,1,0]=3 3169 B12R1.49 C[C@H](CO)Sc1ccc(nc1)F 62a_100000042367_100016084084 [0,1,0,0,0,0|1,2,0]=4 3170 B12R1.49 C[C@H](CO)Sc1ccc(nc1)F 62a_100016084084_100000042367 [0,1,0,0,0,0|1,2,0]=4 3171 B12R1.49 C[C@H](CO)Sc1ccc(nc1)N 62a_100000187370_100016084084 [0,1,0,0,0,0|2,1,0]=4 3172 B12R1.49 C[C@H](CO)Sc1ccc(nc1)N 62a_100016084084_100000187370 [0,1,0,0,0,0|2,1,0]=4 3173 B12R1.49 C[C@H](CO)Sc1ccc(nn1)Cl 62a_100000068654_100016084084 [0,1,0,0,0,0|2,1,0]=4 3174 B12R1.49 C[C@H](CO)Sc1ccc(nn1)Cl 62a_100016084084_100000068654 [0,1,0,0,0,0|2,1,0]=4 3175 B12R1.49 C[C@H](CO)Sc1cnc(cn1)Cl 62a_100010214907_100016084084 [0,1,0,0,0,0|2,1,0]=4 3176 B12R1.49 C[C@H](CO)Sc1cnc(cn1)Cl 62a_100016084084_100010214907 [0,1,0,0,0,0|2,1,0]=4 3177 B12R1.49 C[C@H](CO)Sc1cnc(nc1)Cl 62a_100000059775_100016084084 [0,1,0,0,0,0|2,1,0]=4 3178 B12R1.49 C[C@H](CO)Sc1cnc(nc1)Cl 62a_100016084084_100000059775 [0,1,0,0,0,0|2,1,0]=4 3179 B12R1.49 C[C@H](CO)Sc1ncc(cn1)Cl 62a_100011356929_100016084084 [0,1,0,0,0,0|2,1,0]=4 3180 B12R1.49 C[C@H](CO)Sc1ncc(cn1)Cl 62a_100016084084_100011356929 [0,1,0,0,0,0|2,1,0]=4 3181 B12R1.49 Cc1ccc(cc1)CC(=O)CO 1458a_100000210174_100000210814 [0,1,0,0,0,0|2,0,1]=4 3182 B12R1.49 Cc1ccc(cc1)NC(=O)CO 22a_100000124888_100000210174 [0,1,0,0,0,0|2,0,1]=4 3183 B12R1.49 Cc1ccc(cc1)NC(=O)CO 527a_100000124888_100000210174 [0,1,0,0,0,0|2,0,1]=4 3184 B12R1.49 Cc1ccc(cc1)NC(C)CO 34a_100000124888_100012180447 [0,1,0,0,0,0|2,0,0]=3 3185 B12R1.49 Cc1ccc(cc1)OC(C)C#N 7a_100000210336_100000703298 [0,1,0,0,0,0|2,0,1]=4 3186 B12R1.49 Cc1ccc(cc1)OC(C)CO 34a_100000210336_100012180447 [0,1,0,0,0,0|1,0,0]=2 3187 B12R1.49 Cc1ccc(cc1)OC(C)CO 7a_100000210336_100012180447 [0,1,0,0,0,0|1,0,0]=2 3188 B12R1.49 Cc1ccc(cc1)SC(C)CO 62a_100012180447_100000186775 [0,1,0,0,0,0|1,1,0]=3 3189 B12R1.49 Cc1ccc(cc1)S[C@H](C)CO 62a_100000186775_100016084084 [0,1,0,0,0,0|1,1,0]=3 3190 B12R1.49 Cc1ccc(cc1)S[C@H](C)CO 62a_100016084084_100000186775 [0,1,0,0,0,0|1,1,0]=3 3191 B12R1.49 Cc1ccc(cn1)OC(C)CO 34a_100000745506_100012180447 [0,1,0,0,0,0|2,0,0]=3 3192 B12R1.49 Cc1ccc(cn1)OC(C)CO 7a_100000745506_100012180447 [0,1,0,0,0,0|2,0,0]=3 3193 B12R1.49 Cc1ccc(cn1)SC(C)CO 62a_100012180447_100000751577 [0,1,0,0,0,0|2,1,0]=4 3194 B12R1.49 Cc1ccc(cn1)S[C@H](C)CO 62a_100000751577_100016084084 [0,1,0,0,0,0|2,1,0]=4 3195 B12R1.49 Cc1ccc(cn1)S[C@H](C)CO 62a_100016084084_100000751577 [0,1,0,0,0,0|2,1,0]=4 3196 B12R1.49 Cc1ccc(nc1)OC(C)CO 34a_100000759353_100012180447 [0,1,0,0,0,0|2,0,0]=3 3197 B12R1.49 Cc1ccc(nc1)SC(C)CO 62a_100012180447_100000754016 [0,1,0,0,0,0|2,1,0]=4 3198 B12R1.49 Cc1ccc(nc1)S[C@H](C)CO 62a_100011192072_100016084084 [0,1,0,0,0,0|2,1,0]=4 3199 B12R1.49 Cc1ccc(nc1)S[C@H](C)CO 62a_100016084084_100000754016 [0,1,0,0,0,0|2,1,0]=4 3200 B12R1.49 Cc1ncc(cn1)OC(C)CO 34a_100000062939_100012180447 [0,1,0,0,0,0|3,0,0]=4 3201 B12R1.49 Cc1ncc(cn1)OC(C)CO 7a_100000062939_100012180447 [0,1,0,0,0,0|3,0,0]=4 3202 B12R1.49 N#CC(F)Sc1ccc(cc1)Cl 62a_100000755918_200000117898 [0,1,0,0,0,0|1,1,1]=4 3203 B12R1.49 N#CC(F)Sc1ccc(cc1)Cl 62a_200000117898_100000755918 [0,1,0,0,0,0|1,1,1]=4 3204 B12R1.49 O=C(CF)Cc1ccc(cc1)Cl 1458a_100000211027_100015361967 [0,1,0,0,0,0|2,0,1]=4 3205 B12R1.49 O=C(CO)Cc1ccc(cc1)Br 1458a_100000210174_100000189115 [0,1,0,0,0,0|1,1,1]=4 3206 B12R1.49 O=C(CO)Cc1ccc(cc1)Cl 1458a_100000210174_100000694040 [0,1,0,0,0,0|1,0,1]=3 3207 B12R1.49 O=C(CO)Cc1ccc(cc1)F 1458a_100000210174_100000198546 [0,1,0,0,0,0|1,1,1]=4 3208 B12R1.49 O=C(CO)Cc1ccc(cc1)I 1458a_100000210174_100000189116 [0,1,0,0,0,0|1,1,1]=4 3209 B12R1.49 O=C(CO)Cc1ccc(cn1)Cl 1458a_100000210174_100012066911 [0,1,0,0,0,0|2,0,1]=4 3210 B12R1.49 O=C(CO)Cc1ccc(nc1)Cl 1458a_100000210174_100000735431 [0,1,0,0,0,0|2,0,1]=4 3211 B12R1.49 O=C(CO)Nc1ccc(cc1)Br 22a_100000210018_100000210174 [0,1,0,0,0,0|1,1,1]=4 3212 B12R1.49 O=C(CO)Nc1ccc(cc1)Br 527a_100000210018_100000210174 [0,1,0,0,0,0|1,1,1]=4 3213 B12R1.49 O=C(CO)Nc1ccc(cc1)Cl 22a_100000210052_100000210174 [0,1,0,0,0,0|1,0,1]=3 3214 B12R1.49 O=C(CO)Nc1ccc(cc1)Cl 527a_100000210052_100000210174 [0,1,0,0,0,0|1,0,1]=3 3215 B12R1.49 O=C(CO)Nc1ccc(cc1)F 22a_100000185862_100000210174 [0,1,0,0,0,0|1,1,1]=4 3216 B12R1.49 O=C(CO)Nc1ccc(cc1)F 527a_100000185862_100000210174 [0,1,0,0,0,0|1,1,1]=4 3217 B12R1.49 O=C(CO)Nc1ccc(cc1)I 22a_100000185761_100000210174 [0,1,0,0,0,0|1,1,1]=4 3218 B12R1.49 O=C(CO)Nc1ccc(cc1)I 527a_100000185761_100000210174 [0,1,0,0,0,0|1,1,1]=4 3219 B12R1.49 O=C(CO)Nc1ccc(cc1)O 22a_100000185829_100000210174 [0,1,0,0,0,0|2,0,1]=4 3220 B12R1.69 C#CCNc1ccc(cc1Br)Cl 34a_100000752454_100000184674 [0,1,0,0,0,0|2,0,1]=4 3221 B12R1.69 C#CCNc1ccc(cc1C)Cl 34a_100000210418_100000184674 [0,1,0,0,0,0|2,0,1]=4 3222 B12R1.69 C#CCNc1ccc(cc1C)Cl 7a_100000210418_100000038162 [0,1,0,0,0,0|2,0,1]=4 3223 B12R1.69 C#CCNc1ccc(cc1Cl)Cl 34a_100000185861_100000184674 [0,1,0,0,0,0|2,0,1]=4 3224 B12R1.69 C#CCNc1ccc(cc1F)Cl 34a_100000211020_100000184674 [0,1,0,0,0,0|2,0,1]=4 3225 B12R1.69 C#CCNc1ccc(cc1I)Cl 34a_100000761889_100000184674 [0,1,0,0,0,0|2,0,1]=4 3226 B12R1.69 C#CCNc1ccc(cc1O)Cl 34a_100000185728_100000184674 [0,1,0,0,0,0|2,0,1]=4 3227 B12R1.69 C#CCOc1ccc(cc1Br)Br 34a_100000188717_100000184674 [0,1,0,0,0,0|1,1,1]=4 3228 B12R1.69 C#CCOc1ccc(cc1Br)Br 7a_100000188717_100000038162 [0,1,0,0,0,0|1,1,1]=4 3229 B12R1.69 C#CCOc1ccc(cc1Br)C 34a_100000210800_100000184674 [0,1,0,0,0,0|2,0,1]=4 3230 B12R1.69 C#CCOc1ccc(cc1Br)C 7a_100000210800_100000038162 [0,1,0,0,0,0|2,0,1]=4 3231 B12R1.69 C#CCOc1ccc(cc1Br)Cl 34a_100000211998_100000184674 [0,1,0,0,0,0|1,0,1]=3 3232 B12R1.69 C#CCOc1ccc(cc1Br)Cl 7a_100000211998_100000038162 [0,1,0,0,0,0|1,0,1]=3 3233 B12R1.69 C#CCOc1ccc(cc1Br)F 34a_100000211999_100000184674 [0,1,0,0,0,0|1,1,1]=4 3234 B12R1.69 C#CCOc1ccc(cc1Br)F 7a_100000211999_100000038162 [0,1,0,0,0,0|1,1,1]=4 3235 B12R1.69 C#CCOc1ccc(cc1Br)I 34a_100012361655_100000184674 [0,1,0,0,0,0|1,1,1]=4 3236 B12R1.69 C#CCOc1ccc(cc1Br)I 7a_100012361655_100000038162 [0,1,0,0,0,0|1,1,1]=4 3237 B12R1.69 C#CCOc1ccc(cc1Br)N 34a_100011534360_100000184674 [0,1,0,0,0,0|2,0,1]=4 3238 B12R1.69 C#CCOc1ccc(cc1Br)N 7a_100011534360_100000038162 [0,1,0,0,0,0|2,0,1]=4 3239 B12R1.69 C#CCOc1ccc(cc1C)Br 34a_100000186361_100000184674 [0,1,0,0,0,0|1,1,1]=4 3240 B12R1.69 C#CCOc1ccc(cc1C)Br 7a_100000186361_100000038162 [0,1,0,0,0,0|1,1,1]=4 3241 B12R1.69 C#CCOc1ccc(cc1C)C 34a_100000211776_100000184674 [0,1,0,0,0,0|2,0,1]=4 3242 B12R1.69 C#CCOc1ccc(cc1C)C 7a_100000211776_100000038162 [0,1,0,0,0,0|2,0,1]=4 3243 B12R1.69 C#CCOc1ccc(cc1C)Cl 34a_100000211091_100000184674 [0,1,0,0,0,0|1,0,1]=3 3244 B12R1.69 C#CCOc1ccc(cc1C)Cl 7a_100000211091_100000038162 [0,1,0,0,0,0|1,0,1]=3 3245 B12R1.69 C#CCOc1ccc(cc1C)F 34a_100000764316_100000184674 [0,1,0,0,0,0|1,1,1]=4 3246 B12R1.69 C#CCOc1ccc(cc1C)F 7a_100000764316_100000038162 [0,1,0,0,0,0|1,1,1]=4 3247 B12R1.69 C#CCOc1ccc(cc1C)I 34a_100011218673_100000184674 [0,1,0,0,0,0|1,1,1]=4 3248 B12R1.69 C#CCOc1ccc(cc1C)I 7a_100011218673_100000038162 [0,1,0,0,0,0|1,1,1]=4 3249 B12R1.69 C#CCOc1ccc(cc1C)N 34a_100011218179_100000184674 [0,1,0,0,0,0|2,0,1]=4 3250 B12R1.69 C#CCOc1ccc(cc1C)N 7a_100011218179_100000038162 [0,1,0,0,0,0|2,0,1]=4 3251 B12R1.69 C#CCOc1ccc(cc1Cl)Br 34a_100000186472_100000184674 [0,1,0,0,0,0|1,1,1]=4 3252 B12R1.69 C#CCOc1ccc(cc1Cl)Br 7a_100000186472_100000038162 [0,1,0,0,0,0|1,1,1]=4 3253 B12R1.69 C#CCOc1ccc(cc1Cl)C 34a_100000749699_100000184674 [0,1,0,0,0,0|2,0,1]=4 3254 B12R1.69 C#CCOc1ccc(cc1Cl)C 7a_100000749699_100000038162 [0,1,0,0,0,0|2,0,1]=4 3255 B12R1.69 C#CCOc1ccc(cc1Cl)Cl 34a_100015191787_100000184674 [0,1,0,0,0,0|1,0,1]=3 3256 B12R1.69 C#CCOc1ccc(cc1Cl)Cl 7a_100015191787_100000038162 [0,1,0,0,0,0|1,0,1]=3 3257 B12R1.69 C#CCOc1ccc(cc1Cl)F 34a_100000212004_100000184674 [0,1,0,0,0,0|1,1,1]=4 3258 B12R1.69 C#CCOc1ccc(cc1Cl)F 7a_100000212004_100000038162 [0,1,0,0,0,0|1,1,1]=4 3259 B12R1.69 C#CCOc1ccc(cc1Cl)I 34a_100012360047_100000184674 [0,1,0,0,0,0|1,1,1]=4 3260 B12R1.69 C#CCOc1ccc(cc1Cl)I 7a_100012360047_100000038162 [0,1,0,0,0,0|1,1,1]=4 3261 B12R1.69 C#CCOc1ccc(cc1Cl)N 34a_100000744943_100000184674 [0,1,0,0,0,0|2,0,1]=4 3262 B12R1.69 C#CCOc1ccc(cc1Cl)N 7a_100000744943_100000038162 [0,1,0,0,0,0|2,0,1]=4 3263 B12R1.69 C#CCOc1ccc(cc1F)Br 34a_100000185481_100000184674 [0,1,0,0,0,0|1,1,1]=4 3264 B12R1.69 C#CCOc1ccc(cc1F)Br 7a_100000185481_100000038162 [0,1,0,0,0,0|1,1,1]=4 3265 B12R1.69 C#CCOc1ccc(cc1F)C 34a_100011216688_100000184674 [0,1,0,0,0,0|2,0,1]=4 3266 B12R1.69 C#CCOc1ccc(cc1F)C 7a_100011216688_100000038162 [0,1,0,0,0,0|2,0,1]=4 3267 B12R1.69 C#CCOc1ccc(cc1F)Cl 34a_100000230166_100000184674 [0,1,0,0,0,0|1,0,1]=3 3268 B12R1.69 C#CCOc1ccc(cc1F)Cl 7a_100000230166_100000038162 [0,1,0,0,0,0|1,0,1]=3 3269 B12R1.69 C#CCOc1ccc(cc1F)F 34a_100000230127_100000184674 [0,1,0,0,0,0|1,1,1]=4 3270 B12R1.69 C#CCOc1ccc(cc1F)F 7a_100000230127_100000038162 [0,1,0,0,0,0|1,1,1]=4 3271 B12R1.69 C#CCOc1ccc(cc1F)I 34a_100011356965_100000184674 [0,1,0,0,0,0|1,1,1]=4 3272 B12R1.69 C#CCOc1ccc(cc1F)I 7a_100011356965_100000038162 [0,1,0,0,0,0|1,1,1]=4 3273 B12R1.69 C#CCOc1ccc(cc1F)N 34a_100011220035_100000184674 [0,1,0,0,0,0|2,0,1]=4 3274 B12R1.69 C#CCOc1ccc(cc1F)N 7a_100011220035_100000038162 [0,1,0,0,0,0|2,0,1]=4 3275 B12R1.69 C#CCOc1ccc(cc1I)Br 34a_100012355227_100000184674 [0,1,0,0,0,0|1,1,1]=4 3276 B12R1.69 C#CCOc1ccc(cc1I)Br 7a_100012355227_100000038162 [0,1,0,0,0,0|1,1,1]=4 3277 B12R1.69 C#CCOc1ccc(cc1I)C 34a_100000765521_100000184674 [0,1,0,0,0,0|2,0,1]=4 3278 B12R1.69 C#CCOc1ccc(cc1I)C 7a_100000765521_100000038162 [0,1,0,0,0,0|2,0,1]=4 3279 B12R1.69 C#CCOc1ccc(cc1I)Cl 34a_100011356953_100000184674 [0,1,0,0,0,0|1,0,1]=3 3280 B12R1.69 C#CCOc1ccc(cc1I)Cl 7a_100011356953_100000038162 [0,1,0,0,0,0|1,0,1]=3 3281 B12R1.69 C#CCOc1ccc(cc1I)F 34a_100012355409_100000184674 [0,1,0,0,0,0|1,1,1]=4 3282 B12R1.69 C#CCOc1ccc(cc1I)F 7a_100012355409_100000038162 [0,1,0,0,0,0|1,1,1]=4 3283 B12R1.69 C#CCOc1ccc(cc1I)I 7a_100010001573_100000038162 [0,1,0,0,0,0|1,1,1]=4 3284 B12R1.69 C#CCOc1ccc(cc1N)Br 34a_100000752626_100000184674 [0,1,0,0,0,0|1,1,1]=4 3285 B12R1.69 C#CCOc1ccc(cc1N)Br 7a_100000752626_100000038162 [0,1,0,0,0,0|1,1,1]=4 3286 B12R1.69 C#CCOc1ccc(cc1N)C 34a_100011215204_100000184674 [0,1,0,0,0,0|2,0,1]=4 3287 B12R1.69 C#CCOc1ccc(cc1N)C 7a_100011215204_100000038162 [0,1,0,0,0,0|2,0,1]=4 3288 B12R1.69 C#CCOc1ccc(cc1N)Cl 34a_100000210500_100000184674 [0,1,0,0,0,0|1,0,1]=3 3289 B12R1.69 C#CCOc1ccc(cc1N)Cl 7a_100000210500_100000038162 [0,1,0,0,0,0|1,0,1]=3 3290 B12R1.69 C#CCOc1ccc(cc1N)F 34a_100000759472_100000184674 [0,1,0,0,0,0|1,1,1]=4 3291 B12R1.69 C#CCOc1ccc(cc1N)F 7a_100000759472_100000038162 [0,1,0,0,0,0|1,1,1]=4 3292 B12R1.69 C#CCOc1ccc(cc1N)I 34a_100000753495_100000184674 [0,1,0,0,0,0|1,1,1]=4 3293 B12R1.69 C#CCOc1ccc(cc1N)I 7a_100000753495_100000038162 [0,1,0,0,0,0|1,1,1]=4 3294 B12R1.69 C#CCOc1ccc(cc1N)N 34a_100000725306_100000184674 [0,1,0,0,0,0|2,0,1]=4 3295 B12R1.69 C#CCOc1ccc(nc1Br)Cl 34a_100010219353_100000184674 [0,1,0,0,0,0|2,0,1]=4 3296 B12R1.69 C#CCOc1ccc(nc1Br)Cl 7a_100010219353_100000038162 [0,1,0,0,0,0|2,0,1]=4 3297 B12R1.69 C#CCOc1ccc(nc1C)Cl 34a_100012184626_100000184674 [0,1,0,0,0,0|2,0,1]=4 3298 B12R1.69 C#CCOc1ccc(nc1C)Cl 7a_100012184626_100000038162 [0,1,0,0,0,0|2,0,1]=4 3299 B12R1.69 C#CCOc1ccc(nc1Cl)Cl 34a_100000101165_100000184674 [0,1,0,0,0,0|2,0,1]=4 3300 B12R1.69 C#CCOc1ccc(nc1Cl)Cl 7a_100000101165_100000038162 [0,1,0,0,0,0|2,0,1]=4 3301 B12R1.69 C#CCOc1ccc(nc1F)Cl 34a_100009880201_100000184674 [0,1,0,0,0,0|2,0,1]=4 3302 B12R1.69 C#CCOc1ccc(nc1F)Cl 7a_100009880201_100000038162 [0,1,0,0,0,0|2,0,1]=4 3303 B12R1.69 C#CCOc1ccc(nc1I)Cl 34a_100000696390_100000184674 [0,1,0,0,0,0|2,0,1]=4 3304 B12R1.69 C#CCOc1ccc(nc1I)Cl 7a_100000696390_100000038162 [0,1,0,0,0,0|2,0,1]=4 3305 B12R1.69 C#CCOc1ccc(nc1N)Cl 34a_100000717809_100000184674 [0,1,0,0,0,0|2,0,1]=4 3306 B12R1.69 C#CCOc1ccc(nc1N)Cl 7a_100000717809_100000038162 [0,1,0,0,0,0|2,0,1]=4 3307 B12R1.69 C#CCOc1cnc(cc1C)Cl 34a_100000692680_100000184674 [0,1,0,0,0,0|2,0,1]=4 3308 B12R1.69 C#CCOc1cnc(cc1C)Cl 7a_100000692680_100000038162 [0,1,0,0,0,0|2,0,1]=4 3309 B12R1.69 C#CCOc1cnc(cc1Cl)Cl 34a_100009868576_100000184674 [0,1,0,0,0,0|2,0,1]=4 3310 B12R1.69 C#CCOc1cnc(cc1Cl)Cl 7a_100009868576_100000038162 [0,1,0,0,0,0|2,0,1]=4 3311 B12R1.69 C#CCOc1cnc(cc1I)Cl 34a_100000698892_100000184674 [0,1,0,0,0,0|2,0,1]=4 3312 B12R1.69 C#CCOc1cnc(cc1I)Cl 7a_100000698892_100000038162 [0,1,0,0,0,0|2,0,1]=4 3313 B12R1.69 C#CCOc1ncc(cc1F)Cl 34a_100011998252_100000184674 [0,1,0,0,0,0|2,0,1]=4 3314 B12R1.69 C#CCOc1ncc(cc1N)Cl 34a_100011998249_100000184674 [0,1,0,0,0,0|2,0,1]=4 3315 B12R1.69 C#CCSc1ccc(cc1Br)Cl 62a_100000038162_100011219703 [0,1,0,0,0,0|1,1,1]=4 3316 B12R1.69 C#CCSc1ccc(cc1C)Cl 62a_100000038162_100011219607 [0,1,0,0,0,0|1,1,1]=4 3317 B12R1.69 C#CCSc1ccc(cc1Cl)Cl 62a_100000038162_100000699841 [0,1,0,0,0,0|1,1,1]=4 3318 B12R1.69 C#CCSc1ccc(cc1F)Cl 62a_100000038162_100011216042 [0,1,0,0,0,0|1,1,1]=4 3319 B12R1.69 C#CCSc1ccc(cc1N)Cl 62a_100000038162_100000761886 [0,1,0,0,0,0|1,1,1]=4 3320 B12R1.69 C#CCSc1ccc(cc1O)Cl 62a_100000038162_100000050036 [0,1,0,0,0,0|1,1,1]=4 3321 B12R1.69 C=CCNc1ccc(cc1Br)Cl 34a_100000752454_100015514636 [0,1,0,0,0,0|2,0,1]=4 3322 B12R1.69 C=CCNc1ccc(cc1C)Cl 34a_100000210418_100015514636 [0,1,0,0,0,0|2,0,1]=4 3323 B12R1.69 C=CCNc1ccc(cc1C)Cl 7a_100000210418_100015514636 [0,1,0,0,0,0|2,0,1]=4 3324 B12R1.69 C=CCNc1ccc(cc1Cl)Cl 34a_100000185861_100015514636 [0,1,0,0,0,0|2,0,1]=4 3325 B12R1.69 C=CCNc1ccc(cc1F)Cl 34a_100000211020_100015514636 [0,1,0,0,0,0|2,0,1]=4 3326 B12R1.69 C=CCNc1ccc(cc1I)Cl 34a_100000761889_100015514636 [0,1,0,0,0,0|2,0,1]=4 3327 B12R1.69 C=CCNc1ccc(cc1O)Cl 34a_100000185728_100015514636 [0,1,0,0,0,0|2,0,1]=4 3328 B12R1.69 C=CCOc1ccc(cc1Br)Br 34a_100000188717_100015514636 [0,1,0,0,0,0|1,1,1]=4 3329 B12R1.69 C=CCOc1ccc(cc1Br)Br 7a_100000188717_100015514636 [0,1,0,0,0,0|1,1,1]=4 3330 B12R1.69 C=CCOc1ccc(cc1Br)C 34a_100000210800_100015514636 [0,1,0,0,0,0|2,0,1]=4 3331 B12R1.69 C=CCOc1ccc(cc1Br)C 7a_100000210800_100015514636 [0,1,0,0,0,0|2,0,1]=4 3332 B12R1.69 C=CCOc1ccc(cc1Br)Cl 34a_100000211998_100015514636 [0,1,0,0,0,0|1,0,1]=3 3333 B12R1.69 C=CCOc1ccc(cc1Br)Cl 7a_100000211998_100015514636 [0,1,0,0,0,0|1,0,1]=3 3334 B12R1.69 C=CCOc1ccc(cc1Br)F 34a_100000211999_100015514636 [0,1,0,0,0,0|1,1,1]=4 3335 B12R1.69 C=CCOc1ccc(cc1Br)F 7a_100000211999_100015514636 [0,1,0,0,0,0|1,1,1]=4 3336 B12R1.69 C=CCOc1ccc(cc1Br)I 34a_100012361655_100015514636 [0,1,0,0,0,0|1,1,1]=4 3337 B12R1.69 C=CCOc1ccc(cc1Br)I 7a_100012361655_100015514636 [0,1,0,0,0,0|1,1,1]=4 3338 B12R1.69 C=CCOc1ccc(cc1Br)N 34a_100011534360_100015514636 [0,1,0,0,0,0|2,0,1]=4 3339 B12R1.69 C=CCOc1ccc(cc1Br)N 7a_100011534360_100015514636 [0,1,0,0,0,0|2,0,1]=4 3340 B12R1.69 C=CCOc1ccc(cc1C)Br 34a_100000186361_100015514636 [0,1,0,0,0,0|1,1,1]=4 3341 B12R1.69 C=CCOc1ccc(cc1C)Br 7a_100000186361_100015514636 [0,1,0,0,0,0|1,1,1]=4 3342 B12R1.69 C=CCOc1ccc(cc1C)C 34a_100000211776_100015514636 [0,1,0,0,0,0|2,0,1]=4 3343 B12R1.69 C=CCOc1ccc(cc1C)C 7a_100000211776_100015514636 [0,1,0,0,0,0|2,0,1]=4 3344 B12R1.69 C=CCOc1ccc(cc1C)Cl 34a_100000211091_100015514636 [0,1,0,0,0,0|1,0,1]=3 3345 B12R1.69 C=CCOc1ccc(cc1C)Cl 7a_100000211091_100015514636 [0,1,0,0,0,0|1,0,1]=3 3346 B12R1.69 C=CCOc1ccc(cc1C)F 34a_100000764316_100015514636 [0,1,0,0,0,0|1,1,1]=4 3347 B12R1.69 C=CCOc1ccc(cc1C)F 7a_100000764316_100015514636 [0,1,0,0,0,0|1,1,1]=4 3348 B12R1.69 C=CCOc1ccc(cc1C)I 34a_100011218673_100015514636 [0,1,0,0,0,0|1,1,1]=4 3349 B12R1.69 C=CCOc1ccc(cc1C)I 7a_100011218673_100015514636 [0,1,0,0,0,0|1,1,1]=4 3350 B12R1.69 C=CCOc1ccc(cc1C)N 34a_100011218179_100015514636 [0,1,0,0,0,0|2,0,1]=4 3351 B12R1.69 C=CCOc1ccc(cc1C)N 7a_100011218179_100015514636 [0,1,0,0,0,0|2,0,1]=4 3352 B12R1.69 C=CCOc1ccc(cc1Cl)Br 34a_100000186472_100015514636 [0,1,0,0,0,0|1,1,1]=4 3353 B12R1.69 C=CCOc1ccc(cc1Cl)Br 7a_100000186472_100015514636 [0,1,0,0,0,0|1,1,1]=4 3354 B12R1.69 C=CCOc1ccc(cc1Cl)C 34a_100000749699_100015514636 [0,1,0,0,0,0|2,0,1]=4 3355 B12R1.69 C=CCOc1ccc(cc1Cl)C 7a_100000749699_100015514636 [0,1,0,0,0,0|2,0,1]=4 3356 B12R1.69 C=CCOc1ccc(cc1Cl)Cl 34a_100015191787_100015514636 [0,1,0,0,0,0|1,0,1]=3 3357 B12R1.69 C=CCOc1ccc(cc1Cl)Cl 7a_100015191787_100015514636 [0,1,0,0,0,0|1,0,1]=3 3358 B12R1.69 C=CCOc1ccc(cc1Cl)F 34a_100000212004_100015514636 [0,1,0,0,0,0|1,1,1]=4 3359 B12R1.69 C=CCOc1ccc(cc1Cl)F 7a_100000212004_100015514636 [0,1,0,0,0,0|1,1,1]=4 3360 B12R1.69 C=CCOc1ccc(cc1Cl)I 34a_100012360047_100015514636 [0,1,0,0,0,0|1,1,1]=4 3361 B12R1.69 C=CCOc1ccc(cc1Cl)I 7a_100012360047_100015514636 [0,1,0,0,0,0|1,1,1]=4 3362 B12R1.69 C=CCOc1ccc(cc1Cl)N 34a_100000744943_100015514636 [0,1,0,0,0,0|2,0,1]=4 3363 B12R1.69 C=CCOc1ccc(cc1Cl)N 7a_100000744943_100015514636 [0,1,0,0,0,0|2,0,1]=4 3364 B12R1.69 C=CCOc1ccc(cc1F)Br 34a_100000185481_100015514636 [0,1,0,0,0,0|1,1,1]=4 3365 B12R1.69 C=CCOc1ccc(cc1F)Br 7a_100000185481_100015514636 [0,1,0,0,0,0|1,1,1]=4 3366 B12R1.69 C=CCOc1ccc(cc1F)C 34a_100011216688_100015514636 [0,1,0,0,0,0|2,0,1]=4 3367 B12R1.69 C=CCOc1ccc(cc1F)C 7a_100011216688_100015514636 [0,1,0,0,0,0|2,0,1]=4 3368 B12R1.69 C=CCOc1ccc(cc1F)Cl 34a_100000230166_100015514636 [0,1,0,0,0,0|1,0,1]=3 3369 B12R1.69 C=CCOc1ccc(cc1F)Cl 7a_100000230166_100015514636 [0,1,0,0,0,0|1,0,1]=3 3370 B12R1.69 C=CCOc1ccc(cc1F)F 34a_100000230127_100015514636 [0,1,0,0,0,0|1,1,1]=4 3371 B12R1.69 C=CCOc1ccc(cc1F)F 7a_100000230127_100015514636 [0,1,0,0,0,0|1,1,1]=4 3372 B12R1.69 C=CCOc1ccc(cc1F)I 34a_100011356965_100015514636 [0,1,0,0,0,0|1,1,1]=4 3373 B12R1.69 C=CCOc1ccc(cc1F)I 7a_100011356965_100015514636 [0,1,0,0,0,0|1,1,1]=4 3374 B12R1.69 C=CCOc1ccc(cc1F)N 34a_100011220035_100015514636 [0,1,0,0,0,0|2,0,1]=4 3375 B12R1.69 C=CCOc1ccc(cc1F)N 7a_100011220035_100015514636 [0,1,0,0,0,0|2,0,1]=4 3376 B12R1.69 C=CCOc1ccc(cc1I)Br 34a_100012355227_100015514636 [0,1,0,0,0,0|1,1,1]=4 3377 B12R1.69 C=CCOc1ccc(cc1I)Br 7a_100012355227_100015514636 [0,1,0,0,0,0|1,1,1]=4 3378 B12R1.69 C=CCOc1ccc(cc1I)C 34a_100000765521_100015514636 [0,1,0,0,0,0|2,0,1]=4 3379 B12R1.69 C=CCOc1ccc(cc1I)C 7a_100000765521_100015514636 [0,1,0,0,0,0|2,0,1]=4 3380 B12R1.69 C=CCOc1ccc(cc1I)Cl 34a_100011356953_100015514636 [0,1,0,0,0,0|1,0,1]=3 3381 B12R1.69 C=CCOc1ccc(cc1I)Cl 7a_100011356953_100015514636 [0,1,0,0,0,0|1,0,1]=3 3382 B12R1.69 C=CCOc1ccc(cc1I)F 34a_100012355409_100015514636 [0,1,0,0,0,0|1,1,1]=4 3383 B12R1.69 C=CCOc1ccc(cc1I)F 7a_100012355409_100015514636 [0,1,0,0,0,0|1,1,1]=4 3384 B12R1.69 C=CCOc1ccc(cc1I)I 7a_100010001573_100015514636 [0,1,0,0,0,0|1,1,1]=4 3385 B12R1.69 C=CCOc1ccc(cc1N)Br 34a_100000752626_100015514636 [0,1,0,0,0,0|1,1,1]=4 3386 B12R1.69 C=CCOc1ccc(cc1N)Br 7a_100000752626_100015514636 [0,1,0,0,0,0|1,1,1]=4 3387 B12R1.69 C=CCOc1ccc(cc1N)C 34a_100011215204_100015514636 [0,1,0,0,0,0|2,0,1]=4 3388 B12R1.69 C=CCOc1ccc(cc1N)C 7a_100011215204_100015514636 [0,1,0,0,0,0|2,0,1]=4 3389 B12R1.69 C=CCOc1ccc(cc1N)Cl 34a_100000210500_100015514636 [0,1,0,0,0,0|1,0,1]=3 3390 B12R1.69 C=CCOc1ccc(cc1N)Cl 7a_100000210500_100015514636 [0,1,0,0,0,0|1,0,1]=3 3391 B12R1.69 C=CCOc1ccc(cc1N)F 34a_100000759472_100015514636 [0,1,0,0,0,0|1,1,1]=4 3392 B12R1.69 C=CCOc1ccc(cc1N)F 7a_100000759472_100015514636 [0,1,0,0,0,0|1,1,1]=4 3393 B12R1.69 C=CCOc1ccc(cc1N)I 34a_100000753495_100015514636 [0,1,0,0,0,0|1,1,1]=4 3394 B12R1.69 C=CCOc1ccc(cc1N)I 7a_100000753495_100015514636 [0,1,0,0,0,0|1,1,1]=4 3395 B12R1.69 C=CCOc1ccc(cc1N)N 34a_100000725306_100015514636 [0,1,0,0,0,0|2,0,1]=4 3396 B12R1.69 C=CCOc1ccc(nc1Br)Cl 34a_100010219353_100015514636 [0,1,0,0,0,0|2,0,1]=4 3397 B12R1.69 C=CCOc1ccc(nc1Br)Cl 7a_100010219353_100015514636 [0,1,0,0,0,0|2,0,1]=4 3398 B12R1.69 C=CCOc1ccc(nc1C)Cl 34a_100012184626_100015514636 [0,1,0,0,0,0|2,0,1]=4 3399 B12R1.69 C=CCOc1ccc(nc1C)Cl 7a_100012184626_100015514636 [0,1,0,0,0,0|2,0,1]=4 3400 B12R1.69 C=CCOc1ccc(nc1Cl)Cl 34a_100000101165_100015514636 [0,1,0,0,0,0|2,0,1]=4 3401 B12R1.69 C=CCOc1ccc(nc1Cl)Cl 7a_100000101165_100015514636 [0,1,0,0,0,0|2,0,1]=4 3402 B12R1.69 C=CCOc1ccc(nc1F)Cl 34a_100009880201_100015514636 [0,1,0,0,0,0|2,0,1]=4 3403 B12R1.69 C=CCOc1ccc(nc1F)Cl 7a_100009880201_100015514636 [0,1,0,0,0,0|2,0,1]=4 3404 B12R1.69 C=CCOc1ccc(nc1I)Cl 34a_100000696390_100015514636 [0,1,0,0,0,0|2,0,1]=4 3405 B12R1.69 C=CCOc1ccc(nc1I)Cl 7a_100000696390_100015514636 [0,1,0,0,0,0|2,0,1]=4 3406 B12R1.69 C=CCOc1ccc(nc1N)Cl 34a_100000717809_100015514636 [0,1,0,0,0,0|2,0,1]=4 3407 B12R1.69 C=CCOc1ccc(nc1N)Cl 7a_100000717809_100015514636 [0,1,0,0,0,0|2,0,1]=4 3408 B12R1.69 C=CCOc1cnc(cc1C)Cl 34a_100000692680_100015514636 [0,1,0,0,0,0|2,0,1]=4 3409 B12R1.69 C=CCOc1cnc(cc1C)Cl 7a_100000692680_100015514636 [0,1,0,0,0,0|2,0,1]=4 3410 B12R1.69 C=CCOc1cnc(cc1Cl)Cl 34a_100009868576_100015514636 [0,1,0,0,0,0|2,0,1]=4 3411 B12R1.69 C=CCOc1cnc(cc1Cl)Cl 7a_100009868576_100015514636 [0,1,0,0,0,0|2,0,1]=4 3412 B12R1.69 C=CCOc1cnc(cc1I)Cl 34a_100000698892_100015514636 [0,1,0,0,0,0|2,0,1]=4 3413 B12R1.69 C=CCOc1cnc(cc1I)Cl 7a_100000698892_100015514636 [0,1,0,0,0,0|2,0,1]=4 3414 B12R1.69 C=CCOc1ncc(cc1F)Cl 34a_100011998252_100015514636 [0,1,0,0,0,0|2,0,1]=4 3415 B12R1.69 C=CCOc1ncc(cc1N)Cl 34a_100011998249_100015514636 [0,1,0,0,0,0|2,0,1]=4 3416 B12R1.69 C=CCSc1ccc(cc1Br)Cl 62a_100000210623_100011219703 [0,1,0,0,0,0|1,1,1]=4 3417 B12R1.69 C=CCSc1ccc(cc1Br)Cl 62a_100011219703_100000210623 [0,1,0,0,0,0|1,1,1]=4 3418 B12R1.69 C=CCSc1ccc(cc1C)Cl 62a_100000210623_100011219607 [0,1,0,0,0,0|1,1,1]=4 3419 B12R1.69 C=CCSc1ccc(cc1C)Cl 62a_100011219607_100000210623 [0,1,0,0,0,0|1,1,1]=4 3420 B12R1.69 C=CCSc1ccc(cc1Cl)Cl 62a_100000210623_100000699841 [0,1,0,0,0,0|1,1,1]=4 3421 B12R1.69 C=CCSc1ccc(cc1Cl)Cl 62a_100000699841_100000210623 [0,1,0,0,0,0|1,1,1]=4 3422 B12R1.69 C=CCSc1ccc(cc1F)Cl 62a_100000210623_100011216042 [0,1,0,0,0,0|1,1,1]=4 3423 B12R1.69 C=CCSc1ccc(cc1F)Cl 62a_100011216042_100000210623 [0,1,0,0,0,0|1,1,1]=4 3424 B12R1.69 C=CCSc1ccc(cc1N)Cl 62a_100000210623_100000761886 [0,1,0,0,0,0|1,1,1]=4 3425 B12R1.69 C=CCSc1ccc(cc1N)Cl 62a_100000761886_100000210623 [0,1,0,0,0,0|1,1,1]=4 3426 B12R1.69 C=CCSc1ccc(cc1O)Cl 62a_100000050036_100000210623 [0,1,0,0,0,0|1,1,1]=4 3427 B12R1.69 C=CCSc1ccc(cc1O)Cl 62a_100000210623_100000050036 [0,1,0,0,0,0|1,1,1]=4 3428 B12R1.69 CCCCc1ccc(cc1Br)Br 271570a_100020621405_100011484698 [0,1,0,0,0,0|2,1,0]=4 3429 B12R1.69 CCCCc1ccc(cc1Br)C 271570a_100020621405_100009813563 [0,1,0,0,0,0|3,0,0]=4 3430 B12R1.69 CCCCc1ccc(cc1Br)Cl 271570a_100020621405_100011219703 [0,1,0,0,0,0|2,0,0]=3 3431 B12R1.69 CCCCc1ccc(cc1Br)F 271570a_100020621405_100011217111 [0,1,0,0,0,0|2,1,0]=4 3432 B12R1.69 CCCCc1ccc(cc1Br)N 271570a_100020621405_100000750458 [0,1,0,0,0,0|3,0,0]=4 3433 B12R1.69 CCCCc1ccc(cc1Br)O 271570a_100020621405_100000701344 [0,1,0,0,0,0|3,0,0]=4 3434 B12R1.69 CCCCc1ccc(cc1C)Br 271570a_100020621405_100000701812 [0,1,0,0,0,0|2,1,0]=4 3435 B12R1.69 CCCCc1ccc(cc1C)C 271570a_100020621405_100011217332 [0,1,0,0,0,0|3,0,0]=4 3436 B12R1.69 CCCCc1ccc(cc1C)Cl 271570a_100020621405_100011219607 [0,1,0,0,0,0|2,0,0]=3 3437 B12R1.69 CCCCc1ccc(cc1C)F 271570a_100020621405_100011205405 [0,1,0,0,0,0|2,1,0]=4 3438 B12R1.69 CCCCc1ccc(cc1C)N 271570a_100020621405_100000210723 [0,1,0,0,0,0|3,0,0]=4 3439 B12R1.69 CCCCc1ccc(cc1C)O 271570a_100020621405_100000729255 [0,1,0,0,0,0|3,0,0]=4 3440 B12R1.69 CCCCc1ccc(cc1Cl)Br 271570a_100020621405_100011216062 [0,1,0,0,0,0|2,1,0]=4 3441 B12R1.69 CCCCc1ccc(cc1Cl)C 271570a_100020621405_100011263221 [0,1,0,0,0,0|3,0,0]=4 3442 B12R1.69 CCCCc1ccc(cc1Cl)Cl 271570a_100020621405_100000699841 [0,1,0,0,0,0|2,0,0]=3 3443 B12R1.69 CCCCc1ccc(cc1Cl)F 271570a_100020621405_100000733362 [0,1,0,0,0,0|2,1,0]=4 3444 B12R1.69 CCCCc1ccc(cc1Cl)N 271570a_100020621405_100000761885 [0,1,0,0,0,0|3,0,0]=4 3445 B12R1.69 CCCCc1ccc(cc1Cl)O 271570a_100020621405_100000047559 [0,1,0,0,0,0|3,0,0]=4 3446 B12R1.69 CCCCc1ccc(cc1F)Br 271570a_100020621405_100009814013 [0,1,0,0,0,0|2,1,0]=4 3447 B12R1.69 CCCCc1ccc(cc1F)C 271570a_100020621405_100011216119 [0,1,0,0,0,0|3,0,0]=4 3448 B12R1.69 CCCCc1ccc(cc1F)Cl 271570a_100020621405_100011216042 [0,1,0,0,0,0|2,0,0]=3 3449 B12R1.69 CCCCc1ccc(cc1F)F 271570a_100020621405_100000750030 [0,1,0,0,0,0|2,1,0]=4 3450 B12R1.69 CCCCc1ccc(cc1F)N 271570a_100020621405_100011356925 [0,1,0,0,0,0|3,0,0]=4 3451 B12R1.69 CCCCc1ccc(cc1F)O 271570a_100020621405_100000755031 [0,1,0,0,0,0|3,0,0]=4 3452 B12R1.69 CCCCc1ccc(cc1N)Br 271570a_100020621405_100000743836 [0,1,0,0,0,0|2,1,0]=4 3453 B12R1.69 CCCCc1ccc(cc1N)C 271570a_100020621405_100011216686 [0,1,0,0,0,0|3,0,0]=4 3454 B12R1.69 CCCCc1ccc(cc1N)Cl 271570a_100020621405_100000761886 [0,1,0,0,0,0|2,0,0]=3 3455 B12R1.69 CCCCc1ccc(cc1N)F 271570a_100020621405_100011218093 [0,1,0,0,0,0|2,1,0]=4 3456 B12R1.69 CCCCc1ccc(cc1N)N 271570a_100020621405_200012175722 [0,1,0,0,0,0|3,0,0]=4 3457 B12R1.69 CCCCc1ccc(cc1N)O 271570a_100020621405_100011999798 [0,1,0,0,0,0|3,0,0]=4 3458 B12R1.69 CCCCc1ccc(cc1O)Br 271570a_100020621405_100012344904 [0,1,0,0,0,0|2,1,0]=4 3459 B12R1.69 CCCCc1ccc(cc1O)C 271570a_100020621405_100012002257 [0,1,0,0,0,0|3,0,0]=4 3460 B12R1.69 CCCCc1ccc(cc1O)Cl 271570a_100020621405_100000050036 [0,1,0,0,0,0|2,0,0]=3 3461 B12R1.69 CCCCc1ccc(cc1O)F 271570a_100020621405_100000690578 [0,1,0,0,0,0|2,1,0]=4 3462 B12R1.69 CCCCc1ccc(cc1O)O 271570a_100020621405_100009813921 [0,1,0,0,0,0|3,0,0]=4 3463 B12R1.69 CCCCc1ccc(nc1C)Cl 271570a_100020621405_100000062408 [0,1,0,0,0,0|3,0,0]=4 3464 B12R1.69 CCCCc1ccc(nc1F)Cl 271570a_100020621405_100010168078 [0,1,0,0,0,0|3,0,0]=4 3465 B12R1.69 CCCCc1ccc(nc1N)Cl 271570a_100020621405_100010171640 [0,1,0,0,0,0|3,0,0]=4 3466 B12R1.69 CCCCc1cnc(cc1C)Cl 271570a_100020621405_100010172789 [0,1,0,0,0,0|3,0,0]=4 3467 B12R1.69 CCCCc1cnc(cc1Cl)Cl 271570a_100020621405_100010200927 [0,1,0,0,0,0|3,0,0]=4 3468 B12R1.69 CCCCc1cnc(cc1F)Cl 271570a_100020621405_100010128100 [0,1,0,0,0,0|3,0,0]=4 3469 B12R1.69 CCCCc1ncc(cc1Br)Cl 271570a_100020621405_100012154958 [0,1,0,0,0,0|3,0,0]=4 3470 B12R1.69 CCCCc1ncc(cc1F)Cl 271570a_100020621405_100012348686 [0,1,0,0,0,0|3,0,0]=4 3471 B12R1.69 CCCCc1ncc(cc1O)Cl 271570a_100020621405_100010233512 [0,1,0,0,0,0|3,0,0]=4 3472 B12R1.69 CCCNc1ccc(cc1Br)Br 34a_100000211012_100000210303 [0,1,0,0,0,0|2,1,0]=4 3473 B12R1.69 CCCNc1ccc(cc1Br)C 34a_100000210942_100000210303 [0,1,0,0,0,0|3,0,0]=4 3474 B12R1.69 CCCNc1ccc(cc1Br)Cl 34a_100000752454_100000210303 [0,1,0,0,0,0|2,0,0]=3 3475 B12R1.69 CCCNc1ccc(cc1Br)F 34a_100000738039_100000210303 [0,1,0,0,0,0|2,1,0]=4 3476 B12R1.69 CCCNc1ccc(cc1Br)O 34a_100012001276_100000210303 [0,1,0,0,0,0|3,0,0]=4 3477 B12R1.69 CCCNc1ccc(cc1C)Br 34a_100000211769_100000210303 [0,1,0,0,0,0|2,1,0]=4 3478 B12R1.69 CCCNc1ccc(cc1C)Br 7a_100000211769_100000210303 [0,1,0,0,0,0|2,1,0]=4 3479 B12R1.69 CCCNc1ccc(cc1C)C 34a_100000736561_100000210303 [0,1,0,0,0,0|3,0,0]=4 3480 B12R1.69 CCCNc1ccc(cc1C)C 7a_100000736561_100000210303 [0,1,0,0,0,0|3,0,0]=4 3481 B12R1.69 CCCNc1ccc(cc1C)Cl 34a_100000210418_100000210303 [0,1,0,0,0,0|2,0,0]=3 3482 B12R1.69 CCCNc1ccc(cc1C)Cl 7a_100000210418_100000210303 [0,1,0,0,0,0|2,0,0]=3 3483 B12R1.69 CCCNc1ccc(cc1C)F 34a_100000211637_100000210303 [0,1,0,0,0,0|2,1,0]=4 3484 B12R1.69 CCCNc1ccc(cc1C)F 7a_100000211637_100000210303 [0,1,0,0,0,0|2,1,0]=4 3485 B12R1.69 CCCNc1ccc(cc1C)I 34a_100000184554_100000210303 [0,1,0,0,0,0|2,1,0]=4 3486 B12R1.69 CCCNc1ccc(cc1C)I 7a_100000184554_100000210303 [0,1,0,0,0,0|2,1,0]=4 3487 B12R1.69 CCCNc1ccc(cc1C)O 34a_100000756630_100000210303 [0,1,0,0,0,0|3,0,0]=4 3488 B12R1.69 CCCNc1ccc(cc1Cl)Br 34a_100000211467_100000210303 [0,1,0,0,0,0|2,1,0]=4 3489 B12R1.69 CCCNc1ccc(cc1Cl)C 34a_100000210522_100000210303 [0,1,0,0,0,0|3,0,0]=4 3490 B12R1.69 CCCNc1ccc(cc1Cl)Cl 34a_100000185861_100000210303 [0,1,0,0,0,0|2,0,0]=3 3491 B12R1.69 CCCNc1ccc(cc1Cl)F 34a_100000212003_100000210303 [0,1,0,0,0,0|2,1,0]=4 3492 B12R1.69 CCCNc1ccc(cc1Cl)I 34a_100011218065_100000210303 [0,1,0,0,0,0|2,1,0]=4 3493 B12R1.69 CCCNc1ccc(cc1Cl)O 34a_100011215599_100000210303 [0,1,0,0,0,0|3,0,0]=4 3494 B12R1.69 CCCNc1ccc(cc1F)Br 34a_100000210722_100000210303 [0,1,0,0,0,0|2,1,0]=4 3495 B12R1.69 CCCNc1ccc(cc1F)C 34a_100000211023_100000210303 [0,1,0,0,0,0|3,0,0]=4 3496 B12R1.69 CCCNc1ccc(cc1F)Cl 34a_100000211020_100000210303 [0,1,0,0,0,0|2,0,0]=3 3497 B12R1.69 CCCNc1ccc(cc1F)F 34a_100000210720_100000210303 [0,1,0,0,0,0|2,1,0]=4 3498 B12R1.69 CCCNc1ccc(cc1F)I 34a_100011215594_100000210303 [0,1,0,0,0,0|2,1,0]=4 3499 B12R1.69 CCCNc1ccc(cc1F)O 34a_100000759473_100000210303 [0,1,0,0,0,0|3,0,0]=4 3500 B12R1.69 CCCNc1ccc(cc1I)Br 34a_100000187925_100000210303 [0,1,0,0,0,0|2,1,0]=4 3501 B12R1.69 CCCNc1ccc(cc1I)C 34a_100011356834_100000210303 [0,1,0,0,0,0|3,0,0]=4 3502 B12R1.69 CCCNc1ccc(cc1I)Cl 34a_100000761889_100000210303 [0,1,0,0,0,0|2,0,0]=3 3503 B12R1.69 CCCNc1ccc(cc1I)F 34a_100000760547_100000210303 [0,1,0,0,0,0|2,1,0]=4 3504 B12R1.69 CCCNc1ccc(cc1I)O 34a_100010084370_100000210303 [0,1,0,0,0,0|3,0,0]=4 3505 B12R1.69 CCCNc1ccc(cc1O)Br 34a_100000739049_100000210303 [0,1,0,0,0,0|2,1,0]=4 3506 B12R1.69 CCCNc1ccc(cc1O)C 34a_100000211527_100000210303 [0,1,0,0,0,0|3,0,0]=4 3507 B12R1.69 CCCNc1ccc(cc1O)Cl 34a_100000185728_100000210303 [0,1,0,0,0,0|2,0,0]=3 3508 B12R1.69 CCCNc1ccc(cc1O)F 34a_100000753323_100000210303 [0,1,0,0,0,0|2,1,0]=4 3509 B12R1.69 CCCNc1ccc(cc1O)O 34a_100000106777_100000210303 [0,1,0,0,0,0|3,0,0]=4 3510 B12R1.69 CCCOc1ccc(cc1Br)Br 34a_100000188717_100000210303 [0,1,0,0,0,0|1,1,0]=3 3511 B12R1.69 CCCOc1ccc(cc1Br)Br 7a_100000188717_100000210303 [0,1,0,0,0,0|1,1,0]=3 3512 B12R1.69 CCCOc1ccc(cc1Br)C 34a_100000210800_100000210303 [0,1,0,0,0,0|2,0,0]=3 3513 B12R1.69 CCCOc1ccc(cc1Br)C 7a_100000210800_100000210303 [0,1,0,0,0,0|2,0,0]=3 3514 B12R1.69 CCCOc1ccc(cc1Br)Cl 34a_100000211998_100000210303 [0,1,0,0,0,0|1,0,0]=2 3515 B12R1.69 CCCOc1ccc(cc1Br)Cl 7a_100000211998_100000210303 [0,1,0,0,0,0|1,0,0]=2 3516 B12R1.69 CCCOc1ccc(cc1Br)F 34a_100000211999_100000210303 [0,1,0,0,0,0|1,1,0]=3 3517 B12R1.69 CCCOc1ccc(cc1Br)F 7a_100000211999_100000210303 [0,1,0,0,0,0|1,1,0]=3 3518 B12R1.69 CCCOc1ccc(cc1Br)I 34a_100012361655_100000210303 [0,1,0,0,0,0|1,1,0]=3 3519 B12R1.69 CCCOc1ccc(cc1Br)I 7a_100012361655_100000210303 [0,1,0,0,0,0|1,1,0]=3 3520 B12R1.69 CCCOc1ccc(cc1Br)N 34a_100011534360_100000210303 [0,1,0,0,0,0|2,0,0]=3 3521 B12R1.69 CCCOc1ccc(cc1Br)N 7a_100011534360_100000210303 [0,1,0,0,0,0|2,0,0]=3 3522 B12R1.69 CCCOc1ccc(cc1C)Br 34a_100000186361_100000210303 [0,1,0,0,0,0|1,1,0]=3 3523 B12R1.69 CCCOc1ccc(cc1C)Br 7a_100000186361_100000210303 [0,1,0,0,0,0|1,1,0]=3 3524 B12R1.69 CCCOc1ccc(cc1C)C 34a_100000211776_100000210303 [0,1,0,0,0,0|2,0,0]=3 3525 B12R1.69 CCCOc1ccc(cc1C)C 7a_100000211776_100000210303 [0,1,0,0,0,0|2,0,0]=3 3526 B12R1.69 CCCOc1ccc(cc1C)Cl 34a_100000211091_100000210303 [0,1,0,0,0,0|1,0,0]=2 3527 B12R1.69 CCCOc1ccc(cc1C)Cl 7a_100000211091_100000210303 [0,1,0,0,0,0|1,0,0]=2 3528 B12R1.69 CCCOc1ccc(cc1C)F 34a_100000764316_100000210303 [0,1,0,0,0,0|1,1,0]=3 3529 B12R1.69 CCCOc1ccc(cc1C)F 7a_100000764316_100000210303 [0,1,0,0,0,0|1,1,0]=3 3530 B12R1.69 CCCOc1ccc(cc1C)I 34a_100011218673_100000210303 [0,1,0,0,0,0|1,1,0]=3 3531 B12R1.69 CCCOc1ccc(cc1C)I 7a_100011218673_100000210303 [0,1,0,0,0,0|1,1,0]=3 3532 B12R1.69 CCCOc1ccc(cc1C)N 34a_100011218179_100000210303 [0,1,0,0,0,0|2,0,0]=3 3533 B12R1.69 CCCOc1ccc(cc1C)N 7a_100011218179_100000210303 [0,1,0,0,0,0|2,0,0]=3 3534 B12R1.69 CCCOc1ccc(cc1Cl)Br 34a_100000186472_100000210303 [0,1,0,0,0,0|1,1,0]=3 3535 B12R1.69 CCCOc1ccc(cc1Cl)Br 7a_100000186472_100000210303 [0,1,0,0,0,0|1,1,0]=3 3536 B12R1.69 CCCOc1ccc(cc1Cl)C 34a_100000749699_100000210303 [0,1,0,0,0,0|2,0,0]=3 3537 B12R1.69 CCCOc1ccc(cc1Cl)C 7a_100000749699_100000210303 [0,1,0,0,0,0|2,0,0]=3 3538 B12R1.69 CCCOc1ccc(cc1Cl)Cl 34a_100015191787_100000210303 [0,1,0,0,0,0|1,0,0]=2 3539 B12R1.69 CCCOc1ccc(cc1Cl)Cl 7a_100015191787_100000210303 [0,1,0,0,0,0|1,0,0]=2 3540 B12R1.69 CCCOc1ccc(cc1Cl)F 34a_100000212004_100000210303 [0,1,0,0,0,0|1,1,0]=3 3541 B12R1.69 CCCOc1ccc(cc1Cl)F 7a_100000212004_100000210303 [0,1,0,0,0,0|1,1,0]=3 3542 B12R1.69 CCCOc1ccc(cc1Cl)I 34a_100012360047_100000210303 [0,1,0,0,0,0|1,1,0]=3 3543 B12R1.69 CCCOc1ccc(cc1Cl)I 7a_100012360047_100000210303 [0,1,0,0,0,0|1,1,0]=3 3544 B12R1.69 CCCOc1ccc(cc1Cl)N 34a_100000744943_100000210303 [0,1,0,0,0,0|2,0,0]=3 3545 B12R1.69 CCCOc1ccc(cc1Cl)N 7a_100000744943_100000210303 [0,1,0,0,0,0|2,0,0]=3 3546 B12R1.69 CCCOc1ccc(cc1F)Br 34a_100000185481_100000210303 [0,1,0,0,0,0|1,1,0]=3 3547 B12R1.69 CCCOc1ccc(cc1F)Br 7a_100000185481_100000210303 [0,1,0,0,0,0|1,1,0]=3 3548 B12R1.69 CCCOc1ccc(cc1F)C 34a_100011216688_100000210303 [0,1,0,0,0,0|2,0,0]=3 3549 B12R1.69 CCCOc1ccc(cc1F)C 7a_100011216688_100000210303 [0,1,0,0,0,0|2,0,0]=3 3550 B12R1.69 CCCOc1ccc(cc1F)Cl 34a_100000230166_100000210303 [0,1,0,0,0,0|1,0,0]=2 3551 B12R1.69 CCCOc1ccc(cc1F)Cl 7a_100000230166_100000210303 [0,1,0,0,0,0|1,0,0]=2 3552 B12R1.69 CCCOc1ccc(cc1F)F 34a_100000230127_100000210303 [0,1,0,0,0,0|1,1,0]=3 3553 B12R1.69 CCCOc1ccc(cc1F)F 7a_100000230127_100000210303 [0,1,0,0,0,0|1,1,0]=3 3554 B12R1.69 CCCOc1ccc(cc1F)I 34a_100011356965_100000210303 [0,1,0,0,0,0|1,1,0]=3 3555 B12R1.69 CCCOc1ccc(cc1F)I 7a_100011356965_100000210303 [0,1,0,0,0,0|1,1,0]=3 3556 B12R1.69 CCCOc1ccc(cc1F)N 34a_100011220035_100000210303 [0,1,0,0,0,0|2,0,0]=3 3557 B12R1.69 CCCOc1ccc(cc1F)N 7a_100011220035_100000210303 [0,1,0,0,0,0|2,0,0]=3 3558 B12R1.69 CCCOc1ccc(cc1I)Br 34a_100012355227_100000210303 [0,1,0,0,0,0|1,1,0]=3 3559 B12R1.69 CCCOc1ccc(cc1I)Br 7a_100012355227_100000210303 [0,1,0,0,0,0|1,1,0]=3 3560 B12R1.69 CCCOc1ccc(cc1I)C 34a_100000765521_100000210303 [0,1,0,0,0,0|2,0,0]=3 3561 B12R1.69 CCCOc1ccc(cc1I)C 7a_100000765521_100000210303 [0,1,0,0,0,0|2,0,0]=3 3562 B12R1.69 CCCOc1ccc(cc1I)Cl 34a_100011356953_100000210303 [0,1,0,0,0,0|1,0,0]=2 3563 B12R1.69 CCCOc1ccc(cc1I)Cl 7a_100011356953_100000210303 [0,1,0,0,0,0|1,0,0]=2 3564 B12R1.69 CCCOc1ccc(cc1I)F 34a_100012355409_100000210303 [0,1,0,0,0,0|1,1,0]=3 3565 B12R1.69 CCCOc1ccc(cc1I)F 7a_100012355409_100000210303 [0,1,0,0,0,0|1,1,0]=3 3566 B12R1.69 CCCOc1ccc(cc1I)I 7a_100010001573_100000210303 [0,1,0,0,0,0|1,1,0]=3 3567 B12R1.69 CCCOc1ccc(cc1N)Br 34a_100000752626_100000210303 [0,1,0,0,0,0|1,1,0]=3 3568 B12R1.69 CCCOc1ccc(cc1N)Br 7a_100000752626_100000210303 [0,1,0,0,0,0|1,1,0]=3 3569 B12R1.69 CCCOc1ccc(cc1N)C 34a_100011215204_100000210303 [0,1,0,0,0,0|2,0,0]=3 3570 B12R1.69 CCCOc1ccc(cc1N)C 7a_100011215204_100000210303 [0,1,0,0,0,0|2,0,0]=3 3571 B12R1.69 CCCOc1ccc(cc1N)Cl 34a_100000210500_100000210303 [0,1,0,0,0,0|1,0,0]=2 3572 B12R1.69 CCCOc1ccc(cc1N)Cl 7a_100000210500_100000210303 [0,1,0,0,0,0|1,0,0]=2 3573 B12R1.69 CCCOc1ccc(cc1N)F 34a_100000759472_100000210303 [0,1,0,0,0,0|1,1,0]=3 3574 B12R1.69 CCCOc1ccc(cc1N)F 7a_100000759472_100000210303 [0,1,0,0,0,0|1,1,0]=3 3575 B12R1.69 CCCOc1ccc(cc1N)I 34a_100000753495_100000210303 [0,1,0,0,0,0|1,1,0]=3 3576 B12R1.69 CCCOc1ccc(cc1N)I 7a_100000753495_100000210303 [0,1,0,0,0,0|1,1,0]=3 3577 B12R1.69 CCCOc1ccc(cc1N)N 34a_100000725306_100000210303 [0,1,0,0,0,0|2,0,0]=3 3578 B12R1.69 CCCOc1ccc(cc1O)F 271570a_203496583355_200000171698 [0,1,0,0,0,0|1,1,0]=3 3579 B12R1.69 CCCOc1ccc(nc1Br)Br 34a_100009999766_100000210303 [0,1,0,0,0,0|2,1,0]=4 3580 B12R1.69 CCCOc1ccc(nc1Br)Br 7a_100009999766_100000210303 [0,1,0,0,0,0|2,1,0]=4 3581 B12R1.69 CCCOc1ccc(nc1Br)C 34a_100000702858_100000210303 [0,1,0,0,0,0|3,0,0]=4 3582 B12R1.69 CCCOc1ccc(nc1Br)C 7a_100000702858_100000210303 [0,1,0,0,0,0|3,0,0]=4 3583 B12R1.69 CCCOc1ccc(nc1Br)Cl 34a_100010219353_100000210303 [0,1,0,0,0,0|2,0,0]=3 3584 B12R1.69 CCCOc1ccc(nc1Br)Cl 7a_100010219353_100000210303 [0,1,0,0,0,0|2,0,0]=3 3585 B12R1.69 CCCOc1ccc(nc1Br)F 34a_100009887730_100000210303 [0,1,0,0,0,0|2,1,0]=4 3586 B12R1.69 CCCOc1ccc(nc1Br)F 7a_100009887730_100000210303 [0,1,0,0,0,0|2,1,0]=4 3587 B12R1.69 CCCOc1ccc(nc1Br)I 34a_100000725334_100000210303 [0,1,0,0,0,0|2,1,0]=4 3588 B12R1.69 CCCOc1ccc(nc1Br)I 7a_100000725334_100000210303 [0,1,0,0,0,0|2,1,0]=4 3589 B12R1.69 CCCOc1ccc(nc1C)Br 34a_100012002022_100000210303 [0,1,0,0,0,0|2,1,0]=4 3590 B12R1.69 CCCOc1ccc(nc1C)Br 7a_100012002022_100000210303 [0,1,0,0,0,0|2,1,0]=4 3591 B12R1.69 CCCOc1ccc(nc1C)C 34a_100011218912_100000210303 [0,1,0,0,0,0|3,0,0]=4 3592 B12R1.69 CCCOc1ccc(nc1C)C 7a_100011218912_100000210303 [0,1,0,0,0,0|3,0,0]=4 3593 B12R1.69 CCCOc1ccc(nc1C)Cl 34a_100012184626_100000210303 [0,1,0,0,0,0|2,0,0]=3 3594 B12R1.69 CCCOc1ccc(nc1C)Cl 7a_100012184626_100000210303 [0,1,0,0,0,0|2,0,0]=3 3595 B12R1.69 CCCOc1ccc(nc1C)F 34a_100009881036_100000210303 [0,1,0,0,0,0|2,1,0]=4 3596 B12R1.69 CCCOc1ccc(nc1C)F 7a_100009881036_100000210303 [0,1,0,0,0,0|2,1,0]=4 3597 B12R1.69 CCCOc1ccc(nc1C)I 34a_100010233687_100000210303 [0,1,0,0,0,0|2,1,0]=4 3598 B12R1.69 CCCOc1ccc(nc1C)I 7a_100010233687_100000210303 [0,1,0,0,0,0|2,1,0]=4 3599 B12R1.69 CCCOc1ccc(nc1Cl)Br 34a_100010246206_100000210303 [0,1,0,0,0,0|2,1,0]=4 3600 B12R1.69 CCCOc1ccc(nc1Cl)Br 7a_100010246206_100000210303 [0,1,0,0,0,0|2,1,0]=4 3601 B12R1.69 CCCOc1ccc(nc1Cl)C 34a_100000086286_100000210303 [0,1,0,0,0,0|3,0,0]=4 3602 B12R1.69 CCCOc1ccc(nc1Cl)C 7a_100000086286_100000210303 [0,1,0,0,0,0|3,0,0]=4 3603 B12R1.69 CCCOc1ccc(nc1Cl)Cl 34a_100000101165_100000210303 [0,1,0,0,0,0|2,0,0]=3 3604 B12R1.69 CCCOc1ccc(nc1Cl)Cl 7a_100000101165_100000210303 [0,1,0,0,0,0|2,0,0]=3 3605 B12R1.69 CCCOc1ccc(nc1Cl)I 34a_100000721234_100000210303 [0,1,0,0,0,0|2,1,0]=4 3606 B12R1.69 CCCOc1ccc(nc1Cl)I 7a_100000721234_100000210303 [0,1,0,0,0,0|2,1,0]=4 3607 B12R1.69 CCCOc1ccc(nc1F)Br 34a_100009819667_100000210303 [0,1,0,0,0,0|2,1,0]=4 3608 B12R1.69 CCCOc1ccc(nc1F)Br 7a_100009819667_100000210303 [0,1,0,0,0,0|2,1,0]=4 3609 B12R1.69 CCCOc1ccc(nc1F)C 34a_100000079963_100000210303 [0,1,0,0,0,0|3,0,0]=4 3610 B12R1.69 CCCOc1ccc(nc1F)C 7a_100000079963_100000210303 [0,1,0,0,0,0|3,0,0]=4 3611 B12R1.69 CCCOc1ccc(nc1F)Cl 34a_100009880201_100000210303 [0,1,0,0,0,0|2,0,0]=3 3612 B12R1.69 CCCOc1ccc(nc1F)Cl 7a_100009880201_100000210303 [0,1,0,0,0,0|2,0,0]=3 3613 B12R1.69 CCCOc1ccc(nc1F)F 34a_100000101184_100000210303 [0,1,0,0,0,0|2,1,0]=4 3614 B12R1.69 CCCOc1ccc(nc1F)F 7a_100000101184_100000210303 [0,1,0,0,0,0|2,1,0]=4 3615 B12R1.69 CCCOc1ccc(nc1I)Br 34a_100010253912_100000210303 [0,1,0,0,0,0|2,1,0]=4 3616 B12R1.69 CCCOc1ccc(nc1I)Br 7a_100010253912_100000210303 [0,1,0,0,0,0|2,1,0]=4 3617 B12R1.69 CCCOc1ccc(nc1I)C 34a_100000023897_100000210303 [0,1,0,0,0,0|3,0,0]=4 3618 B12R1.69 CCCOc1ccc(nc1I)C 7a_100000023897_100000210303 [0,1,0,0,0,0|3,0,0]=4 3619 B12R1.69 CCCOc1ccc(nc1I)Cl 34a_100000696390_100000210303 [0,1,0,0,0,0|2,0,0]=3 3620 B12R1.69 CCCOc1ccc(nc1I)Cl 7a_100000696390_100000210303 [0,1,0,0,0,0|2,0,0]=3 3621 B12R1.69 CCCOc1ccc(nc1I)F 34a_100010382442_100000210303 [0,1,0,0,0,0|2,1,0]=4 3622 B12R1.69 CCCOc1ccc(nc1I)F 7a_100010382442_100000210303 [0,1,0,0,0,0|2,1,0]=4 3623 B12R1.69 CCCOc1ccc(nc1N)Br 34a_100000685527_100000210303 [0,1,0,0,0,0|2,1,0]=4 3624 B12R1.69 CCCOc1ccc(nc1N)Br 7a_100000685527_100000210303 [0,1,0,0,0,0|2,1,0]=4 3625 B12R1.69 CCCOc1ccc(nc1N)C 34a_100000694039_100000210303 [0,1,0,0,0,0|3,0,0]=4 3626 B12R1.69 CCCOc1ccc(nc1N)C 7a_100000694039_100000210303 [0,1,0,0,0,0|3,0,0]=4 3627 B12R1.69 CCCOc1ccc(nc1N)Cl 34a_100000717809_100000210303 [0,1,0,0,0,0|2,0,0]=3 3628 B12R1.69 CCCOc1ccc(nc1N)Cl 7a_100000717809_100000210303 [0,1,0,0,0,0|2,0,0]=3 3629 B12R1.69 CCCOc1cnc(cc1Br)C 34a_100009843476_100000210303 [0,1,0,0,0,0|3,0,0]=4 3630 B12R1.69 CCCOc1cnc(cc1Br)C 7a_100009843476_100000210303 [0,1,0,0,0,0|3,0,0]=4 3631 B12R1.69 CCCOc1cnc(cc1C)C 34a_200000068632_100000210303 [0,1,0,0,0,0|3,0,0]=4 3632 B12R1.69 CCCOc1cnc(cc1C)C 7a_200000068632_100000210303 [0,1,0,0,0,0|3,0,0]=4 3633 B12R1.69 CCCOc1cnc(cc1C)Cl 34a_100000692680_100000210303 [0,1,0,0,0,0|2,0,0]=3 3634 B12R1.69 CCCOc1cnc(cc1C)Cl 7a_100000692680_100000210303 [0,1,0,0,0,0|2,0,0]=3 3635 B12R1.69 CCCOc1cnc(cc1C)F 34a_100009856773_100000210303 [0,1,0,0,0,0|2,1,0]=4 3636 B12R1.69 CCCOc1cnc(cc1C)F 7a_100009856773_100000210303 [0,1,0,0,0,0|2,1,0]=4 3637 B12R1.69 CCCOc1cnc(cc1Cl)Cl 34a_100009868576_100000210303 [0,1,0,0,0,0|2,0,0]=3 3638 B12R1.69 CCCOc1cnc(cc1Cl)Cl 7a_100009868576_100000210303 [0,1,0,0,0,0|2,0,0]=3 3639 B12R1.69 CCCOc1cnc(cc1F)F 34a_100009885687_100000210303 [0,1,0,0,0,0|2,1,0]=4 3640 B12R1.69 CCCOc1cnc(cc1F)F 7a_100009885687_100000210303 [0,1,0,0,0,0|2,1,0]=4 3641 B12R1.69 CCCOc1cnc(cc1I)Cl 34a_100000698892_100000210303 [0,1,0,0,0,0|2,0,0]=3 3642 B12R1.69 CCCOc1cnc(cc1I)Cl 7a_100000698892_100000210303 [0,1,0,0,0,0|2,0,0]=3 3643 B12R1.69 CCCOc1cnc(cc1N)Br 34a_100009819941_100000210303 [0,1,0,0,0,0|2,1,0]=4 3644 B12R1.69 CCCOc1cnc(cc1N)Br 7a_100009819941_100000210303 [0,1,0,0,0,0|2,1,0]=4 3645 B12R1.69 CCCOc1cnc(nc1Cl)Cl 34a_100010725077_100000210303 [0,1,0,0,0,0|3,0,0]=4 3646 B12R1.69 CCCOc1cnc(nc1Cl)Cl 7a_100010725077_100000210303 [0,1,0,0,0,0|3,0,0]=4 3647 B12R1.69 CCCOc1coc(cc1=O)C 34a_100000081520_100000210303 [0,1,0,0,0,0|3,0,0]=4 3648 B12R1.69 CCCOc1ncc(cc1Br)Br 34a_100000701035_100000210303 [0,1,0,0,0,0|2,1,0]=4 3649 B12R1.69 CCCOc1ncc(cc1Br)C 34a_100000719714_100000210303 [0,1,0,0,0,0|3,0,0]=4 3650 B12R1.69 CCCOc1ncc(cc1C)Br 34a_100000685391_100000210303 [0,1,0,0,0,0|2,1,0]=4 3651 B12R1.69 CCCOc1ncc(cc1C)O 271570a_203496583355_200012348856 [0,1,0,0,0,0|3,0,0]=4 3652 B12R1.69 CCCOc1ncc(cc1Cl)Br 34a_100012339560_100000210303 [0,1,0,0,0,0|2,1,0]=4 3653 B12R1.69 CCCOc1ncc(cc1Cl)F 34a_100009847679_100000210303 [0,1,0,0,0,0|2,1,0]=4 3654 B12R1.69 CCCOc1ncc(cc1F)Cl 34a_100011998252_100000210303 [0,1,0,0,0,0|2,0,0]=3 3655 B12R1.69 CCCOc1ncc(cc1F)F 34a_100012025737_100000210303 [0,1,0,0,0,0|2,1,0]=4 3656 B12R1.69 CCCOc1ncc(cc1N)Br 34a_100000743729_100000210303 [0,1,0,0,0,0|2,1,0]=4 3657 B12R1.69 CCCOc1ncc(cc1N)C 34a_100012000488_100000210303 [0,1,0,0,0,0|3,0,0]=4 3658 B12R1.69 CCCOc1ncc(cc1N)Cl 34a_100011998249_100000210303 [0,1,0,0,0,0|2,0,0]=3 3659 B12R1.69 CCCOc1ncc(cc1O)C 271570a_203496583355_100013847041 [0,1,0,0,0,0|3,0,0]=4 3660 B12R1.69 CCCSc1ccc(cc1Br)Br 62a_100000210303_100011484698 [0,1,0,0,0,0|1,2,0]=4 3661 B12R1.69 CCCSc1ccc(cc1Br)Br 62a_100011484698_100000210303 [0,1,0,0,0,0|1,2,0]=4 3662 B12R1.69 CCCSc1ccc(cc1Br)C 62a_100000210303_100009813563 [0,1,0,0,0,0|2,1,0]=4 3663 B12R1.69 CCCSc1ccc(cc1Br)C 62a_100009813563_100000210303 [0,1,0,0,0,0|2,1,0]=4 3664 B12R1.69 CCCSc1ccc(cc1Br)Cl 62a_100000210303_100011219703 [0,1,0,0,0,0|1,1,0]=3 3665 B12R1.69 CCCSc1ccc(cc1Br)Cl 62a_100011219703_100000210303 [0,1,0,0,0,0|1,1,0]=3 3666 B12R1.69 CCCSc1ccc(cc1Br)F 62a_100000210303_100011217111 [0,1,0,0,0,0|1,2,0]=4 3667 B12R1.69 CCCSc1ccc(cc1Br)F 62a_100011217111_100000210303 [0,1,0,0,0,0|1,2,0]=4 3668 B12R1.69 CCCSc1ccc(cc1Br)N 62a_100000210303_100000750458 [0,1,0,0,0,0|2,1,0]=4 3669 B12R1.69 CCCSc1ccc(cc1Br)N 62a_100000750458_100000210303 [0,1,0,0,0,0|2,1,0]=4 3670 B12R1.69 CCCSc1ccc(cc1Br)O 62a_100000210303_100000701344 [0,1,0,0,0,0|2,1,0]=4 3671 B12R1.69 CCCSc1ccc(cc1Br)O 62a_100000701344_100000210303 [0,1,0,0,0,0|2,1,0]=4 3672 B12R1.69 CCCSc1ccc(cc1C)Br 62a_100000210303_100000701812 [0,1,0,0,0,0|1,2,0]=4 3673 B12R1.69 CCCSc1ccc(cc1C)Br 62a_100000701812_100000210303 [0,1,0,0,0,0|1,2,0]=4 3674 B12R1.69 CCCSc1ccc(cc1C)C 62a_100000210303_100011217332 [0,1,0,0,0,0|2,1,0]=4 3675 B12R1.69 CCCSc1ccc(cc1C)C 62a_100011217332_100000210303 [0,1,0,0,0,0|2,1,0]=4 3676 B12R1.69 CCCSc1ccc(cc1C)Cl 62a_100000210303_100011219607 [0,1,0,0,0,0|1,1,0]=3 3677 B12R1.69 CCCSc1ccc(cc1C)Cl 62a_100011219607_100000210303 [0,1,0,0,0,0|1,1,0]=3 3678 B12R1.69 CCCSc1ccc(cc1C)F 62a_100000210303_100011205405 [0,1,0,0,0,0|1,2,0]=4 3679 B12R1.69 CCCSc1ccc(cc1C)F 62a_100011205405_100000210303 [0,1,0,0,0,0|1,2,0]=4 3680 B12R1.69 CCCSc1ccc(cc1C)N 62a_100000210303_100000210723 [0,1,0,0,0,0|2,1,0]=4 3681 B12R1.69 CCCSc1ccc(cc1C)N 62a_100000210723_100000210303 [0,1,0,0,0,0|2,1,0]=4 3682 B12R1.69 CCCSc1ccc(cc1C)O 62a_100000210303_100000690111 [0,1,0,0,0,0|2,1,0]=4 3683 B12R1.69 CCCSc1ccc(cc1Cl)Br 62a_100000210303_100011216062 [0,1,0,0,0,0|1,2,0]=4 3684 B12R1.69 CCCSc1ccc(cc1Cl)Br 62a_100011216062_100000210303 [0,1,0,0,0,0|1,2,0]=4 3685 B12R1.69 CCCSc1ccc(cc1Cl)C 62a_100000210303_100011263221 [0,1,0,0,0,0|2,1,0]=4 3686 B12R1.69 CCCSc1ccc(cc1Cl)C 62a_100011263221_100000210303 [0,1,0,0,0,0|2,1,0]=4 3687 B12R1.69 CCCSc1ccc(cc1Cl)Cl 62a_100000210303_100000699841 [0,1,0,0,0,0|1,1,0]=3 3688 B12R1.69 CCCSc1ccc(cc1Cl)Cl 62a_100000699841_100000210303 [0,1,0,0,0,0|1,1,0]=3 3689 B12R1.69 CCCSc1ccc(cc1Cl)F 62a_100000210303_100000733362 [0,1,0,0,0,0|1,2,0]=4 3690 B12R1.69 CCCSc1ccc(cc1Cl)F 62a_100000733362_100000210303 [0,1,0,0,0,0|1,2,0]=4 3691 B12R1.69 CCCSc1ccc(cc1Cl)N 62a_100000210303_100000761885 [0,1,0,0,0,0|2,1,0]=4 3692 B12R1.69 CCCSc1ccc(cc1Cl)N 62a_100000761885_100000210303 [0,1,0,0,0,0|2,1,0]=4 3693 B12R1.69 CCCSc1ccc(cc1Cl)O 62a_100000047559_100000210303 [0,1,0,0,0,0|2,1,0]=4 3694 B12R1.69 CCCSc1ccc(cc1Cl)O 62a_100000210303_100000047559 [0,1,0,0,0,0|2,1,0]=4 3695 B12R1.69 CCCSc1ccc(cc1F)Br 62a_100000210303_100009814013 [0,1,0,0,0,0|1,2,0]=4 3696 B12R1.69 CCCSc1ccc(cc1F)Br 62a_100009814013_100000210303 [0,1,0,0,0,0|1,2,0]=4 3697 B12R1.69 CCCSc1ccc(cc1F)C 62a_100000210303_100011216119 [0,1,0,0,0,0|2,1,0]=4 3698 B12R1.69 CCCSc1ccc(cc1F)C 62a_100011216119_100000210303 [0,1,0,0,0,0|2,1,0]=4 3699 B12R1.69 CCCSc1ccc(cc1F)Cl 62a_100000210303_100011216042 [0,1,0,0,0,0|1,1,0]=3 3700 B12R1.69 CCCSc1ccc(cc1F)Cl 62a_100011216042_100000210303 [0,1,0,0,0,0|1,1,0]=3 3701 B12R1.69 CCCSc1ccc(cc1F)F 62a_100000210303_100000750030 [0,1,0,0,0,0|1,2,0]=4 3702 B12R1.69 CCCSc1ccc(cc1F)F 62a_100000750030_100000210303 [0,1,0,0,0,0|1,2,0]=4 3703 B12R1.69 CCCSc1ccc(cc1F)N 62a_100000210303_100011356925 [0,1,0,0,0,0|2,1,0]=4 3704 B12R1.69 CCCSc1ccc(cc1F)N 62a_100011356925_100000210303 [0,1,0,0,0,0|2,1,0]=4 3705 B12R1.69 CCCSc1ccc(cc1F)O 62a_100000210303_100000755031 [0,1,0,0,0,0|2,1,0]=4 3706 B12R1.69 CCCSc1ccc(cc1F)O 62a_100000755031_100000210303 [0,1,0,0,0,0|2,1,0]=4 3707 B12R1.69 CCCSc1ccc(cc1N)Br 62a_100000210303_100000743836 [0,1,0,0,0,0|1,2,0]=4 3708 B12R1.69 CCCSc1ccc(cc1N)Br 62a_100000743836_100000210303 [0,1,0,0,0,0|1,2,0]=4 3709 B12R1.69 CCCSc1ccc(cc1N)C 62a_100000210303_100011216686 [0,1,0,0,0,0|2,1,0]=4 3710 B12R1.69 CCCSc1ccc(cc1N)C 62a_100011216686_100000210303 [0,1,0,0,0,0|2,1,0]=4 3711 B12R1.69 CCCSc1ccc(cc1N)Cl 62a_100000210303_100000761886 [0,1,0,0,0,0|1,1,0]=3 3712 B12R1.69 CCCSc1ccc(cc1N)Cl 62a_100000761886_100000210303 [0,1,0,0,0,0|1,1,0]=3 3713 B12R1.69 CCCSc1ccc(cc1N)F 62a_100000210303_100000687223 [0,1,0,0,0,0|1,2,0]=4 3714 B12R1.69 CCCSc1ccc(cc1N)F 62a_100000687223_100000210303 [0,1,0,0,0,0|1,2,0]=4 3715 B12R1.69 CCCSc1ccc(cc1N)N 62a_100000210303_200012175722 [0,1,0,0,0,0|2,1,0]=4 3716 B12R1.69 CCCSc1ccc(cc1N)N 62a_200012175722_100000210303 [0,1,0,0,0,0|2,1,0]=4 3717 B12R1.69 CCCSc1ccc(cc1N)O 62a_100000210303_100011999798 [0,1,0,0,0,0|2,1,0]=4 3718 B12R1.69 CCCSc1ccc(cc1N)O 62a_100011999798_100000210303 [0,1,0,0,0,0|2,1,0]=4 3719 B12R1.69 CCCSc1ccc(cc1O)Br 62a_100000210303_100012344904 [0,1,0,0,0,0|1,2,0]=4 3720 B12R1.69 CCCSc1ccc(cc1O)Br 62a_100012344904_100000210303 [0,1,0,0,0,0|1,2,0]=4 3721 B12R1.69 CCCSc1ccc(cc1O)C 62a_100000210303_100012002257 [0,1,0,0,0,0|2,1,0]=4 3722 B12R1.69 CCCSc1ccc(cc1O)C 62a_100012002257_100000210303 [0,1,0,0,0,0|2,1,0]=4 3723 B12R1.69 CCCSc1ccc(cc1O)Cl 62a_100000050036_100000210303 [0,1,0,0,0,0|1,1,0]=3 3724 B12R1.69 CCCSc1ccc(cc1O)Cl 62a_100000210303_100000050036 [0,1,0,0,0,0|1,1,0]=3 3725 B12R1.69 CCCSc1ccc(cc1O)F 62a_100000210303_100000690578 [0,1,0,0,0,0|1,2,0]=4 3726 B12R1.69 CCCSc1ccc(cc1O)F 62a_100000690578_100000210303 [0,1,0,0,0,0|1,2,0]=4 3727 B12R1.69 CCCSc1ccc(cc1O)O 62a_100000210303_100009813921 [0,1,0,0,0,0|2,1,0]=4 3728 B12R1.69 CCCSc1ccc(nc1C)Cl 62a_100000062408_100000210303 [0,1,0,0,0,0|2,1,0]=4 3729 B12R1.69 CCCSc1ccc(nc1C)Cl 62a_100000210303_100000062408 [0,1,0,0,0,0|2,1,0]=4 3730 B12R1.69 CCCSc1ccc(nc1Cl)Cl 62a_100000210303_100000043682 [0,1,0,0,0,0|2,1,0]=4 3731 B12R1.69 CCCSc1ccc(nc1F)Cl 62a_100000210303_100010168078 [0,1,0,0,0,0|2,1,0]=4 3732 B12R1.69 CCCSc1ccc(nc1F)Cl 62a_100010168078_100000210303 [0,1,0,0,0,0|2,1,0]=4 3733 B12R1.69 CCCSc1ccc(nc1N)Cl 62a_100000210303_100010171640 [0,1,0,0,0,0|2,1,0]=4 3734 B12R1.69 CCCSc1ccc(nc1N)Cl 62a_100010171640_100000210303 [0,1,0,0,0,0|2,1,0]=4 3735 B12R1.69 CCCSc1cnc(cc1C)Cl 62a_100000210303_100010172789 [0,1,0,0,0,0|2,1,0]=4 3736 B12R1.69 CCCSc1cnc(cc1C)Cl 62a_100010172789_100000210303 [0,1,0,0,0,0|2,1,0]=4 3737 B12R1.69 CCCSc1cnc(cc1Cl)Cl 62a_100000210303_100010200927 [0,1,0,0,0,0|2,1,0]=4 3738 B12R1.69 CCCSc1cnc(cc1Cl)Cl 62a_100010200927_100000210303 [0,1,0,0,0,0|2,1,0]=4 3739 B12R1.69 CCCSc1cnc(cc1F)Cl 62a_100000210303_100010128100 [0,1,0,0,0,0|2,1,0]=4 3740 B12R1.69 CCCSc1cnc(cc1F)Cl 62a_100010128100_100000210303 [0,1,0,0,0,0|2,1,0]=4 3741 B12R1.69 CCCSc1cnc(cc1N)Cl 62a_100000210303_100010209552 [0,1,0,0,0,0|2,1,0]=4 3742 B12R1.69 CCCSc1cnc(cc1N)Cl 62a_100010209552_100000210303 [0,1,0,0,0,0|2,1,0]=4 3743 B12R1.69 CCCSc1ncc(cc1Br)Cl 62a_100000210303_100012154958 [0,1,0,0,0,0|2,1,0]=4 3744 B12R1.69 CCCSc1ncc(cc1Br)Cl 62a_100012154958_100000210303 [0,1,0,0,0,0|2,1,0]=4 3745 B12R1.69 CCCSc1ncc(cc1F)Cl 62a_100000210303_100012348686 [0,1,0,0,0,0|2,1,0]=4 3746 B12R1.69 CCCSc1ncc(cc1F)Cl 62a_100012348686_100000210303 [0,1,0,0,0,0|2,1,0]=4 3747 B12R1.69 CCCSc1ncc(cc1O)Cl 62a_100000210303_100010233512 [0,1,0,0,0,0|2,1,0]=4 3748 B12R1.69 CCCSc1ncc(cc1O)Cl 62a_100010233512_100000210303 [0,1,0,0,0,0|2,1,0]=4 3749 B12R1.69 CCNCc1ccc(cc1Br)Cl 207a_100015525214_100000687667 [0,1,0,0,0,0|3,0,0]=4 3750 B12R1.69 CCNCc1ccc(cc1Br)Cl 2230a_100015525214_100000755608 [0,1,0,0,0,0|3,0,0]=4 3751 B12R1.69 CCNCc1ccc(cc1Br)Cl 270004a_100015525214_100000687667 [0,1,0,0,0,0|3,0,0]=4 3752 B12R1.69 CCNCc1ccc(cc1Br)Cl 34a_100102692131_100000210202 [0,1,0,0,0,0|3,0,0]=4 3753 B12R1.69 CCNCc1ccc(cc1C)Cl 207a_100015525214_100000766358 [0,1,0,0,0,0|3,0,0]=4 3754 B12R1.69 CCNCc1ccc(cc1C)Cl 2230a_100015525214_100012361307 [0,1,0,0,0,0|3,0,0]=4 3755 B12R1.69 CCNCc1ccc(cc1C)Cl 270004a_100015525214_100000766358 [0,1,0,0,0,0|3,0,0]=4 3756 B12R1.69 CCNCc1ccc(cc1C)Cl 34a_103436540063_100000210202 [0,1,0,0,0,0|3,0,0]=4 3757 B12R1.69 CCNCc1ccc(cc1Cl)Cl 207a_100015525214_100000188887 [0,1,0,0,0,0|3,0,0]=4 3758 B12R1.69 CCNCc1ccc(cc1Cl)Cl 2230a_100015525214_100000188473 [0,1,0,0,0,0|3,0,0]=4 3759 B12R1.69 CCNCc1ccc(cc1Cl)Cl 270004a_100015525214_100000188887 [0,1,0,0,0,0|3,0,0]=4 3760 B12R1.69 CCNCc1ccc(cc1Cl)Cl 34a_100000174880_100000210202 [0,1,0,0,0,0|3,0,0]=4 3761 B12R1.69 CCNCc1ccc(cc1F)Cl 207a_100015525214_100000697372 [0,1,0,0,0,0|3,0,0]=4 3762 B12R1.69 CCNCc1ccc(cc1F)Cl 2230a_100015525214_100000709361 [0,1,0,0,0,0|3,0,0]=4 3763 B12R1.69 CCNCc1ccc(cc1F)Cl 270004a_100015525214_100000697372 [0,1,0,0,0,0|3,0,0]=4 3764 B12R1.69 CCNCc1ccc(cc1F)Cl 34a_100000708496_100000210202 [0,1,0,0,0,0|3,0,0]=4 3765 B12R1.69 CCNCc1ccc(cc1I)Cl 2230a_100015525214_100010254388 [0,1,0,0,0,0|3,0,0]=4 3766 B12R1.69 CCOCc1ccc(cc1Br)Cl 34a_100000707881_100000210202 [0,1,0,0,0,0|3,0,0]=4 3767 B12R1.69 CCOCc1ccc(cc1Br)Cl 34a_100121572206_100000755608 [0,1,0,0,0,0|3,0,0]=4 3768 B12R1.69 CCOCc1ccc(cc1Br)Cl 7a_100000707881_100000210202 [0,1,0,0,0,0|3,0,0]=4 3769 B12R1.69 CCOCc1ccc(cc1C)Cl 34a_100000702939_100000210202 [0,1,0,0,0,0|3,0,0]=4 3770 B12R1.69 CCOCc1ccc(cc1C)Cl 34a_100121572206_100012361307 [0,1,0,0,0,0|3,0,0]=4 3771 B12R1.69 CCOCc1ccc(cc1C)Cl 7a_100000702939_100000210202 [0,1,0,0,0,0|3,0,0]=4 3772 B12R1.69 CCOCc1ccc(cc1Cl)Cl 34a_100000215721_100000210202 [0,1,0,0,0,0|3,0,0]=4 3773 B12R1.69 CCOCc1ccc(cc1Cl)Cl 34a_100121572206_100000188473 [0,1,0,0,0,0|3,0,0]=4 3774 B12R1.69 CCOCc1ccc(cc1Cl)Cl 7a_100000215721_100000210202 [0,1,0,0,0,0|3,0,0]=4 3775 B12R1.69 CCOCc1ccc(cc1F)Cl 34a_100011217562_100000210202 [0,1,0,0,0,0|3,0,0]=4 3776 B12R1.69 CCOCc1ccc(cc1F)Cl 34a_100121572206_100000709361 [0,1,0,0,0,0|3,0,0]=4 3777 B12R1.69 CCOCc1ccc(cc1F)Cl 7a_100011217562_100000210202 [0,1,0,0,0,0|3,0,0]=4 3778 B12R1.69 CCOCc1ccc(cc1I)Cl 34a_100000722340_100000210202 [0,1,0,0,0,0|3,0,0]=4 3779 B12R1.69 CCOCc1ccc(cc1I)Cl 34a_100121572206_100010254388 [0,1,0,0,0,0|3,0,0]=4 3780 B12R1.69 CCOCc1ccc(cc1I)Cl 7a_100000722340_100000210202 [0,1,0,0,0,0|3,0,0]=4 3781 B12R1.69 CCOCc1ccc(cc1N)Cl 34a_100000238622_100000210202 [0,1,0,0,0,0|3,0,0]=4 3782 B12R1.69 CCOCc1ccc(cc1N)Cl 7a_100000238622_100000210202 [0,1,0,0,0,0|3,0,0]=4 3783 B12R1.69 CCSCc1ccc(cc1Br)Cl 62a_100000210202_100000755608 [0,1,0,0,0,0|3,0,0]=4 3784 B12R1.69 CCSCc1ccc(cc1Br)Cl 62a_100000755608_100000210202 [0,1,0,0,0,0|3,0,0]=4 3785 B12R1.69 CCSCc1ccc(cc1C)Cl 62a_100000210202_100012361307 [0,1,0,0,0,0|3,0,0]=4 3786 B12R1.69 CCSCc1ccc(cc1C)Cl 62a_100012361307_100000210202 [0,1,0,0,0,0|3,0,0]=4 3787 B12R1.69 CCSCc1ccc(cc1Cl)Cl 62a_100000188473_100000210202 [0,1,0,0,0,0|3,0,0]=4 3788 B12R1.69 CCSCc1ccc(cc1Cl)Cl 62a_100000210202_100000188473 [0,1,0,0,0,0|3,0,0]=4 3789 B12R1.69 CCSCc1ccc(cc1F)Cl 62a_100000210202_100000709361 [0,1,0,0,0,0|3,0,0]=4 3790 B12R1.69 CCSCc1ccc(cc1F)Cl 62a_100000709361_100000210202 [0,1,0,0,0,0|3,0,0]=4 3791 B12R1.69 CCSCc1ccc(cc1I)Cl 62a_100000210202_100010254388 [0,1,0,0,0,0|3,0,0]=4 3792 B12R1.69 CCSCc1ccc(cc1I)Cl 62a_100010254388_100000210202 [0,1,0,0,0,0|3,0,0]=4 3793 B12R1.69 CNCCc1ccc(cc1Br)Cl 2230a_106832991635_200012945151 [0,1,0,0,0,0|3,0,0]=4 3794 B12R1.69 CNCCc1ccc(cc1Br)Cl 34a_100102657272_200012945151 [0,1,0,0,0,0|3,0,0]=4 3795 B12R1.69 CNCCc1ccc(cc1Br)Cl 7a_106832991635_200012945151 [0,1,0,0,0,0|3,0,0]=4 3796 B12R1.69 CNCCc1ccc(cc1Cl)Cl 2230a_100000210994_200000210301 [0,1,0,0,0,0|3,0,0]=4 3797 B12R1.69 CNCCc1ccc(cc1Cl)Cl 2230a_106832991635_200012161198 [0,1,0,0,0,0|3,0,0]=4 3798 B12R1.69 CNCCc1ccc(cc1Cl)Cl 34a_100000210994_200000210301 [0,1,0,0,0,0|3,0,0]=4 3799 B12R1.69 CNCCc1ccc(cc1Cl)Cl 34a_100102657272_200012161198 [0,1,0,0,0,0|3,0,0]=4 3800 B12R1.69 CNCCc1ccc(cc1Cl)Cl 7a_106832991635_200012161198 [0,1,0,0,0,0|3,0,0]=4 3801 B12R1.69 CNCCc1ccc(cc1F)Cl 2230a_103496529009_200000210301 [0,1,0,0,0,0|3,0,0]=4 3802 B12R1.69 CNCCc1ccc(cc1F)Cl 34a_103496529009_200000210301 [0,1,0,0,0,0|3,0,0]=4 3803 B12R1.69 COCCc1ccc(cc1Br)Cl 34a_100138415774_200012945151 [0,1,0,0,0,0|3,0,0]=4 3804 B12R1.69 COCCc1ccc(cc1Cl)Cl 34a_100011215701_200000210301 [0,1,0,0,0,0|3,0,0]=4 3805 B12R1.69 COCCc1ccc(cc1Cl)Cl 34a_100138415774_200012161198 [0,1,0,0,0,0|3,0,0]=4 3806 B12R1.69 COCCc1ccc(cc1Cl)Cl 7a_100011215701_200000210301 [0,1,0,0,0,0|3,0,0]=4 3807 B12R1.69 COCOc1ccc(cc1F)O 271570a_203496583355_100009812708 [0,1,0,0,0,0|3,0,0]=4 3808 B12R1.69 COCOc1ccc(cc1O)C 271570a_203496583355_100012265689 [0,1,0,0,0,0|3,0,0]=4 3809 B12R1.69 COCSc1ccc(cc1Br)Cl 62a_100000766300_100011219703 [0,1,0,0,0,0|2,1,0]=4 3810 B12R1.69 COCSc1ccc(cc1Br)Cl 62a_100011219703_100000766300 [0,1,0,0,0,0|2,1,0]=4 3811 B12R1.69 COCSc1ccc(cc1C)Cl 62a_100000766300_100011219607 [0,1,0,0,0,0|2,1,0]=4 3812 B12R1.69 COCSc1ccc(cc1C)Cl 62a_100011219607_100000766300 [0,1,0,0,0,0|2,1,0]=4 3813 B12R1.69 COCSc1ccc(cc1Cl)Cl 62a_100000699841_100000766300 [0,1,0,0,0,0|2,1,0]=4 3814 B12R1.69 COCSc1ccc(cc1Cl)Cl 62a_100000766300_100000699841 [0,1,0,0,0,0|2,1,0]=4 3815 B12R1.69 COCSc1ccc(cc1F)Cl 62a_100000766300_100011216042 [0,1,0,0,0,0|2,1,0]=4 3816 B12R1.69 COCSc1ccc(cc1F)Cl 62a_100011216042_100000766300 [0,1,0,0,0,0|2,1,0]=4 3817 B12R1.69 COCSc1ccc(cc1N)Cl 62a_100000761886_100000766300 [0,1,0,0,0,0|2,1,0]=4 3818 B12R1.69 COCSc1ccc(cc1N)Cl 62a_100000766300_100000761886 [0,1,0,0,0,0|2,1,0]=4 3819 B12R1.69 COCSc1ccc(cc1O)Cl 62a_100000050036_100000766300 [0,1,0,0,0,0|2,1,0]=4 3820 B12R1.69 COCSc1ccc(cc1O)Cl 62a_100000766300_100000050036 [0,1,0,0,0,0|2,1,0]=4 3821 B12R1.69 CSCCc1ccc(cc1Br)Cl 62a_200000210301_200012945151 [0,1,0,0,0,0|3,0,0]=4 3822 B12R1.69 CSCCc1ccc(cc1Br)Cl 62a_200012945151_200000210301 [0,1,0,0,0,0|3,0,0]=4 3823 B12R1.69 CSCCc1ccc(cc1Cl)Cl 62a_200000210301_200012161198 [0,1,0,0,0,0|3,0,0]=4 3824 B12R1.69 CSCCc1ccc(cc1Cl)Cl 62a_200012161198_200000210301 [0,1,0,0,0,0|3,0,0]=4 3825 B12R1.69 CSCNc1ccc(cc1Br)Cl 34a_100000752454_100011218213 [0,1,0,0,0,0|3,0,0]=4 3826 B12R1.69 CSCNc1ccc(cc1C)Cl 34a_100000210418_100011218213 [0,1,0,0,0,0|3,0,0]=4 3827 B12R1.69 CSCNc1ccc(cc1Cl)Cl 34a_100000185861_100011218213 [0,1,0,0,0,0|3,0,0]=4 3828 B12R1.69 CSCNc1ccc(cc1F)Cl 34a_100000211020_100011218213 [0,1,0,0,0,0|3,0,0]=4 3829 B12R1.69 CSCNc1ccc(cc1I)Cl 34a_100000761889_100011218213 [0,1,0,0,0,0|3,0,0]=4 3830 B12R1.69 CSCNc1ccc(cc1O)Cl 34a_100000185728_100011218213 [0,1,0,0,0,0|3,0,0]=4 3831 B12R1.69 CSCOc1ccc(cc1Br)Br 34a_100000188717_100011218213 [0,1,0,0,0,0|2,1,0]=4 3832 B12R1.69 CSCOc1ccc(cc1Br)C 34a_100000210800_100011218213 [0,1,0,0,0,0|3,0,0]=4 3833 B12R1.69 CSCOc1ccc(cc1Br)Cl 34a_100000211998_100011218213 [0,1,0,0,0,0|2,0,0]=3 3834 B12R1.69 CSCOc1ccc(cc1Br)F 34a_100000211999_100011218213 [0,1,0,0,0,0|2,1,0]=4 3835 B12R1.69 CSCOc1ccc(cc1Br)I 34a_100012361655_100011218213 [0,1,0,0,0,0|2,1,0]=4 3836 B12R1.69 CSCOc1ccc(cc1Br)N 34a_100011534360_100011218213 [0,1,0,0,0,0|3,0,0]=4 3837 B12R1.69 CSCOc1ccc(cc1C)Br 34a_100000186361_100011218213 [0,1,0,0,0,0|2,1,0]=4 3838 B12R1.69 CSCOc1ccc(cc1C)C 34a_100000211776_100011218213 [0,1,0,0,0,0|3,0,0]=4 3839 B12R1.69 CSCOc1ccc(cc1C)Cl 34a_100000211091_100011218213 [0,1,0,0,0,0|2,0,0]=3 3840 B12R1.69 CSCOc1ccc(cc1C)F 34a_100000764316_100011218213 [0,1,0,0,0,0|2,1,0]=4 3841 B12R1.69 CSCOc1ccc(cc1C)I 34a_100011218673_100011218213 [0,1,0,0,0,0|2,1,0]=4 3842 B12R1.69 CSCOc1ccc(cc1C)N 34a_100011218179_100011218213 [0,1,0,0,0,0|3,0,0]=4 3843 B12R1.69 CSCOc1ccc(cc1Cl)Br 34a_100000186472_100011218213 [0,1,0,0,0,0|2,1,0]=4 3844 B12R1.69 CSCOc1ccc(cc1Cl)C 34a_100000749699_100011218213 [0,1,0,0,0,0|3,0,0]=4 3845 B12R1.69 CSCOc1ccc(cc1Cl)Cl 34a_100015191787_100011218213 [0,1,0,0,0,0|2,0,0]=3 3846 B12R1.69 CSCOc1ccc(cc1Cl)F 34a_100000212004_100011218213 [0,1,0,0,0,0|2,1,0]=4 3847 B12R1.69 CSCOc1ccc(cc1Cl)I 34a_100012360047_100011218213 [0,1,0,0,0,0|2,1,0]=4 3848 B12R1.69 CSCOc1ccc(cc1Cl)N 34a_100000744943_100011218213 [0,1,0,0,0,0|3,0,0]=4 3849 B12R1.69 CSCOc1ccc(cc1F)Br 34a_100000185481_100011218213 [0,1,0,0,0,0|2,1,0]=4 3850 B12R1.69 CSCOc1ccc(cc1F)C 34a_100011216688_100011218213 [0,1,0,0,0,0|3,0,0]=4 3851 B12R1.69 CSCOc1ccc(cc1F)Cl 34a_100000230166_100011218213 [0,1,0,0,0,0|2,0,0]=3 3852 B12R1.69 CSCOc1ccc(cc1F)F 34a_100000230127_100011218213 [0,1,0,0,0,0|2,1,0]=4 3853 B12R1.69 CSCOc1ccc(cc1F)I 34a_100011356965_100011218213 [0,1,0,0,0,0|2,1,0]=4 3854 B12R1.69 CSCOc1ccc(cc1F)N 34a_100011220035_100011218213 [0,1,0,0,0,0|3,0,0]=4 3855 B12R1.69 CSCOc1ccc(cc1I)Br 34a_100012355227_100011218213 [0,1,0,0,0,0|2,1,0]=4 3856 B12R1.69 CSCOc1ccc(cc1I)C 34a_100000765521_100011218213 [0,1,0,0,0,0|3,0,0]=4 3857 B12R1.69 CSCOc1ccc(cc1I)Cl 34a_100011356953_100011218213 [0,1,0,0,0,0|2,0,0]=3 3858 B12R1.69 CSCOc1ccc(cc1I)F 34a_100012355409_100011218213 [0,1,0,0,0,0|2,1,0]=4 3859 B12R1.69 CSCOc1ccc(cc1N)Br 34a_100000752626_100011218213 [0,1,0,0,0,0|2,1,0]=4 3860 B12R1.69 CSCOc1ccc(cc1N)C 34a_100011215204_100011218213 [0,1,0,0,0,0|3,0,0]=4 3861 B12R1.69 CSCOc1ccc(cc1N)Cl 34a_100000210500_100011218213 [0,1,0,0,0,0|2,0,0]=3 3862 B12R1.69 CSCOc1ccc(cc1N)F 34a_100000759472_100011218213 [0,1,0,0,0,0|2,1,0]=4 3863 B12R1.69 CSCOc1ccc(cc1N)I 34a_100000753495_100011218213 [0,1,0,0,0,0|2,1,0]=4 3864 B12R1.69 CSCOc1ccc(cc1N)N 34a_100000725306_100011218213 [0,1,0,0,0,0|3,0,0]=4 3865 B12R1.69 CSCOc1ccc(nc1Br)Cl 34a_100010219353_100011218213 [0,1,0,0,0,0|3,0,0]=4 3866 B12R1.69 CSCOc1ccc(nc1C)Cl 34a_100012184626_100011218213 [0,1,0,0,0,0|3,0,0]=4 3867 B12R1.69 CSCOc1ccc(nc1Cl)Cl 34a_100000101165_100011218213 [0,1,0,0,0,0|3,0,0]=4 3868 B12R1.69 CSCOc1ccc(nc1F)Cl 34a_100009880201_100011218213 [0,1,0,0,0,0|3,0,0]=4 3869 B12R1.69 CSCOc1ccc(nc1I)Cl 34a_100000696390_100011218213 [0,1,0,0,0,0|3,0,0]=4 3870 B12R1.69 CSCOc1ccc(nc1N)Cl 34a_100000717809_100011218213 [0,1,0,0,0,0|3,0,0]=4 3871 B12R1.69 CSCOc1cnc(cc1C)Cl 34a_100000692680_100011218213 [0,1,0,0,0,0|3,0,0]=4 3872 B12R1.69 CSCOc1cnc(cc1Cl)Cl 34a_100009868576_100011218213 [0,1,0,0,0,0|3,0,0]=4 3873 B12R1.69 CSCOc1cnc(cc1I)Cl 34a_100000698892_100011218213 [0,1,0,0,0,0|3,0,0]=4 3874 B12R1.69 CSCOc1ncc(cc1F)Cl 34a_100011998252_100011218213 [0,1,0,0,0,0|3,0,0]=4 3875 B12R1.69 CSCOc1ncc(cc1N)Cl 34a_100011998249_100011218213 [0,1,0,0,0,0|3,0,0]=4 3876 B12R1.69 CSCSc1ccc(cc1Br)Cl 62a_100011218213_100011219703 [0,1,0,0,0,0|2,1,0]=4 3877 B12R1.69 CSCSc1ccc(cc1Br)Cl 62a_100011219703_100011218213 [0,1,0,0,0,0|2,1,0]=4 3878 B12R1.69 CSCSc1ccc(cc1C)Cl 62a_100011218213_100011219607 [0,1,0,0,0,0|2,1,0]=4 3879 B12R1.69 CSCSc1ccc(cc1C)Cl 62a_100011219607_100011218213 [0,1,0,0,0,0|2,1,0]=4 3880 B12R1.69 CSCSc1ccc(cc1Cl)Cl 62a_100000699841_100011218213 [0,1,0,0,0,0|2,1,0]=4 3881 B12R1.69 CSCSc1ccc(cc1Cl)Cl 62a_100011218213_100000699841 [0,1,0,0,0,0|2,1,0]=4 3882 B12R1.69 CSCSc1ccc(cc1F)Cl 62a_100011216042_100011218213 [0,1,0,0,0,0|2,1,0]=4 3883 B12R1.69 CSCSc1ccc(cc1F)Cl 62a_100011218213_100011216042 [0,1,0,0,0,0|2,1,0]=4 3884 B12R1.69 CSCSc1ccc(cc1N)Cl 62a_100000761886_100011218213 [0,1,0,0,0,0|2,1,0]=4 3885 B12R1.69 CSCSc1ccc(cc1N)Cl 62a_100011218213_100000761886 [0,1,0,0,0,0|2,1,0]=4 3886 B12R1.69 CSCSc1ccc(cc1O)Cl 62a_100000050036_100011218213 [0,1,0,0,0,0|2,1,0]=4 3887 B12R1.69 CSCSc1ccc(cc1O)Cl 62a_100011218213_100000050036 [0,1,0,0,0,0|2,1,0]=4 3888 B12R1.69 Cc1c[n+](ccc1SCCO)[O-] 62a_100000211926_100000074940 [0,1,0,0,0,0|2,1,0]=4 3889 B12R1.69 Cc1cc(=O)c(co1)OCCF 34a_100000081520_100011217306 [0,1,0,0,0,0|3,0,0]=4 3890 B12R1.69 Cc1cc(=O)c(co1)OCCO 34a_100000081520_100000211926 [0,1,0,0,0,0|2,0,0]=3 3891 B12R1.69 Cc1cc(c(cn1)OCCF)Br 34a_100009843476_100011217306 [0,1,0,0,0,0|3,0,0]=4 3892 B12R1.69 Cc1cc(c(cn1)OCCF)Br 7a_100009843476_100011217306 [0,1,0,0,0,0|3,0,0]=4 3893 B12R1.69 Cc1cc(c(cn1)OCCF)C 34a_200000068632_100011217306 [0,1,0,0,0,0|3,0,0]=4 3894 B12R1.69 Cc1cc(c(cn1)OCCF)C 7a_200000068632_100011217306 [0,1,0,0,0,0|3,0,0]=4 3895 B12R1.69 Cc1cc(c(cn1)OCCO)Br 34a_100009843476_100000211926 [0,1,0,0,0,0|2,0,0]=3 3896 B12R1.69 Cc1cc(c(cn1)OCCO)Br 7a_100009843476_100000211926 [0,1,0,0,0,0|2,0,0]=3 3897 B12R1.69 Cc1cc(c(cn1)OCCO)C 34a_200000068632_100000211926 [0,1,0,0,0,0|2,0,0]=3 3898 B12R1.69 Cc1cc(c(cn1)OCCO)C 7a_200000068632_100000211926 [0,1,0,0,0,0|2,0,0]=3 3899 B12R1.69 Cc1cc(c(cn1)SCCO)C 62a_100000211926_100009819613 [0,1,0,0,0,0|2,1,0]=4 3900 B12R1.69 Cc1cc(c(cn1)SCCO)C 62a_100009819613_100000211926 [0,1,0,0,0,0|2,1,0]=4 3901 B12R1.69 Cc1cc(c(cn1)SCCO)N 62a_100000211926_100009817891 [0,1,0,0,0,0|2,1,0]=4 3902 B12R1.69 Cc1cc(c(cn1)SCCO)N 62a_100009817891_100000211926 [0,1,0,0,0,0|2,1,0]=4 3903 B12R1.69 Cc1cc(c(cn1)SCCO)O 62a_100000211926_100011016184 [0,1,0,0,0,0|2,1,0]=4 3904 B12R1.69 Cc1cc(c(cn1)SCCO)O 62a_100011016184_100000211926 [0,1,0,0,0,0|2,1,0]=4 3905 B12R1.69 Cc1cc(ccc1CNCF)Cl 34a_103436540063_100015361967 [0,1,0,0,0,0|3,0,0]=4 3906 B12R1.69 Cc1cc(ccc1COCF)Cl 34a_100000702939_100015361967 [0,1,0,0,0,0|3,0,0]=4 3907 B12R1.69 Cc1cc(ccc1COCF)Cl 7a_100000702939_100015361967 [0,1,0,0,0,0|3,0,0]=4 3908 B12R1.69 Cc1cc(ccc1CSCF)Cl 62a_100012361307_100015361967 [0,1,0,0,0,0|3,0,0]=4 3909 B12R1.69 Cc1cc(ccc1CSCF)Cl 62a_100015361967_100012361307 [0,1,0,0,0,0|3,0,0]=4 3910 B12R1.69 Cc1cc(ccc1NCC#N)Cl 7a_100000210418_100011215382 [0,1,0,0,0,0|2,0,1]=4 3911 B12R1.69 Cc1cc(ccc1NCC=O)Cl 34a_100000210418_200009817547 [0,1,0,0,0,0|1,0,2]=4 3912 B12R1.69 Cc1cc(ccc1NCC=O)Cl 7a_100000210418_200015260668 [0,1,0,0,0,0|1,0,2]=4 3913 B12R1.69 Cc1cc(ccc1NCCF)Br 34a_100000211769_100011217306 [0,1,0,0,0,0|2,1,0]=4 3914 B12R1.69 Cc1cc(ccc1NCCF)Br 7a_100000211769_100011217306 [0,1,0,0,0,0|2,1,0]=4 3915 B12R1.69 Cc1cc(ccc1NCCF)Cl 34a_100000210418_100011217306 [0,1,0,0,0,0|2,0,0]=3 3916 B12R1.69 Cc1cc(ccc1NCCF)Cl 7a_100000210418_100011217306 [0,1,0,0,0,0|2,0,0]=3 3917 B12R1.69 Cc1cc(ccc1NCCF)F 34a_100000211637_100011217306 [0,1,0,0,0,0|2,1,0]=4 3918 B12R1.69 Cc1cc(ccc1NCCF)F 7a_100000211637_100011217306 [0,1,0,0,0,0|2,1,0]=4 3919 B12R1.69 Cc1cc(ccc1NCCF)I 34a_100000184554_100011217306 [0,1,0,0,0,0|2,1,0]=4 3920 B12R1.69 Cc1cc(ccc1NCCF)I 7a_100000184554_100011217306 [0,1,0,0,0,0|2,1,0]=4 3921 B12R1.69 Cc1cc(ccc1NCCF)O 34a_100000756630_100011217306 [0,1,0,0,0,0|3,0,0]=4 3922 B12R1.69 Cc1cc(ccc1NCCO)Br 34a_100000211769_100000211926 [0,1,0,0,0,0|1,1,0]=3 3923 B12R1.69 Cc1cc(ccc1NCCO)Br 7a_100000211769_100000211926 [0,1,0,0,0,0|1,1,0]=3 3924 B12R1.69 Cc1cc(ccc1NCCO)Cl 34a_100000210418_100000211926 [0,1,0,0,0,0|1,0,0]=2 3925 B12R1.69 Cc1cc(ccc1NCCO)Cl 7a_100000210418_100000211926 [0,1,0,0,0,0|1,0,0]=2 3926 B12R1.69 Cc1cc(ccc1NCCO)F 34a_100000211637_100000211926 [0,1,0,0,0,0|1,1,0]=3 3927 B12R1.69 Cc1cc(ccc1NCCO)F 7a_100000211637_100000211926 [0,1,0,0,0,0|1,1,0]=3 3928 B12R1.69 Cc1cc(ccc1NCCO)I 34a_100000184554_100000211926 [0,1,0,0,0,0|1,1,0]=3 3929 B12R1.69 Cc1cc(ccc1NCCO)I 7a_100000184554_100000211926 [0,1,0,0,0,0|1,1,0]=3 3930 B12R1.69 Cc1cc(ccc1NCCO)O 34a_100000756630_100000211926 [0,1,0,0,0,0|2,0,0]=3 3931 B12R1.69 Cc1cc(ccc1OCC#N)Br 7a_100000186361_100011215382 [0,1,0,0,0,0|1,1,1]=4 3932 B12R1.69 Cc1cc(ccc1OCC#N)Cl 7a_100000211091_100011215382 [0,1,0,0,0,0|1,0,1]=3 3933 B12R1.69 Cc1cc(ccc1OCC#N)F 7a_100000764316_100011215382 [0,1,0,0,0,0|1,1,1]=4 3934 B12R1.69 Cc1cc(ccc1OCC#N)I 7a_100011218673_100011215382 [0,1,0,0,0,0|1,1,1]=4 3935 B12R1.69 Cc1cc(ccc1OCC#N)N 7a_100011218179_100011215382 [0,1,0,0,0,0|2,0,1]=4 3936 B12R1.69 Cc1cc(ccc1OCC=O)Br 34a_100000186361_200009817547 [0,1,0,0,0,0|0,1,2]=4 3937 B12R1.69 Cc1cc(ccc1OCC=O)Br 7a_100000186361_200015260668 [0,1,0,0,0,0|0,1,2]=4 3938 B12R1.69 Cc1cc(ccc1OCC=O)Cl 34a_100000211091_200009817547 [0,1,0,0,0,0|0,0,2]=3 3939 B12R1.69 Cc1cc(ccc1OCC=O)Cl 7a_100000211091_200015260668 [0,1,0,0,0,0|0,0,2]=3 3940 B12R1.69 Cc1cc(ccc1OCC=O)F 34a_100000764316_200009817547 [0,1,0,0,0,0|0,1,2]=4 3941 B12R1.69 Cc1cc(ccc1OCC=O)F 7a_100000764316_200015260668 [0,1,0,0,0,0|0,1,2]=4 3942 B12R1.69 Cc1cc(ccc1OCC=O)I 34a_100011218673_200009817547 [0,1,0,0,0,0|0,1,2]=4 3943 B12R1.69 Cc1cc(ccc1OCC=O)I 7a_100011218673_200015260668 [0,1,0,0,0,0|0,1,2]=4 3944 B12R1.69 Cc1cc(ccc1OCC=O)N 34a_100011218179_200009817547 [0,1,0,0,0,0|1,0,2]=4 3945 B12R1.69 Cc1cc(ccc1OCC=O)N 7a_100011218179_200015260668 [0,1,0,0,0,0|1,0,2]=4 3946 B12R1.69 Cc1cc(ccc1OCCF)Br 34a_100000186361_100011217306 [0,1,0,0,0,0|1,1,0]=3 3947 B12R1.69 Cc1cc(ccc1OCCF)Br 7a_100000186361_100011217306 [0,1,0,0,0,0|1,1,0]=3 3948 B12R1.69 Cc1cc(ccc1OCCF)Cl 34a_100000211091_100011217306 [0,1,0,0,0,0|1,0,0]=2 3949 B12R1.69 Cc1cc(ccc1OCCF)Cl 7a_100000211091_100011217306 [0,1,0,0,0,0|1,0,0]=2 3950 B12R1.69 Cc1cc(ccc1OCCF)F 34a_100000764316_100011217306 [0,1,0,0,0,0|1,1,0]=3 3951 B12R1.69 Cc1cc(ccc1OCCF)F 7a_100000764316_100011217306 [0,1,0,0,0,0|1,1,0]=3 3952 B12R1.69 Cc1cc(ccc1OCCF)I 34a_100011218673_100011217306 [0,1,0,0,0,0|1,1,0]=3 3953 B12R1.69 Cc1cc(ccc1OCCF)I 7a_100011218673_100011217306 [0,1,0,0,0,0|1,1,0]=3 3954 B12R1.69 Cc1cc(ccc1OCCF)N 34a_100011218179_100011217306 [0,1,0,0,0,0|2,0,0]=3 3955 B12R1.69 Cc1cc(ccc1OCCF)N 7a_100011218179_100011217306 [0,1,0,0,0,0|2,0,0]=3 3956 B12R1.69 Cc1cc(ccc1OCCO)Br 34a_100000186361_100000211926 [0,1,0,0,0,0|0,1,0]=2 3957 B12R1.69 Cc1cc(ccc1OCCO)Br 7a_100000186361_100000211926 [0,1,0,0,0,0|0,1,0]=2 3958 B12R1.69 Cc1cc(ccc1OCCO)Cl 34a_100000211091_100000211926 [0,1,0,0,0,0|0,0,0]=1 3959 B12R1.69 Cc1cc(ccc1OCCO)Cl 7a_100000211091_100000211926 [0,1,0,0,0,0|0,0,0]=1 3960 B12R1.69 Cc1cc(ccc1OCCO)F 34a_100000764316_100000211926 [0,1,0,0,0,0|0,1,0]=2 3961 B12R1.69 Cc1cc(ccc1OCCO)F 7a_100000764316_100000211926 [0,1,0,0,0,0|0,1,0]=2 3962 B12R1.69 Cc1cc(ccc1OCCO)I 34a_100011218673_100000211926 [0,1,0,0,0,0|0,1,0]=2 3963 B12R1.69 Cc1cc(ccc1OCCO)I 7a_100011218673_100000211926 [0,1,0,0,0,0|0,1,0]=2 3964 B12R1.69 Cc1cc(ccc1OCCO)N 34a_100011218179_100000211926 [0,1,0,0,0,0|1,0,0]=2 3965 B12R1.69 Cc1cc(ccc1OCCO)N 7a_100011218179_100000211926 [0,1,0,0,0,0|1,0,0]=2 3966 B12R1.69 Cc1cc(ccc1SCC#N)Cl 62a_100011215382_100011219607 [0,1,0,0,0,0|1,1,1]=4 3967 B12R1.69 Cc1cc(ccc1SCC#N)Cl 62a_100011219607_100011215382 [0,1,0,0,0,0|1,1,1]=4 3968 B12R1.69 Cc1cc(ccc1SCC=O)Cl 62a_100011219607_200015260668 [0,1,0,0,0,0|0,1,2]=4 3969 B12R1.69 Cc1cc(ccc1SCC=O)Cl 62a_200015260668_100011219607 [0,1,0,0,0,0|0,1,2]=4 3970 B12R1.69 Cc1cc(ccc1SCCF)Br 62a_100000701812_100011217306 [0,1,0,0,0,0|1,2,0]=4 3971 B12R1.69 Cc1cc(ccc1SCCF)Br 62a_100011217306_100000701812 [0,1,0,0,0,0|1,2,0]=4 3972 B12R1.69 Cc1cc(ccc1SCCF)Cl 62a_100011217306_100011219607 [0,1,0,0,0,0|1,1,0]=3 3973 B12R1.69 Cc1cc(ccc1SCCF)Cl 62a_100011219607_100011217306 [0,1,0,0,0,0|1,1,0]=3 3974 B12R1.69 Cc1cc(ccc1SCCF)F 62a_100011205405_100011217306 [0,1,0,0,0,0|1,2,0]=4 3975 B12R1.69 Cc1cc(ccc1SCCF)F 62a_100011217306_100011205405 [0,1,0,0,0,0|1,2,0]=4 3976 B12R1.69 Cc1cc(ccc1SCCF)N 62a_100000210723_100011217306 [0,1,0,0,0,0|2,1,0]=4 3977 B12R1.69 Cc1cc(ccc1SCCF)N 62a_100011217306_100000210723 [0,1,0,0,0,0|2,1,0]=4 3978 B12R1.69 Cc1cc(ccc1SCCF)O 62a_100011217306_100000690111 [0,1,0,0,0,0|2,1,0]=4 3979 B12R1.69 Cc1cc(ccc1SCCO)Br 62a_100000211926_100000701812 [0,1,0,0,0,0|0,2,0]=3 3980 B12R1.69 Cc1cc(ccc1SCCO)Br 62a_100000701812_100000211926 [0,1,0,0,0,0|0,2,0]=3 3981 B12R1.69 Cc1cc(ccc1SCCO)Cl 62a_100000211926_100011219607 [0,1,0,0,0,0|0,1,0]=2 3982 B12R1.69 Cc1cc(ccc1SCCO)Cl 62a_100011219607_100000211926 [0,1,0,0,0,0|0,1,0]=2 3983 B12R1.69 Cc1cc(ccc1SCCO)F 62a_100000211926_100011205405 [0,1,0,0,0,0|0,2,0]=3 3984 B12R1.69 Cc1cc(ccc1SCCO)F 62a_100011205405_100000211926 [0,1,0,0,0,0|0,2,0]=3 3985 B12R1.69 Cc1cc(ccc1SCCO)N 62a_100000210723_100000211926 [0,1,0,0,0,0|1,1,0]=3 3986 B12R1.69 Cc1cc(ccc1SCCO)N 62a_100000211926_100000210723 [0,1,0,0,0,0|1,1,0]=3 3987 B12R1.69 Cc1cc(ccc1SCCO)O 62a_100000211926_100000690111 [0,1,0,0,0,0|1,1,0]=3 3988 B12R1.69 Cc1cc(cnc1OCCF)Br 34a_100000685391_100011217306 [0,1,0,0,0,0|2,1,0]=4 3989 B12R1.69 Cc1cc(cnc1OCCO)Br 34a_100000685391_100000211926 [0,1,0,0,0,0|1,1,0]=3 3990 B12R1.69 Cc1cc(cnc1SCCO)Br 62a_100000211926_100012353652 [0,1,0,0,0,0|1,2,0]=4 3991 B12R1.69 Cc1cc(cnc1SCCO)Br 62a_100012353652_100000211926 [0,1,0,0,0,0|1,2,0]=4 3992 B12R1.69 Cc1cc(cnc1SCCO)F 62a_100000211926_100009817009 [0,1,0,0,0,0|1,2,0]=4 3993 B12R1.69 Cc1cc(cnc1SCCO)F 62a_100009817009_100000211926 [0,1,0,0,0,0|1,2,0]=4 3994 B12R1.69 Cc1cc(cnc1SCCO)N 62a_100000211926_100000761747 [0,1,0,0,0,0|2,1,0]=4 3995 B12R1.69 Cc1cc(cnc1SCCO)N 62a_100000761747_100000211926 [0,1,0,0,0,0|2,1,0]=4 3996 B12R1.69 Cc1cc(cnc1SCCO)O 62a_100000211926_100012000486 [0,1,0,0,0,0|2,1,0]=4 3997 B12R1.69 Cc1cc(cnc1SCCO)O 62a_100012000486_100000211926 [0,1,0,0,0,0|2,1,0]=4 3998 B12R1.69 Cc1cc(ncc1OCC#N)Cl 7a_100000692680_100011215382 [0,1,0,0,0,0|2,0,1]=4 3999 B12R1.69 Cc1cc(ncc1OCC=O)Cl 34a_100000692680_200009817547 [0,1,0,0,0,0|1,0,2]=4 4000 B12R1.69 Cc1cc(ncc1OCC=O)Cl 7a_100000692680_200015260668 [0,1,0,0,0,0|1,0,2]=4 4001 B12R1.69 Cc1cc(ncc1OCCF)Cl 34a_100000692680_100011217306 [0,1,0,0,0,0|2,0,0]=3 4002 B12R1.69 Cc1cc(ncc1OCCF)Cl 7a_100000692680_100011217306 [0,1,0,0,0,0|2,0,0]=3 4003 B12R1.69 Cc1cc(ncc1OCCF)F 34a_100009856773_100011217306 [0,1,0,0,0,0|2,1,0]=4 4004 B12R1.69 Cc1cc(ncc1OCCF)F 7a_100009856773_100011217306 [0,1,0,0,0,0|2,1,0]=4 4005 B12R1.69 Cc1cc(ncc1OCCO)Cl 34a_100000692680_100000211926 [0,1,0,0,0,0|1,0,0]=2 4006 B12R1.69 Cc1cc(ncc1OCCO)Cl 7a_100000692680_100000211926 [0,1,0,0,0,0|1,0,0]=2 4007 B12R1.69 Cc1cc(ncc1OCCO)F 34a_100009856773_100000211926 [0,1,0,0,0,0|1,1,0]=3 4008 B12R1.69 Cc1cc(ncc1OCCO)F 7a_100009856773_100000211926 [0,1,0,0,0,0|1,1,0]=3 4009 B12R1.69 Cc1cc(ncc1SCCF)Cl 62a_100010172789_100011217306 [0,1,0,0,0,0|2,1,0]=4 4010 B12R1.69 Cc1cc(ncc1SCCF)Cl 62a_100011217306_100010172789 [0,1,0,0,0,0|2,1,0]=4 4011 B12R1.69 Cc1cc(ncc1SCCO)Br 62a_100000211926_100009816104 [0,1,0,0,0,0|1,2,0]=4 4012 B12R1.69 Cc1cc(ncc1SCCO)Br 62a_100009816104_100000211926 [0,1,0,0,0,0|1,2,0]=4 4013 B12R1.69 Cc1cc(ncc1SCCO)Cl 62a_100000211926_100010172789 [0,1,0,0,0,0|1,1,0]=3 4014 B12R1.69 Cc1cc(ncc1SCCO)Cl 62a_100010172789_100000211926 [0,1,0,0,0,0|1,1,0]=3 4015 B12R1.69 Cc1cc(ncc1SCCO)F 62a_100000211926_100009820716 [0,1,0,0,0,0|1,2,0]=4 4016 B12R1.69 Cc1cc(ncc1SCCO)F 62a_100009820716_100000211926 [0,1,0,0,0,0|1,2,0]=4 4017 B12R1.69 Cc1cc(ncc1SCCO)N 62a_100000050067_100000211926 [0,1,0,0,0,0|2,1,0]=4 4018 B12R1.69 Cc1cc(ncc1SCCO)N 62a_100000211926_100000050067 [0,1,0,0,0,0|2,1,0]=4 4019 B12R1.69 Cc1cc(ncc1SCCO)O 62a_100000211926_100000766222 [0,1,0,0,0,0|2,1,0]=4 4020 B12R1.69 Cc1cc(ncc1SCCO)O 62a_100000766222_100000211926 [0,1,0,0,0,0|2,1,0]=4 4021 B12R1.69 Cc1ccc([n+](c1)[O-])SCCO 62a_100000211926_100009819918 [0,1,0,0,0,0|2,1,0]=4 4022 B12R1.69 Cc1ccc(c(c1)Br)NCCF 34a_100000210942_100011217306 [0,1,0,0,0,0|3,0,0]=4 4023 B12R1.69 Cc1ccc(c(c1)Br)NCCO 34a_100000210942_100000211926 [0,1,0,0,0,0|2,0,0]=3 4024 B12R1.69 Cc1ccc(c(c1)Br)OCC#N 7a_100000210800_100011215382 [0,1,0,0,0,0|2,0,1]=4 4025 B12R1.69 Cc1ccc(c(c1)Br)OCC=O 34a_100000210800_200009817547 [0,1,0,0,0,0|1,0,2]=4 4026 B12R1.69 Cc1ccc(c(c1)Br)OCC=O 7a_100000210800_200015260668 [0,1,0,0,0,0|1,0,2]=4 4027 B12R1.69 Cc1ccc(c(c1)Br)OCCF 34a_100000210800_100011217306 [0,1,0,0,0,0|2,0,0]=3 4028 B12R1.69 Cc1ccc(c(c1)Br)OCCF 7a_100000210800_100011217306 [0,1,0,0,0,0|2,0,0]=3 4029 B12R1.69 Cc1ccc(c(c1)Br)OCCO 34a_100000210800_100000211926 [0,1,0,0,0,0|1,0,0]=2 4030 B12R1.69 Cc1ccc(c(c1)Br)OCCO 7a_100000210800_100000211926 [0,1,0,0,0,0|1,0,0]=2 4031 B12R1.69 Cc1ccc(c(c1)Br)SCCF 62a_100009813563_100011217306 [0,1,0,0,0,0|2,1,0]=4 4032 B12R1.69 Cc1ccc(c(c1)Br)SCCF 62a_100011217306_100009813563 [0,1,0,0,0,0|2,1,0]=4 4033 B12R1.69 Cc1ccc(c(c1)Br)SCCO 62a_100000211926_100009813563 [0,1,0,0,0,0|1,1,0]=3 4034 B12R1.69 Cc1ccc(c(c1)Br)SCCO 62a_100009813563_100000211926 [0,1,0,0,0,0|1,1,0]=3 4035 B12R1.69 Cc1ccc(c(c1)C)NCCF 34a_100000736561_100011217306 [0,1,0,0,0,0|3,0,0]=4 4036 B12R1.69 Cc1ccc(c(c1)C)NCCF 7a_100000736561_100011217306 [0,1,0,0,0,0|3,0,0]=4 4037 B12R1.69 Cc1ccc(c(c1)C)NCCO 34a_100000736561_100000211926 [0,1,0,0,0,0|2,0,0]=3 4038 B12R1.69 Cc1ccc(c(c1)C)NCCO 7a_100000736561_100000211926 [0,1,0,0,0,0|2,0,0]=3 4039 B12R1.69 Cc1ccc(c(c1)C)OCC#N 7a_100000211776_100011215382 [0,1,0,0,0,0|2,0,1]=4 4040 B12R1.69 Cc1ccc(c(c1)C)OCC=O 34a_100000211776_200009817547 [0,1,0,0,0,0|1,0,2]=4 4041 B12R1.69 Cc1ccc(c(c1)C)OCC=O 7a_100000211776_200015260668 [0,1,0,0,0,0|1,0,2]=4 4042 B12R1.69 Cc1ccc(c(c1)C)OCCF 34a_100000211776_100011217306 [0,1,0,0,0,0|2,0,0]=3 4043 B12R1.69 Cc1ccc(c(c1)C)OCCF 7a_100000211776_100011217306 [0,1,0,0,0,0|2,0,0]=3 4044 B12R1.69 Cc1ccc(c(c1)C)OCCO 34a_100000211776_100000211926 [0,1,0,0,0,0|1,0,0]=2 4045 B12R1.69 Cc1ccc(c(c1)C)OCCO 7a_100000211776_100000211926 [0,1,0,0,0,0|1,0,0]=2 4046 B12R1.69 Cc1ccc(c(c1)C)SCCF 62a_100011217306_100011217332 [0,1,0,0,0,0|2,1,0]=4 4047 B12R1.69 Cc1ccc(c(c1)C)SCCF 62a_100011217332_100011217306 [0,1,0,0,0,0|2,1,0]=4 4048 B12R1.69 Cc1ccc(c(c1)C)SCCO 62a_100000211926_100011217332 [0,1,0,0,0,0|1,1,0]=3 4049 B12R1.69 Cc1ccc(c(c1)C)SCCO 62a_100011217332_100000211926 [0,1,0,0,0,0|1,1,0]=3 4050 B12R1.69 Cc1ccc(c(c1)Cl)NCCF 34a_100000210522_100011217306 [0,1,0,0,0,0|3,0,0]=4 4051 B12R1.69 Cc1ccc(c(c1)Cl)NCCO 34a_100000210522_100000211926 [0,1,0,0,0,0|2,0,0]=3 4052 B12R1.69 Cc1ccc(c(c1)Cl)OCC#N 7a_100000749699_100011215382 [0,1,0,0,0,0|2,0,1]=4 4053 B12R1.69 Cc1ccc(c(c1)Cl)OCC=O 34a_100000749699_200009817547 [0,1,0,0,0,0|1,0,2]=4 4054 B12R1.69 Cc1ccc(c(c1)Cl)OCC=O 7a_100000749699_200015260668 [0,1,0,0,0,0|1,0,2]=4 4055 B12R1.69 Cc1ccc(c(c1)Cl)OCCF 34a_100000749699_100011217306 [0,1,0,0,0,0|2,0,0]=3 4056 B12R1.69 Cc1ccc(c(c1)Cl)OCCF 7a_100000749699_100011217306 [0,1,0,0,0,0|2,0,0]=3 4057 B12R1.69 Cc1ccc(c(c1)Cl)OCCO 34a_100000749699_100000211926 [0,1,0,0,0,0|1,0,0]=2 4058 B12R1.69 Cc1ccc(c(c1)Cl)OCCO 7a_100000749699_100000211926 [0,1,0,0,0,0|1,0,0]=2 4059 B12R1.69 Cc1ccc(c(c1)Cl)SCCF 62a_100011217306_100011263221 [0,1,0,0,0,0|2,1,0]=4 4060 B12R1.69 Cc1ccc(c(c1)Cl)SCCF 62a_100011263221_100011217306 [0,1,0,0,0,0|2,1,0]=4 4061 B12R1.69 Cc1ccc(c(c1)Cl)SCCO 62a_100000211926_100011263221 [0,1,0,0,0,0|1,1,0]=3 4062 B12R1.69 Cc1ccc(c(c1)Cl)SCCO 62a_100011263221_100000211926 [0,1,0,0,0,0|1,1,0]=3 4063 B12R1.69 Cc1ccc(c(c1)F)NCCF 34a_100000211023_100011217306 [0,1,0,0,0,0|3,0,0]=4 4064 B12R1.69 Cc1ccc(c(c1)F)NCCO 34a_100000211023_100000211926 [0,1,0,0,0,0|2,0,0]=3 4065 B12R1.69 Cc1ccc(c(c1)F)OCC#N 7a_100011216688_100011215382 [0,1,0,0,0,0|2,0,1]=4 4066 B12R1.69 Cc1ccc(c(c1)F)OCC=O 34a_100011216688_200009817547 [0,1,0,0,0,0|1,0,2]=4 4067 B12R1.69 Cc1ccc(c(c1)F)OCC=O 7a_100011216688_200015260668 [0,1,0,0,0,0|1,0,2]=4 4068 B12R1.69 Cc1ccc(c(c1)F)OCCF 34a_100011216688_100011217306 [0,1,0,0,0,0|2,0,0]=3 4069 B12R1.69 Cc1ccc(c(c1)F)OCCF 7a_100011216688_100011217306 [0,1,0,0,0,0|2,0,0]=3 4070 B12R1.69 Cc1ccc(c(c1)F)OCCO 34a_100011216688_100000211926 [0,1,0,0,0,0|1,0,0]=2 4071 B12R1.69 Cc1ccc(c(c1)F)OCCO 7a_100011216688_100000211926 [0,1,0,0,0,0|1,0,0]=2 4072 B12R1.69 Cc1ccc(c(c1)F)SCCF 62a_100011216119_100011217306 [0,1,0,0,0,0|2,1,0]=4 4073 B12R1.69 Cc1ccc(c(c1)F)SCCF 62a_100011217306_100011216119 [0,1,0,0,0,0|2,1,0]=4 4074 B12R1.69 Cc1ccc(c(c1)F)SCCO 62a_100000211926_100011216119 [0,1,0,0,0,0|1,1,0]=3 4075 B12R1.69 Cc1ccc(c(c1)F)SCCO 62a_100011216119_100000211926 [0,1,0,0,0,0|1,1,0]=3 4076 B12R1.69 Cc1ccc(c(c1)I)NCCF 34a_100011356834_100011217306 [0,1,0,0,0,0|3,0,0]=4 4077 B12R1.69 Cc1ccc(c(c1)I)NCCO 34a_100011356834_100000211926 [0,1,0,0,0,0|2,0,0]=3 4078 B12R1.69 Cc1ccc(c(c1)I)OCC#N 7a_100000765521_100011215382 [0,1,0,0,0,0|2,0,1]=4 4079 B12R1.69 Cc1ccc(c(c1)I)OCC=O 34a_100000765521_200009817547 [0,1,0,0,0,0|1,0,2]=4 4080 B12R1.69 Cc1ccc(c(c1)I)OCC=O 7a_100000765521_200015260668 [0,1,0,0,0,0|1,0,2]=4 4081 B12R1.69 Cc1ccc(c(c1)I)OCCF 34a_100000765521_100011217306 [0,1,0,0,0,0|2,0,0]=3 4082 B12R1.69 Cc1ccc(c(c1)I)OCCF 7a_100000765521_100011217306 [0,1,0,0,0,0|2,0,0]=3 4083 B12R1.69 Cc1ccc(c(c1)I)OCCO 34a_100000765521_100000211926 [0,1,0,0,0,0|1,0,0]=2 4084 B12R1.69 Cc1ccc(c(c1)I)OCCO 7a_100000765521_100000211926 [0,1,0,0,0,0|1,0,0]=2 4085 B12R1.69 Cc1ccc(c(c1)N)OCC#N 7a_100011215204_100011215382 [0,1,0,0,0,0|2,0,1]=4 4086 B12R1.69 Cc1ccc(c(c1)N)OCC=O 34a_100011215204_200009817547 [0,1,0,0,0,0|1,0,2]=4 4087 B12R1.69 Cc1ccc(c(c1)N)OCC=O 7a_100011215204_200015260668 [0,1,0,0,0,0|1,0,2]=4 4088 B12R1.69 Cc1ccc(c(c1)N)OCCF 34a_100011215204_100011217306 [0,1,0,0,0,0|2,0,0]=3 4089 B12R1.69 Cc1ccc(c(c1)N)OCCF 7a_100011215204_100011217306 [0,1,0,0,0,0|2,0,0]=3 4090 B12R1.69 Cc1ccc(c(c1)N)OCCO 34a_100011215204_100000211926 [0,1,0,0,0,0|1,0,0]=2 4091 B12R1.69 Cc1ccc(c(c1)N)OCCO 7a_100011215204_100000211926 [0,1,0,0,0,0|1,0,0]=2 4092 B12R1.69 Cc1ccc(c(c1)N)SCCF 62a_100011216686_100011217306 [0,1,0,0,0,0|2,1,0]=4 4093 B12R1.69 Cc1ccc(c(c1)N)SCCF 62a_100011217306_100011216686 [0,1,0,0,0,0|2,1,0]=4 4094 B12R1.69 Cc1ccc(c(c1)N)SCCO 62a_100000211926_100011216686 [0,1,0,0,0,0|1,1,0]=3 4095 B12R1.69 Cc1ccc(c(c1)N)SCCO 62a_100011216686_100000211926 [0,1,0,0,0,0|1,1,0]=3 4096 B12R1.69 Cc1ccc(c(c1)O)NCCF 34a_100000211527_100011217306 [0,1,0,0,0,0|3,0,0]=4 4097 B12R1.69 Cc1ccc(c(c1)O)NCCO 34a_100000211527_100000211926 [0,1,0,0,0,0|2,0,0]=3 4098 B12R1.69 Cc1ccc(c(c1)O)OCCN 271570a_203496583355_100025744979 [0,1,0,0,0,0|2,0,0]=3 4099 B12R1.69 Cc1ccc(c(c1)O)SCCF 62a_100011217306_100012002257 [0,1,0,0,0,0|2,1,0]=4 4100 B12R1.69 Cc1ccc(c(c1)O)SCCF 62a_100012002257_100011217306 [0,1,0,0,0,0|2,1,0]=4 4101 B12R1.69 Cc1ccc(c(c1)O)SCCO 62a_100000211926_100012002257 [0,1,0,0,0,0|1,1,0]=3 4102 B12R1.69 Cc1ccc(c(c1)O)SCCO 62a_100012002257_100000211926 [0,1,0,0,0,0|1,1,0]=3 4103 B12R1.69 Cc1ccc(c(n1)Br)OCCF 34a_100000702858_100011217306 [0,1,0,0,0,0|3,0,0]=4 4104 B12R1.69 Cc1ccc(c(n1)Br)OCCF 7a_100000702858_100011217306 [0,1,0,0,0,0|3,0,0]=4 4105 B12R1.69 Cc1ccc(c(n1)Br)OCCO 34a_100000702858_100000211926 [0,1,0,0,0,0|2,0,0]=3 4106 B12R1.69 Cc1ccc(c(n1)Br)OCCO 7a_100000702858_100000211926 [0,1,0,0,0,0|2,0,0]=3 4107 B12R1.69 Cc1ccc(c(n1)C)OCCF 34a_100011218912_100011217306 [0,1,0,0,0,0|3,0,0]=4 4108 B12R1.69 Cc1ccc(c(n1)C)OCCF 7a_100011218912_100011217306 [0,1,0,0,0,0|3,0,0]=4 4109 B12R1.69 Cc1ccc(c(n1)C)OCCO 34a_100011218912_100000211926 [0,1,0,0,0,0|2,0,0]=3 4110 B12R1.69 Cc1ccc(c(n1)C)OCCO 7a_100011218912_100000211926 [0,1,0,0,0,0|2,0,0]=3 4111 B12R1.69 Cc1ccc(c(n1)C)SCCO 62a_100000211926_100009813853 [0,1,0,0,0,0|2,1,0]=4 4112 B12R1.69 Cc1ccc(c(n1)C)SCCO 62a_100009813853_100000211926 [0,1,0,0,0,0|2,1,0]=4 4113 B12R1.69 Cc1ccc(c(n1)Cl)OCCF 34a_100000086286_100011217306 [0,1,0,0,0,0|3,0,0]=4 4114 B12R1.69 Cc1ccc(c(n1)Cl)OCCF 7a_100000086286_100011217306 [0,1,0,0,0,0|3,0,0]=4 4115 B12R1.69 Cc1ccc(c(n1)Cl)OCCO 34a_100000086286_100000211926 [0,1,0,0,0,0|2,0,0]=3 4116 B12R1.69 Cc1ccc(c(n1)Cl)OCCO 7a_100000086286_100000211926 [0,1,0,0,0,0|2,0,0]=3 4117 B12R1.69 Cc1ccc(c(n1)F)OCCF 34a_100000079963_100011217306 [0,1,0,0,0,0|3,0,0]=4 4118 B12R1.69 Cc1ccc(c(n1)F)OCCF 7a_100000079963_100011217306 [0,1,0,0,0,0|3,0,0]=4 4119 B12R1.69 Cc1ccc(c(n1)F)OCCO 34a_100000079963_100000211926 [0,1,0,0,0,0|2,0,0]=3 4120 B12R1.69 Cc1ccc(c(n1)F)OCCO 7a_100000079963_100000211926 [0,1,0,0,0,0|2,0,0]=3 4121 B12R1.69 Cc1ccc(c(n1)F)SCCO 62a_100000211926_100010006597 [0,1,0,0,0,0|2,1,0]=4 4122 B12R1.69 Cc1ccc(c(n1)F)SCCO 62a_100010006597_100000211926 [0,1,0,0,0,0|2,1,0]=4 4123 B12R1.69 Cc1ccc(c(n1)I)OCCF 34a_100000023897_100011217306 [0,1,0,0,0,0|3,0,0]=4 4124 B12R1.69 Cc1ccc(c(n1)I)OCCF 7a_100000023897_100011217306 [0,1,0,0,0,0|3,0,0]=4 4125 B12R1.69 Cc1ccc(c(n1)I)OCCO 34a_100000023897_100000211926 [0,1,0,0,0,0|2,0,0]=3 4126 B12R1.69 Cc1ccc(c(n1)I)OCCO 7a_100000023897_100000211926 [0,1,0,0,0,0|2,0,0]=3 4127 B12R1.69 Cc1ccc(c(n1)N)OCCF 34a_100000694039_100011217306 [0,1,0,0,0,0|3,0,0]=4 4128 B12R1.69 Cc1ccc(c(n1)N)OCCF 7a_100000694039_100011217306 [0,1,0,0,0,0|3,0,0]=4 4129 B12R1.69 Cc1ccc(c(n1)N)OCCO 34a_100000694039_100000211926 [0,1,0,0,0,0|2,0,0]=3 4130 B12R1.69 Cc1ccc(c(n1)N)OCCO 7a_100000694039_100000211926 [0,1,0,0,0,0|2,0,0]=3 4131 B12R1.69 Cc1ccc(c(n1)N)SCCO 62a_100000211926_100009816662 [0,1,0,0,0,0|2,1,0]=4 4132 B12R1.69 Cc1ccc(c(n1)N)SCCO 62a_100009816662_100000211926 [0,1,0,0,0,0|2,1,0]=4 4133 B12R1.69 Cc1ccc(c(n1)O)SCCO 62a_100000211926_100009817604 [0,1,0,0,0,0|2,1,0]=4 4134 B12R1.69 Cc1ccc(c(n1)O)SCCO 62a_100009817604_100000211926 [0,1,0,0,0,0|2,1,0]=4 4135 B12R1.69 Cc1cnc(c(c1)Br)OCCF 34a_100000719714_100011217306 [0,1,0,0,0,0|3,0,0]=4 4136 B12R1.69 Cc1cnc(c(c1)Br)OCCO 34a_100000719714_100000211926 [0,1,0,0,0,0|2,0,0]=3 4137 B12R1.69 Cc1cnc(c(c1)C)SCCO 62a_100000211926_100009864548 [0,1,0,0,0,0|2,1,0]=4 4138 B12R1.69 Cc1cnc(c(c1)C)SCCO 62a_100009864548_100000211926 [0,1,0,0,0,0|2,1,0]=4 4139 B12R1.69 Cc1cnc(c(c1)F)SCCO 62a_100000211926_100009819633 [0,1,0,0,0,0|2,1,0]=4 4140 B12R1.69 Cc1cnc(c(c1)F)SCCO 62a_100009819633_100000211926 [0,1,0,0,0,0|2,1,0]=4 4141 B12R1.69 Cc1cnc(c(c1)N)OCCF 34a_100012000488_100011217306 [0,1,0,0,0,0|3,0,0]=4 4142 B12R1.69 Cc1cnc(c(c1)N)OCCO 34a_100012000488_100000211926 [0,1,0,0,0,0|2,0,0]=3 4143 B12R1.69 Cc1cnc(c(c1)N)SCCO 62a_100000211926_100000733613 [0,1,0,0,0,0|2,1,0]=4 4144 B12R1.69 Cc1cnc(c(c1)N)SCCO 62a_100000733613_100000211926 [0,1,0,0,0,0|2,1,0]=4 4145 B12R1.69 Cc1cnc(c(c1)O)SCCO 62a_100000211926_100012000487 [0,1,0,0,0,0|2,1,0]=4 4146 B12R1.69 Cc1nc(ccc1OCC#N)Cl 7a_100012184626_100011215382 [0,1,0,0,0,0|2,0,1]=4 4147 B12R1.69 Cc1nc(ccc1OCC=O)Cl 34a_100012184626_200009817547 [0,1,0,0,0,0|1,0,2]=4 4148 B12R1.69 Cc1nc(ccc1OCC=O)Cl 7a_100012184626_200015260668 [0,1,0,0,0,0|1,0,2]=4 4149 B12R1.69 Cc1nc(ccc1OCCF)Br 34a_100012002022_100011217306 [0,1,0,0,0,0|2,1,0]=4 4150 B12R1.69 Cc1nc(ccc1OCCF)Br 7a_100012002022_100011217306 [0,1,0,0,0,0|2,1,0]=4 4151 B12R1.69 Cc1nc(ccc1OCCF)Cl 34a_100012184626_100011217306 [0,1,0,0,0,0|2,0,0]=3 4152 B12R1.69 Cc1nc(ccc1OCCF)Cl 7a_100012184626_100011217306 [0,1,0,0,0,0|2,0,0]=3 4153 B12R1.69 Cc1nc(ccc1OCCF)F 34a_100009881036_100011217306 [0,1,0,0,0,0|2,1,0]=4 4154 B12R1.69 Cc1nc(ccc1OCCF)F 7a_100009881036_100011217306 [0,1,0,0,0,0|2,1,0]=4 4155 B12R1.69 Cc1nc(ccc1OCCF)I 34a_100010233687_100011217306 [0,1,0,0,0,0|2,1,0]=4 4156 B12R1.69 Cc1nc(ccc1OCCF)I 7a_100010233687_100011217306 [0,1,0,0,0,0|2,1,0]=4 4157 B12R1.69 Cc1nc(ccc1OCCO)Br 34a_100012002022_100000211926 [0,1,0,0,0,0|1,1,0]=3 4158 B12R1.69 Cc1nc(ccc1OCCO)Br 7a_100012002022_100000211926 [0,1,0,0,0,0|1,1,0]=3 4159 B12R1.69 Cc1nc(ccc1OCCO)Cl 34a_100012184626_100000211926 [0,1,0,0,0,0|1,0,0]=2 4160 B12R1.69 Cc1nc(ccc1OCCO)Cl 7a_100012184626_100000211926 [0,1,0,0,0,0|1,0,0]=2 4161 B12R1.69 Cc1nc(ccc1OCCO)F 34a_100009881036_100000211926 [0,1,0,0,0,0|1,1,0]=3 4162 B12R1.69 Cc1nc(ccc1OCCO)F 7a_100009881036_100000211926 [0,1,0,0,0,0|1,1,0]=3 4163 B12R1.69 Cc1nc(ccc1OCCO)I 34a_100010233687_100000211926 [0,1,0,0,0,0|1,1,0]=3 4164 B12R1.69 Cc1nc(ccc1OCCO)I 7a_100010233687_100000211926 [0,1,0,0,0,0|1,1,0]=3 4165 B12R1.69 Cc1nc(ccc1SCCF)Cl 62a_100000062408_100011217306 [0,1,0,0,0,0|2,1,0]=4 4166 B12R1.69 Cc1nc(ccc1SCCF)Cl 62a_100011217306_100000062408 [0,1,0,0,0,0|2,1,0]=4 4167 B12R1.69 Cc1nc(ccc1SCCO)Cl 62a_100000062408_100000211926 [0,1,0,0,0,0|1,1,0]=3 4168 B12R1.69 Cc1nc(ccc1SCCO)Cl 62a_100000211926_100000062408 [0,1,0,0,0,0|1,1,0]=3 4169 B12R1.69 Cc1nc(ccc1SCCO)F 62a_100000211926_100000688911 [0,1,0,0,0,0|1,2,0]=4 4170 B12R1.69 Cc1nc(ccc1SCCO)F 62a_100000688911_100000211926 [0,1,0,0,0,0|1,2,0]=4 4171 B12R1.69 Cc1nc(ccc1SCCO)N 62a_100000187202_100000211926 [0,1,0,0,0,0|2,1,0]=4 4172 B12R1.69 Cc1nc(ccc1SCCO)N 62a_100000211926_100000187202 [0,1,0,0,0,0|2,1,0]=4 4173 B12R1.69 Cc1nc(ccc1SCCO)O 62a_100000211926_100000691680 [0,1,0,0,0,0|2,1,0]=4 4174 B12R1.69 Cc1nc(ccc1SCCO)O 62a_100000691680_100000211926 [0,1,0,0,0,0|2,1,0]=4 4175 B12R1.69 Cc1ncc(c(n1)C)OCCO 34a_100009864123_100000211926 [0,1,0,0,0,0|3,0,0]=4 4176 B12R1.69 Cc1ncc(c(n1)C)OCCO 7a_100009864123_100000211926 [0,1,0,0,0,0|3,0,0]=4 4177 B12R1.69 FCCNc1ccc(cc1Br)Br 34a_100000211012_100011217306 [0,1,0,0,0,0|2,1,0]=4 4178 B12R1.69 FCCNc1ccc(cc1Br)Cl 34a_100000752454_100011217306 [0,1,0,0,0,0|2,0,0]=3 4179 B12R1.69 FCCNc1ccc(cc1Br)F 34a_100000738039_100011217306 [0,1,0,0,0,0|2,1,0]=4 4180 B12R1.69 FCCNc1ccc(cc1Cl)Br 34a_100000211467_100011217306 [0,1,0,0,0,0|2,1,0]=4 4181 B12R1.69 FCCNc1ccc(cc1Cl)Cl 34a_100000185861_100011217306 [0,1,0,0,0,0|2,0,0]=3 4182 B12R1.69 FCCNc1ccc(cc1Cl)F 34a_100000212003_100011217306 [0,1,0,0,0,0|2,1,0]=4 4183 B12R1.69 FCCNc1ccc(cc1Cl)I 34a_100011218065_100011217306 [0,1,0,0,0,0|2,1,0]=4 4184 B12R1.69 FCCNc1ccc(cc1F)Br 34a_100000210722_100011217306 [0,1,0,0,0,0|2,1,0]=4 4185 B12R1.69 FCCNc1ccc(cc1F)Cl 34a_100000211020_100011217306 [0,1,0,0,0,0|2,0,0]=3 4186 B12R1.69 FCCNc1ccc(cc1F)F 34a_100000210720_100011217306 [0,1,0,0,0,0|2,1,0]=4 4187 B12R1.69 FCCNc1ccc(cc1F)I 34a_100011215594_100011217306 [0,1,0,0,0,0|2,1,0]=4 4188 B12R1.69 FCCNc1ccc(cc1I)Br 34a_100000187925_100011217306 [0,1,0,0,0,0|2,1,0]=4 4189 B12R1.69 FCCNc1ccc(cc1I)Cl 34a_100000761889_100011217306 [0,1,0,0,0,0|2,0,0]=3 4190 B12R1.69 FCCNc1ccc(cc1I)F 34a_100000760547_100011217306 [0,1,0,0,0,0|2,1,0]=4 4191 B12R1.69 FCCOc1ccc(cc1Br)Br 34a_100000188717_100011217306 [0,1,0,0,0,0|1,1,0]=3 4192 B12R1.69 FCCOc1ccc(cc1Br)Br 7a_100000188717_100011217306 [0,1,0,0,0,0|1,1,0]=3 4193 B12R1.69 FCCOc1ccc(cc1Br)Cl 34a_100000211998_100011217306 [0,1,0,0,0,0|1,0,0]=2 4194 B12R1.69 FCCOc1ccc(cc1Br)Cl 7a_100000211998_100011217306 [0,1,0,0,0,0|1,0,0]=2 4195 B12R1.69 FCCOc1ccc(cc1Br)F 34a_100000211999_100011217306 [0,1,0,0,0,0|1,1,0]=3 4196 B12R1.69 FCCOc1ccc(cc1Br)F 7a_100000211999_100011217306 [0,1,0,0,0,0|1,1,0]=3 4197 B12R1.69 FCCOc1ccc(cc1Br)I 34a_100012361655_100011217306 [0,1,0,0,0,0|1,1,0]=3 4198 B12R1.69 FCCOc1ccc(cc1Br)I 7a_100012361655_100011217306 [0,1,0,0,0,0|1,1,0]=3 4199 B12R1.69 FCCOc1ccc(cc1Cl)Br 34a_100000186472_100011217306 [0,1,0,0,0,0|1,1,0]=3 4200 B12R1.69 FCCOc1ccc(cc1Cl)Br 7a_100000186472_100011217306 [0,1,0,0,0,0|1,1,0]=3 4201 B12R1.69 FCCOc1ccc(cc1Cl)Cl 34a_100015191787_100011217306 [0,1,0,0,0,0|1,0,0]=2 4202 B12R1.69 FCCOc1ccc(cc1Cl)Cl 7a_100015191787_100011217306 [0,1,0,0,0,0|1,0,0]=2 4203 B12R1.69 FCCOc1ccc(cc1Cl)F 34a_100000212004_100011217306 [0,1,0,0,0,0|1,1,0]=3 4204 B12R1.69 FCCOc1ccc(cc1Cl)F 7a_100000212004_100011217306 [0,1,0,0,0,0|1,1,0]=3 4205 B12R1.69 FCCOc1ccc(cc1Cl)I 34a_100012360047_100011217306 [0,1,0,0,0,0|1,1,0]=3 4206 B12R1.69 FCCOc1ccc(cc1Cl)I 7a_100012360047_100011217306 [0,1,0,0,0,0|1,1,0]=3 4207 B12R1.69 FCCOc1ccc(cc1F)Br 34a_100000185481_100011217306 [0,1,0,0,0,0|1,1,0]=3 4208 B12R1.69 FCCOc1ccc(cc1F)Br 7a_100000185481_100011217306 [0,1,0,0,0,0|1,1,0]=3 4209 B12R1.69 FCCOc1ccc(cc1F)Cl 34a_100000230166_100011217306 [0,1,0,0,0,0|1,0,0]=2 4210 B12R1.69 FCCOc1ccc(cc1F)Cl 7a_100000230166_100011217306 [0,1,0,0,0,0|1,0,0]=2 4211 B12R1.69 FCCOc1ccc(cc1F)F 34a_100000230127_100011217306 [0,1,0,0,0,0|1,1,0]=3 4212 B12R1.69 FCCOc1ccc(cc1F)F 7a_100000230127_100011217306 [0,1,0,0,0,0|1,1,0]=3 4213 B12R1.69 FCCOc1ccc(cc1F)I 34a_100011356965_100011217306 [0,1,0,0,0,0|1,1,0]=3 4214 B12R1.69 FCCOc1ccc(cc1F)I 7a_100011356965_100011217306 [0,1,0,0,0,0|1,1,0]=3 4215 B12R1.69 FCCOc1ccc(cc1I)Br 34a_100012355227_100011217306 [0,1,0,0,0,0|1,1,0]=3 4216 B12R1.69 FCCOc1ccc(cc1I)Br 7a_100012355227_100011217306 [0,1,0,0,0,0|1,1,0]=3 4217 B12R1.69 FCCOc1ccc(cc1I)Cl 34a_100011356953_100011217306 [0,1,0,0,0,0|1,0,0]=2 4218 B12R1.69 FCCOc1ccc(cc1I)Cl 7a_100011356953_100011217306 [0,1,0,0,0,0|1,0,0]=2 4219 B12R1.69 FCCOc1ccc(cc1I)F 34a_100012355409_100011217306 [0,1,0,0,0,0|1,1,0]=3 4220 B12R1.69 FCCOc1ccc(cc1I)F 7a_100012355409_100011217306 [0,1,0,0,0,0|1,1,0]=3 4221 B12R1.69 FCCOc1ccc(cc1I)I 7a_100010001573_100011217306 [0,1,0,0,0,0|1,1,0]=3 4222 B12R1.69 FCCOc1ccc(nc1Br)Br 34a_100009999766_100011217306 [0,1,0,0,0,0|2,1,0]=4 4223 B12R1.69 FCCOc1ccc(nc1Br)Br 7a_100009999766_100011217306 [0,1,0,0,0,0|2,1,0]=4 4224 B12R1.69 FCCOc1ccc(nc1Br)Cl 34a_100010219353_100011217306 [0,1,0,0,0,0|2,0,0]=3 4225 B12R1.69 FCCOc1ccc(nc1Br)Cl 7a_100010219353_100011217306 [0,1,0,0,0,0|2,0,0]=3 4226 B12R1.69 FCCOc1ccc(nc1Br)F 34a_100009887730_100011217306 [0,1,0,0,0,0|2,1,0]=4 4227 B12R1.69 FCCOc1ccc(nc1Br)F 7a_100009887730_100011217306 [0,1,0,0,0,0|2,1,0]=4 4228 B12R1.69 FCCOc1ccc(nc1Br)I 34a_100000725334_100011217306 [0,1,0,0,0,0|2,1,0]=4 4229 B12R1.69 FCCOc1ccc(nc1Br)I 7a_100000725334_100011217306 [0,1,0,0,0,0|2,1,0]=4 4230 B12R1.69 FCCOc1ccc(nc1Cl)Br 34a_100010246206_100011217306 [0,1,0,0,0,0|2,1,0]=4 4231 B12R1.69 FCCOc1ccc(nc1Cl)Br 7a_100010246206_100011217306 [0,1,0,0,0,0|2,1,0]=4 4232 B12R1.69 FCCOc1ccc(nc1Cl)Cl 34a_100000101165_100011217306 [0,1,0,0,0,0|2,0,0]=3 4233 B12R1.69 FCCOc1ccc(nc1Cl)Cl 7a_100000101165_100011217306 [0,1,0,0,0,0|2,0,0]=3 4234 B12R1.69 FCCOc1ccc(nc1Cl)I 34a_100000721234_100011217306 [0,1,0,0,0,0|2,1,0]=4 4235 B12R1.69 FCCOc1ccc(nc1Cl)I 7a_100000721234_100011217306 [0,1,0,0,0,0|2,1,0]=4 4236 B12R1.69 FCCOc1ccc(nc1F)Br 34a_100009819667_100011217306 [0,1,0,0,0,0|2,1,0]=4 4237 B12R1.69 FCCOc1ccc(nc1F)Br 7a_100009819667_100011217306 [0,1,0,0,0,0|2,1,0]=4 4238 B12R1.69 FCCOc1ccc(nc1F)Cl 34a_100009880201_100011217306 [0,1,0,0,0,0|2,0,0]=3 4239 B12R1.69 FCCOc1ccc(nc1F)Cl 7a_100009880201_100011217306 [0,1,0,0,0,0|2,0,0]=3 4240 B12R1.69 FCCOc1ccc(nc1F)F 34a_100000101184_100011217306 [0,1,0,0,0,0|2,1,0]=4 4241 B12R1.69 FCCOc1ccc(nc1F)F 7a_100000101184_100011217306 [0,1,0,0,0,0|2,1,0]=4 4242 B12R1.69 FCCOc1ccc(nc1I)Br 34a_100010253912_100011217306 [0,1,0,0,0,0|2,1,0]=4 4243 B12R1.69 FCCOc1ccc(nc1I)Br 7a_100010253912_100011217306 [0,1,0,0,0,0|2,1,0]=4 4244 B12R1.69 FCCOc1ccc(nc1I)Cl 34a_100000696390_100011217306 [0,1,0,0,0,0|2,0,0]=3 4245 B12R1.69 FCCOc1ccc(nc1I)Cl 7a_100000696390_100011217306 [0,1,0,0,0,0|2,0,0]=3 4246 B12R1.69 FCCOc1ccc(nc1I)F 34a_100010382442_100011217306 [0,1,0,0,0,0|2,1,0]=4 4247 B12R1.69 FCCOc1ccc(nc1I)F 7a_100010382442_100011217306 [0,1,0,0,0,0|2,1,0]=4 4248 B12R1.69 FCCOc1cnc(cc1Cl)Cl 34a_100009868576_100011217306 [0,1,0,0,0,0|2,0,0]=3 4249 B12R1.69 FCCOc1cnc(cc1Cl)Cl 7a_100009868576_100011217306 [0,1,0,0,0,0|2,0,0]=3 4250 B12R1.69 FCCOc1cnc(cc1F)F 34a_100009885687_100011217306 [0,1,0,0,0,0|2,1,0]=4 4251 B12R1.69 FCCOc1cnc(cc1F)F 7a_100009885687_100011217306 [0,1,0,0,0,0|2,1,0]=4 4252 B12R1.69 FCCOc1cnc(cc1I)Cl 34a_100000698892_100011217306 [0,1,0,0,0,0|2,0,0]=3 4253 B12R1.69 FCCOc1cnc(cc1I)Cl 7a_100000698892_100011217306 [0,1,0,0,0,0|2,0,0]=3 4254 B12R1.69 FCCOc1cnc(nc1Cl)Cl 34a_100010725077_100011217306 [0,1,0,0,0,0|3,0,0]=4 4255 B12R1.69 FCCOc1cnc(nc1Cl)Cl 7a_100010725077_100011217306 [0,1,0,0,0,0|3,0,0]=4 4256 B12R1.69 FCCOc1ncc(cc1Br)Br 34a_100000701035_100011217306 [0,1,0,0,0,0|2,1,0]=4 4257 B12R1.69 FCCOc1ncc(cc1Cl)Br 34a_100012339560_100011217306 [0,1,0,0,0,0|2,1,0]=4 4258 B12R1.69 FCCOc1ncc(cc1Cl)F 34a_100009847679_100011217306 [0,1,0,0,0,0|2,1,0]=4 4259 B12R1.69 FCCOc1ncc(cc1F)Cl 34a_100011998252_100011217306 [0,1,0,0,0,0|2,0,0]=3 4260 B12R1.69 FCCOc1ncc(cc1F)F 34a_100012025737_100011217306 [0,1,0,0,0,0|2,1,0]=4 4261 B12R1.69 FCCSc1ccc(cc1Br)Br 62a_100011217306_100011484698 [0,1,0,0,0,0|1,2,0]=4 4262 B12R1.69 FCCSc1ccc(cc1Br)Br 62a_100011484698_100011217306 [0,1,0,0,0,0|1,2,0]=4 4263 B12R1.69 FCCSc1ccc(cc1Br)Cl 62a_100011217306_100011219703 [0,1,0,0,0,0|1,1,0]=3 4264 B12R1.69 FCCSc1ccc(cc1Br)Cl 62a_100011219703_100011217306 [0,1,0,0,0,0|1,1,0]=3 4265 B12R1.69 FCCSc1ccc(cc1Br)F 62a_100011217111_100011217306 [0,1,0,0,0,0|1,2,0]=4 4266 B12R1.69 FCCSc1ccc(cc1Br)F 62a_100011217306_100011217111 [0,1,0,0,0,0|1,2,0]=4 4267 B12R1.69 FCCSc1ccc(cc1Cl)Br 62a_100011216062_100011217306 [0,1,0,0,0,0|1,2,0]=4 4268 B12R1.69 FCCSc1ccc(cc1Cl)Br 62a_100011217306_100011216062 [0,1,0,0,0,0|1,2,0]=4 4269 B12R1.69 FCCSc1ccc(cc1Cl)Cl 62a_100000699841_100011217306 [0,1,0,0,0,0|1,1,0]=3 4270 B12R1.69 FCCSc1ccc(cc1Cl)Cl 62a_100011217306_100000699841 [0,1,0,0,0,0|1,1,0]=3 4271 B12R1.69 FCCSc1ccc(cc1Cl)F 62a_100000733362_100011217306 [0,1,0,0,0,0|1,2,0]=4 4272 B12R1.69 FCCSc1ccc(cc1Cl)F 62a_100011217306_100000733362 [0,1,0,0,0,0|1,2,0]=4 4273 B12R1.69 FCCSc1ccc(cc1F)Br 62a_100009814013_100011217306 [0,1,0,0,0,0|1,2,0]=4 4274 B12R1.69 FCCSc1ccc(cc1F)Br 62a_100011217306_100009814013 [0,1,0,0,0,0|1,2,0]=4 4275 B12R1.69 FCCSc1ccc(cc1F)Cl 62a_100011216042_100011217306 [0,1,0,0,0,0|1,1,0]=3 4276 B12R1.69 FCCSc1ccc(cc1F)Cl 62a_100011217306_100011216042 [0,1,0,0,0,0|1,1,0]=3 4277 B12R1.69 FCCSc1ccc(cc1F)F 62a_100000750030_100011217306 [0,1,0,0,0,0|1,2,0]=4 4278 B12R1.69 FCCSc1ccc(cc1F)F 62a_100011217306_100000750030 [0,1,0,0,0,0|1,2,0]=4 4279 B12R1.69 FCCSc1ccc(nc1Cl)Cl 62a_100011217306_100000043682 [0,1,0,0,0,0|2,1,0]=4 4280 B12R1.69 FCCSc1ccc(nc1F)Cl 62a_100010168078_100011217306 [0,1,0,0,0,0|2,1,0]=4 4281 B12R1.69 FCCSc1ccc(nc1F)Cl 62a_100011217306_100010168078 [0,1,0,0,0,0|2,1,0]=4 4282 B12R1.69 FCCSc1cnc(cc1Cl)Cl 62a_100010200927_100011217306 [0,1,0,0,0,0|2,1,0]=4 4283 B12R1.69 FCCSc1cnc(cc1Cl)Cl 62a_100011217306_100010200927 [0,1,0,0,0,0|2,1,0]=4 4284 B12R1.69 FCCSc1cnc(cc1F)Cl 62a_100010128100_100011217306 [0,1,0,0,0,0|2,1,0]=4 4285 B12R1.69 FCCSc1cnc(cc1F)Cl 62a_100011217306_100010128100 [0,1,0,0,0,0|2,1,0]=4 4286 B12R1.69 FCCSc1ncc(cc1Br)Cl 62a_100011217306_100012154958 [0,1,0,0,0,0|2,1,0]=4 4287 B12R1.69 FCCSc1ncc(cc1Br)Cl 62a_100012154958_100011217306 [0,1,0,0,0,0|2,1,0]=4 4288 B12R1.69 FCCSc1ncc(cc1F)Cl 62a_100011217306_100012348686 [0,1,0,0,0,0|2,1,0]=4 4289 B12R1.69 FCCSc1ncc(cc1F)Cl 62a_100012348686_100011217306 [0,1,0,0,0,0|2,1,0]=4 4290 B12R1.69 FCNCc1ccc(cc1Br)Cl 34a_100102692131_100015361967 [0,1,0,0,0,0|3,0,0]=4 4291 B12R1.69 FCNCc1ccc(cc1Cl)Cl 34a_100000174880_100015361967 [0,1,0,0,0,0|3,0,0]=4 4292 B12R1.69 FCNCc1ccc(cc1F)Cl 34a_100000708496_100015361967 [0,1,0,0,0,0|3,0,0]=4 4293 B12R1.69 FCOCc1ccc(cc1Br)Cl 34a_100000707881_100015361967 [0,1,0,0,0,0|3,0,0]=4 4294 B12R1.69 FCOCc1ccc(cc1Br)Cl 7a_100000707881_100015361967 [0,1,0,0,0,0|3,0,0]=4 4295 B12R1.69 FCOCc1ccc(cc1Cl)Cl 34a_100000215721_100015361967 [0,1,0,0,0,0|3,0,0]=4 4296 B12R1.69 FCOCc1ccc(cc1Cl)Cl 7a_100000215721_100015361967 [0,1,0,0,0,0|3,0,0]=4 4297 B12R1.69 FCOCc1ccc(cc1F)Cl 34a_100011217562_100015361967 [0,1,0,0,0,0|3,0,0]=4 4298 B12R1.69 FCOCc1ccc(cc1F)Cl 7a_100011217562_100015361967 [0,1,0,0,0,0|3,0,0]=4 4299 B12R1.69 FCOCc1ccc(cc1I)Cl 34a_100000722340_100015361967 [0,1,0,0,0,0|3,0,0]=4 4300 B12R1.69 FCOCc1ccc(cc1I)Cl 7a_100000722340_100015361967 [0,1,0,0,0,0|3,0,0]=4 4301 B12R1.69 FCSCc1ccc(cc1Br)Cl 62a_100000755608_100015361967 [0,1,0,0,0,0|3,0,0]=4 4302 B12R1.69 FCSCc1ccc(cc1Br)Cl 62a_100015361967_100000755608 [0,1,0,0,0,0|3,0,0]=4 4303 B12R1.69 FCSCc1ccc(cc1Cl)Cl 62a_100000188473_100015361967 [0,1,0,0,0,0|3,0,0]=4 4304 B12R1.69 FCSCc1ccc(cc1Cl)Cl 62a_100015361967_100000188473 [0,1,0,0,0,0|3,0,0]=4 4305 B12R1.69 FCSCc1ccc(cc1F)Cl 62a_100000709361_100015361967 [0,1,0,0,0,0|3,0,0]=4 4306 B12R1.69 FCSCc1ccc(cc1F)Cl 62a_100015361967_100000709361 [0,1,0,0,0,0|3,0,0]=4 4307 B12R1.69 FCSCc1ccc(cc1I)Cl 62a_100010254388_100015361967 [0,1,0,0,0,0|3,0,0]=4 4308 B12R1.69 FCSCc1ccc(cc1I)Cl 62a_100015361967_100010254388 [0,1,0,0,0,0|3,0,0]=4 4309 B12R1.69 N#CCOc1ccc(cc1Br)Br 7a_100000188717_100011215382 [0,1,0,0,0,0|1,1,1]=4 4310 B12R1.69 N#CCOc1ccc(cc1Br)Cl 7a_100000211998_100011215382 [0,1,0,0,0,0|1,0,1]=3 4311 B12R1.69 N#CCOc1ccc(cc1Br)F 7a_100000211999_100011215382 [0,1,0,0,0,0|1,1,1]=4 4312 B12R1.69 N#CCOc1ccc(cc1Br)I 7a_100012361655_100011215382 [0,1,0,0,0,0|1,1,1]=4 4313 B12R1.69 N#CCOc1ccc(cc1Br)N 7a_100011534360_100011215382 [0,1,0,0,0,0|2,0,1]=4 4314 B12R1.69 N#CCOc1ccc(cc1Cl)Br 7a_100000186472_100011215382 [0,1,0,0,0,0|1,1,1]=4 4315 B12R1.69 N#CCOc1ccc(cc1Cl)Cl 7a_100015191787_100011215382 [0,1,0,0,0,0|1,0,1]=3 4316 B12R1.69 N#CCOc1ccc(cc1Cl)F 7a_100000212004_100011215382 [0,1,0,0,0,0|1,1,1]=4 4317 B12R1.69 N#CCOc1ccc(cc1Cl)I 7a_100012360047_100011215382 [0,1,0,0,0,0|1,1,1]=4 4318 B12R1.69 N#CCOc1ccc(cc1Cl)N 7a_100000744943_100011215382 [0,1,0,0,0,0|2,0,1]=4 4319 B12R1.69 N#CCOc1ccc(cc1F)Br 7a_100000185481_100011215382 [0,1,0,0,0,0|1,1,1]=4 4320 B12R1.69 N#CCOc1ccc(cc1F)Cl 7a_100000230166_100011215382 [0,1,0,0,0,0|1,0,1]=3 4321 B12R1.69 N#CCOc1ccc(cc1F)F 7a_100000230127_100011215382 [0,1,0,0,0,0|1,1,1]=4 4322 B12R1.69 N#CCOc1ccc(cc1F)I 7a_100011356965_100011215382 [0,1,0,0,0,0|1,1,1]=4 4323 B12R1.69 N#CCOc1ccc(cc1F)N 7a_100011220035_100011215382 [0,1,0,0,0,0|2,0,1]=4 4324 B12R1.69 N#CCOc1ccc(cc1I)Br 7a_100012355227_100011215382 [0,1,0,0,0,0|1,1,1]=4 4325 B12R1.69 N#CCOc1ccc(cc1I)Cl 7a_100011356953_100011215382 [0,1,0,0,0,0|1,0,1]=3 4326 B12R1.69 N#CCOc1ccc(cc1I)F 7a_100012355409_100011215382 [0,1,0,0,0,0|1,1,1]=4 4327 B12R1.69 N#CCOc1ccc(cc1I)I 7a_100010001573_100011215382 [0,1,0,0,0,0|1,1,1]=4 4328 B12R1.69 N#CCOc1ccc(cc1N)Br 7a_100000752626_100011215382 [0,1,0,0,0,0|1,1,1]=4 4329 B12R1.69 N#CCOc1ccc(cc1N)Cl 7a_100000210500_100011215382 [0,1,0,0,0,0|1,0,1]=3 4330 B12R1.69 N#CCOc1ccc(cc1N)F 7a_100000759472_100011215382 [0,1,0,0,0,0|1,1,1]=4 4331 B12R1.69 N#CCOc1ccc(cc1N)I 7a_100000753495_100011215382 [0,1,0,0,0,0|1,1,1]=4 4332 B12R1.69 N#CCOc1ccc(nc1Br)Cl 7a_100010219353_100011215382 [0,1,0,0,0,0|2,0,1]=4 4333 B12R1.69 N#CCOc1ccc(nc1Cl)Cl 7a_100000101165_100011215382 [0,1,0,0,0,0|2,0,1]=4 4334 B12R1.69 N#CCOc1ccc(nc1F)Cl 7a_100009880201_100011215382 [0,1,0,0,0,0|2,0,1]=4 4335 B12R1.69 N#CCOc1ccc(nc1I)Cl 7a_100000696390_100011215382 [0,1,0,0,0,0|2,0,1]=4 4336 B12R1.69 N#CCOc1ccc(nc1N)Cl 7a_100000717809_100011215382 [0,1,0,0,0,0|2,0,1]=4 4337 B12R1.69 N#CCOc1cnc(cc1Cl)Cl 7a_100009868576_100011215382 [0,1,0,0,0,0|2,0,1]=4 4338 B12R1.69 N#CCOc1cnc(cc1I)Cl 7a_100000698892_100011215382 [0,1,0,0,0,0|2,0,1]=4 4339 B12R1.69 N#CCSc1ccc(cc1Br)Cl 62a_100011215382_100011219703 [0,1,0,0,0,0|1,1,1]=4 4340 B12R1.69 N#CCSc1ccc(cc1Br)Cl 62a_100011219703_100011215382 [0,1,0,0,0,0|1,1,1]=4 4341 B12R1.69 N#CCSc1ccc(cc1Cl)Cl 62a_100000699841_100011215382 [0,1,0,0,0,0|1,1,1]=4 4342 B12R1.69 N#CCSc1ccc(cc1Cl)Cl 62a_100011215382_100000699841 [0,1,0,0,0,0|1,1,1]=4 4343 B12R1.69 N#CCSc1ccc(cc1F)Cl 62a_100011215382_100011216042 [0,1,0,0,0,0|1,1,1]=4 4344 B12R1.69 N#CCSc1ccc(cc1F)Cl 62a_100011216042_100011215382 [0,1,0,0,0,0|1,1,1]=4 4345 B12R1.69 N#CCSc1ccc(cc1N)Cl 62a_100000761886_100011215382 [0,1,0,0,0,0|1,1,1]=4 4346 B12R1.69 N#CCSc1ccc(cc1N)Cl 62a_100011215382_100000761886 [0,1,0,0,0,0|1,1,1]=4 4347 B12R1.69 N#CCSc1ccc(cc1O)Cl 62a_100000050036_100011215382 [0,1,0,0,0,0|1,1,1]=4 4348 B12R1.69 N#CCSc1ccc(cc1O)Cl 62a_100011215382_100000050036 [0,1,0,0,0,0|1,1,1]=4 4349 B12R1.69 Nc1[nH]c(=O)ccc1SCCO 62a_100009884077_100000211926 [0,1,0,0,0,0|2,1,0]=4 4350 B12R1.69 Nc1cc(c(cn1)SCCO)Br 62a_100000211926_100010074611 [0,1,0,0,0,0|2,1,0]=4 4351 B12R1.69 Nc1cc(c(cn1)SCCO)Br 62a_100010074611_100000211926 [0,1,0,0,0,0|2,1,0]=4 4352 B12R1.69 Nc1cc(c(cn1)SCCO)Cl 62a_100000211926_100000694920 [0,1,0,0,0,0|2,1,0]=4 4353 B12R1.69 Nc1cc(c(cn1)SCCO)Cl 62a_100000694920_100000211926 [0,1,0,0,0,0|2,1,0]=4 4354 B12R1.69 Nc1cc(c(cn1)SCCO)F 62a_100000211926_100009844730 [0,1,0,0,0,0|2,1,0]=4 4355 B12R1.69 Nc1cc(c(cn1)SCCO)F 62a_100009844730_100000211926 [0,1,0,0,0,0|2,1,0]=4 4356 B12R1.69 Nc1cc(c(cn1)SCCO)N 62a_100000211926_200009857908 [0,1,0,0,0,0|2,1,0]=4 4357 B12R1.69 Nc1cc(c(cn1)SCCO)N 62a_200009857908_100000211926 [0,1,0,0,0,0|2,1,0]=4 4358 B12R1.69 Nc1cc(ccc1COCF)Cl 34a_100000238622_100015361967 [0,1,0,0,0,0|3,0,0]=4 4359 B12R1.69 Nc1cc(ccc1COCF)Cl 7a_100000238622_100015361967 [0,1,0,0,0,0|3,0,0]=4 4360 B12R1.69 Nc1cc(ccc1OCC=O)Br 34a_100000752626_200009817547 [0,1,0,0,0,0|0,1,2]=4 4361 B12R1.69 Nc1cc(ccc1OCC=O)Br 7a_100000752626_200015260668 [0,1,0,0,0,0|0,1,2]=4 4362 B12R1.69 Nc1cc(ccc1OCC=O)Cl 34a_100000210500_200009817547 [0,1,0,0,0,0|0,0,2]=3 4363 B12R1.69 Nc1cc(ccc1OCC=O)Cl 7a_100000210500_200015260668 [0,1,0,0,0,0|0,0,2]=3 4364 B12R1.69 Nc1cc(ccc1OCC=O)F 34a_100000759472_200009817547 [0,1,0,0,0,0|0,1,2]=4 4365 B12R1.69 Nc1cc(ccc1OCC=O)F 7a_100000759472_200015260668 [0,1,0,0,0,0|0,1,2]=4 4366 B12R1.69 Nc1cc(ccc1OCC=O)I 34a_100000753495_200009817547 [0,1,0,0,0,0|0,1,2]=4 4367 B12R1.69 Nc1cc(ccc1OCC=O)I 7a_100000753495_200015260668 [0,1,0,0,0,0|0,1,2]=4 4368 B12R1.69 Nc1cc(ccc1OCCF)Br 34a_100000752626_100011217306 [0,1,0,0,0,0|1,1,0]=3 4369 B12R1.69 Nc1cc(ccc1OCCF)Br 7a_100000752626_100011217306 [0,1,0,0,0,0|1,1,0]=3 4370 B12R1.69 Nc1cc(ccc1OCCF)Cl 34a_100000210500_100011217306 [0,1,0,0,0,0|1,0,0]=2 4371 B12R1.69 Nc1cc(ccc1OCCF)Cl 7a_100000210500_100011217306 [0,1,0,0,0,0|1,0,0]=2 4372 B12R1.69 Nc1cc(ccc1OCCF)F 34a_100000759472_100011217306 [0,1,0,0,0,0|1,1,0]=3 4373 B12R1.69 Nc1cc(ccc1OCCF)F 7a_100000759472_100011217306 [0,1,0,0,0,0|1,1,0]=3 4374 B12R1.69 Nc1cc(ccc1OCCF)I 34a_100000753495_100011217306 [0,1,0,0,0,0|1,1,0]=3 4375 B12R1.69 Nc1cc(ccc1OCCF)I 7a_100000753495_100011217306 [0,1,0,0,0,0|1,1,0]=3 4376 B12R1.69 Nc1cc(ccc1OCCO)Br 34a_100000752626_100000211926 [0,1,0,0,0,0|0,1,0]=2 4377 B12R1.69 Nc1cc(ccc1OCCO)Br 7a_100000752626_100000211926 [0,1,0,0,0,0|0,1,0]=2 4378 B12R1.69 Nc1cc(ccc1OCCO)Cl 34a_100000210500_100000211926 [0,1,0,0,0,0|0,0,0]=1 4379 B12R1.69 Nc1cc(ccc1OCCO)Cl 7a_100000210500_100000211926 [0,1,0,0,0,0|0,0,0]=1 4380 B12R1.69 Nc1cc(ccc1OCCO)F 34a_100000759472_100000211926 [0,1,0,0,0,0|0,1,0]=2 4381 B12R1.69 Nc1cc(ccc1OCCO)F 7a_100000759472_100000211926 [0,1,0,0,0,0|0,1,0]=2 4382 B12R1.69 Nc1cc(ccc1OCCO)I 34a_100000753495_100000211926 [0,1,0,0,0,0|0,1,0]=2 4383 B12R1.69 Nc1cc(ccc1OCCO)I 7a_100000753495_100000211926 [0,1,0,0,0,0|0,1,0]=2 4384 B12R1.69 Nc1cc(ccc1SCC=O)Cl 62a_100000761886_200015260668 [0,1,0,0,0,0|0,1,2]=4 4385 B12R1.69 Nc1cc(ccc1SCC=O)Cl 62a_200015260668_100000761886 [0,1,0,0,0,0|0,1,2]=4 4386 B12R1.69 Nc1cc(ccc1SCCF)Br 62a_100000743836_100011217306 [0,1,0,0,0,0|1,2,0]=4 4387 B12R1.69 Nc1cc(ccc1SCCF)Br 62a_100011217306_100000743836 [0,1,0,0,0,0|1,2,0]=4 4388 B12R1.69 Nc1cc(ccc1SCCF)Cl 62a_100000761886_100011217306 [0,1,0,0,0,0|1,1,0]=3 4389 B12R1.69 Nc1cc(ccc1SCCF)Cl 62a_100011217306_100000761886 [0,1,0,0,0,0|1,1,0]=3 4390 B12R1.69 Nc1cc(ccc1SCCF)F 62a_100000687223_100011217306 [0,1,0,0,0,0|1,2,0]=4 4391 B12R1.69 Nc1cc(ccc1SCCF)F 62a_100011217306_100000687223 [0,1,0,0,0,0|1,2,0]=4 4392 B12R1.69 Nc1cc(ccc1SCCF)O 62a_100011217306_100011999798 [0,1,0,0,0,0|2,1,0]=4 4393 B12R1.69 Nc1cc(ccc1SCCF)O 62a_100011999798_100011217306 [0,1,0,0,0,0|2,1,0]=4 4394 B12R1.69 Nc1cc(ccc1SCCO)Br 62a_100000211926_100000743836 [0,1,0,0,0,0|0,2,0]=3 4395 B12R1.69 Nc1cc(ccc1SCCO)Br 62a_100000743836_100000211926 [0,1,0,0,0,0|0,2,0]=3 4396 B12R1.69 Nc1cc(ccc1SCCO)Cl 62a_100000211926_100000761886 [0,1,0,0,0,0|0,1,0]=2 4397 B12R1.69 Nc1cc(ccc1SCCO)Cl 62a_100000761886_100000211926 [0,1,0,0,0,0|0,1,0]=2 4398 B12R1.69 Nc1cc(ccc1SCCO)F 62a_100000211926_100000687223 [0,1,0,0,0,0|0,2,0]=3 4399 B12R1.69 Nc1cc(ccc1SCCO)F 62a_100000687223_100000211926 [0,1,0,0,0,0|0,2,0]=3 4400 B12R1.69 Nc1cc(ccc1SCCO)O 62a_100000211926_100011999798 [0,1,0,0,0,0|1,1,0]=3 4401 B12R1.69 Nc1cc(ccc1SCCO)O 62a_100011999798_100000211926 [0,1,0,0,0,0|1,1,0]=3 4402 B12R1.69 Nc1cc(cnc1OCC=O)Cl 34a_100011998249_200009817547 [0,1,0,0,0,0|1,0,2]=4 4403 B12R1.69 Nc1cc(cnc1OCCF)Br 34a_100000743729_100011217306 [0,1,0,0,0,0|2,1,0]=4 4404 B12R1.69 Nc1cc(cnc1OCCF)Cl 34a_100011998249_100011217306 [0,1,0,0,0,0|2,0,0]=3 4405 B12R1.69 Nc1cc(cnc1OCCO)Br 34a_100000743729_100000211926 [0,1,0,0,0,0|1,1,0]=3 4406 B12R1.69 Nc1cc(cnc1OCCO)Cl 34a_100011998249_100000211926 [0,1,0,0,0,0|1,0,0]=2 4407 B12R1.69 Nc1cc(cnc1SCCO)Br 62a_100000211926_100010090555 [0,1,0,0,0,0|1,2,0]=4 4408 B12R1.69 Nc1cc(cnc1SCCO)Br 62a_100010090555_100000211926 [0,1,0,0,0,0|1,2,0]=4 4409 B12R1.69 Nc1cc(cnc1SCCO)F 62a_100000211926_100009817643 [0,1,0,0,0,0|1,2,0]=4 4410 B12R1.69 Nc1cc(cnc1SCCO)F 62a_100009817643_100000211926 [0,1,0,0,0,0|1,2,0]=4 4411 B12R1.69 Nc1cc(ncc1OCCF)Br 34a_100009819941_100011217306 [0,1,0,0,0,0|2,1,0]=4 4412 B12R1.69 Nc1cc(ncc1OCCF)Br 7a_100009819941_100011217306 [0,1,0,0,0,0|2,1,0]=4 4413 B12R1.69 Nc1cc(ncc1OCCO)Br 34a_100009819941_100000211926 [0,1,0,0,0,0|1,1,0]=3 4414 B12R1.69 Nc1cc(ncc1OCCO)Br 7a_100009819941_100000211926 [0,1,0,0,0,0|1,1,0]=3 4415 B12R1.69 Nc1cc(ncc1SCCF)Cl 62a_100010209552_100011217306 [0,1,0,0,0,0|2,1,0]=4 4416 B12R1.69 Nc1cc(ncc1SCCF)Cl 62a_100011217306_100010209552 [0,1,0,0,0,0|2,1,0]=4 4417 B12R1.69 Nc1cc(ncc1SCCO)Cl 62a_100000211926_100010209552 [0,1,0,0,0,0|1,1,0]=3 4418 B12R1.69 Nc1cc(ncc1SCCO)Cl 62a_100010209552_100000211926 [0,1,0,0,0,0|1,1,0]=3 4419 B12R1.69 Nc1ccc(c(c1)Br)OCC=O 34a_100011534360_200009817547 [0,1,0,0,0,0|1,0,2]=4 4420 B12R1.69 Nc1ccc(c(c1)Br)OCC=O 7a_100011534360_200015260668 [0,1,0,0,0,0|1,0,2]=4 4421 B12R1.69 Nc1ccc(c(c1)Br)OCCF 34a_100011534360_100011217306 [0,1,0,0,0,0|2,0,0]=3 4422 B12R1.69 Nc1ccc(c(c1)Br)OCCF 7a_100011534360_100011217306 [0,1,0,0,0,0|2,0,0]=3 4423 B12R1.69 Nc1ccc(c(c1)Br)OCCO 34a_100011534360_100000211926 [0,1,0,0,0,0|1,0,0]=2 4424 B12R1.69 Nc1ccc(c(c1)Br)OCCO 7a_100011534360_100000211926 [0,1,0,0,0,0|1,0,0]=2 4425 B12R1.69 Nc1ccc(c(c1)Br)SCCF 62a_100000750458_100011217306 [0,1,0,0,0,0|2,1,0]=4 4426 B12R1.69 Nc1ccc(c(c1)Br)SCCF 62a_100011217306_100000750458 [0,1,0,0,0,0|2,1,0]=4 4427 B12R1.69 Nc1ccc(c(c1)Br)SCCO 62a_100000211926_100000750458 [0,1,0,0,0,0|1,1,0]=3 4428 B12R1.69 Nc1ccc(c(c1)Br)SCCO 62a_100000750458_100000211926 [0,1,0,0,0,0|1,1,0]=3 4429 B12R1.69 Nc1ccc(c(c1)Cl)OCC=O 34a_100000744943_200009817547 [0,1,0,0,0,0|1,0,2]=4 4430 B12R1.69 Nc1ccc(c(c1)Cl)OCC=O 7a_100000744943_200015260668 [0,1,0,0,0,0|1,0,2]=4 4431 B12R1.69 Nc1ccc(c(c1)Cl)OCCF 34a_100000744943_100011217306 [0,1,0,0,0,0|2,0,0]=3 4432 B12R1.69 Nc1ccc(c(c1)Cl)OCCF 7a_100000744943_100011217306 [0,1,0,0,0,0|2,0,0]=3 4433 B12R1.69 Nc1ccc(c(c1)Cl)OCCO 34a_100000744943_100000211926 [0,1,0,0,0,0|1,0,0]=2 4434 B12R1.69 Nc1ccc(c(c1)Cl)OCCO 7a_100000744943_100000211926 [0,1,0,0,0,0|1,0,0]=2 4435 B12R1.69 Nc1ccc(c(c1)Cl)SCCF 62a_100000761885_100011217306 [0,1,0,0,0,0|2,1,0]=4 4436 B12R1.69 Nc1ccc(c(c1)Cl)SCCF 62a_100011217306_100000761885 [0,1,0,0,0,0|2,1,0]=4 4437 B12R1.69 Nc1ccc(c(c1)Cl)SCCO 62a_100000211926_100000761885 [0,1,0,0,0,0|1,1,0]=3 4438 B12R1.69 Nc1ccc(c(c1)Cl)SCCO 62a_100000761885_100000211926 [0,1,0,0,0,0|1,1,0]=3 4439 B12R1.69 Nc1ccc(c(c1)F)OCC=O 34a_100011220035_200009817547 [0,1,0,0,0,0|1,0,2]=4 4440 B12R1.69 Nc1ccc(c(c1)F)OCC=O 7a_100011220035_200015260668 [0,1,0,0,0,0|1,0,2]=4 4441 B12R1.69 Nc1ccc(c(c1)F)OCCF 34a_100011220035_100011217306 [0,1,0,0,0,0|2,0,0]=3 4442 B12R1.69 Nc1ccc(c(c1)F)OCCF 7a_100011220035_100011217306 [0,1,0,0,0,0|2,0,0]=3 4443 B12R1.69 Nc1ccc(c(c1)F)OCCO 34a_100011220035_100000211926 [0,1,0,0,0,0|1,0,0]=2 4444 B12R1.69 Nc1ccc(c(c1)F)OCCO 7a_100011220035_100000211926 [0,1,0,0,0,0|1,0,0]=2 4445 B12R1.69 Nc1ccc(c(c1)F)SCCF 62a_100011217306_100011356925 [0,1,0,0,0,0|2,1,0]=4 4446 B12R1.69 Nc1ccc(c(c1)F)SCCF 62a_100011356925_100011217306 [0,1,0,0,0,0|2,1,0]=4 4447 B12R1.69 Nc1ccc(c(c1)F)SCCO 62a_100000211926_100011356925 [0,1,0,0,0,0|1,1,0]=3 4448 B12R1.69 Nc1ccc(c(c1)F)SCCO 62a_100011356925_100000211926 [0,1,0,0,0,0|1,1,0]=3 4449 B12R1.69 Nc1ccc(c(c1)N)OCC=O 34a_100000725306_200009817547 [0,1,0,0,0,0|1,0,2]=4 4450 B12R1.69 Nc1ccc(c(c1)N)OCCF 34a_100000725306_100011217306 [0,1,0,0,0,0|2,0,0]=3 4451 B12R1.69 Nc1ccc(c(c1)N)OCCO 34a_100000725306_100000211926 [0,1,0,0,0,0|1,0,0]=2 4452 B12R1.69 Nc1ccc(c(c1)N)SCCF 62a_100011217306_200012175722 [0,1,0,0,0,0|2,1,0]=4 4453 B12R1.69 Nc1ccc(c(c1)N)SCCF 62a_200012175722_100011217306 [0,1,0,0,0,0|2,1,0]=4 4454 B12R1.69 Nc1ccc(c(c1)N)SCCO 62a_100000211926_200012175722 [0,1,0,0,0,0|1,1,0]=3 4455 B12R1.69 Nc1ccc(c(c1)N)SCCO 62a_200012175722_100000211926 [0,1,0,0,0,0|1,1,0]=3 4456 B12R1.69 Nc1ccc(c(n1)Br)SCCO 62a_100000211926_100010734177 [0,1,0,0,0,0|2,1,0]=4 4457 B12R1.69 Nc1ccc(c(n1)Br)SCCO 62a_100010734177_100000211926 [0,1,0,0,0,0|2,1,0]=4 4458 B12R1.69 Nc1ccc(c(n1)Cl)SCCO 62a_100000211926_100010270343 [0,1,0,0,0,0|2,1,0]=4 4459 B12R1.69 Nc1ccc(c(n1)Cl)SCCO 62a_100010270343_100000211926 [0,1,0,0,0,0|2,1,0]=4 4460 B12R1.69 Nc1ccc(c(n1)F)SCCO 62a_100000211926_100009882772 [0,1,0,0,0,0|2,1,0]=4 4461 B12R1.69 Nc1ccc(c(n1)F)SCCO 62a_100009882772_100000211926 [0,1,0,0,0,0|2,1,0]=4 4462 B12R1.69 Nc1ccc(c(n1)N)SCCO 62a_100011356871_100000211926 [0,1,0,0,0,0|2,1,0]=4 4463 B12R1.69 Nc1cnc(c(c1)F)SCCO 62a_100000211926_100010280766 [0,1,0,0,0,0|2,1,0]=4 4464 B12R1.69 Nc1cnc(c(c1)F)SCCO 62a_100010280766_100000211926 [0,1,0,0,0,0|2,1,0]=4 4465 B12R1.69 Nc1cnc(c(c1)N)SCCO 62a_100000211926_200000093520 [0,1,0,0,0,0|2,1,0]=4 4466 B12R1.69 Nc1cnc(c(c1)N)SCCO 62a_200000093520_100000211926 [0,1,0,0,0,0|2,1,0]=4 4467 B12R1.69 Nc1nc(ccc1OCC=O)Cl 34a_100000717809_200009817547 [0,1,0,0,0,0|1,0,2]=4 4468 B12R1.69 Nc1nc(ccc1OCC=O)Cl 7a_100000717809_200015260668 [0,1,0,0,0,0|1,0,2]=4 4469 B12R1.69 Nc1nc(ccc1OCCF)Br 34a_100000685527_100011217306 [0,1,0,0,0,0|2,1,0]=4 4470 B12R1.69 Nc1nc(ccc1OCCF)Br 7a_100000685527_100011217306 [0,1,0,0,0,0|2,1,0]=4 4471 B12R1.69 Nc1nc(ccc1OCCF)Cl 34a_100000717809_100011217306 [0,1,0,0,0,0|2,0,0]=3 4472 B12R1.69 Nc1nc(ccc1OCCF)Cl 7a_100000717809_100011217306 [0,1,0,0,0,0|2,0,0]=3 4473 B12R1.69 Nc1nc(ccc1OCCO)Br 34a_100000685527_100000211926 [0,1,0,0,0,0|1,1,0]=3 4474 B12R1.69 Nc1nc(ccc1OCCO)Br 7a_100000685527_100000211926 [0,1,0,0,0,0|1,1,0]=3 4475 B12R1.69 Nc1nc(ccc1OCCO)Cl 34a_100000717809_100000211926 [0,1,0,0,0,0|1,0,0]=2 4476 B12R1.69 Nc1nc(ccc1OCCO)Cl 7a_100000717809_100000211926 [0,1,0,0,0,0|1,0,0]=2 4477 B12R1.69 Nc1nc(ccc1SCCF)Cl 62a_100010171640_100011217306 [0,1,0,0,0,0|2,1,0]=4 4478 B12R1.69 Nc1nc(ccc1SCCF)Cl 62a_100011217306_100010171640 [0,1,0,0,0,0|2,1,0]=4 4479 B12R1.69 Nc1nc(ccc1SCCO)Cl 62a_100000211926_100010171640 [0,1,0,0,0,0|1,1,0]=3 4480 B12R1.69 Nc1nc(ccc1SCCO)Cl 62a_100010171640_100000211926 [0,1,0,0,0,0|1,1,0]=3 4481 B12R1.69 Nc1nc(ccc1SCCO)F 62a_100000211926_100009854977 [0,1,0,0,0,0|1,2,0]=4 4482 B12R1.69 Nc1nc(ccc1SCCO)F 62a_100009854977_100000211926 [0,1,0,0,0,0|1,2,0]=4 4483 B12R1.69 Nc1nc(ncc1SCCO)Cl 62a_100000211926_100010196077 [0,1,0,0,0,0|2,1,0]=4 4484 B12R1.69 Nc1nc(ncc1SCCO)Cl 62a_100010196077_100000211926 [0,1,0,0,0,0|2,1,0]=4 4485 B12R1.69 Nc1ncc(c(n1)N)OCCO 7a_100025726691_100000211926 [0,1,0,0,0,0|3,0,0]=4 4486 B12R1.69 O=CCNc1ccc(cc1Br)Cl 34a_100000752454_200009817547 [0,1,0,0,0,0|1,0,2]=4 4487 B12R1.69 O=CCNc1ccc(cc1Cl)Cl 34a_100000185861_200009817547 [0,1,0,0,0,0|1,0,2]=4 4488 B12R1.69 O=CCNc1ccc(cc1F)Cl 34a_100000211020_200009817547 [0,1,0,0,0,0|1,0,2]=4 4489 B12R1.69 O=CCNc1ccc(cc1I)Cl 34a_100000761889_200009817547 [0,1,0,0,0,0|1,0,2]=4 4490 B12R1.69 O=CCNc1ccc(cc1O)Cl 34a_100000185728_200009817547 [0,1,0,0,0,0|1,0,2]=4 4491 B12R1.69 O=CCOc1ccc(cc1Br)Br 34a_100000188717_200009817547 [0,1,0,0,0,0|0,1,2]=4 4492 B12R1.69 O=CCOc1ccc(cc1Br)Br 7a_100000188717_200015260668 [0,1,0,0,0,0|0,1,2]=4 4493 B12R1.69 O=CCOc1ccc(cc1Br)Cl 34a_100000211998_200009817547 [0,1,0,0,0,0|0,0,2]=3 4494 B12R1.69 O=CCOc1ccc(cc1Br)Cl 7a_100000211998_200015260668 [0,1,0,0,0,0|0,0,2]=3 4495 B12R1.69 O=CCOc1ccc(cc1Br)F 34a_100000211999_200009817547 [0,1,0,0,0,0|0,1,2]=4 4496 B12R1.69 O=CCOc1ccc(cc1Br)F 7a_100000211999_200015260668 [0,1,0,0,0,0|0,1,2]=4 4497 B12R1.69 O=CCOc1ccc(cc1Br)I 34a_100012361655_200009817547 [0,1,0,0,0,0|0,1,2]=4 4498 B12R1.69 O=CCOc1ccc(cc1Br)I 7a_100012361655_200015260668 [0,1,0,0,0,0|0,1,2]=4 4499 B12R1.69 O=CCOc1ccc(cc1Cl)Br 34a_100000186472_200009817547 [0,1,0,0,0,0|0,1,2]=4 4500 B12R1.69 O=CCOc1ccc(cc1Cl)Br 7a_100000186472_200015260668 [0,1,0,0,0,0|0,1,2]=4 4501 B12R1.69 O=CCOc1ccc(cc1Cl)Cl 34a_100015191787_200009817547 [0,1,0,0,0,0|0,0,2]=3 4502 B12R1.69 O=CCOc1ccc(cc1Cl)Cl 7a_100015191787_200015260668 [0,1,0,0,0,0|0,0,2]=3 4503 B12R1.69 O=CCOc1ccc(cc1Cl)F 34a_100000212004_200009817547 [0,1,0,0,0,0|0,1,2]=4 4504 B12R1.69 O=CCOc1ccc(cc1Cl)F 7a_100000212004_200015260668 [0,1,0,0,0,0|0,1,2]=4 4505 B12R1.69 O=CCOc1ccc(cc1Cl)I 34a_100012360047_200009817547 [0,1,0,0,0,0|0,1,2]=4 4506 B12R1.69 O=CCOc1ccc(cc1Cl)I 7a_100012360047_200015260668 [0,1,0,0,0,0|0,1,2]=4 4507 B12R1.69 O=CCOc1ccc(cc1F)Br 34a_100000185481_200009817547 [0,1,0,0,0,0|0,1,2]=4 4508 B12R1.69 O=CCOc1ccc(cc1F)Br 7a_100000185481_200015260668 [0,1,0,0,0,0|0,1,2]=4 4509 B12R1.69 O=CCOc1ccc(cc1F)Cl 34a_100000230166_200009817547 [0,1,0,0,0,0|0,0,2]=3 4510 B12R1.69 O=CCOc1ccc(cc1F)Cl 7a_100000230166_200015260668 [0,1,0,0,0,0|0,0,2]=3 4511 B12R1.69 O=CCOc1ccc(cc1F)F 34a_100000230127_200009817547 [0,1,0,0,0,0|0,1,2]=4 4512 B12R1.69 O=CCOc1ccc(cc1F)F 7a_100000230127_200015260668 [0,1,0,0,0,0|0,1,2]=4 4513 B12R1.69 O=CCOc1ccc(cc1F)I 34a_100011356965_200009817547 [0,1,0,0,0,0|0,1,2]=4 4514 B12R1.69 O=CCOc1ccc(cc1F)I 7a_100011356965_200015260668 [0,1,0,0,0,0|0,1,2]=4 4515 B12R1.69 O=CCOc1ccc(cc1I)Br 34a_100012355227_200009817547 [0,1,0,0,0,0|0,1,2]=4 4516 B12R1.69 O=CCOc1ccc(cc1I)Br 7a_100012355227_200015260668 [0,1,0,0,0,0|0,1,2]=4 4517 B12R1.69 O=CCOc1ccc(cc1I)Cl 34a_100011356953_200009817547 [0,1,0,0,0,0|0,0,2]=3 4518 B12R1.69 O=CCOc1ccc(cc1I)Cl 7a_100011356953_200015260668 [0,1,0,0,0,0|0,0,2]=3 4519 B12R1.69 O=CCOc1ccc(cc1I)F 34a_100012355409_200009817547 [0,1,0,0,0,0|0,1,2]=4 4520 B12R1.69 O=CCOc1ccc(cc1I)F 7a_100012355409_200015260668 [0,1,0,0,0,0|0,1,2]=4 4521 B12R1.69 O=CCOc1ccc(cc1I)I 7a_100010001573_200015260668 [0,1,0,0,0,0|0,1,2]=4 4522 B12R1.69 O=CCOc1ccc(nc1Br)Cl 34a_100010219353_200009817547 [0,1,0,0,0,0|1,0,2]=4 4523 B12R1.69 O=CCOc1ccc(nc1Br)Cl 7a_100010219353_200015260668 [0,1,0,0,0,0|1,0,2]=4 4524 B12R1.69 O=CCOc1ccc(nc1Cl)Cl 34a_100000101165_200009817547 [0,1,0,0,0,0|1,0,2]=4 4525 B12R1.69 O=CCOc1ccc(nc1Cl)Cl 7a_100000101165_200015260668 [0,1,0,0,0,0|1,0,2]=4 4526 B12R1.69 O=CCOc1ccc(nc1F)Cl 34a_100009880201_200009817547 [0,1,0,0,0,0|1,0,2]=4 4527 B12R1.69 O=CCOc1ccc(nc1F)Cl 7a_100009880201_200015260668 [0,1,0,0,0,0|1,0,2]=4 4528 B12R1.69 O=CCOc1ccc(nc1I)Cl 34a_100000696390_200009817547 [0,1,0,0,0,0|1,0,2]=4 4529 B12R1.69 O=CCOc1ccc(nc1I)Cl 7a_100000696390_200015260668 [0,1,0,0,0,0|1,0,2]=4 4530 B12R1.69 O=CCOc1cnc(cc1Cl)Cl 34a_100009868576_200009817547 [0,1,0,0,0,0|1,0,2]=4 4531 B12R1.69 O=CCOc1cnc(cc1Cl)Cl 7a_100009868576_200015260668 [0,1,0,0,0,0|1,0,2]=4 4532 B12R1.69 O=CCOc1cnc(cc1I)Cl 34a_100000698892_200009817547 [0,1,0,0,0,0|1,0,2]=4 4533 B12R1.69 O=CCOc1cnc(cc1I)Cl 7a_100000698892_200015260668 [0,1,0,0,0,0|1,0,2]=4 4534 B12R1.69 O=CCOc1ncc(cc1F)Cl 34a_100011998252_200009817547 [0,1,0,0,0,0|1,0,2]=4 4535 B12R1.69 O=CCSc1ccc(cc1Br)Cl 62a_100011219703_200015260668 [0,1,0,0,0,0|0,1,2]=4 4536 B12R1.69 O=CCSc1ccc(cc1Br)Cl 62a_200015260668_100011219703 [0,1,0,0,0,0|0,1,2]=4 4537 B12R1.69 O=CCSc1ccc(cc1Cl)Cl 62a_100000699841_200015260668 [0,1,0,0,0,0|0,1,2]=4 4538 B12R1.69 O=CCSc1ccc(cc1Cl)Cl 62a_200015260668_100000699841 [0,1,0,0,0,0|0,1,2]=4 4539 B12R1.69 O=CCSc1ccc(cc1F)Cl 62a_100011216042_200015260668 [0,1,0,0,0,0|0,1,2]=4 4540 B12R1.69 O=CCSc1ccc(cc1F)Cl 62a_200015260668_100011216042 [0,1,0,0,0,0|0,1,2]=4 4541 B12R1.69 O=CCSc1ccc(cc1O)Cl 62a_100000050036_200015260668 [0,1,0,0,0,0|0,1,2]=4 4542 B12R1.69 O=CCSc1ccc(cc1O)Cl 62a_200015260668_100000050036 [0,1,0,0,0,0|0,1,2]=4 4543 B12R1.69 O=c1cc(c(c[nH]1)SCCO)F 62a_100000211926_100015631685 [0,1,0,0,0,0|2,1,0]=4 4544 B12R1.69 O=c1cc(c(c[nH]1)SCCO)F 62a_100015631685_100000211926 [0,1,0,0,0,0|2,1,0]=4 4545 B12R1.69 OCCNc1ccc(cc1Br)Br 34a_100000211012_100000211926 [0,1,0,0,0,0|1,1,0]=3 4546 B12R1.69 OCCNc1ccc(cc1Br)Cl 34a_100000752454_100000211926 [0,1,0,0,0,0|1,0,0]=2 4547 B12R1.69 OCCNc1ccc(cc1Br)F 34a_100000738039_100000211926 [0,1,0,0,0,0|1,1,0]=3 4548 B12R1.69 OCCNc1ccc(cc1Br)O 34a_100012001276_100000211926 [0,1,0,0,0,0|2,0,0]=3 4549 B12R1.69 OCCNc1ccc(cc1Cl)Br 34a_100000211467_100000211926 [0,1,0,0,0,0|1,1,0]=3 4550 B12R1.69 OCCNc1ccc(cc1Cl)Cl 34a_100000185861_100000211926 [0,1,0,0,0,0|1,0,0]=2 4551 B12R1.69 OCCNc1ccc(cc1Cl)F 34a_100000212003_100000211926 [0,1,0,0,0,0|1,1,0]=3 4552 B12R1.69 OCCNc1ccc(cc1Cl)I 34a_100011218065_100000211926 [0,1,0,0,0,0|1,1,0]=3 4553 B12R1.69 OCCNc1ccc(cc1Cl)O 34a_100011215599_100000211926 [0,1,0,0,0,0|2,0,0]=3 4554 B12R1.69 OCCNc1ccc(cc1F)Br 34a_100000210722_100000211926 [0,1,0,0,0,0|1,1,0]=3 4555 B12R1.69 OCCNc1ccc(cc1F)Cl 34a_100000211020_100000211926 [0,1,0,0,0,0|1,0,0]=2 4556 B12R1.69 OCCNc1ccc(cc1F)F 34a_100000210720_100000211926 [0,1,0,0,0,0|1,1,0]=3 4557 B12R1.69 OCCNc1ccc(cc1F)I 34a_100011215594_100000211926 [0,1,0,0,0,0|1,1,0]=3 4558 B12R1.69 OCCNc1ccc(cc1F)O 34a_100000759473_100000211926 [0,1,0,0,0,0|2,0,0]=3 4559 B12R1.69 OCCNc1ccc(cc1I)Br 34a_100000187925_100000211926 [0,1,0,0,0,0|1,1,0]=3 4560 B12R1.69 OCCNc1ccc(cc1I)Cl 34a_100000761889_100000211926 [0,1,0,0,0,0|1,0,0]=2 4561 B12R1.69 OCCNc1ccc(cc1I)F 34a_100000760547_100000211926 [0,1,0,0,0,0|1,1,0]=3 4562 B12R1.69 OCCNc1ccc(cc1I)O 34a_100010084370_100000211926 [0,1,0,0,0,0|2,0,0]=3 4563 B12R1.69 OCCNc1ccc(cc1O)Br 34a_100000739049_100000211926 [0,1,0,0,0,0|1,1,0]=3 4564 B12R1.69 OCCNc1ccc(cc1O)Cl 34a_100000185728_100000211926 [0,1,0,0,0,0|1,0,0]=2 4565 B12R1.69 OCCNc1ccc(cc1O)F 34a_100000753323_100000211926 [0,1,0,0,0,0|1,1,0]=3 4566 B12R1.69 OCCNc1ccc(cc1O)O 34a_100000106777_100000211926 [0,1,0,0,0,0|2,0,0]=3 4567 B12R1.69 OCCOc1ccc(cc1Br)Br 34a_100000188717_100000211926 [0,1,0,0,0,0|0,1,0]=2 4568 B12R1.69 OCCOc1ccc(cc1Br)Br 7a_100000188717_100000211926 [0,1,0,0,0,0|0,1,0]=2 4569 B12R1.69 OCCOc1ccc(cc1Br)Cl 34a_100000211998_100000211926 [0,1,0,0,0,0|0,0,0]=1 4570 B12R1.69 OCCOc1ccc(cc1Br)Cl 7a_100000211998_100000211926 [0,1,0,0,0,0|0,0,0]=1 4571 B12R1.69 OCCOc1ccc(cc1Br)F 34a_100000211999_100000211926 [0,1,0,0,0,0|0,1,0]=2 4572 B12R1.69 OCCOc1ccc(cc1Br)F 7a_100000211999_100000211926 [0,1,0,0,0,0|0,1,0]=2 4573 B12R1.69 OCCOc1ccc(cc1Br)I 34a_100012361655_100000211926 [0,1,0,0,0,0|0,1,0]=2 4574 B12R1.69 OCCOc1ccc(cc1Br)I 7a_100012361655_100000211926 [0,1,0,0,0,0|0,1,0]=2 4575 B12R1.69 OCCOc1ccc(cc1Cl)Br 34a_100000186472_100000211926 [0,1,0,0,0,0|0,1,0]=2 4576 B12R1.69 OCCOc1ccc(cc1Cl)Br 7a_100000186472_100000211926 [0,1,0,0,0,0|0,1,0]=2 4577 B12R1.69 OCCOc1ccc(cc1Cl)Cl 34a_100015191787_100000211926 [0,1,0,0,0,0|0,0,0]=1 4578 B12R1.69 OCCOc1ccc(cc1Cl)Cl 7a_100015191787_100000211926 [0,1,0,0,0,0|0,0,0]=1 4579 B12R1.69 OCCOc1ccc(cc1Cl)F 34a_100000212004_100000211926 [0,1,0,0,0,0|0,1,0]=2 4580 B12R1.69 OCCOc1ccc(cc1Cl)F 7a_100000212004_100000211926 [0,1,0,0,0,0|0,1,0]=2 4581 B12R1.69 OCCOc1ccc(cc1Cl)I 34a_100012360047_100000211926 [0,1,0,0,0,0|0,1,0]=2 4582 B12R1.69 OCCOc1ccc(cc1Cl)I 7a_100012360047_100000211926 [0,1,0,0,0,0|0,1,0]=2 4583 B12R1.69 OCCOc1ccc(cc1F)Br 34a_100000185481_100000211926 [0,1,0,0,0,0|0,1,0]=2 4584 B12R1.69 OCCOc1ccc(cc1F)Br 7a_100000185481_100000211926 [0,1,0,0,0,0|0,1,0]=2 4585 B12R1.69 OCCOc1ccc(cc1F)Cl 34a_100000230166_100000211926 [0,1,0,0,0,0|0,0,0]=1 4586 B12R1.69 OCCOc1ccc(cc1F)Cl 7a_100000230166_100000211926 [0,1,0,0,0,0|0,0,0]=1 4587 B12R1.69 OCCOc1ccc(cc1F)F 34a_100000230127_100000211926 [0,1,0,0,0,0|0,1,0]=2 4588 B12R1.69 OCCOc1ccc(cc1F)F 7a_100000230127_100000211926 [0,1,0,0,0,0|0,1,0]=2 4589 B12R1.69 OCCOc1ccc(cc1F)I 34a_100011356965_100000211926 [0,1,0,0,0,0|0,1,0]=2 4590 B12R1.69 OCCOc1ccc(cc1F)I 7a_100011356965_100000211926 [0,1,0,0,0,0|0,1,0]=2 4591 B12R1.69 OCCOc1ccc(cc1I)Br 34a_100012355227_100000211926 [0,1,0,0,0,0|0,1,0]=2 4592 B12R1.69 OCCOc1ccc(cc1I)Br 7a_100012355227_100000211926 [0,1,0,0,0,0|0,1,0]=2 4593 B12R1.69 OCCOc1ccc(cc1I)Cl 34a_100011356953_100000211926 [0,1,0,0,0,0|0,0,0]=1 4594 B12R1.69 OCCOc1ccc(cc1I)Cl 7a_100011356953_100000211926 [0,1,0,0,0,0|0,0,0]=1 4595 B12R1.69 OCCOc1ccc(cc1I)F 34a_100012355409_100000211926 [0,1,0,0,0,0|0,1,0]=2 4596 B12R1.69 OCCOc1ccc(cc1I)F 7a_100012355409_100000211926 [0,1,0,0,0,0|0,1,0]=2 4597 B12R1.69 OCCOc1ccc(cc1I)I 7a_100010001573_100000211926 [0,1,0,0,0,0|0,1,0]=2 4598 B12R1.69 OCCOc1ccc(nc1Br)Br 34a_100009999766_100000211926 [0,1,0,0,0,0|1,1,0]=3 4599 B12R1.69 OCCOc1ccc(nc1Br)Br 7a_100009999766_100000211926 [0,1,0,0,0,0|1,1,0]=3 4600 B12R1.69 OCCOc1ccc(nc1Br)Cl 34a_100010219353_100000211926 [0,1,0,0,0,0|1,0,0]=2 4601 B12R1.69 OCCOc1ccc(nc1Br)Cl 7a_100010219353_100000211926 [0,1,0,0,0,0|1,0,0]=2 4602 B12R1.69 OCCOc1ccc(nc1Br)F 34a_100009887730_100000211926 [0,1,0,0,0,0|1,1,0]=3 4603 B12R1.69 OCCOc1ccc(nc1Br)F 7a_100009887730_100000211926 [0,1,0,0,0,0|1,1,0]=3 4604 B12R1.69 OCCOc1ccc(nc1Br)I 34a_100000725334_100000211926 [0,1,0,0,0,0|1,1,0]=3 4605 B12R1.69 OCCOc1ccc(nc1Br)I 7a_100000725334_100000211926 [0,1,0,0,0,0|1,1,0]=3 4606 B12R1.69 OCCOc1ccc(nc1Cl)Br 34a_100010246206_100000211926 [0,1,0,0,0,0|1,1,0]=3 4607 B12R1.69 OCCOc1ccc(nc1Cl)Br 7a_100010246206_100000211926 [0,1,0,0,0,0|1,1,0]=3 4608 B12R1.69 OCCOc1ccc(nc1Cl)Cl 34a_100000101165_100000211926 [0,1,0,0,0,0|1,0,0]=2 4609 B12R1.69 OCCOc1ccc(nc1Cl)Cl 7a_100000101165_100000211926 [0,1,0,0,0,0|1,0,0]=2 4610 B12R1.69 OCCOc1ccc(nc1Cl)I 34a_100000721234_100000211926 [0,1,0,0,0,0|1,1,0]=3 4611 B12R1.69 OCCOc1ccc(nc1Cl)I 7a_100000721234_100000211926 [0,1,0,0,0,0|1,1,0]=3 4612 B12R1.69 OCCOc1ccc(nc1F)Br 34a_100009819667_100000211926 [0,1,0,0,0,0|1,1,0]=3 4613 B12R1.69 OCCOc1ccc(nc1F)Br 7a_100009819667_100000211926 [0,1,0,0,0,0|1,1,0]=3 4614 B12R1.69 OCCOc1ccc(nc1F)Cl 34a_100009880201_100000211926 [0,1,0,0,0,0|1,0,0]=2 4615 B12R1.69 OCCOc1ccc(nc1F)Cl 7a_100009880201_100000211926 [0,1,0,0,0,0|1,0,0]=2 4616 B12R1.69 OCCOc1ccc(nc1F)F 34a_100000101184_100000211926 [0,1,0,0,0,0|1,1,0]=3 4617 B12R1.69 OCCOc1ccc(nc1F)F 7a_100000101184_100000211926 [0,1,0,0,0,0|1,1,0]=3 4618 B12R1.69 OCCOc1ccc(nc1I)Br 34a_100010253912_100000211926 [0,1,0,0,0,0|1,1,0]=3 4619 B12R1.69 OCCOc1ccc(nc1I)Br 7a_100010253912_100000211926 [0,1,0,0,0,0|1,1,0]=3 4620 B12R1.69 OCCOc1ccc(nc1I)Cl 34a_100000696390_100000211926 [0,1,0,0,0,0|1,0,0]=2 4621 B12R1.69 OCCOc1ccc(nc1I)Cl 7a_100000696390_100000211926 [0,1,0,0,0,0|1,0,0]=2 4622 B12R1.69 OCCOc1ccc(nc1I)F 34a_100010382442_100000211926 [0,1,0,0,0,0|1,1,0]=3 4623 B12R1.69 OCCOc1ccc(nc1I)F 7a_100010382442_100000211926 [0,1,0,0,0,0|1,1,0]=3 4624 B12R1.69 OCCOc1cnc(cc1Cl)Cl 34a_100009868576_100000211926 [0,1,0,0,0,0|1,0,0]=2 4625 B12R1.69 OCCOc1cnc(cc1Cl)Cl 7a_100009868576_100000211926 [0,1,0,0,0,0|1,0,0]=2 4626 B12R1.69 OCCOc1cnc(cc1F)F 34a_100009885687_100000211926 [0,1,0,0,0,0|1,1,0]=3 4627 B12R1.69 OCCOc1cnc(cc1F)F 7a_100009885687_100000211926 [0,1,0,0,0,0|1,1,0]=3 4628 B12R1.69 OCCOc1cnc(cc1I)Cl 34a_100000698892_100000211926 [0,1,0,0,0,0|1,0,0]=2 4629 B12R1.69 OCCOc1cnc(cc1I)Cl 7a_100000698892_100000211926 [0,1,0,0,0,0|1,0,0]=2 4630 B12R1.69 OCCOc1cnc(nc1Cl)Cl 34a_100010725077_100000211926 [0,1,0,0,0,0|2,0,0]=3 4631 B12R1.69 OCCOc1cnc(nc1Cl)Cl 7a_100010725077_100000211926 [0,1,0,0,0,0|2,0,0]=3 4632 B12R1.69 OCCOc1ncc(cc1Br)Br 34a_100000701035_100000211926 [0,1,0,0,0,0|1,1,0]=3 4633 B12R1.69 OCCOc1ncc(cc1Cl)Br 34a_100012339560_100000211926 [0,1,0,0,0,0|1,1,0]=3 4634 B12R1.69 OCCOc1ncc(cc1Cl)F 34a_100009847679_100000211926 [0,1,0,0,0,0|1,1,0]=3 4635 B12R1.69 OCCOc1ncc(cc1F)Cl 34a_100011998252_100000211926 [0,1,0,0,0,0|1,0,0]=2 4636 B12R1.69 OCCOc1ncc(cc1F)F 34a_100012025737_100000211926 [0,1,0,0,0,0|1,1,0]=3 4637 B12R1.69 OCCOc1ncc(nc1Cl)Br 34a_100010734560_100000211926 [0,1,0,0,0,0|2,1,0]=4 4638 B12R1.69 OCCSc1ccc(cc1Br)Br 62a_100000211926_100011484698 [0,1,0,0,0,0|0,2,0]=3 4639 B12R1.69 OCCSc1ccc(cc1Br)Br 62a_100011484698_100000211926 [0,1,0,0,0,0|0,2,0]=3 4640 B12R1.69 OCCSc1ccc(cc1Br)Cl 62a_100000211926_100011219703 [0,1,0,0,0,0|0,1,0]=2 4641 B12R1.69 OCCSc1ccc(cc1Br)Cl 62a_100011219703_100000211926 [0,1,0,0,0,0|0,1,0]=2 4642 B12R1.69 OCCSc1ccc(cc1Br)F 62a_100000211926_100011217111 [0,1,0,0,0,0|0,2,0]=3 4643 B12R1.69 OCCSc1ccc(cc1Br)F 62a_100011217111_100000211926 [0,1,0,0,0,0|0,2,0]=3 4644 B12R1.69 OCCSc1ccc(cc1Br)O 62a_100000211926_100000701344 [0,1,0,0,0,0|1,1,0]=3 4645 B12R1.69 OCCSc1ccc(cc1Br)O 62a_100000701344_100000211926 [0,1,0,0,0,0|1,1,0]=3 4646 B12R1.69 OCCSc1ccc(cc1Cl)Br 62a_100000211926_100011216062 [0,1,0,0,0,0|0,2,0]=3 4647 B12R1.69 OCCSc1ccc(cc1Cl)Br 62a_100011216062_100000211926 [0,1,0,0,0,0|0,2,0]=3 4648 B12R1.69 OCCSc1ccc(cc1Cl)Cl 62a_100000211926_100000699841 [0,1,0,0,0,0|0,1,0]=2 4649 B12R1.69 OCCSc1ccc(cc1Cl)Cl 62a_100000699841_100000211926 [0,1,0,0,0,0|0,1,0]=2 4650 B12R1.69 OCCSc1ccc(cc1Cl)F 62a_100000211926_100000733362 [0,1,0,0,0,0|0,2,0]=3 4651 B12R1.69 OCCSc1ccc(cc1Cl)F 62a_100000733362_100000211926 [0,1,0,0,0,0|0,2,0]=3 4652 B12R1.69 OCCSc1ccc(cc1Cl)O 62a_100000047559_100000211926 [0,1,0,0,0,0|1,1,0]=3 4653 B12R1.69 OCCSc1ccc(cc1Cl)O 62a_100000211926_100000047559 [0,1,0,0,0,0|1,1,0]=3 4654 B12R1.69 OCCSc1ccc(cc1F)Br 62a_100000211926_100009814013 [0,1,0,0,0,0|0,2,0]=3 4655 B12R1.69 OCCSc1ccc(cc1F)Br 62a_100009814013_100000211926 [0,1,0,0,0,0|0,2,0]=3 4656 B12R1.69 OCCSc1ccc(cc1F)Cl 62a_100000211926_100011216042 [0,1,0,0,0,0|0,1,0]=2 4657 B12R1.69 OCCSc1ccc(cc1F)Cl 62a_100011216042_100000211926 [0,1,0,0,0,0|0,1,0]=2 4658 B12R1.69 OCCSc1ccc(cc1F)F 62a_100000211926_100000750030 [0,1,0,0,0,0|0,2,0]=3 4659 B12R1.69 OCCSc1ccc(cc1F)F 62a_100000750030_100000211926 [0,1,0,0,0,0|0,2,0]=3 4660 B12R1.69 OCCSc1ccc(cc1F)O 62a_100000211926_100000755031 [0,1,0,0,0,0|1,1,0]=3 4661 B12R1.69 OCCSc1ccc(cc1F)O 62a_100000755031_100000211926 [0,1,0,0,0,0|1,1,0]=3 4662 B12R1.69 OCCSc1ccc(cc1O)Br 62a_100000211926_100012344904 [0,1,0,0,0,0|0,2,0]=3 4663 B12R1.69 OCCSc1ccc(cc1O)Br 62a_100012344904_100000211926 [0,1,0,0,0,0|0,2,0]=3 4664 B12R1.69 OCCSc1ccc(cc1O)Cl 62a_100000050036_100000211926 [0,1,0,0,0,0|0,1,0]=2 4665 B12R1.69 OCCSc1ccc(cc1O)Cl 62a_100000211926_100000050036 [0,1,0,0,0,0|0,1,0]=2 4666 B12R1.69 OCCSc1ccc(cc1O)F 62a_100000211926_100000690578 [0,1,0,0,0,0|0,2,0]=3 4667 B12R1.69 OCCSc1ccc(cc1O)F 62a_100000690578_100000211926 [0,1,0,0,0,0|0,2,0]=3 4668 B12R1.69 OCCSc1ccc(cc1O)O 62a_100000211926_100009813921 [0,1,0,0,0,0|1,1,0]=3 4669 B12R1.69 OCCSc1ccc(nc1Cl)Br 62a_100000211926_100010246183 [0,1,0,0,0,0|1,2,0]=4 4670 B12R1.69 OCCSc1ccc(nc1Cl)Br 62a_100010246183_100000211926 [0,1,0,0,0,0|1,2,0]=4 4671 B12R1.69 OCCSc1ccc(nc1Cl)Cl 62a_100000211926_100000043682 [0,1,0,0,0,0|1,1,0]=3 4672 B12R1.69 OCCSc1ccc(nc1F)Cl 62a_100000211926_100010168078 [0,1,0,0,0,0|1,1,0]=3 4673 B12R1.69 OCCSc1ccc(nc1F)Cl 62a_100010168078_100000211926 [0,1,0,0,0,0|1,1,0]=3 4674 B12R1.69 OCCSc1ccc(nc1F)F 62a_100000070099_100000211926 [0,1,0,0,0,0|1,2,0]=4 4675 B12R1.69 OCCSc1ccc(nc1F)F 62a_100000211926_100000070099 [0,1,0,0,0,0|1,2,0]=4 4676 B12R1.69 OCCSc1ccc(nc1F)O 62a_100000211926_100009879308 [0,1,0,0,0,0|2,1,0]=4 4677 B12R1.69 OCCSc1ccc(nc1F)O 62a_100009879308_100000211926 [0,1,0,0,0,0|2,1,0]=4 4678 B12R1.69 OCCSc1cnc(cc1Br)F 62a_100000211926_100015451857 [0,1,0,0,0,0|1,2,0]=4 4679 B12R1.69 OCCSc1cnc(cc1Br)F 62a_100015451857_100000211926 [0,1,0,0,0,0|1,2,0]=4 4680 B12R1.69 OCCSc1cnc(cc1Cl)Br 62a_100000211926_100010381092 [0,1,0,0,0,0|1,2,0]=4 4681 B12R1.69 OCCSc1cnc(cc1Cl)Br 62a_100010381092_100000211926 [0,1,0,0,0,0|1,2,0]=4 4682 B12R1.69 OCCSc1cnc(cc1Cl)Cl 62a_100000211926_100010200927 [0,1,0,0,0,0|1,1,0]=3 4683 B12R1.69 OCCSc1cnc(cc1Cl)Cl 62a_100010200927_100000211926 [0,1,0,0,0,0|1,1,0]=3 4684 B12R1.69 OCCSc1cnc(cc1F)Cl 62a_100000211926_100010128100 [0,1,0,0,0,0|1,1,0]=3 4685 B12R1.69 OCCSc1cnc(cc1F)Cl 62a_100010128100_100000211926 [0,1,0,0,0,0|1,1,0]=3 4686 B12R1.69 OCCSc1cnc(nc1Cl)Cl 62a_100000211926_100000049956 [0,1,0,0,0,0|2,1,0]=4 4687 B12R1.69 OCCSc1ncc(cc1Br)Cl 62a_100000211926_100012154958 [0,1,0,0,0,0|1,1,0]=3 4688 B12R1.69 OCCSc1ncc(cc1Br)Cl 62a_100012154958_100000211926 [0,1,0,0,0,0|1,1,0]=3 4689 B12R1.69 OCCSc1ncc(cc1F)Br 62a_100000211926_100012348576 [0,1,0,0,0,0|1,2,0]=4 4690 B12R1.69 OCCSc1ncc(cc1F)Br 62a_100012348576_100000211926 [0,1,0,0,0,0|1,2,0]=4 4691 B12R1.69 OCCSc1ncc(cc1F)Cl 62a_100000211926_100012348686 [0,1,0,0,0,0|1,1,0]=3 4692 B12R1.69 OCCSc1ncc(cc1F)Cl 62a_100012348686_100000211926 [0,1,0,0,0,0|1,1,0]=3 4693 B12R1.69 OCCSc1ncc(cc1F)F 62a_100000211926_100011219543 [0,1,0,0,0,0|1,2,0]=4 4694 B12R1.69 OCCSc1ncc(cc1F)F 62a_100011219543_100000211926 [0,1,0,0,0,0|1,2,0]=4 4695 B12R1.69 OCCSc1ncc(cc1F)O 62a_100000211926_100000063512 [0,1,0,0,0,0|2,1,0]=4 4696 B12R1.69 OCCSc1ncc(cc1O)Br 62a_100000211926_100010210634 [0,1,0,0,0,0|1,2,0]=4 4697 B12R1.69 OCCSc1ncc(cc1O)Br 62a_100010210634_100000211926 [0,1,0,0,0,0|1,2,0]=4 4698 B12R1.69 OCCSc1ncc(cc1O)Cl 62a_100000211926_100010233512 [0,1,0,0,0,0|1,1,0]=3 4699 B12R1.69 OCCSc1ncc(cc1O)Cl 62a_100010233512_100000211926 [0,1,0,0,0,0|1,1,0]=3 4700 B12R1.69 OCCSc1ncc(cc1O)F 62a_100000211926_100000079967 [0,1,0,0,0,0|1,2,0]=4 4701 B12R1.69 OCCSc1ncc(cc1O)F 62a_100009820119_100000211926 [0,1,0,0,0,0|1,2,0]=4 4702 B12R1.69 OCCSc1ncc(nc1Cl)Cl 62a_100000211926_100010173851 [0,1,0,0,0,0|2,1,0]=4 4703 B12R1.69 Oc1cc(ccc1NCCF)Br 34a_100000739049_100011217306 [0,1,0,0,0,0|2,1,0]=4 4704 B12R1.69 Oc1cc(ccc1NCCF)Cl 34a_100000185728_100011217306 [0,1,0,0,0,0|2,0,0]=3 4705 B12R1.69 Oc1cc(ccc1NCCF)F 34a_100000753323_100011217306 [0,1,0,0,0,0|2,1,0]=4 4706 B12R1.69 Oc1cc(ccc1SCCF)Br 62a_100011217306_100012344904 [0,1,0,0,0,0|1,2,0]=4 4707 B12R1.69 Oc1cc(ccc1SCCF)Br 62a_100012344904_100011217306 [0,1,0,0,0,0|1,2,0]=4 4708 B12R1.69 Oc1cc(ccc1SCCF)Cl 62a_100000050036_100011217306 [0,1,0,0,0,0|1,1,0]=3 4709 B12R1.69 Oc1cc(ccc1SCCF)Cl 62a_100011217306_100000050036 [0,1,0,0,0,0|1,1,0]=3 4710 B12R1.69 Oc1cc(ccc1SCCF)F 62a_100000690578_100011217306 [0,1,0,0,0,0|1,2,0]=4 4711 B12R1.69 Oc1cc(ccc1SCCF)F 62a_100011217306_100000690578 [0,1,0,0,0,0|1,2,0]=4 4712 B12R1.69 Oc1cc(cnc1SCCF)Cl 62a_100010233512_100011217306 [0,1,0,0,0,0|2,1,0]=4 4713 B12R1.69 Oc1cc(cnc1SCCF)Cl 62a_100011217306_100010233512 [0,1,0,0,0,0|2,1,0]=4 4714 B12R1.69 Oc1ccc(c(c1)Br)NCCF 34a_100012001276_100011217306 [0,1,0,0,0,0|3,0,0]=4 4715 B12R1.69 Oc1ccc(c(c1)Br)SCCF 62a_100000701344_100011217306 [0,1,0,0,0,0|2,1,0]=4 4716 B12R1.69 Oc1ccc(c(c1)Br)SCCF 62a_100011217306_100000701344 [0,1,0,0,0,0|2,1,0]=4 4717 B12R1.69 Oc1ccc(c(c1)Cl)NCCF 34a_100011215599_100011217306 [0,1,0,0,0,0|3,0,0]=4 4718 B12R1.69 Oc1ccc(c(c1)Cl)SCCF 62a_100000047559_100011217306 [0,1,0,0,0,0|2,1,0]=4 4719 B12R1.69 Oc1ccc(c(c1)Cl)SCCF 62a_100011217306_100000047559 [0,1,0,0,0,0|2,1,0]=4 4720 B12R1.69 Oc1ccc(c(c1)F)NCCF 34a_100000759473_100011217306 [0,1,0,0,0,0|3,0,0]=4 4721 B12R1.69 Oc1ccc(c(c1)F)SCCF 62a_100000755031_100011217306 [0,1,0,0,0,0|2,1,0]=4 4722 B12R1.69 Oc1ccc(c(c1)F)SCCF 62a_100011217306_100000755031 [0,1,0,0,0,0|2,1,0]=4 4723 B12R1.69 Oc1ccc(c(c1)I)NCCF 34a_100010084370_100011217306 [0,1,0,0,0,0|3,0,0]=4 4724 B12R1.69 Oc1ccc(c(c1)O)NCCF 34a_100000106777_100011217306 [0,1,0,0,0,0|3,0,0]=4 4725 B12R1.69 Oc1ccc(c(c1)O)SCCF 62a_100011217306_100009813921 [0,1,0,0,0,0|2,1,0]=4 4726 B12R1.69 [13CH3]NCCc1ccc(cc1Cl)Cl 2230a_100000210994_200025704644 [0,1,0,0,0,0|3,0,0]=4 4727 B12R1.69 [13CH3]NCCc1ccc(cc1Cl)Cl 34a_100000210994_200025704644 [0,1,0,0,0,0|3,0,0]=4 4728 B12R1.69 [13CH3]NCCc1ccc(cc1F)Cl 2230a_103496529009_200025704644 [0,1,0,0,0,0|3,0,0]=4 4729 B12R1.69 [13CH3]NCCc1ccc(cc1F)Cl 34a_103496529009_200025704644 [0,1,0,0,0,0|3,0,0]=4 4730 B12R1.69 [13CH3]OCCc1ccc(cc1Cl)Cl 34a_100011215701_200025704644 [0,1,0,0,0,0|3,0,0]=4 4731 B12R1.69 [13CH3]OCCc1ccc(cc1Cl)Cl 7a_100011215701_200025704644 [0,1,0,0,0,0|3,0,0]=4 4732 B12R1.69 [13CH3]SCCc1ccc(cc1Br)Cl 62a_200012945151_200025704644 [0,1,0,0,0,0|3,0,0]=4 4733 B12R1.69 [13CH3]SCCc1ccc(cc1Br)Cl 62a_200025704644_200012945151 [0,1,0,0,0,0|3,0,0]=4 4734 B12R1.69 [13CH3]SCCc1ccc(cc1Cl)Cl 62a_200012161198_200025704644 [0,1,0,0,0,0|3,0,0]=4 4735 B12R1.69 [13CH3]SCCc1ccc(cc1Cl)Cl 62a_200025704644_200012161198 [0,1,0,0,0,0|3,0,0]=4 4736 B12R1.69 [O-][n+]1cc(ccc1SCCO)F 62a_100000211926_100009817261 [0,1,0,0,0,0|1,2,0]=4 4737 B12R1.69 [O-][n+]1cc(ccc1SCCO)F 62a_100009817261_100000211926 [0,1,0,0,0,0|1,2,0]=4 4738 B12R1.71 C#CCOc1ccc(cc1)C#N 34a_100000210344_100000184674 [0,1,0,0,0,0|2,0,1]=4 4739 B12R1.71 C#CCOc1ccc(cc1)C#N 7a_100000210344_100000038162 [0,1,0,0,0,0|2,0,1]=4 4740 B12R1.71 C#CCOc1ccc(cc1)C=C 34a_100000189437_100000184674 [0,1,0,0,0,0|2,0,1]=4 4741 B12R1.71 C#CCOc1ccc(cc1)C=C 7a_100000189437_100000038162 [0,1,0,0,0,0|2,0,1]=4 4742 B12R1.71 C#CCOc1ccc(cc1)CC 34a_100000211359_100000184674 [0,1,0,0,0,0|2,0,1]=4 4743 B12R1.71 C#CCOc1ccc(cc1)CC 7a_100000211359_100000038162 [0,1,0,0,0,0|2,0,1]=4 4744 B12R1.71 C#CCOc1ccc(cc1)CN 34a_100000185549_100000184674 [0,1,0,0,0,0|2,0,1]=4 4745 B12R1.71 C#CCOc1ccc(cc1)CO 34a_100000211755_100000184674 [0,1,0,0,0,0|2,0,1]=4 4746 B12R1.71 C#CCOc1ccc(cc1)NC 2230a_100000753246_200000210301 [0,1,0,0,0,0|2,0,1]=4 4747 B12R1.71 C#CCOc1ccc(cc1)NC 34a_100000182112_100000184674 [0,1,0,0,0,0|2,0,1]=4 4748 B12R1.71 C#CCOc1ccc(cc1)NC 34a_100000753246_200000210301 [0,1,0,0,0,0|2,0,1]=4 4749 B12R1.71 C#CCOc1ccc(cc1)N[13CH3] 2230a_100000753246_200025704644 [0,1,0,0,0,0|2,0,1]=4 4750 B12R1.71 C#CCOc1ccc(cc1)N[13CH3] 34a_100000753246_200025704644 [0,1,0,0,0,0|2,0,1]=4 4751 B12R1.71 C#CCOc1ccc(cc1)OC 34a_100000210503_100000184674 [0,1,0,0,0,0|2,0,1]=4 4752 B12R1.71 C#CCOc1ccc(cc1)SC 34a_100000211864_100000184674 [0,1,0,0,0,0|2,0,1]=4 4753 B12R1.71 C#Cc1ccc(cc1)NCCC 34a_100011215031_100000210303 [0,1,0,0,0,0|3,0,0]=4 4754 B12R1.71 C#Cc1ccc(cc1)NCCF 34a_100011215031_100011217306 [0,1,0,0,0,0|3,0,0]=4 4755 B12R1.71 C#Cc1ccc(cc1)NCCO 34a_100011215031_100000211926 [0,1,0,0,0,0|2,0,0]=3 4756 B12R1.71 C#Cc1ccc(nc1)OCCC 34a_200009884252_100000210303 [0,1,0,0,0,0|3,0,0]=4 4757 B12R1.71 C#Cc1ccc(nc1)OCCF 34a_200009884252_100011217306 [0,1,0,0,0,0|3,0,0]=4 4758 B12R1.71 C#Cc1ccc(nc1)OCCO 34a_200009884252_100000211926 [0,1,0,0,0,0|2,0,0]=3 4759 B12R1.71 C=CCOc1ccc(cc1)C#N 34a_100000210344_100015514636 [0,1,0,0,0,0|2,0,1]=4 4760 B12R1.71 C=CCOc1ccc(cc1)C#N 7a_100000210344_100015514636 [0,1,0,0,0,0|2,0,1]=4 4761 B12R1.71 C=CCOc1ccc(cc1)C=C 271570a_100011290941_100000172055 [0,1,0,0,0,0|2,0,1]=4 4762 B12R1.71 C=CCOc1ccc(cc1)C=C 34a_100000189437_100015514636 [0,1,0,0,0,0|2,0,1]=4 4763 B12R1.71 C=CCOc1ccc(cc1)C=C 7a_100000189437_100015514636 [0,1,0,0,0,0|2,0,1]=4 4764 B12R1.71 C=CCOc1ccc(cc1)CC 34a_100000211359_100015514636 [0,1,0,0,0,0|2,0,1]=4 4765 B12R1.71 C=CCOc1ccc(cc1)CC 7a_100000211359_100015514636 [0,1,0,0,0,0|2,0,1]=4 4766 B12R1.71 C=CCOc1ccc(cc1)CN 34a_100000185549_100015514636 [0,1,0,0,0,0|2,0,1]=4 4767 B12R1.71 C=CCOc1ccc(cc1)CO 34a_100000211755_100015514636 [0,1,0,0,0,0|2,0,1]=4 4768 B12R1.71 C=CCOc1ccc(cc1)NC 34a_100000182112_100015514636 [0,1,0,0,0,0|2,0,1]=4 4769 B12R1.71 C=CCOc1ccc(cc1)OC 34a_100000210503_100015514636 [0,1,0,0,0,0|2,0,1]=4 4770 B12R1.71 C=CCOc1ccc(cc1)SC 34a_100000211864_100015514636 [0,1,0,0,0,0|2,0,1]=4 4771 B12R1.71 C=CCOc1ccc(cc1)SC 62a_100000172055_200000210301 [0,1,0,0,0,0|2,0,1]=4 4772 B12R1.71 C=CCOc1ccc(cc1)SC 62a_200000210301_100000172055 [0,1,0,0,0,0|2,0,1]=4 4773 B12R1.71 C=CCOc1ccc(cc1)S[13CH3] 62a_100000172055_200025704644 [0,1,0,0,0,0|2,0,1]=4 4774 B12R1.71 C=CCOc1ccc(cc1)S[13CH3] 62a_200025704644_100000172055 [0,1,0,0,0,0|2,0,1]=4 4775 B12R1.71 C=Cc1ccc(cc1)C#CCO 271570a_100011290941_100009814260 [0,1,0,0,0,0|2,0,1]=4 4776 B12R1.71 C=Cc1ccc(cc1)CCCC 271570a_100011290941_100011215597 [0,1,0,0,0,0|3,0,0]=4 4777 B12R1.71 C=Cc1ccc(cc1)CCCN 271570a_100011290941_100011297623 [0,1,0,0,0,0|3,0,0]=4 4778 B12R1.71 C=Cc1ccc(cc1)CCCO 271570a_100011290941_100011709247 [0,1,0,0,0,0|2,0,0]=3 4779 B12R1.71 C=Cc1ccc(cc1)NCCC 34a_100011218248_100000210303 [0,1,0,0,0,0|3,0,0]=4 4780 B12R1.71 C=Cc1ccc(cc1)NCCF 34a_100011218248_100011217306 [0,1,0,0,0,0|3,0,0]=4 4781 B12R1.71 C=Cc1ccc(cc1)NCCO 34a_100011218248_100000211926 [0,1,0,0,0,0|2,0,0]=3 4782 B12R1.71 C=Cc1ccc(cc1)OCC#N 271570a_100011290941_200000169425 [0,1,0,0,0,0|2,0,1]=4 4783 B12R1.71 C=Cc1ccc(cc1)OCC#N 7a_100000189437_100011215382 [0,1,0,0,0,0|2,0,1]=4 4784 B12R1.71 C=Cc1ccc(cc1)OCC=O 34a_100000189437_200009817547 [0,1,0,0,0,0|1,0,2]=4 4785 B12R1.71 C=Cc1ccc(cc1)OCC=O 7a_100000189437_200015260668 [0,1,0,0,0,0|1,0,2]=4 4786 B12R1.71 C=Cc1ccc(cc1)OCCC 271570a_100011290941_100000169948 [0,1,0,0,0,0|2,0,0]=3 4787 B12R1.71 C=Cc1ccc(cc1)OCCC 34a_100000189437_100000210303 [0,1,0,0,0,0|2,0,0]=3 4788 B12R1.71 C=Cc1ccc(cc1)OCCC 7a_100000189437_100000210303 [0,1,0,0,0,0|2,0,0]=3 4789 B12R1.71 C=Cc1ccc(cc1)OCCF 271570a_100011290941_100012347556 [0,1,0,0,0,0|2,0,0]=3 4790 B12R1.71 C=Cc1ccc(cc1)OCCF 34a_100000189437_100011217306 [0,1,0,0,0,0|2,0,0]=3 4791 B12R1.71 C=Cc1ccc(cc1)OCCF 7a_100000189437_100011217306 [0,1,0,0,0,0|2,0,0]=3 4792 B12R1.71 C=Cc1ccc(cc1)OCCN 271570a_100011290941_100000746992 [0,1,0,0,0,0|2,0,0]=3 4793 B12R1.71 C=Cc1ccc(cc1)OCCO 271570a_100011290941_100000686261 [0,1,0,0,0,0|1,0,0]=2 4794 B12R1.71 C=Cc1ccc(cc1)OCCO 34a_100000189437_100000211926 [0,1,0,0,0,0|1,0,0]=2 4795 B12R1.71 C=Cc1ccc(cc1)OCCO 7a_100000189437_100000211926 [0,1,0,0,0,0|1,0,0]=2 4796 B12R1.71 C=Cc1ccc(cc1)OCOC 271570a_100011290941_100012265687 [0,1,0,0,0,0|3,0,0]=4 4797 B12R1.71 C=Cc1ccc(cc1)OCSC 34a_100000189437_100011218213 [0,1,0,0,0,0|3,0,0]=4 4798 B12R1.71 C=Cc1ccc(cc1)SCCC 271570a_100011290941_200009811899 [0,1,0,0,0,0|2,1,0]=4 4799 B12R1.71 C=Cc1ccc(cc1)SCCC 62a_100000210303_100000748128 [0,1,0,0,0,0|2,1,0]=4 4800 B12R1.71 C=Cc1ccc(cc1)SCCC 62a_100000748128_100000210303 [0,1,0,0,0,0|2,1,0]=4 4801 B12R1.71 C=Cc1ccc(cc1)SCCF 62a_100000748128_100011217306 [0,1,0,0,0,0|2,1,0]=4 4802 B12R1.71 C=Cc1ccc(cc1)SCCF 62a_100011217306_100000748128 [0,1,0,0,0,0|2,1,0]=4 4803 B12R1.71 C=Cc1ccc(cc1)SCCN 271570a_100011290941_100000184645 [0,1,0,0,0,0|2,1,0]=4 4804 B12R1.71 C=Cc1ccc(cc1)SCCO 62a_100000211926_100000748128 [0,1,0,0,0,0|1,1,0]=3 4805 B12R1.71 C=Cc1ccc(cc1)SCCO 62a_100000748128_100000211926 [0,1,0,0,0,0|1,1,0]=3 4806 B12R1.71 C=Cc1ccc(cn1)OCCC 271570a_100011290941_100000719977 [0,1,0,0,0,0|3,0,0]=4 4807 B12R1.71 C=Cc1ccc(cn1)OCCO 271570a_100011290941_200013150534 [0,1,0,0,0,0|2,0,0]=3 4808 B12R1.71 C=Cc1ccc(nc1)OCCC 271570a_100011290941_100011465619 [0,1,0,0,0,0|3,0,0]=4 4809 B12R1.71 C=Cc1ccc(nc1)SCCO 62a_100000211926_103436540071 [0,1,0,0,0,0|2,1,0]=4 4810 B12R1.71 C=Cc1ccc(nc1)SCCO 62a_103436540071_100000211926 [0,1,0,0,0,0|2,1,0]=4 4811 B12R1.71 CCCCc1ccc(cc1)C#N 271570a_100020621405_100000179745 [0,1,0,0,0,0|3,0,0]=4 4812 B12R1.71 CCCCc1ccc(cc1)C=O 271570a_100020621405_100000186029 [0,1,0,0,0,0|3,0,0]=4 4813 B12R1.71 CCCCc1ccc(cc1)CC 271570a_100020621405_100011215824 [0,1,0,0,0,0|3,0,0]=4 4814 B12R1.71 CCCCc1ccc(cc1)CF 271570a_100020621405_100010268989 [0,1,0,0,0,0|2,1,0]=4 4815 B12R1.71 CCCCc1ccc(cc1)CN 271570a_100020621405_100016989417 [0,1,0,0,0,0|3,0,0]=4 4816 B12R1.71 CCCCc1ccc(cc1)CO 271570a_100020621405_100000690907 [0,1,0,0,0,0|3,0,0]=4 4817 B12R1.71 CCCCc1ccc(cc1)NC 2230a_100000210628_200000210301 [0,1,0,0,0,0|3,0,0]=4 4818 B12R1.71 CCCCc1ccc(cc1)NC 271570a_100020621405_100000219623 [0,1,0,0,0,0|3,0,0]=4 4819 B12R1.71 CCCCc1ccc(cc1)NC 34a_100000210628_200000210301 [0,1,0,0,0,0|3,0,0]=4 4820 B12R1.71 CCCCc1ccc(cc1)NN 271570a_100020621405_100016988836 [0,1,0,0,0,0|3,0,0]=4 4821 B12R1.71 CCCCc1ccc(cc1)N[13CH3] 2230a_100000210628_200025704644 [0,1,0,0,0,0|3,0,0]=4 4822 B12R1.71 CCCCc1ccc(cc1)N[13CH3] 34a_100000210628_200025704644 [0,1,0,0,0,0|3,0,0]=4 4823 B12R1.71 CCCCc1ccc(cc1)OC 271570a_100020621405_100000171711 [0,1,0,0,0,0|3,0,0]=4 4824 B12R1.71 CCCCc1ccc(cc1)OC 34a_100011216022_200000210301 [0,1,0,0,0,0|3,0,0]=4 4825 B12R1.71 CCCCc1ccc(cc1)OC 7a_100011216022_200000210301 [0,1,0,0,0,0|3,0,0]=4 4826 B12R1.71 CCCCc1ccc(cc1)O[13CH3] 34a_100011216022_200025704644 [0,1,0,0,0,0|3,0,0]=4 4827 B12R1.71 CCCCc1ccc(cc1)O[13CH3] 7a_100011216022_200025704644 [0,1,0,0,0,0|3,0,0]=4 4828 B12R1.71 CCCCc1ccc(cc1)SC 271570a_100020621405_100011263217 [0,1,0,0,0,0|3,0,0]=4 4829 B12R1.71 CCCCc1ccc(cc1)SC 62a_100011218101_200000210301 [0,1,0,0,0,0|3,0,0]=4 4830 B12R1.71 CCCCc1ccc(cc1)SC 62a_200000210301_100011218101 [0,1,0,0,0,0|3,0,0]=4 4831 B12R1.71 CCCCc1ccc(cc1)S[13CH3] 62a_100011218101_200025704644 [0,1,0,0,0,0|3,0,0]=4 4832 B12R1.71 CCCCc1ccc(cc1)S[13CH3] 62a_200025704644_100011218101 [0,1,0,0,0,0|3,0,0]=4 4833 B12R1.71 CCCNc1ccc(cc1)C#N 34a_100000185469_100000210303 [0,1,0,0,0,0|3,0,0]=4 4834 B12R1.71 CCCNc1ccc(cc1)CC 2230a_100000211069_100000210303 [0,1,0,0,0,0|3,0,0]=4 4835 B12R1.71 CCCNc1ccc(cc1)CC 34a_100000211069_100000210303 [0,1,0,0,0,0|3,0,0]=4 4836 B12R1.71 CCCNc1ccc(cc1)CO 2230a_100011215238_100000210303 [0,1,0,0,0,0|3,0,0]=4 4837 B12R1.71 CCCNc1ccc(cc1)CO 34a_100011215238_100000210303 [0,1,0,0,0,0|3,0,0]=4 4838 B12R1.71 CCCNc1ccc(cc1)OC 34a_100000184247_100000210303 [0,1,0,0,0,0|3,0,0]=4 4839 B12R1.71 CCCNc1ccc(cc1)SC 34a_100000212337_100000210303 [0,1,0,0,0,0|3,0,0]=4 4840 B12R1.71 CCCOc1ccc(cc1)C#N 34a_100000210344_100000210303 [0,1,0,0,0,0|2,0,0]=3 4841 B12R1.71 CCCOc1ccc(cc1)C#N 7a_100000210344_100000210303 [0,1,0,0,0,0|2,0,0]=3 4842 B12R1.71 CCCOc1ccc(cc1)CC 34a_100000211359_100000210303 [0,1,0,0,0,0|2,0,0]=3 4843 B12R1.71 CCCOc1ccc(cc1)CC 7a_100000211359_100000210303 [0,1,0,0,0,0|2,0,0]=3 4844 B12R1.71 CCCOc1ccc(cc1)CN 34a_100000185549_100000210303 [0,1,0,0,0,0|2,0,0]=3 4845 B12R1.71 CCCOc1ccc(cc1)CO 34a_100000211755_100000210303 [0,1,0,0,0,0|2,0,0]=3 4846 B12R1.71 CCCOc1ccc(cc1)NC 34a_100000182112_100000210303 [0,1,0,0,0,0|2,0,0]=3 4847 B12R1.71 CCCOc1ccc(cc1)NC 34a_100000748631_200000210301 [0,1,0,0,0,0|2,0,0]=3 4848 B12R1.71 CCCOc1ccc(cc1)N[13CH3] 34a_100000748631_200025704644 [0,1,0,0,0,0|2,0,0]=3 4849 B12R1.71 CCCOc1ccc(cc1)OC 34a_100000185468_200000210301 [0,1,0,0,0,0|2,0,0]=3 4850 B12R1.71 CCCOc1ccc(cc1)OC 34a_100000210503_100000210303 [0,1,0,0,0,0|2,0,0]=3 4851 B12R1.71 CCCOc1ccc(cc1)OC 7a_100000185468_200000210301 [0,1,0,0,0,0|2,0,0]=3 4852 B12R1.71 CCCOc1ccc(cc1)O[13CH3] 34a_100000185468_200025704644 [0,1,0,0,0,0|2,0,0]=3 4853 B12R1.71 CCCOc1ccc(cc1)O[13CH3] 7a_100000185468_200025704644 [0,1,0,0,0,0|2,0,0]=3 4854 B12R1.71 CCCOc1ccc(cc1)SC 34a_100000211864_100000210303 [0,1,0,0,0,0|2,0,0]=3 4855 B12R1.71 CCCOc1ccc(cc1)SC 62a_100000169948_200000210301 [0,1,0,0,0,0|2,0,0]=3 4856 B12R1.71 CCCOc1ccc(cc1)SC 62a_200000210301_100000169948 [0,1,0,0,0,0|2,0,0]=3 4857 B12R1.71 CCCOc1ccc(cc1)S[13CH3] 62a_100000169948_200025704644 [0,1,0,0,0,0|2,0,0]=3 4858 B12R1.71 CCCOc1ccc(cc1)S[13CH3] 62a_200025704644_100000169948 [0,1,0,0,0,0|2,0,0]=3 4859 B12R1.71 CCCOc1ccc(cn1)CN 34a_100000757128_100000210303 [0,1,0,0,0,0|3,0,0]=4 4860 B12R1.71 CCCOc1ccc(cn1)OC 34a_100012002028_100000210303 [0,1,0,0,0,0|3,0,0]=4 4861 B12R1.71 CCCOc1ccc(cn1)SC 62a_100011465619_200000210301 [0,1,0,0,0,0|3,0,0]=4 4862 B12R1.71 CCCOc1ccc(cn1)SC 62a_200000210301_100011465619 [0,1,0,0,0,0|3,0,0]=4 4863 B12R1.71 CCCOc1ccc(cn1)S[13CH3] 62a_100011465619_200025704644 [0,1,0,0,0,0|3,0,0]=4 4864 B12R1.71 CCCOc1ccc(cn1)S[13CH3] 62a_200025704644_100011465619 [0,1,0,0,0,0|3,0,0]=4 4865 B12R1.71 CCCOc1ccc(nc1)C#N 34a_100011934750_100000210303 [0,1,0,0,0,0|3,0,0]=4 4866 B12R1.71 CCCOc1ccc(nc1)C#N 7a_100011934750_100000210303 [0,1,0,0,0,0|3,0,0]=4 4867 B12R1.71 CCCOc1ccc(nc1)CN 34a_100020605196_100000210303 [0,1,0,0,0,0|3,0,0]=4 4868 B12R1.71 CCCOc1ccc(nc1)CO 34a_103436540053_100000210303 [0,1,0,0,0,0|3,0,0]=4 4869 B12R1.71 CCCOc1ccc(nc1)OC 34a_100011934560_100000210303 [0,1,0,0,0,0|3,0,0]=4 4870 B12R1.71 CCCOc1ccc(nc1)SC 62a_100000719977_200000210301 [0,1,0,0,0,0|3,0,0]=4 4871 B12R1.71 CCCOc1ccc(nc1)SC 62a_200000210301_100000719977 [0,1,0,0,0,0|3,0,0]=4 4872 B12R1.71 CCCOc1ccc(nc1)S[13CH3] 62a_100000719977_200025704644 [0,1,0,0,0,0|3,0,0]=4 4873 B12R1.71 CCCOc1ccc(nc1)S[13CH3] 62a_200025704644_100000719977 [0,1,0,0,0,0|3,0,0]=4 4874 B12R1.71 CCCSc1ccc(cc1)C#N 62a_100000210303_100000184291 [0,1,0,0,0,0|2,1,0]=4 4875 B12R1.71 CCCSc1ccc(cc1)C=O 62a_100000188517_100000210303 [0,1,0,0,0,0|2,1,0]=4 4876 B12R1.71 CCCSc1ccc(cc1)C=O 62a_100000210303_100000188517 [0,1,0,0,0,0|2,1,0]=4 4877 B12R1.71 CCCSc1ccc(cc1)CC 62a_100000210303_100011215824 [0,1,0,0,0,0|2,1,0]=4 4878 B12R1.71 CCCSc1ccc(cc1)CC 62a_100011215824_100000210303 [0,1,0,0,0,0|2,1,0]=4 4879 B12R1.71 CCCSc1ccc(cc1)CF 62a_100000210303_100010268989 [0,1,0,0,0,0|1,2,0]=4 4880 B12R1.71 CCCSc1ccc(cc1)CF 62a_100010268989_100000210303 [0,1,0,0,0,0|1,2,0]=4 4881 B12R1.71 CCCSc1ccc(cc1)CN 62a_100000210303_100016989417 [0,1,0,0,0,0|2,1,0]=4 4882 B12R1.71 CCCSc1ccc(cc1)CN 62a_100016989417_100000210303 [0,1,0,0,0,0|2,1,0]=4 4883 B12R1.71 CCCSc1ccc(cc1)CO 62a_100000210303_100000690907 [0,1,0,0,0,0|2,1,0]=4 4884 B12R1.71 CCCSc1ccc(cc1)CO 62a_100000690907_100000210303 [0,1,0,0,0,0|2,1,0]=4 4885 B12R1.71 CCCSc1ccc(cc1)NC 34a_100015183887_200000210301 [0,1,0,0,0,0|2,1,0]=4 4886 B12R1.71 CCCSc1ccc(cc1)NC 62a_100000210303_100000743151 [0,1,0,0,0,0|2,1,0]=4 4887 B12R1.71 CCCSc1ccc(cc1)NC 62a_100000743151_100000210303 [0,1,0,0,0,0|2,1,0]=4 4888 B12R1.71 CCCSc1ccc(cc1)NC 7a_100015183887_200000210301 [0,1,0,0,0,0|2,1,0]=4 4889 B12R1.71 CCCSc1ccc(cc1)NN 62a_100000210303_100016988836 [0,1,0,0,0,0|2,1,0]=4 4890 B12R1.71 CCCSc1ccc(cc1)NN 62a_100016988836_100000210303 [0,1,0,0,0,0|2,1,0]=4 4891 B12R1.71 CCCSc1ccc(cc1)N[13CH3] 34a_100015183887_200025704644 [0,1,0,0,0,0|2,1,0]=4 4892 B12R1.71 CCCSc1ccc(cc1)N[13CH3] 7a_100015183887_200025704644 [0,1,0,0,0,0|2,1,0]=4 4893 B12R1.71 CCCSc1ccc(cc1)OC 62a_100000210303_100000171711 [0,1,0,0,0,0|2,1,0]=4 4894 B12R1.71 CCCSc1ccc(cc1)SC 62a_100000210303_100011263217 [0,1,0,0,0,0|2,1,0]=4 4895 B12R1.71 CCCSc1ccc(cc1)SC 62a_100011263217_100000210303 [0,1,0,0,0,0|2,1,0]=4 4896 B12R1.71 CCCSc1ccc(cc1)SC 62a_200000210301_200009811899 [0,1,0,0,0,0|2,1,0]=4 4897 B12R1.71 CCCSc1ccc(cc1)SC 62a_200009811899_200000210301 [0,1,0,0,0,0|2,1,0]=4 4898 B12R1.71 CCCSc1ccc(cc1)S[13CH3] 62a_200009811899_200025704644 [0,1,0,0,0,0|2,1,0]=4 4899 B12R1.71 CCCSc1ccc(cc1)S[13CH3] 62a_200025704644_200009811899 [0,1,0,0,0,0|2,1,0]=4 4900 B12R1.71 CCNN=C1C=CC(=NCl)C=C1 4a_100000756455_100000088476 [0,1,0,0,0,0|3,0,0]=4 4901 B12R1.71 CCOCc1ccc(cc1)CCl 34a_100000067286_100000210202 [0,1,0,0,0,0|3,0,0]=4 4902 B12R1.71 CCOCc1ccc(cc1)CCl 7a_100000067286_100000210202 [0,1,0,0,0,0|3,0,0]=4 4903 B12R1.71 CCc1ccc(cc1)NCCF 2230a_100000211069_100011217306 [0,1,0,0,0,0|3,0,0]=4 4904 B12R1.71 CCc1ccc(cc1)NCCF 34a_100000211069_100011217306 [0,1,0,0,0,0|3,0,0]=4 4905 B12R1.71 CCc1ccc(cc1)NCCO 2230a_100000211069_100000211926 [0,1,0,0,0,0|2,0,0]=3 4906 B12R1.71 CCc1ccc(cc1)NCCO 34a_100000211069_100000211926 [0,1,0,0,0,0|2,0,0]=3 4907 B12R1.71 CCc1ccc(cc1)OCC#N 7a_100000211359_100011215382 [0,1,0,0,0,0|2,0,1]=4 4908 B12R1.71 CCc1ccc(cc1)OCC=O 34a_100000211359_200009817547 [0,1,0,0,0,0|1,0,2]=4 4909 B12R1.71 CCc1ccc(cc1)OCC=O 7a_100000211359_200015260668 [0,1,0,0,0,0|1,0,2]=4 4910 B12R1.71 CCc1ccc(cc1)OCCF 34a_100000211359_100011217306 [0,1,0,0,0,0|2,0,0]=3 4911 B12R1.71 CCc1ccc(cc1)OCCF 7a_100000211359_100011217306 [0,1,0,0,0,0|2,0,0]=3 4912 B12R1.71 CCc1ccc(cc1)OCCO 34a_100000211359_100000211926 [0,1,0,0,0,0|1,0,0]=2 4913 B12R1.71 CCc1ccc(cc1)OCCO 7a_100000211359_100000211926 [0,1,0,0,0,0|1,0,0]=2 4914 B12R1.71 CCc1ccc(cc1)OCSC 34a_100000211359_100011218213 [0,1,0,0,0,0|3,0,0]=4 4915 B12R1.71 CCc1ccc(cc1)SCCF 62a_100011215824_100011217306 [0,1,0,0,0,0|2,1,0]=4 4916 B12R1.71 CCc1ccc(cc1)SCCF 62a_100011217306_100011215824 [0,1,0,0,0,0|2,1,0]=4 4917 B12R1.71 CCc1ccc(cc1)SCCO 62a_100000211926_100011215824 [0,1,0,0,0,0|1,1,0]=3 4918 B12R1.71 CCc1ccc(cc1)SCCO 62a_100011215824_100000211926 [0,1,0,0,0,0|1,1,0]=3 4919 B12R1.71 CCc1ccc(cn1)SCCO 62a_100000211926_100009820025 [0,1,0,0,0,0|2,1,0]=4 4920 B12R1.71 CCc1ccc(cn1)SCCO 62a_100009820025_100000211926 [0,1,0,0,0,0|2,1,0]=4 4921 B12R1.71 CCc1ccc(nc1)SCCO 62a_100000211926_100009843584 [0,1,0,0,0,0|2,1,0]=4 4922 B12R1.71 CCc1ccc(nc1)SCCO 62a_100009843584_100000211926 [0,1,0,0,0,0|2,1,0]=4 4923 B12R1.71 CNc1ccc(cc1)OCC=O 34a_100000182112_200009817547 [0,1,0,0,0,0|1,0,2]=4 4924 B12R1.71 CNc1ccc(cc1)OCCF 34a_100000182112_100011217306 [0,1,0,0,0,0|2,0,0]=3 4925 B12R1.71 CNc1ccc(cc1)OCCF 34a_100012282086_200000210301 [0,1,0,0,0,0|2,0,0]=3 4926 B12R1.71 CNc1ccc(cc1)OCCO 2230a_100000754363_200000210301 [0,1,0,0,0,0|1,0,0]=2 4927 B12R1.71 CNc1ccc(cc1)OCCO 34a_100000182112_100000211926 [0,1,0,0,0,0|1,0,0]=2 4928 B12R1.71 CNc1ccc(cc1)OCCO 34a_100000754363_200000210301 [0,1,0,0,0,0|1,0,0]=2 4929 B12R1.71 CNc1ccc(cc1)OCSC 34a_100000182112_100011218213 [0,1,0,0,0,0|3,0,0]=4 4930 B12R1.71 CNc1ccc(cc1)SCCF 62a_100000743151_100011217306 [0,1,0,0,0,0|2,1,0]=4 4931 B12R1.71 CNc1ccc(cc1)SCCF 62a_100011217306_100000743151 [0,1,0,0,0,0|2,1,0]=4 4932 B12R1.71 CNc1ccc(cc1)SCCO 62a_100000211926_100000743151 [0,1,0,0,0,0|1,1,0]=3 4933 B12R1.71 CNc1ccc(cc1)SCCO 62a_100000743151_100000211926 [0,1,0,0,0,0|1,1,0]=3 4934 B12R1.71 CNc1ccc(cn1)SCCO 62a_100000211926_100000741341 [0,1,0,0,0,0|2,1,0]=4 4935 B12R1.71 CNc1ccc(cn1)SCCO 62a_100000741341_100000211926 [0,1,0,0,0,0|2,1,0]=4 4936 B12R1.71 CNc1ccc(nc1)SCCO 62a_100000211926_100000764248 [0,1,0,0,0,0|2,1,0]=4 4937 B12R1.71 CNc1ccc(nc1)SCCO 62a_100000764248_100000211926 [0,1,0,0,0,0|2,1,0]=4 4938 B12R1.71 COCOc1ccc(cc1)OC 34a_200012265912_200000210301 [0,1,0,0,0,0|3,0,0]=4 4939 B12R1.71 COCOc1ccc(cc1)O[13CH3] 34a_200012265912_200025704644 [0,1,0,0,0,0|3,0,0]=4 4940 B12R1.71 COCOc1ccc(cc1)SC 62a_100012265687_200000210301 [0,1,0,0,0,0|3,0,0]=4 4941 B12R1.71 COCOc1ccc(cc1)SC 62a_200000210301_100012265687 [0,1,0,0,0,0|3,0,0]=4 4942 B12R1.71 COCOc1ccc(cc1)S[13CH3] 62a_100012265687_200025704644 [0,1,0,0,0,0|3,0,0]=4 4943 B12R1.71 COCOc1ccc(cc1)S[13CH3] 62a_200025704644_100012265687 [0,1,0,0,0,0|3,0,0]=4 4944 B12R1.71 COc1ccc(cc1)CCCO 34a_100011215268_200000210301 [0,1,0,0,0,0|2,0,0]=3 4945 B12R1.71 COc1ccc(cc1)CCCO 7a_100011215268_200000210301 [0,1,0,0,0,0|2,0,0]=3 4946 B12R1.71 COc1ccc(cc1)NCCF 34a_100000184247_100011217306 [0,1,0,0,0,0|3,0,0]=4 4947 B12R1.71 COc1ccc(cc1)NCCO 34a_100000184247_100000211926 [0,1,0,0,0,0|2,0,0]=3 4948 B12R1.71 COc1ccc(cc1)OCC=O 34a_100000210503_200009817547 [0,1,0,0,0,0|1,0,2]=4 4949 B12R1.71 COc1ccc(cc1)OCCF 34a_100000210503_100011217306 [0,1,0,0,0,0|2,0,0]=3 4950 B12R1.71 COc1ccc(cc1)OCCO 34a_100000210503_100000211926 [0,1,0,0,0,0|1,0,0]=2 4951 B12R1.71 COc1ccc(cc1)OCSC 34a_100000210503_100011218213 [0,1,0,0,0,0|3,0,0]=4 4952 B12R1.71 COc1ccc(cc1)SCCF 62a_100011217306_100000171711 [0,1,0,0,0,0|2,1,0]=4 4953 B12R1.71 COc1ccc(cc1)SCCO 62a_100000211926_100000171711 [0,1,0,0,0,0|1,1,0]=3 4954 B12R1.71 COc1ccc(cn1)OCCF 34a_100011934560_100011217306 [0,1,0,0,0,0|3,0,0]=4 4955 B12R1.71 COc1ccc(cn1)OCCO 34a_100011934560_100000211926 [0,1,0,0,0,0|2,0,0]=3 4956 B12R1.71 COc1ccc(cn1)SCCO 62a_100000047065_100000211926 [0,1,0,0,0,0|2,1,0]=4 4957 B12R1.71 COc1ccc(cn1)SCCO 62a_100000211926_100000047065 [0,1,0,0,0,0|2,1,0]=4 4958 B12R1.71 COc1ccc(nc1)OCCF 34a_100012002028_100011217306 [0,1,0,0,0,0|3,0,0]=4 4959 B12R1.71 COc1ccc(nc1)OCCO 34a_100012002028_100000211926 [0,1,0,0,0,0|2,0,0]=3 4960 B12R1.71 COc1ccc(nc1)SCCO 62a_100000211926_100000744180 [0,1,0,0,0,0|2,1,0]=4 4961 B12R1.71 COc1ccc(nc1)SCCO 62a_100000755202_100000211926 [0,1,0,0,0,0|2,1,0]=4 4962 B12R1.71 COc1ncc(cn1)OCCO 34a_100000099601_100000211926 [0,1,0,0,0,0|3,0,0]=4 4963 B12R1.71 COc1ncc(cn1)OCCO 7a_100000099601_100000211926 [0,1,0,0,0,0|3,0,0]=4 4964 B12R1.71 CSCOc1ccc(cc1)C#N 34a_100000210344_100011218213 [0,1,0,0,0,0|3,0,0]=4 4965 B12R1.71 CSCOc1ccc(cc1)CN 34a_100000185549_100011218213 [0,1,0,0,0,0|3,0,0]=4 4966 B12R1.71 CSCOc1ccc(cc1)CO 34a_100000211755_100011218213 [0,1,0,0,0,0|3,0,0]=4 4967 B12R1.71 CSCOc1ccc(cc1)SC 34a_100000211864_100011218213 [0,1,0,0,0,0|3,0,0]=4 4968 B12R1.71 CSc1ccc(cc1)C#CCO 62a_200000210301_100009814260 [0,1,0,0,0,0|2,0,1]=4 4969 B12R1.71 CSc1ccc(cc1)CCCN 62a_100011297623_200000210301 [0,1,0,0,0,0|3,0,0]=4 4970 B12R1.71 CSc1ccc(cc1)CCCN 62a_200000210301_100011297623 [0,1,0,0,0,0|3,0,0]=4 4971 B12R1.71 CSc1ccc(cc1)CCCO 62a_100011709247_200000210301 [0,1,0,0,0,0|2,0,0]=3 4972 B12R1.71 CSc1ccc(cc1)CCCO 62a_200000210301_100011709247 [0,1,0,0,0,0|2,0,0]=3 4973 B12R1.71 CSc1ccc(cc1)NCCF 34a_100000212337_100011217306 [0,1,0,0,0,0|3,0,0]=4 4974 B12R1.71 CSc1ccc(cc1)NCCO 34a_100000212337_100000211926 [0,1,0,0,0,0|2,0,0]=3 4975 B12R1.71 CSc1ccc(cc1)OCC#N 62a_200000169425_200000210301 [0,1,0,0,0,0|2,0,1]=4 4976 B12R1.71 CSc1ccc(cc1)OCC#N 62a_200000210301_200000169425 [0,1,0,0,0,0|2,0,1]=4 4977 B12R1.71 CSc1ccc(cc1)OCC=O 34a_100000211864_200009817547 [0,1,0,0,0,0|1,0,2]=4 4978 B12R1.71 CSc1ccc(cc1)OCCF 34a_100000211864_100011217306 [0,1,0,0,0,0|2,0,0]=3 4979 B12R1.71 CSc1ccc(cc1)OCCF 62a_100012347556_200000210301 [0,1,0,0,0,0|2,0,0]=3 4980 B12R1.71 CSc1ccc(cc1)OCCF 62a_200000210301_100012347556 [0,1,0,0,0,0|2,0,0]=3 4981 B12R1.71 CSc1ccc(cc1)OCCN 62a_100000746992_200000210301 [0,1,0,0,0,0|2,0,0]=3 4982 B12R1.71 CSc1ccc(cc1)OCCN 62a_200000210301_100000746992 [0,1,0,0,0,0|2,0,0]=3 4983 B12R1.71 CSc1ccc(cc1)OCCO 34a_100000211864_100000211926 [0,1,0,0,0,0|1,0,0]=2 4984 B12R1.71 CSc1ccc(cc1)OCCO 62a_100000686261_200000210301 [0,1,0,0,0,0|1,0,0]=2 4985 B12R1.71 CSc1ccc(cc1)OCCO 62a_200000210301_100000686261 [0,1,0,0,0,0|1,0,0]=2 4986 B12R1.71 CSc1ccc(cc1)SCCF 62a_100011217306_100011263217 [0,1,0,0,0,0|2,1,0]=4 4987 B12R1.71 CSc1ccc(cc1)SCCF 62a_100011263217_100011217306 [0,1,0,0,0,0|2,1,0]=4 4988 B12R1.71 CSc1ccc(cc1)SCCN 62a_100000184645_200000210301 [0,1,0,0,0,0|2,1,0]=4 4989 B12R1.71 CSc1ccc(cc1)SCCN 62a_200000210301_100000184645 [0,1,0,0,0,0|2,1,0]=4 4990 B12R1.71 CSc1ccc(cc1)SCCO 62a_100000211926_100011263217 [0,1,0,0,0,0|1,1,0]=3 4991 B12R1.71 CSc1ccc(cc1)SCCO 62a_100011263217_100000211926 [0,1,0,0,0,0|1,1,0]=3 4992 B12R1.71 CSc1ccc(cn1)OCCO 62a_200000210301_200013150534 [0,1,0,0,0,0|2,0,0]=3 4993 B12R1.71 CSc1ccc(cn1)OCCO 62a_200013150534_200000210301 [0,1,0,0,0,0|2,0,0]=3 4994 B12R1.71 CSc1ccc(cn1)SCCO 62a_100000211926_100011408404 [0,1,0,0,0,0|2,1,0]=4 4995 B12R1.71 CSc1ccc(cn1)SCCO 62a_100011408404_100000211926 [0,1,0,0,0,0|2,1,0]=4 4996 B12R1.71 CSc1ccc(nc1)NCCO 27a_100000210304_100009820866 [0,1,0,0,0,0|3,0,0]=4 4997 B12R1.71 CSc1ccc(nc1)SCCO 62a_100000211926_100009820866 [0,1,0,0,0,0|2,1,0]=4 4998 B12R1.71 CSc1ccc(nc1)SCCO 62a_100009820866_100000211926 [0,1,0,0,0,0|2,1,0]=4 4999 B12R1.71 CSc1ncc(cn1)OCCO 34a_100000075549_100000211926 [0,1,0,0,0,0|3,0,0]=4 5000 B12R1.71 CSc1ncc(cn1)OCCO 7a_100000075549_100000211926 [0,1,0,0,0,0|3,0,0]=4 5001 B12R1.71 FCCSc1ccc(cc1)CF 62a_100010268989_100011217306 [0,1,0,0,0,0|1,2,0]=4 5002 B12R1.71 FCCSc1ccc(cc1)CF 62a_100011217306_100010268989 [0,1,0,0,0,0|1,2,0]=4 5003 B12R1.71 FCOCc1ccc(cc1)CCl 34a_100000067286_100015361967 [0,1,0,0,0,0|3,0,0]=4 5004 B12R1.71 FCOCc1ccc(cc1)CCl 7a_100000067286_100015361967 [0,1,0,0,0,0|3,0,0]=4 5005 B12R1.71 N#CCOc1ccc(cc1)C#N 7a_100000210344_100011215382 [0,1,0,0,0,0|2,0,1]=4 5006 B12R1.71 N#Cc1ccc(cc1)NCCF 34a_100000185469_100011217306 [0,1,0,0,0,0|3,0,0]=4 5007 B12R1.71 N#Cc1ccc(cc1)NCCO 34a_100000185469_100000211926 [0,1,0,0,0,0|2,0,0]=3 5008 B12R1.71 N#Cc1ccc(cc1)OCC=O 34a_100000210344_200009817547 [0,1,0,0,0,0|1,0,2]=4 5009 B12R1.71 N#Cc1ccc(cc1)OCC=O 7a_100000210344_200015260668 [0,1,0,0,0,0|1,0,2]=4 5010 B12R1.71 N#Cc1ccc(cc1)OCCF 34a_100000210344_100011217306 [0,1,0,0,0,0|2,0,0]=3 5011 B12R1.71 N#Cc1ccc(cc1)OCCF 7a_100000210344_100011217306 [0,1,0,0,0,0|2,0,0]=3 5012 B12R1.71 N#Cc1ccc(cc1)OCCO 34a_100000210344_100000211926 [0,1,0,0,0,0|1,0,0]=2 5013 B12R1.71 N#Cc1ccc(cc1)OCCO 7a_100000210344_100000211926 [0,1,0,0,0,0|1,0,0]=2 5014 B12R1.71 N#Cc1ccc(cc1)SCCF 62a_100011217306_100000184291 [0,1,0,0,0,0|2,1,0]=4 5015 B12R1.71 N#Cc1ccc(cc1)SCCO 62a_100000211926_100000184291 [0,1,0,0,0,0|1,1,0]=3 5016 B12R1.71 N#Cc1ccc(cn1)OCCF 34a_100011934750_100011217306 [0,1,0,0,0,0|3,0,0]=4 5017 B12R1.71 N#Cc1ccc(cn1)OCCF 7a_100011934750_100011217306 [0,1,0,0,0,0|3,0,0]=4 5018 B12R1.71 N#Cc1ccc(cn1)OCCO 34a_100011934750_100000211926 [0,1,0,0,0,0|2,0,0]=3 5019 B12R1.71 N#Cc1ccc(cn1)OCCO 7a_100011934750_100000211926 [0,1,0,0,0,0|2,0,0]=3 5020 B12R1.71 N#Cc1ccc(cn1)SCCO 62a_100000211926_100000760455 [0,1,0,0,0,0|2,1,0]=4 5021 B12R1.71 N#Cc1ccc(nc1)NCCO 27a_100000210304_100000241038 [0,1,0,0,0,0|3,0,0]=4 5022 B12R1.71 N#Cc1ccc(nc1)SCCO 62a_100000211926_100000241038 [0,1,0,0,0,0|2,1,0]=4 5023 B12R1.71 N#Cc1ncc(cn1)OCCO 7a_100000707606_100000211926 [0,1,0,0,0,0|3,0,0]=4 5024 B12R1.71 NCc1ccc(cc1)OCC=O 34a_100000185549_200009817547 [0,1,0,0,0,0|1,0,2]=4 5025 B12R1.71 NCc1ccc(cc1)OCCF 34a_100000185549_100011217306 [0,1,0,0,0,0|2,0,0]=3 5026 B12R1.71 NCc1ccc(cc1)OCCO 34a_100000185549_100000211926 [0,1,0,0,0,0|1,0,0]=2 5027 B12R1.71 NCc1ccc(cc1)SCCF 62a_100011217306_100016989417 [0,1,0,0,0,0|2,1,0]=4 5028 B12R1.71 NCc1ccc(cc1)SCCF 62a_100016989417_100011217306 [0,1,0,0,0,0|2,1,0]=4 5029 B12R1.71 NCc1ccc(cc1)SCCO 62a_100000211926_100016989417 [0,1,0,0,0,0|1,1,0]=3 5030 B12R1.71 NCc1ccc(cc1)SCCO 62a_100016989417_100000211926 [0,1,0,0,0,0|1,1,0]=3 5031 B12R1.71 NCc1ccc(cn1)OCCF 34a_100020605196_100011217306 [0,1,0,0,0,0|3,0,0]=4 5032 B12R1.71 NCc1ccc(cn1)OCCO 34a_100020605196_100000211926 [0,1,0,0,0,0|2,0,0]=3 5033 B12R1.71 NCc1ccc(cn1)SCCO 62a_100000211926_100015188789 [0,1,0,0,0,0|2,1,0]=4 5034 B12R1.71 NCc1ccc(cn1)SCCO 62a_100015188789_100000211926 [0,1,0,0,0,0|2,1,0]=4 5035 B12R1.71 NCc1ccc(nc1)OCCF 34a_100000757128_100011217306 [0,1,0,0,0,0|3,0,0]=4 5036 B12R1.71 NCc1ccc(nc1)OCCO 34a_100000757128_100000211926 [0,1,0,0,0,0|2,0,0]=3 5037 B12R1.71 NCc1ccc(nc1)SCCO 62a_100000211926_100000735879 [0,1,0,0,0,0|2,1,0]=4 5038 B12R1.71 NCc1ccc(nc1)SCCO 62a_100000735879_100000211926 [0,1,0,0,0,0|2,1,0]=4 5039 B12R1.71 NNc1ccc(cc1)SCCF 62a_100011217306_100016988836 [0,1,0,0,0,0|2,1,0]=4 5040 B12R1.71 NNc1ccc(cc1)SCCF 62a_100016988836_100011217306 [0,1,0,0,0,0|2,1,0]=4 5041 B12R1.71 NNc1ccc(cc1)SCCO 62a_100000211926_100016988836 [0,1,0,0,0,0|1,1,0]=3 5042 B12R1.71 NNc1ccc(cc1)SCCO 62a_100016988836_100000211926 [0,1,0,0,0,0|1,1,0]=3 5043 B12R1.71 NNc1ccc(cn1)SCCO 62a_100000211926_100000750576 [0,1,0,0,0,0|2,1,0]=4 5044 B12R1.71 NNc1ccc(cn1)SCCO 62a_100000750576_100000211926 [0,1,0,0,0,0|2,1,0]=4 5045 B12R1.71 NNc1ccc(nc1)SCCO 62a_100000211926_100000119030 [0,1,0,0,0,0|2,1,0]=4 5046 B12R1.71 NNc1ccc(nc1)SCCO 62a_100000755011_100000211926 [0,1,0,0,0,0|2,1,0]=4 5047 B12R1.71 O=CCOc1ccc(cc1)CO 34a_100000211755_200009817547 [0,1,0,0,0,0|1,0,2]=4 5048 B12R1.71 O=Cc1ccc(cc1)SCCF 62a_100000188517_100011217306 [0,1,0,0,0,0|2,1,0]=4 5049 B12R1.71 O=Cc1ccc(cc1)SCCF 62a_100011217306_100000188517 [0,1,0,0,0,0|2,1,0]=4 5050 B12R1.71 O=Cc1ccc(cc1)SCCO 62a_100000188517_100000211926 [0,1,0,0,0,0|1,1,0]=3 5051 B12R1.71 O=Cc1ccc(cc1)SCCO 62a_100000211926_100000188517 [0,1,0,0,0,0|1,1,0]=3 5052 B12R1.71 O=Cc1ccc(cn1)SCCO 62a_100000211926_100000754260 [0,1,0,0,0,0|2,1,0]=4 5053 B12R1.71 O=Cc1ccc(cn1)SCCO 62a_100000754260_100000211926 [0,1,0,0,0,0|2,1,0]=4 5054 B12R1.71 O=Cc1ccc(nc1)SCCO 62a_100000211926_100000766901 [0,1,0,0,0,0|2,1,0]=4 5055 B12R1.71 O=Cc1ccc(nc1)SCCO 62a_100000766901_100000211926 [0,1,0,0,0,0|2,1,0]=4 5056 B12R1.71 OCCNc1ccc(cc1)CO 2230a_100011215238_100000211926 [0,1,0,0,0,0|2,0,0]=3 5057 B12R1.71 OCCNc1ccc(cc1)CO 34a_100011215238_100000211926 [0,1,0,0,0,0|2,0,0]=3 5058 B12R1.71 OCCOc1ccc(cc1)CO 34a_100000211755_100000211926 [0,1,0,0,0,0|1,0,0]=2 5059 B12R1.71 OCCOc1ccc(nc1)CO 34a_103436540053_100000211926 [0,1,0,0,0,0|2,0,0]=3 5060 B12R1.71 OCCSc1ccc(cc1)CF 62a_100000211926_100010268989 [0,1,0,0,0,0|0,2,0]=3 5061 B12R1.71 OCCSc1ccc(cc1)CF 62a_100010268989_100000211926 [0,1,0,0,0,0|0,2,0]=3 5062 B12R1.71 OCCSc1ccc(cc1)CO 62a_100000211926_100000690907 [0,1,0,0,0,0|1,1,0]=3 5063 B12R1.71 OCCSc1ccc(cc1)CO 62a_100000690907_100000211926 [0,1,0,0,0,0|1,1,0]=3 5064 B12R1.71 OCCSc1ccc(cn1)CO 62a_100000211926_100009816760 [0,1,0,0,0,0|2,1,0]=4 5065 B12R1.71 OCCSc1ccc(cn1)CO 62a_100009816760_100000211926 [0,1,0,0,0,0|2,1,0]=4 5066 B12R1.71 OCCSc1ccc(nc1)CO 62a_100000211926_100000754261 [0,1,0,0,0,0|2,1,0]=4 5067 B12R1.71 OCCSc1ccc(nc1)CO 62a_100000754261_100000211926 [0,1,0,0,0,0|2,1,0]=4 5068 B12R1.71 OCc1ccc(cc1)NCCF 2230a_100011215238_100011217306 [0,1,0,0,0,0|3,0,0]=4 5069 B12R1.71 OCc1ccc(cc1)NCCF 34a_100011215238_100011217306 [0,1,0,0,0,0|3,0,0]=4 5070 B12R1.71 OCc1ccc(cc1)OCCF 34a_100000211755_100011217306 [0,1,0,0,0,0|2,0,0]=3 5071 B12R1.71 OCc1ccc(cc1)SCCF 62a_100000690907_100011217306 [0,1,0,0,0,0|2,1,0]=4 5072 B12R1.71 OCc1ccc(cc1)SCCF 62a_100011217306_100000690907 [0,1,0,0,0,0|2,1,0]=4 5073 B12R1.71 OCc1ccc(cn1)OCCF 34a_103436540053_100011217306 [0,1,0,0,0,0|3,0,0]=4 5074 B12R1.71 [13CH3]Nc1ccc(cc1)OCCF 34a_100012282086_200025704644 [0,1,0,0,0,0|2,0,0]=3 5075 B12R1.71 [13CH3]Nc1ccc(cc1)OCCO 2230a_100000754363_200025704644 [0,1,0,0,0,0|1,0,0]=2 5076 B12R1.71 [13CH3]Nc1ccc(cc1)OCCO 34a_100000754363_200025704644 [0,1,0,0,0,0|1,0,0]=2 5077 B12R1.71 [13CH3]Oc1ccc(cc1)CCCO 34a_100011215268_200025704644 [0,1,0,0,0,0|2,0,0]=3 5078 B12R1.71 [13CH3]Oc1ccc(cc1)CCCO 7a_100011215268_200025704644 [0,1,0,0,0,0|2,0,0]=3 5079 B12R1.71 [13CH3]Sc1ccc(cc1)C#CCO 62a_200025704644_100009814260 [0,1,0,0,0,0|2,0,1]=4 5080 B12R1.71 [13CH3]Sc1ccc(cc1)CCCN 62a_100011297623_200025704644 [0,1,0,0,0,0|3,0,0]=4 5081 B12R1.71 [13CH3]Sc1ccc(cc1)CCCN 62a_200025704644_100011297623 [0,1,0,0,0,0|3,0,0]=4 5082 B12R1.71 [13CH3]Sc1ccc(cc1)CCCO 62a_100011709247_200025704644 [0,1,0,0,0,0|2,0,0]=3 5083 B12R1.71 [13CH3]Sc1ccc(cc1)CCCO 62a_200025704644_100011709247 [0,1,0,0,0,0|2,0,0]=3 5084 B12R1.71 [13CH3]Sc1ccc(cc1)OCC#N 62a_200000169425_200025704644 [0,1,0,0,0,0|2,0,1]=4 5085 B12R1.71 [13CH3]Sc1ccc(cc1)OCC#N 62a_200025704644_200000169425 [0,1,0,0,0,0|2,0,1]=4 5086 B12R1.71 [13CH3]Sc1ccc(cc1)OCCF 62a_100012347556_200025704644 [0,1,0,0,0,0|2,0,0]=3 5087 B12R1.71 [13CH3]Sc1ccc(cc1)OCCF 62a_200025704644_100012347556 [0,1,0,0,0,0|2,0,0]=3 5088 B12R1.71 [13CH3]Sc1ccc(cc1)OCCN 62a_100000746992_200025704644 [0,1,0,0,0,0|2,0,0]=3 5089 B12R1.71 [13CH3]Sc1ccc(cc1)OCCN 62a_200025704644_100000746992 [0,1,0,0,0,0|2,0,0]=3 5090 B12R1.71 [13CH3]Sc1ccc(cc1)OCCO 62a_100000686261_200025704644 [0,1,0,0,0,0|1,0,0]=2 5091 B12R1.71 [13CH3]Sc1ccc(cc1)OCCO 62a_200025704644_100000686261 [0,1,0,0,0,0|1,0,0]=2 5092 B12R1.71 [13CH3]Sc1ccc(cc1)SCCN 62a_100000184645_200025704644 [0,1,0,0,0,0|2,1,0]=4 5093 B12R1.71 [13CH3]Sc1ccc(cc1)SCCN 62a_200025704644_100000184645 [0,1,0,0,0,0|2,1,0]=4 5094 B12R1.71 [13CH3]Sc1ccc(cn1)OCCO 62a_200013150534_200025704644 [0,1,0,0,0,0|2,0,0]=3 5095 B12R1.71 [13CH3]Sc1ccc(cn1)OCCO 62a_200025704644_200013150534 [0,1,0,0,0,0|2,0,0]=3 5096 B12R1.385 C#CCNc1ccc(c(c1)Br)Cl 2230a_100000686031_100000038162 [0,1,0,0,0,0|2,0,1]=4 5097 B12R1.385 C#CCNc1ccc(c(c1)Br)Cl 34a_100000686031_100000184674 [0,1,0,0,0,0|2,0,1]=4 5098 B12R1.385 C#CCNc1ccc(c(c1)C)Cl 2230a_100000187808_100000038162 [0,1,0,0,0,0|2,0,1]=4 5099 B12R1.385 C#CCNc1ccc(c(c1)C)Cl 34a_100000187808_100000184674 [0,1,0,0,0,0|2,0,1]=4 5100 B12R1.385 C#CCNc1ccc(c(c1)C)Cl 7a_100000187808_100000038162 [0,1,0,0,0,0|2,0,1]=4 5101 B12R1.385 C#CCNc1ccc(c(c1)Cl)Cl 2230a_100000184108_100000038162 [0,1,0,0,0,0|2,0,1]=4 5102 B12R1.385 C#CCNc1ccc(c(c1)Cl)Cl 34a_100000184108_100000184674 [0,1,0,0,0,0|2,0,1]=4 5103 B12R1.385 C#CCNc1ccc(c(c1)F)Cl 2230a_100000739366_100000038162 [0,1,0,0,0,0|2,0,1]=4 5104 B12R1.385 C#CCNc1ccc(c(c1)F)Cl 34a_100000739366_100000184674 [0,1,0,0,0,0|2,0,1]=4 5105 B12R1.385 C#CCNc1ccc(c(c1)F)Cl 7a_100000739366_100000038162 [0,1,0,0,0,0|2,0,1]=4 5106 B12R1.385 C#CCNc1ccc(c(c1)I)Cl 34a_100012360549_100000184674 [0,1,0,0,0,0|2,0,1]=4 5107 B12R1.385 C#CCNc1ccc(c(c1)O)Cl 34a_100011934209_100000184674 [0,1,0,0,0,0|2,0,1]=4 5108 B12R1.385 C#CCOc1cc(c(cn1)Cl)C 34a_200000085746_100000184674 [0,1,0,0,0,0|2,0,1]=4 5109 B12R1.385 C#CCOc1cc(c(cn1)Cl)Cl 34a_200000099200_100000184674 [0,1,0,0,0,0|2,0,1]=4 5110 B12R1.385 C#CCOc1ccc(c(c1)Br)C 34a_100011380479_100000184674 [0,1,0,0,0,0|2,0,1]=4 5111 B12R1.385 C#CCOc1ccc(c(c1)Br)C 7a_100011380479_100000038162 [0,1,0,0,0,0|2,0,1]=4 5112 B12R1.385 C#CCOc1ccc(c(c1)Br)Cl 34a_100011933957_100000184674 [0,1,0,0,0,0|1,0,1]=3 5113 B12R1.385 C#CCOc1ccc(c(c1)Br)Cl 7a_100011933957_100000038162 [0,1,0,0,0,0|1,0,1]=3 5114 B12R1.385 C#CCOc1ccc(c(c1)Br)F 34a_100000693481_100000184674 [0,1,0,0,0,0|1,1,1]=4 5115 B12R1.385 C#CCOc1ccc(c(c1)Br)F 7a_100000693481_100000038162 [0,1,0,0,0,0|1,1,1]=4 5116 B12R1.385 C#CCOc1ccc(c(c1)Br)I 34a_100000701344_100000184674 [0,1,0,0,0,0|1,1,1]=4 5117 B12R1.385 C#CCOc1ccc(c(c1)Br)I 7a_100000701344_100000038162 [0,1,0,0,0,0|1,1,1]=4 5118 B12R1.385 C#CCOc1ccc(c(c1)Br)N 34a_100012001276_100000184674 [0,1,0,0,0,0|2,0,1]=4 5119 B12R1.385 C#CCOc1ccc(c(c1)Br)N 7a_100012001276_100000038162 [0,1,0,0,0,0|2,0,1]=4 5120 B12R1.385 C#CCOc1ccc(c(c1)C)Br 34a_100000690111_100000184674 [0,1,0,0,0,0|1,1,1]=4 5121 B12R1.385 C#CCOc1ccc(c(c1)C)Br 7a_100000690111_100000038162 [0,1,0,0,0,0|1,1,1]=4 5122 B12R1.385 C#CCOc1ccc(c(c1)C)C 34a_100000210932_100000184674 [0,1,0,0,0,0|2,0,1]=4 5123 B12R1.385 C#CCOc1ccc(c(c1)C)C 7a_100000210932_100000038162 [0,1,0,0,0,0|2,0,1]=4 5124 B12R1.385 C#CCOc1ccc(c(c1)C)Cl 34a_100000211092_100000184674 [0,1,0,0,0,0|1,0,1]=3 5125 B12R1.385 C#CCOc1ccc(c(c1)C)Cl 7a_100000211092_100000038162 [0,1,0,0,0,0|1,0,1]=3 5126 B12R1.385 C#CCOc1ccc(c(c1)C)F 34a_100000751312_100000184674 [0,1,0,0,0,0|1,1,1]=4 5127 B12R1.385 C#CCOc1ccc(c(c1)C)F 7a_100000751312_100000038162 [0,1,0,0,0,0|1,1,1]=4 5128 B12R1.385 C#CCOc1ccc(c(c1)C)I 34a_100000729255_100000184674 [0,1,0,0,0,0|1,1,1]=4 5129 B12R1.385 C#CCOc1ccc(c(c1)C)I 7a_100000729255_100000038162 [0,1,0,0,0,0|1,1,1]=4 5130 B12R1.385 C#CCOc1ccc(c(c1)C)N 34a_100000756630_100000184674 [0,1,0,0,0,0|2,0,1]=4 5131 B12R1.385 C#CCOc1ccc(c(c1)C)N 7a_100000756630_100000038162 [0,1,0,0,0,0|2,0,1]=4 5132 B12R1.385 C#CCOc1ccc(c(c1)Cl)Br 34a_100011215161_100000184674 [0,1,0,0,0,0|1,1,1]=4 5133 B12R1.385 C#CCOc1ccc(c(c1)Cl)Br 7a_100011215161_100000038162 [0,1,0,0,0,0|1,1,1]=4 5134 B12R1.385 C#CCOc1ccc(c(c1)Cl)C 34a_100011265682_100000184674 [0,1,0,0,0,0|2,0,1]=4 5135 B12R1.385 C#CCOc1ccc(c(c1)Cl)C 7a_100011265682_100000038162 [0,1,0,0,0,0|2,0,1]=4 5136 B12R1.385 C#CCOc1ccc(c(c1)Cl)Cl 34a_100000211054_100000184674 [0,1,0,0,0,0|1,0,1]=3 5137 B12R1.385 C#CCOc1ccc(c(c1)Cl)Cl 7a_100000211054_100000038162 [0,1,0,0,0,0|1,0,1]=3 5138 B12R1.385 C#CCOc1ccc(c(c1)Cl)F 34a_100000211030_100000184674 [0,1,0,0,0,0|1,1,1]=4 5139 B12R1.385 C#CCOc1ccc(c(c1)Cl)F 7a_100000211030_100000038162 [0,1,0,0,0,0|1,1,1]=4 5140 B12R1.385 C#CCOc1ccc(c(c1)Cl)I 34a_100000047559_100000184674 [0,1,0,0,0,0|1,1,1]=4 5141 B12R1.385 C#CCOc1ccc(c(c1)Cl)I 7a_100000047559_100000038162 [0,1,0,0,0,0|1,1,1]=4 5142 B12R1.385 C#CCOc1ccc(c(c1)Cl)N 34a_100011215599_100000184674 [0,1,0,0,0,0|2,0,1]=4 5143 B12R1.385 C#CCOc1ccc(c(c1)Cl)N 7a_100011215599_100000038162 [0,1,0,0,0,0|2,0,1]=4 5144 B12R1.385 C#CCOc1ccc(c(c1)F)Br 34a_100000755031_100000184674 [0,1,0,0,0,0|1,1,1]=4 5145 B12R1.385 C#CCOc1ccc(c(c1)F)Br 7a_100000755031_100000038162 [0,1,0,0,0,0|1,1,1]=4 5146 B12R1.385 C#CCOc1ccc(c(c1)F)C 34a_100000722560_100000184674 [0,1,0,0,0,0|2,0,1]=4 5147 B12R1.385 C#CCOc1ccc(c(c1)F)C 7a_100000722560_100000038162 [0,1,0,0,0,0|2,0,1]=4 5148 B12R1.385 C#CCOc1ccc(c(c1)F)Cl 34a_100000691581_100000184674 [0,1,0,0,0,0|1,0,1]=3 5149 B12R1.385 C#CCOc1ccc(c(c1)F)Cl 7a_100000691581_100000038162 [0,1,0,0,0,0|1,0,1]=3 5150 B12R1.385 C#CCOc1ccc(c(c1)F)F 34a_100000181275_100000184674 [0,1,0,0,0,0|1,1,1]=4 5151 B12R1.385 C#CCOc1ccc(c(c1)F)F 7a_100000181275_100000038162 [0,1,0,0,0,0|1,1,1]=4 5152 B12R1.385 C#CCOc1ccc(c(c1)F)I 34a_100009990212_100000184674 [0,1,0,0,0,0|1,1,1]=4 5153 B12R1.385 C#CCOc1ccc(c(c1)F)I 7a_100009990212_100000038162 [0,1,0,0,0,0|1,1,1]=4 5154 B12R1.385 C#CCOc1ccc(c(c1)F)N 34a_100000759473_100000184674 [0,1,0,0,0,0|2,0,1]=4 5155 B12R1.385 C#CCOc1ccc(c(c1)F)N 7a_100000759473_100000038162 [0,1,0,0,0,0|2,0,1]=4 5156 B12R1.385 C#CCOc1ccc(c(c1)I)Br 34a_100012339312_100000184674 [0,1,0,0,0,0|1,1,1]=4 5157 B12R1.385 C#CCOc1ccc(c(c1)I)Br 7a_100012339312_100000038162 [0,1,0,0,0,0|1,1,1]=4 5158 B12R1.385 C#CCOc1ccc(c(c1)I)Cl 34a_100000049588_100000184674 [0,1,0,0,0,0|1,0,1]=3 5159 B12R1.385 C#CCOc1ccc(c(c1)I)Cl 7a_100000049588_100000038162 [0,1,0,0,0,0|1,0,1]=3 5160 B12R1.385 C#CCOc1ccc(c(c1)I)N 34a_100010084370_100000184674 [0,1,0,0,0,0|2,0,1]=4 5161 B12R1.385 C#CCOc1ccc(c(c1)I)N 7a_100010084370_100000038162 [0,1,0,0,0,0|2,0,1]=4 5162 B12R1.385 C#CCOc1ccc(c(c1)N)Br 34a_100011999798_100000184674 [0,1,0,0,0,0|1,1,1]=4 5163 B12R1.385 C#CCOc1ccc(c(c1)N)Br 7a_100011999798_100000038162 [0,1,0,0,0,0|1,1,1]=4 5164 B12R1.385 C#CCOc1ccc(c(c1)N)C 34a_100011216113_100000184674 [0,1,0,0,0,0|2,0,1]=4 5165 B12R1.385 C#CCOc1ccc(c(c1)N)C 7a_100011216113_100000038162 [0,1,0,0,0,0|2,0,1]=4 5166 B12R1.385 C#CCOc1ccc(c(c1)N)Cl 34a_100011934297_100000184674 [0,1,0,0,0,0|1,0,1]=3 5167 B12R1.385 C#CCOc1ccc(c(c1)N)F 34a_100012017239_100000184674 [0,1,0,0,0,0|1,1,1]=4 5168 B12R1.385 C#CCOc1ccc(c(c1)N)F 7a_100012017239_100000038162 [0,1,0,0,0,0|1,1,1]=4 5169 B12R1.385 C#CCOc1ccc(c(c1)N)N 34a_100025771000_100000184674 [0,1,0,0,0,0|2,0,1]=4 5170 B12R1.385 C#CCOc1ccc(c(n1)C)Cl 34a_200009863735_100000184674 [0,1,0,0,0,0|2,0,1]=4 5171 B12R1.385 C#CCOc1cnc(c(c1)Br)Cl 34a_100012356455_100000184674 [0,1,0,0,0,0|2,0,1]=4 5172 B12R1.385 C#CCOc1cnc(c(c1)Br)Cl 7a_100012356455_100000038162 [0,1,0,0,0,0|2,0,1]=4 5173 B12R1.385 C#CCOc1cnc(c(c1)C)Cl 34a_100012002680_100000184674 [0,1,0,0,0,0|2,0,1]=4 5174 B12R1.385 C#CCOc1cnc(c(c1)C)Cl 7a_100012002680_100000038162 [0,1,0,0,0,0|2,0,1]=4 5175 B12R1.385 C#CCOc1cnc(c(c1)Cl)Cl 34a_100000094354_100000184674 [0,1,0,0,0,0|2,0,1]=4 5176 B12R1.385 C#CCOc1cnc(c(c1)Cl)Cl 7a_100000094354_100000038162 [0,1,0,0,0,0|2,0,1]=4 5177 B12R1.385 C#CCOc1cnc(c(c1)F)Cl 34a_100000063512_100000184674 [0,1,0,0,0,0|2,0,1]=4 5178 B12R1.385 C#CCOc1cnc(c(c1)F)Cl 7a_100000063512_100000038162 [0,1,0,0,0,0|2,0,1]=4 5179 B12R1.385 C#CCSc1ccc(c(c1)Br)Cl 62a_100000038162_100012353702 [0,1,0,0,0,0|1,1,1]=4 5180 B12R1.385 C#CCSc1ccc(c(c1)C)Cl 62a_100000038162_100000049509 [0,1,0,0,0,0|1,1,1]=4 5181 B12R1.385 C#CCSc1ccc(c(c1)Cl)Cl 62a_100000038162_100011214914 [0,1,0,0,0,0|1,1,1]=4 5182 B12R1.385 C#CCSc1ccc(c(c1)F)Cl 62a_100000038162_100011216805 [0,1,0,0,0,0|1,1,1]=4 5183 B12R1.385 C#CCSc1ccc(c(c1)N)Cl 62a_100000038162_200000761891 [0,1,0,0,0,0|1,1,1]=4 5184 B12R1.385 C#CCSc1ccc(c(c1)O)Cl 62a_100000038162_100011356854 [0,1,0,0,0,0|1,1,1]=4 5185 B12R1.385 C=CCNc1ccc(c(c1)Br)Cl 2230a_100000686031_100000210623 [0,1,0,0,0,0|2,0,1]=4 5186 B12R1.385 C=CCNc1ccc(c(c1)Br)Cl 34a_100000686031_100015514636 [0,1,0,0,0,0|2,0,1]=4 5187 B12R1.385 C=CCNc1ccc(c(c1)C)Cl 2230a_100000187808_100000210623 [0,1,0,0,0,0|2,0,1]=4 5188 B12R1.385 C=CCNc1ccc(c(c1)C)Cl 34a_100000187808_100015514636 [0,1,0,0,0,0|2,0,1]=4 5189 B12R1.385 C=CCNc1ccc(c(c1)C)Cl 7a_100000187808_100015514636 [0,1,0,0,0,0|2,0,1]=4 5190 B12R1.385 C=CCNc1ccc(c(c1)Cl)Cl 2230a_100000184108_100000210623 [0,1,0,0,0,0|2,0,1]=4 5191 B12R1.385 C=CCNc1ccc(c(c1)Cl)Cl 34a_100000184108_100015514636 [0,1,0,0,0,0|2,0,1]=4 5192 B12R1.385 C=CCNc1ccc(c(c1)F)Cl 2230a_100000739366_100000210623 [0,1,0,0,0,0|2,0,1]=4 5193 B12R1.385 C=CCNc1ccc(c(c1)F)Cl 34a_100000739366_100015514636 [0,1,0,0,0,0|2,0,1]=4 5194 B12R1.385 C=CCNc1ccc(c(c1)F)Cl 7a_100000739366_100015514636 [0,1,0,0,0,0|2,0,1]=4 5195 B12R1.385 C=CCNc1ccc(c(c1)I)Cl 34a_100012360549_100015514636 [0,1,0,0,0,0|2,0,1]=4 5196 B12R1.385 C=CCNc1ccc(c(c1)O)Cl 34a_100011934209_100015514636 [0,1,0,0,0,0|2,0,1]=4 5197 B12R1.385 C=CCOc1cc(c(cn1)Cl)C 34a_200000085746_100015514636 [0,1,0,0,0,0|2,0,1]=4 5198 B12R1.385 C=CCOc1cc(c(cn1)Cl)Cl 34a_200000099200_100015514636 [0,1,0,0,0,0|2,0,1]=4 5199 B12R1.385 C=CCOc1ccc(c(c1)Br)C 34a_100011380479_100015514636 [0,1,0,0,0,0|2,0,1]=4 5200 B12R1.385 C=CCOc1ccc(c(c1)Br)C 7a_100011380479_100015514636 [0,1,0,0,0,0|2,0,1]=4 5201 B12R1.385 C=CCOc1ccc(c(c1)Br)Cl 34a_100011933957_100015514636 [0,1,0,0,0,0|1,0,1]=3 5202 B12R1.385 C=CCOc1ccc(c(c1)Br)Cl 7a_100011933957_100015514636 [0,1,0,0,0,0|1,0,1]=3 5203 B12R1.385 C=CCOc1ccc(c(c1)Br)F 34a_100000693481_100015514636 [0,1,0,0,0,0|1,1,1]=4 5204 B12R1.385 C=CCOc1ccc(c(c1)Br)F 7a_100000693481_100015514636 [0,1,0,0,0,0|1,1,1]=4 5205 B12R1.385 C=CCOc1ccc(c(c1)Br)I 34a_100000701344_100015514636 [0,1,0,0,0,0|1,1,1]=4 5206 B12R1.385 C=CCOc1ccc(c(c1)Br)I 7a_100000701344_100015514636 [0,1,0,0,0,0|1,1,1]=4 5207 B12R1.385 C=CCOc1ccc(c(c1)Br)N 34a_100012001276_100015514636 [0,1,0,0,0,0|2,0,1]=4 5208 B12R1.385 C=CCOc1ccc(c(c1)Br)N 7a_100012001276_100015514636 [0,1,0,0,0,0|2,0,1]=4 5209 B12R1.385 C=CCOc1ccc(c(c1)C)Br 34a_100000690111_100015514636 [0,1,0,0,0,0|1,1,1]=4 5210 B12R1.385 C=CCOc1ccc(c(c1)C)Br 7a_100000690111_100015514636 [0,1,0,0,0,0|1,1,1]=4 5211 B12R1.385 C=CCOc1ccc(c(c1)C)C 34a_100000210932_100015514636 [0,1,0,0,0,0|2,0,1]=4 5212 B12R1.385 C=CCOc1ccc(c(c1)C)C 7a_100000210932_100015514636 [0,1,0,0,0,0|2,0,1]=4 5213 B12R1.385 C=CCOc1ccc(c(c1)C)Cl 34a_100000211092_100015514636 [0,1,0,0,0,0|1,0,1]=3 5214 B12R1.385 C=CCOc1ccc(c(c1)C)Cl 7a_100000211092_100015514636 [0,1,0,0,0,0|1,0,1]=3 5215 B12R1.385 C=CCOc1ccc(c(c1)C)F 34a_100000751312_100015514636 [0,1,0,0,0,0|1,1,1]=4 5216 B12R1.385 C=CCOc1ccc(c(c1)C)F 7a_100000751312_100015514636 [0,1,0,0,0,0|1,1,1]=4 5217 B12R1.385 C=CCOc1ccc(c(c1)C)I 34a_100000729255_100015514636 [0,1,0,0,0,0|1,1,1]=4 5218 B12R1.385 C=CCOc1ccc(c(c1)C)I 7a_100000729255_100015514636 [0,1,0,0,0,0|1,1,1]=4 5219 B12R1.385 C=CCOc1ccc(c(c1)C)N 34a_100000756630_100015514636 [0,1,0,0,0,0|2,0,1]=4 5220 B12R1.385 C=CCOc1ccc(c(c1)C)N 7a_100000756630_100015514636 [0,1,0,0,0,0|2,0,1]=4 5221 B12R1.385 C=CCOc1ccc(c(c1)Cl)Br 34a_100011215161_100015514636 [0,1,0,0,0,0|1,1,1]=4 5222 B12R1.385 C=CCOc1ccc(c(c1)Cl)Br 7a_100011215161_100015514636 [0,1,0,0,0,0|1,1,1]=4 5223 B12R1.385 C=CCOc1ccc(c(c1)Cl)C 34a_100011265682_100015514636 [0,1,0,0,0,0|2,0,1]=4 5224 B12R1.385 C=CCOc1ccc(c(c1)Cl)C 7a_100011265682_100015514636 [0,1,0,0,0,0|2,0,1]=4 5225 B12R1.385 C=CCOc1ccc(c(c1)Cl)Cl 34a_100000211054_100015514636 [0,1,0,0,0,0|1,0,1]=3 5226 B12R1.385 C=CCOc1ccc(c(c1)Cl)Cl 7a_100000211054_100015514636 [0,1,0,0,0,0|1,0,1]=3 5227 B12R1.385 C=CCOc1ccc(c(c1)Cl)F 34a_100000211030_100015514636 [0,1,0,0,0,0|1,1,1]=4 5228 B12R1.385 C=CCOc1ccc(c(c1)Cl)F 7a_100000211030_100015514636 [0,1,0,0,0,0|1,1,1]=4 5229 B12R1.385 C=CCOc1ccc(c(c1)Cl)I 34a_100000047559_100015514636 [0,1,0,0,0,0|1,1,1]=4 5230 B12R1.385 C=CCOc1ccc(c(c1)Cl)I 7a_100000047559_100015514636 [0,1,0,0,0,0|1,1,1]=4 5231 B12R1.385 C=CCOc1ccc(c(c1)Cl)N 34a_100011215599_100015514636 [0,1,0,0,0,0|2,0,1]=4 5232 B12R1.385 C=CCOc1ccc(c(c1)Cl)N 7a_100011215599_100015514636 [0,1,0,0,0,0|2,0,1]=4 5233 B12R1.385 C=CCOc1ccc(c(c1)F)Br 34a_100000755031_100015514636 [0,1,0,0,0,0|1,1,1]=4 5234 B12R1.385 C=CCOc1ccc(c(c1)F)Br 7a_100000755031_100015514636 [0,1,0,0,0,0|1,1,1]=4 5235 B12R1.385 C=CCOc1ccc(c(c1)F)C 34a_100000722560_100015514636 [0,1,0,0,0,0|2,0,1]=4 5236 B12R1.385 C=CCOc1ccc(c(c1)F)C 7a_100000722560_100015514636 [0,1,0,0,0,0|2,0,1]=4 5237 B12R1.385 C=CCOc1ccc(c(c1)F)Cl 34a_100000691581_100015514636 [0,1,0,0,0,0|1,0,1]=3 5238 B12R1.385 C=CCOc1ccc(c(c1)F)Cl 7a_100000691581_100015514636 [0,1,0,0,0,0|1,0,1]=3 5239 B12R1.385 C=CCOc1ccc(c(c1)F)F 34a_100000181275_100015514636 [0,1,0,0,0,0|1,1,1]=4 5240 B12R1.385 C=CCOc1ccc(c(c1)F)F 7a_100000181275_100015514636 [0,1,0,0,0,0|1,1,1]=4 5241 B12R1.385 C=CCOc1ccc(c(c1)F)I 34a_100009990212_100015514636 [0,1,0,0,0,0|1,1,1]=4 5242 B12R1.385 C=CCOc1ccc(c(c1)F)I 7a_100009990212_100015514636 [0,1,0,0,0,0|1,1,1]=4 5243 B12R1.385 C=CCOc1ccc(c(c1)F)N 34a_100000759473_100015514636 [0,1,0,0,0,0|2,0,1]=4 5244 B12R1.385 C=CCOc1ccc(c(c1)F)N 7a_100000759473_100015514636 [0,1,0,0,0,0|2,0,1]=4 5245 B12R1.385 C=CCOc1ccc(c(c1)I)Br 34a_100012339312_100015514636 [0,1,0,0,0,0|1,1,1]=4 5246 B12R1.385 C=CCOc1ccc(c(c1)I)Br 7a_100012339312_100015514636 [0,1,0,0,0,0|1,1,1]=4 5247 B12R1.385 C=CCOc1ccc(c(c1)I)Cl 34a_100000049588_100015514636 [0,1,0,0,0,0|1,0,1]=3 5248 B12R1.385 C=CCOc1ccc(c(c1)I)Cl 7a_100000049588_100015514636 [0,1,0,0,0,0|1,0,1]=3 5249 B12R1.385 C=CCOc1ccc(c(c1)I)N 34a_100010084370_100015514636 [0,1,0,0,0,0|2,0,1]=4 5250 B12R1.385 C=CCOc1ccc(c(c1)I)N 7a_100010084370_100015514636 [0,1,0,0,0,0|2,0,1]=4 5251 B12R1.385 C=CCOc1ccc(c(c1)N)Br 34a_100011999798_100015514636 [0,1,0,0,0,0|1,1,1]=4 5252 B12R1.385 C=CCOc1ccc(c(c1)N)Br 7a_100011999798_100015514636 [0,1,0,0,0,0|1,1,1]=4 5253 B12R1.385 C=CCOc1ccc(c(c1)N)C 34a_100011216113_100015514636 [0,1,0,0,0,0|2,0,1]=4 5254 B12R1.385 C=CCOc1ccc(c(c1)N)C 7a_100011216113_100015514636 [0,1,0,0,0,0|2,0,1]=4 5255 B12R1.385 C=CCOc1ccc(c(c1)N)Cl 34a_100011934297_100015514636 [0,1,0,0,0,0|1,0,1]=3 5256 B12R1.385 C=CCOc1ccc(c(c1)N)F 34a_100012017239_100015514636 [0,1,0,0,0,0|1,1,1]=4 5257 B12R1.385 C=CCOc1ccc(c(c1)N)F 7a_100012017239_100015514636 [0,1,0,0,0,0|1,1,1]=4 5258 B12R1.385 C=CCOc1ccc(c(c1)N)N 34a_100025771000_100015514636 [0,1,0,0,0,0|2,0,1]=4 5259 B12R1.385 C=CCOc1ccc(c(n1)C)Cl 34a_200009863735_100015514636 [0,1,0,0,0,0|2,0,1]=4 5260 B12R1.385 C=CCOc1cnc(c(c1)Br)Cl 34a_100012356455_100015514636 [0,1,0,0,0,0|2,0,1]=4 5261 B12R1.385 C=CCOc1cnc(c(c1)Br)Cl 7a_100012356455_100015514636 [0,1,0,0,0,0|2,0,1]=4 5262 B12R1.385 C=CCOc1cnc(c(c1)C)Cl 34a_100012002680_100015514636 [0,1,0,0,0,0|2,0,1]=4 5263 B12R1.385 C=CCOc1cnc(c(c1)C)Cl 7a_100012002680_100015514636 [0,1,0,0,0,0|2,0,1]=4 5264 B12R1.385 C=CCOc1cnc(c(c1)Cl)Cl 34a_100000094354_100015514636 [0,1,0,0,0,0|2,0,1]=4 5265 B12R1.385 C=CCOc1cnc(c(c1)Cl)Cl 7a_100000094354_100015514636 [0,1,0,0,0,0|2,0,1]=4 5266 B12R1.385 C=CCOc1cnc(c(c1)F)Cl 34a_100000063512_100015514636 [0,1,0,0,0,0|2,0,1]=4 5267 B12R1.385 C=CCOc1cnc(c(c1)F)Cl 7a_100000063512_100015514636 [0,1,0,0,0,0|2,0,1]=4 5268 B12R1.385 C=CCSc1ccc(c(c1)Br)Cl 62a_100000210623_100012353702 [0,1,0,0,0,0|1,1,1]=4 5269 B12R1.385 C=CCSc1ccc(c(c1)Br)Cl 62a_100012353702_100000210623 [0,1,0,0,0,0|1,1,1]=4 5270 B12R1.385 C=CCSc1ccc(c(c1)C)Cl 62a_100000049509_100000210623 [0,1,0,0,0,0|1,1,1]=4 5271 B12R1.385 C=CCSc1ccc(c(c1)C)Cl 62a_100000210623_100000049509 [0,1,0,0,0,0|1,1,1]=4 5272 B12R1.385 C=CCSc1ccc(c(c1)Cl)Cl 62a_100000210623_100011214914 [0,1,0,0,0,0|1,1,1]=4 5273 B12R1.385 C=CCSc1ccc(c(c1)Cl)Cl 62a_100011214914_100000210623 [0,1,0,0,0,0|1,1,1]=4 5274 B12R1.385 C=CCSc1ccc(c(c1)F)Cl 62a_100000210623_100011216805 [0,1,0,0,0,0|1,1,1]=4 5275 B12R1.385 C=CCSc1ccc(c(c1)F)Cl 62a_100011216805_100000210623 [0,1,0,0,0,0|1,1,1]=4 5276 B12R1.385 C=CCSc1ccc(c(c1)N)Cl 62a_100000210623_200000761891 [0,1,0,0,0,0|1,1,1]=4 5277 B12R1.385 C=CCSc1ccc(c(c1)N)Cl 62a_200000761891_100000210623 [0,1,0,0,0,0|1,1,1]=4 5278 B12R1.385 C=CCSc1ccc(c(c1)O)Cl 62a_100000210623_100011356854 [0,1,0,0,0,0|1,1,1]=4 5279 B12R1.385 C=CCSc1ccc(c(c1)O)Cl 62a_100011356854_100000210623 [0,1,0,0,0,0|1,1,1]=4 5280 B12R1.385 CCCCc1ccc(c(c1)Br)Br 271570a_100020621405_100012356285 [0,1,0,0,0,0|2,1,0]=4 5281 B12R1.385 CCCCc1ccc(c(c1)Br)C 271570a_100020621405_100011847877 [0,1,0,0,0,0|3,0,0]=4 5282 B12R1.385 CCCCc1ccc(c(c1)Br)Cl 271570a_100020621405_100012353702 [0,1,0,0,0,0|2,0,0]=3 5283 B12R1.385 CCCCc1ccc(c(c1)Br)F 271570a_100020621405_100012047266 [0,1,0,0,0,0|2,1,0]=4 5284 B12R1.385 CCCCc1ccc(c(c1)Br)N 271570a_100020621405_100000750455 [0,1,0,0,0,0|3,0,0]=4 5285 B12R1.385 CCCCc1ccc(c(c1)Br)O 271570a_100020621405_100012361655 [0,1,0,0,0,0|3,0,0]=4 5286 B12R1.385 CCCCc1ccc(c(c1)C)Br 271570a_100020621405_100009813585 [0,1,0,0,0,0|2,1,0]=4 5287 B12R1.385 CCCCc1ccc(c(c1)C)C 271570a_100020621405_100011215607 [0,1,0,0,0,0|3,0,0]=4 5288 B12R1.385 CCCCc1ccc(c(c1)C)Cl 271570a_100020621405_100000049509 [0,1,0,0,0,0|2,0,0]=3 5289 B12R1.385 CCCCc1ccc(c(c1)C)F 271570a_100020621405_100011218330 [0,1,0,0,0,0|2,1,0]=4 5290 B12R1.385 CCCCc1ccc(c(c1)C)N 271570a_100020621405_100000211769 [0,1,0,0,0,0|3,0,0]=4 5291 B12R1.385 CCCCc1ccc(c(c1)C)O 271570a_100020621405_100000186361 [0,1,0,0,0,0|3,0,0]=4 5292 B12R1.385 CCCCc1ccc(c(c1)Cl)Br 271570a_100020621405_100012047281 [0,1,0,0,0,0|2,1,0]=4 5293 B12R1.385 CCCCc1ccc(c(c1)Cl)C 271570a_100020621405_100011216363 [0,1,0,0,0,0|3,0,0]=4 5294 B12R1.385 CCCCc1ccc(c(c1)Cl)Cl 271570a_100020621405_100011214914 [0,1,0,0,0,0|2,0,0]=3 5295 B12R1.385 CCCCc1ccc(c(c1)Cl)F 271570a_100020621405_100011215976 [0,1,0,0,0,0|2,1,0]=4 5296 B12R1.385 CCCCc1ccc(c(c1)Cl)N 271570a_100020621405_100011218065 [0,1,0,0,0,0|3,0,0]=4 5297 B12R1.385 CCCCc1ccc(c(c1)Cl)O 271570a_100020621405_100012360047 [0,1,0,0,0,0|3,0,0]=4 5298 B12R1.385 CCCCc1ccc(c(c1)F)Br 271570a_100020621405_100000685389 [0,1,0,0,0,0|2,1,0]=4 5299 B12R1.385 CCCCc1ccc(c(c1)F)C 271570a_100020621405_100000720648 [0,1,0,0,0,0|3,0,0]=4 5300 B12R1.385 CCCCc1ccc(c(c1)F)Cl 271570a_100020621405_100011216805 [0,1,0,0,0,0|2,0,0]=3 5301 B12R1.385 CCCCc1ccc(c(c1)F)F 271570a_100020621405_100000750028 [0,1,0,0,0,0|2,1,0]=4 5302 B12R1.385 CCCCc1ccc(c(c1)F)N 271570a_100020621405_100011215594 [0,1,0,0,0,0|3,0,0]=4 5303 B12R1.385 CCCCc1ccc(c(c1)F)O 271570a_100020621405_100000185481 [0,1,0,0,0,0|3,0,0]=4 5304 B12R1.385 CCCCc1ccc(c(c1)N)Br 271570a_100020621405_100000750456 [0,1,0,0,0,0|2,1,0]=4 5305 B12R1.385 CCCCc1ccc(c(c1)N)C 271570a_100020621405_100000761890 [0,1,0,0,0,0|3,0,0]=4 5306 B12R1.385 CCCCc1ccc(c(c1)N)Cl 271570a_100020621405_200000761891 [0,1,0,0,0,0|2,0,0]=3 5307 B12R1.385 CCCCc1ccc(c(c1)N)F 271570a_100020621405_100000740924 [0,1,0,0,0,0|2,1,0]=4 5308 B12R1.385 CCCCc1ccc(c(c1)N)N 271570a_100020621405_100000741789 [0,1,0,0,0,0|3,0,0]=4 5309 B12R1.385 CCCCc1ccc(c(c1)N)O 271570a_100020621405_100000752626 [0,1,0,0,0,0|3,0,0]=4 5310 B12R1.385 CCCCc1ccc(c(c1)O)Br 271570a_100020621405_100012356990 [0,1,0,0,0,0|2,1,0]=4 5311 B12R1.385 CCCCc1ccc(c(c1)O)C 271570a_100020621405_100000766334 [0,1,0,0,0,0|3,0,0]=4 5312 B12R1.385 CCCCc1ccc(c(c1)O)Cl 271570a_100020621405_100011356854 [0,1,0,0,0,0|2,0,0]=3 5313 B12R1.385 CCCCc1ccc(c(c1)O)F 271570a_100020621405_100000686035 [0,1,0,0,0,0|2,1,0]=4 5314 B12R1.385 CCCCc1ccc(c(c1)O)N 271570a_100020621405_100000739049 [0,1,0,0,0,0|3,0,0]=4 5315 B12R1.385 CCCCc1ccc(c(c1)O)O 271570a_100020621405_100009813601 [0,1,0,0,0,0|3,0,0]=4 5316 B12R1.385 CCCCc1cnc(c(c1)Br)Cl 271570a_100020621405_100010172733 [0,1,0,0,0,0|3,0,0]=4 5317 B12R1.385 CCCCc1cnc(c(c1)C)Cl 271570a_100020621405_100009922867 [0,1,0,0,0,0|3,0,0]=4 5318 B12R1.385 CCCCc1cnc(c(c1)N)Cl 271570a_100020621405_100009828400 [0,1,0,0,0,0|3,0,0]=4 5319 B12R1.385 CCCNc1ccc(c(c1)Br)Br 2230a_100011306057_100000210303 [0,1,0,0,0,0|2,1,0]=4 5320 B12R1.385 CCCNc1ccc(c(c1)Br)Br 34a_100011306057_100000210303 [0,1,0,0,0,0|2,1,0]=4 5321 B12R1.385 CCCNc1ccc(c(c1)Br)Br 7a_100011306057_100000210303 [0,1,0,0,0,0|2,1,0]=4 5322 B12R1.385 CCCNc1ccc(c(c1)Br)C 2230a_100000736455_100000210303 [0,1,0,0,0,0|3,0,0]=4 5323 B12R1.385 CCCNc1ccc(c(c1)Br)C 34a_100000736455_100000210303 [0,1,0,0,0,0|3,0,0]=4 5324 B12R1.385 CCCNc1ccc(c(c1)Br)C 7a_100000736455_100000210303 [0,1,0,0,0,0|3,0,0]=4 5325 B12R1.385 CCCNc1ccc(c(c1)Br)Cl 2230a_100000686031_100000210303 [0,1,0,0,0,0|2,0,0]=3 5326 B12R1.385 CCCNc1ccc(c(c1)Br)Cl 34a_100000686031_100000210303 [0,1,0,0,0,0|2,0,0]=3 5327 B12R1.385 CCCNc1ccc(c(c1)Br)F 2230a_100000760356_100000210303 [0,1,0,0,0,0|2,1,0]=4 5328 B12R1.385 CCCNc1ccc(c(c1)Br)F 34a_100000760356_100000210303 [0,1,0,0,0,0|2,1,0]=4 5329 B12R1.385 CCCNc1ccc(c(c1)Br)F 7a_100000760356_100000210303 [0,1,0,0,0,0|2,1,0]=4 5330 B12R1.385 CCCNc1ccc(c(c1)Br)I 34a_100000750458_100000210303 [0,1,0,0,0,0|2,1,0]=4 5331 B12R1.385 CCCNc1ccc(c(c1)Br)O 34a_100011534360_100000210303 [0,1,0,0,0,0|3,0,0]=4 5332 B12R1.385 CCCNc1ccc(c(c1)C)Br 2230a_100000210723_100000210303 [0,1,0,0,0,0|2,1,0]=4 5333 B12R1.385 CCCNc1ccc(c(c1)C)Br 34a_100000210723_100000210303 [0,1,0,0,0,0|2,1,0]=4 5334 B12R1.385 CCCNc1ccc(c(c1)C)Br 7a_100000210723_100000210303 [0,1,0,0,0,0|2,1,0]=4 5335 B12R1.385 CCCNc1ccc(c(c1)C)C 2230a_100000724040_100000210303 [0,1,0,0,0,0|3,0,0]=4 5336 B12R1.385 CCCNc1ccc(c(c1)C)C 34a_100000724040_100000210303 [0,1,0,0,0,0|3,0,0]=4 5337 B12R1.385 CCCNc1ccc(c(c1)C)C 7a_100000724040_100000210303 [0,1,0,0,0,0|3,0,0]=4 5338 B12R1.385 CCCNc1ccc(c(c1)C)Cl 2230a_100000187808_100000210303 [0,1,0,0,0,0|2,0,0]=3 5339 B12R1.385 CCCNc1ccc(c(c1)C)Cl 34a_100000187808_100000210303 [0,1,0,0,0,0|2,0,0]=3 5340 B12R1.385 CCCNc1ccc(c(c1)C)Cl 7a_100000187808_100000210303 [0,1,0,0,0,0|2,0,0]=3 5341 B12R1.385 CCCNc1ccc(c(c1)C)F 2230a_100000750164_100000210303 [0,1,0,0,0,0|2,1,0]=4 5342 B12R1.385 CCCNc1ccc(c(c1)C)F 34a_100000750164_100000210303 [0,1,0,0,0,0|2,1,0]=4 5343 B12R1.385 CCCNc1ccc(c(c1)C)F 7a_100000750164_100000210303 [0,1,0,0,0,0|2,1,0]=4 5344 B12R1.385 CCCNc1ccc(c(c1)C)I 34a_100000198070_100000210303 [0,1,0,0,0,0|2,1,0]=4 5345 B12R1.385 CCCNc1ccc(c(c1)C)I 7a_100000198070_100000210303 [0,1,0,0,0,0|2,1,0]=4 5346 B12R1.385 CCCNc1ccc(c(c1)C)O 34a_100011218179_100000210303 [0,1,0,0,0,0|3,0,0]=4 5347 B12R1.385 CCCNc1ccc(c(c1)C)O 7a_100011218179_100000210303 [0,1,0,0,0,0|3,0,0]=4 5348 B12R1.385 CCCNc1ccc(c(c1)Cl)Br 2230a_100000687081_100000210303 [0,1,0,0,0,0|2,1,0]=4 5349 B12R1.385 CCCNc1ccc(c(c1)Cl)Br 34a_100000687081_100000210303 [0,1,0,0,0,0|2,1,0]=4 5350 B12R1.385 CCCNc1ccc(c(c1)Cl)Br 7a_100000687081_100000210303 [0,1,0,0,0,0|2,1,0]=4 5351 B12R1.385 CCCNc1ccc(c(c1)Cl)C 2230a_100000188892_100000210303 [0,1,0,0,0,0|3,0,0]=4 5352 B12R1.385 CCCNc1ccc(c(c1)Cl)C 34a_100000188892_100000210303 [0,1,0,0,0,0|3,0,0]=4 5353 B12R1.385 CCCNc1ccc(c(c1)Cl)C 7a_100000188892_100000210303 [0,1,0,0,0,0|3,0,0]=4 5354 B12R1.385 CCCNc1ccc(c(c1)Cl)Cl 2230a_100000184108_100000210303 [0,1,0,0,0,0|2,0,0]=3 5355 B12R1.385 CCCNc1ccc(c(c1)Cl)Cl 34a_100000184108_100000210303 [0,1,0,0,0,0|2,0,0]=3 5356 B12R1.385 CCCNc1ccc(c(c1)Cl)F 2230a_100000211060_100000210303 [0,1,0,0,0,0|2,1,0]=4 5357 B12R1.385 CCCNc1ccc(c(c1)Cl)F 34a_100000211060_100000210303 [0,1,0,0,0,0|2,1,0]=4 5358 B12R1.385 CCCNc1ccc(c(c1)Cl)F 7a_100000211060_100000210303 [0,1,0,0,0,0|2,1,0]=4 5359 B12R1.385 CCCNc1ccc(c(c1)Cl)I 34a_100000761885_100000210303 [0,1,0,0,0,0|2,1,0]=4 5360 B12R1.385 CCCNc1ccc(c(c1)Cl)O 34a_100000744943_100000210303 [0,1,0,0,0,0|3,0,0]=4 5361 B12R1.385 CCCNc1ccc(c(c1)F)Br 2230a_100000759894_100000210303 [0,1,0,0,0,0|2,1,0]=4 5362 B12R1.385 CCCNc1ccc(c(c1)F)Br 34a_100000759894_100000210303 [0,1,0,0,0,0|2,1,0]=4 5363 B12R1.385 CCCNc1ccc(c(c1)F)Br 7a_100000759894_100000210303 [0,1,0,0,0,0|2,1,0]=4 5364 B12R1.385 CCCNc1ccc(c(c1)F)C 2230a_100000210958_100000210303 [0,1,0,0,0,0|3,0,0]=4 5365 B12R1.385 CCCNc1ccc(c(c1)F)C 34a_100000210958_100000210303 [0,1,0,0,0,0|3,0,0]=4 5366 B12R1.385 CCCNc1ccc(c(c1)F)C 7a_100000210958_100000210303 [0,1,0,0,0,0|3,0,0]=4 5367 B12R1.385 CCCNc1ccc(c(c1)F)Cl 2230a_100000739366_100000210303 [0,1,0,0,0,0|2,0,0]=3 5368 B12R1.385 CCCNc1ccc(c(c1)F)Cl 34a_100000739366_100000210303 [0,1,0,0,0,0|2,0,0]=3 5369 B12R1.385 CCCNc1ccc(c(c1)F)Cl 7a_100000739366_100000210303 [0,1,0,0,0,0|2,0,0]=3 5370 B12R1.385 CCCNc1ccc(c(c1)F)F 2230a_100000210724_100000210303 [0,1,0,0,0,0|2,1,0]=4 5371 B12R1.385 CCCNc1ccc(c(c1)F)F 34a_100000210724_100000210303 [0,1,0,0,0,0|2,1,0]=4 5372 B12R1.385 CCCNc1ccc(c(c1)F)F 7a_100000210724_100000210303 [0,1,0,0,0,0|2,1,0]=4 5373 B12R1.385 CCCNc1ccc(c(c1)F)I 34a_100011356925_100000210303 [0,1,0,0,0,0|2,1,0]=4 5374 B12R1.385 CCCNc1ccc(c(c1)F)I 7a_100011356925_100000210303 [0,1,0,0,0,0|2,1,0]=4 5375 B12R1.385 CCCNc1ccc(c(c1)F)O 34a_100011220035_100000210303 [0,1,0,0,0,0|3,0,0]=4 5376 B12R1.385 CCCNc1ccc(c(c1)F)O 7a_100011220035_100000210303 [0,1,0,0,0,0|3,0,0]=4 5377 B12R1.385 CCCNc1ccc(c(c1)I)Br 34a_100000750459_100000210303 [0,1,0,0,0,0|2,1,0]=4 5378 B12R1.385 CCCNc1ccc(c(c1)I)C 34a_100000184131_100000210303 [0,1,0,0,0,0|3,0,0]=4 5379 B12R1.385 CCCNc1ccc(c(c1)I)C 7a_100000184131_100000210303 [0,1,0,0,0,0|3,0,0]=4 5380 B12R1.385 CCCNc1ccc(c(c1)I)Cl 34a_100012360549_100000210303 [0,1,0,0,0,0|2,0,0]=3 5381 B12R1.385 CCCNc1ccc(c(c1)I)F 34a_114828291077_100000210303 [0,1,0,0,0,0|2,1,0]=4 5382 B12R1.385 CCCNc1ccc(c(c1)I)F 7a_114828291077_100000210303 [0,1,0,0,0,0|2,1,0]=4 5383 B12R1.385 CCCNc1ccc(c(c1)O)C 34a_100000759471_100000210303 [0,1,0,0,0,0|3,0,0]=4 5384 B12R1.385 CCCNc1ccc(c(c1)O)C 7a_100000759471_100000210303 [0,1,0,0,0,0|3,0,0]=4 5385 B12R1.385 CCCNc1ccc(c(c1)O)Cl 34a_100011934209_100000210303 [0,1,0,0,0,0|2,0,0]=3 5386 B12R1.385 CCCNc1ccc(c(c1)O)F 34a_100012017398_100000210303 [0,1,0,0,0,0|2,1,0]=4 5387 B12R1.385 CCCNc1ccc(c(c1)O)F 7a_100012017398_100000210303 [0,1,0,0,0,0|2,1,0]=4 5388 B12R1.385 CCCNc1ccc(c(c1)O)O 34a_100102946323_100000210303 [0,1,0,0,0,0|3,0,0]=4 5389 B12R1.385 CCCOc1cc(c(cn1)Br)C 34a_100000766222_100000210303 [0,1,0,0,0,0|2,1,0]=4 5390 B12R1.385 CCCOc1cc(c(cn1)Br)Cl 34a_100010369989_100000210303 [0,1,0,0,0,0|2,1,0]=4 5391 B12R1.385 CCCOc1cc(c(cn1)C)Br 34a_100009831917_100000210303 [0,1,0,0,0,0|3,0,0]=4 5392 B12R1.385 CCCOc1cc(c(cn1)Cl)C 34a_200000085746_100000210303 [0,1,0,0,0,0|2,0,0]=3 5393 B12R1.385 CCCOc1cc(c(cn1)Cl)Cl 34a_200000099200_100000210303 [0,1,0,0,0,0|2,0,0]=3 5394 B12R1.385 CCCOc1ccc(c(c1)Br)C 34a_100011380479_100000210303 [0,1,0,0,0,0|2,0,0]=3 5395 B12R1.385 CCCOc1ccc(c(c1)Br)C 7a_100011380479_100000210303 [0,1,0,0,0,0|2,0,0]=3 5396 B12R1.385 CCCOc1ccc(c(c1)Br)Cl 34a_100011933957_100000210303 [0,1,0,0,0,0|1,0,0]=2 5397 B12R1.385 CCCOc1ccc(c(c1)Br)Cl 7a_100011933957_100000210303 [0,1,0,0,0,0|1,0,0]=2 5398 B12R1.385 CCCOc1ccc(c(c1)Br)F 34a_100000693481_100000210303 [0,1,0,0,0,0|1,1,0]=3 5399 B12R1.385 CCCOc1ccc(c(c1)Br)F 7a_100000693481_100000210303 [0,1,0,0,0,0|1,1,0]=3 5400 B12R1.385 CCCOc1ccc(c(c1)Br)I 34a_100000701344_100000210303 [0,1,0,0,0,0|1,1,0]=3 5401 B12R1.385 CCCOc1ccc(c(c1)Br)I 7a_100000701344_100000210303 [0,1,0,0,0,0|1,1,0]=3 5402 B12R1.385 CCCOc1ccc(c(c1)Br)N 34a_100012001276_100000210303 [0,1,0,0,0,0|2,0,0]=3 5403 B12R1.385 CCCOc1ccc(c(c1)Br)N 7a_100012001276_100000210303 [0,1,0,0,0,0|2,0,0]=3 5404 B12R1.385 CCCOc1ccc(c(c1)C)Br 34a_100000690111_100000210303 [0,1,0,0,0,0|1,1,0]=3 5405 B12R1.385 CCCOc1ccc(c(c1)C)Br 7a_100000690111_100000210303 [0,1,0,0,0,0|1,1,0]=3 5406 B12R1.385 CCCOc1ccc(c(c1)C)C 34a_100000210932_100000210303 [0,1,0,0,0,0|2,0,0]=3 5407 B12R1.385 CCCOc1ccc(c(c1)C)C 7a_100000210932_100000210303 [0,1,0,0,0,0|2,0,0]=3 5408 B12R1.385 CCCOc1ccc(c(c1)C)Cl 34a_100000211092_100000210303 [0,1,0,0,0,0|1,0,0]=2 5409 B12R1.385 CCCOc1ccc(c(c1)C)Cl 7a_100000211092_100000210303 [0,1,0,0,0,0|1,0,0]=2 5410 B12R1.385 CCCOc1ccc(c(c1)C)F 34a_100000751312_100000210303 [0,1,0,0,0,0|1,1,0]=3 5411 B12R1.385 CCCOc1ccc(c(c1)C)F 7a_100000751312_100000210303 [0,1,0,0,0,0|1,1,0]=3 5412 B12R1.385 CCCOc1ccc(c(c1)C)I 34a_100000729255_100000210303 [0,1,0,0,0,0|1,1,0]=3 5413 B12R1.385 CCCOc1ccc(c(c1)C)I 7a_100000729255_100000210303 [0,1,0,0,0,0|1,1,0]=3 5414 B12R1.385 CCCOc1ccc(c(c1)C)N 34a_100000756630_100000210303 [0,1,0,0,0,0|2,0,0]=3 5415 B12R1.385 CCCOc1ccc(c(c1)C)N 7a_100000756630_100000210303 [0,1,0,0,0,0|2,0,0]=3 5416 B12R1.385 CCCOc1ccc(c(c1)C)O 271570a_203496583355_200012361509 [0,1,0,0,0,0|2,0,0]=3 5417 B12R1.385 CCCOc1ccc(c(c1)Cl)Br 34a_100011215161_100000210303 [0,1,0,0,0,0|1,1,0]=3 5418 B12R1.385 CCCOc1ccc(c(c1)Cl)Br 7a_100011215161_100000210303 [0,1,0,0,0,0|1,1,0]=3 5419 B12R1.385 CCCOc1ccc(c(c1)Cl)C 34a_100011265682_100000210303 [0,1,0,0,0,0|2,0,0]=3 5420 B12R1.385 CCCOc1ccc(c(c1)Cl)C 7a_100011265682_100000210303 [0,1,0,0,0,0|2,0,0]=3 5421 B12R1.385 CCCOc1ccc(c(c1)Cl)Cl 34a_100000211054_100000210303 [0,1,0,0,0,0|1,0,0]=2 5422 B12R1.385 CCCOc1ccc(c(c1)Cl)Cl 7a_100000211054_100000210303 [0,1,0,0,0,0|1,0,0]=2 5423 B12R1.385 CCCOc1ccc(c(c1)Cl)F 34a_100000211030_100000210303 [0,1,0,0,0,0|1,1,0]=3 5424 B12R1.385 CCCOc1ccc(c(c1)Cl)F 7a_100000211030_100000210303 [0,1,0,0,0,0|1,1,0]=3 5425 B12R1.385 CCCOc1ccc(c(c1)Cl)I 34a_100000047559_100000210303 [0,1,0,0,0,0|1,1,0]=3 5426 B12R1.385 CCCOc1ccc(c(c1)Cl)I 7a_100000047559_100000210303 [0,1,0,0,0,0|1,1,0]=3 5427 B12R1.385 CCCOc1ccc(c(c1)Cl)N 34a_100011215599_100000210303 [0,1,0,0,0,0|2,0,0]=3 5428 B12R1.385 CCCOc1ccc(c(c1)Cl)N 7a_100011215599_100000210303 [0,1,0,0,0,0|2,0,0]=3 5429 B12R1.385 CCCOc1ccc(c(c1)F)Br 34a_100000755031_100000210303 [0,1,0,0,0,0|1,1,0]=3 5430 B12R1.385 CCCOc1ccc(c(c1)F)Br 7a_100000755031_100000210303 [0,1,0,0,0,0|1,1,0]=3 5431 B12R1.385 CCCOc1ccc(c(c1)F)C 34a_100000722560_100000210303 [0,1,0,0,0,0|2,0,0]=3 5432 B12R1.385 CCCOc1ccc(c(c1)F)C 7a_100000722560_100000210303 [0,1,0,0,0,0|2,0,0]=3 5433 B12R1.385 CCCOc1ccc(c(c1)F)Cl 34a_100000691581_100000210303 [0,1,0,0,0,0|1,0,0]=2 5434 B12R1.385 CCCOc1ccc(c(c1)F)Cl 7a_100000691581_100000210303 [0,1,0,0,0,0|1,0,0]=2 5435 B12R1.385 CCCOc1ccc(c(c1)F)F 34a_100000181275_100000210303 [0,1,0,0,0,0|1,1,0]=3 5436 B12R1.385 CCCOc1ccc(c(c1)F)F 7a_100000181275_100000210303 [0,1,0,0,0,0|1,1,0]=3 5437 B12R1.385 CCCOc1ccc(c(c1)F)I 34a_100009990212_100000210303 [0,1,0,0,0,0|1,1,0]=3 5438 B12R1.385 CCCOc1ccc(c(c1)F)I 7a_100009990212_100000210303 [0,1,0,0,0,0|1,1,0]=3 5439 B12R1.385 CCCOc1ccc(c(c1)F)N 34a_100000759473_100000210303 [0,1,0,0,0,0|2,0,0]=3 5440 B12R1.385 CCCOc1ccc(c(c1)F)N 7a_100000759473_100000210303 [0,1,0,0,0,0|2,0,0]=3 5441 B12R1.385 CCCOc1ccc(c(c1)F)O 271570a_203496583355_200012236930 [0,1,0,0,0,0|2,0,0]=3 5442 B12R1.385 CCCOc1ccc(c(c1)I)Br 34a_100012339312_100000210303 [0,1,0,0,0,0|1,1,0]=3 5443 B12R1.385 CCCOc1ccc(c(c1)I)Br 7a_100012339312_100000210303 [0,1,0,0,0,0|1,1,0]=3 5444 B12R1.385 CCCOc1ccc(c(c1)I)Cl 34a_100000049588_100000210303 [0,1,0,0,0,0|1,0,0]=2 5445 B12R1.385 CCCOc1ccc(c(c1)I)Cl 7a_100000049588_100000210303 [0,1,0,0,0,0|1,0,0]=2 5446 B12R1.385 CCCOc1ccc(c(c1)I)N 34a_100010084370_100000210303 [0,1,0,0,0,0|2,0,0]=3 5447 B12R1.385 CCCOc1ccc(c(c1)I)N 7a_100010084370_100000210303 [0,1,0,0,0,0|2,0,0]=3 5448 B12R1.385 CCCOc1ccc(c(c1)N)Br 34a_100011999798_100000210303 [0,1,0,0,0,0|1,1,0]=3 5449 B12R1.385 CCCOc1ccc(c(c1)N)Br 7a_100011999798_100000210303 [0,1,0,0,0,0|1,1,0]=3 5450 B12R1.385 CCCOc1ccc(c(c1)N)C 34a_100011216113_100000210303 [0,1,0,0,0,0|2,0,0]=3 5451 B12R1.385 CCCOc1ccc(c(c1)N)C 7a_100011216113_100000210303 [0,1,0,0,0,0|2,0,0]=3 5452 B12R1.385 CCCOc1ccc(c(c1)N)Cl 34a_100011934297_100000210303 [0,1,0,0,0,0|1,0,0]=2 5453 B12R1.385 CCCOc1ccc(c(c1)N)F 34a_100012017239_100000210303 [0,1,0,0,0,0|1,1,0]=3 5454 B12R1.385 CCCOc1ccc(c(c1)N)F 7a_100012017239_100000210303 [0,1,0,0,0,0|1,1,0]=3 5455 B12R1.385 CCCOc1ccc(c(c1)N)N 34a_100025771000_100000210303 [0,1,0,0,0,0|2,0,0]=3 5456 B12R1.385 CCCOc1ccc(c(n1)C)Br 34a_100000691680_100000210303 [0,1,0,0,0,0|2,1,0]=4 5457 B12R1.385 CCCOc1ccc(c(n1)C)Cl 34a_200009863735_100000210303 [0,1,0,0,0,0|2,0,0]=3 5458 B12R1.385 CCCOc1ccc(c(n1)C)O 271570a_203496583355_200012343549 [0,1,0,0,0,0|3,0,0]=4 5459 B12R1.385 CCCOc1ccc(c(n1)F)Br 34a_100009879308_100000210303 [0,1,0,0,0,0|2,1,0]=4 5460 B12R1.385 CCCOc1cnc(c(c1)Br)C 34a_100009819603_100000210303 [0,1,0,0,0,0|3,0,0]=4 5461 B12R1.385 CCCOc1cnc(c(c1)Br)C 7a_100009819603_100000210303 [0,1,0,0,0,0|3,0,0]=4 5462 B12R1.385 CCCOc1cnc(c(c1)Br)Cl 34a_100012356455_100000210303 [0,1,0,0,0,0|2,0,0]=3 5463 B12R1.385 CCCOc1cnc(c(c1)Br)Cl 7a_100012356455_100000210303 [0,1,0,0,0,0|2,0,0]=3 5464 B12R1.385 CCCOc1cnc(c(c1)Br)F 34a_100009817267_100000210303 [0,1,0,0,0,0|2,1,0]=4 5465 B12R1.385 CCCOc1cnc(c(c1)Br)F 7a_100009817267_100000210303 [0,1,0,0,0,0|2,1,0]=4 5466 B12R1.385 CCCOc1cnc(c(c1)C)Br 34a_100012000486_100000210303 [0,1,0,0,0,0|2,1,0]=4 5467 B12R1.385 CCCOc1cnc(c(c1)C)Br 7a_100012000486_100000210303 [0,1,0,0,0,0|2,1,0]=4 5468 B12R1.385 CCCOc1cnc(c(c1)C)C 34a_100009854398_100000210303 [0,1,0,0,0,0|3,0,0]=4 5469 B12R1.385 CCCOc1cnc(c(c1)C)C 7a_100009854398_100000210303 [0,1,0,0,0,0|3,0,0]=4 5470 B12R1.385 CCCOc1cnc(c(c1)C)Cl 34a_100012002680_100000210303 [0,1,0,0,0,0|2,0,0]=3 5471 B12R1.385 CCCOc1cnc(c(c1)C)Cl 7a_100012002680_100000210303 [0,1,0,0,0,0|2,0,0]=3 5472 B12R1.385 CCCOc1cnc(c(c1)C)F 34a_100000094615_100000210303 [0,1,0,0,0,0|2,1,0]=4 5473 B12R1.385 CCCOc1cnc(c(c1)C)F 7a_100000094615_100000210303 [0,1,0,0,0,0|2,1,0]=4 5474 B12R1.385 CCCOc1cnc(c(c1)Cl)Br 34a_100010209684_100000210303 [0,1,0,0,0,0|2,1,0]=4 5475 B12R1.385 CCCOc1cnc(c(c1)Cl)Br 7a_100010209684_100000210303 [0,1,0,0,0,0|2,1,0]=4 5476 B12R1.385 CCCOc1cnc(c(c1)Cl)Cl 34a_100000094354_100000210303 [0,1,0,0,0,0|2,0,0]=3 5477 B12R1.385 CCCOc1cnc(c(c1)Cl)Cl 7a_100000094354_100000210303 [0,1,0,0,0,0|2,0,0]=3 5478 B12R1.385 CCCOc1cnc(c(c1)Cl)F 34a_100000087088_100000210303 [0,1,0,0,0,0|2,1,0]=4 5479 B12R1.385 CCCOc1cnc(c(c1)Cl)F 7a_100000087088_100000210303 [0,1,0,0,0,0|2,1,0]=4 5480 B12R1.385 CCCOc1cnc(c(c1)F)Cl 34a_100000063512_100000210303 [0,1,0,0,0,0|2,0,0]=3 5481 B12R1.385 CCCOc1cnc(c(c1)F)Cl 7a_100000063512_100000210303 [0,1,0,0,0,0|2,0,0]=3 5482 B12R1.385 CCCSc1ccc(c(c1)Br)Br 62a_100000210303_100012356285 [0,1,0,0,0,0|1,2,0]=4 5483 B12R1.385 CCCSc1ccc(c(c1)Br)Br 62a_100012356285_100000210303 [0,1,0,0,0,0|1,2,0]=4 5484 B12R1.385 CCCSc1ccc(c(c1)Br)C 62a_100000210303_100011847877 [0,1,0,0,0,0|2,1,0]=4 5485 B12R1.385 CCCSc1ccc(c(c1)Br)C 62a_100011847877_100000210303 [0,1,0,0,0,0|2,1,0]=4 5486 B12R1.385 CCCSc1ccc(c(c1)Br)Cl 62a_100000210303_100012353702 [0,1,0,0,0,0|1,1,0]=3 5487 B12R1.385 CCCSc1ccc(c(c1)Br)Cl 62a_100012353702_100000210303 [0,1,0,0,0,0|1,1,0]=3 5488 B12R1.385 CCCSc1ccc(c(c1)Br)F 62a_100000210303_100012047266 [0,1,0,0,0,0|1,2,0]=4 5489 B12R1.385 CCCSc1ccc(c(c1)Br)F 62a_100012047266_100000210303 [0,1,0,0,0,0|1,2,0]=4 5490 B12R1.385 CCCSc1ccc(c(c1)Br)N 62a_100000210303_100000750455 [0,1,0,0,0,0|2,1,0]=4 5491 B12R1.385 CCCSc1ccc(c(c1)Br)N 62a_100000750455_100000210303 [0,1,0,0,0,0|2,1,0]=4 5492 B12R1.385 CCCSc1ccc(c(c1)Br)O 62a_100000210303_100012361655 [0,1,0,0,0,0|2,1,0]=4 5493 B12R1.385 CCCSc1ccc(c(c1)Br)O 62a_100012361655_100000210303 [0,1,0,0,0,0|2,1,0]=4 5494 B12R1.385 CCCSc1ccc(c(c1)C)Br 62a_100000210303_100009813585 [0,1,0,0,0,0|1,2,0]=4 5495 B12R1.385 CCCSc1ccc(c(c1)C)Br 62a_100009813585_100000210303 [0,1,0,0,0,0|1,2,0]=4 5496 B12R1.385 CCCSc1ccc(c(c1)C)C 62a_100000210303_100011215607 [0,1,0,0,0,0|2,1,0]=4 5497 B12R1.385 CCCSc1ccc(c(c1)C)C 62a_100011215607_100000210303 [0,1,0,0,0,0|2,1,0]=4 5498 B12R1.385 CCCSc1ccc(c(c1)C)Cl 62a_100000049509_100000210303 [0,1,0,0,0,0|1,1,0]=3 5499 B12R1.385 CCCSc1ccc(c(c1)C)Cl 62a_100000210303_100000049509 [0,1,0,0,0,0|1,1,0]=3 5500 B12R1.385 CCCSc1ccc(c(c1)C)F 62a_100000210303_100011218330 [0,1,0,0,0,0|1,2,0]=4 5501 B12R1.385 CCCSc1ccc(c(c1)C)F 62a_100011218330_100000210303 [0,1,0,0,0,0|1,2,0]=4 5502 B12R1.385 CCCSc1ccc(c(c1)C)N 62a_100000210303_100000211769 [0,1,0,0,0,0|2,1,0]=4 5503 B12R1.385 CCCSc1ccc(c(c1)C)N 62a_100000211769_100000210303 [0,1,0,0,0,0|2,1,0]=4 5504 B12R1.385 CCCSc1ccc(c(c1)C)O 62a_100000210303_100000186361 [0,1,0,0,0,0|2,1,0]=4 5505 B12R1.385 CCCSc1ccc(c(c1)Cl)Br 62a_100000210303_100012047281 [0,1,0,0,0,0|1,2,0]=4 5506 B12R1.385 CCCSc1ccc(c(c1)Cl)Br 62a_100012047281_100000210303 [0,1,0,0,0,0|1,2,0]=4 5507 B12R1.385 CCCSc1ccc(c(c1)Cl)C 62a_100000210303_100011216363 [0,1,0,0,0,0|2,1,0]=4 5508 B12R1.385 CCCSc1ccc(c(c1)Cl)C 62a_100011216363_100000210303 [0,1,0,0,0,0|2,1,0]=4 5509 B12R1.385 CCCSc1ccc(c(c1)Cl)Cl 62a_100000210303_100011214914 [0,1,0,0,0,0|1,1,0]=3 5510 B12R1.385 CCCSc1ccc(c(c1)Cl)Cl 62a_100011214914_100000210303 [0,1,0,0,0,0|1,1,0]=3 5511 B12R1.385 CCCSc1ccc(c(c1)Cl)F 62a_100000210303_100011215976 [0,1,0,0,0,0|1,2,0]=4 5512 B12R1.385 CCCSc1ccc(c(c1)Cl)F 62a_100011215976_100000210303 [0,1,0,0,0,0|1,2,0]=4 5513 B12R1.385 CCCSc1ccc(c(c1)Cl)N 62a_100000210303_100011218065 [0,1,0,0,0,0|2,1,0]=4 5514 B12R1.385 CCCSc1ccc(c(c1)Cl)N 62a_100011218065_100000210303 [0,1,0,0,0,0|2,1,0]=4 5515 B12R1.385 CCCSc1ccc(c(c1)Cl)O 62a_100000210303_100012360047 [0,1,0,0,0,0|2,1,0]=4 5516 B12R1.385 CCCSc1ccc(c(c1)Cl)O 62a_100012360047_100000210303 [0,1,0,0,0,0|2,1,0]=4 5517 B12R1.385 CCCSc1ccc(c(c1)F)Br 62a_100000210303_100000685389 [0,1,0,0,0,0|1,2,0]=4 5518 B12R1.385 CCCSc1ccc(c(c1)F)Br 62a_100000685389_100000210303 [0,1,0,0,0,0|1,2,0]=4 5519 B12R1.385 CCCSc1ccc(c(c1)F)C 62a_100000210303_100000720648 [0,1,0,0,0,0|2,1,0]=4 5520 B12R1.385 CCCSc1ccc(c(c1)F)C 62a_100000720648_100000210303 [0,1,0,0,0,0|2,1,0]=4 5521 B12R1.385 CCCSc1ccc(c(c1)F)Cl 62a_100000210303_100011216805 [0,1,0,0,0,0|1,1,0]=3 5522 B12R1.385 CCCSc1ccc(c(c1)F)Cl 62a_100011216805_100000210303 [0,1,0,0,0,0|1,1,0]=3 5523 B12R1.385 CCCSc1ccc(c(c1)F)F 62a_100000210303_100000703953 [0,1,0,0,0,0|1,2,0]=4 5524 B12R1.385 CCCSc1ccc(c(c1)F)F 62a_100000703953_100000210303 [0,1,0,0,0,0|1,2,0]=4 5525 B12R1.385 CCCSc1ccc(c(c1)F)N 62a_100000210303_100011215594 [0,1,0,0,0,0|2,1,0]=4 5526 B12R1.385 CCCSc1ccc(c(c1)F)N 62a_100011215594_100000210303 [0,1,0,0,0,0|2,1,0]=4 5527 B12R1.385 CCCSc1ccc(c(c1)F)O 62a_100000185481_100000210303 [0,1,0,0,0,0|2,1,0]=4 5528 B12R1.385 CCCSc1ccc(c(c1)F)O 62a_100000210303_100000185481 [0,1,0,0,0,0|2,1,0]=4 5529 B12R1.385 CCCSc1ccc(c(c1)N)Br 62a_100000210303_100000750456 [0,1,0,0,0,0|1,2,0]=4 5530 B12R1.385 CCCSc1ccc(c(c1)N)Br 62a_100000750456_100000210303 [0,1,0,0,0,0|1,2,0]=4 5531 B12R1.385 CCCSc1ccc(c(c1)N)C 62a_100000210303_100000761890 [0,1,0,0,0,0|2,1,0]=4 5532 B12R1.385 CCCSc1ccc(c(c1)N)C 62a_100000761890_100000210303 [0,1,0,0,0,0|2,1,0]=4 5533 B12R1.385 CCCSc1ccc(c(c1)N)Cl 62a_100000210303_200000761891 [0,1,0,0,0,0|1,1,0]=3 5534 B12R1.385 CCCSc1ccc(c(c1)N)Cl 62a_200000761891_100000210303 [0,1,0,0,0,0|1,1,0]=3 5535 B12R1.385 CCCSc1ccc(c(c1)N)F 62a_100000210303_100000740924 [0,1,0,0,0,0|1,2,0]=4 5536 B12R1.385 CCCSc1ccc(c(c1)N)F 62a_100000740924_100000210303 [0,1,0,0,0,0|1,2,0]=4 5537 B12R1.385 CCCSc1ccc(c(c1)N)N 62a_100000210303_100011534411 [0,1,0,0,0,0|2,1,0]=4 5538 B12R1.385 CCCSc1ccc(c(c1)N)N 62a_100000741789_100000210303 [0,1,0,0,0,0|2,1,0]=4 5539 B12R1.385 CCCSc1ccc(c(c1)N)O 62a_100000210303_100000752626 [0,1,0,0,0,0|2,1,0]=4 5540 B12R1.385 CCCSc1ccc(c(c1)N)O 62a_100000752626_100000210303 [0,1,0,0,0,0|2,1,0]=4 5541 B12R1.385 CCCSc1ccc(c(c1)O)Br 62a_100000210303_100012356990 [0,1,0,0,0,0|1,2,0]=4 5542 B12R1.385 CCCSc1ccc(c(c1)O)Br 62a_100012356990_100000210303 [0,1,0,0,0,0|1,2,0]=4 5543 B12R1.385 CCCSc1ccc(c(c1)O)C 62a_100000210303_100000685420 [0,1,0,0,0,0|2,1,0]=4 5544 B12R1.385 CCCSc1ccc(c(c1)O)C 62a_100000685420_100000210303 [0,1,0,0,0,0|2,1,0]=4 5545 B12R1.385 CCCSc1ccc(c(c1)O)Cl 62a_100000210303_100011356854 [0,1,0,0,0,0|1,1,0]=3 5546 B12R1.385 CCCSc1ccc(c(c1)O)Cl 62a_100011356854_100000210303 [0,1,0,0,0,0|1,1,0]=3 5547 B12R1.385 CCCSc1ccc(c(c1)O)F 62a_100000210303_100000686035 [0,1,0,0,0,0|1,2,0]=4 5548 B12R1.385 CCCSc1ccc(c(c1)O)F 62a_100000686035_100000210303 [0,1,0,0,0,0|1,2,0]=4 5549 B12R1.385 CCCSc1ccc(c(c1)O)N 62a_100000210303_100000739049 [0,1,0,0,0,0|2,1,0]=4 5550 B12R1.385 CCCSc1ccc(c(c1)O)N 62a_100000739049_100000210303 [0,1,0,0,0,0|2,1,0]=4 5551 B12R1.385 CCCSc1ccc(c(c1)O)O 62a_100000210303_100009813601 [0,1,0,0,0,0|2,1,0]=4 5552 B12R1.385 CCCSc1cnc(c(c1)Br)Cl 62a_100000210303_100010172733 [0,1,0,0,0,0|2,1,0]=4 5553 B12R1.385 CCCSc1cnc(c(c1)Br)Cl 62a_100010172733_100000210303 [0,1,0,0,0,0|2,1,0]=4 5554 B12R1.385 CCCSc1cnc(c(c1)C)Cl 62a_100000210303_100009922867 [0,1,0,0,0,0|2,1,0]=4 5555 B12R1.385 CCCSc1cnc(c(c1)C)Cl 62a_100009922867_100000210303 [0,1,0,0,0,0|2,1,0]=4 5556 B12R1.385 CCCSc1cnc(c(c1)N)Cl 62a_100000210303_100009828400 [0,1,0,0,0,0|2,1,0]=4 5557 B12R1.385 CCCSc1cnc(c(c1)N)Cl 62a_100009828400_100000210303 [0,1,0,0,0,0|2,1,0]=4 5558 B12R1.385 CCNCc1ccc(c(c1)Br)Cl 207a_100015525214_100000693810 [0,1,0,0,0,0|3,0,0]=4 5559 B12R1.385 CCNCc1ccc(c(c1)Br)Cl 2230a_100012349490_100000210202 [0,1,0,0,0,0|3,0,0]=4 5560 B12R1.385 CCNCc1ccc(c(c1)Br)Cl 2230a_100015525214_100012353894 [0,1,0,0,0,0|3,0,0]=4 5561 B12R1.385 CCNCc1ccc(c(c1)Br)Cl 270004a_100015525214_100000693810 [0,1,0,0,0,0|3,0,0]=4 5562 B12R1.385 CCNCc1ccc(c(c1)Br)Cl 34a_100012349490_100000210202 [0,1,0,0,0,0|3,0,0]=4 5563 B12R1.385 CCNCc1ccc(c(c1)C)Cl 207a_100015525214_100000698814 [0,1,0,0,0,0|3,0,0]=4 5564 B12R1.385 CCNCc1ccc(c(c1)C)Cl 2230a_100015525214_100012184735 [0,1,0,0,0,0|3,0,0]=4 5565 B12R1.385 CCNCc1ccc(c(c1)C)Cl 270004a_100015525214_100000698814 [0,1,0,0,0,0|3,0,0]=4 5566 B12R1.385 CCNCc1ccc(c(c1)Cl)Cl 207a_100015525214_100000188533 [0,1,0,0,0,0|3,0,0]=4 5567 B12R1.385 CCNCc1ccc(c(c1)Cl)Cl 2230a_100000174881_100000210202 [0,1,0,0,0,0|3,0,0]=4 5568 B12R1.385 CCNCc1ccc(c(c1)Cl)Cl 2230a_100015525214_100000184707 [0,1,0,0,0,0|3,0,0]=4 5569 B12R1.385 CCNCc1ccc(c(c1)Cl)Cl 270004a_100015525214_100000188533 [0,1,0,0,0,0|3,0,0]=4 5570 B12R1.385 CCNCc1ccc(c(c1)Cl)Cl 34a_100000174881_100000210202 [0,1,0,0,0,0|3,0,0]=4 5571 B12R1.385 CCNCc1ccc(c(c1)F)Cl 207a_100015525214_100000745630 [0,1,0,0,0,0|3,0,0]=4 5572 B12R1.385 CCNCc1ccc(c(c1)F)Cl 2230a_100011219866_100000210202 [0,1,0,0,0,0|3,0,0]=4 5573 B12R1.385 CCNCc1ccc(c(c1)F)Cl 2230a_100015525214_100000716492 [0,1,0,0,0,0|3,0,0]=4 5574 B12R1.385 CCNCc1ccc(c(c1)F)Cl 270004a_100015525214_100000745630 [0,1,0,0,0,0|3,0,0]=4 5575 B12R1.385 CCNCc1ccc(c(c1)F)Cl 34a_100011219866_100000210202 [0,1,0,0,0,0|3,0,0]=4 5576 B12R1.385 CCNCc1ccc(c(c1)I)Cl 207a_100015525214_100010209939 [0,1,0,0,0,0|3,0,0]=4 5577 B12R1.385 CCNCc1ccc(c(c1)I)Cl 270004a_100015525214_100010209939 [0,1,0,0,0,0|3,0,0]=4 5578 B12R1.385 CCNCc1ccc(c(c1)O)Cl 34a_100020636435_100000210202 [0,1,0,0,0,0|3,0,0]=4 5579 B12R1.385 CCOCc1ccc(c(c1)Br)Cl 34a_100012353893_100000210202 [0,1,0,0,0,0|3,0,0]=4 5580 B12R1.385 CCOCc1ccc(c(c1)Br)Cl 34a_100121572206_100012353894 [0,1,0,0,0,0|3,0,0]=4 5581 B12R1.385 CCOCc1ccc(c(c1)Br)Cl 7a_100012353893_100000210202 [0,1,0,0,0,0|3,0,0]=4 5582 B12R1.385 CCOCc1ccc(c(c1)C)Cl 34a_100121572206_100012184735 [0,1,0,0,0,0|3,0,0]=4 5583 B12R1.385 CCOCc1ccc(c(c1)Cl)Cl 34a_100000211588_100000210202 [0,1,0,0,0,0|3,0,0]=4 5584 B12R1.385 CCOCc1ccc(c(c1)Cl)Cl 34a_100121572206_100000184707 [0,1,0,0,0,0|3,0,0]=4 5585 B12R1.385 CCOCc1ccc(c(c1)Cl)Cl 7a_100000211588_100000210202 [0,1,0,0,0,0|3,0,0]=4 5586 B12R1.385 CCOCc1ccc(c(c1)F)Cl 34a_100011218299_100000210202 [0,1,0,0,0,0|3,0,0]=4 5587 B12R1.385 CCOCc1ccc(c(c1)F)Cl 34a_100121572206_100011519011 [0,1,0,0,0,0|3,0,0]=4 5588 B12R1.385 CCOCc1ccc(c(c1)F)Cl 7a_100011218299_100000210202 [0,1,0,0,0,0|3,0,0]=4 5589 B12R1.385 CCOCc1ccc(c(c1)N)Cl 34a_106256033963_100000210202 [0,1,0,0,0,0|3,0,0]=4 5590 B12R1.385 CCSCc1ccc(c(c1)Br)Cl 62a_100000210202_100012353894 [0,1,0,0,0,0|3,0,0]=4 5591 B12R1.385 CCSCc1ccc(c(c1)Br)Cl 62a_100012353894_100000210202 [0,1,0,0,0,0|3,0,0]=4 5592 B12R1.385 CCSCc1ccc(c(c1)C)Cl 62a_100000210202_100012184735 [0,1,0,0,0,0|3,0,0]=4 5593 B12R1.385 CCSCc1ccc(c(c1)C)Cl 62a_100012184735_100000210202 [0,1,0,0,0,0|3,0,0]=4 5594 B12R1.385 CCSCc1ccc(c(c1)Cl)Cl 62a_100000184707_100000210202 [0,1,0,0,0,0|3,0,0]=4 5595 B12R1.385 CCSCc1ccc(c(c1)Cl)Cl 62a_100000210202_100000184707 [0,1,0,0,0,0|3,0,0]=4 5596 B12R1.385 CCSCc1ccc(c(c1)F)Cl 62a_100000210202_100000716492 [0,1,0,0,0,0|3,0,0]=4 5597 B12R1.385 CCSCc1ccc(c(c1)F)Cl 62a_100000716492_100000210202 [0,1,0,0,0,0|3,0,0]=4 5598 B12R1.385 CNCCc1ccc(c(c1)Cl)Cl 2230a_100011207230_200000210301 [0,1,0,0,0,0|3,0,0]=4 5599 B12R1.385 CNCCc1ccc(c(c1)Cl)Cl 2230a_106832991635_100011713676 [0,1,0,0,0,0|3,0,0]=4 5600 B12R1.385 CNCCc1ccc(c(c1)Cl)Cl 34a_100011207230_200000210301 [0,1,0,0,0,0|3,0,0]=4 5601 B12R1.385 CNCCc1ccc(c(c1)Cl)Cl 34a_100102657272_100011713676 [0,1,0,0,0,0|3,0,0]=4 5602 B12R1.385 CNCCc1ccc(c(c1)Cl)Cl 7a_106832991635_100011713676 [0,1,0,0,0,0|3,0,0]=4 5603 B12R1.385 COCCc1ccc(c(c1)Cl)Cl 34a_100011709245_200000210301 [0,1,0,0,0,0|3,0,0]=4 5604 B12R1.385 COCCc1ccc(c(c1)Cl)Cl 34a_100138415774_100011713676 [0,1,0,0,0,0|3,0,0]=4 5605 B12R1.385 COCCc1ccc(c(c1)Cl)Cl 7a_100011709245_200000210301 [0,1,0,0,0,0|3,0,0]=4 5606 B12R1.385 COCCc1ccc(c(c1)F)Cl 34a_100011934464_200000210301 [0,1,0,0,0,0|3,0,0]=4 5607 B12R1.385 COCCc1ccc(c(c1)F)Cl 7a_100011934464_200000210301 [0,1,0,0,0,0|3,0,0]=4 5608 B12R1.385 COCNc1ccc(c(c1)Br)Cl 2230a_100000686031_100000766300 [0,1,0,0,0,0|3,0,0]=4 5609 B12R1.385 COCNc1ccc(c(c1)C)Cl 2230a_100000187808_100000766300 [0,1,0,0,0,0|3,0,0]=4 5610 B12R1.385 COCNc1ccc(c(c1)Cl)Cl 2230a_100000184108_100000766300 [0,1,0,0,0,0|3,0,0]=4 5611 B12R1.385 COCNc1ccc(c(c1)F)Cl 2230a_100000739366_100000766300 [0,1,0,0,0,0|3,0,0]=4 5612 B12R1.385 COCOc1ccc(c(c1)F)O 271570a_203496583355_100012265695 [0,1,0,0,0,0|3,0,0]=4 5613 B12R1.385 COCOc1ccc(c(c1)O)C 271570a_203496583355_200015918306 [0,1,0,0,0,0|3,0,0]=4 5614 B12R1.385 COCSc1ccc(c(c1)Br)Cl 62a_100000766300_100012353702 [0,1,0,0,0,0|2,1,0]=4 5615 B12R1.385 COCSc1ccc(c(c1)Br)Cl 62a_100012353702_100000766300 [0,1,0,0,0,0|2,1,0]=4 5616 B12R1.385 COCSc1ccc(c(c1)C)Cl 62a_100000049509_100000766300 [0,1,0,0,0,0|2,1,0]=4 5617 B12R1.385 COCSc1ccc(c(c1)C)Cl 62a_100000766300_100000049509 [0,1,0,0,0,0|2,1,0]=4 5618 B12R1.385 COCSc1ccc(c(c1)Cl)Cl 62a_100000766300_100011214914 [0,1,0,0,0,0|2,1,0]=4 5619 B12R1.385 COCSc1ccc(c(c1)Cl)Cl 62a_100011214914_100000766300 [0,1,0,0,0,0|2,1,0]=4 5620 B12R1.385 COCSc1ccc(c(c1)F)Cl 62a_100000766300_100011216805 [0,1,0,0,0,0|2,1,0]=4 5621 B12R1.385 COCSc1ccc(c(c1)F)Cl 62a_100011216805_100000766300 [0,1,0,0,0,0|2,1,0]=4 5622 B12R1.385 COCSc1ccc(c(c1)N)Cl 62a_100000766300_200000761891 [0,1,0,0,0,0|2,1,0]=4 5623 B12R1.385 COCSc1ccc(c(c1)N)Cl 62a_200000761891_100000766300 [0,1,0,0,0,0|2,1,0]=4 5624 B12R1.385 COCSc1ccc(c(c1)O)Cl 62a_100000766300_100011356854 [0,1,0,0,0,0|2,1,0]=4 5625 B12R1.385 COCSc1ccc(c(c1)O)Cl 62a_100011356854_100000766300 [0,1,0,0,0,0|2,1,0]=4 5626 B12R1.385 CSCCc1ccc(c(c1)Cl)Cl 62a_100011713676_200000210301 [0,1,0,0,0,0|3,0,0]=4 5627 B12R1.385 CSCCc1ccc(c(c1)Cl)Cl 62a_200000210301_100011713676 [0,1,0,0,0,0|3,0,0]=4 5628 B12R1.385 CSCNc1ccc(c(c1)Br)Cl 2230a_100000686031_100011218213 [0,1,0,0,0,0|3,0,0]=4 5629 B12R1.385 CSCNc1ccc(c(c1)Br)Cl 34a_100000686031_100011218213 [0,1,0,0,0,0|3,0,0]=4 5630 B12R1.385 CSCNc1ccc(c(c1)C)Cl 2230a_100000187808_100011218213 [0,1,0,0,0,0|3,0,0]=4 5631 B12R1.385 CSCNc1ccc(c(c1)C)Cl 34a_100000187808_100011218213 [0,1,0,0,0,0|3,0,0]=4 5632 B12R1.385 CSCNc1ccc(c(c1)Cl)Cl 2230a_100000184108_100011218213 [0,1,0,0,0,0|3,0,0]=4 5633 B12R1.385 CSCNc1ccc(c(c1)Cl)Cl 34a_100000184108_100011218213 [0,1,0,0,0,0|3,0,0]=4 5634 B12R1.385 CSCNc1ccc(c(c1)F)Cl 2230a_100000739366_100011218213 [0,1,0,0,0,0|3,0,0]=4 5635 B12R1.385 CSCNc1ccc(c(c1)F)Cl 34a_100000739366_100011218213 [0,1,0,0,0,0|3,0,0]=4 5636 B12R1.385 CSCNc1ccc(c(c1)I)Cl 34a_100012360549_100011218213 [0,1,0,0,0,0|3,0,0]=4 5637 B12R1.385 CSCNc1ccc(c(c1)O)Cl 34a_100011934209_100011218213 [0,1,0,0,0,0|3,0,0]=4 5638 B12R1.385 CSCOc1cc(c(cn1)Cl)C 34a_200000085746_100011218213 [0,1,0,0,0,0|3,0,0]=4 5639 B12R1.385 CSCOc1cc(c(cn1)Cl)Cl 34a_200000099200_100011218213 [0,1,0,0,0,0|3,0,0]=4 5640 B12R1.385 CSCOc1ccc(c(c1)Br)C 34a_100011380479_100011218213 [0,1,0,0,0,0|3,0,0]=4 5641 B12R1.385 CSCOc1ccc(c(c1)Br)Cl 34a_100011933957_100011218213 [0,1,0,0,0,0|2,0,0]=3 5642 B12R1.385 CSCOc1ccc(c(c1)Br)F 34a_100000693481_100011218213 [0,1,0,0,0,0|2,1,0]=4 5643 B12R1.385 CSCOc1ccc(c(c1)Br)I 34a_100000701344_100011218213 [0,1,0,0,0,0|2,1,0]=4 5644 B12R1.385 CSCOc1ccc(c(c1)Br)N 34a_100012001276_100011218213 [0,1,0,0,0,0|3,0,0]=4 5645 B12R1.385 CSCOc1ccc(c(c1)C)Br 34a_100000690111_100011218213 [0,1,0,0,0,0|2,1,0]=4 5646 B12R1.385 CSCOc1ccc(c(c1)C)C 34a_100000210932_100011218213 [0,1,0,0,0,0|3,0,0]=4 5647 B12R1.385 CSCOc1ccc(c(c1)C)Cl 34a_100000211092_100011218213 [0,1,0,0,0,0|2,0,0]=3 5648 B12R1.385 CSCOc1ccc(c(c1)C)F 34a_100000751312_100011218213 [0,1,0,0,0,0|2,1,0]=4 5649 B12R1.385 CSCOc1ccc(c(c1)C)I 34a_100000729255_100011218213 [0,1,0,0,0,0|2,1,0]=4 5650 B12R1.385 CSCOc1ccc(c(c1)C)N 34a_100000756630_100011218213 [0,1,0,0,0,0|3,0,0]=4 5651 B12R1.385 CSCOc1ccc(c(c1)Cl)Br 34a_100011215161_100011218213 [0,1,0,0,0,0|2,1,0]=4 5652 B12R1.385 CSCOc1ccc(c(c1)Cl)C 34a_100011265682_100011218213 [0,1,0,0,0,0|3,0,0]=4 5653 B12R1.385 CSCOc1ccc(c(c1)Cl)Cl 34a_100000211054_100011218213 [0,1,0,0,0,0|2,0,0]=3 5654 B12R1.385 CSCOc1ccc(c(c1)Cl)F 34a_100000211030_100011218213 [0,1,0,0,0,0|2,1,0]=4 5655 B12R1.385 CSCOc1ccc(c(c1)Cl)I 34a_100000047559_100011218213 [0,1,0,0,0,0|2,1,0]=4 5656 B12R1.385 CSCOc1ccc(c(c1)Cl)N 34a_100011215599_100011218213 [0,1,0,0,0,0|3,0,0]=4 5657 B12R1.385 CSCOc1ccc(c(c1)F)Br 34a_100000755031_100011218213 [0,1,0,0,0,0|2,1,0]=4 5658 B12R1.385 CSCOc1ccc(c(c1)F)C 34a_100000722560_100011218213 [0,1,0,0,0,0|3,0,0]=4 5659 B12R1.385 CSCOc1ccc(c(c1)F)Cl 34a_100000691581_100011218213 [0,1,0,0,0,0|2,0,0]=3 5660 B12R1.385 CSCOc1ccc(c(c1)F)F 34a_100000181275_100011218213 [0,1,0,0,0,0|2,1,0]=4 5661 B12R1.385 CSCOc1ccc(c(c1)F)I 34a_100009990212_100011218213 [0,1,0,0,0,0|2,1,0]=4 5662 B12R1.385 CSCOc1ccc(c(c1)F)N 34a_100000759473_100011218213 [0,1,0,0,0,0|3,0,0]=4 5663 B12R1.385 CSCOc1ccc(c(c1)I)Br 34a_100012339312_100011218213 [0,1,0,0,0,0|2,1,0]=4 5664 B12R1.385 CSCOc1ccc(c(c1)I)Cl 34a_100000049588_100011218213 [0,1,0,0,0,0|2,0,0]=3 5665 B12R1.385 CSCOc1ccc(c(c1)I)N 34a_100010084370_100011218213 [0,1,0,0,0,0|3,0,0]=4 5666 B12R1.385 CSCOc1ccc(c(c1)N)Br 34a_100011999798_100011218213 [0,1,0,0,0,0|2,1,0]=4 5667 B12R1.385 CSCOc1ccc(c(c1)N)C 34a_100011216113_100011218213 [0,1,0,0,0,0|3,0,0]=4 5668 B12R1.385 CSCOc1ccc(c(c1)N)Cl 34a_100011934297_100011218213 [0,1,0,0,0,0|2,0,0]=3 5669 B12R1.385 CSCOc1ccc(c(c1)N)F 34a_100012017239_100011218213 [0,1,0,0,0,0|2,1,0]=4 5670 B12R1.385 CSCOc1ccc(c(c1)N)N 34a_100025771000_100011218213 [0,1,0,0,0,0|3,0,0]=4 5671 B12R1.385 CSCOc1ccc(c(n1)C)Cl 34a_200009863735_100011218213 [0,1,0,0,0,0|3,0,0]=4 5672 B12R1.385 CSCOc1cnc(c(c1)Br)Cl 34a_100012356455_100011218213 [0,1,0,0,0,0|3,0,0]=4 5673 B12R1.385 CSCOc1cnc(c(c1)C)Cl 34a_100012002680_100011218213 [0,1,0,0,0,0|3,0,0]=4 5674 B12R1.385 CSCOc1cnc(c(c1)Cl)Cl 34a_100000094354_100011218213 [0,1,0,0,0,0|3,0,0]=4 5675 B12R1.385 CSCOc1cnc(c(c1)F)Cl 34a_100000063512_100011218213 [0,1,0,0,0,0|3,0,0]=4 5676 B12R1.385 CSCSc1ccc(c(c1)Br)Cl 62a_100011218213_100012353702 [0,1,0,0,0,0|2,1,0]=4 5677 B12R1.385 CSCSc1ccc(c(c1)Br)Cl 62a_100012353702_100011218213 [0,1,0,0,0,0|2,1,0]=4 5678 B12R1.385 CSCSc1ccc(c(c1)C)Cl 62a_100000049509_100011218213 [0,1,0,0,0,0|2,1,0]=4 5679 B12R1.385 CSCSc1ccc(c(c1)C)Cl 62a_100011218213_100000049509 [0,1,0,0,0,0|2,1,0]=4 5680 B12R1.385 CSCSc1ccc(c(c1)Cl)Cl 62a_100011214914_100011218213 [0,1,0,0,0,0|2,1,0]=4 5681 B12R1.385 CSCSc1ccc(c(c1)Cl)Cl 62a_100011218213_100011214914 [0,1,0,0,0,0|2,1,0]=4 5682 B12R1.385 CSCSc1ccc(c(c1)F)Cl 62a_100011216805_100011218213 [0,1,0,0,0,0|2,1,0]=4 5683 B12R1.385 CSCSc1ccc(c(c1)F)Cl 62a_100011218213_100011216805 [0,1,0,0,0,0|2,1,0]=4 5684 B12R1.385 CSCSc1ccc(c(c1)N)Cl 62a_100011218213_200000761891 [0,1,0,0,0,0|2,1,0]=4 5685 B12R1.385 CSCSc1ccc(c(c1)N)Cl 62a_200000761891_100011218213 [0,1,0,0,0,0|2,1,0]=4 5686 B12R1.385 CSCSc1ccc(c(c1)O)Cl 62a_100011218213_100011356854 [0,1,0,0,0,0|2,1,0]=4 5687 B12R1.385 CSCSc1ccc(c(c1)O)Cl 62a_100011356854_100011218213 [0,1,0,0,0,0|2,1,0]=4 5688 B12R1.385 Cc1cc(ccc1Br)NCCF 2230a_100000210723_100011217306 [0,1,0,0,0,0|2,1,0]=4 5689 B12R1.385 Cc1cc(ccc1Br)NCCF 34a_100000210723_100011217306 [0,1,0,0,0,0|2,1,0]=4 5690 B12R1.385 Cc1cc(ccc1Br)NCCF 7a_100000210723_100011217306 [0,1,0,0,0,0|2,1,0]=4 5691 B12R1.385 Cc1cc(ccc1Br)NCCO 2230a_100000210723_100000211926 [0,1,0,0,0,0|1,1,0]=3 5692 B12R1.385 Cc1cc(ccc1Br)NCCO 34a_100000210723_100000211926 [0,1,0,0,0,0|1,1,0]=3 5693 B12R1.385 Cc1cc(ccc1Br)NCCO 7a_100000210723_100000211926 [0,1,0,0,0,0|1,1,0]=3 5694 B12R1.385 Cc1cc(ccc1Br)OCC#N 7a_100000690111_100011215382 [0,1,0,0,0,0|1,1,1]=4 5695 B12R1.385 Cc1cc(ccc1Br)OCC=O 34a_100000690111_200009817547 [0,1,0,0,0,0|0,1,2]=4 5696 B12R1.385 Cc1cc(ccc1Br)OCC=O 7a_100000690111_200015260668 [0,1,0,0,0,0|0,1,2]=4 5697 B12R1.385 Cc1cc(ccc1Br)OCCF 34a_100000690111_100011217306 [0,1,0,0,0,0|1,1,0]=3 5698 B12R1.385 Cc1cc(ccc1Br)OCCF 7a_100000690111_100011217306 [0,1,0,0,0,0|1,1,0]=3 5699 B12R1.385 Cc1cc(ccc1Br)OCCO 34a_100000690111_100000211926 [0,1,0,0,0,0|0,1,0]=2 5700 B12R1.385 Cc1cc(ccc1Br)OCCO 7a_100000690111_100000211926 [0,1,0,0,0,0|0,1,0]=2 5701 B12R1.385 Cc1cc(ccc1Br)SCCF 62a_100009813585_100011217306 [0,1,0,0,0,0|1,2,0]=4 5702 B12R1.385 Cc1cc(ccc1Br)SCCF 62a_100011217306_100009813585 [0,1,0,0,0,0|1,2,0]=4 5703 B12R1.385 Cc1cc(ccc1Br)SCCO 62a_100000211926_100009813585 [0,1,0,0,0,0|0,2,0]=3 5704 B12R1.385 Cc1cc(ccc1Br)SCCO 62a_100009813585_100000211926 [0,1,0,0,0,0|0,2,0]=3 5705 B12R1.385 Cc1cc(ccc1Cl)CSCF 62a_100012184735_100015361967 [0,1,0,0,0,0|3,0,0]=4 5706 B12R1.385 Cc1cc(ccc1Cl)CSCF 62a_100015361967_100012184735 [0,1,0,0,0,0|3,0,0]=4 5707 B12R1.385 Cc1cc(ccc1Cl)NCC#N 2230a_100000187808_100011215382 [0,1,0,0,0,0|2,0,1]=4 5708 B12R1.385 Cc1cc(ccc1Cl)NCC#N 7a_100000187808_100011215382 [0,1,0,0,0,0|2,0,1]=4 5709 B12R1.385 Cc1cc(ccc1Cl)NCC=O 2230a_100000187808_200015260668 [0,1,0,0,0,0|1,0,2]=4 5710 B12R1.385 Cc1cc(ccc1Cl)NCC=O 34a_100000187808_200009817547 [0,1,0,0,0,0|1,0,2]=4 5711 B12R1.385 Cc1cc(ccc1Cl)NCC=O 7a_100000187808_200015260668 [0,1,0,0,0,0|1,0,2]=4 5712 B12R1.385 Cc1cc(ccc1Cl)NCCF 2230a_100000187808_100011217306 [0,1,0,0,0,0|2,0,0]=3 5713 B12R1.385 Cc1cc(ccc1Cl)NCCF 34a_100000187808_100011217306 [0,1,0,0,0,0|2,0,0]=3 5714 B12R1.385 Cc1cc(ccc1Cl)NCCF 7a_100000187808_100011217306 [0,1,0,0,0,0|2,0,0]=3 5715 B12R1.385 Cc1cc(ccc1Cl)NCCO 2230a_100000187808_100000211926 [0,1,0,0,0,0|1,0,0]=2 5716 B12R1.385 Cc1cc(ccc1Cl)NCCO 34a_100000187808_100000211926 [0,1,0,0,0,0|1,0,0]=2 5717 B12R1.385 Cc1cc(ccc1Cl)NCCO 7a_100000187808_100000211926 [0,1,0,0,0,0|1,0,0]=2 5718 B12R1.385 Cc1cc(ccc1Cl)OCC#N 7a_100000211092_100011215382 [0,1,0,0,0,0|1,0,1]=3 5719 B12R1.385 Cc1cc(ccc1Cl)OCC=O 34a_100000211092_200009817547 [0,1,0,0,0,0|0,0,2]=3 5720 B12R1.385 Cc1cc(ccc1Cl)OCC=O 7a_100000211092_200015260668 [0,1,0,0,0,0|0,0,2]=3 5721 B12R1.385 Cc1cc(ccc1Cl)OCCF 34a_100000211092_100011217306 [0,1,0,0,0,0|1,0,0]=2 5722 B12R1.385 Cc1cc(ccc1Cl)OCCF 7a_100000211092_100011217306 [0,1,0,0,0,0|1,0,0]=2 5723 B12R1.385 Cc1cc(ccc1Cl)OCCO 34a_100000211092_100000211926 [0,1,0,0,0,0|0,0,0]=1 5724 B12R1.385 Cc1cc(ccc1Cl)OCCO 7a_100000211092_100000211926 [0,1,0,0,0,0|0,0,0]=1 5725 B12R1.385 Cc1cc(ccc1Cl)SCC#N 62a_100000049509_100011215382 [0,1,0,0,0,0|1,1,1]=4 5726 B12R1.385 Cc1cc(ccc1Cl)SCC#N 62a_100011215382_100000049509 [0,1,0,0,0,0|1,1,1]=4 5727 B12R1.385 Cc1cc(ccc1Cl)SCC=O 62a_100000049509_200015260668 [0,1,0,0,0,0|0,1,2]=4 5728 B12R1.385 Cc1cc(ccc1Cl)SCC=O 62a_200015260668_100000049509 [0,1,0,0,0,0|0,1,2]=4 5729 B12R1.385 Cc1cc(ccc1Cl)SCCF 62a_100000049509_100011217306 [0,1,0,0,0,0|1,1,0]=3 5730 B12R1.385 Cc1cc(ccc1Cl)SCCF 62a_100011217306_100000049509 [0,1,0,0,0,0|1,1,0]=3 5731 B12R1.385 Cc1cc(ccc1Cl)SCCO 62a_100000049509_100000211926 [0,1,0,0,0,0|0,1,0]=2 5732 B12R1.385 Cc1cc(ccc1Cl)SCCO 62a_100000211926_100000049509 [0,1,0,0,0,0|0,1,0]=2 5733 B12R1.385 Cc1cc(ccc1F)NCCF 2230a_100000750164_100011217306 [0,1,0,0,0,0|2,1,0]=4 5734 B12R1.385 Cc1cc(ccc1F)NCCF 34a_100000750164_100011217306 [0,1,0,0,0,0|2,1,0]=4 5735 B12R1.385 Cc1cc(ccc1F)NCCF 7a_100000750164_100011217306 [0,1,0,0,0,0|2,1,0]=4 5736 B12R1.385 Cc1cc(ccc1F)NCCO 2230a_100000750164_100000211926 [0,1,0,0,0,0|1,1,0]=3 5737 B12R1.385 Cc1cc(ccc1F)NCCO 34a_100000750164_100000211926 [0,1,0,0,0,0|1,1,0]=3 5738 B12R1.385 Cc1cc(ccc1F)NCCO 7a_100000750164_100000211926 [0,1,0,0,0,0|1,1,0]=3 5739 B12R1.385 Cc1cc(ccc1F)OCC#N 7a_100000751312_100011215382 [0,1,0,0,0,0|1,1,1]=4 5740 B12R1.385 Cc1cc(ccc1F)OCC=O 34a_100000751312_200009817547 [0,1,0,0,0,0|0,1,2]=4 5741 B12R1.385 Cc1cc(ccc1F)OCC=O 7a_100000751312_200015260668 [0,1,0,0,0,0|0,1,2]=4 5742 B12R1.385 Cc1cc(ccc1F)OCCF 34a_100000751312_100011217306 [0,1,0,0,0,0|1,1,0]=3 5743 B12R1.385 Cc1cc(ccc1F)OCCF 7a_100000751312_100011217306 [0,1,0,0,0,0|1,1,0]=3 5744 B12R1.385 Cc1cc(ccc1F)OCCO 34a_100000751312_100000211926 [0,1,0,0,0,0|0,1,0]=2 5745 B12R1.385 Cc1cc(ccc1F)OCCO 7a_100000751312_100000211926 [0,1,0,0,0,0|0,1,0]=2 5746 B12R1.385 Cc1cc(ccc1F)SCCF 62a_100011217306_100011218330 [0,1,0,0,0,0|1,2,0]=4 5747 B12R1.385 Cc1cc(ccc1F)SCCF 62a_100011218330_100011217306 [0,1,0,0,0,0|1,2,0]=4 5748 B12R1.385 Cc1cc(ccc1F)SCCO 62a_100000211926_100011218330 [0,1,0,0,0,0|0,2,0]=3 5749 B12R1.385 Cc1cc(ccc1F)SCCO 62a_100011218330_100000211926 [0,1,0,0,0,0|0,2,0]=3 5750 B12R1.385 Cc1cc(ccc1I)NCCF 34a_100000198070_100011217306 [0,1,0,0,0,0|2,1,0]=4 5751 B12R1.385 Cc1cc(ccc1I)NCCF 7a_100000198070_100011217306 [0,1,0,0,0,0|2,1,0]=4 5752 B12R1.385 Cc1cc(ccc1I)NCCO 34a_100000198070_100000211926 [0,1,0,0,0,0|1,1,0]=3 5753 B12R1.385 Cc1cc(ccc1I)NCCO 7a_100000198070_100000211926 [0,1,0,0,0,0|1,1,0]=3 5754 B12R1.385 Cc1cc(ccc1I)OCC#N 7a_100000729255_100011215382 [0,1,0,0,0,0|1,1,1]=4 5755 B12R1.385 Cc1cc(ccc1I)OCC=O 34a_100000729255_200009817547 [0,1,0,0,0,0|0,1,2]=4 5756 B12R1.385 Cc1cc(ccc1I)OCC=O 7a_100000729255_200015260668 [0,1,0,0,0,0|0,1,2]=4 5757 B12R1.385 Cc1cc(ccc1I)OCCF 34a_100000729255_100011217306 [0,1,0,0,0,0|1,1,0]=3 5758 B12R1.385 Cc1cc(ccc1I)OCCF 7a_100000729255_100011217306 [0,1,0,0,0,0|1,1,0]=3 5759 B12R1.385 Cc1cc(ccc1I)OCCO 34a_100000729255_100000211926 [0,1,0,0,0,0|0,1,0]=2 5760 B12R1.385 Cc1cc(ccc1I)OCCO 7a_100000729255_100000211926 [0,1,0,0,0,0|0,1,0]=2 5761 B12R1.385 Cc1cc(ccc1N)OCC#N 7a_100000756630_100011215382 [0,1,0,0,0,0|2,0,1]=4 5762 B12R1.385 Cc1cc(ccc1N)OCC=O 34a_100000756630_200009817547 [0,1,0,0,0,0|1,0,2]=4 5763 B12R1.385 Cc1cc(ccc1N)OCC=O 7a_100000756630_200015260668 [0,1,0,0,0,0|1,0,2]=4 5764 B12R1.385 Cc1cc(ccc1N)OCCF 34a_100000756630_100011217306 [0,1,0,0,0,0|2,0,0]=3 5765 B12R1.385 Cc1cc(ccc1N)OCCF 7a_100000756630_100011217306 [0,1,0,0,0,0|2,0,0]=3 5766 B12R1.385 Cc1cc(ccc1N)OCCO 34a_100000756630_100000211926 [0,1,0,0,0,0|1,0,0]=2 5767 B12R1.385 Cc1cc(ccc1N)OCCO 7a_100000756630_100000211926 [0,1,0,0,0,0|1,0,0]=2 5768 B12R1.385 Cc1cc(ccc1N)SCCF 62a_100000211769_100011217306 [0,1,0,0,0,0|2,1,0]=4 5769 B12R1.385 Cc1cc(ccc1N)SCCF 62a_100011217306_100000211769 [0,1,0,0,0,0|2,1,0]=4 5770 B12R1.385 Cc1cc(ccc1N)SCCO 62a_100000211769_100000211926 [0,1,0,0,0,0|1,1,0]=3 5771 B12R1.385 Cc1cc(ccc1N)SCCO 62a_100000211926_100000211769 [0,1,0,0,0,0|1,1,0]=3 5772 B12R1.385 Cc1cc(ccc1O)NCCF 34a_100011218179_100011217306 [0,1,0,0,0,0|3,0,0]=4 5773 B12R1.385 Cc1cc(ccc1O)NCCF 7a_100011218179_100011217306 [0,1,0,0,0,0|3,0,0]=4 5774 B12R1.385 Cc1cc(ccc1O)NCCO 34a_100011218179_100000211926 [0,1,0,0,0,0|2,0,0]=3 5775 B12R1.385 Cc1cc(ccc1O)NCCO 7a_100011218179_100000211926 [0,1,0,0,0,0|2,0,0]=3 5776 B12R1.385 Cc1cc(ccc1O)SCCF 62a_100011217306_100000186361 [0,1,0,0,0,0|2,1,0]=4 5777 B12R1.385 Cc1cc(ccc1O)SCCO 62a_100000211926_100000186361 [0,1,0,0,0,0|1,1,0]=3 5778 B12R1.385 Cc1cc(cnc1Br)OCCF 34a_100012000486_100011217306 [0,1,0,0,0,0|2,1,0]=4 5779 B12R1.385 Cc1cc(cnc1Br)OCCF 7a_100012000486_100011217306 [0,1,0,0,0,0|2,1,0]=4 5780 B12R1.385 Cc1cc(cnc1Br)OCCO 34a_100012000486_100000211926 [0,1,0,0,0,0|1,1,0]=3 5781 B12R1.385 Cc1cc(cnc1Br)OCCO 7a_100012000486_100000211926 [0,1,0,0,0,0|1,1,0]=3 5782 B12R1.385 Cc1cc(cnc1Br)SCCO 62a_100000211926_100009816107 [0,1,0,0,0,0|1,2,0]=4 5783 B12R1.385 Cc1cc(cnc1Br)SCCO 62a_100009816107_100000211926 [0,1,0,0,0,0|1,2,0]=4 5784 B12R1.385 Cc1cc(cnc1C)OCCF 34a_100009854398_100011217306 [0,1,0,0,0,0|3,0,0]=4 5785 B12R1.385 Cc1cc(cnc1C)OCCF 7a_100009854398_100011217306 [0,1,0,0,0,0|3,0,0]=4 5786 B12R1.385 Cc1cc(cnc1C)OCCO 34a_100009854398_100000211926 [0,1,0,0,0,0|2,0,0]=3 5787 B12R1.385 Cc1cc(cnc1C)OCCO 7a_100009854398_100000211926 [0,1,0,0,0,0|2,0,0]=3 5788 B12R1.385 Cc1cc(cnc1C)SCCO 62a_100000211926_100000697892 [0,1,0,0,0,0|2,1,0]=4 5789 B12R1.385 Cc1cc(cnc1C)SCCO 62a_100000697892_100000211926 [0,1,0,0,0,0|2,1,0]=4 5790 B12R1.385 Cc1cc(cnc1Cl)OCC#N 7a_100012002680_100011215382 [0,1,0,0,0,0|2,0,1]=4 5791 B12R1.385 Cc1cc(cnc1Cl)OCC=O 34a_100012002680_200009817547 [0,1,0,0,0,0|1,0,2]=4 5792 B12R1.385 Cc1cc(cnc1Cl)OCC=O 7a_100012002680_200015260668 [0,1,0,0,0,0|1,0,2]=4 5793 B12R1.385 Cc1cc(cnc1Cl)OCCF 34a_100012002680_100011217306 [0,1,0,0,0,0|2,0,0]=3 5794 B12R1.385 Cc1cc(cnc1Cl)OCCF 7a_100012002680_100011217306 [0,1,0,0,0,0|2,0,0]=3 5795 B12R1.385 Cc1cc(cnc1Cl)OCCO 34a_100012002680_100000211926 [0,1,0,0,0,0|1,0,0]=2 5796 B12R1.385 Cc1cc(cnc1Cl)OCCO 7a_100012002680_100000211926 [0,1,0,0,0,0|1,0,0]=2 5797 B12R1.385 Cc1cc(cnc1Cl)SCCF 62a_100009922867_100011217306 [0,1,0,0,0,0|2,1,0]=4 5798 B12R1.385 Cc1cc(cnc1Cl)SCCF 62a_100011217306_100009922867 [0,1,0,0,0,0|2,1,0]=4 5799 B12R1.385 Cc1cc(cnc1Cl)SCCO 62a_100000211926_100009922867 [0,1,0,0,0,0|1,1,0]=3 5800 B12R1.385 Cc1cc(cnc1Cl)SCCO 62a_100009922867_100000211926 [0,1,0,0,0,0|1,1,0]=3 5801 B12R1.385 Cc1cc(cnc1F)OCCF 34a_100000094615_100011217306 [0,1,0,0,0,0|2,1,0]=4 5802 B12R1.385 Cc1cc(cnc1F)OCCF 7a_100000094615_100011217306 [0,1,0,0,0,0|2,1,0]=4 5803 B12R1.385 Cc1cc(cnc1F)OCCO 34a_100000094615_100000211926 [0,1,0,0,0,0|1,1,0]=3 5804 B12R1.385 Cc1cc(cnc1F)OCCO 7a_100000094615_100000211926 [0,1,0,0,0,0|1,1,0]=3 5805 B12R1.385 Cc1cc(cnc1F)SCCO 62a_100000211926_100000709442 [0,1,0,0,0,0|1,2,0]=4 5806 B12R1.385 Cc1cc(cnc1F)SCCO 62a_100000709442_100000211926 [0,1,0,0,0,0|1,2,0]=4 5807 B12R1.385 Cc1cc(cnc1N)SCCO 62a_100000211926_100000684428 [0,1,0,0,0,0|2,1,0]=4 5808 B12R1.385 Cc1cc(cnc1N)SCCO 62a_100000684428_100000211926 [0,1,0,0,0,0|2,1,0]=4 5809 B12R1.385 Cc1cc(cnc1O)SCCO 62a_100000211926_100000685391 [0,1,0,0,0,0|2,1,0]=4 5810 B12R1.385 Cc1cc(cnc1O)SCCO 62a_100000685391_100000211926 [0,1,0,0,0,0|2,1,0]=4 5811 B12R1.385 Cc1cc(ncc1Br)OCCF 34a_100000766222_100011217306 [0,1,0,0,0,0|2,1,0]=4 5812 B12R1.385 Cc1cc(ncc1Br)OCCO 34a_100000766222_100000211926 [0,1,0,0,0,0|1,1,0]=3 5813 B12R1.385 Cc1cc(ncc1Br)SCCO 62a_100000211926_100012356354 [0,1,0,0,0,0|1,2,0]=4 5814 B12R1.385 Cc1cc(ncc1Br)SCCO 62a_100012356354_100000211926 [0,1,0,0,0,0|1,2,0]=4 5815 B12R1.385 Cc1cc(ncc1Cl)OCC=O 34a_200000085746_200009817547 [0,1,0,0,0,0|1,0,2]=4 5816 B12R1.385 Cc1cc(ncc1Cl)OCCF 34a_200000085746_100011217306 [0,1,0,0,0,0|2,0,0]=3 5817 B12R1.385 Cc1cc(ncc1Cl)OCCO 34a_200000085746_100000211926 [0,1,0,0,0,0|1,0,0]=2 5818 B12R1.385 Cc1cc(ncc1F)SCCO 62a_100000211926_100009818257 [0,1,0,0,0,0|1,2,0]=4 5819 B12R1.385 Cc1cc(ncc1F)SCCO 62a_100009818257_100000211926 [0,1,0,0,0,0|1,2,0]=4 5820 B12R1.385 Cc1cc(ncc1N)SCCO 62a_100000067204_100000211926 [0,1,0,0,0,0|2,1,0]=4 5821 B12R1.385 Cc1cc(ncc1N)SCCO 62a_100000211926_100000067204 [0,1,0,0,0,0|2,1,0]=4 5822 B12R1.385 Cc1cc(ncc1O)NCCO 271570a_203496583355_100012352624 [0,1,0,0,0,0|3,0,0]=4 5823 B12R1.385 Cc1cc(ncc1O)SCCO 62a_100000211926_100000692680 [0,1,0,0,0,0|2,1,0]=4 5824 B12R1.385 Cc1ccc(c[n+]1[O-])SCCO 62a_100000211926_100000703231 [0,1,0,0,0,0|2,1,0]=4 5825 B12R1.385 Cc1ccc(cc1Br)NCCF 2230a_100000736455_100011217306 [0,1,0,0,0,0|3,0,0]=4 5826 B12R1.385 Cc1ccc(cc1Br)NCCF 34a_100000736455_100011217306 [0,1,0,0,0,0|3,0,0]=4 5827 B12R1.385 Cc1ccc(cc1Br)NCCF 7a_100000736455_100011217306 [0,1,0,0,0,0|3,0,0]=4 5828 B12R1.385 Cc1ccc(cc1Br)NCCO 2230a_100000736455_100000211926 [0,1,0,0,0,0|2,0,0]=3 5829 B12R1.385 Cc1ccc(cc1Br)NCCO 34a_100000736455_100000211926 [0,1,0,0,0,0|2,0,0]=3 5830 B12R1.385 Cc1ccc(cc1Br)NCCO 7a_100000736455_100000211926 [0,1,0,0,0,0|2,0,0]=3 5831 B12R1.385 Cc1ccc(cc1Br)OCC#N 7a_100011380479_100011215382 [0,1,0,0,0,0|2,0,1]=4 5832 B12R1.385 Cc1ccc(cc1Br)OCC=O 34a_100011380479_200009817547 [0,1,0,0,0,0|1,0,2]=4 5833 B12R1.385 Cc1ccc(cc1Br)OCC=O 7a_100011380479_200015260668 [0,1,0,0,0,0|1,0,2]=4 5834 B12R1.385 Cc1ccc(cc1Br)OCCF 34a_100011380479_100011217306 [0,1,0,0,0,0|2,0,0]=3 5835 B12R1.385 Cc1ccc(cc1Br)OCCF 7a_100011380479_100011217306 [0,1,0,0,0,0|2,0,0]=3 5836 B12R1.385 Cc1ccc(cc1Br)OCCO 34a_100011380479_100000211926 [0,1,0,0,0,0|1,0,0]=2 5837 B12R1.385 Cc1ccc(cc1Br)OCCO 7a_100011380479_100000211926 [0,1,0,0,0,0|1,0,0]=2 5838 B12R1.385 Cc1ccc(cc1Br)SCCF 62a_100011217306_100011847877 [0,1,0,0,0,0|2,1,0]=4 5839 B12R1.385 Cc1ccc(cc1Br)SCCF 62a_100011847877_100011217306 [0,1,0,0,0,0|2,1,0]=4 5840 B12R1.385 Cc1ccc(cc1Br)SCCO 62a_100000211926_100011847877 [0,1,0,0,0,0|1,1,0]=3 5841 B12R1.385 Cc1ccc(cc1Br)SCCO 62a_100011847877_100000211926 [0,1,0,0,0,0|1,1,0]=3 5842 B12R1.385 Cc1ccc(cc1C)NCCF 2230a_100000724040_100011217306 [0,1,0,0,0,0|3,0,0]=4 5843 B12R1.385 Cc1ccc(cc1C)NCCF 34a_100000724040_100011217306 [0,1,0,0,0,0|3,0,0]=4 5844 B12R1.385 Cc1ccc(cc1C)NCCF 7a_100000724040_100011217306 [0,1,0,0,0,0|3,0,0]=4 5845 B12R1.385 Cc1ccc(cc1C)NCCO 2230a_100000724040_100000211926 [0,1,0,0,0,0|2,0,0]=3 5846 B12R1.385 Cc1ccc(cc1C)NCCO 34a_100000724040_100000211926 [0,1,0,0,0,0|2,0,0]=3 5847 B12R1.385 Cc1ccc(cc1C)NCCO 7a_100000724040_100000211926 [0,1,0,0,0,0|2,0,0]=3 5848 B12R1.385 Cc1ccc(cc1C)OCC#N 7a_100000210932_100011215382 [0,1,0,0,0,0|2,0,1]=4 5849 B12R1.385 Cc1ccc(cc1C)OCC=O 34a_100000210932_200009817547 [0,1,0,0,0,0|1,0,2]=4 5850 B12R1.385 Cc1ccc(cc1C)OCC=O 7a_100000210932_200015260668 [0,1,0,0,0,0|1,0,2]=4 5851 B12R1.385 Cc1ccc(cc1C)OCCF 34a_100000210932_100011217306 [0,1,0,0,0,0|2,0,0]=3 5852 B12R1.385 Cc1ccc(cc1C)OCCF 7a_100000210932_100011217306 [0,1,0,0,0,0|2,0,0]=3 5853 B12R1.385 Cc1ccc(cc1C)OCCO 34a_100000210932_100000211926 [0,1,0,0,0,0|1,0,0]=2 5854 B12R1.385 Cc1ccc(cc1C)OCCO 7a_100000210932_100000211926 [0,1,0,0,0,0|1,0,0]=2 5855 B12R1.385 Cc1ccc(cc1C)SCCF 62a_100011215607_100011217306 [0,1,0,0,0,0|2,1,0]=4 5856 B12R1.385 Cc1ccc(cc1C)SCCF 62a_100011217306_100011215607 [0,1,0,0,0,0|2,1,0]=4 5857 B12R1.385 Cc1ccc(cc1C)SCCO 62a_100000211926_100011215607 [0,1,0,0,0,0|1,1,0]=3 5858 B12R1.385 Cc1ccc(cc1C)SCCO 62a_100011215607_100000211926 [0,1,0,0,0,0|1,1,0]=3 5859 B12R1.385 Cc1ccc(cc1Cl)NCCF 2230a_100000188892_100011217306 [0,1,0,0,0,0|3,0,0]=4 5860 B12R1.385 Cc1ccc(cc1Cl)NCCF 34a_100000188892_100011217306 [0,1,0,0,0,0|3,0,0]=4 5861 B12R1.385 Cc1ccc(cc1Cl)NCCF 7a_100000188892_100011217306 [0,1,0,0,0,0|3,0,0]=4 5862 B12R1.385 Cc1ccc(cc1Cl)NCCO 2230a_100000188892_100000211926 [0,1,0,0,0,0|2,0,0]=3 5863 B12R1.385 Cc1ccc(cc1Cl)NCCO 34a_100000188892_100000211926 [0,1,0,0,0,0|2,0,0]=3 5864 B12R1.385 Cc1ccc(cc1Cl)NCCO 7a_100000188892_100000211926 [0,1,0,0,0,0|2,0,0]=3 5865 B12R1.385 Cc1ccc(cc1Cl)OCC#N 7a_100011265682_100011215382 [0,1,0,0,0,0|2,0,1]=4 5866 B12R1.385 Cc1ccc(cc1Cl)OCC=O 34a_100011265682_200009817547 [0,1,0,0,0,0|1,0,2]=4 5867 B12R1.385 Cc1ccc(cc1Cl)OCC=O 7a_100011265682_200015260668 [0,1,0,0,0,0|1,0,2]=4 5868 B12R1.385 Cc1ccc(cc1Cl)OCCF 34a_100011265682_100011217306 [0,1,0,0,0,0|2,0,0]=3 5869 B12R1.385 Cc1ccc(cc1Cl)OCCF 7a_100011265682_100011217306 [0,1,0,0,0,0|2,0,0]=3 5870 B12R1.385 Cc1ccc(cc1Cl)OCCO 34a_100011265682_100000211926 [0,1,0,0,0,0|1,0,0]=2 5871 B12R1.385 Cc1ccc(cc1Cl)OCCO 7a_100011265682_100000211926 [0,1,0,0,0,0|1,0,0]=2 5872 B12R1.385 Cc1ccc(cc1Cl)SCCF 62a_100011216363_100011217306 [0,1,0,0,0,0|2,1,0]=4 5873 B12R1.385 Cc1ccc(cc1Cl)SCCF 62a_100011217306_100011216363 [0,1,0,0,0,0|2,1,0]=4 5874 B12R1.385 Cc1ccc(cc1Cl)SCCO 62a_100000211926_100011216363 [0,1,0,0,0,0|1,1,0]=3 5875 B12R1.385 Cc1ccc(cc1Cl)SCCO 62a_100011216363_100000211926 [0,1,0,0,0,0|1,1,0]=3 5876 B12R1.385 Cc1ccc(cc1F)NCCF 2230a_100000210958_100011217306 [0,1,0,0,0,0|3,0,0]=4 5877 B12R1.385 Cc1ccc(cc1F)NCCF 34a_100000210958_100011217306 [0,1,0,0,0,0|3,0,0]=4 5878 B12R1.385 Cc1ccc(cc1F)NCCF 7a_100000210958_100011217306 [0,1,0,0,0,0|3,0,0]=4 5879 B12R1.385 Cc1ccc(cc1F)NCCO 2230a_100000210958_100000211926 [0,1,0,0,0,0|2,0,0]=3 5880 B12R1.385 Cc1ccc(cc1F)NCCO 34a_100000210958_100000211926 [0,1,0,0,0,0|2,0,0]=3 5881 B12R1.385 Cc1ccc(cc1F)NCCO 7a_100000210958_100000211926 [0,1,0,0,0,0|2,0,0]=3 5882 B12R1.385 Cc1ccc(cc1F)OCC#N 7a_100000722560_100011215382 [0,1,0,0,0,0|2,0,1]=4 5883 B12R1.385 Cc1ccc(cc1F)OCC=O 34a_100000722560_200009817547 [0,1,0,0,0,0|1,0,2]=4 5884 B12R1.385 Cc1ccc(cc1F)OCC=O 7a_100000722560_200015260668 [0,1,0,0,0,0|1,0,2]=4 5885 B12R1.385 Cc1ccc(cc1F)OCCF 34a_100000722560_100011217306 [0,1,0,0,0,0|2,0,0]=3 5886 B12R1.385 Cc1ccc(cc1F)OCCF 7a_100000722560_100011217306 [0,1,0,0,0,0|2,0,0]=3 5887 B12R1.385 Cc1ccc(cc1F)OCCO 34a_100000722560_100000211926 [0,1,0,0,0,0|1,0,0]=2 5888 B12R1.385 Cc1ccc(cc1F)OCCO 7a_100000722560_100000211926 [0,1,0,0,0,0|1,0,0]=2 5889 B12R1.385 Cc1ccc(cc1F)SCCF 62a_100000720648_100011217306 [0,1,0,0,0,0|2,1,0]=4 5890 B12R1.385 Cc1ccc(cc1F)SCCF 62a_100011217306_100000720648 [0,1,0,0,0,0|2,1,0]=4 5891 B12R1.385 Cc1ccc(cc1F)SCCO 62a_100000211926_100000720648 [0,1,0,0,0,0|1,1,0]=3 5892 B12R1.385 Cc1ccc(cc1F)SCCO 62a_100000720648_100000211926 [0,1,0,0,0,0|1,1,0]=3 5893 B12R1.385 Cc1ccc(cc1I)NCCF 34a_100000184131_100011217306 [0,1,0,0,0,0|3,0,0]=4 5894 B12R1.385 Cc1ccc(cc1I)NCCF 7a_100000184131_100011217306 [0,1,0,0,0,0|3,0,0]=4 5895 B12R1.385 Cc1ccc(cc1I)NCCO 34a_100000184131_100000211926 [0,1,0,0,0,0|2,0,0]=3 5896 B12R1.385 Cc1ccc(cc1I)NCCO 7a_100000184131_100000211926 [0,1,0,0,0,0|2,0,0]=3 5897 B12R1.385 Cc1ccc(cc1N)OCC#N 7a_100011216113_100011215382 [0,1,0,0,0,0|2,0,1]=4 5898 B12R1.385 Cc1ccc(cc1N)OCC=O 34a_100011216113_200009817547 [0,1,0,0,0,0|1,0,2]=4 5899 B12R1.385 Cc1ccc(cc1N)OCC=O 7a_100011216113_200015260668 [0,1,0,0,0,0|1,0,2]=4 5900 B12R1.385 Cc1ccc(cc1N)OCCF 34a_100011216113_100011217306 [0,1,0,0,0,0|2,0,0]=3 5901 B12R1.385 Cc1ccc(cc1N)OCCF 7a_100011216113_100011217306 [0,1,0,0,0,0|2,0,0]=3 5902 B12R1.385 Cc1ccc(cc1N)OCCO 34a_100011216113_100000211926 [0,1,0,0,0,0|1,0,0]=2 5903 B12R1.385 Cc1ccc(cc1N)OCCO 7a_100011216113_100000211926 [0,1,0,0,0,0|1,0,0]=2 5904 B12R1.385 Cc1ccc(cc1N)SCCF 62a_100000761890_100011217306 [0,1,0,0,0,0|2,1,0]=4 5905 B12R1.385 Cc1ccc(cc1N)SCCF 62a_100011217306_100000761890 [0,1,0,0,0,0|2,1,0]=4 5906 B12R1.385 Cc1ccc(cc1N)SCCO 62a_100000211926_100000761890 [0,1,0,0,0,0|1,1,0]=3 5907 B12R1.385 Cc1ccc(cc1N)SCCO 62a_100000761890_100000211926 [0,1,0,0,0,0|1,1,0]=3 5908 B12R1.385 Cc1ccc(cc1O)NCCF 34a_100000759471_100011217306 [0,1,0,0,0,0|3,0,0]=4 5909 B12R1.385 Cc1ccc(cc1O)NCCF 7a_100000759471_100011217306 [0,1,0,0,0,0|3,0,0]=4 5910 B12R1.385 Cc1ccc(cc1O)NCCO 34a_100000759471_100000211926 [0,1,0,0,0,0|2,0,0]=3 5911 B12R1.385 Cc1ccc(cc1O)NCCO 7a_100000759471_100000211926 [0,1,0,0,0,0|2,0,0]=3 5912 B12R1.385 Cc1ccc(cc1O)SCCF 62a_100000685420_100011217306 [0,1,0,0,0,0|2,1,0]=4 5913 B12R1.385 Cc1ccc(cc1O)SCCF 62a_100011217306_100000685420 [0,1,0,0,0,0|2,1,0]=4 5914 B12R1.385 Cc1ccc(cc1O)SCCO 271570a_203496583355_100010989109 [0,1,0,0,0,0|1,1,0]=3 5915 B12R1.385 Cc1ccc(cc1O)SCCO 62a_100000211926_100000685420 [0,1,0,0,0,0|1,1,0]=3 5916 B12R1.385 Cc1ccc(cc1O)SCCO 62a_100000685420_100000211926 [0,1,0,0,0,0|1,1,0]=3 5917 B12R1.385 Cc1ccc(nc1C)SCCO 62a_100000103781_100000211926 [0,1,0,0,0,0|2,1,0]=4 5918 B12R1.385 Cc1ccc(nc1C)SCCO 62a_100000211926_100000103781 [0,1,0,0,0,0|2,1,0]=4 5919 B12R1.385 Cc1ccc(nc1N)SCCO 62a_100000211926_100009857032 [0,1,0,0,0,0|2,1,0]=4 5920 B12R1.385 Cc1ccc(nc1N)SCCO 62a_100009857032_100000211926 [0,1,0,0,0,0|2,1,0]=4 5921 B12R1.385 Cc1cnc(cc1Br)OCCF 34a_100009831917_100011217306 [0,1,0,0,0,0|3,0,0]=4 5922 B12R1.385 Cc1cnc(cc1Br)OCCO 34a_100009831917_100000211926 [0,1,0,0,0,0|2,0,0]=3 5923 B12R1.385 Cc1cnc(cc1C)SCCO 62a_100000211926_100009850809 [0,1,0,0,0,0|2,1,0]=4 5924 B12R1.385 Cc1cnc(cc1C)SCCO 62a_100009850809_100000211926 [0,1,0,0,0,0|2,1,0]=4 5925 B12R1.385 Cc1cnc(cc1F)NCCO 27a_100000210304_100009841206 [0,1,0,0,0,0|3,0,0]=4 5926 B12R1.385 Cc1cnc(cc1F)SCCO 62a_100000211926_100009841206 [0,1,0,0,0,0|2,1,0]=4 5927 B12R1.385 Cc1cnc(cc1F)SCCO 62a_100009841206_100000211926 [0,1,0,0,0,0|2,1,0]=4 5928 B12R1.385 Cc1cnc(cc1N)SCCO 62a_100000126663_100000211926 [0,1,0,0,0,0|2,1,0]=4 5929 B12R1.385 Cc1cnc(cc1N)SCCO 62a_100000211926_100000126663 [0,1,0,0,0,0|2,1,0]=4 5930 B12R1.385 Cc1cnc(cc1O)SCCO 62a_100000211926_100000704368 [0,1,0,0,0,0|2,1,0]=4 5931 B12R1.385 Cc1cnc(cc1O)SCCO 62a_100000704368_100000211926 [0,1,0,0,0,0|2,1,0]=4 5932 B12R1.385 Cc1nc(ccc1Br)OCCF 34a_100000691680_100011217306 [0,1,0,0,0,0|2,1,0]=4 5933 B12R1.385 Cc1nc(ccc1Br)OCCO 34a_100000691680_100000211926 [0,1,0,0,0,0|1,1,0]=3 5934 B12R1.385 Cc1nc(ccc1Br)SCCO 62a_100000211926_100012360386 [0,1,0,0,0,0|1,2,0]=4 5935 B12R1.385 Cc1nc(ccc1Br)SCCO 62a_100012360386_100000211926 [0,1,0,0,0,0|1,2,0]=4 5936 B12R1.385 Cc1nc(ccc1Cl)OCC=O 34a_200009863735_200009817547 [0,1,0,0,0,0|1,0,2]=4 5937 B12R1.385 Cc1nc(ccc1Cl)OCCF 34a_200009863735_100011217306 [0,1,0,0,0,0|2,0,0]=3 5938 B12R1.385 Cc1nc(ccc1Cl)OCCO 34a_200009863735_100000211926 [0,1,0,0,0,0|1,0,0]=2 5939 B12R1.385 Cc1nc(ccc1F)SCCO 62a_100000211926_100009814307 [0,1,0,0,0,0|1,2,0]=4 5940 B12R1.385 Cc1nc(ccc1F)SCCO 62a_100009814307_100000211926 [0,1,0,0,0,0|1,2,0]=4 5941 B12R1.385 Cc1nc(ccc1N)SCCO 62a_100000211926_100000720120 [0,1,0,0,0,0|2,1,0]=4 5942 B12R1.385 Cc1nc(ccc1N)SCCO 62a_100000720120_100000211926 [0,1,0,0,0,0|2,1,0]=4 5943 B12R1.385 Cc1nc(ccc1O)SCCO 62a_100000211926_100010233687 [0,1,0,0,0,0|2,1,0]=4 5944 B12R1.385 Cc1nc(ccc1O)SCCO 62a_100010233687_100000211926 [0,1,0,0,0,0|2,1,0]=4 5945 B12R1.385 Cc1nc(ncc1Cl)NCCO 27a_100000210304_100010174973 [0,1,0,0,0,0|3,0,0]=4 5946 B12R1.385 Cc1nc(ncc1Cl)SCCO 62a_100000211926_100010174973 [0,1,0,0,0,0|2,1,0]=4 5947 B12R1.385 Cc1nc(ncc1Cl)SCCO 62a_100010174973_100000211926 [0,1,0,0,0,0|2,1,0]=4 5948 B12R1.385 Cc1ncc(cc1Br)OCCF 34a_100009819603_100011217306 [0,1,0,0,0,0|3,0,0]=4 5949 B12R1.385 Cc1ncc(cc1Br)OCCF 7a_100009819603_100011217306 [0,1,0,0,0,0|3,0,0]=4 5950 B12R1.385 Cc1ncc(cc1Br)OCCO 34a_100009819603_100000211926 [0,1,0,0,0,0|2,0,0]=3 5951 B12R1.385 Cc1ncc(cc1Br)OCCO 7a_100009819603_100000211926 [0,1,0,0,0,0|2,0,0]=3 5952 B12R1.385 Cc1ncc(cc1F)SCCO 62a_100000211926_100009845756 [0,1,0,0,0,0|2,1,0]=4 5953 B12R1.385 Cc1ncc(cc1F)SCCO 62a_100009845756_100000211926 [0,1,0,0,0,0|2,1,0]=4 5954 B12R1.385 Cc1ncc(cc1N)SCCO 62a_100000211926_100011999542 [0,1,0,0,0,0|2,1,0]=4 5955 B12R1.385 Cc1ncc(cc1N)SCCO 62a_100011999542_100000211926 [0,1,0,0,0,0|2,1,0]=4 5956 B12R1.385 Cc1ncc(cc1O)SCCO 62a_100000211926_100009864810 [0,1,0,0,0,0|2,1,0]=4 5957 B12R1.385 Cc1ncc(cc1O)SCCO 62a_100009864810_100000211926 [0,1,0,0,0,0|2,1,0]=4 5958 B12R1.385 Cc1ncc(nc1C)OCCO 34a_200000700380_100000211926 [0,1,0,0,0,0|3,0,0]=4 5959 B12R1.385 Cn1cc(ccc1=O)SCCO 62a_100000211926_100011245003 [0,1,0,0,0,0|2,1,0]=4 5960 B12R1.385 Cn1cc(ccc1=O)SCCO 62a_100011245003_100000211926 [0,1,0,0,0,0|2,1,0]=4 5961 B12R1.385 Cn1ccc(cc1=O)NCCO 27a_100000210304_100009820031 [0,1,0,0,0,0|3,0,0]=4 5962 B12R1.385 Cn1ccc(cc1=O)SCCO 62a_100000211926_100009820031 [0,1,0,0,0,0|2,1,0]=4 5963 B12R1.385 Cn1ccc(cc1=O)SCCO 62a_100009820031_100000211926 [0,1,0,0,0,0|2,1,0]=4 5964 B12R1.385 FCCNc1ccc(c(c1)Br)Br 2230a_100011306057_100011217306 [0,1,0,0,0,0|2,1,0]=4 5965 B12R1.385 FCCNc1ccc(c(c1)Br)Br 34a_100011306057_100011217306 [0,1,0,0,0,0|2,1,0]=4 5966 B12R1.385 FCCNc1ccc(c(c1)Br)Br 7a_100011306057_100011217306 [0,1,0,0,0,0|2,1,0]=4 5967 B12R1.385 FCCNc1ccc(c(c1)Br)Cl 2230a_100000686031_100011217306 [0,1,0,0,0,0|2,0,0]=3 5968 B12R1.385 FCCNc1ccc(c(c1)Br)Cl 34a_100000686031_100011217306 [0,1,0,0,0,0|2,0,0]=3 5969 B12R1.385 FCCNc1ccc(c(c1)Br)F 2230a_100000760356_100011217306 [0,1,0,0,0,0|2,1,0]=4 5970 B12R1.385 FCCNc1ccc(c(c1)Br)F 34a_100000760356_100011217306 [0,1,0,0,0,0|2,1,0]=4 5971 B12R1.385 FCCNc1ccc(c(c1)Br)F 7a_100000760356_100011217306 [0,1,0,0,0,0|2,1,0]=4 5972 B12R1.385 FCCNc1ccc(c(c1)Br)I 34a_100000750458_100011217306 [0,1,0,0,0,0|2,1,0]=4 5973 B12R1.385 FCCNc1ccc(c(c1)Cl)Br 2230a_100000687081_100011217306 [0,1,0,0,0,0|2,1,0]=4 5974 B12R1.385 FCCNc1ccc(c(c1)Cl)Br 34a_100000687081_100011217306 [0,1,0,0,0,0|2,1,0]=4 5975 B12R1.385 FCCNc1ccc(c(c1)Cl)Br 7a_100000687081_100011217306 [0,1,0,0,0,0|2,1,0]=4 5976 B12R1.385 FCCNc1ccc(c(c1)Cl)Cl 2230a_100000184108_100011217306 [0,1,0,0,0,0|2,0,0]=3 5977 B12R1.385 FCCNc1ccc(c(c1)Cl)Cl 34a_100000184108_100011217306 [0,1,0,0,0,0|2,0,0]=3 5978 B12R1.385 FCCNc1ccc(c(c1)Cl)F 2230a_100000211060_100011217306 [0,1,0,0,0,0|2,1,0]=4 5979 B12R1.385 FCCNc1ccc(c(c1)Cl)F 34a_100000211060_100011217306 [0,1,0,0,0,0|2,1,0]=4 5980 B12R1.385 FCCNc1ccc(c(c1)Cl)F 7a_100000211060_100011217306 [0,1,0,0,0,0|2,1,0]=4 5981 B12R1.385 FCCNc1ccc(c(c1)Cl)I 34a_100000761885_100011217306 [0,1,0,0,0,0|2,1,0]=4 5982 B12R1.385 FCCNc1ccc(c(c1)F)Br 2230a_100000759894_100011217306 [0,1,0,0,0,0|2,1,0]=4 5983 B12R1.385 FCCNc1ccc(c(c1)F)Br 34a_100000759894_100011217306 [0,1,0,0,0,0|2,1,0]=4 5984 B12R1.385 FCCNc1ccc(c(c1)F)Br 7a_100000759894_100011217306 [0,1,0,0,0,0|2,1,0]=4 5985 B12R1.385 FCCNc1ccc(c(c1)F)Cl 2230a_100000739366_100011217306 [0,1,0,0,0,0|2,0,0]=3 5986 B12R1.385 FCCNc1ccc(c(c1)F)Cl 34a_100000739366_100011217306 [0,1,0,0,0,0|2,0,0]=3 5987 B12R1.385 FCCNc1ccc(c(c1)F)Cl 7a_100000739366_100011217306 [0,1,0,0,0,0|2,0,0]=3 5988 B12R1.385 FCCNc1ccc(c(c1)F)F 2230a_100000210724_100011217306 [0,1,0,0,0,0|2,1,0]=4 5989 B12R1.385 FCCNc1ccc(c(c1)F)F 34a_100000210724_100011217306 [0,1,0,0,0,0|2,1,0]=4 5990 B12R1.385 FCCNc1ccc(c(c1)F)F 7a_100000210724_100011217306 [0,1,0,0,0,0|2,1,0]=4 5991 B12R1.385 FCCNc1ccc(c(c1)F)I 34a_100011356925_100011217306 [0,1,0,0,0,0|2,1,0]=4 5992 B12R1.385 FCCNc1ccc(c(c1)F)I 7a_100011356925_100011217306 [0,1,0,0,0,0|2,1,0]=4 5993 B12R1.385 FCCNc1ccc(c(c1)I)Br 34a_100000750459_100011217306 [0,1,0,0,0,0|2,1,0]=4 5994 B12R1.385 FCCNc1ccc(c(c1)I)Cl 34a_100012360549_100011217306 [0,1,0,0,0,0|2,0,0]=3 5995 B12R1.385 FCCNc1ccc(c(c1)I)F 34a_114828291077_100011217306 [0,1,0,0,0,0|2,1,0]=4 5996 B12R1.385 FCCNc1ccc(c(c1)I)F 7a_114828291077_100011217306 [0,1,0,0,0,0|2,1,0]=4 5997 B12R1.385 FCCOc1cc(c(cn1)Br)Cl 34a_100010369989_100011217306 [0,1,0,0,0,0|2,1,0]=4 5998 B12R1.385 FCCOc1cc(c(cn1)Cl)Cl 34a_200000099200_100011217306 [0,1,0,0,0,0|2,0,0]=3 5999 B12R1.385 FCCOc1ccc(c(c1)Br)Cl 34a_100011933957_100011217306 [0,1,0,0,0,0|1,0,0]=2 6000 B12R1.385 FCCOc1ccc(c(c1)Br)Cl 7a_100011933957_100011217306 [0,1,0,0,0,0|1,0,0]=2 6001 B12R1.385 FCCOc1ccc(c(c1)Br)F 34a_100000693481_100011217306 [0,1,0,0,0,0|1,1,0]=3 6002 B12R1.385 FCCOc1ccc(c(c1)Br)F 7a_100000693481_100011217306 [0,1,0,0,0,0|1,1,0]=3 6003 B12R1.385 FCCOc1ccc(c(c1)Br)I 34a_100000701344_100011217306 [0,1,0,0,0,0|1,1,0]=3 6004 B12R1.385 FCCOc1ccc(c(c1)Br)I 7a_100000701344_100011217306 [0,1,0,0,0,0|1,1,0]=3 6005 B12R1.385 FCCOc1ccc(c(c1)Cl)Br 34a_100011215161_100011217306 [0,1,0,0,0,0|1,1,0]=3 6006 B12R1.385 FCCOc1ccc(c(c1)Cl)Br 7a_100011215161_100011217306 [0,1,0,0,0,0|1,1,0]=3 6007 B12R1.385 FCCOc1ccc(c(c1)Cl)Cl 34a_100000211054_100011217306 [0,1,0,0,0,0|1,0,0]=2 6008 B12R1.385 FCCOc1ccc(c(c1)Cl)Cl 7a_100000211054_100011217306 [0,1,0,0,0,0|1,0,0]=2 6009 B12R1.385 FCCOc1ccc(c(c1)Cl)F 34a_100000211030_100011217306 [0,1,0,0,0,0|1,1,0]=3 6010 B12R1.385 FCCOc1ccc(c(c1)Cl)F 7a_100000211030_100011217306 [0,1,0,0,0,0|1,1,0]=3 6011 B12R1.385 FCCOc1ccc(c(c1)Cl)I 34a_100000047559_100011217306 [0,1,0,0,0,0|1,1,0]=3 6012 B12R1.385 FCCOc1ccc(c(c1)Cl)I 7a_100000047559_100011217306 [0,1,0,0,0,0|1,1,0]=3 6013 B12R1.385 FCCOc1ccc(c(c1)F)Br 34a_100000755031_100011217306 [0,1,0,0,0,0|1,1,0]=3 6014 B12R1.385 FCCOc1ccc(c(c1)F)Br 7a_100000755031_100011217306 [0,1,0,0,0,0|1,1,0]=3 6015 B12R1.385 FCCOc1ccc(c(c1)F)Cl 34a_100000691581_100011217306 [0,1,0,0,0,0|1,0,0]=2 6016 B12R1.385 FCCOc1ccc(c(c1)F)Cl 7a_100000691581_100011217306 [0,1,0,0,0,0|1,0,0]=2 6017 B12R1.385 FCCOc1ccc(c(c1)F)F 34a_100000181275_100011217306 [0,1,0,0,0,0|1,1,0]=3 6018 B12R1.385 FCCOc1ccc(c(c1)F)F 7a_100000181275_100011217306 [0,1,0,0,0,0|1,1,0]=3 6019 B12R1.385 FCCOc1ccc(c(c1)F)I 34a_100009990212_100011217306 [0,1,0,0,0,0|1,1,0]=3 6020 B12R1.385 FCCOc1ccc(c(c1)F)I 7a_100009990212_100011217306 [0,1,0,0,0,0|1,1,0]=3 6021 B12R1.385 FCCOc1ccc(c(c1)I)Br 34a_100012339312_100011217306 [0,1,0,0,0,0|1,1,0]=3 6022 B12R1.385 FCCOc1ccc(c(c1)I)Br 7a_100012339312_100011217306 [0,1,0,0,0,0|1,1,0]=3 6023 B12R1.385 FCCOc1ccc(c(c1)I)Cl 34a_100000049588_100011217306 [0,1,0,0,0,0|1,0,0]=2 6024 B12R1.385 FCCOc1ccc(c(c1)I)Cl 7a_100000049588_100011217306 [0,1,0,0,0,0|1,0,0]=2 6025 B12R1.385 FCCOc1ccc(c(n1)F)Br 34a_100009879308_100011217306 [0,1,0,0,0,0|2,1,0]=4 6026 B12R1.385 FCCOc1cnc(c(c1)Br)Cl 34a_100012356455_100011217306 [0,1,0,0,0,0|2,0,0]=3 6027 B12R1.385 FCCOc1cnc(c(c1)Br)Cl 7a_100012356455_100011217306 [0,1,0,0,0,0|2,0,0]=3 6028 B12R1.385 FCCOc1cnc(c(c1)Br)F 34a_100009817267_100011217306 [0,1,0,0,0,0|2,1,0]=4 6029 B12R1.385 FCCOc1cnc(c(c1)Br)F 7a_100009817267_100011217306 [0,1,0,0,0,0|2,1,0]=4 6030 B12R1.385 FCCOc1cnc(c(c1)Cl)Br 34a_100010209684_100011217306 [0,1,0,0,0,0|2,1,0]=4 6031 B12R1.385 FCCOc1cnc(c(c1)Cl)Br 7a_100010209684_100011217306 [0,1,0,0,0,0|2,1,0]=4 6032 B12R1.385 FCCOc1cnc(c(c1)Cl)Cl 34a_100000094354_100011217306 [0,1,0,0,0,0|2,0,0]=3 6033 B12R1.385 FCCOc1cnc(c(c1)Cl)Cl 7a_100000094354_100011217306 [0,1,0,0,0,0|2,0,0]=3 6034 B12R1.385 FCCOc1cnc(c(c1)Cl)F 34a_100000087088_100011217306 [0,1,0,0,0,0|2,1,0]=4 6035 B12R1.385 FCCOc1cnc(c(c1)Cl)F 7a_100000087088_100011217306 [0,1,0,0,0,0|2,1,0]=4 6036 B12R1.385 FCCOc1cnc(c(c1)F)Cl 34a_100000063512_100011217306 [0,1,0,0,0,0|2,0,0]=3 6037 B12R1.385 FCCOc1cnc(c(c1)F)Cl 7a_100000063512_100011217306 [0,1,0,0,0,0|2,0,0]=3 6038 B12R1.385 FCCSc1ccc(c(c1)Br)Br 62a_100011217306_100012356285 [0,1,0,0,0,0|1,2,0]=4 6039 B12R1.385 FCCSc1ccc(c(c1)Br)Br 62a_100012356285_100011217306 [0,1,0,0,0,0|1,2,0]=4 6040 B12R1.385 FCCSc1ccc(c(c1)Br)Cl 62a_100011217306_100012353702 [0,1,0,0,0,0|1,1,0]=3 6041 B12R1.385 FCCSc1ccc(c(c1)Br)Cl 62a_100012353702_100011217306 [0,1,0,0,0,0|1,1,0]=3 6042 B12R1.385 FCCSc1ccc(c(c1)Br)F 62a_100011217306_100012047266 [0,1,0,0,0,0|1,2,0]=4 6043 B12R1.385 FCCSc1ccc(c(c1)Br)F 62a_100012047266_100011217306 [0,1,0,0,0,0|1,2,0]=4 6044 B12R1.385 FCCSc1ccc(c(c1)Cl)Br 62a_100011217306_100012047281 [0,1,0,0,0,0|1,2,0]=4 6045 B12R1.385 FCCSc1ccc(c(c1)Cl)Br 62a_100012047281_100011217306 [0,1,0,0,0,0|1,2,0]=4 6046 B12R1.385 FCCSc1ccc(c(c1)Cl)Cl 62a_100011214914_100011217306 [0,1,0,0,0,0|1,1,0]=3 6047 B12R1.385 FCCSc1ccc(c(c1)Cl)Cl 62a_100011217306_100011214914 [0,1,0,0,0,0|1,1,0]=3 6048 B12R1.385 FCCSc1ccc(c(c1)Cl)F 62a_100011215976_100011217306 [0,1,0,0,0,0|1,2,0]=4 6049 B12R1.385 FCCSc1ccc(c(c1)Cl)F 62a_100011217306_100011215976 [0,1,0,0,0,0|1,2,0]=4 6050 B12R1.385 FCCSc1ccc(c(c1)F)Br 62a_100000685389_100011217306 [0,1,0,0,0,0|1,2,0]=4 6051 B12R1.385 FCCSc1ccc(c(c1)F)Br 62a_100011217306_100000685389 [0,1,0,0,0,0|1,2,0]=4 6052 B12R1.385 FCCSc1ccc(c(c1)F)Cl 62a_100011216805_100011217306 [0,1,0,0,0,0|1,1,0]=3 6053 B12R1.385 FCCSc1ccc(c(c1)F)Cl 62a_100011217306_100011216805 [0,1,0,0,0,0|1,1,0]=3 6054 B12R1.385 FCCSc1ccc(c(c1)F)F 62a_100000703953_100011217306 [0,1,0,0,0,0|1,2,0]=4 6055 B12R1.385 FCCSc1ccc(c(c1)F)F 62a_100011217306_100000703953 [0,1,0,0,0,0|1,2,0]=4 6056 B12R1.385 FCCSc1cnc(c(c1)Br)Cl 62a_100010172733_100011217306 [0,1,0,0,0,0|2,1,0]=4 6057 B12R1.385 FCCSc1cnc(c(c1)Br)Cl 62a_100011217306_100010172733 [0,1,0,0,0,0|2,1,0]=4 6058 B12R1.385 FCNCc1ccc(c(c1)Br)Cl 34a_100012349490_100015361967 [0,1,0,0,0,0|3,0,0]=4 6059 B12R1.385 FCNCc1ccc(c(c1)Cl)Cl 34a_100000174881_100015361967 [0,1,0,0,0,0|3,0,0]=4 6060 B12R1.385 FCNCc1ccc(c(c1)F)Cl 34a_100011219866_100015361967 [0,1,0,0,0,0|3,0,0]=4 6061 B12R1.385 FCOCc1ccc(c(c1)Br)Cl 34a_100012353893_100015361967 [0,1,0,0,0,0|3,0,0]=4 6062 B12R1.385 FCOCc1ccc(c(c1)Br)Cl 7a_100012353893_100015361967 [0,1,0,0,0,0|3,0,0]=4 6063 B12R1.385 FCOCc1ccc(c(c1)Cl)Cl 34a_100000211588_100015361967 [0,1,0,0,0,0|3,0,0]=4 6064 B12R1.385 FCOCc1ccc(c(c1)Cl)Cl 7a_100000211588_100015361967 [0,1,0,0,0,0|3,0,0]=4 6065 B12R1.385 FCOCc1ccc(c(c1)F)Cl 34a_100011218299_100015361967 [0,1,0,0,0,0|3,0,0]=4 6066 B12R1.385 FCOCc1ccc(c(c1)F)Cl 7a_100011218299_100015361967 [0,1,0,0,0,0|3,0,0]=4 6067 B12R1.385 FCSCc1ccc(c(c1)Br)Cl 62a_100012353894_100015361967 [0,1,0,0,0,0|3,0,0]=4 6068 B12R1.385 FCSCc1ccc(c(c1)Br)Cl 62a_100015361967_100012353894 [0,1,0,0,0,0|3,0,0]=4 6069 B12R1.385 FCSCc1ccc(c(c1)Cl)Cl 62a_100000184707_100015361967 [0,1,0,0,0,0|3,0,0]=4 6070 B12R1.385 FCSCc1ccc(c(c1)Cl)Cl 62a_100015361967_100000184707 [0,1,0,0,0,0|3,0,0]=4 6071 B12R1.385 FCSCc1ccc(c(c1)F)Cl 62a_100000716492_100015361967 [0,1,0,0,0,0|3,0,0]=4 6072 B12R1.385 FCSCc1ccc(c(c1)F)Cl 62a_100015361967_100000716492 [0,1,0,0,0,0|3,0,0]=4 6073 B12R1.385 N#CCNc1ccc(c(c1)Br)Cl 2230a_100000686031_100011215382 [0,1,0,0,0,0|2,0,1]=4 6074 B12R1.385 N#CCNc1ccc(c(c1)Cl)Cl 2230a_100000184108_100011215382 [0,1,0,0,0,0|2,0,1]=4 6075 B12R1.385 N#CCNc1ccc(c(c1)F)Cl 2230a_100000739366_100011215382 [0,1,0,0,0,0|2,0,1]=4 6076 B12R1.385 N#CCNc1ccc(c(c1)F)Cl 7a_100000739366_100011215382 [0,1,0,0,0,0|2,0,1]=4 6077 B12R1.385 N#CCOc1ccc(c(c1)Br)Cl 7a_100011933957_100011215382 [0,1,0,0,0,0|1,0,1]=3 6078 B12R1.385 N#CCOc1ccc(c(c1)Br)F 7a_100000693481_100011215382 [0,1,0,0,0,0|1,1,1]=4 6079 B12R1.385 N#CCOc1ccc(c(c1)Br)I 7a_100000701344_100011215382 [0,1,0,0,0,0|1,1,1]=4 6080 B12R1.385 N#CCOc1ccc(c(c1)Br)N 7a_100012001276_100011215382 [0,1,0,0,0,0|2,0,1]=4 6081 B12R1.385 N#CCOc1ccc(c(c1)Cl)Br 7a_100011215161_100011215382 [0,1,0,0,0,0|1,1,1]=4 6082 B12R1.385 N#CCOc1ccc(c(c1)Cl)Cl 7a_100000211054_100011215382 [0,1,0,0,0,0|1,0,1]=3 6083 B12R1.385 N#CCOc1ccc(c(c1)Cl)F 7a_100000211030_100011215382 [0,1,0,0,0,0|1,1,1]=4 6084 B12R1.385 N#CCOc1ccc(c(c1)Cl)I 7a_100000047559_100011215382 [0,1,0,0,0,0|1,1,1]=4 6085 B12R1.385 N#CCOc1ccc(c(c1)Cl)N 7a_100011215599_100011215382 [0,1,0,0,0,0|2,0,1]=4 6086 B12R1.385 N#CCOc1ccc(c(c1)F)Br 7a_100000755031_100011215382 [0,1,0,0,0,0|1,1,1]=4 6087 B12R1.385 N#CCOc1ccc(c(c1)F)Cl 7a_100000691581_100011215382 [0,1,0,0,0,0|1,0,1]=3 6088 B12R1.385 N#CCOc1ccc(c(c1)F)F 7a_100000181275_100011215382 [0,1,0,0,0,0|1,1,1]=4 6089 B12R1.385 N#CCOc1ccc(c(c1)F)I 7a_100009990212_100011215382 [0,1,0,0,0,0|1,1,1]=4 6090 B12R1.385 N#CCOc1ccc(c(c1)F)N 7a_100000759473_100011215382 [0,1,0,0,0,0|2,0,1]=4 6091 B12R1.385 N#CCOc1ccc(c(c1)I)Br 7a_100012339312_100011215382 [0,1,0,0,0,0|1,1,1]=4 6092 B12R1.385 N#CCOc1ccc(c(c1)I)Cl 7a_100000049588_100011215382 [0,1,0,0,0,0|1,0,1]=3 6093 B12R1.385 N#CCOc1ccc(c(c1)I)N 7a_100010084370_100011215382 [0,1,0,0,0,0|2,0,1]=4 6094 B12R1.385 N#CCOc1ccc(c(c1)N)Br 7a_100011999798_100011215382 [0,1,0,0,0,0|1,1,1]=4 6095 B12R1.385 N#CCOc1ccc(c(c1)N)F 7a_100012017239_100011215382 [0,1,0,0,0,0|1,1,1]=4 6096 B12R1.385 N#CCOc1cnc(c(c1)Br)Cl 7a_100012356455_100011215382 [0,1,0,0,0,0|2,0,1]=4 6097 B12R1.385 N#CCOc1cnc(c(c1)Cl)Cl 7a_100000094354_100011215382 [0,1,0,0,0,0|2,0,1]=4 6098 B12R1.385 N#CCOc1cnc(c(c1)F)Cl 7a_100000063512_100011215382 [0,1,0,0,0,0|2,0,1]=4 6099 B12R1.385 N#CCSc1ccc(c(c1)Br)Cl 62a_100011215382_100012353702 [0,1,0,0,0,0|1,1,1]=4 6100 B12R1.385 N#CCSc1ccc(c(c1)Br)Cl 62a_100012353702_100011215382 [0,1,0,0,0,0|1,1,1]=4 6101 B12R1.385 N#CCSc1ccc(c(c1)Cl)Cl 62a_100011214914_100011215382 [0,1,0,0,0,0|1,1,1]=4 6102 B12R1.385 N#CCSc1ccc(c(c1)Cl)Cl 62a_100011215382_100011214914 [0,1,0,0,0,0|1,1,1]=4 6103 B12R1.385 N#CCSc1ccc(c(c1)F)Cl 62a_100011215382_100011216805 [0,1,0,0,0,0|1,1,1]=4 6104 B12R1.385 N#CCSc1ccc(c(c1)F)Cl 62a_100011216805_100011215382 [0,1,0,0,0,0|1,1,1]=4 6105 B12R1.385 N#CCSc1ccc(c(c1)N)Cl 62a_100011215382_200000761891 [0,1,0,0,0,0|1,1,1]=4 6106 B12R1.385 N#CCSc1ccc(c(c1)N)Cl 62a_200000761891_100011215382 [0,1,0,0,0,0|1,1,1]=4 6107 B12R1.385 N#CCSc1ccc(c(c1)O)Cl 62a_100011215382_100011356854 [0,1,0,0,0,0|1,1,1]=4 6108 B12R1.385 N#CCSc1ccc(c(c1)O)Cl 62a_100011356854_100011215382 [0,1,0,0,0,0|1,1,1]=4 6109 B12R1.385 Nc1cc(ccc1Br)OCC=O 34a_100011999798_200009817547 [0,1,0,0,0,0|0,1,2]=4 6110 B12R1.385 Nc1cc(ccc1Br)OCC=O 7a_100011999798_200015260668 [0,1,0,0,0,0|0,1,2]=4 6111 B12R1.385 Nc1cc(ccc1Br)OCCF 34a_100011999798_100011217306 [0,1,0,0,0,0|1,1,0]=3 6112 B12R1.385 Nc1cc(ccc1Br)OCCF 7a_100011999798_100011217306 [0,1,0,0,0,0|1,1,0]=3 6113 B12R1.385 Nc1cc(ccc1Br)OCCO 34a_100011999798_100000211926 [0,1,0,0,0,0|0,1,0]=2 6114 B12R1.385 Nc1cc(ccc1Br)OCCO 7a_100011999798_100000211926 [0,1,0,0,0,0|0,1,0]=2 6115 B12R1.385 Nc1cc(ccc1Br)SCCF 62a_100000750456_100011217306 [0,1,0,0,0,0|1,2,0]=4 6116 B12R1.385 Nc1cc(ccc1Br)SCCF 62a_100011217306_100000750456 [0,1,0,0,0,0|1,2,0]=4 6117 B12R1.385 Nc1cc(ccc1Br)SCCO 62a_100000211926_100000750456 [0,1,0,0,0,0|0,2,0]=3 6118 B12R1.385 Nc1cc(ccc1Br)SCCO 62a_100000750456_100000211926 [0,1,0,0,0,0|0,2,0]=3 6119 B12R1.385 Nc1cc(ccc1Cl)COCF 34a_106256033963_100015361967 [0,1,0,0,0,0|3,0,0]=4 6120 B12R1.385 Nc1cc(ccc1Cl)OCC=O 34a_100011934297_200009817547 [0,1,0,0,0,0|0,0,2]=3 6121 B12R1.385 Nc1cc(ccc1Cl)OCCF 34a_100011934297_100011217306 [0,1,0,0,0,0|1,0,0]=2 6122 B12R1.385 Nc1cc(ccc1Cl)OCCO 34a_100011934297_100000211926 [0,1,0,0,0,0|0,0,0]=1 6123 B12R1.385 Nc1cc(ccc1Cl)SCC=O 62a_200000761891_200015260668 [0,1,0,0,0,0|0,1,2]=4 6124 B12R1.385 Nc1cc(ccc1Cl)SCC=O 62a_200015260668_200000761891 [0,1,0,0,0,0|0,1,2]=4 6125 B12R1.385 Nc1cc(ccc1Cl)SCCF 62a_100011217306_200000761891 [0,1,0,0,0,0|1,1,0]=3 6126 B12R1.385 Nc1cc(ccc1Cl)SCCF 62a_200000761891_100011217306 [0,1,0,0,0,0|1,1,0]=3 6127 B12R1.385 Nc1cc(ccc1Cl)SCCO 62a_100000211926_200000761891 [0,1,0,0,0,0|0,1,0]=2 6128 B12R1.385 Nc1cc(ccc1Cl)SCCO 62a_200000761891_100000211926 [0,1,0,0,0,0|0,1,0]=2 6129 B12R1.385 Nc1cc(ccc1F)OCC=O 34a_100012017239_200009817547 [0,1,0,0,0,0|0,1,2]=4 6130 B12R1.385 Nc1cc(ccc1F)OCC=O 7a_100012017239_200015260668 [0,1,0,0,0,0|0,1,2]=4 6131 B12R1.385 Nc1cc(ccc1F)OCCF 34a_100012017239_100011217306 [0,1,0,0,0,0|1,1,0]=3 6132 B12R1.385 Nc1cc(ccc1F)OCCF 7a_100012017239_100011217306 [0,1,0,0,0,0|1,1,0]=3 6133 B12R1.385 Nc1cc(ccc1F)OCCO 34a_100012017239_100000211926 [0,1,0,0,0,0|0,1,0]=2 6134 B12R1.385 Nc1cc(ccc1F)OCCO 7a_100012017239_100000211926 [0,1,0,0,0,0|0,1,0]=2 6135 B12R1.385 Nc1cc(ccc1F)SCCF 62a_100000740924_100011217306 [0,1,0,0,0,0|1,2,0]=4 6136 B12R1.385 Nc1cc(ccc1F)SCCF 62a_100011217306_100000740924 [0,1,0,0,0,0|1,2,0]=4 6137 B12R1.385 Nc1cc(ccc1F)SCCO 62a_100000211926_100000740924 [0,1,0,0,0,0|0,2,0]=3 6138 B12R1.385 Nc1cc(ccc1F)SCCO 62a_100000740924_100000211926 [0,1,0,0,0,0|0,2,0]=3 6139 B12R1.385 Nc1cc(ccc1O)SCCF 62a_100000752626_100011217306 [0,1,0,0,0,0|2,1,0]=4 6140 B12R1.385 Nc1cc(ccc1O)SCCF 62a_100011217306_100000752626 [0,1,0,0,0,0|2,1,0]=4 6141 B12R1.385 Nc1cc(ccc1O)SCCO 62a_100000211926_100000752626 [0,1,0,0,0,0|1,1,0]=3 6142 B12R1.385 Nc1cc(ccc1O)SCCO 62a_100000752626_100000211926 [0,1,0,0,0,0|1,1,0]=3 6143 B12R1.385 Nc1cc(cnc1Cl)SCCF 62a_100009828400_100011217306 [0,1,0,0,0,0|2,1,0]=4 6144 B12R1.385 Nc1cc(cnc1Cl)SCCF 62a_100011217306_100009828400 [0,1,0,0,0,0|2,1,0]=4 6145 B12R1.385 Nc1cc(cnc1Cl)SCCO 62a_100000211926_100009828400 [0,1,0,0,0,0|1,1,0]=3 6146 B12R1.385 Nc1cc(cnc1Cl)SCCO 62a_100009828400_100000211926 [0,1,0,0,0,0|1,1,0]=3 6147 B12R1.385 Nc1cc(cnc1F)SCCO 62a_100000211926_100009816798 [0,1,0,0,0,0|1,2,0]=4 6148 B12R1.385 Nc1cc(cnc1F)SCCO 62a_100009816798_100000211926 [0,1,0,0,0,0|1,2,0]=4 6149 B12R1.385 Nc1cc(cnc1N)SCCO 62a_100000184470_100000211926 [0,1,0,0,0,0|2,1,0]=4 6150 B12R1.385 Nc1cc(cnc1N)SCCO 62a_100000211926_100000184470 [0,1,0,0,0,0|2,1,0]=4 6151 B12R1.385 Nc1cc(cnc1O)SCCO 62a_100000211926_100000743729 [0,1,0,0,0,0|2,1,0]=4 6152 B12R1.385 Nc1cc(cnc1O)SCCO 62a_100000743729_100000211926 [0,1,0,0,0,0|2,1,0]=4 6153 B12R1.385 Nc1cc(ncc1F)SCCO 62a_100000126464_100000211926 [0,1,0,0,0,0|1,2,0]=4 6154 B12R1.385 Nc1cc(ncc1F)SCCO 62a_100000211926_100000126464 [0,1,0,0,0,0|1,2,0]=4 6155 B12R1.385 Nc1cc(ncc1O)SCCO 62a_100000211926_100009819941 [0,1,0,0,0,0|2,1,0]=4 6156 B12R1.385 Nc1cc(ncc1O)SCCO 62a_100009819941_100000211926 [0,1,0,0,0,0|2,1,0]=4 6157 B12R1.385 Nc1ccc(cc1Br)OCC=O 34a_100012001276_200009817547 [0,1,0,0,0,0|1,0,2]=4 6158 B12R1.385 Nc1ccc(cc1Br)OCC=O 7a_100012001276_200015260668 [0,1,0,0,0,0|1,0,2]=4 6159 B12R1.385 Nc1ccc(cc1Br)OCCF 34a_100012001276_100011217306 [0,1,0,0,0,0|2,0,0]=3 6160 B12R1.385 Nc1ccc(cc1Br)OCCF 7a_100012001276_100011217306 [0,1,0,0,0,0|2,0,0]=3 6161 B12R1.385 Nc1ccc(cc1Br)OCCO 34a_100012001276_100000211926 [0,1,0,0,0,0|1,0,0]=2 6162 B12R1.385 Nc1ccc(cc1Br)OCCO 7a_100012001276_100000211926 [0,1,0,0,0,0|1,0,0]=2 6163 B12R1.385 Nc1ccc(cc1Br)SCCF 62a_100000750455_100011217306 [0,1,0,0,0,0|2,1,0]=4 6164 B12R1.385 Nc1ccc(cc1Br)SCCF 62a_100011217306_100000750455 [0,1,0,0,0,0|2,1,0]=4 6165 B12R1.385 Nc1ccc(cc1Br)SCCO 62a_100000211926_100000750455 [0,1,0,0,0,0|1,1,0]=3 6166 B12R1.385 Nc1ccc(cc1Br)SCCO 62a_100000750455_100000211926 [0,1,0,0,0,0|1,1,0]=3 6167 B12R1.385 Nc1ccc(cc1Cl)OCC=O 34a_100011215599_200009817547 [0,1,0,0,0,0|1,0,2]=4 6168 B12R1.385 Nc1ccc(cc1Cl)OCC=O 7a_100011215599_200015260668 [0,1,0,0,0,0|1,0,2]=4 6169 B12R1.385 Nc1ccc(cc1Cl)OCCF 34a_100011215599_100011217306 [0,1,0,0,0,0|2,0,0]=3 6170 B12R1.385 Nc1ccc(cc1Cl)OCCF 7a_100011215599_100011217306 [0,1,0,0,0,0|2,0,0]=3 6171 B12R1.385 Nc1ccc(cc1Cl)OCCO 34a_100011215599_100000211926 [0,1,0,0,0,0|1,0,0]=2 6172 B12R1.385 Nc1ccc(cc1Cl)OCCO 7a_100011215599_100000211926 [0,1,0,0,0,0|1,0,0]=2 6173 B12R1.385 Nc1ccc(cc1Cl)SCCF 62a_100011217306_100011218065 [0,1,0,0,0,0|2,1,0]=4 6174 B12R1.385 Nc1ccc(cc1Cl)SCCF 62a_100011218065_100011217306 [0,1,0,0,0,0|2,1,0]=4 6175 B12R1.385 Nc1ccc(cc1Cl)SCCO 62a_100000211926_100011218065 [0,1,0,0,0,0|1,1,0]=3 6176 B12R1.385 Nc1ccc(cc1Cl)SCCO 62a_100011218065_100000211926 [0,1,0,0,0,0|1,1,0]=3 6177 B12R1.385 Nc1ccc(cc1F)OCC=O 34a_100000759473_200009817547 [0,1,0,0,0,0|1,0,2]=4 6178 B12R1.385 Nc1ccc(cc1F)OCC=O 7a_100000759473_200015260668 [0,1,0,0,0,0|1,0,2]=4 6179 B12R1.385 Nc1ccc(cc1F)OCCF 34a_100000759473_100011217306 [0,1,0,0,0,0|2,0,0]=3 6180 B12R1.385 Nc1ccc(cc1F)OCCF 7a_100000759473_100011217306 [0,1,0,0,0,0|2,0,0]=3 6181 B12R1.385 Nc1ccc(cc1F)OCCO 34a_100000759473_100000211926 [0,1,0,0,0,0|1,0,0]=2 6182 B12R1.385 Nc1ccc(cc1F)OCCO 7a_100000759473_100000211926 [0,1,0,0,0,0|1,0,0]=2 6183 B12R1.385 Nc1ccc(cc1F)SCCF 62a_100011215594_100011217306 [0,1,0,0,0,0|2,1,0]=4 6184 B12R1.385 Nc1ccc(cc1F)SCCF 62a_100011217306_100011215594 [0,1,0,0,0,0|2,1,0]=4 6185 B12R1.385 Nc1ccc(cc1F)SCCO 62a_100000211926_100011215594 [0,1,0,0,0,0|1,1,0]=3 6186 B12R1.385 Nc1ccc(cc1F)SCCO 62a_100011215594_100000211926 [0,1,0,0,0,0|1,1,0]=3 6187 B12R1.385 Nc1ccc(cc1I)OCC=O 34a_100010084370_200009817547 [0,1,0,0,0,0|1,0,2]=4 6188 B12R1.385 Nc1ccc(cc1I)OCC=O 7a_100010084370_200015260668 [0,1,0,0,0,0|1,0,2]=4 6189 B12R1.385 Nc1ccc(cc1I)OCCF 34a_100010084370_100011217306 [0,1,0,0,0,0|2,0,0]=3 6190 B12R1.385 Nc1ccc(cc1I)OCCF 7a_100010084370_100011217306 [0,1,0,0,0,0|2,0,0]=3 6191 B12R1.385 Nc1ccc(cc1I)OCCO 34a_100010084370_100000211926 [0,1,0,0,0,0|1,0,0]=2 6192 B12R1.385 Nc1ccc(cc1I)OCCO 7a_100010084370_100000211926 [0,1,0,0,0,0|1,0,0]=2 6193 B12R1.385 Nc1ccc(cc1N)OCC=O 34a_100025771000_200009817547 [0,1,0,0,0,0|1,0,2]=4 6194 B12R1.385 Nc1ccc(cc1N)OCCF 34a_100025771000_100011217306 [0,1,0,0,0,0|2,0,0]=3 6195 B12R1.385 Nc1ccc(cc1N)OCCO 34a_100025771000_100000211926 [0,1,0,0,0,0|1,0,0]=2 6196 B12R1.385 Nc1ccc(cc1N)SCCF 62a_100000741789_100011217306 [0,1,0,0,0,0|2,1,0]=4 6197 B12R1.385 Nc1ccc(cc1N)SCCF 62a_100011217306_100011534411 [0,1,0,0,0,0|2,1,0]=4 6198 B12R1.385 Nc1ccc(cc1N)SCCO 62a_100000211926_100011534411 [0,1,0,0,0,0|1,1,0]=3 6199 B12R1.385 Nc1ccc(cc1N)SCCO 62a_100000741789_100000211926 [0,1,0,0,0,0|1,1,0]=3 6200 B12R1.385 Nc1ccc(cc1O)SCCF 62a_100000739049_100011217306 [0,1,0,0,0,0|2,1,0]=4 6201 B12R1.385 Nc1ccc(cc1O)SCCF 62a_100011217306_100000739049 [0,1,0,0,0,0|2,1,0]=4 6202 B12R1.385 Nc1ccc(cc1O)SCCO 62a_100000211926_100000739049 [0,1,0,0,0,0|1,1,0]=3 6203 B12R1.385 Nc1ccc(cc1O)SCCO 62a_100000739049_100000211926 [0,1,0,0,0,0|1,1,0]=3 6204 B12R1.385 Nc1ccc(nc1Cl)SCCO 62a_100000211926_200010233646 [0,1,0,0,0,0|2,1,0]=4 6205 B12R1.385 Nc1ccc(nc1Cl)SCCO 62a_200010233646_100000211926 [0,1,0,0,0,0|2,1,0]=4 6206 B12R1.385 Nc1ccc(nc1F)SCCO 62a_100000211926_100009856439 [0,1,0,0,0,0|2,1,0]=4 6207 B12R1.385 Nc1ccc(nc1F)SCCO 62a_100009856439_100000211926 [0,1,0,0,0,0|2,1,0]=4 6208 B12R1.385 Nc1ccc(nc1N)SCCO 62a_100000747239_100000211926 [0,1,0,0,0,0|2,1,0]=4 6209 B12R1.385 Nc1ccc(nc1O)SCCO 62a_100000718904_100000211926 [0,1,0,0,0,0|2,1,0]=4 6210 B12R1.385 Nc1cnc(cc1N)SCCO 62a_100000067514_100000211926 [0,1,0,0,0,0|2,1,0]=4 6211 B12R1.385 Nc1cnc(cc1N)SCCO 62a_100000211926_100000067514 [0,1,0,0,0,0|2,1,0]=4 6212 B12R1.385 Nc1nc(ccc1F)SCCO 62a_100000211926_100016091773 [0,1,0,0,0,0|1,2,0]=4 6213 B12R1.385 Nc1nc(ccc1F)SCCO 62a_100016091773_100000211926 [0,1,0,0,0,0|1,2,0]=4 6214 B12R1.385 Nc1nc(ccc1O)SCCO 62a_100000211926_100000685527 [0,1,0,0,0,0|2,1,0]=4 6215 B12R1.385 Nc1nc(ccc1O)SCCO 62a_100000685527_100000211926 [0,1,0,0,0,0|2,1,0]=4 6216 B12R1.385 Nc1ncc(cc1Br)SCCO 62a_100000211926_100012353989 [0,1,0,0,0,0|2,1,0]=4 6217 B12R1.385 Nc1ncc(cc1Br)SCCO 62a_100012353989_100000211926 [0,1,0,0,0,0|2,1,0]=4 6218 B12R1.385 Nc1ncc(cc1Cl)SCCO 62a_100000211926_100012356299 [0,1,0,0,0,0|2,1,0]=4 6219 B12R1.385 Nc1ncc(cc1Cl)SCCO 62a_100012356299_100000211926 [0,1,0,0,0,0|2,1,0]=4 6220 B12R1.385 Nc1ncc(cc1F)SCCO 62a_100000211926_100000693161 [0,1,0,0,0,0|2,1,0]=4 6221 B12R1.385 Nc1ncc(cc1F)SCCO 62a_100000693161_100000211926 [0,1,0,0,0,0|2,1,0]=4 6222 B12R1.385 Nc1ncc(cc1O)SCCO 62a_100000211926_100009819042 [0,1,0,0,0,0|2,1,0]=4 6223 B12R1.385 Nc1ncc(cc1O)SCCO 62a_100009819042_100000211926 [0,1,0,0,0,0|2,1,0]=4 6224 B12R1.385 O=CCNc1ccc(c(c1)Br)Cl 2230a_100000686031_200015260668 [0,1,0,0,0,0|1,0,2]=4 6225 B12R1.385 O=CCNc1ccc(c(c1)Br)Cl 34a_100000686031_200009817547 [0,1,0,0,0,0|1,0,2]=4 6226 B12R1.385 O=CCNc1ccc(c(c1)Cl)Cl 2230a_100000184108_200015260668 [0,1,0,0,0,0|1,0,2]=4 6227 B12R1.385 O=CCNc1ccc(c(c1)Cl)Cl 34a_100000184108_200009817547 [0,1,0,0,0,0|1,0,2]=4 6228 B12R1.385 O=CCNc1ccc(c(c1)F)Cl 2230a_100000739366_200015260668 [0,1,0,0,0,0|1,0,2]=4 6229 B12R1.385 O=CCNc1ccc(c(c1)F)Cl 34a_100000739366_200009817547 [0,1,0,0,0,0|1,0,2]=4 6230 B12R1.385 O=CCNc1ccc(c(c1)F)Cl 7a_100000739366_200015260668 [0,1,0,0,0,0|1,0,2]=4 6231 B12R1.385 O=CCNc1ccc(c(c1)I)Cl 34a_100012360549_200009817547 [0,1,0,0,0,0|1,0,2]=4 6232 B12R1.385 O=CCNc1ccc(c(c1)O)Cl 34a_100011934209_200009817547 [0,1,0,0,0,0|1,0,2]=4 6233 B12R1.385 O=CCOc1cc(c(cn1)Cl)Cl 34a_200000099200_200009817547 [0,1,0,0,0,0|1,0,2]=4 6234 B12R1.385 O=CCOc1ccc(c(c1)Br)Cl 34a_100011933957_200009817547 [0,1,0,0,0,0|0,0,2]=3 6235 B12R1.385 O=CCOc1ccc(c(c1)Br)Cl 7a_100011933957_200015260668 [0,1,0,0,0,0|0,0,2]=3 6236 B12R1.385 O=CCOc1ccc(c(c1)Br)F 34a_100000693481_200009817547 [0,1,0,0,0,0|0,1,2]=4 6237 B12R1.385 O=CCOc1ccc(c(c1)Br)F 7a_100000693481_200015260668 [0,1,0,0,0,0|0,1,2]=4 6238 B12R1.385 O=CCOc1ccc(c(c1)Br)I 34a_100000701344_200009817547 [0,1,0,0,0,0|0,1,2]=4 6239 B12R1.385 O=CCOc1ccc(c(c1)Br)I 7a_100000701344_200015260668 [0,1,0,0,0,0|0,1,2]=4 6240 B12R1.385 O=CCOc1ccc(c(c1)Cl)Br 34a_100011215161_200009817547 [0,1,0,0,0,0|0,1,2]=4 6241 B12R1.385 O=CCOc1ccc(c(c1)Cl)Br 7a_100011215161_200015260668 [0,1,0,0,0,0|0,1,2]=4 6242 B12R1.385 O=CCOc1ccc(c(c1)Cl)Cl 34a_100000211054_200009817547 [0,1,0,0,0,0|0,0,2]=3 6243 B12R1.385 O=CCOc1ccc(c(c1)Cl)Cl 7a_100000211054_200015260668 [0,1,0,0,0,0|0,0,2]=3 6244 B12R1.385 O=CCOc1ccc(c(c1)Cl)F 34a_100000211030_200009817547 [0,1,0,0,0,0|0,1,2]=4 6245 B12R1.385 O=CCOc1ccc(c(c1)Cl)F 7a_100000211030_200015260668 [0,1,0,0,0,0|0,1,2]=4 6246 B12R1.385 O=CCOc1ccc(c(c1)Cl)I 34a_100000047559_200009817547 [0,1,0,0,0,0|0,1,2]=4 6247 B12R1.385 O=CCOc1ccc(c(c1)Cl)I 7a_100000047559_200015260668 [0,1,0,0,0,0|0,1,2]=4 6248 B12R1.385 O=CCOc1ccc(c(c1)F)Br 34a_100000755031_200009817547 [0,1,0,0,0,0|0,1,2]=4 6249 B12R1.385 O=CCOc1ccc(c(c1)F)Br 7a_100000755031_200015260668 [0,1,0,0,0,0|0,1,2]=4 6250 B12R1.385 O=CCOc1ccc(c(c1)F)Cl 34a_100000691581_200009817547 [0,1,0,0,0,0|0,0,2]=3 6251 B12R1.385 O=CCOc1ccc(c(c1)F)Cl 7a_100000691581_200015260668 [0,1,0,0,0,0|0,0,2]=3 6252 B12R1.385 O=CCOc1ccc(c(c1)F)F 34a_100000181275_200009817547 [0,1,0,0,0,0|0,1,2]=4 6253 B12R1.385 O=CCOc1ccc(c(c1)F)F 7a_100000181275_200015260668 [0,1,0,0,0,0|0,1,2]=4 6254 B12R1.385 O=CCOc1ccc(c(c1)F)I 34a_100009990212_200009817547 [0,1,0,0,0,0|0,1,2]=4 6255 B12R1.385 O=CCOc1ccc(c(c1)F)I 7a_100009990212_200015260668 [0,1,0,0,0,0|0,1,2]=4 6256 B12R1.385 O=CCOc1ccc(c(c1)I)Br 34a_100012339312_200009817547 [0,1,0,0,0,0|0,1,2]=4 6257 B12R1.385 O=CCOc1ccc(c(c1)I)Br 7a_100012339312_200015260668 [0,1,0,0,0,0|0,1,2]=4 6258 B12R1.385 O=CCOc1ccc(c(c1)I)Cl 34a_100000049588_200009817547 [0,1,0,0,0,0|0,0,2]=3 6259 B12R1.385 O=CCOc1ccc(c(c1)I)Cl 7a_100000049588_200015260668 [0,1,0,0,0,0|0,0,2]=3 6260 B12R1.385 O=CCOc1cnc(c(c1)Br)Cl 34a_100012356455_200009817547 [0,1,0,0,0,0|1,0,2]=4 6261 B12R1.385 O=CCOc1cnc(c(c1)Br)Cl 7a_100012356455_200015260668 [0,1,0,0,0,0|1,0,2]=4 6262 B12R1.385 O=CCOc1cnc(c(c1)Cl)Cl 34a_100000094354_200009817547 [0,1,0,0,0,0|1,0,2]=4 6263 B12R1.385 O=CCOc1cnc(c(c1)Cl)Cl 7a_100000094354_200015260668 [0,1,0,0,0,0|1,0,2]=4 6264 B12R1.385 O=CCOc1cnc(c(c1)F)Cl 34a_100000063512_200009817547 [0,1,0,0,0,0|1,0,2]=4 6265 B12R1.385 O=CCOc1cnc(c(c1)F)Cl 7a_100000063512_200015260668 [0,1,0,0,0,0|1,0,2]=4 6266 B12R1.385 O=CCSc1ccc(c(c1)Br)Cl 62a_100012353702_200015260668 [0,1,0,0,0,0|0,1,2]=4 6267 B12R1.385 O=CCSc1ccc(c(c1)Br)Cl 62a_200015260668_100012353702 [0,1,0,0,0,0|0,1,2]=4 6268 B12R1.385 O=CCSc1ccc(c(c1)Cl)Cl 62a_100011214914_200015260668 [0,1,0,0,0,0|0,1,2]=4 6269 B12R1.385 O=CCSc1ccc(c(c1)Cl)Cl 62a_200015260668_100011214914 [0,1,0,0,0,0|0,1,2]=4 6270 B12R1.385 O=CCSc1ccc(c(c1)F)Cl 62a_100011216805_200015260668 [0,1,0,0,0,0|0,1,2]=4 6271 B12R1.385 O=CCSc1ccc(c(c1)F)Cl 62a_200015260668_100011216805 [0,1,0,0,0,0|0,1,2]=4 6272 B12R1.385 O=CCSc1ccc(c(c1)O)Cl 62a_100011356854_200015260668 [0,1,0,0,0,0|0,1,2]=4 6273 B12R1.385 O=CCSc1ccc(c(c1)O)Cl 62a_200015260668_100011356854 [0,1,0,0,0,0|0,1,2]=4 6274 B12R1.385 O=c1[nH]cc(cc1Br)SCCO 62a_100000211926_100010125443 [0,1,0,0,0,0|2,1,0]=4 6275 B12R1.385 O=c1[nH]cc(cc1Br)SCCO 62a_100010125443_100000211926 [0,1,0,0,0,0|2,1,0]=4 6276 B12R1.385 O=c1[nH]cc(cc1F)SCCO 62a_100000211926_100000723523 [0,1,0,0,0,0|2,1,0]=4 6277 B12R1.385 O=c1[nH]cc(cc1F)SCCO 62a_100000723523_100000211926 [0,1,0,0,0,0|2,1,0]=4 6278 B12R1.385 O=c1[nH]cc(cc1O)SCCO 62a_100000211926_100009814561 [0,1,0,0,0,0|2,1,0]=4 6279 B12R1.385 OCCNc1ccc(c(c1)Br)Br 2230a_100011306057_100000211926 [0,1,0,0,0,0|1,1,0]=3 6280 B12R1.385 OCCNc1ccc(c(c1)Br)Br 34a_100011306057_100000211926 [0,1,0,0,0,0|1,1,0]=3 6281 B12R1.385 OCCNc1ccc(c(c1)Br)Br 7a_100011306057_100000211926 [0,1,0,0,0,0|1,1,0]=3 6282 B12R1.385 OCCNc1ccc(c(c1)Br)Cl 2230a_100000686031_100000211926 [0,1,0,0,0,0|1,0,0]=2 6283 B12R1.385 OCCNc1ccc(c(c1)Br)Cl 34a_100000686031_100000211926 [0,1,0,0,0,0|1,0,0]=2 6284 B12R1.385 OCCNc1ccc(c(c1)Br)F 2230a_100000760356_100000211926 [0,1,0,0,0,0|1,1,0]=3 6285 B12R1.385 OCCNc1ccc(c(c1)Br)F 34a_100000760356_100000211926 [0,1,0,0,0,0|1,1,0]=3 6286 B12R1.385 OCCNc1ccc(c(c1)Br)F 7a_100000760356_100000211926 [0,1,0,0,0,0|1,1,0]=3 6287 B12R1.385 OCCNc1ccc(c(c1)Br)I 34a_100000750458_100000211926 [0,1,0,0,0,0|1,1,0]=3 6288 B12R1.385 OCCNc1ccc(c(c1)Br)O 34a_100011534360_100000211926 [0,1,0,0,0,0|2,0,0]=3 6289 B12R1.385 OCCNc1ccc(c(c1)Cl)Br 2230a_100000687081_100000211926 [0,1,0,0,0,0|1,1,0]=3 6290 B12R1.385 OCCNc1ccc(c(c1)Cl)Br 34a_100000687081_100000211926 [0,1,0,0,0,0|1,1,0]=3 6291 B12R1.385 OCCNc1ccc(c(c1)Cl)Br 7a_100000687081_100000211926 [0,1,0,0,0,0|1,1,0]=3 6292 B12R1.385 OCCNc1ccc(c(c1)Cl)Cl 2230a_100000184108_100000211926 [0,1,0,0,0,0|1,0,0]=2 6293 B12R1.385 OCCNc1ccc(c(c1)Cl)Cl 34a_100000184108_100000211926 [0,1,0,0,0,0|1,0,0]=2 6294 B12R1.385 OCCNc1ccc(c(c1)Cl)F 2230a_100000211060_100000211926 [0,1,0,0,0,0|1,1,0]=3 6295 B12R1.385 OCCNc1ccc(c(c1)Cl)F 34a_100000211060_100000211926 [0,1,0,0,0,0|1,1,0]=3 6296 B12R1.385 OCCNc1ccc(c(c1)Cl)F 7a_100000211060_100000211926 [0,1,0,0,0,0|1,1,0]=3 6297 B12R1.385 OCCNc1ccc(c(c1)Cl)I 34a_100000761885_100000211926 [0,1,0,0,0,0|1,1,0]=3 6298 B12R1.385 OCCNc1ccc(c(c1)Cl)O 34a_100000744943_100000211926 [0,1,0,0,0,0|2,0,0]=3 6299 B12R1.385 OCCNc1ccc(c(c1)F)Br 2230a_100000759894_100000211926 [0,1,0,0,0,0|1,1,0]=3 6300 B12R1.385 OCCNc1ccc(c(c1)F)Br 34a_100000759894_100000211926 [0,1,0,0,0,0|1,1,0]=3 6301 B12R1.385 OCCNc1ccc(c(c1)F)Br 7a_100000759894_100000211926 [0,1,0,0,0,0|1,1,0]=3 6302 B12R1.385 OCCNc1ccc(c(c1)F)Cl 2230a_100000739366_100000211926 [0,1,0,0,0,0|1,0,0]=2 6303 B12R1.385 OCCNc1ccc(c(c1)F)Cl 34a_100000739366_100000211926 [0,1,0,0,0,0|1,0,0]=2 6304 B12R1.385 OCCNc1ccc(c(c1)F)Cl 7a_100000739366_100000211926 [0,1,0,0,0,0|1,0,0]=2 6305 B12R1.385 OCCNc1ccc(c(c1)F)F 2230a_100000210724_100000211926 [0,1,0,0,0,0|1,1,0]=3 6306 B12R1.385 OCCNc1ccc(c(c1)F)F 34a_100000210724_100000211926 [0,1,0,0,0,0|1,1,0]=3 6307 B12R1.385 OCCNc1ccc(c(c1)F)F 7a_100000210724_100000211926 [0,1,0,0,0,0|1,1,0]=3 6308 B12R1.385 OCCNc1ccc(c(c1)F)I 34a_100011356925_100000211926 [0,1,0,0,0,0|1,1,0]=3 6309 B12R1.385 OCCNc1ccc(c(c1)F)I 7a_100011356925_100000211926 [0,1,0,0,0,0|1,1,0]=3 6310 B12R1.385 OCCNc1ccc(c(c1)F)O 34a_100011220035_100000211926 [0,1,0,0,0,0|2,0,0]=3 6311 B12R1.385 OCCNc1ccc(c(c1)F)O 7a_100011220035_100000211926 [0,1,0,0,0,0|2,0,0]=3 6312 B12R1.385 OCCNc1ccc(c(c1)I)Br 34a_100000750459_100000211926 [0,1,0,0,0,0|1,1,0]=3 6313 B12R1.385 OCCNc1ccc(c(c1)I)Cl 34a_100012360549_100000211926 [0,1,0,0,0,0|1,0,0]=2 6314 B12R1.385 OCCNc1ccc(c(c1)I)F 34a_114828291077_100000211926 [0,1,0,0,0,0|1,1,0]=3 6315 B12R1.385 OCCNc1ccc(c(c1)I)F 7a_114828291077_100000211926 [0,1,0,0,0,0|1,1,0]=3 6316 B12R1.385 OCCNc1ccc(c(c1)O)Cl 34a_100011934209_100000211926 [0,1,0,0,0,0|1,0,0]=2 6317 B12R1.385 OCCNc1ccc(c(c1)O)F 34a_100012017398_100000211926 [0,1,0,0,0,0|1,1,0]=3 6318 B12R1.385 OCCNc1ccc(c(c1)O)F 7a_100012017398_100000211926 [0,1,0,0,0,0|1,1,0]=3 6319 B12R1.385 OCCNc1ccc(c(c1)O)O 34a_100102946323_100000211926 [0,1,0,0,0,0|2,0,0]=3 6320 B12R1.385 OCCNc1ccc(c(n1)F)Br 27a_100000210304_100010134343 [0,1,0,0,0,0|2,1,0]=4 6321 B12R1.385 OCCOc1cc(c(cn1)Br)Cl 34a_100010369989_100000211926 [0,1,0,0,0,0|1,1,0]=3 6322 B12R1.385 OCCOc1cc(c(cn1)Cl)Cl 34a_200000099200_100000211926 [0,1,0,0,0,0|1,0,0]=2 6323 B12R1.385 OCCOc1ccc(c(c1)Br)Cl 34a_100011933957_100000211926 [0,1,0,0,0,0|0,0,0]=1 6324 B12R1.385 OCCOc1ccc(c(c1)Br)Cl 7a_100011933957_100000211926 [0,1,0,0,0,0|0,0,0]=1 6325 B12R1.385 OCCOc1ccc(c(c1)Br)F 34a_100000693481_100000211926 [0,1,0,0,0,0|0,1,0]=2 6326 B12R1.385 OCCOc1ccc(c(c1)Br)F 7a_100000693481_100000211926 [0,1,0,0,0,0|0,1,0]=2 6327 B12R1.385 OCCOc1ccc(c(c1)Br)I 34a_100000701344_100000211926 [0,1,0,0,0,0|0,1,0]=2 6328 B12R1.385 OCCOc1ccc(c(c1)Br)I 7a_100000701344_100000211926 [0,1,0,0,0,0|0,1,0]=2 6329 B12R1.385 OCCOc1ccc(c(c1)Cl)Br 34a_100011215161_100000211926 [0,1,0,0,0,0|0,1,0]=2 6330 B12R1.385 OCCOc1ccc(c(c1)Cl)Br 7a_100011215161_100000211926 [0,1,0,0,0,0|0,1,0]=2 6331 B12R1.385 OCCOc1ccc(c(c1)Cl)Cl 34a_100000211054_100000211926 [0,1,0,0,0,0|0,0,0]=1 6332 B12R1.385 OCCOc1ccc(c(c1)Cl)Cl 7a_100000211054_100000211926 [0,1,0,0,0,0|0,0,0]=1 6333 B12R1.385 OCCOc1ccc(c(c1)Cl)F 34a_100000211030_100000211926 [0,1,0,0,0,0|0,1,0]=2 6334 B12R1.385 OCCOc1ccc(c(c1)Cl)F 7a_100000211030_100000211926 [0,1,0,0,0,0|0,1,0]=2 6335 B12R1.385 OCCOc1ccc(c(c1)Cl)I 34a_100000047559_100000211926 [0,1,0,0,0,0|0,1,0]=2 6336 B12R1.385 OCCOc1ccc(c(c1)Cl)I 7a_100000047559_100000211926 [0,1,0,0,0,0|0,1,0]=2 6337 B12R1.385 OCCOc1ccc(c(c1)F)Br 34a_100000755031_100000211926 [0,1,0,0,0,0|0,1,0]=2 6338 B12R1.385 OCCOc1ccc(c(c1)F)Br 7a_100000755031_100000211926 [0,1,0,0,0,0|0,1,0]=2 6339 B12R1.385 OCCOc1ccc(c(c1)F)Cl 34a_100000691581_100000211926 [0,1,0,0,0,0|0,0,0]=1 6340 B12R1.385 OCCOc1ccc(c(c1)F)Cl 7a_100000691581_100000211926 [0,1,0,0,0,0|0,0,0]=1 6341 B12R1.385 OCCOc1ccc(c(c1)F)F 34a_100000181275_100000211926 [0,1,0,0,0,0|0,1,0]=2 6342 B12R1.385 OCCOc1ccc(c(c1)F)F 7a_100000181275_100000211926 [0,1,0,0,0,0|0,1,0]=2 6343 B12R1.385 OCCOc1ccc(c(c1)F)I 34a_100009990212_100000211926 [0,1,0,0,0,0|0,1,0]=2 6344 B12R1.385 OCCOc1ccc(c(c1)F)I 7a_100009990212_100000211926 [0,1,0,0,0,0|0,1,0]=2 6345 B12R1.385 OCCOc1ccc(c(c1)I)Br 34a_100012339312_100000211926 [0,1,0,0,0,0|0,1,0]=2 6346 B12R1.385 OCCOc1ccc(c(c1)I)Br 7a_100012339312_100000211926 [0,1,0,0,0,0|0,1,0]=2 6347 B12R1.385 OCCOc1ccc(c(c1)I)Cl 34a_100000049588_100000211926 [0,1,0,0,0,0|0,0,0]=1 6348 B12R1.385 OCCOc1ccc(c(c1)I)Cl 7a_100000049588_100000211926 [0,1,0,0,0,0|0,0,0]=1 6349 B12R1.385 OCCOc1ccc(c(n1)F)Br 34a_100009879308_100000211926 [0,1,0,0,0,0|1,1,0]=3 6350 B12R1.385 OCCOc1cnc(c(c1)Br)Cl 34a_100012356455_100000211926 [0,1,0,0,0,0|1,0,0]=2 6351 B12R1.385 OCCOc1cnc(c(c1)Br)Cl 7a_100012356455_100000211926 [0,1,0,0,0,0|1,0,0]=2 6352 B12R1.385 OCCOc1cnc(c(c1)Br)F 34a_100009817267_100000211926 [0,1,0,0,0,0|1,1,0]=3 6353 B12R1.385 OCCOc1cnc(c(c1)Br)F 7a_100009817267_100000211926 [0,1,0,0,0,0|1,1,0]=3 6354 B12R1.385 OCCOc1cnc(c(c1)Cl)Br 34a_100010209684_100000211926 [0,1,0,0,0,0|1,1,0]=3 6355 B12R1.385 OCCOc1cnc(c(c1)Cl)Br 7a_100010209684_100000211926 [0,1,0,0,0,0|1,1,0]=3 6356 B12R1.385 OCCOc1cnc(c(c1)Cl)Cl 34a_100000094354_100000211926 [0,1,0,0,0,0|1,0,0]=2 6357 B12R1.385 OCCOc1cnc(c(c1)Cl)Cl 7a_100000094354_100000211926 [0,1,0,0,0,0|1,0,0]=2 6358 B12R1.385 OCCOc1cnc(c(c1)Cl)F 34a_100000087088_100000211926 [0,1,0,0,0,0|1,1,0]=3 6359 B12R1.385 OCCOc1cnc(c(c1)Cl)F 7a_100000087088_100000211926 [0,1,0,0,0,0|1,1,0]=3 6360 B12R1.385 OCCOc1cnc(c(c1)F)Cl 34a_100000063512_100000211926 [0,1,0,0,0,0|1,0,0]=2 6361 B12R1.385 OCCOc1cnc(c(c1)F)Cl 7a_100000063512_100000211926 [0,1,0,0,0,0|1,0,0]=2 6362 B12R1.385 OCCOc1cnc(c(n1)Cl)Br 34a_100010080449_100000211926 [0,1,0,0,0,0|2,1,0]=4 6363 B12R1.385 OCCSc1cc(c(cn1)F)O 62a_100000211926_100009854642 [0,1,0,0,0,0|1,2,0]=4 6364 B12R1.385 OCCSc1cc(c(cn1)F)O 62a_100009854642_100000211926 [0,1,0,0,0,0|1,2,0]=4 6365 B12R1.385 OCCSc1ccc(c(c1)Br)Br 62a_100000211926_100012356285 [0,1,0,0,0,0|0,2,0]=3 6366 B12R1.385 OCCSc1ccc(c(c1)Br)Br 62a_100012356285_100000211926 [0,1,0,0,0,0|0,2,0]=3 6367 B12R1.385 OCCSc1ccc(c(c1)Br)Cl 62a_100000211926_100012353702 [0,1,0,0,0,0|0,1,0]=2 6368 B12R1.385 OCCSc1ccc(c(c1)Br)Cl 62a_100012353702_100000211926 [0,1,0,0,0,0|0,1,0]=2 6369 B12R1.385 OCCSc1ccc(c(c1)Br)F 62a_100000211926_100012047266 [0,1,0,0,0,0|0,2,0]=3 6370 B12R1.385 OCCSc1ccc(c(c1)Br)F 62a_100012047266_100000211926 [0,1,0,0,0,0|0,2,0]=3 6371 B12R1.385 OCCSc1ccc(c(c1)Br)O 62a_100000211926_100012361655 [0,1,0,0,0,0|1,1,0]=3 6372 B12R1.385 OCCSc1ccc(c(c1)Br)O 62a_100012361655_100000211926 [0,1,0,0,0,0|1,1,0]=3 6373 B12R1.385 OCCSc1ccc(c(c1)Cl)Br 62a_100000211926_100012047281 [0,1,0,0,0,0|0,2,0]=3 6374 B12R1.385 OCCSc1ccc(c(c1)Cl)Br 62a_100012047281_100000211926 [0,1,0,0,0,0|0,2,0]=3 6375 B12R1.385 OCCSc1ccc(c(c1)Cl)Cl 62a_100000211926_100011214914 [0,1,0,0,0,0|0,1,0]=2 6376 B12R1.385 OCCSc1ccc(c(c1)Cl)Cl 62a_100011214914_100000211926 [0,1,0,0,0,0|0,1,0]=2 6377 B12R1.385 OCCSc1ccc(c(c1)Cl)F 62a_100000211926_100011215976 [0,1,0,0,0,0|0,2,0]=3 6378 B12R1.385 OCCSc1ccc(c(c1)Cl)F 62a_100011215976_100000211926 [0,1,0,0,0,0|0,2,0]=3 6379 B12R1.385 OCCSc1ccc(c(c1)Cl)O 62a_100000211926_100012360047 [0,1,0,0,0,0|1,1,0]=3 6380 B12R1.385 OCCSc1ccc(c(c1)Cl)O 62a_100012360047_100000211926 [0,1,0,0,0,0|1,1,0]=3 6381 B12R1.385 OCCSc1ccc(c(c1)F)Br 62a_100000211926_100000685389 [0,1,0,0,0,0|0,2,0]=3 6382 B12R1.385 OCCSc1ccc(c(c1)F)Br 62a_100000685389_100000211926 [0,1,0,0,0,0|0,2,0]=3 6383 B12R1.385 OCCSc1ccc(c(c1)F)Cl 62a_100000211926_100011216805 [0,1,0,0,0,0|0,1,0]=2 6384 B12R1.385 OCCSc1ccc(c(c1)F)Cl 62a_100011216805_100000211926 [0,1,0,0,0,0|0,1,0]=2 6385 B12R1.385 OCCSc1ccc(c(c1)F)F 62a_100000211926_100000703953 [0,1,0,0,0,0|0,2,0]=3 6386 B12R1.385 OCCSc1ccc(c(c1)F)F 62a_100000703953_100000211926 [0,1,0,0,0,0|0,2,0]=3 6387 B12R1.385 OCCSc1ccc(c(c1)F)O 62a_100000185481_100000211926 [0,1,0,0,0,0|1,1,0]=3 6388 B12R1.385 OCCSc1ccc(c(c1)F)O 62a_100000211926_100000185481 [0,1,0,0,0,0|1,1,0]=3 6389 B12R1.385 OCCSc1ccc(c(c1)O)Br 62a_100000211926_100012356990 [0,1,0,0,0,0|0,2,0]=3 6390 B12R1.385 OCCSc1ccc(c(c1)O)Br 62a_100012356990_100000211926 [0,1,0,0,0,0|0,2,0]=3 6391 B12R1.385 OCCSc1ccc(c(c1)O)Cl 62a_100000211926_100011356854 [0,1,0,0,0,0|0,1,0]=2 6392 B12R1.385 OCCSc1ccc(c(c1)O)Cl 62a_100011356854_100000211926 [0,1,0,0,0,0|0,1,0]=2 6393 B12R1.385 OCCSc1ccc(c(c1)O)F 62a_100000211926_100000686035 [0,1,0,0,0,0|0,2,0]=3 6394 B12R1.385 OCCSc1ccc(c(c1)O)F 62a_100000686035_100000211926 [0,1,0,0,0,0|0,2,0]=3 6395 B12R1.385 OCCSc1ccc(c(c1)O)O 62a_100000211926_100009813601 [0,1,0,0,0,0|1,1,0]=3 6396 B12R1.385 OCCSc1ccc(c(n1)Br)O 62a_100000211926_100000725334 [0,1,0,0,0,0|2,1,0]=4 6397 B12R1.385 OCCSc1ccc(c(n1)Br)O 62a_100000725334_100000211926 [0,1,0,0,0,0|2,1,0]=4 6398 B12R1.385 OCCSc1ccc(c(n1)Cl)O 62a_100000211926_100000721234 [0,1,0,0,0,0|2,1,0]=4 6399 B12R1.385 OCCSc1ccc(c(n1)F)Br 62a_100000211926_100010134343 [0,1,0,0,0,0|1,2,0]=4 6400 B12R1.385 OCCSc1ccc(c(n1)F)Br 62a_100010134343_100000211926 [0,1,0,0,0,0|1,2,0]=4 6401 B12R1.385 OCCSc1ccc(c(n1)F)O 62a_100000211926_100009819667 [0,1,0,0,0,0|2,1,0]=4 6402 B12R1.385 OCCSc1ccc(c(n1)F)O 62a_100009819667_100000211926 [0,1,0,0,0,0|2,1,0]=4 6403 B12R1.385 OCCSc1ccc(c(n1)O)F 62a_100000211926_100010729010 [0,1,0,0,0,0|1,2,0]=4 6404 B12R1.385 OCCSc1cnc(c(c1)Br)Cl 62a_100000211926_100010172733 [0,1,0,0,0,0|1,1,0]=3 6405 B12R1.385 OCCSc1cnc(c(c1)Br)Cl 62a_100010172733_100000211926 [0,1,0,0,0,0|1,1,0]=3 6406 B12R1.385 OCCSc1cnc(c(c1)Cl)O 62a_100000211926_100010238531 [0,1,0,0,0,0|2,1,0]=4 6407 B12R1.385 OCCSc1cnc(c(c1)Cl)O 62a_100010238531_100000211926 [0,1,0,0,0,0|2,1,0]=4 6408 B12R1.385 OCCSc1cnc(c(c1)F)F 62a_100000211926_100009817721 [0,1,0,0,0,0|1,2,0]=4 6409 B12R1.385 OCCSc1cnc(c(c1)F)F 62a_100009817721_100000211926 [0,1,0,0,0,0|1,2,0]=4 6410 B12R1.385 OCCSc1cnc(c(c1)O)F 62a_100000211926_100009819871 [0,1,0,0,0,0|1,2,0]=4 6411 B12R1.385 OCCSc1cnc(c(c1)O)F 62a_100009819871_100000211926 [0,1,0,0,0,0|1,2,0]=4 6412 B12R1.385 Oc1cc(ccc1Br)SCCF 62a_100011217306_100012356990 [0,1,0,0,0,0|1,2,0]=4 6413 B12R1.385 Oc1cc(ccc1Br)SCCF 62a_100012356990_100011217306 [0,1,0,0,0,0|1,2,0]=4 6414 B12R1.385 Oc1cc(ccc1Cl)CNCF 34a_100020636435_100015361967 [0,1,0,0,0,0|3,0,0]=4 6415 B12R1.385 Oc1cc(ccc1Cl)NCCF 34a_100011934209_100011217306 [0,1,0,0,0,0|2,0,0]=3 6416 B12R1.385 Oc1cc(ccc1Cl)SCCF 62a_100011217306_100011356854 [0,1,0,0,0,0|1,1,0]=3 6417 B12R1.385 Oc1cc(ccc1Cl)SCCF 62a_100011356854_100011217306 [0,1,0,0,0,0|1,1,0]=3 6418 B12R1.385 Oc1cc(ccc1F)NCCF 34a_100012017398_100011217306 [0,1,0,0,0,0|2,1,0]=4 6419 B12R1.385 Oc1cc(ccc1F)NCCF 7a_100012017398_100011217306 [0,1,0,0,0,0|2,1,0]=4 6420 B12R1.385 Oc1cc(ccc1F)SCCF 62a_100000686035_100011217306 [0,1,0,0,0,0|1,2,0]=4 6421 B12R1.385 Oc1cc(ccc1F)SCCF 62a_100011217306_100000686035 [0,1,0,0,0,0|1,2,0]=4 6422 B12R1.385 Oc1ccc(cc1Br)NCCF 34a_100011534360_100011217306 [0,1,0,0,0,0|3,0,0]=4 6423 B12R1.385 Oc1ccc(cc1Br)SCCF 62a_100011217306_100012361655 [0,1,0,0,0,0|2,1,0]=4 6424 B12R1.385 Oc1ccc(cc1Br)SCCF 62a_100012361655_100011217306 [0,1,0,0,0,0|2,1,0]=4 6425 B12R1.385 Oc1ccc(cc1Cl)NCCF 34a_100000744943_100011217306 [0,1,0,0,0,0|3,0,0]=4 6426 B12R1.385 Oc1ccc(cc1Cl)SCCF 62a_100011217306_100012360047 [0,1,0,0,0,0|2,1,0]=4 6427 B12R1.385 Oc1ccc(cc1Cl)SCCF 62a_100012360047_100011217306 [0,1,0,0,0,0|2,1,0]=4 6428 B12R1.385 Oc1ccc(cc1F)NCCF 34a_100011220035_100011217306 [0,1,0,0,0,0|3,0,0]=4 6429 B12R1.385 Oc1ccc(cc1F)NCCF 7a_100011220035_100011217306 [0,1,0,0,0,0|3,0,0]=4 6430 B12R1.385 Oc1ccc(cc1F)SCCF 62a_100000185481_100011217306 [0,1,0,0,0,0|2,1,0]=4 6431 B12R1.385 Oc1ccc(cc1F)SCCF 62a_100011217306_100000185481 [0,1,0,0,0,0|2,1,0]=4 6432 B12R1.385 Oc1ccc(cc1O)NCCF 34a_100102946323_100011217306 [0,1,0,0,0,0|3,0,0]=4 6433 B12R1.385 Oc1ccc(cc1O)SCCF 62a_100011217306_100009813601 [0,1,0,0,0,0|2,1,0]=4 6434 B12R1.385 [13CH3]NCCc1ccc(c(c1)Cl)Cl 2230a_100011207230_200025704644 [0,1,0,0,0,0|3,0,0]=4 6435 B12R1.385 [13CH3]NCCc1ccc(c(c1)Cl)Cl 34a_100011207230_200025704644 [0,1,0,0,0,0|3,0,0]=4 6436 B12R1.385 [13CH3]OCCc1ccc(c(c1)Cl)Cl 34a_100011709245_200025704644 [0,1,0,0,0,0|3,0,0]=4 6437 B12R1.385 [13CH3]OCCc1ccc(c(c1)Cl)Cl 7a_100011709245_200025704644 [0,1,0,0,0,0|3,0,0]=4 6438 B12R1.385 [13CH3]OCCc1ccc(c(c1)F)Cl 34a_100011934464_200025704644 [0,1,0,0,0,0|3,0,0]=4 6439 B12R1.385 [13CH3]OCCc1ccc(c(c1)F)Cl 7a_100011934464_200025704644 [0,1,0,0,0,0|3,0,0]=4 6440 B12R1.385 [13CH3]SCCc1ccc(c(c1)Cl)Cl 62a_100011713676_200025704644 [0,1,0,0,0,0|3,0,0]=4 6441 B12R1.385 [13CH3]SCCc1ccc(c(c1)Cl)Cl 62a_200025704644_100011713676 [0,1,0,0,0,0|3,0,0]=4 6442 B12R2.24 Oc1ccc2c(c1)CCCC2 271570a_203496583355_100011221367 [0,0,0,1,0,0|3,0,0]=4 6443 B12R2.24 Oc1ccc2c(c1)CCCN2 271570a_203496583355_100016994925 [0,0,0,1,0,0|3,0,0]=4 6444 B12R2.24 Oc1ccc2c(c1)CCCO2 271570a_203496583355_100011393166 [0,0,0,1,0,0|2,0,0]=3 6445 B12R2.24 Oc1ccc2c(c1)NCCC2 271570a_203496583355_100010196366 [0,0,0,1,0,0|3,0,0]=4 6446 B12R2.24 Oc1ccc2c(c1)NCCO2 271570a_203496583355_100000708519 [0,0,0,1,0,0|2,0,0]=3 6447 B12R2.24 Oc1ccc2c(c1)NCCS2 271570a_203496583355_100013243616 [0,0,0,1,0,0|2,1,0]=4 6448 B12R2.24 Oc1ccc2c(c1)OCCC2 271570a_203496583355_100010700467 [0,0,0,1,0,0|2,0,0]=3 6449 B12R2.24 Oc1ccc2c(c1)OCCN2 271570a_203496583355_100012355470 [0,0,0,1,0,0|2,0,0]=3 6450 B12R2.24 Oc1ccc2c(c1)OCCO2 271570a_203496583355_100000184379 [0,0,0,1,0,0|1,0,0]=2 6451 B12R2.24 Oc1ccc2c(n1)NCCO2 271570a_203496583355_100010209492 [0,0,0,1,0,0|3,0,0]=4 6452 B12R2.24 Oc1cnc2c(c1)CCCO2 271570a_203496583355_100010109689 [0,0,0,1,0,0|3,0,0]=4 6453 B12R2.24 Oc1cnc2c(c1)NCCO2 271570a_203496583355_100000700286 [0,0,0,1,0,0|3,0,0]=4 6454 B12R2.24 Oc1cnc2c(c1)OCCN2 271570a_203496583355_100009816924 [0,0,0,1,0,0|3,0,0]=4 6455 B12R2.79 NC1CC1c2ccc(cc2)O 271570a_203496583355_100000755575 [0,0,0,1,0,0|3,0,0]=4 6456 B12R2.132 NC1CCc2c1cc(cc2)O 271570a_203496583355_100011435097 [0,0,0,1,0,0|3,0,0]=4 6457 B12R2.132 O=C1COc2c1cc(cc2)O 271570a_203496583355_100000752586 [0,0,0,1,0,0|1,0,2]=4 6458 B12R2.132 Oc1ccc2c(c1)C(CC2)O 271570a_203496583355_100011836024 [0,0,0,1,0,0|2,0,0]=3 6459 B12R2.132 Oc1n[nH]c2c1cc(cc2)Cl 271570a_203496583355_100010174404 [0,0,0,1,0,0|2,0,1]=4 6460 B12R2.294 Brc1ccc(cc1)NC2CC2 34a_100000210018_100000211595 [0,0,0,1,0,0|2,1,0]=4 6461 B12R2.294 Brc1ccc(cc1)OC2CC2 34a_100000185759_100000211595 [0,0,0,1,0,0|1,1,0]=3 6462 B12R2.294 Brc1ccc(cc1)SC2CC2 62a_100000752885_100000211595 [0,0,0,1,0,0|1,2,0]=4 6463 B12R2.294 Brc1ccc(cn1)OC2CC2 34a_100000685995_100000211595 [0,0,0,1,0,0|2,1,0]=4 6464 B12R2.294 Cc1ccc(cc1)NC2CC2 34a_100000124888_100000211595 [0,0,0,1,0,0|3,0,0]=4 6465 B12R2.294 Cc1ccc(cc1)OC2CC2 34a_100000210336_100000211595 [0,0,0,1,0,0|2,0,0]=3 6466 B12R2.294 Cc1ccc(cc1)SC2CC2 62a_100000186775_100000211595 [0,0,0,1,0,0|2,1,0]=4 6467 B12R2.294 Cc1ccc(cn1)OC2CC2 34a_100000745506_100000211595 [0,0,0,1,0,0|3,0,0]=4 6468 B12R2.294 Cc1ccc(nc1)OC2CC2 34a_100000759353_100000211595 [0,0,0,1,0,0|3,0,0]=4 6469 B12R2.294 Clc1ccc(cc1)NC2CC2 34a_100000210052_100000211595 [0,0,0,1,0,0|2,0,0]=3 6470 B12R2.294 Clc1ccc(cc1)OC2CC2 34a_100000210216_100000211595 [0,0,0,1,0,0|1,0,0]=2 6471 B12R2.294 Clc1ccc(cc1)SC2CC2 62a_100000755918_100000211595 [0,0,0,1,0,0|1,1,0]=3 6472 B12R2.294 Clc1ccc(cn1)OC2CC2 34a_100000744096_100000211595 [0,0,0,1,0,0|2,0,0]=3 6473 B12R2.294 Clc1ccc(cn1)SC2CC2 62a_100000034144_100000211595 [0,0,0,1,0,0|2,1,0]=4 6474 B12R2.294 Clc1ccc(nc1)OC2CC2 34a_100011215309_100000211595 [0,0,0,1,0,0|2,0,0]=3 6475 B12R2.294 Clc1ccc(nc1)SC2CC2 62a_100011356976_100000211595 [0,0,0,1,0,0|2,1,0]=4 6476 B12R2.294 Clc1cnc(cn1)OC2CC2 34a_100015839800_100000211595 [0,0,0,1,0,0|3,0,0]=4 6477 B12R2.294 Clc1ncc(cn1)OC2CC2 34a_100000092845_100000211595 [0,0,0,1,0,0|3,0,0]=4 6478 B12R2.294 Fc1ccc(cc1)NC2CC2 34a_100000185862_100000211595 [0,0,0,1,0,0|2,1,0]=4 6479 B12R2.294 Fc1ccc(cc1)OC2CC2 34a_100000210339_100000211595 [0,0,0,1,0,0|1,1,0]=3 6480 B12R2.294 Fc1ccc(cc1)SC2CC2 62a_100000211213_100000211595 [0,0,0,1,0,0|1,2,0]=4 6481 B12R2.294 Fc1ccc(cn1)OC2CC2 34a_100000688820_100000211595 [0,0,0,1,0,0|2,1,0]=4 6482 B12R2.294 Fc1ccc(nc1)OC2CC2 34a_100000742473_100000211595 [0,0,0,1,0,0|2,1,0]=4 6483 B12R2.294 Ic1ccc(cc1)NC2CC2 34a_100000185761_100000211595 [0,0,0,1,0,0|2,1,0]=4 6484 B12R2.294 Ic1ccc(cc1)OC2CC2 34a_100000212066_100000211595 [0,0,0,1,0,0|1,1,0]=3 6485 B12R2.294 Ic1ccc(cn1)OC2CC2 34a_100000687607_100000211595 [0,0,0,1,0,0|2,1,0]=4 6486 B12R2.294 Nc1ccc(cc1)OC2CC2 34a_100000185829_100000211595 [0,0,0,1,0,0|2,0,0]=3 6487 B12R2.294 Nc1ccc(cc1)SC2CC2 62a_100000185761_100000211595 [0,0,0,1,0,0|2,1,0]=4 6488 B12R2.294 Nc1ccc(cn1)OC2CC2 34a_100015188713_100000211595 [0,0,0,1,0,0|3,0,0]=4 6489 B12R2.294 Nc1ccc(nc1)OC2CC2 34a_100000729260_100000211595 [0,0,0,1,0,0|3,0,0]=4 6490 B12R2.294 O=c1ccc(c[nH]1)OC2CC2 34a_100000075641_100000211595 [0,0,0,1,0,0|3,0,0]=4 6491 B12R2.294 Oc1ccc(cc1)NC2CC2 34a_100000185829_100000211595 [0,0,0,1,0,0|3,0,0]=4 6492 B12R2.294 Oc1ccc(cc1)OC2CC2 271570a_203496583355_100000704264 [0,0,0,1,0,0|2,0,0]=3 6493 B12R2.2302 Oc1ccc(cc1)C2CCC2 271570a_203496583355_200010114027 [0,0,0,1,0,0|3,0,0]=4 6494 B10R1.16 Cc1cc(cs1)SCCO 62a_100000211926_100000759034 [0,0,0,0,1,0|2,1,0]=4 6495 B10R1.16 Cc1cc(cs1)SCCO 62a_100000759034_100000211926 [0,0,0,0,1,0|2,1,0]=4 6496 B10R1.16 Cc1ccc(s1)SCCO 62a_100000031368_100000211926 [0,0,0,0,1,0|2,1,0]=4 6497 B10R1.16 Cc1ccc(s1)SCCO 62a_100000211926_100000031368 [0,0,0,0,1,0|2,1,0]=4 6498 B10R1.16 Cc1csc(c1)SCCO 62a_100000211926_100009876951 [0,0,0,0,1,0|2,1,0]=4 6499 B10R1.16 Cc1csc(c1)SCCO 62a_100009876951_100000211926 [0,0,0,0,1,0|2,1,0]=4 6500 B10R1.16 Cn1cc(cn1)OCCO 34a_100000707646_100000211926 [0,0,0,0,1,0|3,0,0]=4 6501 B10R1.16 Cn1ccc(n1)OCCO 34a_100012642153_100000211926 [0,0,0,0,1,0|3,0,0]=4 6502 B10R1.16 OCCSc1ccc(s1)Br 62a_100000211926_100010197418 [0,0,0,0,1,0|1,2,0]=4 6503 B10R1.16 OCCSc1ccc(s1)Br 62a_100010197418_100000211926 [0,0,0,0,1,0|1,2,0]=4 6504 B9R0.18 C=CC=CC(=O)CCCO 1458a_100016291481_100011215043 [1,0,1,0,0,0|2,0,0]=4 6505 B9R0.40 C=CCC(C=C)OCCO 34a_100000038011_100000211926 [1,0,1,0,0,0|0,0,2]=4 6506 B9R0.40 C=CCC(C=C)OCCO 7a_100000038011_100000211926 [1,0,1,0,0,0|0,0,2]=4 6507 B9R0.45 C/C=C/C=C/COCCO 34a_100016283227_100000211926 [1,0,1,0,0,0|0,0,2]=4 6508 B9R1.1 C=Cc1ccc(cc1)Cl 271570a_100011290941_100000755918 [2,0,0,0,0,0|0,0,2]=4 6509 B9R1.1 CCc1ccc(cc1)O 271570a_203496583355_100011215824 [2,0,0,0,0,0|1,0,0]=3 6510 B9R1.1 CCc1ccc(cn1)O 271570a_203496583355_100009820025 [2,0,0,0,0,0|2,0,0]=4 6511 B9R1.1 CCc1ccc(nc1)O 271570a_203496583355_100009843584 [2,0,0,0,0,0|2,0,0]=4 6512 B9R1.1 CNc1ccc(cc1)Br 2230a_100000210018_200000210301 [2,0,0,0,0,0|1,1,0]=4 6513 B9R1.1 CNc1ccc(cc1)Br 34a_100000210018_200000210301 [2,0,0,0,0,0|1,1,0]=4 6514 B9R1.1 CNc1ccc(cc1)C 34a_100000124888_200000210301 [2,0,0,0,0,0|2,0,0]=4 6515 B9R1.1 CNc1ccc(cc1)Cl 2230a_100000210052_200000210301 [2,0,0,0,0,0|1,0,0]=3 6516 B9R1.1 CNc1ccc(cc1)Cl 34a_100000210052_200000210301 [2,0,0,0,0,0|1,0,0]=3 6517 B9R1.1 CNc1ccc(cc1)F 34a_100000185862_200000210301 [2,0,0,0,0,0|1,1,0]=4 6518 B9R1.1 CNc1ccc(cc1)I 34a_100000185761_200000210301 [2,0,0,0,0,0|1,1,0]=4 6519 B9R1.1 CNc1ccc(cc1)O 271570a_203496583355_100000219623 [2,0,0,0,0,0|2,0,0]=4 6520 B9R1.1 CNc1ccc(cc1)O 34a_100000185829_200000210301 [2,0,0,0,0,0|2,0,0]=4 6521 B9R1.1 COc1ccc(=O)[nH]c1 34a_100000075641_200000210301 [2,0,0,0,0,0|2,0,0]=4 6522 B9R1.1 COc1ccc(cc1)Br 34a_100000185759_200000210301 [2,0,0,0,0,0|0,1,0]=3 6523 B9R1.1 COc1ccc(cc1)Br 7a_100000185759_200000210301 [2,0,0,0,0,0|0,1,0]=3 6524 B9R1.1 COc1ccc(cc1)C 34a_100000210336_200000210301 [2,0,0,0,0,0|1,0,0]=3 6525 B9R1.1 COc1ccc(cc1)C 7a_100000210336_200000210301 [2,0,0,0,0,0|1,0,0]=3 6526 B9R1.1 COc1ccc(cc1)Cl 34a_100000210216_200000210301 [2,0,0,0,0,0|0,0,0]=2 6527 B9R1.1 COc1ccc(cc1)Cl 7a_100000210216_200000210301 [2,0,0,0,0,0|0,0,0]=2 6528 B9R1.1 COc1ccc(cc1)F 34a_100000210339_200000210301 [2,0,0,0,0,0|0,1,0]=3 6529 B9R1.1 COc1ccc(cc1)I 34a_100000212066_200000210301 [2,0,0,0,0,0|0,1,0]=3 6530 B9R1.1 COc1ccc(cc1)I 7a_100000212066_200000210301 [2,0,0,0,0,0|0,1,0]=3 6531 B9R1.1 COc1ccc(cc1)N 34a_100000185829_200000210301 [2,0,0,0,0,0|1,0,0]=3 6532 B9R1.1 COc1ccc(cc1)O 271570a_203496583355_100000171711 [2,0,0,0,0,0|1,0,0]=3 6533 B9R1.1 COc1ccc(cn1)C 34a_100000759353_200000210301 [2,0,0,0,0,0|2,0,0]=4 6534 B9R1.1 COc1ccc(cn1)Cl 34a_100011215309_200000210301 [2,0,0,0,0,0|1,0,0]=3 6535 B9R1.1 COc1ccc(cn1)F 34a_100000742473_200000210301 [2,0,0,0,0,0|1,1,0]=4 6536 B9R1.1 COc1ccc(cn1)N 34a_100000729260_200000210301 [2,0,0,0,0,0|2,0,0]=4 6537 B9R1.1 COc1ccc(cn1)O 271570a_203496583355_100000047065 [2,0,0,0,0,0|2,0,0]=4 6538 B9R1.1 COc1ccc(nc1)Br 34a_100000685995_200000210301 [2,0,0,0,0,0|1,1,0]=4 6539 B9R1.1 COc1ccc(nc1)Br 7a_100000685995_200000210301 [2,0,0,0,0,0|1,1,0]=4 6540 B9R1.1 COc1ccc(nc1)C 34a_100000745506_200000210301 [2,0,0,0,0,0|2,0,0]=4 6541 B9R1.1 COc1ccc(nc1)C 7a_100000745506_200000210301 [2,0,0,0,0,0|2,0,0]=4 6542 B9R1.1 COc1ccc(nc1)Cl 34a_100000744096_200000210301 [2,0,0,0,0,0|1,0,0]=3 6543 B9R1.1 COc1ccc(nc1)Cl 7a_100000744096_200000210301 [2,0,0,0,0,0|1,0,0]=3 6544 B9R1.1 COc1ccc(nc1)F 34a_100000688820_200000210301 [2,0,0,0,0,0|1,1,0]=4 6545 B9R1.1 COc1ccc(nc1)F 7a_100000688820_200000210301 [2,0,0,0,0,0|1,1,0]=4 6546 B9R1.1 COc1ccc(nc1)I 34a_100000687607_200000210301 [2,0,0,0,0,0|1,1,0]=4 6547 B9R1.1 COc1ccc(nc1)I 7a_100000687607_200000210301 [2,0,0,0,0,0|1,1,0]=4 6548 B9R1.1 COc1ccc(nc1)N 34a_100015188713_200000210301 [2,0,0,0,0,0|2,0,0]=4 6549 B9R1.1 COc1ccc(nc1)N 7a_100015188713_200000210301 [2,0,0,0,0,0|2,0,0]=4 6550 B9R1.1 COc1ccc(nc1)O 271570a_203496583355_100000755202 [2,0,0,0,0,0|2,0,0]=4 6551 B9R1.1 COc1cnc(cn1)Cl 34a_100015839800_200000210301 [2,0,0,0,0,0|2,0,0]=4 6552 B9R1.1 COc1cnc(nc1)Cl 34a_100000092845_200000210301 [2,0,0,0,0,0|2,0,0]=4 6553 B9R1.1 COc1cnc(nc1)Cl 7a_100000092845_200000210301 [2,0,0,0,0,0|2,0,0]=4 6554 B9R1.1 CSc1ccc(cc1)Br 62a_100000752885_200000210301 [2,0,0,0,0,0|0,2,0]=4 6555 B9R1.1 CSc1ccc(cc1)Br 62a_200000210301_100000752885 [2,0,0,0,0,0|0,2,0]=4 6556 B9R1.1 CSc1ccc(cc1)C 62a_100000186775_200000210301 [2,0,0,0,0,0|1,1,0]=4 6557 B9R1.1 CSc1ccc(cc1)C 62a_200000210301_100000186775 [2,0,0,0,0,0|1,1,0]=4 6558 B9R1.1 CSc1ccc(cc1)Cl 62a_100000755918_200000210301 [2,0,0,0,0,0|0,1,0]=3 6559 B9R1.1 CSc1ccc(cc1)Cl 62a_200000210301_100000755918 [2,0,0,0,0,0|0,1,0]=3 6560 B9R1.1 CSc1ccc(cc1)F 62a_100000211213_200000210301 [2,0,0,0,0,0|0,2,0]=4 6561 B9R1.1 CSc1ccc(cc1)F 62a_200000210301_100000211213 [2,0,0,0,0,0|0,2,0]=4 6562 B9R1.1 CSc1ccc(cc1)N 62a_100000185761_200000210301 [2,0,0,0,0,0|1,1,0]=4 6563 B9R1.1 CSc1ccc(cc1)N 62a_200000210301_100000185761 [2,0,0,0,0,0|1,1,0]=4 6564 B9R1.1 CSc1ccc(cc1)O 271570a_203496583355_100011263217 [2,0,0,0,0,0|1,1,0]=4 6565 B9R1.1 CSc1ccc(cc1)O 62a_200000210301_100000185759 [2,0,0,0,0,0|1,1,0]=4 6566 B9R1.1 CSc1ccc(cn1)Cl 62a_100011356976_200000210301 [2,0,0,0,0,0|1,1,0]=4 6567 B9R1.1 CSc1ccc(cn1)Cl 62a_200000210301_100011356976 [2,0,0,0,0,0|1,1,0]=4 6568 B9R1.1 CSc1ccc(nc1)Cl 62a_100000034144_200000210301 [2,0,0,0,0,0|1,1,0]=4 6569 B9R1.1 CSc1ccc(nc1)Cl 62a_200000210301_100000034144 [2,0,0,0,0,0|1,1,0]=4 6570 B9R1.1 Cc1ccc(cc1)N[13CH3] 34a_100000124888_200025704644 [2,0,0,0,0,0|2,0,0]=4 6571 B9R1.1 Cc1ccc(cc1)O[13CH3] 34a_100000210336_200025704644 [2,0,0,0,0,0|1,0,0]=3 6572 B9R1.1 Cc1ccc(cc1)O[13CH3] 7a_100000210336_200025704644 [2,0,0,0,0,0|1,0,0]=3 6573 B9R1.1 Cc1ccc(cc1)S[13CH3] 62a_100000186775_200025704644 [2,0,0,0,0,0|1,1,0]=4 6574 B9R1.1 Cc1ccc(cc1)S[13CH3] 62a_200025704644_100000186775 [2,0,0,0,0,0|1,1,0]=4 6575 B9R1.1 Cc1ccc(cn1)O[13CH3] 34a_100000745506_200025704644 [2,0,0,0,0,0|2,0,0]=4 6576 B9R1.1 Cc1ccc(cn1)O[13CH3] 7a_100000745506_200025704644 [2,0,0,0,0,0|2,0,0]=4 6577 B9R1.1 Cc1ccc(nc1)O[13CH3] 34a_100000759353_200025704644 [2,0,0,0,0,0|2,0,0]=4 6578 B9R1.1 NCc1ccc(cc1)O 271570a_203496583355_100016989417 [2,0,0,0,0,0|2,0,0]=4 6579 B9R1.1 OCc1ccc(cc1)O 271570a_203496583355_100000690907 [2,0,0,0,0,0|1,0,0]=3 6580 B9R1.1 OCc1ccc(cn1)O 271570a_203496583355_100000754261 [2,0,0,0,0,0|2,0,0]=4 6581 B9R1.1 OCc1ccc(nc1)O 271570a_203496583355_100009816760 [2,0,0,0,0,0|2,0,0]=4 6582 B9R1.1 Oc1ccc(cc1)CF 271570a_203496583355_100010268989 [2,0,0,0,0,0|2,0,0]=4 6583 B9R1.1 [13CH3]Nc1ccc(cc1)Br 2230a_100000210018_200025704644 [2,0,0,0,0,0|1,1,0]=4 6584 B9R1.1 [13CH3]Nc1ccc(cc1)Br 34a_100000210018_200025704644 [2,0,0,0,0,0|1,1,0]=4 6585 B9R1.1 [13CH3]Nc1ccc(cc1)Cl 2230a_100000210052_200025704644 [2,0,0,0,0,0|1,0,0]=3 6586 B9R1.1 [13CH3]Nc1ccc(cc1)Cl 34a_100000210052_200025704644 [2,0,0,0,0,0|1,0,0]=3 6587 B9R1.1 [13CH3]Nc1ccc(cc1)F 34a_100000185862_200025704644 [2,0,0,0,0,0|1,1,0]=4 6588 B9R1.1 [13CH3]Nc1ccc(cc1)I 34a_100000185761_200025704644 [2,0,0,0,0,0|1,1,0]=4 6589 B9R1.1 [13CH3]Nc1ccc(cc1)O 34a_100000185829_200025704644 [2,0,0,0,0,0|2,0,0]=4 6590 B9R1.1 [13CH3]Oc1ccc(=O)[nH]c1 34a_100000075641_200025704644 [2,0,0,0,0,0|2,0,0]=4 6591 B9R1.1 [13CH3]Oc1ccc(cc1)Br 34a_100000185759_200025704644 [2,0,0,0,0,0|0,1,0]=3 6592 B9R1.1 [13CH3]Oc1ccc(cc1)Br 7a_100000185759_200025704644 [2,0,0,0,0,0|0,1,0]=3 6593 B9R1.1 [13CH3]Oc1ccc(cc1)Cl 34a_100000210216_200025704644 [2,0,0,0,0,0|0,0,0]=2 6594 B9R1.1 [13CH3]Oc1ccc(cc1)Cl 7a_100000210216_200025704644 [2,0,0,0,0,0|0,0,0]=2 6595 B9R1.1 [13CH3]Oc1ccc(cc1)F 34a_100000210339_200025704644 [2,0,0,0,0,0|0,1,0]=3 6596 B9R1.1 [13CH3]Oc1ccc(cc1)I 34a_100000212066_200025704644 [2,0,0,0,0,0|0,1,0]=3 6597 B9R1.1 [13CH3]Oc1ccc(cc1)I 7a_100000212066_200025704644 [2,0,0,0,0,0|0,1,0]=3 6598 B9R1.1 [13CH3]Oc1ccc(cc1)N 34a_100000185829_200025704644 [2,0,0,0,0,0|1,0,0]=3 6599 B9R1.1 [13CH3]Oc1ccc(cn1)Cl 34a_100011215309_200025704644 [2,0,0,0,0,0|1,0,0]=3 6600 B9R1.1 [13CH3]Oc1ccc(cn1)F 34a_100000742473_200025704644 [2,0,0,0,0,0|1,1,0]=4 6601 B9R1.1 [13CH3]Oc1ccc(cn1)N 34a_100000729260_200025704644 [2,0,0,0,0,0|2,0,0]=4 6602 B9R1.1 [13CH3]Oc1ccc(nc1)Br 34a_100000685995_200025704644 [2,0,0,0,0,0|1,1,0]=4 6603 B9R1.1 [13CH3]Oc1ccc(nc1)Br 7a_100000685995_200025704644 [2,0,0,0,0,0|1,1,0]=4 6604 B9R1.1 [13CH3]Oc1ccc(nc1)Cl 34a_100000744096_200025704644 [2,0,0,0,0,0|1,0,0]=3 6605 B9R1.1 [13CH3]Oc1ccc(nc1)Cl 7a_100000744096_200025704644 [2,0,0,0,0,0|1,0,0]=3 6606 B9R1.1 [13CH3]Oc1ccc(nc1)F 34a_100000688820_200025704644 [2,0,0,0,0,0|1,1,0]=4 6607 B9R1.1 [13CH3]Oc1ccc(nc1)F 7a_100000688820_200025704644 [2,0,0,0,0,0|1,1,0]=4 6608 B9R1.1 [13CH3]Oc1ccc(nc1)I 34a_100000687607_200025704644 [2,0,0,0,0,0|1,1,0]=4 6609 B9R1.1 [13CH3]Oc1ccc(nc1)I 7a_100000687607_200025704644 [2,0,0,0,0,0|1,1,0]=4 6610 B9R1.1 [13CH3]Oc1ccc(nc1)N 34a_100015188713_200025704644 [2,0,0,0,0,0|2,0,0]=4 6611 B9R1.1 [13CH3]Oc1ccc(nc1)N 7a_100015188713_200025704644 [2,0,0,0,0,0|2,0,0]=4 6612 B9R1.1 [13CH3]Oc1cnc(cn1)Cl 34a_100015839800_200025704644 [2,0,0,0,0,0|2,0,0]=4 6613 B9R1.1 [13CH3]Oc1cnc(nc1)Cl 34a_100000092845_200025704644 [2,0,0,0,0,0|2,0,0]=4 6614 B9R1.1 [13CH3]Oc1cnc(nc1)Cl 7a_100000092845_200025704644 [2,0,0,0,0,0|2,0,0]=4 6615 B9R1.1 [13CH3]Sc1ccc(cc1)Br 62a_100000752885_200025704644 [2,0,0,0,0,0|0,2,0]=4 6616 B9R1.1 [13CH3]Sc1ccc(cc1)Br 62a_200025704644_100000752885 [2,0,0,0,0,0|0,2,0]=4 6617 B9R1.1 [13CH3]Sc1ccc(cc1)Cl 62a_100000755918_200025704644 [2,0,0,0,0,0|0,1,0]=3 6618 B9R1.1 [13CH3]Sc1ccc(cc1)Cl 62a_200025704644_100000755918 [2,0,0,0,0,0|0,1,0]=3 6619 B9R1.1 [13CH3]Sc1ccc(cc1)F 62a_100000211213_200025704644 [2,0,0,0,0,0|0,2,0]=4 6620 B9R1.1 [13CH3]Sc1ccc(cc1)F 62a_200025704644_100000211213 [2,0,0,0,0,0|0,2,0]=4 6621 B9R1.1 [13CH3]Sc1ccc(cc1)N 62a_100000185761_200025704644 [2,0,0,0,0,0|1,1,0]=4 6622 B9R1.1 [13CH3]Sc1ccc(cc1)N 62a_200025704644_100000185761 [2,0,0,0,0,0|1,1,0]=4 6623 B9R1.1 [13CH3]Sc1ccc(cc1)O 62a_200025704644_100000185759 [2,0,0,0,0,0|1,1,0]=4 6624 B9R1.1 [13CH3]Sc1ccc(cn1)Cl 62a_100011356976_200025704644 [2,0,0,0,0,0|1,1,0]=4 6625 B9R1.1 [13CH3]Sc1ccc(cn1)Cl 62a_200025704644_100011356976 [2,0,0,0,0,0|1,1,0]=4 6626 B9R1.1 [13CH3]Sc1ccc(nc1)Cl 62a_100000034144_200025704644 [2,0,0,0,0,0|1,1,0]=4 6627 B9R1.1 [13CH3]Sc1ccc(nc1)Cl 62a_200025704644_100000034144 [2,0,0,0,0,0|1,1,0]=4 6628 B9R1.8 CC=Cc1ccccc1 271570a_100016259895_100000210277 [2,0,0,0,0,0|1,0,1]=4 6629 B9R1.8 CCNc1ccccc1 34a_100000106764_100000210202 [2,0,0,0,0,0|1,0,0]=3 6630 B9R1.8 CCOc1ccccc1 34a_100000210340_100000210202 [2,0,0,0,0,0|0,0,0]=2 6631 B9R1.8 CCOc1ccccc1 7a_100000210340_100000210202 [2,0,0,0,0,0|0,0,0]=2 6632 B9R1.8 CCOc1cccnc1 34a_100000210849_100000210202 [2,0,0,0,0,0|1,0,0]=3 6633 B9R1.8 CCOc1cccnc1 7a_100000210849_100000210202 [2,0,0,0,0,0|1,0,0]=3 6634 B9R1.8 CCOc1ccncc1 34a_100000212176_100000210202 [2,0,0,0,0,0|1,0,0]=3 6635 B9R1.8 CCOc1ccnnc1 34a_100015204005_100000210202 [2,0,0,0,0,0|2,0,0]=4 6636 B9R1.8 CCOc1cncnc1 7a_100000754086_100000210202 [2,0,0,0,0,0|2,0,0]=4 6637 B9R1.8 CCSc1ccccc1 62a_100000210202_100000041952 [2,0,0,0,0,0|0,1,0]=3 6638 B9R1.8 CCSc1ccccc1 62a_100000719477_100000210202 [2,0,0,0,0,0|0,1,0]=3 6639 B9R1.8 CCSc1ccccn1 62a_100000210202_100011216584 [2,0,0,0,0,0|1,1,0]=4 6640 B9R1.8 CCSc1ccccn1 62a_100011216584_100000210202 [2,0,0,0,0,0|1,1,0]=4 6641 B9R1.8 CCSc1cccnc1 62a_100000210063_100000210202 [2,0,0,0,0,0|1,1,0]=4 6642 B9R1.8 CCSc1cccnc1 62a_100000210202_100000210063 [2,0,0,0,0,0|1,1,0]=4 6643 B9R1.8 CCSc1ccncc1 62a_100000210202_100000728582 [2,0,0,0,0,0|1,1,0]=4 6644 B9R1.8 CCSc1ccncc1 62a_100000728582_100000210202 [2,0,0,0,0,0|1,1,0]=4 6645 B9R1.8 CNCc1ccccc1 207a_100102657272_100015611070 [2,0,0,0,0,0|2,0,0]=4 6646 B9R1.8 CNCc1ccccc1 2230a_100015324214_200000210301 [2,0,0,0,0,0|2,0,0]=4 6647 B9R1.8 CNCc1ccccc1 2230a_106832991635_100015291786 [2,0,0,0,0,0|2,0,0]=4 6648 B9R1.8 CNCc1ccccc1 270004a_106832991635_100015611070 [2,0,0,0,0,0|2,0,0]=4 6649 B9R1.8 CNCc1ccccc1 34a_100015324214_200000210301 [2,0,0,0,0,0|2,0,0]=4 6650 B9R1.8 CNCc1ccccc1 34a_100102657272_100015291786 [2,0,0,0,0,0|2,0,0]=4 6651 B9R1.8 CNCc1ccccc1 7a_106832991635_100000211182 [2,0,0,0,0,0|2,0,0]=4 6652 B9R1.8 COCc1ccccc1 34a_100000210790_200000210301 [2,0,0,0,0,0|2,0,0]=4 6653 B9R1.8 COCc1ccccc1 34a_100138415774_100015291786 [2,0,0,0,0,0|2,0,0]=4 6654 B9R1.8 COCc1ccccc1 7a_100000210790_200000210301 [2,0,0,0,0,0|2,0,0]=4 6655 B9R1.8 CSCc1ccccc1 62a_100000211182_200000210301 [2,0,0,0,0,0|2,0,0]=4 6656 B9R1.8 CSCc1ccccc1 62a_200000210301_100015291786 [2,0,0,0,0,0|2,0,0]=4 6657 B9R1.8 FCNc1ccccc1 34a_100000106764_100015361967 [2,0,0,0,0,0|2,0,0]=4 6658 B9R1.8 FCOc1ccccc1 34a_100000210340_100015361967 [2,0,0,0,0,0|1,0,0]=3 6659 B9R1.8 FCOc1ccccc1 7a_100000210340_100015361967 [2,0,0,0,0,0|1,0,0]=3 6660 B9R1.8 FCOc1cccnc1 34a_100000210849_100015361967 [2,0,0,0,0,0|2,0,0]=4 6661 B9R1.8 FCOc1cccnc1 7a_100000210849_100015361967 [2,0,0,0,0,0|2,0,0]=4 6662 B9R1.8 FCOc1ccncc1 34a_100000212176_100015361967 [2,0,0,0,0,0|2,0,0]=4 6663 B9R1.8 FCSc1ccccc1 62a_100000719477_100015361967 [2,0,0,0,0,0|1,1,0]=4 6664 B9R1.8 FCSc1ccccc1 62a_100015361967_100000041952 [2,0,0,0,0,0|1,1,0]=4 6665 B9R1.8 [13CH3]NCc1ccccc1 2230a_100015324214_200025704644 [2,0,0,0,0,0|2,0,0]=4 6666 B9R1.8 [13CH3]NCc1ccccc1 34a_100015324214_200025704644 [2,0,0,0,0,0|2,0,0]=4 6667 B9R1.8 [13CH3]OCc1ccccc1 34a_100000210790_200025704644 [2,0,0,0,0,0|2,0,0]=4 6668 B9R1.8 [13CH3]OCc1ccccc1 7a_100000210790_200025704644 [2,0,0,0,0,0|2,0,0]=4 6669 B9R1.8 [13CH3]SCc1ccccc1 62a_100000211182_200025704644 [2,0,0,0,0,0|2,0,0]=4 6670 B9R1.8 [13CH3]SCc1ccccc1 62a_200025704644_100015291786 [2,0,0,0,0,0|2,0,0]=4 6671 B11R1.20 CC(=Cc1ccc(cc1)Cl)C 271570a_100102525489_100000755918 [1,1,0,0,0,0|1,0,1]=4 6672 B11R1.20 CC(=O)Cc1ccc(cc1)Cl 1458a_100000070787_100000694040 [1,1,0,0,0,0|0,0,2]=4 6673 B11R1.20 CC(=O)Cc1ccc(cc1)Cl 1458a_100000211027_200000210301 [1,1,0,0,0,0|0,0,2]=4 6674 B11R1.20 CC(=O)Nc1ccc(cc1)Cl 11a_100000210052_100015343762 [1,1,0,0,0,0|1,0,1]=4 6675 B11R1.20 CC(=O)Nc1ccc(cc1)Cl 1626a_100000210052_100015343762 [1,1,0,0,0,0|1,0,1]=4 6676 B11R1.20 CC(=O)Nc1ccc(cc1)Cl 22a_100000210052_100000070787 [1,1,0,0,0,0|1,0,1]=4 6677 B11R1.20 CC(=O)Nc1ccc(cc1)Cl 527a_100000210052_100103153847 [1,1,0,0,0,0|1,0,1]=4 6678 B11R1.20 CC(=O)Oc1ccc(cc1)O 271570a_203496583355_100000002173 [1,1,0,0,0,0|1,0,1]=4 6679 B11R1.20 CC(=S)Oc1ccc(cc1)O 271570a_203496583355_200009816735 [1,1,0,0,0,0|1,0,1]=4 6680 B11R1.20 CC(C)Cc1ccc(cc1)O 271570a_203496583355_100011221366 [1,1,0,0,0,0|2,0,0]=4 6681 B11R1.20 CC(C)Nc1ccc(cc1)Br 2230a_100000210018_100000210206 [1,1,0,0,0,0|1,1,0]=4 6682 B11R1.20 CC(C)Nc1ccc(cc1)Br 34a_100000210018_100000210206 [1,1,0,0,0,0|1,1,0]=4 6683 B11R1.20 CC(C)Nc1ccc(cc1)Cl 2230a_100000210052_100000210206 [1,1,0,0,0,0|1,0,0]=3 6684 B11R1.20 CC(C)Nc1ccc(cc1)Cl 34a_100000210052_100000210206 [1,1,0,0,0,0|1,0,0]=3 6685 B11R1.20 CC(C)Nc1ccc(cc1)F 34a_100000185862_100000210206 [1,1,0,0,0,0|1,1,0]=4 6686 B11R1.20 CC(C)Nc1ccc(cc1)I 34a_100000185761_100000210206 [1,1,0,0,0,0|1,1,0]=4 6687 B11R1.20 CC(C)Nc1ccc(cc1)O 271570a_203496583355_100000219625 [1,1,0,0,0,0|2,0,0]=4 6688 B11R1.20 CC(C)Nc1ccc(cc1)O 34a_100000185829_100000210206 [1,1,0,0,0,0|2,0,0]=4 6689 B11R1.20 CC(C)Oc1ccc(=O)[nH]c1 34a_100000075641_100000210206 [1,1,0,0,0,0|2,0,0]=4 6690 B11R1.20 CC(C)Oc1ccc(cc1)Br 34a_100000185759_100000210206 [1,1,0,0,0,0|0,1,0]=3 6691 B11R1.20 CC(C)Oc1ccc(cc1)Br 7a_100000185759_100000210206 [1,1,0,0,0,0|0,1,0]=3 6692 B11R1.20 CC(C)Oc1ccc(cc1)Cl 34a_100000210216_100000210206 [1,1,0,0,0,0|0,0,0]=2 6693 B11R1.20 CC(C)Oc1ccc(cc1)Cl 7a_100000210216_100000210206 [1,1,0,0,0,0|0,0,0]=2 6694 B11R1.20 CC(C)Oc1ccc(cc1)F 34a_100000210339_100000210206 [1,1,0,0,0,0|0,1,0]=3 6695 B11R1.20 CC(C)Oc1ccc(cc1)I 34a_100000212066_100000210206 [1,1,0,0,0,0|0,1,0]=3 6696 B11R1.20 CC(C)Oc1ccc(cc1)I 7a_100000212066_100000210206 [1,1,0,0,0,0|0,1,0]=3 6697 B11R1.20 CC(C)Oc1ccc(cc1)N 34a_100000185829_100000210206 [1,1,0,0,0,0|1,0,0]=3 6698 B11R1.20 CC(C)Oc1ccc(cc1)O 271570a_203496583355_100000169947 [1,1,0,0,0,0|1,0,0]=3 6699 B11R1.20 CC(C)Oc1ccc(cn1)Cl 34a_100011215309_100000210206 [1,1,0,0,0,0|1,0,0]=3 6700 B11R1.20 CC(C)Oc1ccc(cn1)F 34a_100000742473_100000210206 [1,1,0,0,0,0|1,1,0]=4 6701 B11R1.20 CC(C)Oc1ccc(cn1)N 34a_100000729260_100000210206 [1,1,0,0,0,0|2,0,0]=4 6702 B11R1.20 CC(C)Oc1ccc(cn1)O 271570a_203496583355_100000688564 [1,1,0,0,0,0|2,0,0]=4 6703 B11R1.20 CC(C)Oc1ccc(nc1)Br 34a_100000685995_100000210206 [1,1,0,0,0,0|1,1,0]=4 6704 B11R1.20 CC(C)Oc1ccc(nc1)Br 7a_100000685995_100000210206 [1,1,0,0,0,0|1,1,0]=4 6705 B11R1.20 CC(C)Oc1ccc(nc1)Cl 34a_100000744096_100000210206 [1,1,0,0,0,0|1,0,0]=3 6706 B11R1.20 CC(C)Oc1ccc(nc1)Cl 7a_100000744096_100000210206 [1,1,0,0,0,0|1,0,0]=3 6707 B11R1.20 CC(C)Oc1ccc(nc1)F 34a_100000688820_100000210206 [1,1,0,0,0,0|1,1,0]=4 6708 B11R1.20 CC(C)Oc1ccc(nc1)F 7a_100000688820_100000210206 [1,1,0,0,0,0|1,1,0]=4 6709 B11R1.20 CC(C)Oc1ccc(nc1)I 34a_100000687607_100000210206 [1,1,0,0,0,0|1,1,0]=4 6710 B11R1.20 CC(C)Oc1ccc(nc1)I 7a_100000687607_100000210206 [1,1,0,0,0,0|1,1,0]=4 6711 B11R1.20 CC(C)Oc1ccc(nc1)N 34a_100015188713_100000210206 [1,1,0,0,0,0|2,0,0]=4 6712 B11R1.20 CC(C)Oc1ccc(nc1)N 7a_100015188713_100000210206 [1,1,0,0,0,0|2,0,0]=4 6713 B11R1.20 CC(C)Oc1ccc(nc1)O 271570a_203496583355_100012354243 [1,1,0,0,0,0|2,0,0]=4 6714 B11R1.20 CC(C)Oc1cnc(cn1)Cl 34a_100015839800_100000210206 [1,1,0,0,0,0|2,0,0]=4 6715 B11R1.20 CC(C)Oc1cnc(nc1)Cl 34a_100000092845_100000210206 [1,1,0,0,0,0|2,0,0]=4 6716 B11R1.20 CC(C)Oc1cnc(nc1)Cl 7a_100000092845_100000210206 [1,1,0,0,0,0|2,0,0]=4 6717 B11R1.20 CC(C)Sc1ccc(cc1)Br 62a_100000210206_100000752885 [1,1,0,0,0,0|0,2,0]=4 6718 B11R1.20 CC(C)Sc1ccc(cc1)Br 62a_100000752885_100000210206 [1,1,0,0,0,0|0,2,0]=4 6719 B11R1.20 CC(C)Sc1ccc(cc1)Cl 62a_100000210206_100000755918 [1,1,0,0,0,0|0,1,0]=3 6720 B11R1.20 CC(C)Sc1ccc(cc1)Cl 62a_100000755918_100000210206 [1,1,0,0,0,0|0,1,0]=3 6721 B11R1.20 CC(C)Sc1ccc(cc1)F 62a_100000210206_100000211213 [1,1,0,0,0,0|0,2,0]=4 6722 B11R1.20 CC(C)Sc1ccc(cc1)F 62a_100000211213_100000210206 [1,1,0,0,0,0|0,2,0]=4 6723 B11R1.20 CC(C)Sc1ccc(cc1)N 62a_100000185761_100000210206 [1,1,0,0,0,0|1,1,0]=4 6724 B11R1.20 CC(C)Sc1ccc(cc1)N 62a_100000210206_100000185761 [1,1,0,0,0,0|1,1,0]=4 6725 B11R1.20 CC(C)Sc1ccc(cc1)O 271570a_203496583355_100009811894 [1,1,0,0,0,0|1,1,0]=4 6726 B11R1.20 CC(C)Sc1ccc(cc1)O 62a_100000210206_100000185759 [1,1,0,0,0,0|1,1,0]=4 6727 B11R1.20 CC(C)Sc1ccc(cn1)Cl 62a_100000210206_100011356976 [1,1,0,0,0,0|1,1,0]=4 6728 B11R1.20 CC(C)Sc1ccc(cn1)Cl 62a_100011356976_100000210206 [1,1,0,0,0,0|1,1,0]=4 6729 B11R1.20 CC(C)Sc1ccc(nc1)Cl 62a_100000034144_100000210206 [1,1,0,0,0,0|1,1,0]=4 6730 B11R1.20 CC(C)Sc1ccc(nc1)Cl 62a_100000210206_100000034144 [1,1,0,0,0,0|1,1,0]=4 6731 B11R1.20 CN(C)Cc1ccc(cc1)Cl 2230a_100000184517_200000210301 [1,1,0,0,0,0|2,0,0]=4 6732 B11R1.20 CN(C)Cc1ccc(cc1)Cl 2230a_100102631434_100000694040 [1,1,0,0,0,0|2,0,0]=4 6733 B11R1.20 CN(C)Cc1ccc(cc1)Cl 269982a_100000184517_200000210301 [1,1,0,0,0,0|2,0,0]=4 6734 B11R1.20 CN(C)Cc1ccc(cc1)Cl 269982a_100102631434_100000187161 [1,1,0,0,0,0|2,0,0]=4 6735 B11R1.20 CN(C)Cc1ccc(cc1)Cl 270004a_100102631434_100000189385 [1,1,0,0,0,0|2,0,0]=4 6736 B11R1.20 CN(C)Cc1ccc(cc1)Cl 34a_100000184517_200000210301 [1,1,0,0,0,0|2,0,0]=4 6737 B11R1.20 CN([13CH3])Cc1ccc(cc1)Cl 2230a_100000184517_200025704644 [1,1,0,0,0,0|2,0,0]=4 6738 B11R1.20 CN([13CH3])Cc1ccc(cc1)Cl 269982a_100000184517_200025704644 [1,1,0,0,0,0|2,0,0]=4 6739 B11R1.20 CN([13CH3])Cc1ccc(cc1)Cl 34a_100000184517_200025704644 [1,1,0,0,0,0|2,0,0]=4 6740 B11R1.20 Cc1ccc(cc1)NC(C)C 34a_100000124888_100000210206 [1,1,0,0,0,0|2,0,0]=4 6741 B11R1.20 Cc1ccc(cc1)OC(C)C 34a_100000210336_100000210206 [1,1,0,0,0,0|1,0,0]=3 6742 B11R1.20 Cc1ccc(cc1)OC(C)C 7a_100000210336_100000210206 [1,1,0,0,0,0|1,0,0]=3 6743 B11R1.20 Cc1ccc(cc1)SC(C)C 62a_100000186775_100000210206 [1,1,0,0,0,0|1,1,0]=4 6744 B11R1.20 Cc1ccc(cc1)SC(C)C 62a_100000210206_100000186775 [1,1,0,0,0,0|1,1,0]=4 6745 B11R1.20 Cc1ccc(cn1)OC(C)C 34a_100000745506_100000210206 [1,1,0,0,0,0|2,0,0]=4 6746 B11R1.20 Cc1ccc(cn1)OC(C)C 7a_100000745506_100000210206 [1,1,0,0,0,0|2,0,0]=4 6747 B11R1.20 Cc1ccc(nc1)OC(C)C 34a_100000759353_100000210206 [1,1,0,0,0,0|2,0,0]=4 6748 B11R1.20 Oc1ccc(cc1)OC(F)F 271570a_203496583355_100000179047 [1,1,0,0,0,0|2,0,0]=4 6749 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)Cl 1458a_100000211027_200025704644 [1,1,0,0,0,0|0,0,2]=4 6750 B11R1.22 CC(S[13CH3])c1ccc(cc1)Cl 62a_100000684792_200025704644 [1,1,0,0,0,0|2,0,0]=4 6751 B11R1.22 CC(S[13CH3])c1ccc(cc1)Cl 62a_200025704644_100000684792 [1,1,0,0,0,0|2,0,0]=4 6752 B11R1.22 CCC(=O)c1ccc(cc1)Br 1458a_100000185839_100000210202 [1,1,0,0,0,0|1,1,0]=4 6753 B11R1.22 CCC(=O)c1ccc(cc1)C 1458a_100000188618_100000210202 [1,1,0,0,0,0|2,0,0]=4 6754 B11R1.22 CCC(=O)c1ccc(cc1)Cl 1458a_100000210187_100000210202 [1,1,0,0,0,0|1,0,0]=3 6755 B11R1.22 CCC(=O)c1ccc(cc1)F 1458a_100000187176_100000210202 [1,1,0,0,0,0|1,1,0]=4 6756 B11R1.22 CCC(=O)c1ccc(cc1)I 1458a_100000187904_100000210202 [1,1,0,0,0,0|1,1,0]=4 6757 B11R1.22 CCC(=O)c1ccc(cc1)O 1458a_100000212099_100000210202 [1,1,0,0,0,0|2,0,0]=4 6758 B11R1.22 CCC(=O)c1ccc(cc1)O 271570a_203496583355_100000211647 [1,1,0,0,0,0|2,0,0]=4 6759 B11R1.22 CCC(C)c1ccc(cc1)O 271570a_203496583355_100011221364 [1,1,0,0,0,0|2,0,0]=4 6760 B11R1.22 CCC(O)c1ccc(cc1)O 271570a_203496583355_100000246506 [1,1,0,0,0,0|2,0,0]=4 6761 B11R1.22 CCN(C)c1ccc(cc1)Br 2230a_100000219623_100000210202 [1,1,0,0,0,0|1,1,0]=4 6762 B11R1.22 CCN(C)c1ccc(cc1)Br 2230a_100000219632_200000210301 [1,1,0,0,0,0|1,1,0]=4 6763 B11R1.22 CCN(C)c1ccc(cc1)Br 269982a_100000219623_100000204670 [1,1,0,0,0,0|1,1,0]=4 6764 B11R1.22 CCN(C)c1ccc(cc1)Br 269982a_100000219632_200000210301 [1,1,0,0,0,0|1,1,0]=4 6765 B11R1.22 CCN(C)c1ccc(cc1)Br 34a_100000219623_100000210202 [1,1,0,0,0,0|1,1,0]=4 6766 B11R1.22 CCN(C)c1ccc(cc1)Br 34a_100000219632_200000210301 [1,1,0,0,0,0|1,1,0]=4 6767 B11R1.22 CCN(C)c1ccc(cc1)C 2230a_100000219977_100000210202 [1,1,0,0,0,0|2,0,0]=4 6768 B11R1.22 CCN(C)c1ccc(cc1)C 2230a_100000219985_200000210301 [1,1,0,0,0,0|2,0,0]=4 6769 B11R1.22 CCN(C)c1ccc(cc1)C 269982a_100000219977_100000204670 [1,1,0,0,0,0|2,0,0]=4 6770 B11R1.22 CCN(C)c1ccc(cc1)C 269982a_100000219985_200000210301 [1,1,0,0,0,0|2,0,0]=4 6771 B11R1.22 CCN(C)c1ccc(cc1)C 34a_100000219977_100000210202 [1,1,0,0,0,0|2,0,0]=4 6772 B11R1.22 CCN(C)c1ccc(cc1)C 34a_100000219985_200000210301 [1,1,0,0,0,0|2,0,0]=4 6773 B11R1.22 CCN(C)c1ccc(cc1)Cl 2230a_100000220165_200000210301 [1,1,0,0,0,0|1,0,0]=3 6774 B11R1.22 CCN(C)c1ccc(cc1)Cl 2230a_100020629279_100000210202 [1,1,0,0,0,0|1,0,0]=3 6775 B11R1.22 CCN(C)c1ccc(cc1)Cl 269982a_100000220165_200000210301 [1,1,0,0,0,0|1,0,0]=3 6776 B11R1.22 CCN(C)c1ccc(cc1)Cl 269982a_100020629279_100000204670 [1,1,0,0,0,0|1,0,0]=3 6777 B11R1.22 CCN(C)c1ccc(cc1)Cl 34a_100000220165_200000210301 [1,1,0,0,0,0|1,0,0]=3 6778 B11R1.22 CCN(C)c1ccc(cc1)Cl 34a_100020629279_100000210202 [1,1,0,0,0,0|1,0,0]=3 6779 B11R1.22 CCN(C)c1ccc(cc1)F 2230a_100000219829_100000210202 [1,1,0,0,0,0|1,1,0]=4 6780 B11R1.22 CCN(C)c1ccc(cc1)F 2230a_100102640331_200000210301 [1,1,0,0,0,0|1,1,0]=4 6781 B11R1.22 CCN(C)c1ccc(cc1)F 269982a_100000219829_100000204670 [1,1,0,0,0,0|1,1,0]=4 6782 B11R1.22 CCN(C)c1ccc(cc1)F 269982a_100102640331_200000210301 [1,1,0,0,0,0|1,1,0]=4 6783 B11R1.22 CCN(C)c1ccc(cc1)F 34a_100000219829_100000210202 [1,1,0,0,0,0|1,1,0]=4 6784 B11R1.22 CCN(C)c1ccc(cc1)F 34a_100102640331_200000210301 [1,1,0,0,0,0|1,1,0]=4 6785 B11R1.22 CCN(C)c1ccc(cc1)I 2230a_100000743151_100000210202 [1,1,0,0,0,0|1,1,0]=4 6786 B11R1.22 CCN(C)c1ccc(cc1)I 269982a_100000743151_100000204670 [1,1,0,0,0,0|1,1,0]=4 6787 B11R1.22 CCN(C)c1ccc(cc1)I 34a_100000743151_100000210202 [1,1,0,0,0,0|1,1,0]=4 6788 B11R1.22 CCN(C)c1ccc(cc1)O 2230a_100011337800_200000210301 [1,1,0,0,0,0|2,0,0]=4 6789 B11R1.22 CCN(C)c1ccc(cc1)O 269982a_100000182112_100000204670 [1,1,0,0,0,0|2,0,0]=4 6790 B11R1.22 CCN(C)c1ccc(cc1)O 269982a_100011337800_200000210301 [1,1,0,0,0,0|2,0,0]=4 6791 B11R1.22 CCN(C)c1ccc(cc1)O 34a_100000182112_100000210202 [1,1,0,0,0,0|2,0,0]=4 6792 B11R1.22 CCN(C)c1ccc(cc1)O 34a_100011337800_200000210301 [1,1,0,0,0,0|2,0,0]=4 6793 B11R1.22 CCN([13CH3])c1ccc(cc1)Br 2230a_100000219632_200025704644 [1,1,0,0,0,0|1,1,0]=4 6794 B11R1.22 CCN([13CH3])c1ccc(cc1)Br 269982a_100000219632_200025704644 [1,1,0,0,0,0|1,1,0]=4 6795 B11R1.22 CCN([13CH3])c1ccc(cc1)Br 34a_100000219632_200025704644 [1,1,0,0,0,0|1,1,0]=4 6796 B11R1.22 CCN([13CH3])c1ccc(cc1)C 2230a_100000219985_200025704644 [1,1,0,0,0,0|2,0,0]=4 6797 B11R1.22 CCN([13CH3])c1ccc(cc1)C 269982a_100000219985_200025704644 [1,1,0,0,0,0|2,0,0]=4 6798 B11R1.22 CCN([13CH3])c1ccc(cc1)C 34a_100000219985_200025704644 [1,1,0,0,0,0|2,0,0]=4 6799 B11R1.22 CCN([13CH3])c1ccc(cc1)Cl 2230a_100000220165_200025704644 [1,1,0,0,0,0|1,0,0]=3 6800 B11R1.22 CCN([13CH3])c1ccc(cc1)Cl 269982a_100000220165_200025704644 [1,1,0,0,0,0|1,0,0]=3 6801 B11R1.22 CCN([13CH3])c1ccc(cc1)Cl 34a_100000220165_200025704644 [1,1,0,0,0,0|1,0,0]=3 6802 B11R1.22 CCN([13CH3])c1ccc(cc1)F 2230a_100102640331_200025704644 [1,1,0,0,0,0|1,1,0]=4 6803 B11R1.22 CCN([13CH3])c1ccc(cc1)F 269982a_100102640331_200025704644 [1,1,0,0,0,0|1,1,0]=4 6804 B11R1.22 CCN([13CH3])c1ccc(cc1)F 34a_100102640331_200025704644 [1,1,0,0,0,0|1,1,0]=4 6805 B11R1.22 CCN([13CH3])c1ccc(cc1)O 2230a_100011337800_200025704644 [1,1,0,0,0,0|2,0,0]=4 6806 B11R1.22 CCN([13CH3])c1ccc(cc1)O 269982a_100011337800_200025704644 [1,1,0,0,0,0|2,0,0]=4 6807 B11R1.22 CCN([13CH3])c1ccc(cc1)O 34a_100011337800_200025704644 [1,1,0,0,0,0|2,0,0]=4 6808 B11R1.22 CC[C@H](N)c1ccc(cc1)O 271570a_203496583355_100025736560 [1,1,0,0,0,0|2,0,0]=4 6809 B11R1.22 CN(CF)c1ccc(cc1)Cl 269982a_100020629279_100015361967 [1,1,0,0,0,0|2,0,0]=4 6810 B11R1.22 CN(CF)c1ccc(cc1)Cl 34a_100020629279_100015361967 [1,1,0,0,0,0|2,0,0]=4 6811 B11R1.22 CNC(=O)c1ccc(cc1)Cl 11a_106832991635_100000210187 [1,1,0,0,0,0|2,0,0]=4 6812 B11R1.22 CNC(=O)c1ccc(cc1)Cl 1626a_100102657272_100000210187 [1,1,0,0,0,0|2,0,0]=4 6813 B11R1.22 CNC(=O)c1ccc(cc1)Cl 240690a_100102657272_100000210187 [1,1,0,0,0,0|2,0,0]=4 6814 B11R1.22 CNC(=O)c1ccc(cc1)Cl 527a_100102657272_100000210187 [1,1,0,0,0,0|2,0,0]=4 6815 B11R1.22 CNC(C)c1ccc(cc1)Cl 2230a_106832991635_100000684792 [1,1,0,0,0,0|2,0,0]=4 6816 B11R1.22 CNC(C)c1ccc(cc1)Cl 269862a_106832991636_100000185797 [1,1,0,0,0,0|2,0,0]=4 6817 B11R1.22 CNC(C)c1ccc(cc1)Cl 7a_106832991635_100000684792 [1,1,0,0,0,0|2,0,0]=4 6818 B11R1.22 CN[C@H](C)c1ccc(cc1)Cl 2230a_100015205461_200000210301 [1,1,0,0,0,0|2,0,0]=4 6819 B11R1.22 CN[C@H](C)c1ccc(cc1)Cl 34a_100015205461_200000210301 [1,1,0,0,0,0|2,0,0]=4 6820 B11R1.22 CO[C@@H](C)c1ccc(cc1)Cl 34a_100011852131_200000210301 [1,1,0,0,0,0|2,0,0]=4 6821 B11R1.22 CO[C@@H](C)c1ccc(cc1)Cl 7a_100011852131_200000210301 [1,1,0,0,0,0|2,0,0]=4 6822 B11R1.22 CSC(C)c1ccc(cc1)Cl 62a_100000684792_200000210301 [1,1,0,0,0,0|2,0,0]=4 6823 B11R1.22 CSC(C)c1ccc(cc1)Cl 62a_200000210301_100000684792 [1,1,0,0,0,0|2,0,0]=4 6824 B11R1.22 C[C@@H](N[13CH3])c1ccc(cc1)Cl 2230a_100015205461_200025704644 [1,1,0,0,0,0|2,0,0]=4 6825 B11R1.22 C[C@@H](N[13CH3])c1ccc(cc1)Cl 34a_100015205461_200025704644 [1,1,0,0,0,0|2,0,0]=4 6826 B11R1.22 C[C@H](O[13CH3])c1ccc(cc1)Cl 34a_100011852131_200025704644 [1,1,0,0,0,0|2,0,0]=4 6827 B11R1.22 C[C@H](O[13CH3])c1ccc(cc1)Cl 7a_100011852131_200025704644 [1,1,0,0,0,0|2,0,0]=4 6828 B11R1.22 NC(CO)c1ccc(cc1)O 271570a_203496583355_100000734186 [1,1,0,0,0,0|1,0,0]=3 6829 B11R1.22 NCC(O)c1ccc(cc1)O 271570a_203496583355_100020626992 [1,1,0,0,0,0|2,0,0]=4 6830 B11R1.22 O=C(CF)c1ccc(cc1)Cl 1458a_100000210187_100015361967 [1,1,0,0,0,0|1,0,1]=4 6831 B11R1.22 O=C(CO)c1ccc(cc1)O 271570a_203496583355_100011219529 [1,1,0,0,0,0|1,0,1]=4 6832 B11R1.22 OCC(O)c1ccc(cc1)O 271570a_203496583355_200012355997 [1,1,0,0,0,0|1,0,0]=3 6833 B11R1.81 CC=Cc1ccc(cc1Br)Cl 271570a_100016259895_100011219703 [1,1,0,0,0,0|1,0,1]=4 6834 B11R1.81 CC=Cc1ccc(cc1C)Cl 271570a_100016259895_100011219607 [1,1,0,0,0,0|1,0,1]=4 6835 B11R1.81 CC=Cc1ccc(cc1Cl)Cl 271570a_100016259895_100000699841 [1,1,0,0,0,0|1,0,1]=4 6836 B11R1.81 CC=Cc1ccc(cc1F)Cl 271570a_100016259895_100011216042 [1,1,0,0,0,0|1,0,1]=4 6837 B11R1.81 CC=Cc1ccc(cc1N)Cl 271570a_100016259895_100000761886 [1,1,0,0,0,0|1,0,1]=4 6838 B11R1.81 CC=Cc1ccc(cc1O)Cl 271570a_100016259895_100000050036 [1,1,0,0,0,0|1,0,1]=4 6839 B11R1.81 CCNc1ccc(cc1Br)Br 34a_100000211012_100000210202 [1,1,0,0,0,0|1,1,0]=4 6840 B11R1.81 CCNc1ccc(cc1Br)C 34a_100000210942_100000210202 [1,1,0,0,0,0|2,0,0]=4 6841 B11R1.81 CCNc1ccc(cc1Br)Cl 34a_100000752454_100000210202 [1,1,0,0,0,0|1,0,0]=3 6842 B11R1.81 CCNc1ccc(cc1Br)F 34a_100000738039_100000210202 [1,1,0,0,0,0|1,1,0]=4 6843 B11R1.81 CCNc1ccc(cc1Br)O 34a_100012001276_100000210202 [1,1,0,0,0,0|2,0,0]=4 6844 B11R1.81 CCNc1ccc(cc1C)Br 34a_100000211769_100000210202 [1,1,0,0,0,0|1,1,0]=4 6845 B11R1.81 CCNc1ccc(cc1C)Br 7a_100000211769_100000210202 [1,1,0,0,0,0|1,1,0]=4 6846 B11R1.81 CCNc1ccc(cc1C)C 34a_100000736561_100000210202 [1,1,0,0,0,0|2,0,0]=4 6847 B11R1.81 CCNc1ccc(cc1C)C 7a_100000736561_100000210202 [1,1,0,0,0,0|2,0,0]=4 6848 B11R1.81 CCNc1ccc(cc1C)Cl 34a_100000210418_100000210202 [1,1,0,0,0,0|1,0,0]=3 6849 B11R1.81 CCNc1ccc(cc1C)Cl 7a_100000210418_100000210202 [1,1,0,0,0,0|1,0,0]=3 6850 B11R1.81 CCNc1ccc(cc1C)F 34a_100000211637_100000210202 [1,1,0,0,0,0|1,1,0]=4 6851 B11R1.81 CCNc1ccc(cc1C)F 7a_100000211637_100000210202 [1,1,0,0,0,0|1,1,0]=4 6852 B11R1.81 CCNc1ccc(cc1C)I 34a_100000184554_100000210202 [1,1,0,0,0,0|1,1,0]=4 6853 B11R1.81 CCNc1ccc(cc1C)I 7a_100000184554_100000210202 [1,1,0,0,0,0|1,1,0]=4 6854 B11R1.81 CCNc1ccc(cc1C)O 34a_100000756630_100000210202 [1,1,0,0,0,0|2,0,0]=4 6855 B11R1.81 CCNc1ccc(cc1Cl)Br 34a_100000211467_100000210202 [1,1,0,0,0,0|1,1,0]=4 6856 B11R1.81 CCNc1ccc(cc1Cl)C 34a_100000210522_100000210202 [1,1,0,0,0,0|2,0,0]=4 6857 B11R1.81 CCNc1ccc(cc1Cl)Cl 34a_100000185861_100000210202 [1,1,0,0,0,0|1,0,0]=3 6858 B11R1.81 CCNc1ccc(cc1Cl)F 34a_100000212003_100000210202 [1,1,0,0,0,0|1,1,0]=4 6859 B11R1.81 CCNc1ccc(cc1Cl)I 34a_100011218065_100000210202 [1,1,0,0,0,0|1,1,0]=4 6860 B11R1.81 CCNc1ccc(cc1Cl)O 34a_100011215599_100000210202 [1,1,0,0,0,0|2,0,0]=4 6861 B11R1.81 CCNc1ccc(cc1F)Br 34a_100000210722_100000210202 [1,1,0,0,0,0|1,1,0]=4 6862 B11R1.81 CCNc1ccc(cc1F)C 34a_100000211023_100000210202 [1,1,0,0,0,0|2,0,0]=4 6863 B11R1.81 CCNc1ccc(cc1F)Cl 34a_100000211020_100000210202 [1,1,0,0,0,0|1,0,0]=3 6864 B11R1.81 CCNc1ccc(cc1F)F 34a_100000210720_100000210202 [1,1,0,0,0,0|1,1,0]=4 6865 B11R1.81 CCNc1ccc(cc1F)I 34a_100011215594_100000210202 [1,1,0,0,0,0|1,1,0]=4 6866 B11R1.81 CCNc1ccc(cc1F)O 34a_100000759473_100000210202 [1,1,0,0,0,0|2,0,0]=4 6867 B11R1.81 CCNc1ccc(cc1I)Br 34a_100000187925_100000210202 [1,1,0,0,0,0|1,1,0]=4 6868 B11R1.81 CCNc1ccc(cc1I)C 34a_100011356834_100000210202 [1,1,0,0,0,0|2,0,0]=4 6869 B11R1.81 CCNc1ccc(cc1I)Cl 34a_100000761889_100000210202 [1,1,0,0,0,0|1,0,0]=3 6870 B11R1.81 CCNc1ccc(cc1I)F 34a_100000760547_100000210202 [1,1,0,0,0,0|1,1,0]=4 6871 B11R1.81 CCNc1ccc(cc1I)O 34a_100010084370_100000210202 [1,1,0,0,0,0|2,0,0]=4 6872 B11R1.81 CCNc1ccc(cc1O)Br 34a_100000739049_100000210202 [1,1,0,0,0,0|1,1,0]=4 6873 B11R1.81 CCNc1ccc(cc1O)C 34a_100000211527_100000210202 [1,1,0,0,0,0|2,0,0]=4 6874 B11R1.81 CCNc1ccc(cc1O)Cl 34a_100000185728_100000210202 [1,1,0,0,0,0|1,0,0]=3 6875 B11R1.81 CCNc1ccc(cc1O)F 34a_100000753323_100000210202 [1,1,0,0,0,0|1,1,0]=4 6876 B11R1.81 CCNc1ccc(cc1O)O 34a_100000106777_100000210202 [1,1,0,0,0,0|2,0,0]=4 6877 B11R1.81 CCOc1ccc(cc1Br)Br 34a_100000188717_100000210202 [1,1,0,0,0,0|0,1,0]=3 6878 B11R1.81 CCOc1ccc(cc1Br)Br 7a_100000188717_100000210202 [1,1,0,0,0,0|0,1,0]=3 6879 B11R1.81 CCOc1ccc(cc1Br)C 34a_100000210800_100000210202 [1,1,0,0,0,0|1,0,0]=3 6880 B11R1.81 CCOc1ccc(cc1Br)C 7a_100000210800_100000210202 [1,1,0,0,0,0|1,0,0]=3 6881 B11R1.81 CCOc1ccc(cc1Br)Cl 34a_100000211998_100000210202 [1,1,0,0,0,0|0,0,0]=2 6882 B11R1.81 CCOc1ccc(cc1Br)Cl 7a_100000211998_100000210202 [1,1,0,0,0,0|0,0,0]=2 6883 B11R1.81 CCOc1ccc(cc1Br)F 34a_100000211999_100000210202 [1,1,0,0,0,0|0,1,0]=3 6884 B11R1.81 CCOc1ccc(cc1Br)F 7a_100000211999_100000210202 [1,1,0,0,0,0|0,1,0]=3 6885 B11R1.81 CCOc1ccc(cc1Br)I 34a_100012361655_100000210202 [1,1,0,0,0,0|0,1,0]=3 6886 B11R1.81 CCOc1ccc(cc1Br)I 7a_100012361655_100000210202 [1,1,0,0,0,0|0,1,0]=3 6887 B11R1.81 CCOc1ccc(cc1Br)N 34a_100011534360_100000210202 [1,1,0,0,0,0|1,0,0]=3 6888 B11R1.81 CCOc1ccc(cc1Br)N 7a_100011534360_100000210202 [1,1,0,0,0,0|1,0,0]=3 6889 B11R1.81 CCOc1ccc(cc1C)Br 34a_100000186361_100000210202 [1,1,0,0,0,0|0,1,0]=3 6890 B11R1.81 CCOc1ccc(cc1C)Br 7a_100000186361_100000210202 [1,1,0,0,0,0|0,1,0]=3 6891 B11R1.81 CCOc1ccc(cc1C)C 34a_100000211776_100000210202 [1,1,0,0,0,0|1,0,0]=3 6892 B11R1.81 CCOc1ccc(cc1C)C 7a_100000211776_100000210202 [1,1,0,0,0,0|1,0,0]=3 6893 B11R1.81 CCOc1ccc(cc1C)Cl 34a_100000211091_100000210202 [1,1,0,0,0,0|0,0,0]=2 6894 B11R1.81 CCOc1ccc(cc1C)Cl 7a_100000211091_100000210202 [1,1,0,0,0,0|0,0,0]=2 6895 B11R1.81 CCOc1ccc(cc1C)F 34a_100000764316_100000210202 [1,1,0,0,0,0|0,1,0]=3 6896 B11R1.81 CCOc1ccc(cc1C)F 7a_100000764316_100000210202 [1,1,0,0,0,0|0,1,0]=3 6897 B11R1.81 CCOc1ccc(cc1C)I 34a_100011218673_100000210202 [1,1,0,0,0,0|0,1,0]=3 6898 B11R1.81 CCOc1ccc(cc1C)I 7a_100011218673_100000210202 [1,1,0,0,0,0|0,1,0]=3 6899 B11R1.81 CCOc1ccc(cc1C)N 34a_100011218179_100000210202 [1,1,0,0,0,0|1,0,0]=3 6900 B11R1.81 CCOc1ccc(cc1C)N 7a_100011218179_100000210202 [1,1,0,0,0,0|1,0,0]=3 6901 B11R1.81 CCOc1ccc(cc1C)O 271570a_203496583355_100011308936 [1,1,0,0,0,0|1,0,0]=3 6902 B11R1.81 CCOc1ccc(cc1Cl)Br 34a_100000186472_100000210202 [1,1,0,0,0,0|0,1,0]=3 6903 B11R1.81 CCOc1ccc(cc1Cl)Br 7a_100000186472_100000210202 [1,1,0,0,0,0|0,1,0]=3 6904 B11R1.81 CCOc1ccc(cc1Cl)C 34a_100000749699_100000210202 [1,1,0,0,0,0|1,0,0]=3 6905 B11R1.81 CCOc1ccc(cc1Cl)C 7a_100000749699_100000210202 [1,1,0,0,0,0|1,0,0]=3 6906 B11R1.81 CCOc1ccc(cc1Cl)Cl 34a_100015191787_100000210202 [1,1,0,0,0,0|0,0,0]=2 6907 B11R1.81 CCOc1ccc(cc1Cl)Cl 7a_100015191787_100000210202 [1,1,0,0,0,0|0,0,0]=2 6908 B11R1.81 CCOc1ccc(cc1Cl)F 34a_100000212004_100000210202 [1,1,0,0,0,0|0,1,0]=3 6909 B11R1.81 CCOc1ccc(cc1Cl)F 7a_100000212004_100000210202 [1,1,0,0,0,0|0,1,0]=3 6910 B11R1.81 CCOc1ccc(cc1Cl)I 34a_100012360047_100000210202 [1,1,0,0,0,0|0,1,0]=3 6911 B11R1.81 CCOc1ccc(cc1Cl)I 7a_100012360047_100000210202 [1,1,0,0,0,0|0,1,0]=3 6912 B11R1.81 CCOc1ccc(cc1Cl)N 34a_100000744943_100000210202 [1,1,0,0,0,0|1,0,0]=3 6913 B11R1.81 CCOc1ccc(cc1Cl)N 7a_100000744943_100000210202 [1,1,0,0,0,0|1,0,0]=3 6914 B11R1.81 CCOc1ccc(cc1F)Br 34a_100000185481_100000210202 [1,1,0,0,0,0|0,1,0]=3 6915 B11R1.81 CCOc1ccc(cc1F)Br 7a_100000185481_100000210202 [1,1,0,0,0,0|0,1,0]=3 6916 B11R1.81 CCOc1ccc(cc1F)C 34a_100011216688_100000210202 [1,1,0,0,0,0|1,0,0]=3 6917 B11R1.81 CCOc1ccc(cc1F)C 7a_100011216688_100000210202 [1,1,0,0,0,0|1,0,0]=3 6918 B11R1.81 CCOc1ccc(cc1F)Cl 34a_100000230166_100000210202 [1,1,0,0,0,0|0,0,0]=2 6919 B11R1.81 CCOc1ccc(cc1F)Cl 7a_100000230166_100000210202 [1,1,0,0,0,0|0,0,0]=2 6920 B11R1.81 CCOc1ccc(cc1F)F 34a_100000230127_100000210202 [1,1,0,0,0,0|0,1,0]=3 6921 B11R1.81 CCOc1ccc(cc1F)F 7a_100000230127_100000210202 [1,1,0,0,0,0|0,1,0]=3 6922 B11R1.81 CCOc1ccc(cc1F)I 34a_100011356965_100000210202 [1,1,0,0,0,0|0,1,0]=3 6923 B11R1.81 CCOc1ccc(cc1F)I 7a_100011356965_100000210202 [1,1,0,0,0,0|0,1,0]=3 6924 B11R1.81 CCOc1ccc(cc1F)N 34a_100011220035_100000210202 [1,1,0,0,0,0|1,0,0]=3 6925 B11R1.81 CCOc1ccc(cc1F)N 7a_100011220035_100000210202 [1,1,0,0,0,0|1,0,0]=3 6926 B11R1.81 CCOc1ccc(cc1F)O 271570a_203496583355_200000171753 [1,1,0,0,0,0|1,0,0]=3 6927 B11R1.81 CCOc1ccc(cc1I)Br 34a_100012355227_100000210202 [1,1,0,0,0,0|0,1,0]=3 6928 B11R1.81 CCOc1ccc(cc1I)Br 7a_100012355227_100000210202 [1,1,0,0,0,0|0,1,0]=3 6929 B11R1.81 CCOc1ccc(cc1I)C 34a_100000765521_100000210202 [1,1,0,0,0,0|1,0,0]=3 6930 B11R1.81 CCOc1ccc(cc1I)C 7a_100000765521_100000210202 [1,1,0,0,0,0|1,0,0]=3 6931 B11R1.81 CCOc1ccc(cc1I)Cl 34a_100011356953_100000210202 [1,1,0,0,0,0|0,0,0]=2 6932 B11R1.81 CCOc1ccc(cc1I)Cl 7a_100011356953_100000210202 [1,1,0,0,0,0|0,0,0]=2 6933 B11R1.81 CCOc1ccc(cc1I)F 34a_100012355409_100000210202 [1,1,0,0,0,0|0,1,0]=3 6934 B11R1.81 CCOc1ccc(cc1I)F 7a_100012355409_100000210202 [1,1,0,0,0,0|0,1,0]=3 6935 B11R1.81 CCOc1ccc(cc1I)I 7a_100010001573_100000210202 [1,1,0,0,0,0|0,1,0]=3 6936 B11R1.81 CCOc1ccc(cc1N)Br 34a_100000752626_100000210202 [1,1,0,0,0,0|0,1,0]=3 6937 B11R1.81 CCOc1ccc(cc1N)Br 7a_100000752626_100000210202 [1,1,0,0,0,0|0,1,0]=3 6938 B11R1.81 CCOc1ccc(cc1N)C 34a_100011215204_100000210202 [1,1,0,0,0,0|1,0,0]=3 6939 B11R1.81 CCOc1ccc(cc1N)C 7a_100011215204_100000210202 [1,1,0,0,0,0|1,0,0]=3 6940 B11R1.81 CCOc1ccc(cc1N)Cl 34a_100000210500_100000210202 [1,1,0,0,0,0|0,0,0]=2 6941 B11R1.81 CCOc1ccc(cc1N)Cl 7a_100000210500_100000210202 [1,1,0,0,0,0|0,0,0]=2 6942 B11R1.81 CCOc1ccc(cc1N)F 34a_100000759472_100000210202 [1,1,0,0,0,0|0,1,0]=3 6943 B11R1.81 CCOc1ccc(cc1N)F 7a_100000759472_100000210202 [1,1,0,0,0,0|0,1,0]=3 6944 B11R1.81 CCOc1ccc(cc1N)I 34a_100000753495_100000210202 [1,1,0,0,0,0|0,1,0]=3 6945 B11R1.81 CCOc1ccc(cc1N)I 7a_100000753495_100000210202 [1,1,0,0,0,0|0,1,0]=3 6946 B11R1.81 CCOc1ccc(cc1N)N 34a_100000725306_100000210202 [1,1,0,0,0,0|1,0,0]=3 6947 B11R1.81 CCOc1ccc(cc1N)O 271570a_203496583355_100000751366 [1,1,0,0,0,0|1,0,0]=3 6948 B11R1.81 CCOc1ccc(cc1O)C 271570a_203496583355_200000230997 [1,1,0,0,0,0|1,0,0]=3 6949 B11R1.81 CCOc1ccc(cc1O)F 271570a_203496583355_100000171695 [1,1,0,0,0,0|0,1,0]=3 6950 B11R1.81 CCOc1ccc(nc1Br)Br 34a_100009999766_100000210202 [1,1,0,0,0,0|1,1,0]=4 6951 B11R1.81 CCOc1ccc(nc1Br)Br 7a_100009999766_100000210202 [1,1,0,0,0,0|1,1,0]=4 6952 B11R1.81 CCOc1ccc(nc1Br)C 34a_100000702858_100000210202 [1,1,0,0,0,0|2,0,0]=4 6953 B11R1.81 CCOc1ccc(nc1Br)C 7a_100000702858_100000210202 [1,1,0,0,0,0|2,0,0]=4 6954 B11R1.81 CCOc1ccc(nc1Br)Cl 34a_100010219353_100000210202 [1,1,0,0,0,0|1,0,0]=3 6955 B11R1.81 CCOc1ccc(nc1Br)Cl 7a_100010219353_100000210202 [1,1,0,0,0,0|1,0,0]=3 6956 B11R1.81 CCOc1ccc(nc1Br)F 34a_100009887730_100000210202 [1,1,0,0,0,0|1,1,0]=4 6957 B11R1.81 CCOc1ccc(nc1Br)F 7a_100009887730_100000210202 [1,1,0,0,0,0|1,1,0]=4 6958 B11R1.81 CCOc1ccc(nc1Br)I 34a_100000725334_100000210202 [1,1,0,0,0,0|1,1,0]=4 6959 B11R1.81 CCOc1ccc(nc1Br)I 7a_100000725334_100000210202 [1,1,0,0,0,0|1,1,0]=4 6960 B11R1.81 CCOc1ccc(nc1C)Br 34a_100012002022_100000210202 [1,1,0,0,0,0|1,1,0]=4 6961 B11R1.81 CCOc1ccc(nc1C)Br 7a_100012002022_100000210202 [1,1,0,0,0,0|1,1,0]=4 6962 B11R1.81 CCOc1ccc(nc1C)C 34a_100011218912_100000210202 [1,1,0,0,0,0|2,0,0]=4 6963 B11R1.81 CCOc1ccc(nc1C)C 7a_100011218912_100000210202 [1,1,0,0,0,0|2,0,0]=4 6964 B11R1.81 CCOc1ccc(nc1C)Cl 34a_100012184626_100000210202 [1,1,0,0,0,0|1,0,0]=3 6965 B11R1.81 CCOc1ccc(nc1C)Cl 7a_100012184626_100000210202 [1,1,0,0,0,0|1,0,0]=3 6966 B11R1.81 CCOc1ccc(nc1C)F 34a_100009881036_100000210202 [1,1,0,0,0,0|1,1,0]=4 6967 B11R1.81 CCOc1ccc(nc1C)F 7a_100009881036_100000210202 [1,1,0,0,0,0|1,1,0]=4 6968 B11R1.81 CCOc1ccc(nc1C)I 34a_100010233687_100000210202 [1,1,0,0,0,0|1,1,0]=4 6969 B11R1.81 CCOc1ccc(nc1C)I 7a_100010233687_100000210202 [1,1,0,0,0,0|1,1,0]=4 6970 B11R1.81 CCOc1ccc(nc1Cl)Br 34a_100010246206_100000210202 [1,1,0,0,0,0|1,1,0]=4 6971 B11R1.81 CCOc1ccc(nc1Cl)Br 7a_100010246206_100000210202 [1,1,0,0,0,0|1,1,0]=4 6972 B11R1.81 CCOc1ccc(nc1Cl)C 34a_100000086286_100000210202 [1,1,0,0,0,0|2,0,0]=4 6973 B11R1.81 CCOc1ccc(nc1Cl)C 7a_100000086286_100000210202 [1,1,0,0,0,0|2,0,0]=4 6974 B11R1.81 CCOc1ccc(nc1Cl)Cl 34a_100000101165_100000210202 [1,1,0,0,0,0|1,0,0]=3 6975 B11R1.81 CCOc1ccc(nc1Cl)Cl 7a_100000101165_100000210202 [1,1,0,0,0,0|1,0,0]=3 6976 B11R1.81 CCOc1ccc(nc1Cl)I 34a_100000721234_100000210202 [1,1,0,0,0,0|1,1,0]=4 6977 B11R1.81 CCOc1ccc(nc1Cl)I 7a_100000721234_100000210202 [1,1,0,0,0,0|1,1,0]=4 6978 B11R1.81 CCOc1ccc(nc1F)Br 34a_100009819667_100000210202 [1,1,0,0,0,0|1,1,0]=4 6979 B11R1.81 CCOc1ccc(nc1F)Br 7a_100009819667_100000210202 [1,1,0,0,0,0|1,1,0]=4 6980 B11R1.81 CCOc1ccc(nc1F)C 34a_100000079963_100000210202 [1,1,0,0,0,0|2,0,0]=4 6981 B11R1.81 CCOc1ccc(nc1F)C 7a_100000079963_100000210202 [1,1,0,0,0,0|2,0,0]=4 6982 B11R1.81 CCOc1ccc(nc1F)Cl 34a_100009880201_100000210202 [1,1,0,0,0,0|1,0,0]=3 6983 B11R1.81 CCOc1ccc(nc1F)Cl 7a_100009880201_100000210202 [1,1,0,0,0,0|1,0,0]=3 6984 B11R1.81 CCOc1ccc(nc1F)F 34a_100000101184_100000210202 [1,1,0,0,0,0|1,1,0]=4 6985 B11R1.81 CCOc1ccc(nc1F)F 7a_100000101184_100000210202 [1,1,0,0,0,0|1,1,0]=4 6986 B11R1.81 CCOc1ccc(nc1I)Br 34a_100010253912_100000210202 [1,1,0,0,0,0|1,1,0]=4 6987 B11R1.81 CCOc1ccc(nc1I)Br 7a_100010253912_100000210202 [1,1,0,0,0,0|1,1,0]=4 6988 B11R1.81 CCOc1ccc(nc1I)C 34a_100000023897_100000210202 [1,1,0,0,0,0|2,0,0]=4 6989 B11R1.81 CCOc1ccc(nc1I)C 7a_100000023897_100000210202 [1,1,0,0,0,0|2,0,0]=4 6990 B11R1.81 CCOc1ccc(nc1I)Cl 34a_100000696390_100000210202 [1,1,0,0,0,0|1,0,0]=3 6991 B11R1.81 CCOc1ccc(nc1I)Cl 7a_100000696390_100000210202 [1,1,0,0,0,0|1,0,0]=3 6992 B11R1.81 CCOc1ccc(nc1I)F 34a_100010382442_100000210202 [1,1,0,0,0,0|1,1,0]=4 6993 B11R1.81 CCOc1ccc(nc1I)F 7a_100010382442_100000210202 [1,1,0,0,0,0|1,1,0]=4 6994 B11R1.81 CCOc1ccc(nc1N)Br 34a_100000685527_100000210202 [1,1,0,0,0,0|1,1,0]=4 6995 B11R1.81 CCOc1ccc(nc1N)Br 7a_100000685527_100000210202 [1,1,0,0,0,0|1,1,0]=4 6996 B11R1.81 CCOc1ccc(nc1N)C 34a_100000694039_100000210202 [1,1,0,0,0,0|2,0,0]=4 6997 B11R1.81 CCOc1ccc(nc1N)C 7a_100000694039_100000210202 [1,1,0,0,0,0|2,0,0]=4 6998 B11R1.81 CCOc1ccc(nc1N)Cl 34a_100000717809_100000210202 [1,1,0,0,0,0|1,0,0]=3 6999 B11R1.81 CCOc1ccc(nc1N)Cl 7a_100000717809_100000210202 [1,1,0,0,0,0|1,0,0]=3 7000 B11R1.81 CCOc1cnc(cc1Br)C 34a_100009843476_100000210202 [1,1,0,0,0,0|2,0,0]=4 7001 B11R1.81 CCOc1cnc(cc1Br)C 7a_100009843476_100000210202 [1,1,0,0,0,0|2,0,0]=4 7002 B11R1.81 CCOc1cnc(cc1C)C 34a_200000068632_100000210202 [1,1,0,0,0,0|2,0,0]=4 7003 B11R1.81 CCOc1cnc(cc1C)C 7a_200000068632_100000210202 [1,1,0,0,0,0|2,0,0]=4 7004 B11R1.81 CCOc1cnc(cc1C)Cl 34a_100000692680_100000210202 [1,1,0,0,0,0|1,0,0]=3 7005 B11R1.81 CCOc1cnc(cc1C)Cl 7a_100000692680_100000210202 [1,1,0,0,0,0|1,0,0]=3 7006 B11R1.81 CCOc1cnc(cc1C)F 34a_100009856773_100000210202 [1,1,0,0,0,0|1,1,0]=4 7007 B11R1.81 CCOc1cnc(cc1C)F 7a_100009856773_100000210202 [1,1,0,0,0,0|1,1,0]=4 7008 B11R1.81 CCOc1cnc(cc1Cl)Cl 34a_100009868576_100000210202 [1,1,0,0,0,0|1,0,0]=3 7009 B11R1.81 CCOc1cnc(cc1Cl)Cl 7a_100009868576_100000210202 [1,1,0,0,0,0|1,0,0]=3 7010 B11R1.81 CCOc1cnc(cc1F)F 34a_100009885687_100000210202 [1,1,0,0,0,0|1,1,0]=4 7011 B11R1.81 CCOc1cnc(cc1F)F 7a_100009885687_100000210202 [1,1,0,0,0,0|1,1,0]=4 7012 B11R1.81 CCOc1cnc(cc1I)Cl 34a_100000698892_100000210202 [1,1,0,0,0,0|1,0,0]=3 7013 B11R1.81 CCOc1cnc(cc1I)Cl 7a_100000698892_100000210202 [1,1,0,0,0,0|1,0,0]=3 7014 B11R1.81 CCOc1cnc(cc1N)Br 34a_100009819941_100000210202 [1,1,0,0,0,0|1,1,0]=4 7015 B11R1.81 CCOc1cnc(cc1N)Br 7a_100009819941_100000210202 [1,1,0,0,0,0|1,1,0]=4 7016 B11R1.81 CCOc1cnc(nc1Cl)Cl 34a_100010725077_100000210202 [1,1,0,0,0,0|2,0,0]=4 7017 B11R1.81 CCOc1cnc(nc1Cl)Cl 7a_100010725077_100000210202 [1,1,0,0,0,0|2,0,0]=4 7018 B11R1.81 CCOc1coc(cc1=O)C 34a_100000081520_100000210202 [1,1,0,0,0,0|2,0,0]=4 7019 B11R1.81 CCOc1ncc(cc1Br)Br 34a_100000701035_100000210202 [1,1,0,0,0,0|1,1,0]=4 7020 B11R1.81 CCOc1ncc(cc1Br)C 34a_100000719714_100000210202 [1,1,0,0,0,0|2,0,0]=4 7021 B11R1.81 CCOc1ncc(cc1C)Br 34a_100000685391_100000210202 [1,1,0,0,0,0|1,1,0]=4 7022 B11R1.81 CCOc1ncc(cc1C)O 271570a_203496583355_100012351028 [1,1,0,0,0,0|2,0,0]=4 7023 B11R1.81 CCOc1ncc(cc1Cl)Br 34a_100012339560_100000210202 [1,1,0,0,0,0|1,1,0]=4 7024 B11R1.81 CCOc1ncc(cc1Cl)F 34a_100009847679_100000210202 [1,1,0,0,0,0|1,1,0]=4 7025 B11R1.81 CCOc1ncc(cc1F)Cl 34a_100011998252_100000210202 [1,1,0,0,0,0|1,0,0]=3 7026 B11R1.81 CCOc1ncc(cc1F)F 34a_100012025737_100000210202 [1,1,0,0,0,0|1,1,0]=4 7027 B11R1.81 CCOc1ncc(cc1N)Br 34a_100000743729_100000210202 [1,1,0,0,0,0|1,1,0]=4 7028 B11R1.81 CCOc1ncc(cc1N)C 34a_100012000488_100000210202 [1,1,0,0,0,0|2,0,0]=4 7029 B11R1.81 CCOc1ncc(cc1N)Cl 34a_100011998249_100000210202 [1,1,0,0,0,0|1,0,0]=3 7030 B11R1.81 CCOc1ncc(cc1N)O 271570a_203496583355_100011433076 [1,1,0,0,0,0|2,0,0]=4 7031 B11R1.81 CCOc1ncc(cc1O)Br 271570a_203496583355_200010177599 [1,1,0,0,0,0|1,1,0]=4 7032 B11R1.81 CCSc1ccc(cc1Br)Br 62a_100000210202_100011484698 [1,1,0,0,0,0|0,2,0]=4 7033 B11R1.81 CCSc1ccc(cc1Br)Br 62a_100011484698_100000210202 [1,1,0,0,0,0|0,2,0]=4 7034 B11R1.81 CCSc1ccc(cc1Br)C 62a_100000210202_100009813563 [1,1,0,0,0,0|1,1,0]=4 7035 B11R1.81 CCSc1ccc(cc1Br)C 62a_100009813563_100000210202 [1,1,0,0,0,0|1,1,0]=4 7036 B11R1.81 CCSc1ccc(cc1Br)Cl 62a_100000210202_100011219703 [1,1,0,0,0,0|0,1,0]=3 7037 B11R1.81 CCSc1ccc(cc1Br)Cl 62a_100011219703_100000210202 [1,1,0,0,0,0|0,1,0]=3 7038 B11R1.81 CCSc1ccc(cc1Br)F 62a_100000210202_100011217111 [1,1,0,0,0,0|0,2,0]=4 7039 B11R1.81 CCSc1ccc(cc1Br)F 62a_100011217111_100000210202 [1,1,0,0,0,0|0,2,0]=4 7040 B11R1.81 CCSc1ccc(cc1Br)N 62a_100000210202_100000750458 [1,1,0,0,0,0|1,1,0]=4 7041 B11R1.81 CCSc1ccc(cc1Br)N 62a_100000750458_100000210202 [1,1,0,0,0,0|1,1,0]=4 7042 B11R1.81 CCSc1ccc(cc1Br)O 62a_100000210202_100000701344 [1,1,0,0,0,0|1,1,0]=4 7043 B11R1.81 CCSc1ccc(cc1Br)O 62a_100000701344_100000210202 [1,1,0,0,0,0|1,1,0]=4 7044 B11R1.81 CCSc1ccc(cc1C)Br 62a_100000210202_100000701812 [1,1,0,0,0,0|0,2,0]=4 7045 B11R1.81 CCSc1ccc(cc1C)Br 62a_100000701812_100000210202 [1,1,0,0,0,0|0,2,0]=4 7046 B11R1.81 CCSc1ccc(cc1C)C 62a_100000210202_100011217332 [1,1,0,0,0,0|1,1,0]=4 7047 B11R1.81 CCSc1ccc(cc1C)C 62a_100011217332_100000210202 [1,1,0,0,0,0|1,1,0]=4 7048 B11R1.81 CCSc1ccc(cc1C)Cl 62a_100000210202_100011219607 [1,1,0,0,0,0|0,1,0]=3 7049 B11R1.81 CCSc1ccc(cc1C)Cl 62a_100011219607_100000210202 [1,1,0,0,0,0|0,1,0]=3 7050 B11R1.81 CCSc1ccc(cc1C)F 62a_100000210202_100011205405 [1,1,0,0,0,0|0,2,0]=4 7051 B11R1.81 CCSc1ccc(cc1C)F 62a_100011205405_100000210202 [1,1,0,0,0,0|0,2,0]=4 7052 B11R1.81 CCSc1ccc(cc1C)N 62a_100000210202_100000210723 [1,1,0,0,0,0|1,1,0]=4 7053 B11R1.81 CCSc1ccc(cc1C)N 62a_100000210723_100000210202 [1,1,0,0,0,0|1,1,0]=4 7054 B11R1.81 CCSc1ccc(cc1C)O 62a_100000210202_100000690111 [1,1,0,0,0,0|1,1,0]=4 7055 B11R1.81 CCSc1ccc(cc1Cl)Br 62a_100000210202_100011216062 [1,1,0,0,0,0|0,2,0]=4 7056 B11R1.81 CCSc1ccc(cc1Cl)Br 62a_100011216062_100000210202 [1,1,0,0,0,0|0,2,0]=4 7057 B11R1.81 CCSc1ccc(cc1Cl)C 62a_100000210202_100011263221 [1,1,0,0,0,0|1,1,0]=4 7058 B11R1.81 CCSc1ccc(cc1Cl)C 62a_100011263221_100000210202 [1,1,0,0,0,0|1,1,0]=4 7059 B11R1.81 CCSc1ccc(cc1Cl)Cl 62a_100000210202_100000699841 [1,1,0,0,0,0|0,1,0]=3 7060 B11R1.81 CCSc1ccc(cc1Cl)Cl 62a_100000699841_100000210202 [1,1,0,0,0,0|0,1,0]=3 7061 B11R1.81 CCSc1ccc(cc1Cl)F 62a_100000210202_100000733362 [1,1,0,0,0,0|0,2,0]=4 7062 B11R1.81 CCSc1ccc(cc1Cl)F 62a_100000733362_100000210202 [1,1,0,0,0,0|0,2,0]=4 7063 B11R1.81 CCSc1ccc(cc1Cl)N 62a_100000210202_100000761885 [1,1,0,0,0,0|1,1,0]=4 7064 B11R1.81 CCSc1ccc(cc1Cl)N 62a_100000761885_100000210202 [1,1,0,0,0,0|1,1,0]=4 7065 B11R1.81 CCSc1ccc(cc1Cl)O 62a_100000047559_100000210202 [1,1,0,0,0,0|1,1,0]=4 7066 B11R1.81 CCSc1ccc(cc1Cl)O 62a_100000210202_100000047559 [1,1,0,0,0,0|1,1,0]=4 7067 B11R1.81 CCSc1ccc(cc1F)Br 62a_100000210202_100009814013 [1,1,0,0,0,0|0,2,0]=4 7068 B11R1.81 CCSc1ccc(cc1F)Br 62a_100009814013_100000210202 [1,1,0,0,0,0|0,2,0]=4 7069 B11R1.81 CCSc1ccc(cc1F)C 62a_100000210202_100011216119 [1,1,0,0,0,0|1,1,0]=4 7070 B11R1.81 CCSc1ccc(cc1F)C 62a_100011216119_100000210202 [1,1,0,0,0,0|1,1,0]=4 7071 B11R1.81 CCSc1ccc(cc1F)Cl 62a_100000210202_100011216042 [1,1,0,0,0,0|0,1,0]=3 7072 B11R1.81 CCSc1ccc(cc1F)Cl 62a_100011216042_100000210202 [1,1,0,0,0,0|0,1,0]=3 7073 B11R1.81 CCSc1ccc(cc1F)F 62a_100000210202_100000750030 [1,1,0,0,0,0|0,2,0]=4 7074 B11R1.81 CCSc1ccc(cc1F)F 62a_100000750030_100000210202 [1,1,0,0,0,0|0,2,0]=4 7075 B11R1.81 CCSc1ccc(cc1F)N 62a_100000210202_100011356925 [1,1,0,0,0,0|1,1,0]=4 7076 B11R1.81 CCSc1ccc(cc1F)N 62a_100011356925_100000210202 [1,1,0,0,0,0|1,1,0]=4 7077 B11R1.81 CCSc1ccc(cc1F)O 62a_100000210202_100000755031 [1,1,0,0,0,0|1,1,0]=4 7078 B11R1.81 CCSc1ccc(cc1F)O 62a_100000755031_100000210202 [1,1,0,0,0,0|1,1,0]=4 7079 B11R1.81 CCSc1ccc(cc1N)Br 62a_100000210202_100000743836 [1,1,0,0,0,0|0,2,0]=4 7080 B11R1.81 CCSc1ccc(cc1N)Br 62a_100000743836_100000210202 [1,1,0,0,0,0|0,2,0]=4 7081 B11R1.81 CCSc1ccc(cc1N)C 62a_100000210202_100011216686 [1,1,0,0,0,0|1,1,0]=4 7082 B11R1.81 CCSc1ccc(cc1N)C 62a_100011216686_100000210202 [1,1,0,0,0,0|1,1,0]=4 7083 B11R1.81 CCSc1ccc(cc1N)Cl 62a_100000210202_100000761886 [1,1,0,0,0,0|0,1,0]=3 7084 B11R1.81 CCSc1ccc(cc1N)Cl 62a_100000761886_100000210202 [1,1,0,0,0,0|0,1,0]=3 7085 B11R1.81 CCSc1ccc(cc1N)F 62a_100000210202_100000687223 [1,1,0,0,0,0|0,2,0]=4 7086 B11R1.81 CCSc1ccc(cc1N)F 62a_100000687223_100000210202 [1,1,0,0,0,0|0,2,0]=4 7087 B11R1.81 CCSc1ccc(cc1N)N 62a_100000210202_200012175722 [1,1,0,0,0,0|1,1,0]=4 7088 B11R1.81 CCSc1ccc(cc1N)N 62a_200012175722_100000210202 [1,1,0,0,0,0|1,1,0]=4 7089 B11R1.81 CCSc1ccc(cc1N)O 62a_100000210202_100011999798 [1,1,0,0,0,0|1,1,0]=4 7090 B11R1.81 CCSc1ccc(cc1N)O 62a_100011999798_100000210202 [1,1,0,0,0,0|1,1,0]=4 7091 B11R1.81 CCSc1ccc(cc1O)Br 62a_100000210202_100012344904 [1,1,0,0,0,0|0,2,0]=4 7092 B11R1.81 CCSc1ccc(cc1O)Br 62a_100012344904_100000210202 [1,1,0,0,0,0|0,2,0]=4 7093 B11R1.81 CCSc1ccc(cc1O)C 62a_100000210202_100012002257 [1,1,0,0,0,0|1,1,0]=4 7094 B11R1.81 CCSc1ccc(cc1O)C 62a_100012002257_100000210202 [1,1,0,0,0,0|1,1,0]=4 7095 B11R1.81 CCSc1ccc(cc1O)Cl 62a_100000050036_100000210202 [1,1,0,0,0,0|0,1,0]=3 7096 B11R1.81 CCSc1ccc(cc1O)Cl 62a_100000210202_100000050036 [1,1,0,0,0,0|0,1,0]=3 7097 B11R1.81 CCSc1ccc(cc1O)F 62a_100000210202_100000690578 [1,1,0,0,0,0|0,2,0]=4 7098 B11R1.81 CCSc1ccc(cc1O)F 62a_100000690578_100000210202 [1,1,0,0,0,0|0,2,0]=4 7099 B11R1.81 CCSc1ccc(cc1O)O 62a_100000210202_100009813921 [1,1,0,0,0,0|1,1,0]=4 7100 B11R1.81 CCSc1ccc(nc1C)Cl 62a_100000062408_100000210202 [1,1,0,0,0,0|1,1,0]=4 7101 B11R1.81 CCSc1ccc(nc1C)Cl 62a_100000210202_100000062408 [1,1,0,0,0,0|1,1,0]=4 7102 B11R1.81 CCSc1ccc(nc1Cl)Cl 62a_100000210202_100000043682 [1,1,0,0,0,0|1,1,0]=4 7103 B11R1.81 CCSc1ccc(nc1F)Cl 62a_100000210202_100010168078 [1,1,0,0,0,0|1,1,0]=4 7104 B11R1.81 CCSc1ccc(nc1F)Cl 62a_100010168078_100000210202 [1,1,0,0,0,0|1,1,0]=4 7105 B11R1.81 CCSc1ccc(nc1N)Cl 62a_100000210202_100010171640 [1,1,0,0,0,0|1,1,0]=4 7106 B11R1.81 CCSc1ccc(nc1N)Cl 62a_100010171640_100000210202 [1,1,0,0,0,0|1,1,0]=4 7107 B11R1.81 CCSc1cnc(cc1C)Cl 62a_100000210202_100010172789 [1,1,0,0,0,0|1,1,0]=4 7108 B11R1.81 CCSc1cnc(cc1C)Cl 62a_100010172789_100000210202 [1,1,0,0,0,0|1,1,0]=4 7109 B11R1.81 CCSc1cnc(cc1Cl)Cl 62a_100000210202_100010200927 [1,1,0,0,0,0|1,1,0]=4 7110 B11R1.81 CCSc1cnc(cc1Cl)Cl 62a_100010200927_100000210202 [1,1,0,0,0,0|1,1,0]=4 7111 B11R1.81 CCSc1cnc(cc1F)Cl 62a_100000210202_100010128100 [1,1,0,0,0,0|1,1,0]=4 7112 B11R1.81 CCSc1cnc(cc1F)Cl 62a_100010128100_100000210202 [1,1,0,0,0,0|1,1,0]=4 7113 B11R1.81 CCSc1cnc(cc1N)Cl 62a_100000210202_100010209552 [1,1,0,0,0,0|1,1,0]=4 7114 B11R1.81 CCSc1cnc(cc1N)Cl 62a_100010209552_100000210202 [1,1,0,0,0,0|1,1,0]=4 7115 B11R1.81 CCSc1ncc(cc1Br)Cl 62a_100000210202_100012154958 [1,1,0,0,0,0|1,1,0]=4 7116 B11R1.81 CCSc1ncc(cc1Br)Cl 62a_100012154958_100000210202 [1,1,0,0,0,0|1,1,0]=4 7117 B11R1.81 CCSc1ncc(cc1F)Cl 62a_100000210202_100012348686 [1,1,0,0,0,0|1,1,0]=4 7118 B11R1.81 CCSc1ncc(cc1F)Cl 62a_100012348686_100000210202 [1,1,0,0,0,0|1,1,0]=4 7119 B11R1.81 CCSc1ncc(cc1O)Cl 62a_100000210202_100010233512 [1,1,0,0,0,0|1,1,0]=4 7120 B11R1.81 CCSc1ncc(cc1O)Cl 62a_100010233512_100000210202 [1,1,0,0,0,0|1,1,0]=4 7121 B11R1.81 CNCc1ccc(cc1Br)Cl 207a_100102657272_100000687667 [1,1,0,0,0,0|2,0,0]=4 7122 B11R1.81 CNCc1ccc(cc1Br)Cl 2230a_106832991635_100000755608 [1,1,0,0,0,0|2,0,0]=4 7123 B11R1.81 CNCc1ccc(cc1Br)Cl 26a_100102657272_100000211998 [1,1,0,0,0,0|2,0,0]=4 7124 B11R1.81 CNCc1ccc(cc1Br)Cl 270004a_106832991635_100000687667 [1,1,0,0,0,0|2,0,0]=4 7125 B11R1.81 CNCc1ccc(cc1Br)Cl 34a_100102657272_100000755608 [1,1,0,0,0,0|2,0,0]=4 7126 B11R1.81 CNCc1ccc(cc1Br)Cl 34a_100102692131_200000210301 [1,1,0,0,0,0|2,0,0]=4 7127 B11R1.81 CNCc1ccc(cc1Br)Cl 7a_106832991635_100000755608 [1,1,0,0,0,0|2,0,0]=4 7128 B11R1.81 CNCc1ccc(cc1C)Cl 207a_100102657272_100000766358 [1,1,0,0,0,0|2,0,0]=4 7129 B11R1.81 CNCc1ccc(cc1C)Cl 2230a_106832991635_100012361307 [1,1,0,0,0,0|2,0,0]=4 7130 B11R1.81 CNCc1ccc(cc1C)Cl 270004a_106832991635_100000766358 [1,1,0,0,0,0|2,0,0]=4 7131 B11R1.81 CNCc1ccc(cc1C)Cl 34a_100102657272_100012361307 [1,1,0,0,0,0|2,0,0]=4 7132 B11R1.81 CNCc1ccc(cc1C)Cl 34a_103436540063_200000210301 [1,1,0,0,0,0|2,0,0]=4 7133 B11R1.81 CNCc1ccc(cc1C)Cl 7a_106832991635_100012361307 [1,1,0,0,0,0|2,0,0]=4 7134 B11R1.81 CNCc1ccc(cc1Cl)Cl 207a_100102657272_100000188887 [1,1,0,0,0,0|2,0,0]=4 7135 B11R1.81 CNCc1ccc(cc1Cl)Cl 2230a_106832991635_100000188473 [1,1,0,0,0,0|2,0,0]=4 7136 B11R1.81 CNCc1ccc(cc1Cl)Cl 26a_100102657272_100015191787 [1,1,0,0,0,0|2,0,0]=4 7137 B11R1.81 CNCc1ccc(cc1Cl)Cl 270004a_106832991635_100000188887 [1,1,0,0,0,0|2,0,0]=4 7138 B11R1.81 CNCc1ccc(cc1Cl)Cl 34a_100000174880_200000210301 [1,1,0,0,0,0|2,0,0]=4 7139 B11R1.81 CNCc1ccc(cc1Cl)Cl 34a_100102657272_100000188473 [1,1,0,0,0,0|2,0,0]=4 7140 B11R1.81 CNCc1ccc(cc1Cl)Cl 7a_106832991635_100000188473 [1,1,0,0,0,0|2,0,0]=4 7141 B11R1.81 CNCc1ccc(cc1F)Cl 207a_100102657272_100000697372 [1,1,0,0,0,0|2,0,0]=4 7142 B11R1.81 CNCc1ccc(cc1F)Cl 2230a_106832991635_100000709361 [1,1,0,0,0,0|2,0,0]=4 7143 B11R1.81 CNCc1ccc(cc1F)Cl 270004a_106832991635_100000697372 [1,1,0,0,0,0|2,0,0]=4 7144 B11R1.81 CNCc1ccc(cc1F)Cl 34a_100000708496_200000210301 [1,1,0,0,0,0|2,0,0]=4 7145 B11R1.81 CNCc1ccc(cc1F)Cl 34a_100102657272_100000709361 [1,1,0,0,0,0|2,0,0]=4 7146 B11R1.81 CNCc1ccc(cc1F)Cl 7a_106832991635_100000709361 [1,1,0,0,0,0|2,0,0]=4 7147 B11R1.81 CNCc1ccc(cc1I)Cl 2230a_106832991635_100010254388 [1,1,0,0,0,0|2,0,0]=4 7148 B11R1.81 CNCc1ccc(cc1I)Cl 34a_100102657272_100010254388 [1,1,0,0,0,0|2,0,0]=4 7149 B11R1.81 CNCc1ccc(cc1I)Cl 7a_106832991635_100010254388 [1,1,0,0,0,0|2,0,0]=4 7150 B11R1.81 COCc1ccc(cc1Br)Cl 34a_100000707881_200000210301 [1,1,0,0,0,0|2,0,0]=4 7151 B11R1.81 COCc1ccc(cc1Br)Cl 34a_100138415774_100000755608 [1,1,0,0,0,0|2,0,0]=4 7152 B11R1.81 COCc1ccc(cc1Br)Cl 7a_100000707881_200000210301 [1,1,0,0,0,0|2,0,0]=4 7153 B11R1.81 COCc1ccc(cc1C)Cl 34a_100000702939_200000210301 [1,1,0,0,0,0|2,0,0]=4 7154 B11R1.81 COCc1ccc(cc1C)Cl 34a_100138415774_100012361307 [1,1,0,0,0,0|2,0,0]=4 7155 B11R1.81 COCc1ccc(cc1C)Cl 7a_100000702939_200000210301 [1,1,0,0,0,0|2,0,0]=4 7156 B11R1.81 COCc1ccc(cc1Cl)Cl 34a_100000215721_200000210301 [1,1,0,0,0,0|2,0,0]=4 7157 B11R1.81 COCc1ccc(cc1Cl)Cl 34a_100138415774_100000188473 [1,1,0,0,0,0|2,0,0]=4 7158 B11R1.81 COCc1ccc(cc1Cl)Cl 7a_100000215721_200000210301 [1,1,0,0,0,0|2,0,0]=4 7159 B11R1.81 COCc1ccc(cc1F)Cl 34a_100011217562_200000210301 [1,1,0,0,0,0|2,0,0]=4 7160 B11R1.81 COCc1ccc(cc1F)Cl 34a_100138415774_100000709361 [1,1,0,0,0,0|2,0,0]=4 7161 B11R1.81 COCc1ccc(cc1F)Cl 7a_100011217562_200000210301 [1,1,0,0,0,0|2,0,0]=4 7162 B11R1.81 COCc1ccc(cc1I)Cl 34a_100000722340_200000210301 [1,1,0,0,0,0|2,0,0]=4 7163 B11R1.81 COCc1ccc(cc1I)Cl 34a_100138415774_100010254388 [1,1,0,0,0,0|2,0,0]=4 7164 B11R1.81 COCc1ccc(cc1I)Cl 7a_100000722340_200000210301 [1,1,0,0,0,0|2,0,0]=4 7165 B11R1.81 COCc1ccc(cc1N)Cl 34a_100000238622_200000210301 [1,1,0,0,0,0|2,0,0]=4 7166 B11R1.81 COCc1ccc(cc1N)Cl 7a_100000238622_200000210301 [1,1,0,0,0,0|2,0,0]=4 7167 B11R1.81 CSCc1ccc(cc1Br)Cl 62a_100000755608_200000210301 [1,1,0,0,0,0|2,0,0]=4 7168 B11R1.81 CSCc1ccc(cc1Br)Cl 62a_200000210301_100000755608 [1,1,0,0,0,0|2,0,0]=4 7169 B11R1.81 CSCc1ccc(cc1C)Cl 62a_100012361307_200000210301 [1,1,0,0,0,0|2,0,0]=4 7170 B11R1.81 CSCc1ccc(cc1C)Cl 62a_200000210301_100012361307 [1,1,0,0,0,0|2,0,0]=4 7171 B11R1.81 CSCc1ccc(cc1Cl)Cl 62a_100000188473_200000210301 [1,1,0,0,0,0|2,0,0]=4 7172 B11R1.81 CSCc1ccc(cc1Cl)Cl 62a_200000210301_100000188473 [1,1,0,0,0,0|2,0,0]=4 7173 B11R1.81 CSCc1ccc(cc1F)Cl 62a_100000709361_200000210301 [1,1,0,0,0,0|2,0,0]=4 7174 B11R1.81 CSCc1ccc(cc1F)Cl 62a_200000210301_100000709361 [1,1,0,0,0,0|2,0,0]=4 7175 B11R1.81 CSCc1ccc(cc1I)Cl 62a_100010254388_200000210301 [1,1,0,0,0,0|2,0,0]=4 7176 B11R1.81 CSCc1ccc(cc1I)Cl 62a_200000210301_100010254388 [1,1,0,0,0,0|2,0,0]=4 7177 B11R1.81 Cc1cc(ccc1CN[13CH3])Cl 34a_103436540063_200025704644 [1,1,0,0,0,0|2,0,0]=4 7178 B11R1.81 Cc1cc(ccc1CO[13CH3])Cl 34a_100000702939_200025704644 [1,1,0,0,0,0|2,0,0]=4 7179 B11R1.81 Cc1cc(ccc1CO[13CH3])Cl 7a_100000702939_200025704644 [1,1,0,0,0,0|2,0,0]=4 7180 B11R1.81 Cc1cc(ccc1CS[13CH3])Cl 62a_100012361307_200025704644 [1,1,0,0,0,0|2,0,0]=4 7181 B11R1.81 Cc1cc(ccc1CS[13CH3])Cl 62a_200025704644_100012361307 [1,1,0,0,0,0|2,0,0]=4 7182 B11R1.81 Cc1cc(ccc1NCF)Cl 34a_100000210418_100015361967 [1,1,0,0,0,0|2,0,0]=4 7183 B11R1.81 Cc1cc(ccc1NCF)Cl 7a_100000210418_100015361967 [1,1,0,0,0,0|2,0,0]=4 7184 B11R1.81 Cc1cc(ccc1OCF)Br 34a_100000186361_100015361967 [1,1,0,0,0,0|1,1,0]=4 7185 B11R1.81 Cc1cc(ccc1OCF)Br 7a_100000186361_100015361967 [1,1,0,0,0,0|1,1,0]=4 7186 B11R1.81 Cc1cc(ccc1OCF)Cl 34a_100000211091_100015361967 [1,1,0,0,0,0|1,0,0]=3 7187 B11R1.81 Cc1cc(ccc1OCF)Cl 7a_100000211091_100015361967 [1,1,0,0,0,0|1,0,0]=3 7188 B11R1.81 Cc1cc(ccc1OCF)F 34a_100000764316_100015361967 [1,1,0,0,0,0|1,1,0]=4 7189 B11R1.81 Cc1cc(ccc1OCF)F 7a_100000764316_100015361967 [1,1,0,0,0,0|1,1,0]=4 7190 B11R1.81 Cc1cc(ccc1OCF)I 34a_100011218673_100015361967 [1,1,0,0,0,0|1,1,0]=4 7191 B11R1.81 Cc1cc(ccc1OCF)I 7a_100011218673_100015361967 [1,1,0,0,0,0|1,1,0]=4 7192 B11R1.81 Cc1cc(ccc1OCF)N 34a_100011218179_100015361967 [1,1,0,0,0,0|2,0,0]=4 7193 B11R1.81 Cc1cc(ccc1OCF)N 7a_100011218179_100015361967 [1,1,0,0,0,0|2,0,0]=4 7194 B11R1.81 Cc1cc(ccc1SCF)Cl 62a_100011219607_100015361967 [1,1,0,0,0,0|1,1,0]=4 7195 B11R1.81 Cc1cc(ccc1SCF)Cl 62a_100015361967_100011219607 [1,1,0,0,0,0|1,1,0]=4 7196 B11R1.81 Cc1cc(ncc1OCF)Cl 34a_100000692680_100015361967 [1,1,0,0,0,0|2,0,0]=4 7197 B11R1.81 Cc1cc(ncc1OCF)Cl 7a_100000692680_100015361967 [1,1,0,0,0,0|2,0,0]=4 7198 B11R1.81 Cc1ccc(c(c1)Br)OCF 34a_100000210800_100015361967 [1,1,0,0,0,0|2,0,0]=4 7199 B11R1.81 Cc1ccc(c(c1)Br)OCF 7a_100000210800_100015361967 [1,1,0,0,0,0|2,0,0]=4 7200 B11R1.81 Cc1ccc(c(c1)C)OCF 34a_100000211776_100015361967 [1,1,0,0,0,0|2,0,0]=4 7201 B11R1.81 Cc1ccc(c(c1)C)OCF 7a_100000211776_100015361967 [1,1,0,0,0,0|2,0,0]=4 7202 B11R1.81 Cc1ccc(c(c1)Cl)OCF 34a_100000749699_100015361967 [1,1,0,0,0,0|2,0,0]=4 7203 B11R1.81 Cc1ccc(c(c1)Cl)OCF 7a_100000749699_100015361967 [1,1,0,0,0,0|2,0,0]=4 7204 B11R1.81 Cc1ccc(c(c1)F)OCF 34a_100011216688_100015361967 [1,1,0,0,0,0|2,0,0]=4 7205 B11R1.81 Cc1ccc(c(c1)F)OCF 7a_100011216688_100015361967 [1,1,0,0,0,0|2,0,0]=4 7206 B11R1.81 Cc1ccc(c(c1)I)OCF 34a_100000765521_100015361967 [1,1,0,0,0,0|2,0,0]=4 7207 B11R1.81 Cc1ccc(c(c1)I)OCF 7a_100000765521_100015361967 [1,1,0,0,0,0|2,0,0]=4 7208 B11R1.81 Cc1ccc(c(c1)N)OCF 34a_100011215204_100015361967 [1,1,0,0,0,0|2,0,0]=4 7209 B11R1.81 Cc1ccc(c(c1)N)OCF 7a_100011215204_100015361967 [1,1,0,0,0,0|2,0,0]=4 7210 B11R1.81 Cc1nc(ccc1OCF)Cl 34a_100012184626_100015361967 [1,1,0,0,0,0|2,0,0]=4 7211 B11R1.81 Cc1nc(ccc1OCF)Cl 7a_100012184626_100015361967 [1,1,0,0,0,0|2,0,0]=4 7212 B11R1.81 FCNc1ccc(cc1Br)Cl 34a_100000752454_100015361967 [1,1,0,0,0,0|2,0,0]=4 7213 B11R1.81 FCNc1ccc(cc1Cl)Cl 34a_100000185861_100015361967 [1,1,0,0,0,0|2,0,0]=4 7214 B11R1.81 FCNc1ccc(cc1F)Cl 34a_100000211020_100015361967 [1,1,0,0,0,0|2,0,0]=4 7215 B11R1.81 FCNc1ccc(cc1I)Cl 34a_100000761889_100015361967 [1,1,0,0,0,0|2,0,0]=4 7216 B11R1.81 FCOc1ccc(cc1Br)Br 34a_100000188717_100015361967 [1,1,0,0,0,0|1,1,0]=4 7217 B11R1.81 FCOc1ccc(cc1Br)Br 7a_100000188717_100015361967 [1,1,0,0,0,0|1,1,0]=4 7218 B11R1.81 FCOc1ccc(cc1Br)Cl 34a_100000211998_100015361967 [1,1,0,0,0,0|1,0,0]=3 7219 B11R1.81 FCOc1ccc(cc1Br)Cl 7a_100000211998_100015361967 [1,1,0,0,0,0|1,0,0]=3 7220 B11R1.81 FCOc1ccc(cc1Br)F 34a_100000211999_100015361967 [1,1,0,0,0,0|1,1,0]=4 7221 B11R1.81 FCOc1ccc(cc1Br)F 7a_100000211999_100015361967 [1,1,0,0,0,0|1,1,0]=4 7222 B11R1.81 FCOc1ccc(cc1Br)I 34a_100012361655_100015361967 [1,1,0,0,0,0|1,1,0]=4 7223 B11R1.81 FCOc1ccc(cc1Br)I 7a_100012361655_100015361967 [1,1,0,0,0,0|1,1,0]=4 7224 B11R1.81 FCOc1ccc(cc1Cl)Br 34a_100000186472_100015361967 [1,1,0,0,0,0|1,1,0]=4 7225 B11R1.81 FCOc1ccc(cc1Cl)Br 7a_100000186472_100015361967 [1,1,0,0,0,0|1,1,0]=4 7226 B11R1.81 FCOc1ccc(cc1Cl)Cl 34a_100015191787_100015361967 [1,1,0,0,0,0|1,0,0]=3 7227 B11R1.81 FCOc1ccc(cc1Cl)Cl 7a_100015191787_100015361967 [1,1,0,0,0,0|1,0,0]=3 7228 B11R1.81 FCOc1ccc(cc1Cl)F 34a_100000212004_100015361967 [1,1,0,0,0,0|1,1,0]=4 7229 B11R1.81 FCOc1ccc(cc1Cl)F 7a_100000212004_100015361967 [1,1,0,0,0,0|1,1,0]=4 7230 B11R1.81 FCOc1ccc(cc1Cl)I 34a_100012360047_100015361967 [1,1,0,0,0,0|1,1,0]=4 7231 B11R1.81 FCOc1ccc(cc1Cl)I 7a_100012360047_100015361967 [1,1,0,0,0,0|1,1,0]=4 7232 B11R1.81 FCOc1ccc(cc1F)Br 34a_100000185481_100015361967 [1,1,0,0,0,0|1,1,0]=4 7233 B11R1.81 FCOc1ccc(cc1F)Br 7a_100000185481_100015361967 [1,1,0,0,0,0|1,1,0]=4 7234 B11R1.81 FCOc1ccc(cc1F)Cl 34a_100000230166_100015361967 [1,1,0,0,0,0|1,0,0]=3 7235 B11R1.81 FCOc1ccc(cc1F)Cl 7a_100000230166_100015361967 [1,1,0,0,0,0|1,0,0]=3 7236 B11R1.81 FCOc1ccc(cc1F)F 34a_100000230127_100015361967 [1,1,0,0,0,0|1,1,0]=4 7237 B11R1.81 FCOc1ccc(cc1F)F 7a_100000230127_100015361967 [1,1,0,0,0,0|1,1,0]=4 7238 B11R1.81 FCOc1ccc(cc1F)I 34a_100011356965_100015361967 [1,1,0,0,0,0|1,1,0]=4 7239 B11R1.81 FCOc1ccc(cc1F)I 7a_100011356965_100015361967 [1,1,0,0,0,0|1,1,0]=4 7240 B11R1.81 FCOc1ccc(cc1I)Br 34a_100012355227_100015361967 [1,1,0,0,0,0|1,1,0]=4 7241 B11R1.81 FCOc1ccc(cc1I)Br 7a_100012355227_100015361967 [1,1,0,0,0,0|1,1,0]=4 7242 B11R1.81 FCOc1ccc(cc1I)Cl 34a_100011356953_100015361967 [1,1,0,0,0,0|1,0,0]=3 7243 B11R1.81 FCOc1ccc(cc1I)Cl 7a_100011356953_100015361967 [1,1,0,0,0,0|1,0,0]=3 7244 B11R1.81 FCOc1ccc(cc1I)F 34a_100012355409_100015361967 [1,1,0,0,0,0|1,1,0]=4 7245 B11R1.81 FCOc1ccc(cc1I)F 7a_100012355409_100015361967 [1,1,0,0,0,0|1,1,0]=4 7246 B11R1.81 FCOc1ccc(cc1I)I 7a_100010001573_100015361967 [1,1,0,0,0,0|1,1,0]=4 7247 B11R1.81 FCOc1ccc(nc1Br)Cl 34a_100010219353_100015361967 [1,1,0,0,0,0|2,0,0]=4 7248 B11R1.81 FCOc1ccc(nc1Br)Cl 7a_100010219353_100015361967 [1,1,0,0,0,0|2,0,0]=4 7249 B11R1.81 FCOc1ccc(nc1Cl)Cl 34a_100000101165_100015361967 [1,1,0,0,0,0|2,0,0]=4 7250 B11R1.81 FCOc1ccc(nc1Cl)Cl 7a_100000101165_100015361967 [1,1,0,0,0,0|2,0,0]=4 7251 B11R1.81 FCOc1ccc(nc1F)Cl 34a_100009880201_100015361967 [1,1,0,0,0,0|2,0,0]=4 7252 B11R1.81 FCOc1ccc(nc1F)Cl 7a_100009880201_100015361967 [1,1,0,0,0,0|2,0,0]=4 7253 B11R1.81 FCOc1ccc(nc1I)Cl 34a_100000696390_100015361967 [1,1,0,0,0,0|2,0,0]=4 7254 B11R1.81 FCOc1ccc(nc1I)Cl 7a_100000696390_100015361967 [1,1,0,0,0,0|2,0,0]=4 7255 B11R1.81 FCOc1cnc(cc1Cl)Cl 34a_100009868576_100015361967 [1,1,0,0,0,0|2,0,0]=4 7256 B11R1.81 FCOc1cnc(cc1Cl)Cl 7a_100009868576_100015361967 [1,1,0,0,0,0|2,0,0]=4 7257 B11R1.81 FCOc1cnc(cc1I)Cl 34a_100000698892_100015361967 [1,1,0,0,0,0|2,0,0]=4 7258 B11R1.81 FCOc1cnc(cc1I)Cl 7a_100000698892_100015361967 [1,1,0,0,0,0|2,0,0]=4 7259 B11R1.81 FCOc1ncc(cc1F)Cl 34a_100011998252_100015361967 [1,1,0,0,0,0|2,0,0]=4 7260 B11R1.81 FCSc1ccc(cc1Br)Cl 62a_100011219703_100015361967 [1,1,0,0,0,0|1,1,0]=4 7261 B11R1.81 FCSc1ccc(cc1Br)Cl 62a_100015361967_100011219703 [1,1,0,0,0,0|1,1,0]=4 7262 B11R1.81 FCSc1ccc(cc1Cl)Cl 62a_100000699841_100015361967 [1,1,0,0,0,0|1,1,0]=4 7263 B11R1.81 FCSc1ccc(cc1Cl)Cl 62a_100015361967_100000699841 [1,1,0,0,0,0|1,1,0]=4 7264 B11R1.81 FCSc1ccc(cc1F)Cl 62a_100011216042_100015361967 [1,1,0,0,0,0|1,1,0]=4 7265 B11R1.81 FCSc1ccc(cc1F)Cl 62a_100015361967_100011216042 [1,1,0,0,0,0|1,1,0]=4 7266 B11R1.81 Nc1cc(ccc1OCF)Br 34a_100000752626_100015361967 [1,1,0,0,0,0|1,1,0]=4 7267 B11R1.81 Nc1cc(ccc1OCF)Br 7a_100000752626_100015361967 [1,1,0,0,0,0|1,1,0]=4 7268 B11R1.81 Nc1cc(ccc1OCF)Cl 34a_100000210500_100015361967 [1,1,0,0,0,0|1,0,0]=3 7269 B11R1.81 Nc1cc(ccc1OCF)Cl 7a_100000210500_100015361967 [1,1,0,0,0,0|1,0,0]=3 7270 B11R1.81 Nc1cc(ccc1OCF)F 34a_100000759472_100015361967 [1,1,0,0,0,0|1,1,0]=4 7271 B11R1.81 Nc1cc(ccc1OCF)F 7a_100000759472_100015361967 [1,1,0,0,0,0|1,1,0]=4 7272 B11R1.81 Nc1cc(ccc1OCF)I 34a_100000753495_100015361967 [1,1,0,0,0,0|1,1,0]=4 7273 B11R1.81 Nc1cc(ccc1OCF)I 7a_100000753495_100015361967 [1,1,0,0,0,0|1,1,0]=4 7274 B11R1.81 Nc1cc(ccc1SCF)Cl 62a_100000761886_100015361967 [1,1,0,0,0,0|1,1,0]=4 7275 B11R1.81 Nc1cc(ccc1SCF)Cl 62a_100015361967_100000761886 [1,1,0,0,0,0|1,1,0]=4 7276 B11R1.81 Nc1cc(cnc1OCF)Cl 34a_100011998249_100015361967 [1,1,0,0,0,0|2,0,0]=4 7277 B11R1.81 Nc1ccc(c(c1)Br)OCF 34a_100011534360_100015361967 [1,1,0,0,0,0|2,0,0]=4 7278 B11R1.81 Nc1ccc(c(c1)Br)OCF 7a_100011534360_100015361967 [1,1,0,0,0,0|2,0,0]=4 7279 B11R1.81 Nc1ccc(c(c1)Cl)OCF 34a_100000744943_100015361967 [1,1,0,0,0,0|2,0,0]=4 7280 B11R1.81 Nc1ccc(c(c1)Cl)OCF 7a_100000744943_100015361967 [1,1,0,0,0,0|2,0,0]=4 7281 B11R1.81 Nc1ccc(c(c1)F)OCF 34a_100011220035_100015361967 [1,1,0,0,0,0|2,0,0]=4 7282 B11R1.81 Nc1ccc(c(c1)F)OCF 7a_100011220035_100015361967 [1,1,0,0,0,0|2,0,0]=4 7283 B11R1.81 Nc1ccc(c(c1)N)OCF 34a_100000725306_100015361967 [1,1,0,0,0,0|2,0,0]=4 7284 B11R1.81 Nc1nc(ccc1OCF)Cl 34a_100000717809_100015361967 [1,1,0,0,0,0|2,0,0]=4 7285 B11R1.81 Nc1nc(ccc1OCF)Cl 7a_100000717809_100015361967 [1,1,0,0,0,0|2,0,0]=4 7286 B11R1.81 OCCc1ccc(cc1F)O 271570a_203496583355_100011962869 [1,1,0,0,0,0|1,0,0]=3 7287 B11R1.81 Oc1cc(ccc1NCF)Cl 34a_100000185728_100015361967 [1,1,0,0,0,0|2,0,0]=4 7288 B11R1.81 Oc1cc(ccc1SCF)Cl 62a_100000050036_100015361967 [1,1,0,0,0,0|1,1,0]=4 7289 B11R1.81 Oc1cc(ccc1SCF)Cl 62a_100015361967_100000050036 [1,1,0,0,0,0|1,1,0]=4 7290 B11R1.81 [13CH3]NCc1ccc(cc1Br)Cl 34a_100102692131_200025704644 [1,1,0,0,0,0|2,0,0]=4 7291 B11R1.81 [13CH3]NCc1ccc(cc1Cl)Cl 34a_100000174880_200025704644 [1,1,0,0,0,0|2,0,0]=4 7292 B11R1.81 [13CH3]NCc1ccc(cc1F)Cl 34a_100000708496_200025704644 [1,1,0,0,0,0|2,0,0]=4 7293 B11R1.81 [13CH3]OCc1ccc(cc1Br)Cl 34a_100000707881_200025704644 [1,1,0,0,0,0|2,0,0]=4 7294 B11R1.81 [13CH3]OCc1ccc(cc1Br)Cl 7a_100000707881_200025704644 [1,1,0,0,0,0|2,0,0]=4 7295 B11R1.81 [13CH3]OCc1ccc(cc1Cl)Cl 34a_100000215721_200025704644 [1,1,0,0,0,0|2,0,0]=4 7296 B11R1.81 [13CH3]OCc1ccc(cc1Cl)Cl 7a_100000215721_200025704644 [1,1,0,0,0,0|2,0,0]=4 7297 B11R1.81 [13CH3]OCc1ccc(cc1F)Cl 34a_100011217562_200025704644 [1,1,0,0,0,0|2,0,0]=4 7298 B11R1.81 [13CH3]OCc1ccc(cc1F)Cl 7a_100011217562_200025704644 [1,1,0,0,0,0|2,0,0]=4 7299 B11R1.81 [13CH3]OCc1ccc(cc1I)Cl 34a_100000722340_200025704644 [1,1,0,0,0,0|2,0,0]=4 7300 B11R1.81 [13CH3]OCc1ccc(cc1I)Cl 7a_100000722340_200025704644 [1,1,0,0,0,0|2,0,0]=4 7301 B11R1.81 [13CH3]OCc1ccc(cc1N)Cl 34a_100000238622_200025704644 [1,1,0,0,0,0|2,0,0]=4 7302 B11R1.81 [13CH3]OCc1ccc(cc1N)Cl 7a_100000238622_200025704644 [1,1,0,0,0,0|2,0,0]=4 7303 B11R1.81 [13CH3]SCc1ccc(cc1Br)Cl 62a_100000755608_200025704644 [1,1,0,0,0,0|2,0,0]=4 7304 B11R1.81 [13CH3]SCc1ccc(cc1Br)Cl 62a_200025704644_100000755608 [1,1,0,0,0,0|2,0,0]=4 7305 B11R1.81 [13CH3]SCc1ccc(cc1Cl)Cl 62a_100000188473_200025704644 [1,1,0,0,0,0|2,0,0]=4 7306 B11R1.81 [13CH3]SCc1ccc(cc1Cl)Cl 62a_200025704644_100000188473 [1,1,0,0,0,0|2,0,0]=4 7307 B11R1.81 [13CH3]SCc1ccc(cc1F)Cl 62a_100000709361_200025704644 [1,1,0,0,0,0|2,0,0]=4 7308 B11R1.81 [13CH3]SCc1ccc(cc1F)Cl 62a_200025704644_100000709361 [1,1,0,0,0,0|2,0,0]=4 7309 B11R1.81 [13CH3]SCc1ccc(cc1I)Cl 62a_100010254388_200025704644 [1,1,0,0,0,0|2,0,0]=4 7310 B11R1.81 [13CH3]SCc1ccc(cc1I)Cl 62a_200025704644_100010254388 [1,1,0,0,0,0|2,0,0]=4 7311 B11R1.83 C#Cc1ccc(cc1)NCC 34a_100011215031_100000210202 [1,1,0,0,0,0|2,0,0]=4 7312 B11R1.83 C#Cc1ccc(nc1)OCC 34a_200009884252_100000210202 [1,1,0,0,0,0|2,0,0]=4 7313 B11R1.83 C=Cc1ccc(cc1)CCC 271570a_100011290941_100000750032 [1,1,0,0,0,0|2,0,0]=4 7314 B11R1.83 C=Cc1ccc(cc1)CCN 271570a_100011290941_100000755846 [1,1,0,0,0,0|2,0,0]=4 7315 B11R1.83 C=Cc1ccc(cc1)CCO 271570a_100011290941_100000766406 [1,1,0,0,0,0|1,0,0]=3 7316 B11R1.83 C=Cc1ccc(cc1)NCC 271570a_100011290941_100000219632 [1,1,0,0,0,0|2,0,0]=4 7317 B11R1.83 C=Cc1ccc(cc1)NCC 34a_100011218248_100000210202 [1,1,0,0,0,0|2,0,0]=4 7318 B11R1.83 C=Cc1ccc(cc1)OCC 271570a_100011290941_100000169946 [1,1,0,0,0,0|1,0,0]=3 7319 B11R1.83 C=Cc1ccc(cc1)OCC 34a_100000189437_100000210202 [1,1,0,0,0,0|1,0,0]=3 7320 B11R1.83 C=Cc1ccc(cc1)OCC 7a_100000189437_100000210202 [1,1,0,0,0,0|1,0,0]=3 7321 B11R1.83 C=Cc1ccc(cc1)OCF 34a_100000189437_100015361967 [1,1,0,0,0,0|2,0,0]=4 7322 B11R1.83 C=Cc1ccc(cc1)OCF 7a_100000189437_100015361967 [1,1,0,0,0,0|2,0,0]=4 7323 B11R1.83 C=Cc1ccc(cc1)SCC 271570a_100011290941_200009811893 [1,1,0,0,0,0|1,1,0]=4 7324 B11R1.83 C=Cc1ccc(cc1)SCC 62a_100000210202_100000748128 [1,1,0,0,0,0|1,1,0]=4 7325 B11R1.83 C=Cc1ccc(cc1)SCC 62a_100000748128_100000210202 [1,1,0,0,0,0|1,1,0]=4 7326 B11R1.83 C=Cc1ccc(cn1)CCO 271570a_100011290941_100009880866 [1,1,0,0,0,0|2,0,0]=4 7327 B11R1.83 C=Cc1ccc(cn1)OCC 271570a_100011290941_100000753957 [1,1,0,0,0,0|2,0,0]=4 7328 B11R1.83 C=Cc1ccc(nc1)CCO 271570a_100011290941_100012357577 [1,1,0,0,0,0|2,0,0]=4 7329 B11R1.83 C=Cc1ccc(nc1)OCC 271570a_100011290941_100011219444 [1,1,0,0,0,0|2,0,0]=4 7330 B11R1.83 CCCc1ccc(cc1)NC 2230a_100000211780_200000210301 [1,1,0,0,0,0|2,0,0]=4 7331 B11R1.83 CCCc1ccc(cc1)NC 34a_100000211780_200000210301 [1,1,0,0,0,0|2,0,0]=4 7332 B11R1.83 CCCc1ccc(cc1)N[13CH3] 2230a_100000211780_200025704644 [1,1,0,0,0,0|2,0,0]=4 7333 B11R1.83 CCCc1ccc(cc1)N[13CH3] 34a_100000211780_200025704644 [1,1,0,0,0,0|2,0,0]=4 7334 B11R1.83 CCCc1ccc(cc1)OC 34a_100000749406_200000210301 [1,1,0,0,0,0|2,0,0]=4 7335 B11R1.83 CCCc1ccc(cc1)OC 7a_100000749406_200000210301 [1,1,0,0,0,0|2,0,0]=4 7336 B11R1.83 CCCc1ccc(cc1)O[13CH3] 34a_100000749406_200025704644 [1,1,0,0,0,0|2,0,0]=4 7337 B11R1.83 CCCc1ccc(cc1)O[13CH3] 7a_100000749406_200025704644 [1,1,0,0,0,0|2,0,0]=4 7338 B11R1.83 CCCc1ccc(cc1)SC 62a_100000750032_200000210301 [1,1,0,0,0,0|2,0,0]=4 7339 B11R1.83 CCCc1ccc(cc1)SC 62a_200000210301_100000750032 [1,1,0,0,0,0|2,0,0]=4 7340 B11R1.83 CCCc1ccc(cc1)S[13CH3] 62a_100000750032_200025704644 [1,1,0,0,0,0|2,0,0]=4 7341 B11R1.83 CCCc1ccc(cc1)S[13CH3] 62a_200025704644_100000750032 [1,1,0,0,0,0|2,0,0]=4 7342 B11R1.83 CCNc1ccc(cc1)C#N 34a_100000185469_100000210202 [1,1,0,0,0,0|2,0,0]=4 7343 B11R1.83 CCNc1ccc(cc1)CC 2230a_100000211069_100000210202 [1,1,0,0,0,0|2,0,0]=4 7344 B11R1.83 CCNc1ccc(cc1)CC 34a_100000211069_100000210202 [1,1,0,0,0,0|2,0,0]=4 7345 B11R1.83 CCNc1ccc(cc1)CO 2230a_100011215238_100000210202 [1,1,0,0,0,0|2,0,0]=4 7346 B11R1.83 CCNc1ccc(cc1)CO 34a_100011215238_100000210202 [1,1,0,0,0,0|2,0,0]=4 7347 B11R1.83 CCNc1ccc(cc1)OC 34a_100000184247_100000210202 [1,1,0,0,0,0|2,0,0]=4 7348 B11R1.83 CCNc1ccc(cc1)OC 34a_100011337800_200000210301 [1,1,0,0,0,0|2,0,0]=4 7349 B11R1.83 CCNc1ccc(cc1)OC 7a_100011337800_200000210301 [1,1,0,0,0,0|2,0,0]=4 7350 B11R1.83 CCNc1ccc(cc1)O[13CH3] 34a_100011337800_200025704644 [1,1,0,0,0,0|2,0,0]=4 7351 B11R1.83 CCNc1ccc(cc1)O[13CH3] 7a_100011337800_200025704644 [1,1,0,0,0,0|2,0,0]=4 7352 B11R1.83 CCNc1ccc(cc1)SC 34a_100000212337_100000210202 [1,1,0,0,0,0|2,0,0]=4 7353 B11R1.83 CCNc1ccc(cc1)SC 62a_200000210301_100000219632 [1,1,0,0,0,0|2,0,0]=4 7354 B11R1.83 CCNc1ccc(cc1)S[13CH3] 62a_200025704644_100000219632 [1,1,0,0,0,0|2,0,0]=4 7355 B11R1.83 CCOc1ccc(cc1)C#N 34a_100000210344_100000210202 [1,1,0,0,0,0|1,0,0]=3 7356 B11R1.83 CCOc1ccc(cc1)C#N 7a_100000210344_100000210202 [1,1,0,0,0,0|1,0,0]=3 7357 B11R1.83 CCOc1ccc(cc1)CC 34a_100000211359_100000210202 [1,1,0,0,0,0|1,0,0]=3 7358 B11R1.83 CCOc1ccc(cc1)CC 7a_100000211359_100000210202 [1,1,0,0,0,0|1,0,0]=3 7359 B11R1.83 CCOc1ccc(cc1)CN 34a_100000185549_100000210202 [1,1,0,0,0,0|1,0,0]=3 7360 B11R1.83 CCOc1ccc(cc1)CO 34a_100000211755_100000210202 [1,1,0,0,0,0|1,0,0]=3 7361 B11R1.83 CCOc1ccc(cc1)NC 2230a_100000739623_200000210301 [1,1,0,0,0,0|1,0,0]=3 7362 B11R1.83 CCOc1ccc(cc1)NC 34a_100000182112_100000210202 [1,1,0,0,0,0|1,0,0]=3 7363 B11R1.83 CCOc1ccc(cc1)NC 34a_100000739623_200000210301 [1,1,0,0,0,0|1,0,0]=3 7364 B11R1.83 CCOc1ccc(cc1)N[13CH3] 2230a_100000739623_200025704644 [1,1,0,0,0,0|1,0,0]=3 7365 B11R1.83 CCOc1ccc(cc1)N[13CH3] 34a_100000739623_200025704644 [1,1,0,0,0,0|1,0,0]=3 7366 B11R1.83 CCOc1ccc(cc1)OC 34a_100000185467_200000210301 [1,1,0,0,0,0|1,0,0]=3 7367 B11R1.83 CCOc1ccc(cc1)OC 34a_100000210503_100000210202 [1,1,0,0,0,0|1,0,0]=3 7368 B11R1.83 CCOc1ccc(cc1)O[13CH3] 34a_100000185467_200025704644 [1,1,0,0,0,0|1,0,0]=3 7369 B11R1.83 CCOc1ccc(cc1)SC 34a_100000211864_100000210202 [1,1,0,0,0,0|1,0,0]=3 7370 B11R1.83 CCOc1ccc(cc1)SC 62a_200000210301_100000171712 [1,1,0,0,0,0|1,0,0]=3 7371 B11R1.83 CCOc1ccc(cc1)S[13CH3] 62a_200025704644_100000171712 [1,1,0,0,0,0|1,0,0]=3 7372 B11R1.83 CCOc1ccc(cn1)CN 34a_100000757128_100000210202 [1,1,0,0,0,0|2,0,0]=4 7373 B11R1.83 CCOc1ccc(cn1)OC 34a_100012002028_100000210202 [1,1,0,0,0,0|2,0,0]=4 7374 B11R1.83 CCOc1ccc(cn1)SC 62a_100011219444_200000210301 [1,1,0,0,0,0|2,0,0]=4 7375 B11R1.83 CCOc1ccc(cn1)SC 62a_200000210301_100011219444 [1,1,0,0,0,0|2,0,0]=4 7376 B11R1.83 CCOc1ccc(cn1)S[13CH3] 62a_100011219444_200025704644 [1,1,0,0,0,0|2,0,0]=4 7377 B11R1.83 CCOc1ccc(cn1)S[13CH3] 62a_200025704644_100011219444 [1,1,0,0,0,0|2,0,0]=4 7378 B11R1.83 CCOc1ccc(nc1)C#N 34a_100011934750_100000210202 [1,1,0,0,0,0|2,0,0]=4 7379 B11R1.83 CCOc1ccc(nc1)C#N 7a_100011934750_100000210202 [1,1,0,0,0,0|2,0,0]=4 7380 B11R1.83 CCOc1ccc(nc1)CN 34a_100020605196_100000210202 [1,1,0,0,0,0|2,0,0]=4 7381 B11R1.83 CCOc1ccc(nc1)CO 34a_103436540053_100000210202 [1,1,0,0,0,0|2,0,0]=4 7382 B11R1.83 CCOc1ccc(nc1)OC 34a_100011934560_100000210202 [1,1,0,0,0,0|2,0,0]=4 7383 B11R1.83 CCOc1ccc(nc1)SC 62a_100012355646_200000210301 [1,1,0,0,0,0|2,0,0]=4 7384 B11R1.83 CCOc1ccc(nc1)SC 62a_200000210301_100000753957 [1,1,0,0,0,0|2,0,0]=4 7385 B11R1.83 CCOc1ccc(nc1)S[13CH3] 62a_100012355646_200025704644 [1,1,0,0,0,0|2,0,0]=4 7386 B11R1.83 CCOc1ccc(nc1)S[13CH3] 62a_200025704644_100000753957 [1,1,0,0,0,0|2,0,0]=4 7387 B11R1.83 CCSc1ccc(cc1)C#N 62a_100000210202_100000184291 [1,1,0,0,0,0|1,1,0]=4 7388 B11R1.83 CCSc1ccc(cc1)C=O 62a_100000188517_100000210202 [1,1,0,0,0,0|1,1,0]=4 7389 B11R1.83 CCSc1ccc(cc1)C=O 62a_100000210202_100000188517 [1,1,0,0,0,0|1,1,0]=4 7390 B11R1.83 CCSc1ccc(cc1)CC 62a_100000210202_100011215824 [1,1,0,0,0,0|1,1,0]=4 7391 B11R1.83 CCSc1ccc(cc1)CC 62a_100011215824_100000210202 [1,1,0,0,0,0|1,1,0]=4 7392 B11R1.83 CCSc1ccc(cc1)CF 62a_100000210202_100010268989 [1,1,0,0,0,0|0,2,0]=4 7393 B11R1.83 CCSc1ccc(cc1)CF 62a_100010268989_100000210202 [1,1,0,0,0,0|0,2,0]=4 7394 B11R1.83 CCSc1ccc(cc1)CN 62a_100000210202_100016989417 [1,1,0,0,0,0|1,1,0]=4 7395 B11R1.83 CCSc1ccc(cc1)CN 62a_100016989417_100000210202 [1,1,0,0,0,0|1,1,0]=4 7396 B11R1.83 CCSc1ccc(cc1)CO 62a_100000210202_100000690907 [1,1,0,0,0,0|1,1,0]=4 7397 B11R1.83 CCSc1ccc(cc1)CO 62a_100000690907_100000210202 [1,1,0,0,0,0|1,1,0]=4 7398 B11R1.83 CCSc1ccc(cc1)NC 34a_100015187087_200000210301 [1,1,0,0,0,0|1,1,0]=4 7399 B11R1.83 CCSc1ccc(cc1)NC 62a_100000210202_100000743151 [1,1,0,0,0,0|1,1,0]=4 7400 B11R1.83 CCSc1ccc(cc1)NC 62a_100000743151_100000210202 [1,1,0,0,0,0|1,1,0]=4 7401 B11R1.83 CCSc1ccc(cc1)NN 62a_100000210202_100016988836 [1,1,0,0,0,0|1,1,0]=4 7402 B11R1.83 CCSc1ccc(cc1)NN 62a_100016988836_100000210202 [1,1,0,0,0,0|1,1,0]=4 7403 B11R1.83 CCSc1ccc(cc1)N[13CH3] 34a_100015187087_200025704644 [1,1,0,0,0,0|1,1,0]=4 7404 B11R1.83 CCSc1ccc(cc1)OC 62a_100000210202_100000171711 [1,1,0,0,0,0|1,1,0]=4 7405 B11R1.83 CCSc1ccc(cc1)SC 62a_100000210202_100011263217 [1,1,0,0,0,0|1,1,0]=4 7406 B11R1.83 CCSc1ccc(cc1)SC 62a_100011263217_100000210202 [1,1,0,0,0,0|1,1,0]=4 7407 B11R1.83 CCSc1ccc(cc1)SC 62a_200000210301_200009811893 [1,1,0,0,0,0|1,1,0]=4 7408 B11R1.83 CCSc1ccc(cc1)SC 62a_200009811893_200000210301 [1,1,0,0,0,0|1,1,0]=4 7409 B11R1.83 CCSc1ccc(cc1)S[13CH3] 62a_200009811893_200025704644 [1,1,0,0,0,0|1,1,0]=4 7410 B11R1.83 CCSc1ccc(cc1)S[13CH3] 62a_200025704644_200009811893 [1,1,0,0,0,0|1,1,0]=4 7411 B11R1.83 CCc1ccc(cc1)OCF 34a_100000211359_100015361967 [1,1,0,0,0,0|2,0,0]=4 7412 B11R1.83 CCc1ccc(cc1)OCF 7a_100000211359_100015361967 [1,1,0,0,0,0|2,0,0]=4 7413 B11R1.83 CNc1ccc(cc1)CCO 2230a_100011204434_200000210301 [1,1,0,0,0,0|1,0,0]=3 7414 B11R1.83 CNc1ccc(cc1)CCO 34a_100011204434_200000210301 [1,1,0,0,0,0|1,0,0]=3 7415 B11R1.83 CNc1ccc(cc1)OCF 34a_100000182112_100015361967 [1,1,0,0,0,0|2,0,0]=4 7416 B11R1.83 COCc1ccc(cc1)CCl 34a_100000067286_200000210301 [1,1,0,0,0,0|2,0,0]=4 7417 B11R1.83 COCc1ccc(cc1)CCl 7a_100000067286_200000210301 [1,1,0,0,0,0|2,0,0]=4 7418 B11R1.83 COc1ccc(cc1)CCBr 34a_100009816426_200000210301 [1,1,0,0,0,0|2,0,0]=4 7419 B11R1.83 COc1ccc(cc1)CCBr 7a_100009816426_200000210301 [1,1,0,0,0,0|2,0,0]=4 7420 B11R1.83 COc1ccc(cc1)CCN 34a_100000743037_200000210301 [1,1,0,0,0,0|2,0,0]=4 7421 B11R1.83 COc1ccc(cc1)CCO 34a_100011215338_200000210301 [1,1,0,0,0,0|1,0,0]=3 7422 B11R1.83 COc1ccc(cc1)CCO 7a_100011215338_200000210301 [1,1,0,0,0,0|1,0,0]=3 7423 B11R1.83 COc1ccc(cc1)OCF 34a_100000210503_100015361967 [1,1,0,0,0,0|2,0,0]=4 7424 B11R1.83 CSc1ccc(cc1)CCN 62a_100000755846_200000210301 [1,1,0,0,0,0|2,0,0]=4 7425 B11R1.83 CSc1ccc(cc1)CCN 62a_200000210301_100000755846 [1,1,0,0,0,0|2,0,0]=4 7426 B11R1.83 CSc1ccc(cc1)CCO 62a_100000766406_200000210301 [1,1,0,0,0,0|1,0,0]=3 7427 B11R1.83 CSc1ccc(cc1)CCO 62a_200000210301_100000766406 [1,1,0,0,0,0|1,0,0]=3 7428 B11R1.83 CSc1ccc(cc1)OCF 34a_100000211864_100015361967 [1,1,0,0,0,0|2,0,0]=4 7429 B11R1.83 CSc1ccc(cn1)CCO 62a_100009880866_200000210301 [1,1,0,0,0,0|2,0,0]=4 7430 B11R1.83 CSc1ccc(cn1)CCO 62a_200000210301_100009880866 [1,1,0,0,0,0|2,0,0]=4 7431 B11R1.83 CSc1ccc(nc1)CCO 62a_100012357577_200000210301 [1,1,0,0,0,0|2,0,0]=4 7432 B11R1.83 CSc1ccc(nc1)CCO 62a_200000210301_100012357577 [1,1,0,0,0,0|2,0,0]=4 7433 B11R1.83 N#Cc1ccc(cc1)OCF 34a_100000210344_100015361967 [1,1,0,0,0,0|2,0,0]=4 7434 B11R1.83 N#Cc1ccc(cc1)OCF 7a_100000210344_100015361967 [1,1,0,0,0,0|2,0,0]=4 7435 B11R1.83 NCc1ccc(cc1)OCF 34a_100000185549_100015361967 [1,1,0,0,0,0|2,0,0]=4 7436 B11R1.83 OCc1ccc(cc1)OCF 34a_100000211755_100015361967 [1,1,0,0,0,0|2,0,0]=4 7437 B11R1.83 [13CH3]Nc1ccc(cc1)CCO 2230a_100011204434_200025704644 [1,1,0,0,0,0|1,0,0]=3 7438 B11R1.83 [13CH3]Nc1ccc(cc1)CCO 34a_100011204434_200025704644 [1,1,0,0,0,0|1,0,0]=3 7439 B11R1.83 [13CH3]OCc1ccc(cc1)CCl 34a_100000067286_200025704644 [1,1,0,0,0,0|2,0,0]=4 7440 B11R1.83 [13CH3]OCc1ccc(cc1)CCl 7a_100000067286_200025704644 [1,1,0,0,0,0|2,0,0]=4 7441 B11R1.83 [13CH3]Oc1ccc(cc1)CCBr 34a_100009816426_200025704644 [1,1,0,0,0,0|2,0,0]=4 7442 B11R1.83 [13CH3]Oc1ccc(cc1)CCBr 7a_100009816426_200025704644 [1,1,0,0,0,0|2,0,0]=4 7443 B11R1.83 [13CH3]Oc1ccc(cc1)CCN 34a_100000743037_200025704644 [1,1,0,0,0,0|2,0,0]=4 7444 B11R1.83 [13CH3]Oc1ccc(cc1)CCO 34a_100011215338_200025704644 [1,1,0,0,0,0|1,0,0]=3 7445 B11R1.83 [13CH3]Oc1ccc(cc1)CCO 7a_100011215338_200025704644 [1,1,0,0,0,0|1,0,0]=3 7446 B11R1.83 [13CH3]Sc1ccc(cc1)CCN 62a_100000755846_200025704644 [1,1,0,0,0,0|2,0,0]=4 7447 B11R1.83 [13CH3]Sc1ccc(cc1)CCN 62a_200025704644_100000755846 [1,1,0,0,0,0|2,0,0]=4 7448 B11R1.83 [13CH3]Sc1ccc(cc1)CCO 62a_100000766406_200025704644 [1,1,0,0,0,0|1,0,0]=3 7449 B11R1.83 [13CH3]Sc1ccc(cc1)CCO 62a_200025704644_100000766406 [1,1,0,0,0,0|1,0,0]=3 7450 B11R1.83 [13CH3]Sc1ccc(cn1)CCO 62a_100009880866_200025704644 [1,1,0,0,0,0|2,0,0]=4 7451 B11R1.83 [13CH3]Sc1ccc(cn1)CCO 62a_200025704644_100009880866 [1,1,0,0,0,0|2,0,0]=4 7452 B11R1.83 [13CH3]Sc1ccc(nc1)CCO 62a_100012357577_200025704644 [1,1,0,0,0,0|2,0,0]=4 7453 B11R1.83 [13CH3]Sc1ccc(nc1)CCO 62a_200025704644_100012357577 [1,1,0,0,0,0|2,0,0]=4 7454 B11R1.192 CC=Cc1ccc(c(c1)Br)Cl 271570a_100016259895_100012353702 [1,1,0,0,0,0|1,0,1]=4 7455 B11R1.192 CC=Cc1ccc(c(c1)C)Cl 271570a_100016259895_100000049509 [1,1,0,0,0,0|1,0,1]=4 7456 B11R1.192 CC=Cc1ccc(c(c1)Cl)Cl 271570a_100016259895_100011214914 [1,1,0,0,0,0|1,0,1]=4 7457 B11R1.192 CC=Cc1ccc(c(c1)F)Cl 271570a_100016259895_100011216805 [1,1,0,0,0,0|1,0,1]=4 7458 B11R1.192 CC=Cc1ccc(c(c1)N)Cl 271570a_100016259895_200000761891 [1,1,0,0,0,0|1,0,1]=4 7459 B11R1.192 CC=Cc1ccc(c(c1)O)Cl 271570a_100016259895_100011356854 [1,1,0,0,0,0|1,0,1]=4 7460 B11R1.192 CCCc1ccc(c(c1)F)O 271570a_203496583355_200010686677 [1,1,0,0,0,0|2,0,0]=4 7461 B11R1.192 CCNc1ccc(c(c1)Br)Br 2230a_100011306057_100000210202 [1,1,0,0,0,0|1,1,0]=4 7462 B11R1.192 CCNc1ccc(c(c1)Br)Br 34a_100011306057_100000210202 [1,1,0,0,0,0|1,1,0]=4 7463 B11R1.192 CCNc1ccc(c(c1)Br)Br 7a_100011306057_100000210202 [1,1,0,0,0,0|1,1,0]=4 7464 B11R1.192 CCNc1ccc(c(c1)Br)C 2230a_100000736455_100000210202 [1,1,0,0,0,0|2,0,0]=4 7465 B11R1.192 CCNc1ccc(c(c1)Br)C 34a_100000736455_100000210202 [1,1,0,0,0,0|2,0,0]=4 7466 B11R1.192 CCNc1ccc(c(c1)Br)C 7a_100000736455_100000210202 [1,1,0,0,0,0|2,0,0]=4 7467 B11R1.192 CCNc1ccc(c(c1)Br)Cl 2230a_100000686031_100000210202 [1,1,0,0,0,0|1,0,0]=3 7468 B11R1.192 CCNc1ccc(c(c1)Br)Cl 34a_100000686031_100000210202 [1,1,0,0,0,0|1,0,0]=3 7469 B11R1.192 CCNc1ccc(c(c1)Br)F 2230a_100000760356_100000210202 [1,1,0,0,0,0|1,1,0]=4 7470 B11R1.192 CCNc1ccc(c(c1)Br)F 34a_100000760356_100000210202 [1,1,0,0,0,0|1,1,0]=4 7471 B11R1.192 CCNc1ccc(c(c1)Br)F 7a_100000760356_100000210202 [1,1,0,0,0,0|1,1,0]=4 7472 B11R1.192 CCNc1ccc(c(c1)Br)I 34a_100000750458_100000210202 [1,1,0,0,0,0|1,1,0]=4 7473 B11R1.192 CCNc1ccc(c(c1)Br)O 34a_100011534360_100000210202 [1,1,0,0,0,0|2,0,0]=4 7474 B11R1.192 CCNc1ccc(c(c1)C)Br 2230a_100000210723_100000210202 [1,1,0,0,0,0|1,1,0]=4 7475 B11R1.192 CCNc1ccc(c(c1)C)Br 34a_100000210723_100000210202 [1,1,0,0,0,0|1,1,0]=4 7476 B11R1.192 CCNc1ccc(c(c1)C)Br 7a_100000210723_100000210202 [1,1,0,0,0,0|1,1,0]=4 7477 B11R1.192 CCNc1ccc(c(c1)C)C 2230a_100000724040_100000210202 [1,1,0,0,0,0|2,0,0]=4 7478 B11R1.192 CCNc1ccc(c(c1)C)C 34a_100000724040_100000210202 [1,1,0,0,0,0|2,0,0]=4 7479 B11R1.192 CCNc1ccc(c(c1)C)C 7a_100000724040_100000210202 [1,1,0,0,0,0|2,0,0]=4 7480 B11R1.192 CCNc1ccc(c(c1)C)Cl 2230a_100000187808_100000210202 [1,1,0,0,0,0|1,0,0]=3 7481 B11R1.192 CCNc1ccc(c(c1)C)Cl 34a_100000187808_100000210202 [1,1,0,0,0,0|1,0,0]=3 7482 B11R1.192 CCNc1ccc(c(c1)C)Cl 7a_100000187808_100000210202 [1,1,0,0,0,0|1,0,0]=3 7483 B11R1.192 CCNc1ccc(c(c1)C)F 2230a_100000750164_100000210202 [1,1,0,0,0,0|1,1,0]=4 7484 B11R1.192 CCNc1ccc(c(c1)C)F 34a_100000750164_100000210202 [1,1,0,0,0,0|1,1,0]=4 7485 B11R1.192 CCNc1ccc(c(c1)C)F 7a_100000750164_100000210202 [1,1,0,0,0,0|1,1,0]=4 7486 B11R1.192 CCNc1ccc(c(c1)C)I 34a_100000198070_100000210202 [1,1,0,0,0,0|1,1,0]=4 7487 B11R1.192 CCNc1ccc(c(c1)C)I 7a_100000198070_100000210202 [1,1,0,0,0,0|1,1,0]=4 7488 B11R1.192 CCNc1ccc(c(c1)C)O 271570a_203496583355_100015183089 [1,1,0,0,0,0|2,0,0]=4 7489 B11R1.192 CCNc1ccc(c(c1)C)O 34a_100011218179_100000210202 [1,1,0,0,0,0|2,0,0]=4 7490 B11R1.192 CCNc1ccc(c(c1)C)O 7a_100011218179_100000210202 [1,1,0,0,0,0|2,0,0]=4 7491 B11R1.192 CCNc1ccc(c(c1)Cl)Br 2230a_100000687081_100000210202 [1,1,0,0,0,0|1,1,0]=4 7492 B11R1.192 CCNc1ccc(c(c1)Cl)Br 34a_100000687081_100000210202 [1,1,0,0,0,0|1,1,0]=4 7493 B11R1.192 CCNc1ccc(c(c1)Cl)Br 7a_100000687081_100000210202 [1,1,0,0,0,0|1,1,0]=4 7494 B11R1.192 CCNc1ccc(c(c1)Cl)C 2230a_100000188892_100000210202 [1,1,0,0,0,0|2,0,0]=4 7495 B11R1.192 CCNc1ccc(c(c1)Cl)C 34a_100000188892_100000210202 [1,1,0,0,0,0|2,0,0]=4 7496 B11R1.192 CCNc1ccc(c(c1)Cl)C 7a_100000188892_100000210202 [1,1,0,0,0,0|2,0,0]=4 7497 B11R1.192 CCNc1ccc(c(c1)Cl)Cl 2230a_100000184108_100000210202 [1,1,0,0,0,0|1,0,0]=3 7498 B11R1.192 CCNc1ccc(c(c1)Cl)Cl 34a_100000184108_100000210202 [1,1,0,0,0,0|1,0,0]=3 7499 B11R1.192 CCNc1ccc(c(c1)Cl)F 2230a_100000211060_100000210202 [1,1,0,0,0,0|1,1,0]=4 7500 B11R1.192 CCNc1ccc(c(c1)Cl)F 34a_100000211060_100000210202 [1,1,0,0,0,0|1,1,0]=4 7501 B11R1.192 CCNc1ccc(c(c1)Cl)F 7a_100000211060_100000210202 [1,1,0,0,0,0|1,1,0]=4 7502 B11R1.192 CCNc1ccc(c(c1)Cl)I 34a_100000761885_100000210202 [1,1,0,0,0,0|1,1,0]=4 7503 B11R1.192 CCNc1ccc(c(c1)Cl)O 34a_100000744943_100000210202 [1,1,0,0,0,0|2,0,0]=4 7504 B11R1.192 CCNc1ccc(c(c1)F)Br 2230a_100000759894_100000210202 [1,1,0,0,0,0|1,1,0]=4 7505 B11R1.192 CCNc1ccc(c(c1)F)Br 34a_100000759894_100000210202 [1,1,0,0,0,0|1,1,0]=4 7506 B11R1.192 CCNc1ccc(c(c1)F)Br 7a_100000759894_100000210202 [1,1,0,0,0,0|1,1,0]=4 7507 B11R1.192 CCNc1ccc(c(c1)F)C 2230a_100000210958_100000210202 [1,1,0,0,0,0|2,0,0]=4 7508 B11R1.192 CCNc1ccc(c(c1)F)C 34a_100000210958_100000210202 [1,1,0,0,0,0|2,0,0]=4 7509 B11R1.192 CCNc1ccc(c(c1)F)C 7a_100000210958_100000210202 [1,1,0,0,0,0|2,0,0]=4 7510 B11R1.192 CCNc1ccc(c(c1)F)Cl 2230a_100000739366_100000210202 [1,1,0,0,0,0|1,0,0]=3 7511 B11R1.192 CCNc1ccc(c(c1)F)Cl 34a_100000739366_100000210202 [1,1,0,0,0,0|1,0,0]=3 7512 B11R1.192 CCNc1ccc(c(c1)F)Cl 7a_100000739366_100000210202 [1,1,0,0,0,0|1,0,0]=3 7513 B11R1.192 CCNc1ccc(c(c1)F)F 2230a_100000210724_100000210202 [1,1,0,0,0,0|1,1,0]=4 7514 B11R1.192 CCNc1ccc(c(c1)F)F 34a_100000210724_100000210202 [1,1,0,0,0,0|1,1,0]=4 7515 B11R1.192 CCNc1ccc(c(c1)F)F 7a_100000210724_100000210202 [1,1,0,0,0,0|1,1,0]=4 7516 B11R1.192 CCNc1ccc(c(c1)F)I 34a_100011356925_100000210202 [1,1,0,0,0,0|1,1,0]=4 7517 B11R1.192 CCNc1ccc(c(c1)F)I 7a_100011356925_100000210202 [1,1,0,0,0,0|1,1,0]=4 7518 B11R1.192 CCNc1ccc(c(c1)F)O 34a_100011220035_100000210202 [1,1,0,0,0,0|2,0,0]=4 7519 B11R1.192 CCNc1ccc(c(c1)F)O 7a_100011220035_100000210202 [1,1,0,0,0,0|2,0,0]=4 7520 B11R1.192 CCNc1ccc(c(c1)I)Br 34a_100000750459_100000210202 [1,1,0,0,0,0|1,1,0]=4 7521 B11R1.192 CCNc1ccc(c(c1)I)C 34a_100000184131_100000210202 [1,1,0,0,0,0|2,0,0]=4 7522 B11R1.192 CCNc1ccc(c(c1)I)C 7a_100000184131_100000210202 [1,1,0,0,0,0|2,0,0]=4 7523 B11R1.192 CCNc1ccc(c(c1)I)Cl 34a_100012360549_100000210202 [1,1,0,0,0,0|1,0,0]=3 7524 B11R1.192 CCNc1ccc(c(c1)I)F 34a_114828291077_100000210202 [1,1,0,0,0,0|1,1,0]=4 7525 B11R1.192 CCNc1ccc(c(c1)I)F 7a_114828291077_100000210202 [1,1,0,0,0,0|1,1,0]=4 7526 B11R1.192 CCNc1ccc(c(c1)O)C 34a_100000759471_100000210202 [1,1,0,0,0,0|2,0,0]=4 7527 B11R1.192 CCNc1ccc(c(c1)O)C 7a_100000759471_100000210202 [1,1,0,0,0,0|2,0,0]=4 7528 B11R1.192 CCNc1ccc(c(c1)O)Cl 34a_100011934209_100000210202 [1,1,0,0,0,0|1,0,0]=3 7529 B11R1.192 CCNc1ccc(c(c1)O)F 34a_100012017398_100000210202 [1,1,0,0,0,0|1,1,0]=4 7530 B11R1.192 CCNc1ccc(c(c1)O)F 7a_100012017398_100000210202 [1,1,0,0,0,0|1,1,0]=4 7531 B11R1.192 CCNc1ccc(c(c1)O)O 34a_100102946323_100000210202 [1,1,0,0,0,0|2,0,0]=4 7532 B11R1.192 CCOc1cc(c(cn1)Br)C 34a_100000766222_100000210202 [1,1,0,0,0,0|1,1,0]=4 7533 B11R1.192 CCOc1cc(c(cn1)Br)Cl 34a_100010369989_100000210202 [1,1,0,0,0,0|1,1,0]=4 7534 B11R1.192 CCOc1cc(c(cn1)C)Br 34a_100009831917_100000210202 [1,1,0,0,0,0|2,0,0]=4 7535 B11R1.192 CCOc1cc(c(cn1)Cl)C 34a_200000085746_100000210202 [1,1,0,0,0,0|1,0,0]=3 7536 B11R1.192 CCOc1cc(c(cn1)Cl)Cl 34a_200000099200_100000210202 [1,1,0,0,0,0|1,0,0]=3 7537 B11R1.192 CCOc1cc(c(cn1)O)C 271570a_203496583355_200012351029 [1,1,0,0,0,0|2,0,0]=4 7538 B11R1.192 CCOc1ccc(c(c1)Br)C 34a_100011380479_100000210202 [1,1,0,0,0,0|1,0,0]=3 7539 B11R1.192 CCOc1ccc(c(c1)Br)C 7a_100011380479_100000210202 [1,1,0,0,0,0|1,0,0]=3 7540 B11R1.192 CCOc1ccc(c(c1)Br)Cl 34a_100011933957_100000210202 [1,1,0,0,0,0|0,0,0]=2 7541 B11R1.192 CCOc1ccc(c(c1)Br)Cl 7a_100011933957_100000210202 [1,1,0,0,0,0|0,0,0]=2 7542 B11R1.192 CCOc1ccc(c(c1)Br)F 34a_100000693481_100000210202 [1,1,0,0,0,0|0,1,0]=3 7543 B11R1.192 CCOc1ccc(c(c1)Br)F 7a_100000693481_100000210202 [1,1,0,0,0,0|0,1,0]=3 7544 B11R1.192 CCOc1ccc(c(c1)Br)I 34a_100000701344_100000210202 [1,1,0,0,0,0|0,1,0]=3 7545 B11R1.192 CCOc1ccc(c(c1)Br)I 7a_100000701344_100000210202 [1,1,0,0,0,0|0,1,0]=3 7546 B11R1.192 CCOc1ccc(c(c1)Br)N 34a_100012001276_100000210202 [1,1,0,0,0,0|1,0,0]=3 7547 B11R1.192 CCOc1ccc(c(c1)Br)N 7a_100012001276_100000210202 [1,1,0,0,0,0|1,0,0]=3 7548 B11R1.192 CCOc1ccc(c(c1)C)Br 34a_100000690111_100000210202 [1,1,0,0,0,0|0,1,0]=3 7549 B11R1.192 CCOc1ccc(c(c1)C)Br 7a_100000690111_100000210202 [1,1,0,0,0,0|0,1,0]=3 7550 B11R1.192 CCOc1ccc(c(c1)C)C 34a_100000210932_100000210202 [1,1,0,0,0,0|1,0,0]=3 7551 B11R1.192 CCOc1ccc(c(c1)C)C 7a_100000210932_100000210202 [1,1,0,0,0,0|1,0,0]=3 7552 B11R1.192 CCOc1ccc(c(c1)C)Cl 34a_100000211092_100000210202 [1,1,0,0,0,0|0,0,0]=2 7553 B11R1.192 CCOc1ccc(c(c1)C)Cl 7a_100000211092_100000210202 [1,1,0,0,0,0|0,0,0]=2 7554 B11R1.192 CCOc1ccc(c(c1)C)F 34a_100000751312_100000210202 [1,1,0,0,0,0|0,1,0]=3 7555 B11R1.192 CCOc1ccc(c(c1)C)F 7a_100000751312_100000210202 [1,1,0,0,0,0|0,1,0]=3 7556 B11R1.192 CCOc1ccc(c(c1)C)I 34a_100000729255_100000210202 [1,1,0,0,0,0|0,1,0]=3 7557 B11R1.192 CCOc1ccc(c(c1)C)I 7a_100000729255_100000210202 [1,1,0,0,0,0|0,1,0]=3 7558 B11R1.192 CCOc1ccc(c(c1)C)N 34a_100000756630_100000210202 [1,1,0,0,0,0|1,0,0]=3 7559 B11R1.192 CCOc1ccc(c(c1)C)N 7a_100000756630_100000210202 [1,1,0,0,0,0|1,0,0]=3 7560 B11R1.192 CCOc1ccc(c(c1)C)O 271570a_203496583355_100012344538 [1,1,0,0,0,0|1,0,0]=3 7561 B11R1.192 CCOc1ccc(c(c1)Cl)Br 34a_100011215161_100000210202 [1,1,0,0,0,0|0,1,0]=3 7562 B11R1.192 CCOc1ccc(c(c1)Cl)Br 7a_100011215161_100000210202 [1,1,0,0,0,0|0,1,0]=3 7563 B11R1.192 CCOc1ccc(c(c1)Cl)C 34a_100011265682_100000210202 [1,1,0,0,0,0|1,0,0]=3 7564 B11R1.192 CCOc1ccc(c(c1)Cl)C 7a_100011265682_100000210202 [1,1,0,0,0,0|1,0,0]=3 7565 B11R1.192 CCOc1ccc(c(c1)Cl)Cl 34a_100000211054_100000210202 [1,1,0,0,0,0|0,0,0]=2 7566 B11R1.192 CCOc1ccc(c(c1)Cl)Cl 7a_100000211054_100000210202 [1,1,0,0,0,0|0,0,0]=2 7567 B11R1.192 CCOc1ccc(c(c1)Cl)F 34a_100000211030_100000210202 [1,1,0,0,0,0|0,1,0]=3 7568 B11R1.192 CCOc1ccc(c(c1)Cl)F 7a_100000211030_100000210202 [1,1,0,0,0,0|0,1,0]=3 7569 B11R1.192 CCOc1ccc(c(c1)Cl)I 34a_100000047559_100000210202 [1,1,0,0,0,0|0,1,0]=3 7570 B11R1.192 CCOc1ccc(c(c1)Cl)I 7a_100000047559_100000210202 [1,1,0,0,0,0|0,1,0]=3 7571 B11R1.192 CCOc1ccc(c(c1)Cl)N 34a_100011215599_100000210202 [1,1,0,0,0,0|1,0,0]=3 7572 B11R1.192 CCOc1ccc(c(c1)Cl)N 7a_100011215599_100000210202 [1,1,0,0,0,0|1,0,0]=3 7573 B11R1.192 CCOc1ccc(c(c1)F)Br 34a_100000755031_100000210202 [1,1,0,0,0,0|0,1,0]=3 7574 B11R1.192 CCOc1ccc(c(c1)F)Br 7a_100000755031_100000210202 [1,1,0,0,0,0|0,1,0]=3 7575 B11R1.192 CCOc1ccc(c(c1)F)C 34a_100000722560_100000210202 [1,1,0,0,0,0|1,0,0]=3 7576 B11R1.192 CCOc1ccc(c(c1)F)C 7a_100000722560_100000210202 [1,1,0,0,0,0|1,0,0]=3 7577 B11R1.192 CCOc1ccc(c(c1)F)Cl 34a_100000691581_100000210202 [1,1,0,0,0,0|0,0,0]=2 7578 B11R1.192 CCOc1ccc(c(c1)F)Cl 7a_100000691581_100000210202 [1,1,0,0,0,0|0,0,0]=2 7579 B11R1.192 CCOc1ccc(c(c1)F)F 34a_100000181275_100000210202 [1,1,0,0,0,0|0,1,0]=3 7580 B11R1.192 CCOc1ccc(c(c1)F)F 7a_100000181275_100000210202 [1,1,0,0,0,0|0,1,0]=3 7581 B11R1.192 CCOc1ccc(c(c1)F)I 34a_100009990212_100000210202 [1,1,0,0,0,0|0,1,0]=3 7582 B11R1.192 CCOc1ccc(c(c1)F)I 7a_100009990212_100000210202 [1,1,0,0,0,0|0,1,0]=3 7583 B11R1.192 CCOc1ccc(c(c1)F)N 34a_100000759473_100000210202 [1,1,0,0,0,0|1,0,0]=3 7584 B11R1.192 CCOc1ccc(c(c1)F)N 7a_100000759473_100000210202 [1,1,0,0,0,0|1,0,0]=3 7585 B11R1.192 CCOc1ccc(c(c1)F)O 271570a_203496583355_100000692347 [1,1,0,0,0,0|1,0,0]=3 7586 B11R1.192 CCOc1ccc(c(c1)I)Br 34a_100012339312_100000210202 [1,1,0,0,0,0|0,1,0]=3 7587 B11R1.192 CCOc1ccc(c(c1)I)Br 7a_100012339312_100000210202 [1,1,0,0,0,0|0,1,0]=3 7588 B11R1.192 CCOc1ccc(c(c1)I)Cl 34a_100000049588_100000210202 [1,1,0,0,0,0|0,0,0]=2 7589 B11R1.192 CCOc1ccc(c(c1)I)Cl 7a_100000049588_100000210202 [1,1,0,0,0,0|0,0,0]=2 7590 B11R1.192 CCOc1ccc(c(c1)I)N 34a_100010084370_100000210202 [1,1,0,0,0,0|1,0,0]=3 7591 B11R1.192 CCOc1ccc(c(c1)I)N 7a_100010084370_100000210202 [1,1,0,0,0,0|1,0,0]=3 7592 B11R1.192 CCOc1ccc(c(c1)N)Br 34a_100011999798_100000210202 [1,1,0,0,0,0|0,1,0]=3 7593 B11R1.192 CCOc1ccc(c(c1)N)Br 7a_100011999798_100000210202 [1,1,0,0,0,0|0,1,0]=3 7594 B11R1.192 CCOc1ccc(c(c1)N)C 34a_100011216113_100000210202 [1,1,0,0,0,0|1,0,0]=3 7595 B11R1.192 CCOc1ccc(c(c1)N)C 7a_100011216113_100000210202 [1,1,0,0,0,0|1,0,0]=3 7596 B11R1.192 CCOc1ccc(c(c1)N)Cl 34a_100011934297_100000210202 [1,1,0,0,0,0|0,0,0]=2 7597 B11R1.192 CCOc1ccc(c(c1)N)F 34a_100012017239_100000210202 [1,1,0,0,0,0|0,1,0]=3 7598 B11R1.192 CCOc1ccc(c(c1)N)F 7a_100012017239_100000210202 [1,1,0,0,0,0|0,1,0]=3 7599 B11R1.192 CCOc1ccc(c(c1)N)N 34a_100025771000_100000210202 [1,1,0,0,0,0|1,0,0]=3 7600 B11R1.192 CCOc1ccc(c(c1)O)C 271570a_203496583355_100011099959 [1,1,0,0,0,0|1,0,0]=3 7601 B11R1.192 CCOc1ccc(c(n1)C)Br 34a_100000691680_100000210202 [1,1,0,0,0,0|1,1,0]=4 7602 B11R1.192 CCOc1ccc(c(n1)C)Cl 34a_200009863735_100000210202 [1,1,0,0,0,0|1,0,0]=3 7603 B11R1.192 CCOc1ccc(c(n1)F)Br 34a_100009879308_100000210202 [1,1,0,0,0,0|1,1,0]=4 7604 B11R1.192 CCOc1cnc(c(c1)Br)C 34a_100009819603_100000210202 [1,1,0,0,0,0|2,0,0]=4 7605 B11R1.192 CCOc1cnc(c(c1)Br)C 7a_100009819603_100000210202 [1,1,0,0,0,0|2,0,0]=4 7606 B11R1.192 CCOc1cnc(c(c1)Br)Cl 34a_100012356455_100000210202 [1,1,0,0,0,0|1,0,0]=3 7607 B11R1.192 CCOc1cnc(c(c1)Br)Cl 7a_100012356455_100000210202 [1,1,0,0,0,0|1,0,0]=3 7608 B11R1.192 CCOc1cnc(c(c1)Br)F 34a_100009817267_100000210202 [1,1,0,0,0,0|1,1,0]=4 7609 B11R1.192 CCOc1cnc(c(c1)Br)F 7a_100009817267_100000210202 [1,1,0,0,0,0|1,1,0]=4 7610 B11R1.192 CCOc1cnc(c(c1)C)Br 34a_100012000486_100000210202 [1,1,0,0,0,0|1,1,0]=4 7611 B11R1.192 CCOc1cnc(c(c1)C)Br 7a_100012000486_100000210202 [1,1,0,0,0,0|1,1,0]=4 7612 B11R1.192 CCOc1cnc(c(c1)C)C 34a_100009854398_100000210202 [1,1,0,0,0,0|2,0,0]=4 7613 B11R1.192 CCOc1cnc(c(c1)C)C 7a_100009854398_100000210202 [1,1,0,0,0,0|2,0,0]=4 7614 B11R1.192 CCOc1cnc(c(c1)C)Cl 34a_100012002680_100000210202 [1,1,0,0,0,0|1,0,0]=3 7615 B11R1.192 CCOc1cnc(c(c1)C)Cl 7a_100012002680_100000210202 [1,1,0,0,0,0|1,0,0]=3 7616 B11R1.192 CCOc1cnc(c(c1)C)F 34a_100000094615_100000210202 [1,1,0,0,0,0|1,1,0]=4 7617 B11R1.192 CCOc1cnc(c(c1)C)F 7a_100000094615_100000210202 [1,1,0,0,0,0|1,1,0]=4 7618 B11R1.192 CCOc1cnc(c(c1)Cl)Br 34a_100010209684_100000210202 [1,1,0,0,0,0|1,1,0]=4 7619 B11R1.192 CCOc1cnc(c(c1)Cl)Br 7a_100010209684_100000210202 [1,1,0,0,0,0|1,1,0]=4 7620 B11R1.192 CCOc1cnc(c(c1)Cl)Cl 34a_100000094354_100000210202 [1,1,0,0,0,0|1,0,0]=3 7621 B11R1.192 CCOc1cnc(c(c1)Cl)Cl 7a_100000094354_100000210202 [1,1,0,0,0,0|1,0,0]=3 7622 B11R1.192 CCOc1cnc(c(c1)Cl)F 34a_100000087088_100000210202 [1,1,0,0,0,0|1,1,0]=4 7623 B11R1.192 CCOc1cnc(c(c1)Cl)F 7a_100000087088_100000210202 [1,1,0,0,0,0|1,1,0]=4 7624 B11R1.192 CCOc1cnc(c(c1)F)Cl 34a_100000063512_100000210202 [1,1,0,0,0,0|1,0,0]=3 7625 B11R1.192 CCOc1cnc(c(c1)F)Cl 7a_100000063512_100000210202 [1,1,0,0,0,0|1,0,0]=3 7626 B11R1.192 CCSc1ccc(c(c1)Br)Br 62a_100000210202_100012356285 [1,1,0,0,0,0|0,2,0]=4 7627 B11R1.192 CCSc1ccc(c(c1)Br)Br 62a_100012356285_100000210202 [1,1,0,0,0,0|0,2,0]=4 7628 B11R1.192 CCSc1ccc(c(c1)Br)C 62a_100000210202_100011847877 [1,1,0,0,0,0|1,1,0]=4 7629 B11R1.192 CCSc1ccc(c(c1)Br)C 62a_100011847877_100000210202 [1,1,0,0,0,0|1,1,0]=4 7630 B11R1.192 CCSc1ccc(c(c1)Br)Cl 62a_100000210202_100012353702 [1,1,0,0,0,0|0,1,0]=3 7631 B11R1.192 CCSc1ccc(c(c1)Br)Cl 62a_100012353702_100000210202 [1,1,0,0,0,0|0,1,0]=3 7632 B11R1.192 CCSc1ccc(c(c1)Br)F 62a_100000210202_100012047266 [1,1,0,0,0,0|0,2,0]=4 7633 B11R1.192 CCSc1ccc(c(c1)Br)F 62a_100012047266_100000210202 [1,1,0,0,0,0|0,2,0]=4 7634 B11R1.192 CCSc1ccc(c(c1)Br)N 62a_100000210202_100000750455 [1,1,0,0,0,0|1,1,0]=4 7635 B11R1.192 CCSc1ccc(c(c1)Br)N 62a_100000750455_100000210202 [1,1,0,0,0,0|1,1,0]=4 7636 B11R1.192 CCSc1ccc(c(c1)Br)O 62a_100000210202_100012361655 [1,1,0,0,0,0|1,1,0]=4 7637 B11R1.192 CCSc1ccc(c(c1)Br)O 62a_100012361655_100000210202 [1,1,0,0,0,0|1,1,0]=4 7638 B11R1.192 CCSc1ccc(c(c1)C)Br 62a_100000210202_100009813585 [1,1,0,0,0,0|0,2,0]=4 7639 B11R1.192 CCSc1ccc(c(c1)C)Br 62a_100009813585_100000210202 [1,1,0,0,0,0|0,2,0]=4 7640 B11R1.192 CCSc1ccc(c(c1)C)C 62a_100000210202_100011215607 [1,1,0,0,0,0|1,1,0]=4 7641 B11R1.192 CCSc1ccc(c(c1)C)C 62a_100011215607_100000210202 [1,1,0,0,0,0|1,1,0]=4 7642 B11R1.192 CCSc1ccc(c(c1)C)Cl 62a_100000049509_100000210202 [1,1,0,0,0,0|0,1,0]=3 7643 B11R1.192 CCSc1ccc(c(c1)C)Cl 62a_100000210202_100000049509 [1,1,0,0,0,0|0,1,0]=3 7644 B11R1.192 CCSc1ccc(c(c1)C)F 62a_100000210202_100011218330 [1,1,0,0,0,0|0,2,0]=4 7645 B11R1.192 CCSc1ccc(c(c1)C)F 62a_100011218330_100000210202 [1,1,0,0,0,0|0,2,0]=4 7646 B11R1.192 CCSc1ccc(c(c1)C)N 62a_100000210202_100000211769 [1,1,0,0,0,0|1,1,0]=4 7647 B11R1.192 CCSc1ccc(c(c1)C)N 62a_100000211769_100000210202 [1,1,0,0,0,0|1,1,0]=4 7648 B11R1.192 CCSc1ccc(c(c1)C)O 62a_100000210202_100000186361 [1,1,0,0,0,0|1,1,0]=4 7649 B11R1.192 CCSc1ccc(c(c1)Cl)Br 62a_100000210202_100012047281 [1,1,0,0,0,0|0,2,0]=4 7650 B11R1.192 CCSc1ccc(c(c1)Cl)Br 62a_100012047281_100000210202 [1,1,0,0,0,0|0,2,0]=4 7651 B11R1.192 CCSc1ccc(c(c1)Cl)C 62a_100000210202_100011216363 [1,1,0,0,0,0|1,1,0]=4 7652 B11R1.192 CCSc1ccc(c(c1)Cl)C 62a_100011216363_100000210202 [1,1,0,0,0,0|1,1,0]=4 7653 B11R1.192 CCSc1ccc(c(c1)Cl)Cl 62a_100000210202_100011214914 [1,1,0,0,0,0|0,1,0]=3 7654 B11R1.192 CCSc1ccc(c(c1)Cl)Cl 62a_100011214914_100000210202 [1,1,0,0,0,0|0,1,0]=3 7655 B11R1.192 CCSc1ccc(c(c1)Cl)F 62a_100000210202_100011215976 [1,1,0,0,0,0|0,2,0]=4 7656 B11R1.192 CCSc1ccc(c(c1)Cl)F 62a_100011215976_100000210202 [1,1,0,0,0,0|0,2,0]=4 7657 B11R1.192 CCSc1ccc(c(c1)Cl)N 62a_100000210202_100011218065 [1,1,0,0,0,0|1,1,0]=4 7658 B11R1.192 CCSc1ccc(c(c1)Cl)N 62a_100011218065_100000210202 [1,1,0,0,0,0|1,1,0]=4 7659 B11R1.192 CCSc1ccc(c(c1)Cl)O 62a_100000210202_100012360047 [1,1,0,0,0,0|1,1,0]=4 7660 B11R1.192 CCSc1ccc(c(c1)Cl)O 62a_100012360047_100000210202 [1,1,0,0,0,0|1,1,0]=4 7661 B11R1.192 CCSc1ccc(c(c1)F)Br 62a_100000210202_100000685389 [1,1,0,0,0,0|0,2,0]=4 7662 B11R1.192 CCSc1ccc(c(c1)F)Br 62a_100000685389_100000210202 [1,1,0,0,0,0|0,2,0]=4 7663 B11R1.192 CCSc1ccc(c(c1)F)C 62a_100000210202_100000720648 [1,1,0,0,0,0|1,1,0]=4 7664 B11R1.192 CCSc1ccc(c(c1)F)C 62a_100000720648_100000210202 [1,1,0,0,0,0|1,1,0]=4 7665 B11R1.192 CCSc1ccc(c(c1)F)Cl 62a_100000210202_100011216805 [1,1,0,0,0,0|0,1,0]=3 7666 B11R1.192 CCSc1ccc(c(c1)F)Cl 62a_100011216805_100000210202 [1,1,0,0,0,0|0,1,0]=3 7667 B11R1.192 CCSc1ccc(c(c1)F)F 62a_100000210202_100000703953 [1,1,0,0,0,0|0,2,0]=4 7668 B11R1.192 CCSc1ccc(c(c1)F)F 62a_100000703953_100000210202 [1,1,0,0,0,0|0,2,0]=4 7669 B11R1.192 CCSc1ccc(c(c1)F)N 62a_100000210202_100011215594 [1,1,0,0,0,0|1,1,0]=4 7670 B11R1.192 CCSc1ccc(c(c1)F)N 62a_100011215594_100000210202 [1,1,0,0,0,0|1,1,0]=4 7671 B11R1.192 CCSc1ccc(c(c1)F)O 62a_100000185481_100000210202 [1,1,0,0,0,0|1,1,0]=4 7672 B11R1.192 CCSc1ccc(c(c1)F)O 62a_100000210202_100000185481 [1,1,0,0,0,0|1,1,0]=4 7673 B11R1.192 CCSc1ccc(c(c1)N)Br 62a_100000210202_100000750456 [1,1,0,0,0,0|0,2,0]=4 7674 B11R1.192 CCSc1ccc(c(c1)N)Br 62a_100000750456_100000210202 [1,1,0,0,0,0|0,2,0]=4 7675 B11R1.192 CCSc1ccc(c(c1)N)C 62a_100000210202_100000761890 [1,1,0,0,0,0|1,1,0]=4 7676 B11R1.192 CCSc1ccc(c(c1)N)C 62a_100000761890_100000210202 [1,1,0,0,0,0|1,1,0]=4 7677 B11R1.192 CCSc1ccc(c(c1)N)Cl 62a_100000210202_200000761891 [1,1,0,0,0,0|0,1,0]=3 7678 B11R1.192 CCSc1ccc(c(c1)N)Cl 62a_200000761891_100000210202 [1,1,0,0,0,0|0,1,0]=3 7679 B11R1.192 CCSc1ccc(c(c1)N)F 62a_100000210202_100000740924 [1,1,0,0,0,0|0,2,0]=4 7680 B11R1.192 CCSc1ccc(c(c1)N)F 62a_100000740924_100000210202 [1,1,0,0,0,0|0,2,0]=4 7681 B11R1.192 CCSc1ccc(c(c1)N)N 62a_100000210202_100011534411 [1,1,0,0,0,0|1,1,0]=4 7682 B11R1.192 CCSc1ccc(c(c1)N)N 62a_100000741789_100000210202 [1,1,0,0,0,0|1,1,0]=4 7683 B11R1.192 CCSc1ccc(c(c1)N)O 62a_100000210202_100000752626 [1,1,0,0,0,0|1,1,0]=4 7684 B11R1.192 CCSc1ccc(c(c1)N)O 62a_100000752626_100000210202 [1,1,0,0,0,0|1,1,0]=4 7685 B11R1.192 CCSc1ccc(c(c1)O)Br 62a_100000210202_100012356990 [1,1,0,0,0,0|0,2,0]=4 7686 B11R1.192 CCSc1ccc(c(c1)O)Br 62a_100012356990_100000210202 [1,1,0,0,0,0|0,2,0]=4 7687 B11R1.192 CCSc1ccc(c(c1)O)C 62a_100000210202_100000685420 [1,1,0,0,0,0|1,1,0]=4 7688 B11R1.192 CCSc1ccc(c(c1)O)C 62a_100000685420_100000210202 [1,1,0,0,0,0|1,1,0]=4 7689 B11R1.192 CCSc1ccc(c(c1)O)Cl 62a_100000210202_100011356854 [1,1,0,0,0,0|0,1,0]=3 7690 B11R1.192 CCSc1ccc(c(c1)O)Cl 62a_100011356854_100000210202 [1,1,0,0,0,0|0,1,0]=3 7691 B11R1.192 CCSc1ccc(c(c1)O)F 62a_100000210202_100000686035 [1,1,0,0,0,0|0,2,0]=4 7692 B11R1.192 CCSc1ccc(c(c1)O)F 62a_100000686035_100000210202 [1,1,0,0,0,0|0,2,0]=4 7693 B11R1.192 CCSc1ccc(c(c1)O)N 62a_100000210202_100000739049 [1,1,0,0,0,0|1,1,0]=4 7694 B11R1.192 CCSc1ccc(c(c1)O)N 62a_100000739049_100000210202 [1,1,0,0,0,0|1,1,0]=4 7695 B11R1.192 CCSc1ccc(c(c1)O)O 62a_100000210202_100009813601 [1,1,0,0,0,0|1,1,0]=4 7696 B11R1.192 CCSc1cnc(c(c1)Br)Cl 62a_100000210202_100010172733 [1,1,0,0,0,0|1,1,0]=4 7697 B11R1.192 CCSc1cnc(c(c1)Br)Cl 62a_100010172733_100000210202 [1,1,0,0,0,0|1,1,0]=4 7698 B11R1.192 CCSc1cnc(c(c1)C)Cl 62a_100000210202_100009922867 [1,1,0,0,0,0|1,1,0]=4 7699 B11R1.192 CCSc1cnc(c(c1)C)Cl 62a_100009922867_100000210202 [1,1,0,0,0,0|1,1,0]=4 7700 B11R1.192 CCSc1cnc(c(c1)N)Cl 62a_100000210202_100009828400 [1,1,0,0,0,0|1,1,0]=4 7701 B11R1.192 CCSc1cnc(c(c1)N)Cl 62a_100009828400_100000210202 [1,1,0,0,0,0|1,1,0]=4 7702 B11R1.192 CNCc1ccc(c(c1)Br)Cl 207a_100102657272_100000693810 [1,1,0,0,0,0|2,0,0]=4 7703 B11R1.192 CNCc1ccc(c(c1)Br)Cl 2230a_100012349490_200000210301 [1,1,0,0,0,0|2,0,0]=4 7704 B11R1.192 CNCc1ccc(c(c1)Br)Cl 2230a_106832991635_100012353894 [1,1,0,0,0,0|2,0,0]=4 7705 B11R1.192 CNCc1ccc(c(c1)Br)Cl 26a_100102657272_100011933957 [1,1,0,0,0,0|2,0,0]=4 7706 B11R1.192 CNCc1ccc(c(c1)Br)Cl 270004a_106832991635_100000693810 [1,1,0,0,0,0|2,0,0]=4 7707 B11R1.192 CNCc1ccc(c(c1)Br)Cl 34a_100012349490_200000210301 [1,1,0,0,0,0|2,0,0]=4 7708 B11R1.192 CNCc1ccc(c(c1)Br)Cl 34a_100102657272_100012353894 [1,1,0,0,0,0|2,0,0]=4 7709 B11R1.192 CNCc1ccc(c(c1)Br)Cl 7a_106832991635_100012353894 [1,1,0,0,0,0|2,0,0]=4 7710 B11R1.192 CNCc1ccc(c(c1)C)Cl 207a_100102657272_100000698814 [1,1,0,0,0,0|2,0,0]=4 7711 B11R1.192 CNCc1ccc(c(c1)C)Cl 2230a_106832991635_100012184735 [1,1,0,0,0,0|2,0,0]=4 7712 B11R1.192 CNCc1ccc(c(c1)C)Cl 26a_100102657272_100000211092 [1,1,0,0,0,0|2,0,0]=4 7713 B11R1.192 CNCc1ccc(c(c1)C)Cl 270004a_106832991635_100000698814 [1,1,0,0,0,0|2,0,0]=4 7714 B11R1.192 CNCc1ccc(c(c1)C)Cl 34a_100102657272_100012184735 [1,1,0,0,0,0|2,0,0]=4 7715 B11R1.192 CNCc1ccc(c(c1)C)Cl 7a_106832991635_100012184735 [1,1,0,0,0,0|2,0,0]=4 7716 B11R1.192 CNCc1ccc(c(c1)Cl)Cl 207a_100102657272_100000188533 [1,1,0,0,0,0|2,0,0]=4 7717 B11R1.192 CNCc1ccc(c(c1)Cl)Cl 2230a_100000174881_200000210301 [1,1,0,0,0,0|2,0,0]=4 7718 B11R1.192 CNCc1ccc(c(c1)Cl)Cl 2230a_106832991635_100000184707 [1,1,0,0,0,0|2,0,0]=4 7719 B11R1.192 CNCc1ccc(c(c1)Cl)Cl 26a_100102657272_100000211054 [1,1,0,0,0,0|2,0,0]=4 7720 B11R1.192 CNCc1ccc(c(c1)Cl)Cl 270004a_106832991635_100000188533 [1,1,0,0,0,0|2,0,0]=4 7721 B11R1.192 CNCc1ccc(c(c1)Cl)Cl 34a_100000174881_200000210301 [1,1,0,0,0,0|2,0,0]=4 7722 B11R1.192 CNCc1ccc(c(c1)Cl)Cl 34a_100102657272_100000184707 [1,1,0,0,0,0|2,0,0]=4 7723 B11R1.192 CNCc1ccc(c(c1)Cl)Cl 7a_106832991635_100000184707 [1,1,0,0,0,0|2,0,0]=4 7724 B11R1.192 CNCc1ccc(c(c1)F)Cl 207a_100102657272_100000745630 [1,1,0,0,0,0|2,0,0]=4 7725 B11R1.192 CNCc1ccc(c(c1)F)Cl 2230a_100011219866_200000210301 [1,1,0,0,0,0|2,0,0]=4 7726 B11R1.192 CNCc1ccc(c(c1)F)Cl 2230a_106832991635_100000716492 [1,1,0,0,0,0|2,0,0]=4 7727 B11R1.192 CNCc1ccc(c(c1)F)Cl 26a_100102657272_100000691581 [1,1,0,0,0,0|2,0,0]=4 7728 B11R1.192 CNCc1ccc(c(c1)F)Cl 270004a_106832991635_100000745630 [1,1,0,0,0,0|2,0,0]=4 7729 B11R1.192 CNCc1ccc(c(c1)F)Cl 34a_100011219866_200000210301 [1,1,0,0,0,0|2,0,0]=4 7730 B11R1.192 CNCc1ccc(c(c1)F)Cl 34a_100102657272_100011519011 [1,1,0,0,0,0|2,0,0]=4 7731 B11R1.192 CNCc1ccc(c(c1)F)Cl 7a_106832991635_100000716492 [1,1,0,0,0,0|2,0,0]=4 7732 B11R1.192 CNCc1ccc(c(c1)I)Cl 207a_100102657272_100010209939 [1,1,0,0,0,0|2,0,0]=4 7733 B11R1.192 CNCc1ccc(c(c1)I)Cl 26a_100102657272_100000049588 [1,1,0,0,0,0|2,0,0]=4 7734 B11R1.192 CNCc1ccc(c(c1)I)Cl 270004a_106832991635_100010209939 [1,1,0,0,0,0|2,0,0]=4 7735 B11R1.192 CNCc1ccc(c(c1)O)Cl 34a_100020636435_200000210301 [1,1,0,0,0,0|2,0,0]=4 7736 B11R1.192 COCc1ccc(c(c1)Br)Cl 34a_100012353893_200000210301 [1,1,0,0,0,0|2,0,0]=4 7737 B11R1.192 COCc1ccc(c(c1)Br)Cl 34a_100138415774_100012353894 [1,1,0,0,0,0|2,0,0]=4 7738 B11R1.192 COCc1ccc(c(c1)Br)Cl 7a_100012353893_200000210301 [1,1,0,0,0,0|2,0,0]=4 7739 B11R1.192 COCc1ccc(c(c1)C)Cl 34a_100138415774_100012184735 [1,1,0,0,0,0|2,0,0]=4 7740 B11R1.192 COCc1ccc(c(c1)Cl)Cl 34a_100000211588_200000210301 [1,1,0,0,0,0|2,0,0]=4 7741 B11R1.192 COCc1ccc(c(c1)Cl)Cl 34a_100138415774_100000184707 [1,1,0,0,0,0|2,0,0]=4 7742 B11R1.192 COCc1ccc(c(c1)Cl)Cl 7a_100000211588_200000210301 [1,1,0,0,0,0|2,0,0]=4 7743 B11R1.192 COCc1ccc(c(c1)F)Cl 34a_100011218299_200000210301 [1,1,0,0,0,0|2,0,0]=4 7744 B11R1.192 COCc1ccc(c(c1)F)Cl 34a_100138415774_100011519011 [1,1,0,0,0,0|2,0,0]=4 7745 B11R1.192 COCc1ccc(c(c1)F)Cl 7a_100011218299_200000210301 [1,1,0,0,0,0|2,0,0]=4 7746 B11R1.192 COCc1ccc(c(c1)N)Cl 34a_106256033963_200000210301 [1,1,0,0,0,0|2,0,0]=4 7747 B11R1.192 CSCc1ccc(c(c1)Br)Cl 62a_100012353894_200000210301 [1,1,0,0,0,0|2,0,0]=4 7748 B11R1.192 CSCc1ccc(c(c1)Br)Cl 62a_200000210301_100012353894 [1,1,0,0,0,0|2,0,0]=4 7749 B11R1.192 CSCc1ccc(c(c1)C)Cl 62a_100012184735_200000210301 [1,1,0,0,0,0|2,0,0]=4 7750 B11R1.192 CSCc1ccc(c(c1)C)Cl 62a_200000210301_100012184735 [1,1,0,0,0,0|2,0,0]=4 7751 B11R1.192 CSCc1ccc(c(c1)Cl)Cl 62a_100000184707_200000210301 [1,1,0,0,0,0|2,0,0]=4 7752 B11R1.192 CSCc1ccc(c(c1)Cl)Cl 62a_200000210301_100000184707 [1,1,0,0,0,0|2,0,0]=4 7753 B11R1.192 CSCc1ccc(c(c1)F)Cl 62a_100000716492_200000210301 [1,1,0,0,0,0|2,0,0]=4 7754 B11R1.192 CSCc1ccc(c(c1)F)Cl 62a_200000210301_100000716492 [1,1,0,0,0,0|2,0,0]=4 7755 B11R1.192 Cc1cc(ccc1Br)OCF 34a_100000690111_100015361967 [1,1,0,0,0,0|1,1,0]=4 7756 B11R1.192 Cc1cc(ccc1Br)OCF 7a_100000690111_100015361967 [1,1,0,0,0,0|1,1,0]=4 7757 B11R1.192 Cc1cc(ccc1Cl)CS[13CH3] 62a_100012184735_200025704644 [1,1,0,0,0,0|2,0,0]=4 7758 B11R1.192 Cc1cc(ccc1Cl)CS[13CH3] 62a_200025704644_100012184735 [1,1,0,0,0,0|2,0,0]=4 7759 B11R1.192 Cc1cc(ccc1Cl)NCF 34a_100000187808_100015361967 [1,1,0,0,0,0|2,0,0]=4 7760 B11R1.192 Cc1cc(ccc1Cl)NCF 7a_100000187808_100015361967 [1,1,0,0,0,0|2,0,0]=4 7761 B11R1.192 Cc1cc(ccc1Cl)OCF 34a_100000211092_100015361967 [1,1,0,0,0,0|1,0,0]=3 7762 B11R1.192 Cc1cc(ccc1Cl)OCF 7a_100000211092_100015361967 [1,1,0,0,0,0|1,0,0]=3 7763 B11R1.192 Cc1cc(ccc1Cl)SCF 62a_100000049509_100015361967 [1,1,0,0,0,0|1,1,0]=4 7764 B11R1.192 Cc1cc(ccc1Cl)SCF 62a_100015361967_100000049509 [1,1,0,0,0,0|1,1,0]=4 7765 B11R1.192 Cc1cc(ccc1F)OCF 34a_100000751312_100015361967 [1,1,0,0,0,0|1,1,0]=4 7766 B11R1.192 Cc1cc(ccc1F)OCF 7a_100000751312_100015361967 [1,1,0,0,0,0|1,1,0]=4 7767 B11R1.192 Cc1cc(ccc1I)OCF 34a_100000729255_100015361967 [1,1,0,0,0,0|1,1,0]=4 7768 B11R1.192 Cc1cc(ccc1I)OCF 7a_100000729255_100015361967 [1,1,0,0,0,0|1,1,0]=4 7769 B11R1.192 Cc1cc(ccc1N)OCF 34a_100000756630_100015361967 [1,1,0,0,0,0|2,0,0]=4 7770 B11R1.192 Cc1cc(ccc1N)OCF 7a_100000756630_100015361967 [1,1,0,0,0,0|2,0,0]=4 7771 B11R1.192 Cc1cc(cnc1Cl)OCF 34a_100012002680_100015361967 [1,1,0,0,0,0|2,0,0]=4 7772 B11R1.192 Cc1cc(cnc1Cl)OCF 7a_100012002680_100015361967 [1,1,0,0,0,0|2,0,0]=4 7773 B11R1.192 Cc1cc(ncc1Cl)OCF 34a_200000085746_100015361967 [1,1,0,0,0,0|2,0,0]=4 7774 B11R1.192 Cc1ccc(cc1Br)OCF 34a_100011380479_100015361967 [1,1,0,0,0,0|2,0,0]=4 7775 B11R1.192 Cc1ccc(cc1Br)OCF 7a_100011380479_100015361967 [1,1,0,0,0,0|2,0,0]=4 7776 B11R1.192 Cc1ccc(cc1C)OCF 34a_100000210932_100015361967 [1,1,0,0,0,0|2,0,0]=4 7777 B11R1.192 Cc1ccc(cc1C)OCF 7a_100000210932_100015361967 [1,1,0,0,0,0|2,0,0]=4 7778 B11R1.192 Cc1ccc(cc1Cl)OCF 34a_100011265682_100015361967 [1,1,0,0,0,0|2,0,0]=4 7779 B11R1.192 Cc1ccc(cc1Cl)OCF 7a_100011265682_100015361967 [1,1,0,0,0,0|2,0,0]=4 7780 B11R1.192 Cc1ccc(cc1F)OCF 34a_100000722560_100015361967 [1,1,0,0,0,0|2,0,0]=4 7781 B11R1.192 Cc1ccc(cc1F)OCF 7a_100000722560_100015361967 [1,1,0,0,0,0|2,0,0]=4 7782 B11R1.192 Cc1ccc(cc1N)OCF 34a_100011216113_100015361967 [1,1,0,0,0,0|2,0,0]=4 7783 B11R1.192 Cc1ccc(cc1N)OCF 7a_100011216113_100015361967 [1,1,0,0,0,0|2,0,0]=4 7784 B11R1.192 Cc1nc(ccc1Cl)OCF 34a_200009863735_100015361967 [1,1,0,0,0,0|2,0,0]=4 7785 B11R1.192 FCNc1ccc(c(c1)Br)Cl 34a_100000686031_100015361967 [1,1,0,0,0,0|2,0,0]=4 7786 B11R1.192 FCNc1ccc(c(c1)Cl)Cl 34a_100000184108_100015361967 [1,1,0,0,0,0|2,0,0]=4 7787 B11R1.192 FCNc1ccc(c(c1)F)Cl 34a_100000739366_100015361967 [1,1,0,0,0,0|2,0,0]=4 7788 B11R1.192 FCNc1ccc(c(c1)F)Cl 7a_100000739366_100015361967 [1,1,0,0,0,0|2,0,0]=4 7789 B11R1.192 FCNc1ccc(c(c1)I)Cl 34a_100012360549_100015361967 [1,1,0,0,0,0|2,0,0]=4 7790 B11R1.192 FCOc1cc(c(cn1)Cl)Cl 34a_200000099200_100015361967 [1,1,0,0,0,0|2,0,0]=4 7791 B11R1.192 FCOc1ccc(c(c1)Br)Cl 34a_100011933957_100015361967 [1,1,0,0,0,0|1,0,0]=3 7792 B11R1.192 FCOc1ccc(c(c1)Br)Cl 7a_100011933957_100015361967 [1,1,0,0,0,0|1,0,0]=3 7793 B11R1.192 FCOc1ccc(c(c1)Br)F 34a_100000693481_100015361967 [1,1,0,0,0,0|1,1,0]=4 7794 B11R1.192 FCOc1ccc(c(c1)Br)F 7a_100000693481_100015361967 [1,1,0,0,0,0|1,1,0]=4 7795 B11R1.192 FCOc1ccc(c(c1)Br)I 34a_100000701344_100015361967 [1,1,0,0,0,0|1,1,0]=4 7796 B11R1.192 FCOc1ccc(c(c1)Br)I 7a_100000701344_100015361967 [1,1,0,0,0,0|1,1,0]=4 7797 B11R1.192 FCOc1ccc(c(c1)Cl)Br 34a_100011215161_100015361967 [1,1,0,0,0,0|1,1,0]=4 7798 B11R1.192 FCOc1ccc(c(c1)Cl)Br 7a_100011215161_100015361967 [1,1,0,0,0,0|1,1,0]=4 7799 B11R1.192 FCOc1ccc(c(c1)Cl)Cl 34a_100000211054_100015361967 [1,1,0,0,0,0|1,0,0]=3 7800 B11R1.192 FCOc1ccc(c(c1)Cl)Cl 7a_100000211054_100015361967 [1,1,0,0,0,0|1,0,0]=3 7801 B11R1.192 FCOc1ccc(c(c1)Cl)F 34a_100000211030_100015361967 [1,1,0,0,0,0|1,1,0]=4 7802 B11R1.192 FCOc1ccc(c(c1)Cl)F 7a_100000211030_100015361967 [1,1,0,0,0,0|1,1,0]=4 7803 B11R1.192 FCOc1ccc(c(c1)Cl)I 34a_100000047559_100015361967 [1,1,0,0,0,0|1,1,0]=4 7804 B11R1.192 FCOc1ccc(c(c1)Cl)I 7a_100000047559_100015361967 [1,1,0,0,0,0|1,1,0]=4 7805 B11R1.192 FCOc1ccc(c(c1)F)Br 34a_100000755031_100015361967 [1,1,0,0,0,0|1,1,0]=4 7806 B11R1.192 FCOc1ccc(c(c1)F)Br 7a_100000755031_100015361967 [1,1,0,0,0,0|1,1,0]=4 7807 B11R1.192 FCOc1ccc(c(c1)F)Cl 34a_100000691581_100015361967 [1,1,0,0,0,0|1,0,0]=3 7808 B11R1.192 FCOc1ccc(c(c1)F)Cl 7a_100000691581_100015361967 [1,1,0,0,0,0|1,0,0]=3 7809 B11R1.192 FCOc1ccc(c(c1)F)F 34a_100000181275_100015361967 [1,1,0,0,0,0|1,1,0]=4 7810 B11R1.192 FCOc1ccc(c(c1)F)F 7a_100000181275_100015361967 [1,1,0,0,0,0|1,1,0]=4 7811 B11R1.192 FCOc1ccc(c(c1)F)I 34a_100009990212_100015361967 [1,1,0,0,0,0|1,1,0]=4 7812 B11R1.192 FCOc1ccc(c(c1)F)I 7a_100009990212_100015361967 [1,1,0,0,0,0|1,1,0]=4 7813 B11R1.192 FCOc1ccc(c(c1)I)Br 34a_100012339312_100015361967 [1,1,0,0,0,0|1,1,0]=4 7814 B11R1.192 FCOc1ccc(c(c1)I)Br 7a_100012339312_100015361967 [1,1,0,0,0,0|1,1,0]=4 7815 B11R1.192 FCOc1ccc(c(c1)I)Cl 34a_100000049588_100015361967 [1,1,0,0,0,0|1,0,0]=3 7816 B11R1.192 FCOc1ccc(c(c1)I)Cl 7a_100000049588_100015361967 [1,1,0,0,0,0|1,0,0]=3 7817 B11R1.192 FCOc1cnc(c(c1)Br)Cl 34a_100012356455_100015361967 [1,1,0,0,0,0|2,0,0]=4 7818 B11R1.192 FCOc1cnc(c(c1)Br)Cl 7a_100012356455_100015361967 [1,1,0,0,0,0|2,0,0]=4 7819 B11R1.192 FCOc1cnc(c(c1)Cl)Cl 34a_100000094354_100015361967 [1,1,0,0,0,0|2,0,0]=4 7820 B11R1.192 FCOc1cnc(c(c1)Cl)Cl 7a_100000094354_100015361967 [1,1,0,0,0,0|2,0,0]=4 7821 B11R1.192 FCOc1cnc(c(c1)F)Cl 34a_100000063512_100015361967 [1,1,0,0,0,0|2,0,0]=4 7822 B11R1.192 FCOc1cnc(c(c1)F)Cl 7a_100000063512_100015361967 [1,1,0,0,0,0|2,0,0]=4 7823 B11R1.192 FCSc1ccc(c(c1)Br)Cl 62a_100012353702_100015361967 [1,1,0,0,0,0|1,1,0]=4 7824 B11R1.192 FCSc1ccc(c(c1)Br)Cl 62a_100015361967_100012353702 [1,1,0,0,0,0|1,1,0]=4 7825 B11R1.192 FCSc1ccc(c(c1)Cl)Cl 62a_100011214914_100015361967 [1,1,0,0,0,0|1,1,0]=4 7826 B11R1.192 FCSc1ccc(c(c1)Cl)Cl 62a_100015361967_100011214914 [1,1,0,0,0,0|1,1,0]=4 7827 B11R1.192 FCSc1ccc(c(c1)F)Cl 62a_100011216805_100015361967 [1,1,0,0,0,0|1,1,0]=4 7828 B11R1.192 FCSc1ccc(c(c1)F)Cl 62a_100015361967_100011216805 [1,1,0,0,0,0|1,1,0]=4 7829 B11R1.192 Nc1cc(ccc1Br)OCF 34a_100011999798_100015361967 [1,1,0,0,0,0|1,1,0]=4 7830 B11R1.192 Nc1cc(ccc1Br)OCF 7a_100011999798_100015361967 [1,1,0,0,0,0|1,1,0]=4 7831 B11R1.192 Nc1cc(ccc1Cl)OCF 34a_100011934297_100015361967 [1,1,0,0,0,0|1,0,0]=3 7832 B11R1.192 Nc1cc(ccc1Cl)SCF 62a_100015361967_200000761891 [1,1,0,0,0,0|1,1,0]=4 7833 B11R1.192 Nc1cc(ccc1Cl)SCF 62a_200000761891_100015361967 [1,1,0,0,0,0|1,1,0]=4 7834 B11R1.192 Nc1cc(ccc1F)OCF 34a_100012017239_100015361967 [1,1,0,0,0,0|1,1,0]=4 7835 B11R1.192 Nc1cc(ccc1F)OCF 7a_100012017239_100015361967 [1,1,0,0,0,0|1,1,0]=4 7836 B11R1.192 Nc1ccc(cc1Br)OCF 34a_100012001276_100015361967 [1,1,0,0,0,0|2,0,0]=4 7837 B11R1.192 Nc1ccc(cc1Br)OCF 7a_100012001276_100015361967 [1,1,0,0,0,0|2,0,0]=4 7838 B11R1.192 Nc1ccc(cc1Cl)OCF 34a_100011215599_100015361967 [1,1,0,0,0,0|2,0,0]=4 7839 B11R1.192 Nc1ccc(cc1Cl)OCF 7a_100011215599_100015361967 [1,1,0,0,0,0|2,0,0]=4 7840 B11R1.192 Nc1ccc(cc1F)OCF 34a_100000759473_100015361967 [1,1,0,0,0,0|2,0,0]=4 7841 B11R1.192 Nc1ccc(cc1F)OCF 7a_100000759473_100015361967 [1,1,0,0,0,0|2,0,0]=4 7842 B11R1.192 Nc1ccc(cc1I)OCF 34a_100010084370_100015361967 [1,1,0,0,0,0|2,0,0]=4 7843 B11R1.192 Nc1ccc(cc1I)OCF 7a_100010084370_100015361967 [1,1,0,0,0,0|2,0,0]=4 7844 B11R1.192 Nc1ccc(cc1N)OCF 34a_100025771000_100015361967 [1,1,0,0,0,0|2,0,0]=4 7845 B11R1.192 OCCc1ccc(c(c1)F)O 271570a_203496583355_100012921202 [1,1,0,0,0,0|1,0,0]=3 7846 B11R1.192 Oc1cc(ccc1Cl)NCF 34a_100011934209_100015361967 [1,1,0,0,0,0|2,0,0]=4 7847 B11R1.192 Oc1cc(ccc1Cl)SCF 62a_100011356854_100015361967 [1,1,0,0,0,0|1,1,0]=4 7848 B11R1.192 Oc1cc(ccc1Cl)SCF 62a_100015361967_100011356854 [1,1,0,0,0,0|1,1,0]=4 7849 B11R1.192 [13CH3]NCc1ccc(c(c1)Br)Cl 2230a_100012349490_200025704644 [1,1,0,0,0,0|2,0,0]=4 7850 B11R1.192 [13CH3]NCc1ccc(c(c1)Br)Cl 34a_100012349490_200025704644 [1,1,0,0,0,0|2,0,0]=4 7851 B11R1.192 [13CH3]NCc1ccc(c(c1)Cl)Cl 2230a_100000174881_200025704644 [1,1,0,0,0,0|2,0,0]=4 7852 B11R1.192 [13CH3]NCc1ccc(c(c1)Cl)Cl 34a_100000174881_200025704644 [1,1,0,0,0,0|2,0,0]=4 7853 B11R1.192 [13CH3]NCc1ccc(c(c1)F)Cl 2230a_100011219866_200025704644 [1,1,0,0,0,0|2,0,0]=4 7854 B11R1.192 [13CH3]NCc1ccc(c(c1)F)Cl 34a_100011219866_200025704644 [1,1,0,0,0,0|2,0,0]=4 7855 B11R1.192 [13CH3]NCc1ccc(c(c1)O)Cl 34a_100020636435_200025704644 [1,1,0,0,0,0|2,0,0]=4 7856 B11R1.192 [13CH3]OCc1ccc(c(c1)Br)Cl 34a_100012353893_200025704644 [1,1,0,0,0,0|2,0,0]=4 7857 B11R1.192 [13CH3]OCc1ccc(c(c1)Br)Cl 7a_100012353893_200025704644 [1,1,0,0,0,0|2,0,0]=4 7858 B11R1.192 [13CH3]OCc1ccc(c(c1)Cl)Cl 34a_100000211588_200025704644 [1,1,0,0,0,0|2,0,0]=4 7859 B11R1.192 [13CH3]OCc1ccc(c(c1)Cl)Cl 7a_100000211588_200025704644 [1,1,0,0,0,0|2,0,0]=4 7860 B11R1.192 [13CH3]OCc1ccc(c(c1)F)Cl 34a_100011218299_200025704644 [1,1,0,0,0,0|2,0,0]=4 7861 B11R1.192 [13CH3]OCc1ccc(c(c1)F)Cl 7a_100011218299_200025704644 [1,1,0,0,0,0|2,0,0]=4 7862 B11R1.192 [13CH3]OCc1ccc(c(c1)N)Cl 34a_106256033963_200025704644 [1,1,0,0,0,0|2,0,0]=4 7863 B11R1.192 [13CH3]SCc1ccc(c(c1)Br)Cl 62a_100012353894_200025704644 [1,1,0,0,0,0|2,0,0]=4 7864 B11R1.192 [13CH3]SCc1ccc(c(c1)Br)Cl 62a_200025704644_100012353894 [1,1,0,0,0,0|2,0,0]=4 7865 B11R1.192 [13CH3]SCc1ccc(c(c1)Cl)Cl 62a_100000184707_200025704644 [1,1,0,0,0,0|2,0,0]=4 7866 B11R1.192 [13CH3]SCc1ccc(c(c1)Cl)Cl 62a_200025704644_100000184707 [1,1,0,0,0,0|2,0,0]=4 7867 B11R1.192 [13CH3]SCc1ccc(c(c1)F)Cl 62a_100000716492_200025704644 [1,1,0,0,0,0|2,0,0]=4 7868 B11R1.192 [13CH3]SCc1ccc(c(c1)F)Cl 62a_200025704644_100000716492 [1,1,0,0,0,0|2,0,0]=4 7869 B11R1.16 CCCC(=O)c1ccccc1 1458a_100000185807_100000210303 [1,1,0,0,0,0|2,0,0]=4 7870 B11R1.16 CCCN(C)c1ccccc1 2230a_100000210012_100000210303 [1,1,0,0,0,0|2,0,0]=4 7871 B11R1.16 CCCN(C)c1ccccc1 2230a_200011218496_200000210301 [1,1,0,0,0,0|2,0,0]=4 7872 B11R1.16 CCCN(C)c1ccccc1 269982a_100000210012_100000210303 [1,1,0,0,0,0|2,0,0]=4 7873 B11R1.16 CCCN(C)c1ccccc1 269982a_200011218496_200000210301 [1,1,0,0,0,0|2,0,0]=4 7874 B11R1.16 CCCN(C)c1ccccc1 34a_100000210012_100000210303 [1,1,0,0,0,0|2,0,0]=4 7875 B11R1.16 CCCN(C)c1ccccc1 34a_200011218496_200000210301 [1,1,0,0,0,0|2,0,0]=4 7876 B11R1.16 CCCN([13CH3])c1ccccc1 2230a_200011218496_200025704644 [1,1,0,0,0,0|2,0,0]=4 7877 B11R1.16 CCCN([13CH3])c1ccccc1 269982a_200011218496_200025704644 [1,1,0,0,0,0|2,0,0]=4 7878 B11R1.16 CCCN([13CH3])c1ccccc1 34a_200011218496_200025704644 [1,1,0,0,0,0|2,0,0]=4 7879 B11R1.16 CN(CCF)c1ccccc1 2230a_100000210012_100011217306 [1,1,0,0,0,0|2,0,0]=4 7880 B11R1.16 CN(CCF)c1ccccc1 269982a_100000210012_100011217306 [1,1,0,0,0,0|2,0,0]=4 7881 B11R1.16 CN(CCF)c1ccccc1 34a_100000210012_100011217306 [1,1,0,0,0,0|2,0,0]=4 7882 B11R1.16 CN(CCO)c1ccccc1 2230a_100000210012_100000211926 [1,1,0,0,0,0|1,0,0]=3 7883 B11R1.16 CN(CCO)c1ccccc1 2230a_100000211345_200000210301 [1,1,0,0,0,0|1,0,0]=3 7884 B11R1.16 CN(CCO)c1ccccc1 269982a_100000210012_100000211926 [1,1,0,0,0,0|1,0,0]=3 7885 B11R1.16 CN(CCO)c1ccccc1 269982a_100000211345_200000210301 [1,1,0,0,0,0|1,0,0]=3 7886 B11R1.16 CN(CCO)c1ccccc1 34a_100000210012_100000211926 [1,1,0,0,0,0|1,0,0]=3 7887 B11R1.16 CN(CCO)c1ccccc1 34a_100000211345_200000210301 [1,1,0,0,0,0|1,0,0]=3 7888 B11R1.16 O=C(CCF)c1ccccc1 1458a_100000185807_100011217306 [1,1,0,0,0,0|2,0,0]=4 7889 B11R1.16 O=C(CCO)c1ccccc1 1458a_100000185807_100000211926 [1,1,0,0,0,0|1,0,0]=3 7890 B11R1.16 [13CH3]N(CCO)c1ccccc1 2230a_100000211345_200025704644 [1,1,0,0,0,0|1,0,0]=3 7891 B11R1.16 [13CH3]N(CCO)c1ccccc1 269982a_100000211345_200025704644 [1,1,0,0,0,0|1,0,0]=3 7892 B11R1.16 [13CH3]N(CCO)c1ccccc1 34a_100000211345_200025704644 [1,1,0,0,0,0|1,0,0]=3 7893 B11R1.17 C#CCOc1ccccc1Br 34a_100000181306_100000184674 [1,1,0,0,0,0|1,0,1]=4 7894 B11R1.17 C#CCOc1ccccc1Br 7a_100000181306_100000038162 [1,1,0,0,0,0|1,0,1]=4 7895 B11R1.17 C#CCOc1ccccc1C 34a_100000210338_100000184674 [1,1,0,0,0,0|1,0,1]=4 7896 B11R1.17 C#CCOc1ccccc1C 7a_100000210338_100000038162 [1,1,0,0,0,0|1,0,1]=4 7897 B11R1.17 C#CCOc1ccccc1Cl 34a_100000210172_100000184674 [1,1,0,0,0,0|1,0,1]=4 7898 B11R1.17 C#CCOc1ccccc1Cl 7a_100000210172_100000038162 [1,1,0,0,0,0|1,0,1]=4 7899 B11R1.17 C#CCOc1ccccc1F 34a_100000210171_100000184674 [1,1,0,0,0,0|1,0,1]=4 7900 B11R1.17 C#CCOc1ccccc1F 7a_100000210171_100000038162 [1,1,0,0,0,0|1,0,1]=4 7901 B11R1.17 C#CCOc1ccccc1I 34a_100000739446_100000184674 [1,1,0,0,0,0|1,0,1]=4 7902 B11R1.17 C#CCOc1ccccc1I 7a_100000739446_100000038162 [1,1,0,0,0,0|1,0,1]=4 7903 B11R1.17 C#CCOc1ccccc1N 34a_100000185747_100000184674 [1,1,0,0,0,0|1,0,1]=4 7904 B11R1.17 C#CCOc1ccccc1N 7a_100000185747_100000038162 [1,1,0,0,0,0|1,0,1]=4 7905 B11R1.17 C=CCOc1ccccc1Br 34a_100000181306_100015514636 [1,1,0,0,0,0|1,0,1]=4 7906 B11R1.17 C=CCOc1ccccc1Br 7a_100000181306_100015514636 [1,1,0,0,0,0|1,0,1]=4 7907 B11R1.17 C=CCOc1ccccc1C 34a_100000210338_100015514636 [1,1,0,0,0,0|1,0,1]=4 7908 B11R1.17 C=CCOc1ccccc1C 7a_100000210338_100015514636 [1,1,0,0,0,0|1,0,1]=4 7909 B11R1.17 C=CCOc1ccccc1Cl 34a_100000210172_100015514636 [1,1,0,0,0,0|1,0,1]=4 7910 B11R1.17 C=CCOc1ccccc1Cl 7a_100000210172_100015514636 [1,1,0,0,0,0|1,0,1]=4 7911 B11R1.17 C=CCOc1ccccc1F 34a_100000210171_100015514636 [1,1,0,0,0,0|1,0,1]=4 7912 B11R1.17 C=CCOc1ccccc1F 7a_100000210171_100015514636 [1,1,0,0,0,0|1,0,1]=4 7913 B11R1.17 C=CCOc1ccccc1I 34a_100000739446_100015514636 [1,1,0,0,0,0|1,0,1]=4 7914 B11R1.17 C=CCOc1ccccc1I 7a_100000739446_100015514636 [1,1,0,0,0,0|1,0,1]=4 7915 B11R1.17 C=CCOc1ccccc1N 34a_100000185747_100015514636 [1,1,0,0,0,0|1,0,1]=4 7916 B11R1.17 C=CCOc1ccccc1N 7a_100000185747_100015514636 [1,1,0,0,0,0|1,0,1]=4 7917 B11R1.17 CCCCc1ccccc1Br 271570a_100020621405_100000695589 [1,1,0,0,0,0|2,0,0]=4 7918 B11R1.17 CCCCc1ccccc1C 271570a_100020621405_100000210755 [1,1,0,0,0,0|2,0,0]=4 7919 B11R1.17 CCCCc1ccccc1Cl 271570a_100020621405_100000764095 [1,1,0,0,0,0|2,0,0]=4 7920 B11R1.17 CCCCc1ccccc1F 271570a_100020621405_100011215700 [1,1,0,0,0,0|2,0,0]=4 7921 B11R1.17 CCCCc1ccccc1N 271570a_100020621405_100000210017 [1,1,0,0,0,0|2,0,0]=4 7922 B11R1.17 CCCCc1ccccc1O 271570a_100020621405_100000739446 [1,1,0,0,0,0|2,0,0]=4 7923 B11R1.17 CCCNc1ccccc1Br 34a_100000210017_100000210303 [1,1,0,0,0,0|2,0,0]=4 7924 B11R1.17 CCCNc1ccccc1C 34a_100015192222_100000210303 [1,1,0,0,0,0|2,0,0]=4 7925 B11R1.17 CCCNc1ccccc1Cl 34a_100000185783_100000210303 [1,1,0,0,0,0|2,0,0]=4 7926 B11R1.17 CCCNc1ccccc1F 34a_100000210422_100000210303 [1,1,0,0,0,0|2,0,0]=4 7927 B11R1.17 CCCNc1ccccc1I 34a_100000210053_100000210303 [1,1,0,0,0,0|2,0,0]=4 7928 B11R1.17 CCCNc1ccccc1O 34a_100000185747_100000210303 [1,1,0,0,0,0|2,0,0]=4 7929 B11R1.17 CCCOc1cccc[n+]1[O-] 7a_100000211761_100000210303 [1,1,0,0,0,0|2,0,0]=4 7930 B11R1.17 CCCOc1ccccc1Br 34a_100000181306_100000210303 [1,1,0,0,0,0|1,0,0]=3 7931 B11R1.17 CCCOc1ccccc1Br 7a_100000181306_100000210303 [1,1,0,0,0,0|1,0,0]=3 7932 B11R1.17 CCCOc1ccccc1C 34a_100000210338_100000210303 [1,1,0,0,0,0|1,0,0]=3 7933 B11R1.17 CCCOc1ccccc1C 7a_100000210338_100000210303 [1,1,0,0,0,0|1,0,0]=3 7934 B11R1.17 CCCOc1ccccc1Cl 34a_100000210172_100000210303 [1,1,0,0,0,0|1,0,0]=3 7935 B11R1.17 CCCOc1ccccc1Cl 7a_100000210172_100000210303 [1,1,0,0,0,0|1,0,0]=3 7936 B11R1.17 CCCOc1ccccc1F 34a_100000210171_100000210303 [1,1,0,0,0,0|1,0,0]=3 7937 B11R1.17 CCCOc1ccccc1F 7a_100000210171_100000210303 [1,1,0,0,0,0|1,0,0]=3 7938 B11R1.17 CCCOc1ccccc1I 34a_100000739446_100000210303 [1,1,0,0,0,0|1,0,0]=3 7939 B11R1.17 CCCOc1ccccc1I 7a_100000739446_100000210303 [1,1,0,0,0,0|1,0,0]=3 7940 B11R1.17 CCCOc1ccccc1N 34a_100000185747_100000210303 [1,1,0,0,0,0|1,0,0]=3 7941 B11R1.17 CCCOc1ccccc1N 7a_100000185747_100000210303 [1,1,0,0,0,0|1,0,0]=3 7942 B11R1.17 CCCOc1ccccc1O 271570a_203496583355_100000174042 [1,1,0,0,0,0|1,0,0]=3 7943 B11R1.17 CCCOc1cccnc1Br 34a_100000744436_100000210303 [1,1,0,0,0,0|2,0,0]=4 7944 B11R1.17 CCCOc1cccnc1Br 7a_100000744436_100000210303 [1,1,0,0,0,0|2,0,0]=4 7945 B11R1.17 CCCOc1cccnc1C 34a_100000745507_100000210303 [1,1,0,0,0,0|2,0,0]=4 7946 B11R1.17 CCCOc1cccnc1C 7a_100000745507_100000210303 [1,1,0,0,0,0|2,0,0]=4 7947 B11R1.17 CCCOc1cccnc1Cl 34a_100000757616_100000210303 [1,1,0,0,0,0|2,0,0]=4 7948 B11R1.17 CCCOc1cccnc1Cl 7a_100000757616_100000210303 [1,1,0,0,0,0|2,0,0]=4 7949 B11R1.17 CCCOc1cccnc1F 34a_100000061740_100000210303 [1,1,0,0,0,0|2,0,0]=4 7950 B11R1.17 CCCOc1cccnc1F 7a_100000061740_100000210303 [1,1,0,0,0,0|2,0,0]=4 7951 B11R1.17 CCCOc1cccnc1I 34a_100000034122_100000210303 [1,1,0,0,0,0|2,0,0]=4 7952 B11R1.17 CCCOc1cccnc1I 7a_100000034122_100000210303 [1,1,0,0,0,0|2,0,0]=4 7953 B11R1.17 CCCOc1cccnc1N 34a_100000211975_100000210303 [1,1,0,0,0,0|2,0,0]=4 7954 B11R1.17 CCCOc1cccnc1N 7a_100000211975_100000210303 [1,1,0,0,0,0|2,0,0]=4 7955 B11R1.17 CCCOc1cccoc1=O 34a_100000077404_100000210303 [1,1,0,0,0,0|2,0,0]=4 7956 B11R1.17 CCCOc1cccoc1=O 7a_100000077404_100000210303 [1,1,0,0,0,0|2,0,0]=4 7957 B11R1.17 CCCOc1ccncc1Br 34a_100011996408_100000210303 [1,1,0,0,0,0|2,0,0]=4 7958 B11R1.17 CCCOc1ccncc1C 34a_100000694293_100000210303 [1,1,0,0,0,0|2,0,0]=4 7959 B11R1.17 CCCOc1ccncc1Cl 34a_100011997054_100000210303 [1,1,0,0,0,0|2,0,0]=4 7960 B11R1.17 CCCOc1ccncc1F 34a_200000081243_100000210303 [1,1,0,0,0,0|2,0,0]=4 7961 B11R1.17 CCCOc1cnccc1C 34a_100011997053_100000210303 [1,1,0,0,0,0|2,0,0]=4 7962 B11R1.17 CCCOc1cnccc1C 7a_100011997053_100000210303 [1,1,0,0,0,0|2,0,0]=4 7963 B11R1.17 CCCOc1cnccc1Cl 34a_100011996695_100000210303 [1,1,0,0,0,0|2,0,0]=4 7964 B11R1.17 CCCOc1cnccc1I 34a_100000050107_100000210303 [1,1,0,0,0,0|2,0,0]=4 7965 B11R1.17 CCCOc1cnccc1N 34a_100000753702_100000210303 [1,1,0,0,0,0|2,0,0]=4 7966 B11R1.17 CCCOc1coccc1=O 34a_100000060831_100000210303 [1,1,0,0,0,0|2,0,0]=4 7967 B11R1.17 CCCOc1ncccc1Cl 34a_100011290957_100000210303 [1,1,0,0,0,0|2,0,0]=4 7968 B11R1.17 CCCOc1ncccc1F 34a_100011219419_100000210303 [1,1,0,0,0,0|2,0,0]=4 7969 B11R1.17 CCCOc1ncccc1N 34a_100000746358_100000210303 [1,1,0,0,0,0|2,0,0]=4 7970 B11R1.17 CCCOc1ncccc1O 271570a_203496583355_200011465209 [1,1,0,0,0,0|2,0,0]=4 7971 B11R1.17 CCCSc1ccccc1Br 62a_100000210303_100000695589 [1,1,0,0,0,0|1,1,0]=4 7972 B11R1.17 CCCSc1ccccc1Br 62a_100000695589_100000210303 [1,1,0,0,0,0|1,1,0]=4 7973 B11R1.17 CCCSc1ccccc1C 62a_100000210303_100000210755 [1,1,0,0,0,0|1,1,0]=4 7974 B11R1.17 CCCSc1ccccc1C 62a_100000210755_100000210303 [1,1,0,0,0,0|1,1,0]=4 7975 B11R1.17 CCCSc1ccccc1Cl 62a_100000210303_100000764095 [1,1,0,0,0,0|1,1,0]=4 7976 B11R1.17 CCCSc1ccccc1Cl 62a_100000764095_100000210303 [1,1,0,0,0,0|1,1,0]=4 7977 B11R1.17 CCCSc1ccccc1F 62a_100000210303_100011215700 [1,1,0,0,0,0|1,1,0]=4 7978 B11R1.17 CCCSc1ccccc1F 62a_100011215700_100000210303 [1,1,0,0,0,0|1,1,0]=4 7979 B11R1.17 CCCSc1ccccc1N 62a_100000210017_100000210303 [1,1,0,0,0,0|1,1,0]=4 7980 B11R1.17 CCCSc1ccccc1N 62a_100000210303_100000210017 [1,1,0,0,0,0|1,1,0]=4 7981 B11R1.17 CCCSc1ccccc1O 62a_100000210303_100000739446 [1,1,0,0,0,0|1,1,0]=4 7982 B11R1.17 CCCSc1ccccc1O 62a_100000739446_100000210303 [1,1,0,0,0,0|1,1,0]=4 7983 B11R1.17 COCOc1ccccc1O 271570a_203496583355_200000230759 [1,1,0,0,0,0|2,0,0]=4 7984 B11R1.17 CSCOc1ccccc1Br 34a_100000181306_100011218213 [1,1,0,0,0,0|2,0,0]=4 7985 B11R1.17 CSCOc1ccccc1C 34a_100000210338_100011218213 [1,1,0,0,0,0|2,0,0]=4 7986 B11R1.17 CSCOc1ccccc1Cl 34a_100000210172_100011218213 [1,1,0,0,0,0|2,0,0]=4 7987 B11R1.17 CSCOc1ccccc1F 34a_100000210171_100011218213 [1,1,0,0,0,0|2,0,0]=4 7988 B11R1.17 CSCOc1ccccc1I 34a_100000739446_100011218213 [1,1,0,0,0,0|2,0,0]=4 7989 B11R1.17 CSCOc1ccccc1N 34a_100000185747_100011218213 [1,1,0,0,0,0|2,0,0]=4 7990 B11R1.17 C[n+]1ccccc1SCCO 62a_100000211926_100000212160 [1,1,0,0,0,0|1,1,0]=4 7991 B11R1.17 Cc1ccccc1NCCF 34a_100015192222_100011217306 [1,1,0,0,0,0|2,0,0]=4 7992 B11R1.17 Cc1ccccc1NCCO 34a_100015192222_100000211926 [1,1,0,0,0,0|1,0,0]=3 7993 B11R1.17 Cc1ccccc1OCC#N 7a_100000210338_100011215382 [1,1,0,0,0,0|1,0,1]=4 7994 B11R1.17 Cc1ccccc1OCC=O 34a_100000210338_200009817547 [1,1,0,0,0,0|0,0,2]=4 7995 B11R1.17 Cc1ccccc1OCC=O 7a_100000210338_200015260668 [1,1,0,0,0,0|0,0,2]=4 7996 B11R1.17 Cc1ccccc1OCCF 34a_100000210338_100011217306 [1,1,0,0,0,0|1,0,0]=3 7997 B11R1.17 Cc1ccccc1OCCF 7a_100000210338_100011217306 [1,1,0,0,0,0|1,0,0]=3 7998 B11R1.17 Cc1ccccc1OCCO 34a_100000210338_100000211926 [1,1,0,0,0,0|0,0,0]=2 7999 B11R1.17 Cc1ccccc1OCCO 7a_100000210338_100000211926 [1,1,0,0,0,0|0,0,0]=2 8000 B11R1.17 Cc1ccccc1SCCF 62a_100000210755_100011217306 [1,1,0,0,0,0|1,1,0]=4 8001 B11R1.17 Cc1ccccc1SCCF 62a_100011217306_100000210755 [1,1,0,0,0,0|1,1,0]=4 8002 B11R1.17 Cc1ccccc1SCCO 62a_100000210755_100000211926 [1,1,0,0,0,0|0,1,0]=3 8003 B11R1.17 Cc1ccccc1SCCO 62a_100000211926_100000210755 [1,1,0,0,0,0|0,1,0]=3 8004 B11R1.17 Cc1cccnc1SCCO 62a_100000211926_100000751373 [1,1,0,0,0,0|1,1,0]=4 8005 B11R1.17 Cc1cccnc1SCCO 62a_100000751373_100000211926 [1,1,0,0,0,0|1,1,0]=4 8006 B11R1.17 Cc1ccncc1OCCF 34a_100011997053_100011217306 [1,1,0,0,0,0|2,0,0]=4 8007 B11R1.17 Cc1ccncc1OCCF 7a_100011997053_100011217306 [1,1,0,0,0,0|2,0,0]=4 8008 B11R1.17 Cc1ccncc1OCCO 34a_100011997053_100000211926 [1,1,0,0,0,0|1,0,0]=3 8009 B11R1.17 Cc1ccncc1OCCO 7a_100011997053_100000211926 [1,1,0,0,0,0|1,0,0]=3 8010 B11R1.17 Cc1ccncc1SCCO 62a_100000211926_100000761580 [1,1,0,0,0,0|1,1,0]=4 8011 B11R1.17 Cc1ccncc1SCCO 62a_100000761580_100000211926 [1,1,0,0,0,0|1,1,0]=4 8012 B11R1.17 Cc1cnccc1NCCO 27a_100000210304_100000765111 [1,1,0,0,0,0|2,0,0]=4 8013 B11R1.17 Cc1cnccc1OCCF 34a_100000694293_100011217306 [1,1,0,0,0,0|2,0,0]=4 8014 B11R1.17 Cc1cnccc1OCCO 34a_100000694293_100000211926 [1,1,0,0,0,0|1,0,0]=3 8015 B11R1.17 Cc1cnccc1SCCO 62a_100000211926_100000765111 [1,1,0,0,0,0|1,1,0]=4 8016 B11R1.17 Cc1cnccc1SCCO 62a_100000765111_100000211926 [1,1,0,0,0,0|1,1,0]=4 8017 B11R1.17 Cc1ncccc1OCCF 34a_100000745507_100011217306 [1,1,0,0,0,0|2,0,0]=4 8018 B11R1.17 Cc1ncccc1OCCF 7a_100000745507_100011217306 [1,1,0,0,0,0|2,0,0]=4 8019 B11R1.17 Cc1ncccc1OCCO 34a_100000745507_100000211926 [1,1,0,0,0,0|1,0,0]=3 8020 B11R1.17 Cc1ncccc1OCCO 7a_100000745507_100000211926 [1,1,0,0,0,0|1,0,0]=3 8021 B11R1.17 Cc1ncccc1SCCO 62a_100000211926_100000751574 [1,1,0,0,0,0|1,1,0]=4 8022 B11R1.17 Cc1ncccc1SCCO 62a_100000751574_100000211926 [1,1,0,0,0,0|1,1,0]=4 8023 B11R1.17 Cc1nccnc1OCCO 34a_100000766352_100000211926 [1,1,0,0,0,0|2,0,0]=4 8024 B11R1.17 FCCNc1ccccc1Br 34a_100000210017_100011217306 [1,1,0,0,0,0|2,0,0]=4 8025 B11R1.17 FCCNc1ccccc1Cl 34a_100000185783_100011217306 [1,1,0,0,0,0|2,0,0]=4 8026 B11R1.17 FCCNc1ccccc1F 34a_100000210422_100011217306 [1,1,0,0,0,0|2,0,0]=4 8027 B11R1.17 FCCNc1ccccc1I 34a_100000210053_100011217306 [1,1,0,0,0,0|2,0,0]=4 8028 B11R1.17 FCCOc1ccccc1Br 34a_100000181306_100011217306 [1,1,0,0,0,0|1,0,0]=3 8029 B11R1.17 FCCOc1ccccc1Br 7a_100000181306_100011217306 [1,1,0,0,0,0|1,0,0]=3 8030 B11R1.17 FCCOc1ccccc1Cl 34a_100000210172_100011217306 [1,1,0,0,0,0|1,0,0]=3 8031 B11R1.17 FCCOc1ccccc1Cl 7a_100000210172_100011217306 [1,1,0,0,0,0|1,0,0]=3 8032 B11R1.17 FCCOc1ccccc1F 34a_100000210171_100011217306 [1,1,0,0,0,0|1,0,0]=3 8033 B11R1.17 FCCOc1ccccc1F 7a_100000210171_100011217306 [1,1,0,0,0,0|1,0,0]=3 8034 B11R1.17 FCCOc1ccccc1I 34a_100000739446_100011217306 [1,1,0,0,0,0|1,0,0]=3 8035 B11R1.17 FCCOc1ccccc1I 7a_100000739446_100011217306 [1,1,0,0,0,0|1,0,0]=3 8036 B11R1.17 FCCOc1cccnc1Br 34a_100000744436_100011217306 [1,1,0,0,0,0|2,0,0]=4 8037 B11R1.17 FCCOc1cccnc1Br 7a_100000744436_100011217306 [1,1,0,0,0,0|2,0,0]=4 8038 B11R1.17 FCCOc1cccnc1Cl 34a_100000757616_100011217306 [1,1,0,0,0,0|2,0,0]=4 8039 B11R1.17 FCCOc1cccnc1Cl 7a_100000757616_100011217306 [1,1,0,0,0,0|2,0,0]=4 8040 B11R1.17 FCCOc1cccnc1F 34a_100000061740_100011217306 [1,1,0,0,0,0|2,0,0]=4 8041 B11R1.17 FCCOc1cccnc1F 7a_100000061740_100011217306 [1,1,0,0,0,0|2,0,0]=4 8042 B11R1.17 FCCOc1cccnc1I 34a_100000034122_100011217306 [1,1,0,0,0,0|2,0,0]=4 8043 B11R1.17 FCCOc1cccnc1I 7a_100000034122_100011217306 [1,1,0,0,0,0|2,0,0]=4 8044 B11R1.17 FCCOc1ccncc1Br 34a_100011996408_100011217306 [1,1,0,0,0,0|2,0,0]=4 8045 B11R1.17 FCCOc1ccncc1Cl 34a_100011997054_100011217306 [1,1,0,0,0,0|2,0,0]=4 8046 B11R1.17 FCCOc1ccncc1F 34a_200000081243_100011217306 [1,1,0,0,0,0|2,0,0]=4 8047 B11R1.17 FCCOc1cnccc1Cl 34a_100011996695_100011217306 [1,1,0,0,0,0|2,0,0]=4 8048 B11R1.17 FCCOc1cnccc1I 34a_100000050107_100011217306 [1,1,0,0,0,0|2,0,0]=4 8049 B11R1.17 FCCOc1ncccc1Cl 34a_100011290957_100011217306 [1,1,0,0,0,0|2,0,0]=4 8050 B11R1.17 FCCOc1ncccc1F 34a_100011219419_100011217306 [1,1,0,0,0,0|2,0,0]=4 8051 B11R1.17 FCCSc1ccccc1Br 62a_100000695589_100011217306 [1,1,0,0,0,0|1,1,0]=4 8052 B11R1.17 FCCSc1ccccc1Br 62a_100011217306_100000695589 [1,1,0,0,0,0|1,1,0]=4 8053 B11R1.17 FCCSc1ccccc1Cl 62a_100000764095_100011217306 [1,1,0,0,0,0|1,1,0]=4 8054 B11R1.17 FCCSc1ccccc1Cl 62a_100011217306_100000764095 [1,1,0,0,0,0|1,1,0]=4 8055 B11R1.17 FCCSc1ccccc1F 62a_100011215700_100011217306 [1,1,0,0,0,0|1,1,0]=4 8056 B11R1.17 FCCSc1ccccc1F 62a_100011217306_100011215700 [1,1,0,0,0,0|1,1,0]=4 8057 B11R1.17 N#CCOc1ccccc1Br 7a_100000181306_100011215382 [1,1,0,0,0,0|1,0,1]=4 8058 B11R1.17 N#CCOc1ccccc1Cl 7a_100000210172_100011215382 [1,1,0,0,0,0|1,0,1]=4 8059 B11R1.17 N#CCOc1ccccc1F 7a_100000210171_100011215382 [1,1,0,0,0,0|1,0,1]=4 8060 B11R1.17 N#CCOc1ccccc1I 7a_100000739446_100011215382 [1,1,0,0,0,0|1,0,1]=4 8061 B11R1.17 N#CCOc1ccccc1N 7a_100000185747_100011215382 [1,1,0,0,0,0|1,0,1]=4 8062 B11R1.17 N#CCOc1ccccc1O 271570a_203496583355_200000173881 [1,1,0,0,0,0|1,0,1]=4 8063 B11R1.17 NCCOc1ccccc1O 271570a_203496583355_100000744007 [1,1,0,0,0,0|1,0,0]=3 8064 B11R1.17 Nc1ccccc1OCC=O 34a_100000185747_200009817547 [1,1,0,0,0,0|0,0,2]=4 8065 B11R1.17 Nc1ccccc1OCC=O 7a_100000185747_200015260668 [1,1,0,0,0,0|0,0,2]=4 8066 B11R1.17 Nc1ccccc1OCCF 34a_100000185747_100011217306 [1,1,0,0,0,0|1,0,0]=3 8067 B11R1.17 Nc1ccccc1OCCF 7a_100000185747_100011217306 [1,1,0,0,0,0|1,0,0]=3 8068 B11R1.17 Nc1ccccc1OCCO 34a_100000185747_100000211926 [1,1,0,0,0,0|0,0,0]=2 8069 B11R1.17 Nc1ccccc1OCCO 7a_100000185747_100000211926 [1,1,0,0,0,0|0,0,0]=2 8070 B11R1.17 Nc1ccccc1SCCF 62a_100000210017_100011217306 [1,1,0,0,0,0|1,1,0]=4 8071 B11R1.17 Nc1ccccc1SCCF 62a_100011217306_100000210017 [1,1,0,0,0,0|1,1,0]=4 8072 B11R1.17 Nc1ccccc1SCCO 62a_100000210017_100000211926 [1,1,0,0,0,0|0,1,0]=3 8073 B11R1.17 Nc1ccccc1SCCO 62a_100000211926_100000210017 [1,1,0,0,0,0|0,1,0]=3 8074 B11R1.17 Nc1cccnc1OCCF 34a_100000746358_100011217306 [1,1,0,0,0,0|2,0,0]=4 8075 B11R1.17 Nc1cccnc1OCCO 34a_100000746358_100000211926 [1,1,0,0,0,0|1,0,0]=3 8076 B11R1.17 Nc1cccnc1SCCO 62a_100000211926_100000688686 [1,1,0,0,0,0|1,1,0]=4 8077 B11R1.17 Nc1cccnc1SCCO 62a_100000688686_100000211926 [1,1,0,0,0,0|1,1,0]=4 8078 B11R1.17 Nc1ccncc1OCCF 34a_100000753702_100011217306 [1,1,0,0,0,0|2,0,0]=4 8079 B11R1.17 Nc1ccncc1OCCO 34a_100000753702_100000211926 [1,1,0,0,0,0|1,0,0]=3 8080 B11R1.17 Nc1ccncc1SCCO 62a_100000047001_100000211926 [1,1,0,0,0,0|1,1,0]=4 8081 B11R1.17 Nc1ccncc1SCCO 62a_100000211926_100000047001 [1,1,0,0,0,0|1,1,0]=4 8082 B11R1.17 Nc1cnccc1SCCO 62a_100000211926_100000756074 [1,1,0,0,0,0|1,1,0]=4 8083 B11R1.17 Nc1cnccc1SCCO 62a_100000756074_100000211926 [1,1,0,0,0,0|1,1,0]=4 8084 B11R1.17 Nc1ncccc1OCCF 34a_100000211975_100011217306 [1,1,0,0,0,0|2,0,0]=4 8085 B11R1.17 Nc1ncccc1OCCF 7a_100000211975_100011217306 [1,1,0,0,0,0|2,0,0]=4 8086 B11R1.17 Nc1ncccc1OCCO 34a_100000211975_100000211926 [1,1,0,0,0,0|1,0,0]=3 8087 B11R1.17 Nc1ncccc1OCCO 7a_100000211975_100000211926 [1,1,0,0,0,0|1,0,0]=3 8088 B11R1.17 Nc1ncccc1SCCO 62a_100000045569_100000211926 [1,1,0,0,0,0|1,1,0]=4 8089 B11R1.17 Nc1ncccc1SCCO 62a_100000211926_100000045569 [1,1,0,0,0,0|1,1,0]=4 8090 B11R1.17 Nc1ncncc1OCCO 7a_100000112926_100000211926 [1,1,0,0,0,0|2,0,0]=4 8091 B11R1.17 O=CCOc1ccccc1Br 34a_100000181306_200009817547 [1,1,0,0,0,0|0,0,2]=4 8092 B11R1.17 O=CCOc1ccccc1Br 7a_100000181306_200015260668 [1,1,0,0,0,0|0,0,2]=4 8093 B11R1.17 O=CCOc1ccccc1Cl 34a_100000210172_200009817547 [1,1,0,0,0,0|0,0,2]=4 8094 B11R1.17 O=CCOc1ccccc1Cl 7a_100000210172_200015260668 [1,1,0,0,0,0|0,0,2]=4 8095 B11R1.17 O=CCOc1ccccc1F 34a_100000210171_200009817547 [1,1,0,0,0,0|0,0,2]=4 8096 B11R1.17 O=CCOc1ccccc1F 7a_100000210171_200015260668 [1,1,0,0,0,0|0,0,2]=4 8097 B11R1.17 O=CCOc1ccccc1I 34a_100000739446_200009817547 [1,1,0,0,0,0|0,0,2]=4 8098 B11R1.17 O=CCOc1ccccc1I 7a_100000739446_200015260668 [1,1,0,0,0,0|0,0,2]=4 8099 B11R1.17 O=c1cc[nH]cc1SCCO 62a_100000211926_100009998708 [1,1,0,0,0,0|1,1,0]=4 8100 B11R1.17 O=c1cc[nH]cc1SCCO 62a_100009998708_100000211926 [1,1,0,0,0,0|1,1,0]=4 8101 B11R1.17 O=c1ccocc1OCCF 34a_100000060831_100011217306 [1,1,0,0,0,0|2,0,0]=4 8102 B11R1.17 O=c1ccocc1OCCO 34a_100000060831_100000211926 [1,1,0,0,0,0|1,0,0]=3 8103 B11R1.17 O=c1occcc1OCCF 34a_100000077404_100011217306 [1,1,0,0,0,0|2,0,0]=4 8104 B11R1.17 O=c1occcc1OCCF 7a_100000077404_100011217306 [1,1,0,0,0,0|2,0,0]=4 8105 B11R1.17 O=c1occcc1OCCO 34a_100000077404_100000211926 [1,1,0,0,0,0|1,0,0]=3 8106 B11R1.17 O=c1occcc1OCCO 7a_100000077404_100000211926 [1,1,0,0,0,0|1,0,0]=3 8107 B11R1.17 OCC#Cc1ccccc1O 271570a_203496583355_100009814404 [1,1,0,0,0,0|1,0,1]=4 8108 B11R1.17 OCCCc1ccccc1O 271570a_203496583355_100000699526 [1,1,0,0,0,0|1,0,0]=3 8109 B11R1.17 OCCNc1ccccc1Br 34a_100000210017_100000211926 [1,1,0,0,0,0|1,0,0]=3 8110 B11R1.17 OCCNc1ccccc1Cl 34a_100000185783_100000211926 [1,1,0,0,0,0|1,0,0]=3 8111 B11R1.17 OCCNc1ccccc1F 34a_100000210422_100000211926 [1,1,0,0,0,0|1,0,0]=3 8112 B11R1.17 OCCNc1ccccc1I 34a_100000210053_100000211926 [1,1,0,0,0,0|1,0,0]=3 8113 B11R1.17 OCCNc1ccccc1O 34a_100000185747_100000211926 [1,1,0,0,0,0|1,0,0]=3 8114 B11R1.17 OCCNc1ccncc1Br 27a_100000210304_100000726257 [1,1,0,0,0,0|2,0,0]=4 8115 B11R1.17 OCCNc1ccncc1F 27a_100000210304_100000035921 [1,1,0,0,0,0|2,0,0]=4 8116 B11R1.17 OCCNc1ncccc1Br 27a_100000210304_100000696092 [1,1,0,0,0,0|2,0,0]=4 8117 B11R1.17 OCCNc1ncccc1O 271570a_203496583355_200011464885 [1,1,0,0,0,0|2,0,0]=4 8118 B11R1.17 OCCOc1ccccc1Br 34a_100000181306_100000211926 [1,1,0,0,0,0|0,0,0]=2 8119 B11R1.17 OCCOc1ccccc1Br 7a_100000181306_100000211926 [1,1,0,0,0,0|0,0,0]=2 8120 B11R1.17 OCCOc1ccccc1Cl 34a_100000210172_100000211926 [1,1,0,0,0,0|0,0,0]=2 8121 B11R1.17 OCCOc1ccccc1Cl 7a_100000210172_100000211926 [1,1,0,0,0,0|0,0,0]=2 8122 B11R1.17 OCCOc1ccccc1F 34a_100000210171_100000211926 [1,1,0,0,0,0|0,0,0]=2 8123 B11R1.17 OCCOc1ccccc1F 7a_100000210171_100000211926 [1,1,0,0,0,0|0,0,0]=2 8124 B11R1.17 OCCOc1ccccc1I 34a_100000739446_100000211926 [1,1,0,0,0,0|0,0,0]=2 8125 B11R1.17 OCCOc1ccccc1I 7a_100000739446_100000211926 [1,1,0,0,0,0|0,0,0]=2 8126 B11R1.17 OCCOc1ccccc1O 271570a_203496583355_100000230753 [1,1,0,0,0,0|0,0,0]=2 8127 B11R1.17 OCCOc1cccnc1Br 34a_100000744436_100000211926 [1,1,0,0,0,0|1,0,0]=3 8128 B11R1.17 OCCOc1cccnc1Br 7a_100000744436_100000211926 [1,1,0,0,0,0|1,0,0]=3 8129 B11R1.17 OCCOc1cccnc1Cl 34a_100000757616_100000211926 [1,1,0,0,0,0|1,0,0]=3 8130 B11R1.17 OCCOc1cccnc1Cl 7a_100000757616_100000211926 [1,1,0,0,0,0|1,0,0]=3 8131 B11R1.17 OCCOc1cccnc1F 34a_100000061740_100000211926 [1,1,0,0,0,0|1,0,0]=3 8132 B11R1.17 OCCOc1cccnc1F 7a_100000061740_100000211926 [1,1,0,0,0,0|1,0,0]=3 8133 B11R1.17 OCCOc1cccnc1I 34a_100000034122_100000211926 [1,1,0,0,0,0|1,0,0]=3 8134 B11R1.17 OCCOc1cccnc1I 7a_100000034122_100000211926 [1,1,0,0,0,0|1,0,0]=3 8135 B11R1.17 OCCOc1ccncc1Br 34a_100011996408_100000211926 [1,1,0,0,0,0|1,0,0]=3 8136 B11R1.17 OCCOc1ccncc1Cl 34a_100011997054_100000211926 [1,1,0,0,0,0|1,0,0]=3 8137 B11R1.17 OCCOc1ccncc1F 34a_200000081243_100000211926 [1,1,0,0,0,0|1,0,0]=3 8138 B11R1.17 OCCOc1cnccc1Cl 34a_100011996695_100000211926 [1,1,0,0,0,0|1,0,0]=3 8139 B11R1.17 OCCOc1cnccc1I 34a_100000050107_100000211926 [1,1,0,0,0,0|1,0,0]=3 8140 B11R1.17 OCCOc1ncccc1Cl 34a_100011290957_100000211926 [1,1,0,0,0,0|1,0,0]=3 8141 B11R1.17 OCCOc1ncccc1F 34a_100011219419_100000211926 [1,1,0,0,0,0|1,0,0]=3 8142 B11R1.17 OCCSc1c[nH]ccc1=S 62a_100000211926_200012280681 [1,1,0,0,0,0|1,1,0]=4 8143 B11R1.17 OCCSc1c[nH]ccc1=S 62a_200012280681_100000211926 [1,1,0,0,0,0|1,1,0]=4 8144 B11R1.17 OCCSc1ccccc1Br 62a_100000211926_100000695589 [1,1,0,0,0,0|0,1,0]=3 8145 B11R1.17 OCCSc1ccccc1Br 62a_100000695589_100000211926 [1,1,0,0,0,0|0,1,0]=3 8146 B11R1.17 OCCSc1ccccc1Cl 62a_100000211926_100000764095 [1,1,0,0,0,0|0,1,0]=3 8147 B11R1.17 OCCSc1ccccc1Cl 62a_100000764095_100000211926 [1,1,0,0,0,0|0,1,0]=3 8148 B11R1.17 OCCSc1ccccc1F 62a_100000211926_100011215700 [1,1,0,0,0,0|0,1,0]=3 8149 B11R1.17 OCCSc1ccccc1F 62a_100011215700_100000211926 [1,1,0,0,0,0|0,1,0]=3 8150 B11R1.17 OCCSc1ccccc1O 271570a_203496583355_200000230852 [1,1,0,0,0,0|0,1,0]=3 8151 B11R1.17 OCCSc1ccccc1O 62a_100000211926_100000739446 [1,1,0,0,0,0|0,1,0]=3 8152 B11R1.17 OCCSc1ccccc1O 62a_100000739446_100000211926 [1,1,0,0,0,0|0,1,0]=3 8153 B11R1.17 OCCSc1cccnc1Br 62a_100000211926_100010202626 [1,1,0,0,0,0|1,1,0]=4 8154 B11R1.17 OCCSc1cccnc1Br 62a_100010202626_100000211926 [1,1,0,0,0,0|1,1,0]=4 8155 B11R1.17 OCCSc1cccnc1Cl 62a_100000036424_100000211926 [1,1,0,0,0,0|1,1,0]=4 8156 B11R1.17 OCCSc1cccnc1Cl 62a_100000211926_100000036424 [1,1,0,0,0,0|1,1,0]=4 8157 B11R1.17 OCCSc1cccnc1F 62a_100000211926_100009816115 [1,1,0,0,0,0|1,1,0]=4 8158 B11R1.17 OCCSc1cccnc1F 62a_100009816115_100000211926 [1,1,0,0,0,0|1,1,0]=4 8159 B11R1.17 OCCSc1cccnc1O 62a_100000211926_100000760158 [1,1,0,0,0,0|1,1,0]=4 8160 B11R1.17 OCCSc1cccnc1O 62a_100000760158_100000211926 [1,1,0,0,0,0|1,1,0]=4 8161 B11R1.17 OCCSc1ccncc1Br 62a_100000211926_100000726257 [1,1,0,0,0,0|1,1,0]=4 8162 B11R1.17 OCCSc1ccncc1Br 62a_100000726257_100000211926 [1,1,0,0,0,0|1,1,0]=4 8163 B11R1.17 OCCSc1ccncc1Cl 62a_100000211926_100000708259 [1,1,0,0,0,0|1,1,0]=4 8164 B11R1.17 OCCSc1ccncc1Cl 62a_100000708259_100000211926 [1,1,0,0,0,0|1,1,0]=4 8165 B11R1.17 OCCSc1ccncc1F 62a_100000047030_100000211926 [1,1,0,0,0,0|1,1,0]=4 8166 B11R1.17 OCCSc1ccncc1F 62a_100000211926_100000047030 [1,1,0,0,0,0|1,1,0]=4 8167 B11R1.17 OCCSc1ccncc1O 62a_100000211926_100009817591 [1,1,0,0,0,0|1,1,0]=4 8168 B11R1.17 OCCSc1ccncc1O 62a_100009817591_100000211926 [1,1,0,0,0,0|1,1,0]=4 8169 B11R1.17 OCCSc1cnccc1Br 62a_100000211926_100010138639 [1,1,0,0,0,0|1,1,0]=4 8170 B11R1.17 OCCSc1cnccc1Br 62a_100010138639_100000211926 [1,1,0,0,0,0|1,1,0]=4 8171 B11R1.17 OCCSc1cnccc1Cl 62a_100000211926_100009995489 [1,1,0,0,0,0|1,1,0]=4 8172 B11R1.17 OCCSc1cnccc1Cl 62a_100009995489_100000211926 [1,1,0,0,0,0|1,1,0]=4 8173 B11R1.17 OCCSc1cnccc1F 62a_100000211926_100009820683 [1,1,0,0,0,0|1,1,0]=4 8174 B11R1.17 OCCSc1cnccc1F 62a_100009820683_100000211926 [1,1,0,0,0,0|1,1,0]=4 8175 B11R1.17 OCCSc1ncccc1Br 62a_100000211926_100000696092 [1,1,0,0,0,0|1,1,0]=4 8176 B11R1.17 OCCSc1ncccc1Br 62a_100000696092_100000211926 [1,1,0,0,0,0|1,1,0]=4 8177 B11R1.17 OCCSc1ncccc1Cl 62a_100000211926_100011356963 [1,1,0,0,0,0|1,1,0]=4 8178 B11R1.17 OCCSc1ncccc1Cl 62a_100011356963_100000211926 [1,1,0,0,0,0|1,1,0]=4 8179 B11R1.17 OCCSc1ncccc1F 62a_100000211926_100000685392 [1,1,0,0,0,0|1,1,0]=4 8180 B11R1.17 OCCSc1ncccc1F 62a_100000685392_100000211926 [1,1,0,0,0,0|1,1,0]=4 8181 B11R1.17 OCCSc1ncccc1O 62a_100000034122_100000211926 [1,1,0,0,0,0|1,1,0]=4 8182 B11R1.17 OCCSc1ncccc1O 62a_100000211926_100000034122 [1,1,0,0,0,0|1,1,0]=4 8183 B11R1.17 Oc1ccccc1NCCF 34a_100000185747_100011217306 [1,1,0,0,0,0|2,0,0]=4 8184 B11R1.17 Oc1ccccc1SCCF 62a_100000739446_100011217306 [1,1,0,0,0,0|1,1,0]=4 8185 B11R1.17 Oc1ccccc1SCCF 62a_100011217306_100000739446 [1,1,0,0,0,0|1,1,0]=4 8186 B11R1.17 Oc1ncccc1OCCF 271570a_203496583355_100012814765 [1,1,0,0,0,0|2,0,0]=4 8187 B11R1.17 [O-][n+]1ccccc1OCCF 7a_100000211761_100011217306 [1,1,0,0,0,0|2,0,0]=4 8188 B11R1.17 [O-][n+]1ccccc1OCCO 7a_100000211761_100000211926 [1,1,0,0,0,0|1,0,0]=3 8189 B11R1.17 [O-][n+]1ccccc1SCCO 62a_100000211926_200000042595 [1,1,0,0,0,0|1,1,0]=4 8190 B11R1.24 C#CCOc1cccc(c1)Br 34a_100000210342_100000184674 [1,1,0,0,0,0|1,0,1]=4 8191 B11R1.24 C#CCOc1cccc(c1)Br 7a_100000210342_100000038162 [1,1,0,0,0,0|1,0,1]=4 8192 B11R1.24 C#CCOc1cccc(c1)C 34a_100000210337_100000184674 [1,1,0,0,0,0|1,0,1]=4 8193 B11R1.24 C#CCOc1cccc(c1)C 7a_100000210337_100000038162 [1,1,0,0,0,0|1,0,1]=4 8194 B11R1.24 C#CCOc1cccc(c1)Cl 34a_100000210295_100000184674 [1,1,0,0,0,0|1,0,1]=4 8195 B11R1.24 C#CCOc1cccc(c1)Cl 7a_100000210295_100000038162 [1,1,0,0,0,0|1,0,1]=4 8196 B11R1.24 C#CCOc1cccc(c1)F 34a_100000210426_100000184674 [1,1,0,0,0,0|1,0,1]=4 8197 B11R1.24 C#CCOc1cccc(c1)F 7a_100000210426_100000038162 [1,1,0,0,0,0|1,0,1]=4 8198 B11R1.24 C#CCOc1cccc(c1)I 34a_100000211634_100000184674 [1,1,0,0,0,0|1,0,1]=4 8199 B11R1.24 C#CCOc1cccc(c1)I 7a_100000211634_100000038162 [1,1,0,0,0,0|1,0,1]=4 8200 B11R1.24 C#CCOc1cccc(c1)N 34a_100000210217_100000184674 [1,1,0,0,0,0|1,0,1]=4 8201 B11R1.24 C=CCOc1cccc(c1)Br 34a_100000210342_100015514636 [1,1,0,0,0,0|1,0,1]=4 8202 B11R1.24 C=CCOc1cccc(c1)Br 7a_100000210342_100015514636 [1,1,0,0,0,0|1,0,1]=4 8203 B11R1.24 C=CCOc1cccc(c1)C 34a_100000210337_100015514636 [1,1,0,0,0,0|1,0,1]=4 8204 B11R1.24 C=CCOc1cccc(c1)C 7a_100000210337_100015514636 [1,1,0,0,0,0|1,0,1]=4 8205 B11R1.24 C=CCOc1cccc(c1)Cl 34a_100000210295_100015514636 [1,1,0,0,0,0|1,0,1]=4 8206 B11R1.24 C=CCOc1cccc(c1)Cl 7a_100000210295_100015514636 [1,1,0,0,0,0|1,0,1]=4 8207 B11R1.24 C=CCOc1cccc(c1)F 34a_100000210426_100015514636 [1,1,0,0,0,0|1,0,1]=4 8208 B11R1.24 C=CCOc1cccc(c1)F 7a_100000210426_100015514636 [1,1,0,0,0,0|1,0,1]=4 8209 B11R1.24 C=CCOc1cccc(c1)I 34a_100000211634_100015514636 [1,1,0,0,0,0|1,0,1]=4 8210 B11R1.24 C=CCOc1cccc(c1)I 7a_100000211634_100015514636 [1,1,0,0,0,0|1,0,1]=4 8211 B11R1.24 C=CCOc1cccc(c1)N 34a_100000210217_100015514636 [1,1,0,0,0,0|1,0,1]=4 8212 B11R1.24 CCCCc1cccc(c1)Br 271570a_100020621405_100000691529 [1,1,0,0,0,0|2,0,0]=4 8213 B11R1.24 CCCCc1cccc(c1)C 271570a_100020621405_100011215228 [1,1,0,0,0,0|2,0,0]=4 8214 B11R1.24 CCCCc1cccc(c1)Cl 271570a_100020621405_100000699651 [1,1,0,0,0,0|2,0,0]=4 8215 B11R1.24 CCCCc1cccc(c1)F 271570a_100020621405_100000685547 [1,1,0,0,0,0|2,0,0]=4 8216 B11R1.24 CCCCc1cccc(c1)N 271570a_100020621405_100000210019 [1,1,0,0,0,0|2,0,0]=4 8217 B11R1.24 CCCCc1cccc(c1)O 271570a_100020621405_100000211634 [1,1,0,0,0,0|2,0,0]=4 8218 B11R1.24 CCCCc1cccc(c1)O 271570a_203496583355_200010244551 [1,1,0,0,0,0|2,0,0]=4 8219 B11R1.24 CCCCc1cccc(c1)[S] 271570a_100020621405_114929384022 [1,1,0,0,0,0|2,0,0]=4 8220 B11R1.24 CCCNc1cccc(c1)Br 34a_100000210019_100000210303 [1,1,0,0,0,0|2,0,0]=4 8221 B11R1.24 CCCNc1cccc(c1)C 2230a_100000188690_100000210303 [1,1,0,0,0,0|2,0,0]=4 8222 B11R1.24 CCCNc1cccc(c1)C 34a_100000188690_100000210303 [1,1,0,0,0,0|2,0,0]=4 8223 B11R1.24 CCCNc1cccc(c1)Cl 34a_100000185859_100000210303 [1,1,0,0,0,0|2,0,0]=4 8224 B11R1.24 CCCNc1cccc(c1)F 34a_100000210047_100000210303 [1,1,0,0,0,0|2,0,0]=4 8225 B11R1.24 CCCNc1cccc(c1)I 34a_100000211102_100000210303 [1,1,0,0,0,0|2,0,0]=4 8226 B11R1.24 CCCNc1cccc(c1)O 34a_100000210217_100000210303 [1,1,0,0,0,0|2,0,0]=4 8227 B11R1.24 CCCOc1cc[nH]c(=O)c1 34a_100000032262_100000210303 [1,1,0,0,0,0|2,0,0]=4 8228 B11R1.24 CCCOc1ccc[n+](c1)[O-] 34a_100000039713_100000210303 [1,1,0,0,0,0|2,0,0]=4 8229 B11R1.24 CCCOc1ccc[n+](c1)[O-] 7a_100000039713_100000210303 [1,1,0,0,0,0|2,0,0]=4 8230 B11R1.24 CCCOc1cccc(=O)[nH]1 34a_100000033347_100000210303 [1,1,0,0,0,0|2,0,0]=4 8231 B11R1.24 CCCOc1cccc(c1)Br 34a_100000210342_100000210303 [1,1,0,0,0,0|1,0,0]=3 8232 B11R1.24 CCCOc1cccc(c1)Br 7a_100000210342_100000210303 [1,1,0,0,0,0|1,0,0]=3 8233 B11R1.24 CCCOc1cccc(c1)C 34a_100000210337_100000210303 [1,1,0,0,0,0|1,0,0]=3 8234 B11R1.24 CCCOc1cccc(c1)C 7a_100000210337_100000210303 [1,1,0,0,0,0|1,0,0]=3 8235 B11R1.24 CCCOc1cccc(c1)Cl 34a_100000210295_100000210303 [1,1,0,0,0,0|1,0,0]=3 8236 B11R1.24 CCCOc1cccc(c1)Cl 7a_100000210295_100000210303 [1,1,0,0,0,0|1,0,0]=3 8237 B11R1.24 CCCOc1cccc(c1)F 34a_100000210426_100000210303 [1,1,0,0,0,0|1,0,0]=3 8238 B11R1.24 CCCOc1cccc(c1)F 7a_100000210426_100000210303 [1,1,0,0,0,0|1,0,0]=3 8239 B11R1.24 CCCOc1cccc(c1)I 34a_100000211634_100000210303 [1,1,0,0,0,0|1,0,0]=3 8240 B11R1.24 CCCOc1cccc(c1)I 7a_100000211634_100000210303 [1,1,0,0,0,0|1,0,0]=3 8241 B11R1.24 CCCOc1cccc(c1)N 34a_100000210217_100000210303 [1,1,0,0,0,0|1,0,0]=3 8242 B11R1.24 CCCOc1cccc(c1)O 271570a_203496583355_100000170004 [1,1,0,0,0,0|1,0,0]=3 8243 B11R1.24 CCCOc1cccc(n1)F 34a_100011432558_100000210303 [1,1,0,0,0,0|2,0,0]=4 8244 B11R1.24 CCCOc1cccc(n1)O 271570a_203496583355_200011960250 [1,1,0,0,0,0|2,0,0]=4 8245 B11R1.24 CCCOc1ccnc(c1)C 34a_100000688365_100000210303 [1,1,0,0,0,0|2,0,0]=4 8246 B11R1.24 CCCOc1ccnc(c1)Cl 34a_100000762945_100000210303 [1,1,0,0,0,0|2,0,0]=4 8247 B11R1.24 CCCOc1ccnc(c1)F 34a_100000732698_100000210303 [1,1,0,0,0,0|2,0,0]=4 8248 B11R1.24 CCCOc1ccnc(c1)N 34a_100011834064_100000210303 [1,1,0,0,0,0|2,0,0]=4 8249 B11R1.24 CCCOc1cncc(c1)Br 34a_100000754920_100000210303 [1,1,0,0,0,0|2,0,0]=4 8250 B11R1.24 CCCOc1cncc(c1)Br 7a_100000754920_100000210303 [1,1,0,0,0,0|2,0,0]=4 8251 B11R1.24 CCCOc1cncc(c1)C 34a_100011830280_100000210303 [1,1,0,0,0,0|2,0,0]=4 8252 B11R1.24 CCCOc1cncc(c1)C 7a_100011830280_100000210303 [1,1,0,0,0,0|2,0,0]=4 8253 B11R1.24 CCCOc1cncc(c1)Cl 7a_100000032511_100000210303 [1,1,0,0,0,0|2,0,0]=4 8254 B11R1.24 CCCOc1cncc(c1)F 34a_100011830296_100000210303 [1,1,0,0,0,0|2,0,0]=4 8255 B11R1.24 CCCOc1cncc(c1)F 7a_100011830296_100000210303 [1,1,0,0,0,0|2,0,0]=4 8256 B11R1.24 CCCOc1cncc(c1)N 34a_100011997051_100000210303 [1,1,0,0,0,0|2,0,0]=4 8257 B11R1.24 CCCOc1cncc(c1)O 271570a_203496583355_200012029621 [1,1,0,0,0,0|2,0,0]=4 8258 B11R1.24 CCCSc1cccc(c1)Br 62a_100000210303_100000691529 [1,1,0,0,0,0|1,1,0]=4 8259 B11R1.24 CCCSc1cccc(c1)Br 62a_100000691529_100000210303 [1,1,0,0,0,0|1,1,0]=4 8260 B11R1.24 CCCSc1cccc(c1)C 62a_100000210303_100011215228 [1,1,0,0,0,0|1,1,0]=4 8261 B11R1.24 CCCSc1cccc(c1)C 62a_100011215228_100000210303 [1,1,0,0,0,0|1,1,0]=4 8262 B11R1.24 CCCSc1cccc(c1)Cl 62a_100000210303_100000699651 [1,1,0,0,0,0|1,1,0]=4 8263 B11R1.24 CCCSc1cccc(c1)Cl 62a_100000699651_100000210303 [1,1,0,0,0,0|1,1,0]=4 8264 B11R1.24 CCCSc1cccc(c1)F 62a_100000210303_100000685547 [1,1,0,0,0,0|1,1,0]=4 8265 B11R1.24 CCCSc1cccc(c1)F 62a_100000685547_100000210303 [1,1,0,0,0,0|1,1,0]=4 8266 B11R1.24 CCCSc1cccc(c1)N 62a_100000210019_100000210303 [1,1,0,0,0,0|1,1,0]=4 8267 B11R1.24 CCCSc1cccc(c1)N 62a_100000210303_100000210019 [1,1,0,0,0,0|1,1,0]=4 8268 B11R1.24 CCCSc1cccc(c1)O 271570a_203496583355_200009815762 [1,1,0,0,0,0|1,1,0]=4 8269 B11R1.24 CCCSc1cccc(c1)O 62a_100000210303_100000211634 [1,1,0,0,0,0|1,1,0]=4 8270 B11R1.24 CCCSc1cccc(c1)[S] 62a_100000210303_114929384022 [1,1,0,0,0,0|1,1,0]=4 8271 B11R1.24 CCCSc1cccc(c1)[S] 62a_114929384022_100000210303 [1,1,0,0,0,0|1,1,0]=4 8272 B11R1.24 COCOc1cccc(c1)O 271570a_203496583355_100012265688 [1,1,0,0,0,0|2,0,0]=4 8273 B11R1.24 CSCOc1cccc(c1)Br 34a_100000210342_100011218213 [1,1,0,0,0,0|2,0,0]=4 8274 B11R1.24 CSCOc1cccc(c1)C 34a_100000210337_100011218213 [1,1,0,0,0,0|2,0,0]=4 8275 B11R1.24 CSCOc1cccc(c1)Cl 34a_100000210295_100011218213 [1,1,0,0,0,0|2,0,0]=4 8276 B11R1.24 CSCOc1cccc(c1)F 34a_100000210426_100011218213 [1,1,0,0,0,0|2,0,0]=4 8277 B11R1.24 CSCOc1cccc(c1)I 34a_100000211634_100011218213 [1,1,0,0,0,0|2,0,0]=4 8278 B11R1.24 CSCOc1cccc(c1)N 34a_100000210217_100011218213 [1,1,0,0,0,0|2,0,0]=4 8279 B11R1.24 C[n+]1cccc(c1)SCCO 62a_100000211926_100009996589 [1,1,0,0,0,0|1,1,0]=4 8280 B11R1.24 C[n+]1cccc(c1)SCCO 62a_100009996589_100000211926 [1,1,0,0,0,0|1,1,0]=4 8281 B11R1.24 Cc1cc(ccn1)NCCO 27a_100000210304_100000758586 [1,1,0,0,0,0|2,0,0]=4 8282 B11R1.24 Cc1cc(ccn1)OCCF 34a_100000688365_100011217306 [1,1,0,0,0,0|2,0,0]=4 8283 B11R1.24 Cc1cc(ccn1)OCCO 34a_100000688365_100000211926 [1,1,0,0,0,0|1,0,0]=3 8284 B11R1.24 Cc1cc(ccn1)SCCO 62a_100000211926_100000758586 [1,1,0,0,0,0|1,1,0]=4 8285 B11R1.24 Cc1cc(ccn1)SCCO 62a_100000758586_100000211926 [1,1,0,0,0,0|1,1,0]=4 8286 B11R1.24 Cc1cccc(c1)NCCF 2230a_100000188690_100011217306 [1,1,0,0,0,0|2,0,0]=4 8287 B11R1.24 Cc1cccc(c1)NCCF 34a_100000188690_100011217306 [1,1,0,0,0,0|2,0,0]=4 8288 B11R1.24 Cc1cccc(c1)NCCO 2230a_100000188690_100000211926 [1,1,0,0,0,0|1,0,0]=3 8289 B11R1.24 Cc1cccc(c1)NCCO 34a_100000188690_100000211926 [1,1,0,0,0,0|1,0,0]=3 8290 B11R1.24 Cc1cccc(c1)OCC#N 7a_100000210337_100011215382 [1,1,0,0,0,0|1,0,1]=4 8291 B11R1.24 Cc1cccc(c1)OCC=O 34a_100000210337_200009817547 [1,1,0,0,0,0|0,0,2]=4 8292 B11R1.24 Cc1cccc(c1)OCC=O 7a_100000210337_200015260668 [1,1,0,0,0,0|0,0,2]=4 8293 B11R1.24 Cc1cccc(c1)OCCF 34a_100000210337_100011217306 [1,1,0,0,0,0|1,0,0]=3 8294 B11R1.24 Cc1cccc(c1)OCCF 7a_100000210337_100011217306 [1,1,0,0,0,0|1,0,0]=3 8295 B11R1.24 Cc1cccc(c1)OCCO 34a_100000210337_100000211926 [1,1,0,0,0,0|0,0,0]=2 8296 B11R1.24 Cc1cccc(c1)OCCO 7a_100000210337_100000211926 [1,1,0,0,0,0|0,0,0]=2 8297 B11R1.24 Cc1cccc(c1)SCCF 62a_100011215228_100011217306 [1,1,0,0,0,0|1,1,0]=4 8298 B11R1.24 Cc1cccc(c1)SCCF 62a_100011217306_100011215228 [1,1,0,0,0,0|1,1,0]=4 8299 B11R1.24 Cc1cccc(c1)SCCO 62a_100000211926_100011215228 [1,1,0,0,0,0|0,1,0]=3 8300 B11R1.24 Cc1cccc(c1)SCCO 62a_100011215228_100000211926 [1,1,0,0,0,0|0,1,0]=3 8301 B11R1.24 Cc1cccc(n1)SCCO 62a_100000211926_100000742759 [1,1,0,0,0,0|1,1,0]=4 8302 B11R1.24 Cc1cccc(n1)SCCO 62a_100000742759_100000211926 [1,1,0,0,0,0|1,1,0]=4 8303 B11R1.24 Cc1ccnc(c1)SCCO 62a_100000211926_100000750283 [1,1,0,0,0,0|1,1,0]=4 8304 B11R1.24 Cc1ccnc(c1)SCCO 62a_100000750283_100000211926 [1,1,0,0,0,0|1,1,0]=4 8305 B11R1.24 Cc1cncc(c1)OCCF 34a_100011830280_100011217306 [1,1,0,0,0,0|2,0,0]=4 8306 B11R1.24 Cc1cncc(c1)OCCF 7a_100011830280_100011217306 [1,1,0,0,0,0|2,0,0]=4 8307 B11R1.24 Cc1cncc(c1)OCCO 34a_100011830280_100000211926 [1,1,0,0,0,0|1,0,0]=3 8308 B11R1.24 Cc1cncc(c1)OCCO 7a_100011830280_100000211926 [1,1,0,0,0,0|1,0,0]=3 8309 B11R1.24 Cc1cncc(c1)SCCO 62a_100000211926_100000760492 [1,1,0,0,0,0|1,1,0]=4 8310 B11R1.24 Cc1cncc(c1)SCCO 62a_100000760492_100000211926 [1,1,0,0,0,0|1,1,0]=4 8311 B11R1.24 Cc1cnnc(c1)OCCO 34a_100000766097_100000211926 [1,1,0,0,0,0|2,0,0]=4 8312 B11R1.24 FCCNc1cccc(c1)Br 34a_100000210019_100011217306 [1,1,0,0,0,0|2,0,0]=4 8313 B11R1.24 FCCNc1cccc(c1)Cl 34a_100000185859_100011217306 [1,1,0,0,0,0|2,0,0]=4 8314 B11R1.24 FCCNc1cccc(c1)F 34a_100000210047_100011217306 [1,1,0,0,0,0|2,0,0]=4 8315 B11R1.24 FCCNc1cccc(c1)I 34a_100000211102_100011217306 [1,1,0,0,0,0|2,0,0]=4 8316 B11R1.24 FCCOc1cccc(c1)Br 34a_100000210342_100011217306 [1,1,0,0,0,0|1,0,0]=3 8317 B11R1.24 FCCOc1cccc(c1)Br 7a_100000210342_100011217306 [1,1,0,0,0,0|1,0,0]=3 8318 B11R1.24 FCCOc1cccc(c1)Cl 34a_100000210295_100011217306 [1,1,0,0,0,0|1,0,0]=3 8319 B11R1.24 FCCOc1cccc(c1)Cl 7a_100000210295_100011217306 [1,1,0,0,0,0|1,0,0]=3 8320 B11R1.24 FCCOc1cccc(c1)F 34a_100000210426_100011217306 [1,1,0,0,0,0|1,0,0]=3 8321 B11R1.24 FCCOc1cccc(c1)F 7a_100000210426_100011217306 [1,1,0,0,0,0|1,0,0]=3 8322 B11R1.24 FCCOc1cccc(c1)I 34a_100000211634_100011217306 [1,1,0,0,0,0|1,0,0]=3 8323 B11R1.24 FCCOc1cccc(c1)I 7a_100000211634_100011217306 [1,1,0,0,0,0|1,0,0]=3 8324 B11R1.24 FCCOc1cccc(n1)F 34a_100011432558_100011217306 [1,1,0,0,0,0|2,0,0]=4 8325 B11R1.24 FCCOc1ccnc(c1)Cl 34a_100000762945_100011217306 [1,1,0,0,0,0|2,0,0]=4 8326 B11R1.24 FCCOc1ccnc(c1)F 34a_100000732698_100011217306 [1,1,0,0,0,0|2,0,0]=4 8327 B11R1.24 FCCOc1cncc(c1)Br 34a_100000754920_100011217306 [1,1,0,0,0,0|2,0,0]=4 8328 B11R1.24 FCCOc1cncc(c1)Br 7a_100000754920_100011217306 [1,1,0,0,0,0|2,0,0]=4 8329 B11R1.24 FCCOc1cncc(c1)Cl 7a_100000032511_100011217306 [1,1,0,0,0,0|2,0,0]=4 8330 B11R1.24 FCCOc1cncc(c1)F 34a_100011830296_100011217306 [1,1,0,0,0,0|2,0,0]=4 8331 B11R1.24 FCCOc1cncc(c1)F 7a_100011830296_100011217306 [1,1,0,0,0,0|2,0,0]=4 8332 B11R1.24 FCCSc1cccc(c1)Br 62a_100000691529_100011217306 [1,1,0,0,0,0|1,1,0]=4 8333 B11R1.24 FCCSc1cccc(c1)Br 62a_100011217306_100000691529 [1,1,0,0,0,0|1,1,0]=4 8334 B11R1.24 FCCSc1cccc(c1)Cl 62a_100000699651_100011217306 [1,1,0,0,0,0|1,1,0]=4 8335 B11R1.24 FCCSc1cccc(c1)Cl 62a_100011217306_100000699651 [1,1,0,0,0,0|1,1,0]=4 8336 B11R1.24 FCCSc1cccc(c1)F 62a_100000685547_100011217306 [1,1,0,0,0,0|1,1,0]=4 8337 B11R1.24 FCCSc1cccc(c1)F 62a_100011217306_100000685547 [1,1,0,0,0,0|1,1,0]=4 8338 B11R1.24 FCCSc1cccc(c1)[S] 62a_100011217306_114929384022 [1,1,0,0,0,0|1,1,0]=4 8339 B11R1.24 FCCSc1cccc(c1)[S] 62a_114929384022_100011217306 [1,1,0,0,0,0|1,1,0]=4 8340 B11R1.24 N#CCOc1cccc(c1)Br 7a_100000210342_100011215382 [1,1,0,0,0,0|1,0,1]=4 8341 B11R1.24 N#CCOc1cccc(c1)Cl 7a_100000210295_100011215382 [1,1,0,0,0,0|1,0,1]=4 8342 B11R1.24 N#CCOc1cccc(c1)F 7a_100000210426_100011215382 [1,1,0,0,0,0|1,0,1]=4 8343 B11R1.24 N#CCOc1cccc(c1)I 7a_100000211634_100011215382 [1,1,0,0,0,0|1,0,1]=4 8344 B11R1.24 N#CCOc1cccc(c1)O 271570a_203496583355_200000169433 [1,1,0,0,0,0|1,0,1]=4 8345 B11R1.24 NCCCc1cccc(c1)O 271570a_203496583355_100000753791 [1,1,0,0,0,0|2,0,0]=4 8346 B11R1.24 NCCOc1cccc(c1)O 271570a_203496583355_100000743521 [1,1,0,0,0,0|1,0,0]=3 8347 B11R1.24 Nc1cc(ccn1)OCCF 34a_100011834064_100011217306 [1,1,0,0,0,0|2,0,0]=4 8348 B11R1.24 Nc1cc(ccn1)OCCO 34a_100011834064_100000211926 [1,1,0,0,0,0|1,0,0]=3 8349 B11R1.24 Nc1cc(ccn1)SCCO 62a_100000049665_100000211926 [1,1,0,0,0,0|1,1,0]=4 8350 B11R1.24 Nc1cc(ccn1)SCCO 62a_100000211926_100000049665 [1,1,0,0,0,0|1,1,0]=4 8351 B11R1.24 Nc1cc(cnn1)OCCO 34a_200015193112_100000211926 [1,1,0,0,0,0|2,0,0]=4 8352 B11R1.24 Nc1cccc(c1)OCC=O 34a_100000210217_200009817547 [1,1,0,0,0,0|0,0,2]=4 8353 B11R1.24 Nc1cccc(c1)OCCF 34a_100000210217_100011217306 [1,1,0,0,0,0|1,0,0]=3 8354 B11R1.24 Nc1cccc(c1)OCCO 34a_100000210217_100000211926 [1,1,0,0,0,0|0,0,0]=2 8355 B11R1.24 Nc1cccc(c1)SCCF 62a_100000210019_100011217306 [1,1,0,0,0,0|1,1,0]=4 8356 B11R1.24 Nc1cccc(c1)SCCF 62a_100011217306_100000210019 [1,1,0,0,0,0|1,1,0]=4 8357 B11R1.24 Nc1cccc(c1)SCCO 62a_100000210019_100000211926 [1,1,0,0,0,0|0,1,0]=3 8358 B11R1.24 Nc1cccc(c1)SCCO 62a_100000211926_100000210019 [1,1,0,0,0,0|0,1,0]=3 8359 B11R1.24 Nc1cccc(n1)SCCO 62a_100000211926_100000740741 [1,1,0,0,0,0|1,1,0]=4 8360 B11R1.24 Nc1cccc(n1)SCCO 62a_100000740741_100000211926 [1,1,0,0,0,0|1,1,0]=4 8361 B11R1.24 Nc1ccnc(c1)SCCO 62a_100000211926_100009814236 [1,1,0,0,0,0|1,1,0]=4 8362 B11R1.24 Nc1ccnc(c1)SCCO 62a_100009814236_100000211926 [1,1,0,0,0,0|1,1,0]=4 8363 B11R1.24 Nc1cncc(c1)OCCF 34a_100011997051_100011217306 [1,1,0,0,0,0|2,0,0]=4 8364 B11R1.24 Nc1cncc(c1)OCCO 34a_100011997051_100000211926 [1,1,0,0,0,0|1,0,0]=3 8365 B11R1.24 Nc1cncc(c1)SCCO 62a_100000211926_100000687067 [1,1,0,0,0,0|1,1,0]=4 8366 B11R1.24 Nc1cncc(c1)SCCO 62a_100000687067_100000211926 [1,1,0,0,0,0|1,1,0]=4 8367 B11R1.24 O=CCOc1cccc(c1)Br 34a_100000210342_200009817547 [1,1,0,0,0,0|0,0,2]=4 8368 B11R1.24 O=CCOc1cccc(c1)Br 7a_100000210342_200015260668 [1,1,0,0,0,0|0,0,2]=4 8369 B11R1.24 O=CCOc1cccc(c1)Cl 34a_100000210295_200009817547 [1,1,0,0,0,0|0,0,2]=4 8370 B11R1.24 O=CCOc1cccc(c1)Cl 7a_100000210295_200015260668 [1,1,0,0,0,0|0,0,2]=4 8371 B11R1.24 O=CCOc1cccc(c1)F 34a_100000210426_200009817547 [1,1,0,0,0,0|0,0,2]=4 8372 B11R1.24 O=CCOc1cccc(c1)F 7a_100000210426_200015260668 [1,1,0,0,0,0|0,0,2]=4 8373 B11R1.24 O=CCOc1cccc(c1)I 34a_100000211634_200009817547 [1,1,0,0,0,0|0,0,2]=4 8374 B11R1.24 O=CCOc1cccc(c1)I 7a_100000211634_200015260668 [1,1,0,0,0,0|0,0,2]=4 8375 B11R1.24 O=c1cc(cc[nH]1)NCCO 27a_100000210304_100000061649 [1,1,0,0,0,0|2,0,0]=4 8376 B11R1.24 O=c1cc(cc[nH]1)OCCF 34a_100000032262_100011217306 [1,1,0,0,0,0|2,0,0]=4 8377 B11R1.24 O=c1cc(cc[nH]1)OCCO 34a_100000032262_100000211926 [1,1,0,0,0,0|1,0,0]=3 8378 B11R1.24 O=c1cc(cc[nH]1)SCCO 62a_100000211926_100009816521 [1,1,0,0,0,0|1,1,0]=4 8379 B11R1.24 O=c1cc(cc[nH]1)SCCO 62a_100009816521_100000211926 [1,1,0,0,0,0|1,1,0]=4 8380 B11R1.24 O=c1cc[nH]c(c1)SCCO 62a_100009817434_100000211926 [1,1,0,0,0,0|1,1,0]=4 8381 B11R1.24 O=c1cccc([nH]1)OCCF 34a_100000033347_100011217306 [1,1,0,0,0,0|2,0,0]=4 8382 B11R1.24 O=c1cccc([nH]1)OCCO 34a_100000033347_100000211926 [1,1,0,0,0,0|1,0,0]=3 8383 B11R1.24 O=c1cccc([nH]1)SCCO 62a_100000211926_100000752884 [1,1,0,0,0,0|1,1,0]=4 8384 B11R1.24 OCC#Cc1cccc(c1)O 271570a_203496583355_100009814051 [1,1,0,0,0,0|1,0,1]=4 8385 B11R1.24 OCCCc1cccc(c1)O 271570a_203496583355_100011709248 [1,1,0,0,0,0|1,0,0]=3 8386 B11R1.24 OCCNc1cc(ccn1)F 27a_100000210304_100000764206 [1,1,0,0,0,0|2,0,0]=4 8387 B11R1.24 OCCNc1cccc(c1)Br 34a_100000210019_100000211926 [1,1,0,0,0,0|1,0,0]=3 8388 B11R1.24 OCCNc1cccc(c1)Cl 34a_100000185859_100000211926 [1,1,0,0,0,0|1,0,0]=3 8389 B11R1.24 OCCNc1cccc(c1)F 34a_100000210047_100000211926 [1,1,0,0,0,0|1,0,0]=3 8390 B11R1.24 OCCNc1cccc(c1)I 34a_100000211102_100000211926 [1,1,0,0,0,0|1,0,0]=3 8391 B11R1.24 OCCNc1cccc(c1)O 34a_100000210217_100000211926 [1,1,0,0,0,0|1,0,0]=3 8392 B11R1.24 OCCNc1cccc(n1)F 27a_100000210304_100009815982 [1,1,0,0,0,0|2,0,0]=4 8393 B11R1.24 OCCNc1cccc(n1)O 271570a_203496583355_200011880208 [1,1,0,0,0,0|2,0,0]=4 8394 B11R1.24 OCCNc1ccnc(c1)F 27a_100000210304_100009816116 [1,1,0,0,0,0|2,0,0]=4 8395 B11R1.24 OCCOc1cccc(c1)Br 34a_100000210342_100000211926 [1,1,0,0,0,0|0,0,0]=2 8396 B11R1.24 OCCOc1cccc(c1)Br 7a_100000210342_100000211926 [1,1,0,0,0,0|0,0,0]=2 8397 B11R1.24 OCCOc1cccc(c1)Cl 34a_100000210295_100000211926 [1,1,0,0,0,0|0,0,0]=2 8398 B11R1.24 OCCOc1cccc(c1)Cl 7a_100000210295_100000211926 [1,1,0,0,0,0|0,0,0]=2 8399 B11R1.24 OCCOc1cccc(c1)F 34a_100000210426_100000211926 [1,1,0,0,0,0|0,0,0]=2 8400 B11R1.24 OCCOc1cccc(c1)F 7a_100000210426_100000211926 [1,1,0,0,0,0|0,0,0]=2 8401 B11R1.24 OCCOc1cccc(c1)I 34a_100000211634_100000211926 [1,1,0,0,0,0|0,0,0]=2 8402 B11R1.24 OCCOc1cccc(c1)I 7a_100000211634_100000211926 [1,1,0,0,0,0|0,0,0]=2 8403 B11R1.24 OCCOc1cccc(c1)O 271570a_203496583355_100000757546 [1,1,0,0,0,0|0,0,0]=2 8404 B11R1.24 OCCOc1cccc(n1)F 34a_100011432558_100000211926 [1,1,0,0,0,0|1,0,0]=3 8405 B11R1.24 OCCOc1ccnc(c1)Cl 34a_100000762945_100000211926 [1,1,0,0,0,0|1,0,0]=3 8406 B11R1.24 OCCOc1ccnc(c1)F 34a_100000732698_100000211926 [1,1,0,0,0,0|1,0,0]=3 8407 B11R1.24 OCCOc1cncc(c1)Br 34a_100000754920_100000211926 [1,1,0,0,0,0|1,0,0]=3 8408 B11R1.24 OCCOc1cncc(c1)Br 7a_100000754920_100000211926 [1,1,0,0,0,0|1,0,0]=3 8409 B11R1.24 OCCOc1cncc(c1)Cl 7a_100000032511_100000211926 [1,1,0,0,0,0|1,0,0]=3 8410 B11R1.24 OCCOc1cncc(c1)F 34a_100011830296_100000211926 [1,1,0,0,0,0|1,0,0]=3 8411 B11R1.24 OCCOc1cncc(c1)F 7a_100011830296_100000211926 [1,1,0,0,0,0|1,0,0]=3 8412 B11R1.24 OCCOc1cnnc(c1)Cl 34a_200010734679_100000211926 [1,1,0,0,0,0|2,0,0]=4 8413 B11R1.24 OCCSc1cc(ccn1)Cl 62a_100000211926_100010167805 [1,1,0,0,0,0|1,1,0]=4 8414 B11R1.24 OCCSc1cc(ccn1)Cl 62a_100010167805_100000211926 [1,1,0,0,0,0|1,1,0]=4 8415 B11R1.24 OCCSc1cc(ccn1)F 62a_100000211926_100000764206 [1,1,0,0,0,0|1,1,0]=4 8416 B11R1.24 OCCSc1cc(ccn1)F 62a_100000764206_100000211926 [1,1,0,0,0,0|1,1,0]=4 8417 B11R1.24 OCCSc1cc(ccn1)O 62a_100000211926_100000762945 [1,1,0,0,0,0|1,1,0]=4 8418 B11R1.24 OCCSc1cccc(c1)Br 62a_100000211926_100000691529 [1,1,0,0,0,0|0,1,0]=3 8419 B11R1.24 OCCSc1cccc(c1)Br 62a_100000691529_100000211926 [1,1,0,0,0,0|0,1,0]=3 8420 B11R1.24 OCCSc1cccc(c1)Cl 62a_100000211926_100000699651 [1,1,0,0,0,0|0,1,0]=3 8421 B11R1.24 OCCSc1cccc(c1)Cl 62a_100000699651_100000211926 [1,1,0,0,0,0|0,1,0]=3 8422 B11R1.24 OCCSc1cccc(c1)F 62a_100000211926_100000685547 [1,1,0,0,0,0|0,1,0]=3 8423 B11R1.24 OCCSc1cccc(c1)F 62a_100000685547_100000211926 [1,1,0,0,0,0|0,1,0]=3 8424 B11R1.24 OCCSc1cccc(c1)O 271570a_203496583355_200011756134 [1,1,0,0,0,0|0,1,0]=3 8425 B11R1.24 OCCSc1cccc(c1)O 62a_100000211926_100000211634 [1,1,0,0,0,0|0,1,0]=3 8426 B11R1.24 OCCSc1cccc(c1)[S] 62a_100000211926_114929384022 [1,1,0,0,0,0|0,1,0]=3 8427 B11R1.24 OCCSc1cccc(c1)[S] 62a_114929384022_100000211926 [1,1,0,0,0,0|0,1,0]=3 8428 B11R1.24 OCCSc1cccc(n1)Br 62a_100000211926_100000684672 [1,1,0,0,0,0|1,1,0]=4 8429 B11R1.24 OCCSc1cccc(n1)Br 62a_100000684672_100000211926 [1,1,0,0,0,0|1,1,0]=4 8430 B11R1.24 OCCSc1cccc(n1)Cl 62a_100000051397_100000211926 [1,1,0,0,0,0|1,1,0]=4 8431 B11R1.24 OCCSc1cccc(n1)Cl 62a_100000211926_100000051397 [1,1,0,0,0,0|1,1,0]=4 8432 B11R1.24 OCCSc1cccc(n1)F 62a_100000211926_100009815982 [1,1,0,0,0,0|1,1,0]=4 8433 B11R1.24 OCCSc1cccc(n1)F 62a_100009815982_100000211926 [1,1,0,0,0,0|1,1,0]=4 8434 B11R1.24 OCCSc1ccnc(c1)Br 62a_100000211926_100009814637 [1,1,0,0,0,0|1,1,0]=4 8435 B11R1.24 OCCSc1ccnc(c1)Br 62a_100009814637_100000211926 [1,1,0,0,0,0|1,1,0]=4 8436 B11R1.24 OCCSc1ccnc(c1)Cl 62a_100000035001_100000211926 [1,1,0,0,0,0|1,1,0]=4 8437 B11R1.24 OCCSc1ccnc(c1)Cl 62a_100000211926_100000035001 [1,1,0,0,0,0|1,1,0]=4 8438 B11R1.24 OCCSc1ccnc(c1)F 62a_100000211926_100009816116 [1,1,0,0,0,0|1,1,0]=4 8439 B11R1.24 OCCSc1ccnc(c1)F 62a_100009816116_100000211926 [1,1,0,0,0,0|1,1,0]=4 8440 B11R1.24 OCCSc1cncc(c1)Br 62a_100000211926_100000728054 [1,1,0,0,0,0|1,1,0]=4 8441 B11R1.24 OCCSc1cncc(c1)Br 62a_100000728054_100000211926 [1,1,0,0,0,0|1,1,0]=4 8442 B11R1.24 OCCSc1cncc(c1)Cl 62a_100000049639_100000211926 [1,1,0,0,0,0|1,1,0]=4 8443 B11R1.24 OCCSc1cncc(c1)Cl 62a_100000211926_100000049639 [1,1,0,0,0,0|1,1,0]=4 8444 B11R1.24 OCCSc1cncc(c1)F 62a_100000211926_100000744099 [1,1,0,0,0,0|1,1,0]=4 8445 B11R1.24 OCCSc1cncc(c1)F 62a_100000744099_100000211926 [1,1,0,0,0,0|1,1,0]=4 8446 B11R1.24 OCCSc1cncc(c1)O 62a_100000211926_100000754920 [1,1,0,0,0,0|1,1,0]=4 8447 B11R1.24 OCCSc1cncc(c1)O 62a_100000754920_100000211926 [1,1,0,0,0,0|1,1,0]=4 8448 B11R1.24 Oc1cccc(c1)NCCF 34a_100000210217_100011217306 [1,1,0,0,0,0|2,0,0]=4 8449 B11R1.24 Oc1cccc(c1)SCCF 62a_100011217306_100000211634 [1,1,0,0,0,0|1,1,0]=4 8450 B11R1.24 [O-][n+]1cccc(c1)OCCF 34a_100000039713_100011217306 [1,1,0,0,0,0|2,0,0]=4 8451 B11R1.24 [O-][n+]1cccc(c1)OCCF 7a_100000039713_100011217306 [1,1,0,0,0,0|2,0,0]=4 8452 B11R1.24 [O-][n+]1cccc(c1)OCCO 34a_100000039713_100000211926 [1,1,0,0,0,0|1,0,0]=3 8453 B11R1.24 [O-][n+]1cccc(c1)OCCO 7a_100000039713_100000211926 [1,1,0,0,0,0|1,0,0]=3 8454 B11R1.24 [O-][n+]1cccc(c1)SCCO 62a_100000211926_100009815978 [1,1,0,0,0,0|1,1,0]=4 8455 B11R1.28 BrCCOCc1ccccc1 34a_100000211926_100015291786 [1,1,0,0,0,0|1,0,0]=3 8456 B11R1.28 BrCCOCc1ccccn1 34a_100000211926_100000721315 [1,1,0,0,0,0|2,0,0]=4 8457 B11R1.28 BrCCOCc1cccnc1 34a_100000211926_100000733263 [1,1,0,0,0,0|2,0,0]=4 8458 B11R1.28 C#CCCNc1ccccc1 34a_100000106764_100000688953 [1,1,0,0,0,0|2,0,0]=4 8459 B11R1.28 C#CCCOc1ccccc1 34a_100000210340_100000688953 [1,1,0,0,0,0|1,0,0]=3 8460 B11R1.28 C#CCCOc1ccccc1 7a_100000210340_100000688953 [1,1,0,0,0,0|1,0,0]=3 8461 B11R1.28 C#CCCOc1cccnc1 34a_100000210849_100000688953 [1,1,0,0,0,0|2,0,0]=4 8462 B11R1.28 C#CCCOc1cccnc1 7a_100000210849_100000688953 [1,1,0,0,0,0|2,0,0]=4 8463 B11R1.28 C#CCCOc1ccncc1 34a_100000212176_100000688953 [1,1,0,0,0,0|2,0,0]=4 8464 B11R1.28 C#CCCSc1ccccc1 62a_100000688953_100000041952 [1,1,0,0,0,0|1,1,0]=4 8465 B11R1.28 C#CCCSc1ccccc1 62a_100000719477_100000688953 [1,1,0,0,0,0|1,1,0]=4 8466 B11R1.28 C#CCOCc1ccccc1 34a_100000210247_100015291786 [1,1,0,0,0,0|1,0,1]=4 8467 B11R1.28 C#CCOCc1ccccc1 34a_100000210790_100000184674 [1,1,0,0,0,0|1,0,1]=4 8468 B11R1.28 C#CCOCc1ccccc1 7a_100000210790_100000038162 [1,1,0,0,0,0|1,0,1]=4 8469 B11R1.28 C/C=C/COc1ccccc1 34a_100000210340_100102629194 [1,1,0,0,0,0|1,0,1]=4 8470 B11R1.28 C/C=C/COc1ccccc1 7a_100000210340_100102629194 [1,1,0,0,0,0|1,0,1]=4 8471 B11R1.28 C=CCCNc1ccccc1 34a_100000106764_100000754431 [1,1,0,0,0,0|2,0,0]=4 8472 B11R1.28 C=CCCOc1ccccc1 34a_100000210340_100000754431 [1,1,0,0,0,0|1,0,0]=3 8473 B11R1.28 C=CCCOc1ccccc1 7a_100000210340_100000754431 [1,1,0,0,0,0|1,0,0]=3 8474 B11R1.28 C=CCCOc1cccnc1 34a_100000210849_100000754431 [1,1,0,0,0,0|2,0,0]=4 8475 B11R1.28 C=CCCOc1cccnc1 7a_100000210849_100000754431 [1,1,0,0,0,0|2,0,0]=4 8476 B11R1.28 C=CCCOc1ccncc1 34a_100000212176_100000754431 [1,1,0,0,0,0|2,0,0]=4 8477 B11R1.28 C=CCCSc1ccccc1 62a_100000719477_100000754431 [1,1,0,0,0,0|1,1,0]=4 8478 B11R1.28 C=CCCSc1ccccc1 62a_100000754431_100000041952 [1,1,0,0,0,0|1,1,0]=4 8479 B11R1.28 C=CCOCc1ccccc1 34a_100000210790_100015514636 [1,1,0,0,0,0|1,0,1]=4 8480 B11R1.28 C=CCOCc1ccccc1 34a_200000210373_100015291786 [1,1,0,0,0,0|1,0,1]=4 8481 B11R1.28 C=CCOCc1ccccc1 7a_100000210790_100015514636 [1,1,0,0,0,0|1,0,1]=4 8482 B11R1.28 CC#CCOc1ccccc1 34a_100000210340_100000748600 [1,1,0,0,0,0|1,0,1]=4 8483 B11R1.28 CC#CCOc1ccccc1 7a_100000210340_100000748600 [1,1,0,0,0,0|1,0,1]=4 8484 B11R1.28 CC=CCOc1ccccc1 34a_100000210340_100000070051 [1,1,0,0,0,0|1,0,1]=4 8485 B11R1.28 CC=CCOc1ccccc1 7a_100000210340_100000070051 [1,1,0,0,0,0|1,0,1]=4 8486 B11R1.28 CCCC=Cc1ccccc1 271570a_100016258520_100000210277 [1,1,0,0,0,0|2,0,0]=4 8487 B11R1.28 CCCCNc1ccccc1 34a_100000106764_100000210210 [1,1,0,0,0,0|2,0,0]=4 8488 B11R1.28 CCCCOc1ccccc1 34a_100000210340_100000210210 [1,1,0,0,0,0|1,0,0]=3 8489 B11R1.28 CCCCOc1ccccc1 7a_100000210340_100000210211 [1,1,0,0,0,0|1,0,0]=3 8490 B11R1.28 CCCCOc1cccnc1 34a_100000210849_100000210210 [1,1,0,0,0,0|2,0,0]=4 8491 B11R1.28 CCCCOc1cccnc1 7a_100000210849_100000210211 [1,1,0,0,0,0|2,0,0]=4 8492 B11R1.28 CCCCOc1ccncc1 34a_100000212176_100000210210 [1,1,0,0,0,0|2,0,0]=4 8493 B11R1.28 CCCCSc1ccccc1 62a_100000210211_100000041952 [1,1,0,0,0,0|1,1,0]=4 8494 B11R1.28 CCCCSc1ccccc1 62a_100000719477_100000210210 [1,1,0,0,0,0|1,1,0]=4 8495 B11R1.28 CCCNCc1ccccc1 207a_100020643023_100015611070 [1,1,0,0,0,0|2,0,0]=4 8496 B11R1.28 CCCNCc1ccccc1 2230a_100015324214_100000210303 [1,1,0,0,0,0|2,0,0]=4 8497 B11R1.28 CCCNCc1ccccc1 270004a_100020643023_100015611070 [1,1,0,0,0,0|2,0,0]=4 8498 B11R1.28 CCCNCc1ccccc1 34a_100015324214_100000210303 [1,1,0,0,0,0|2,0,0]=4 8499 B11R1.28 CCCOCc1ccccc1 34a_100000210258_100015291786 [1,1,0,0,0,0|1,0,0]=3 8500 B11R1.28 CCCOCc1ccccc1 34a_100000210790_100000210303 [1,1,0,0,0,0|1,0,0]=3 8501 B11R1.28 CCCOCc1ccccc1 7a_100000210790_100000210303 [1,1,0,0,0,0|1,0,0]=3 8502 B11R1.28 CCCOCc1ccccn1 34a_100000210258_100000721315 [1,1,0,0,0,0|2,0,0]=4 8503 B11R1.28 CCCOCc1cccnc1 34a_100000210258_100000733263 [1,1,0,0,0,0|2,0,0]=4 8504 B11R1.28 CCCSCc1ccccc1 62a_100000210303_100015291786 [1,1,0,0,0,0|1,1,0]=4 8505 B11R1.28 CCCSCc1ccccc1 62a_100000211182_100000210303 [1,1,0,0,0,0|1,1,0]=4 8506 B11R1.28 CCNCCc1ccccc1 2230a_100000106460_100000210202 [1,1,0,0,0,0|2,0,0]=4 8507 B11R1.28 CCNCCc1ccccc1 2230a_100015525214_100000765856 [1,1,0,0,0,0|2,0,0]=4 8508 B11R1.28 CCNCCc1ccccc1 34a_100000106460_100000210202 [1,1,0,0,0,0|2,0,0]=4 8509 B11R1.28 CCNCSc1ccccc1 2230a_100015525214_100011218342 [1,1,0,0,0,0|1,1,0]=4 8510 B11R1.28 CCOCCc1ccccc1 34a_100000210268_100000210202 [1,1,0,0,0,0|2,0,0]=4 8511 B11R1.28 CCOCCc1ccccc1 34a_100121572206_100000765856 [1,1,0,0,0,0|2,0,0]=4 8512 B11R1.28 CCOCCc1ccccc1 7a_100000210268_100000210202 [1,1,0,0,0,0|2,0,0]=4 8513 B11R1.28 CCOCSc1ccccc1 62a_100000719477_100000739092 [1,1,0,0,0,0|1,1,0]=4 8514 B11R1.28 CCOCSc1ccccc1 62a_100000739092_100000041952 [1,1,0,0,0,0|1,1,0]=4 8515 B11R1.28 CCSCCc1ccccc1 62a_100000210202_100011218657 [1,1,0,0,0,0|2,0,0]=4 8516 B11R1.28 CCSCCc1ccccc1 62a_100000765856_100000210202 [1,1,0,0,0,0|2,0,0]=4 8517 B11R1.28 CCSCSc1ccccc1 62a_100000210202_100011218342 [1,1,0,0,0,0|1,1,0]=4 8518 B11R1.28 CCSCSc1ccccc1 62a_100011218342_100000210202 [1,1,0,0,0,0|1,1,0]=4 8519 B11R1.28 CNCCCc1ccccc1 2230a_100000211184_200000210301 [1,1,0,0,0,0|2,0,0]=4 8520 B11R1.28 CNCCCc1ccccc1 2230a_106832991635_100000211621 [1,1,0,0,0,0|2,0,0]=4 8521 B11R1.28 CNCCCc1ccccc1 34a_100000211184_200000210301 [1,1,0,0,0,0|2,0,0]=4 8522 B11R1.28 CNCCCc1ccccc1 34a_100102657272_100000211621 [1,1,0,0,0,0|2,0,0]=4 8523 B11R1.28 CNCCCc1ccccc1 7a_106832991635_100000211621 [1,1,0,0,0,0|2,0,0]=4 8524 B11R1.28 CNCCOc1ccccc1 2230a_100000174943_200000210301 [1,1,0,0,0,0|1,0,0]=3 8525 B11R1.28 CNCCOc1ccccc1 2230a_106832991635_100000184471 [1,1,0,0,0,0|1,0,0]=3 8526 B11R1.28 CNCCOc1ccccc1 270004a_106832991635_100000758736 [1,1,0,0,0,0|1,0,0]=3 8527 B11R1.28 CNCCOc1ccccc1 34a_100000174943_200000210301 [1,1,0,0,0,0|1,0,0]=3 8528 B11R1.28 CNCCOc1ccccc1 34a_100102657272_100000184471 [1,1,0,0,0,0|1,0,0]=3 8529 B11R1.28 CNCCOc1ccccc1 7a_106832991635_100000184471 [1,1,0,0,0,0|1,0,0]=3 8530 B11R1.28 CNCCOc1ccccn1 2230a_106741647558_200000210301 [1,1,0,0,0,0|2,0,0]=4 8531 B11R1.28 CNCCOc1cccnc1 2230a_100000754688_200000210301 [1,1,0,0,0,0|2,0,0]=4 8532 B11R1.28 CNCCSc1ccccc1 2230a_100000189519_200000210301 [1,1,0,0,0,0|1,1,0]=4 8533 B11R1.28 CNCCSc1ccccc1 2230a_106832991635_100000246102 [1,1,0,0,0,0|1,1,0]=4 8534 B11R1.28 CNCCSc1ccccc1 34a_100102657272_100000246102 [1,1,0,0,0,0|1,1,0]=4 8535 B11R1.28 CNCCSc1ccccc1 7a_106832991635_100000246102 [1,1,0,0,0,0|1,1,0]=4 8536 B11R1.28 CNCOCc1ccccc1 2230a_106832991635_100000763385 [1,1,0,0,0,0|2,0,0]=4 8537 B11R1.28 CNCOCc1ccccc1 34a_100102657272_100000763385 [1,1,0,0,0,0|2,0,0]=4 8538 B11R1.28 COC/C=C/c1ccccc1 34a_100000210256_200000210301 [1,1,0,0,0,0|1,0,1]=4 8539 B11R1.28 COC/C=C/c1ccccc1 34a_100138415774_100016265936 [1,1,0,0,0,0|1,0,1]=4 8540 B11R1.28 COCC#Cc1ccccc1 34a_100011217464_200000210301 [1,1,0,0,0,0|1,0,1]=4 8541 B11R1.28 COCC#Cc1ccccc1 34a_100138415774_100011352542 [1,1,0,0,0,0|1,0,1]=4 8542 B11R1.28 COCC#Cc1ccccc1 7a_100011217464_200000210301 [1,1,0,0,0,0|1,0,1]=4 8543 B11R1.28 COCC=Cc1ccccc1 271570a_100016286323_100000210277 [1,1,0,0,0,0|1,0,1]=4 8544 B11R1.28 COCCCc1ccccc1 34a_100000210828_200000210301 [1,1,0,0,0,0|1,0,0]=3 8545 B11R1.28 COCCCc1ccccc1 34a_100138415774_100000211621 [1,1,0,0,0,0|1,0,0]=3 8546 B11R1.28 COCCCc1ccccc1 7a_100000210828_200000210301 [1,1,0,0,0,0|1,0,0]=3 8547 B11R1.28 COCCCc1ccccn1 34a_100011215068_200000210301 [1,1,0,0,0,0|2,0,0]=4 8548 B11R1.28 COCCCc1cccnc1 34a_100000211284_200000210301 [1,1,0,0,0,0|2,0,0]=4 8549 B11R1.28 COCCCc1ccncc1 34a_100000210659_200000210301 [1,1,0,0,0,0|2,0,0]=4 8550 B11R1.28 COCCNc1ccccc1 34a_100000106764_100011201679 [1,1,0,0,0,0|1,0,0]=3 8551 B11R1.28 COCCNc1ccccc1 34a_100000211345_200000210301 [1,1,0,0,0,0|1,0,0]=3 8552 B11R1.28 COCCNc1ccncc1 34a_200011243140_200000210301 [1,1,0,0,0,0|2,0,0]=4 8553 B11R1.28 COCCOc1ccccc1 34a_100000210260_200000210301 [1,1,0,0,0,0|0,0,0]=2 8554 B11R1.28 COCCOc1ccccc1 34a_100000210340_100011201679 [1,1,0,0,0,0|0,0,0]=2 8555 B11R1.28 COCCOc1ccccc1 34a_100138415774_100000184471 [1,1,0,0,0,0|0,0,0]=2 8556 B11R1.28 COCCOc1ccccc1 7a_100000210260_200000210301 [1,1,0,0,0,0|0,0,0]=2 8557 B11R1.28 COCCOc1ccccc1 7a_100000210340_100000233755 [1,1,0,0,0,0|0,0,0]=2 8558 B11R1.28 COCCOc1cccnc1 34a_100000210849_100011201679 [1,1,0,0,0,0|1,0,0]=3 8559 B11R1.28 COCCOc1cccnc1 7a_100000210849_100000233755 [1,1,0,0,0,0|1,0,0]=3 8560 B11R1.28 COCCOc1ccncc1 34a_100000212176_100011201679 [1,1,0,0,0,0|1,0,0]=3 8561 B11R1.28 COCCOc1ccnnc1 34a_100015204005_100011201679 [1,1,0,0,0,0|2,0,0]=4 8562 B11R1.28 COCCOc1cncnc1 7a_100000754086_100000233755 [1,1,0,0,0,0|2,0,0]=4 8563 B11R1.28 COCCSc1ccccc1 34a_100138415774_100000246102 [1,1,0,0,0,0|0,1,0]=3 8564 B11R1.28 COCCSc1ccccc1 62a_100000233755_100000041952 [1,1,0,0,0,0|0,1,0]=3 8565 B11R1.28 COCCSc1ccccc1 62a_100000719477_100000233755 [1,1,0,0,0,0|0,1,0]=3 8566 B11R1.28 COCCSc1ccccc1 7a_100000230494_200000210301 [1,1,0,0,0,0|0,1,0]=3 8567 B11R1.28 COCCSc1ccccn1 62a_100000233755_100011216584 [1,1,0,0,0,0|1,1,0]=4 8568 B11R1.28 COCCSc1ccccn1 62a_100011216584_100000233755 [1,1,0,0,0,0|1,1,0]=4 8569 B11R1.28 COCCSc1ccccn1 7a_100000156319_200000210301 [1,1,0,0,0,0|1,1,0]=4 8570 B11R1.28 COCCSc1cccnc1 62a_100000210063_100000233755 [1,1,0,0,0,0|1,1,0]=4 8571 B11R1.28 COCCSc1cccnc1 62a_100000233755_100000210063 [1,1,0,0,0,0|1,1,0]=4 8572 B11R1.28 COCCSc1ccncc1 62a_100000233755_100000728582 [1,1,0,0,0,0|1,1,0]=4 8573 B11R1.28 COCCSc1ccncc1 62a_100000728582_100000233755 [1,1,0,0,0,0|1,1,0]=4 8574 B11R1.28 COCNCc1ccccc1 2230a_100015324214_100000766300 [1,1,0,0,0,0|2,0,0]=4 8575 B11R1.28 COCOCc1ccccc1 34a_100138415774_100000763385 [1,1,0,0,0,0|2,0,0]=4 8576 B11R1.28 COCSCc1ccccc1 34a_100138415774_200011217039 [1,1,0,0,0,0|2,0,0]=4 8577 B11R1.28 COCSCc1ccccc1 62a_100000211182_100000766300 [1,1,0,0,0,0|2,0,0]=4 8578 B11R1.28 COCSCc1ccccc1 62a_100000766300_100015291786 [1,1,0,0,0,0|2,0,0]=4 8579 B11R1.28 CSCCCc1ccccc1 62a_100000211621_200000210301 [1,1,0,0,0,0|1,1,0]=4 8580 B11R1.28 CSCCCc1ccccc1 62a_200000210301_100000211621 [1,1,0,0,0,0|1,1,0]=4 8581 B11R1.28 CSCCNc1ccccc1 34a_100000106764_100000212216 [1,1,0,0,0,0|1,1,0]=4 8582 B11R1.28 CSCCOc1ccccc1 34a_100000210340_100000212216 [1,1,0,0,0,0|0,1,0]=3 8583 B11R1.28 CSCCOc1ccccc1 62a_100000184471_200000210301 [1,1,0,0,0,0|0,1,0]=3 8584 B11R1.28 CSCCOc1ccccc1 62a_200000210301_100000184471 [1,1,0,0,0,0|0,1,0]=3 8585 B11R1.28 CSCCOc1ccccc1 7a_100000210340_100000212216 [1,1,0,0,0,0|0,1,0]=3 8586 B11R1.28 CSCCOc1cccnc1 34a_100000210849_100000212216 [1,1,0,0,0,0|1,1,0]=4 8587 B11R1.28 CSCCOc1cccnc1 7a_100000210849_100000212216 [1,1,0,0,0,0|1,1,0]=4 8588 B11R1.28 CSCCOc1ccncc1 34a_100000212176_100000212216 [1,1,0,0,0,0|1,1,0]=4 8589 B11R1.28 CSCCSc1ccccc1 62a_100000212216_100000041952 [1,1,0,0,0,0|0,2,0]=4 8590 B11R1.28 CSCCSc1ccccc1 62a_100000246102_200000210301 [1,1,0,0,0,0|0,2,0]=4 8591 B11R1.28 CSCCSc1ccccc1 62a_100000719477_100000751147 [1,1,0,0,0,0|0,2,0]=4 8592 B11R1.28 CSCCSc1ccccc1 62a_200000210301_100000246102 [1,1,0,0,0,0|0,2,0]=4 8593 B11R1.28 CSCOCc1ccccc1 34a_100000210790_100011218213 [1,1,0,0,0,0|2,0,0]=4 8594 B11R1.28 CSCOCc1ccccc1 62a_100000763385_200000210301 [1,1,0,0,0,0|2,0,0]=4 8595 B11R1.28 CSCOCc1ccccc1 62a_200000210301_100000763385 [1,1,0,0,0,0|2,0,0]=4 8596 B11R1.28 FCCCNc1ccccc1 34a_100000106764_100011934791 [1,1,0,0,0,0|2,0,0]=4 8597 B11R1.28 FCCCOc1ccccc1 34a_100000210340_100011934791 [1,1,0,0,0,0|1,0,0]=3 8598 B11R1.28 FCCCOc1ccccc1 7a_100000210340_100011934791 [1,1,0,0,0,0|1,0,0]=3 8599 B11R1.28 FCCCOc1cccnc1 34a_100000210849_100011934791 [1,1,0,0,0,0|2,0,0]=4 8600 B11R1.28 FCCCOc1cccnc1 7a_100000210849_100011934791 [1,1,0,0,0,0|2,0,0]=4 8601 B11R1.28 FCCCOc1ccncc1 34a_100000212176_100011934791 [1,1,0,0,0,0|2,0,0]=4 8602 B11R1.28 FCCCSc1ccccc1 62a_100000719477_100011934791 [1,1,0,0,0,0|1,1,0]=4 8603 B11R1.28 FCCCSc1ccccc1 62a_100011934791_100000041952 [1,1,0,0,0,0|1,1,0]=4 8604 B11R1.28 FCCNCc1ccccc1 2230a_100015324214_100011217306 [1,1,0,0,0,0|2,0,0]=4 8605 B11R1.28 FCCNCc1ccccc1 34a_100000724931_100015291786 [1,1,0,0,0,0|2,0,0]=4 8606 B11R1.28 FCCNCc1ccccc1 34a_100015324214_100011217306 [1,1,0,0,0,0|2,0,0]=4 8607 B11R1.28 FCCOCc1ccccc1 34a_100000210790_100011217306 [1,1,0,0,0,0|1,0,0]=3 8608 B11R1.28 FCCOCc1ccccc1 7a_100000210790_100011217306 [1,1,0,0,0,0|1,0,0]=3 8609 B11R1.28 FCCSCc1ccccc1 62a_100000211182_100011217306 [1,1,0,0,0,0|1,1,0]=4 8610 B11R1.28 FCCSCc1ccccc1 62a_100011217306_100015291786 [1,1,0,0,0,0|1,1,0]=4 8611 B11R1.28 FCNCCc1ccccc1 34a_100000106460_100015361967 [1,1,0,0,0,0|2,0,0]=4 8612 B11R1.28 FCOCCc1ccccc1 34a_100000210268_100015361967 [1,1,0,0,0,0|2,0,0]=4 8613 B11R1.28 FCOCCc1ccccc1 7a_100000210268_100015361967 [1,1,0,0,0,0|2,0,0]=4 8614 B11R1.28 FCSCCc1ccccc1 62a_100000765856_100015361967 [1,1,0,0,0,0|2,0,0]=4 8615 B11R1.28 FCSCCc1ccccc1 62a_100015361967_100011218657 [1,1,0,0,0,0|2,0,0]=4 8616 B11R1.28 FCSCSc1ccccc1 62a_100011218342_100015361967 [1,1,0,0,0,0|1,1,0]=4 8617 B11R1.28 FCSCSc1ccccc1 62a_100015361967_100011218342 [1,1,0,0,0,0|1,1,0]=4 8618 B11R1.28 N#CCCOc1ccccc1 7a_100000210340_100000184422 [1,1,0,0,0,0|1,0,0]=3 8619 B11R1.28 N#CCCOc1cccnc1 7a_100000210849_100000184422 [1,1,0,0,0,0|2,0,0]=4 8620 B11R1.28 N#CCCSc1ccccc1 62a_100000719477_100011215226 [1,1,0,0,0,0|1,1,0]=4 8621 B11R1.28 N#CCCSc1ccccc1 62a_100011215226_100000041952 [1,1,0,0,0,0|1,1,0]=4 8622 B11R1.28 N#CCOCc1ccccc1 7a_100000210790_100011215382 [1,1,0,0,0,0|1,0,1]=4 8623 B11R1.28 NCCOCc1ccccc1 34a_100000210304_100015291786 [1,1,0,0,0,0|1,0,0]=3 8624 B11R1.28 NCCOCc1ccccn1 34a_100000210304_100000721315 [1,1,0,0,0,0|2,0,0]=4 8625 B11R1.28 NCCOCc1cccnc1 34a_100000210304_100000733263 [1,1,0,0,0,0|2,0,0]=4 8626 B11R1.28 O=CCOCc1ccccc1 34a_100000210790_200009817547 [1,1,0,0,0,0|0,0,2]=4 8627 B11R1.28 O=CCOCc1ccccc1 7a_100000210790_200015260668 [1,1,0,0,0,0|0,0,2]=4 8628 B11R1.28 OCCCNc1ccccc1 34a_100000106764_100000230001 [1,1,0,0,0,0|1,0,0]=3 8629 B11R1.28 OCCCOc1ccccc1 34a_100000210340_100000230001 [1,1,0,0,0,0|0,0,0]=2 8630 B11R1.28 OCCCOc1ccccc1 7a_100000210340_100011215043 [1,1,0,0,0,0|0,0,0]=2 8631 B11R1.28 OCCCOc1cccnc1 34a_100000210849_100000230001 [1,1,0,0,0,0|1,0,0]=3 8632 B11R1.28 OCCCOc1cccnc1 7a_100000210849_100011215043 [1,1,0,0,0,0|1,0,0]=3 8633 B11R1.28 OCCCOc1ccncc1 34a_100000212176_100000230001 [1,1,0,0,0,0|1,0,0]=3 8634 B11R1.28 OCCCOc1ccnnc1 34a_100015204005_100000230001 [1,1,0,0,0,0|2,0,0]=4 8635 B11R1.28 OCCCOc1cncnc1 7a_100000754086_100011215043 [1,1,0,0,0,0|2,0,0]=4 8636 B11R1.28 OCCCSc1ccccc1 62a_100000719477_100011215043 [1,1,0,0,0,0|0,1,0]=3 8637 B11R1.28 OCCCSc1ccccc1 62a_100011215043_100000041952 [1,1,0,0,0,0|0,1,0]=3 8638 B11R1.28 OCCCSc1ccccn1 62a_100011215043_100011216584 [1,1,0,0,0,0|1,1,0]=4 8639 B11R1.28 OCCCSc1ccccn1 62a_100011216584_100011215043 [1,1,0,0,0,0|1,1,0]=4 8640 B11R1.28 OCCCSc1cccnc1 62a_100000210063_100011215043 [1,1,0,0,0,0|1,1,0]=4 8641 B11R1.28 OCCCSc1cccnc1 62a_100011215043_100000210063 [1,1,0,0,0,0|1,1,0]=4 8642 B11R1.28 OCCCSc1ccncc1 62a_100000728582_100011215043 [1,1,0,0,0,0|1,1,0]=4 8643 B11R1.28 OCCCSc1ccncc1 62a_100011215043_100000728582 [1,1,0,0,0,0|1,1,0]=4 8644 B11R1.28 OCCNCc1ccccc1 207a_100000210304_100015611070 [1,1,0,0,0,0|1,0,0]=3 8645 B11R1.28 OCCNCc1ccccc1 2230a_100015324214_100000211926 [1,1,0,0,0,0|1,0,0]=3 8646 B11R1.28 OCCNCc1ccccc1 2230a_100016997473_100015291786 [1,1,0,0,0,0|1,0,0]=3 8647 B11R1.28 OCCNCc1ccccc1 270004a_100000210304_100015611070 [1,1,0,0,0,0|1,0,0]=3 8648 B11R1.28 OCCNCc1ccccc1 34a_100015324214_100000211926 [1,1,0,0,0,0|1,0,0]=3 8649 B11R1.28 OCCNCc1ccccc1 34a_100016990907_100015291786 [1,1,0,0,0,0|1,0,0]=3 8650 B11R1.28 OCCNCc1ccccn1 207a_100000210304_100000209966 [1,1,0,0,0,0|2,0,0]=4 8651 B11R1.28 OCCNCc1ccccn1 2230a_100016997473_100000721315 [1,1,0,0,0,0|2,0,0]=4 8652 B11R1.28 OCCNCc1ccccn1 270004a_100000210304_100000209966 [1,1,0,0,0,0|2,0,0]=4 8653 B11R1.28 OCCNCc1ccccn1 34a_100016990907_100000721315 [1,1,0,0,0,0|2,0,0]=4 8654 B11R1.28 OCCNCc1cccnc1 207a_100000210304_100000209961 [1,1,0,0,0,0|2,0,0]=4 8655 B11R1.28 OCCNCc1cccnc1 2230a_100016997473_100000741622 [1,1,0,0,0,0|2,0,0]=4 8656 B11R1.28 OCCNCc1cccnc1 270004a_100000210304_100000209961 [1,1,0,0,0,0|2,0,0]=4 8657 B11R1.28 OCCNCc1cccnc1 34a_100016990907_100000733263 [1,1,0,0,0,0|2,0,0]=4 8658 B11R1.28 OCCNCc1ccncc1 207a_100000210304_100000186114 [1,1,0,0,0,0|2,0,0]=4 8659 B11R1.28 OCCNCc1ccncc1 2230a_100016997473_100015193705 [1,1,0,0,0,0|2,0,0]=4 8660 B11R1.28 OCCOCc1ccccc1 34a_100000210790_100000211926 [1,1,0,0,0,0|0,0,0]=2 8661 B11R1.28 OCCOCc1ccccc1 7a_100000210790_100000211926 [1,1,0,0,0,0|0,0,0]=2 8662 B11R1.28 OCCSCc1ccccc1 62a_100000211182_100000211926 [1,1,0,0,0,0|0,1,0]=3 8663 B11R1.28 OCCSCc1ccccc1 62a_100000211926_100015291786 [1,1,0,0,0,0|0,1,0]=3 8664 B11R1.28 OCCSCc1ccccn1 62a_100000211926_100000721315 [1,1,0,0,0,0|1,1,0]=4 8665 B11R1.28 OCCSCc1ccccn1 62a_100000721315_100000211926 [1,1,0,0,0,0|1,1,0]=4 8666 B11R1.28 OCCSCc1cccnc1 62a_100000211926_100000741622 [1,1,0,0,0,0|1,1,0]=4 8667 B11R1.28 OCCSCc1cccnc1 62a_100000741622_100000211926 [1,1,0,0,0,0|1,1,0]=4 8668 B11R1.28 OCCSCc1ccncc1 62a_100000211926_100015193705 [1,1,0,0,0,0|1,1,0]=4 8669 B11R1.28 OCCSCc1ccncc1 62a_100015193705_100000211926 [1,1,0,0,0,0|1,1,0]=4 8670 B11R1.28 [13CH3]NCCCc1ccccc1 2230a_100000211184_200025704644 [1,1,0,0,0,0|2,0,0]=4 8671 B11R1.28 [13CH3]NCCCc1ccccc1 34a_100000211184_200025704644 [1,1,0,0,0,0|2,0,0]=4 8672 B11R1.28 [13CH3]NCCOc1ccccc1 2230a_100000174943_200025704644 [1,1,0,0,0,0|1,0,0]=3 8673 B11R1.28 [13CH3]NCCOc1ccccc1 34a_100000174943_200025704644 [1,1,0,0,0,0|1,0,0]=3 8674 B11R1.28 [13CH3]NCCOc1ccccn1 2230a_106741647558_200025704644 [1,1,0,0,0,0|2,0,0]=4 8675 B11R1.28 [13CH3]NCCOc1cccnc1 2230a_100000754688_200025704644 [1,1,0,0,0,0|2,0,0]=4 8676 B11R1.28 [13CH3]NCCSc1ccccc1 2230a_100000189519_200025704644 [1,1,0,0,0,0|1,1,0]=4 8677 B11R1.28 [13CH3]OC/C=C/c1ccccc1 34a_100000210256_200025704644 [1,1,0,0,0,0|1,0,1]=4 8678 B11R1.28 [13CH3]OCC#Cc1ccccc1 34a_100011217464_200025704644 [1,1,0,0,0,0|1,0,1]=4 8679 B11R1.28 [13CH3]OCC#Cc1ccccc1 7a_100011217464_200025704644 [1,1,0,0,0,0|1,0,1]=4 8680 B11R1.28 [13CH3]OCCCc1ccccc1 34a_100000210828_200025704644 [1,1,0,0,0,0|1,0,0]=3 8681 B11R1.28 [13CH3]OCCCc1ccccc1 7a_100000210828_200025704644 [1,1,0,0,0,0|1,0,0]=3 8682 B11R1.28 [13CH3]OCCCc1ccccn1 34a_100011215068_200025704644 [1,1,0,0,0,0|2,0,0]=4 8683 B11R1.28 [13CH3]OCCCc1cccnc1 34a_100000211284_200025704644 [1,1,0,0,0,0|2,0,0]=4 8684 B11R1.28 [13CH3]OCCCc1ccncc1 34a_100000210659_200025704644 [1,1,0,0,0,0|2,0,0]=4 8685 B11R1.28 [13CH3]OCCNc1ccccc1 34a_100000211345_200025704644 [1,1,0,0,0,0|1,0,0]=3 8686 B11R1.28 [13CH3]OCCNc1ccncc1 34a_200011243140_200025704644 [1,1,0,0,0,0|2,0,0]=4 8687 B11R1.28 [13CH3]OCCOc1ccccc1 34a_100000210260_200025704644 [1,1,0,0,0,0|0,0,0]=2 8688 B11R1.28 [13CH3]OCCOc1ccccc1 7a_100000210260_200025704644 [1,1,0,0,0,0|0,0,0]=2 8689 B11R1.28 [13CH3]OCCSc1ccccc1 7a_100000230494_200025704644 [1,1,0,0,0,0|0,1,0]=3 8690 B11R1.28 [13CH3]OCCSc1ccccn1 7a_100000156319_200025704644 [1,1,0,0,0,0|1,1,0]=4 8691 B11R1.28 [13CH3]SCCCc1ccccc1 62a_100000211621_200025704644 [1,1,0,0,0,0|1,1,0]=4 8692 B11R1.28 [13CH3]SCCCc1ccccc1 62a_200025704644_100000211621 [1,1,0,0,0,0|1,1,0]=4 8693 B11R1.28 [13CH3]SCCOc1ccccc1 62a_100000184471_200025704644 [1,1,0,0,0,0|0,1,0]=3 8694 B11R1.28 [13CH3]SCCOc1ccccc1 62a_200025704644_100000184471 [1,1,0,0,0,0|0,1,0]=3 8695 B11R1.28 [13CH3]SCCSc1ccccc1 62a_100000246102_200025704644 [1,1,0,0,0,0|0,2,0]=4 8696 B11R1.28 [13CH3]SCCSc1ccccc1 62a_200025704644_100000246102 [1,1,0,0,0,0|0,2,0]=4 8697 B11R1.28 [13CH3]SCOCc1ccccc1 62a_100000763385_200025704644 [1,1,0,0,0,0|2,0,0]=4 8698 B11R1.28 [13CH3]SCOCc1ccccc1 62a_200025704644_100000763385 [1,1,0,0,0,0|2,0,0]=4 8699 B11R1.40 C#CC(C)Oc1ccccc1 34a_100000210340_200000035995 [1,1,0,0,0,0|1,0,1]=4 8700 B11R1.40 CC(C#N)Oc1ccccc1 7a_100000210340_100000703298 [1,1,0,0,0,0|1,0,1]=4 8701 B11R1.40 CC(CO)Nc1ccccc1 34a_100000106764_100012180447 [1,1,0,0,0,0|1,0,0]=3 8702 B11R1.40 CC(CO)Oc1ccccc1 34a_100000210340_100012180447 [1,1,0,0,0,0|0,0,0]=2 8703 B11R1.40 CC(CO)Oc1ccccc1 7a_100000210340_100012180447 [1,1,0,0,0,0|0,0,0]=2 8704 B11R1.40 CC(CO)Oc1cccnc1 34a_100000210849_100012180447 [1,1,0,0,0,0|1,0,0]=3 8705 B11R1.40 CC(CO)Oc1cccnc1 7a_100000210849_100012180447 [1,1,0,0,0,0|1,0,0]=3 8706 B11R1.40 CC(CO)Oc1ccncc1 34a_100000212176_100012180447 [1,1,0,0,0,0|1,0,0]=3 8707 B11R1.40 CC(CO)Oc1ccnnc1 34a_100015204005_100012180447 [1,1,0,0,0,0|2,0,0]=4 8708 B11R1.40 CC(CO)Oc1cncnc1 7a_100000754086_100012180447 [1,1,0,0,0,0|2,0,0]=4 8709 B11R1.40 CC(CO)Sc1ccccc1 62a_100012180447_100000041952 [1,1,0,0,0,0|0,1,0]=3 8710 B11R1.40 CC(CO)Sc1ccccn1 62a_100012180447_100011216584 [1,1,0,0,0,0|1,1,0]=4 8711 B11R1.40 CC(CO)Sc1cccnc1 62a_100012180447_100000210063 [1,1,0,0,0,0|1,1,0]=4 8712 B11R1.40 CC(CO)Sc1ccncc1 62a_100012180447_100000728582 [1,1,0,0,0,0|1,1,0]=4 8713 B11R1.40 CCC(C)Nc1ccccc1 34a_100000106764_100011215416 [1,1,0,0,0,0|2,0,0]=4 8714 B11R1.40 CCC(C)Oc1ccccc1 34a_100000210340_100011215416 [1,1,0,0,0,0|1,0,0]=3 8715 B11R1.40 CCC(C)Oc1ccccc1 7a_100000210340_100000758301 [1,1,0,0,0,0|1,0,0]=3 8716 B11R1.40 CCC(C)Oc1cccnc1 34a_100000210849_100011215416 [1,1,0,0,0,0|2,0,0]=4 8717 B11R1.40 CCC(C)Oc1cccnc1 7a_100000210849_100000758301 [1,1,0,0,0,0|2,0,0]=4 8718 B11R1.40 CCC(C)Oc1ccncc1 34a_100000212176_100011215416 [1,1,0,0,0,0|2,0,0]=4 8719 B11R1.40 CCC(C)Sc1ccccc1 62a_100000719477_100000758301 [1,1,0,0,0,0|1,1,0]=4 8720 B11R1.40 CCC(C)Sc1ccccc1 62a_100000758301_100000041952 [1,1,0,0,0,0|1,1,0]=4 8721 B11R1.40 C[C@H](CO)Sc1ccccc1 62a_100000719477_100016084084 [1,1,0,0,0,0|0,1,0]=3 8722 B11R1.40 C[C@H](CO)Sc1ccccc1 62a_100016084084_100000041952 [1,1,0,0,0,0|0,1,0]=3 8723 B11R1.40 C[C@H](CO)Sc1ccccn1 62a_100011216584_100016084084 [1,1,0,0,0,0|1,1,0]=4 8724 B11R1.40 C[C@H](CO)Sc1ccccn1 62a_100016084084_100011216584 [1,1,0,0,0,0|1,1,0]=4 8725 B11R1.40 C[C@H](CO)Sc1cccnc1 62a_100000210063_100016084084 [1,1,0,0,0,0|1,1,0]=4 8726 B11R1.40 C[C@H](CO)Sc1cccnc1 62a_100016084084_100000210063 [1,1,0,0,0,0|1,1,0]=4 8727 B11R1.40 C[C@H](CO)Sc1ccncc1 62a_100000728582_100016084084 [1,1,0,0,0,0|1,1,0]=4 8728 B11R1.40 C[C@H](CO)Sc1ccncc1 62a_100016084084_100000728582 [1,1,0,0,0,0|1,1,0]=4 8729 B11R1.40 O=C(CO)Cc1ccccc1 1458a_100000210174_100015291786 [1,1,0,0,0,0|1,0,1]=4 8730 B11R1.40 O=C(CO)Nc1ccccc1 22a_100000106764_100000210174 [1,1,0,0,0,0|1,0,1]=4 8731 B11R1.40 O=C(CO)Nc1ccccc1 527a_100000106764_100000210174 [1,1,0,0,0,0|1,0,1]=4 8732 B11R1.91 C=C(C)COc1ccccc1 34a_100000210340_100000748629 [1,1,0,0,0,0|1,0,1]=4 8733 B11R1.91 C=C(C)COc1ccccc1 7a_100000210340_100000748629 [1,1,0,0,0,0|1,0,1]=4 8734 B11R1.91 C=C(F)COc1ccccc1 34a_100000210340_100009893438 [1,1,0,0,0,0|1,0,1]=4 8735 B11R1.91 C=C(F)COc1ccccc1 7a_100000210340_100000042424 [1,1,0,0,0,0|1,0,1]=4 8736 B11R1.91 CC(=O)COc1ccccc1 1458a_100000186222_200000210301 [1,1,0,0,0,0|0,0,2]=4 8737 B11R1.91 CC(C)CNc1ccccc1 34a_100000106764_100000210624 [1,1,0,0,0,0|2,0,0]=4 8738 B11R1.91 CC(C)COc1ccccc1 34a_100000210340_100000210624 [1,1,0,0,0,0|1,0,0]=3 8739 B11R1.91 CC(C)COc1ccccc1 7a_100000210340_100000210760 [1,1,0,0,0,0|1,0,0]=3 8740 B11R1.91 CC(C)COc1cccnc1 34a_100000210849_100000210624 [1,1,0,0,0,0|2,0,0]=4 8741 B11R1.91 CC(C)COc1cccnc1 7a_100000210849_100000210760 [1,1,0,0,0,0|2,0,0]=4 8742 B11R1.91 CC(C)COc1ccncc1 34a_100000212176_100000210624 [1,1,0,0,0,0|2,0,0]=4 8743 B11R1.91 CC(C)CSc1ccccc1 62a_100000210624_100000041952 [1,1,0,0,0,0|1,1,0]=4 8744 B11R1.91 CC(C)CSc1ccccc1 62a_100000719477_100000210760 [1,1,0,0,0,0|1,1,0]=4 8745 B11R1.91 CC(O)C=Cc1ccccc1 271570a_200011019289_100000210277 [1,1,0,0,0,0|1,0,1]=4 8746 B11R1.91 CC(O)CNc1ccccc1 34a_100000106764_100011218427 [1,1,0,0,0,0|1,0,0]=3 8747 B11R1.91 CC(O)COc1ccccc1 34a_100000210340_100011218427 [1,1,0,0,0,0|0,0,0]=2 8748 B11R1.91 CC(O)COc1ccccc1 7a_100000210340_100011218427 [1,1,0,0,0,0|0,0,0]=2 8749 B11R1.91 CC(O)COc1cccnc1 34a_100000210849_100011218427 [1,1,0,0,0,0|1,0,0]=3 8750 B11R1.91 CC(O)COc1cccnc1 7a_100000210849_100011218427 [1,1,0,0,0,0|1,0,0]=3 8751 B11R1.91 CC(O)COc1ccncc1 34a_100000212176_100011218427 [1,1,0,0,0,0|1,0,0]=3 8752 B11R1.91 CC(O)COc1ccnnc1 34a_100015204005_100011218427 [1,1,0,0,0,0|2,0,0]=4 8753 B11R1.91 CC(O)COc1cncnc1 7a_100000754086_100011218427 [1,1,0,0,0,0|2,0,0]=4 8754 B11R1.91 CC(O)CSc1ccccc1 62a_100000719477_100011218427 [1,1,0,0,0,0|0,1,0]=3 8755 B11R1.91 CC(O)CSc1ccccc1 62a_100011218427_100000041952 [1,1,0,0,0,0|0,1,0]=3 8756 B11R1.91 CC(O)CSc1ccccn1 62a_100011216584_100011218427 [1,1,0,0,0,0|1,1,0]=4 8757 B11R1.91 CC(O)CSc1ccccn1 62a_100011218427_100011216584 [1,1,0,0,0,0|1,1,0]=4 8758 B11R1.91 CC(O)CSc1cccnc1 62a_100000210063_100011218427 [1,1,0,0,0,0|1,1,0]=4 8759 B11R1.91 CC(O)CSc1cccnc1 62a_100011218427_100000210063 [1,1,0,0,0,0|1,1,0]=4 8760 B11R1.91 CC(O)CSc1ccncc1 62a_100000728582_100011218427 [1,1,0,0,0,0|1,1,0]=4 8761 B11R1.91 CC(O)CSc1ccncc1 62a_100011218427_100000728582 [1,1,0,0,0,0|1,1,0]=4 8762 B11R1.91 C[C@@H](O)CNc1ccccc1 34a_100000106764_100009817552 [1,1,0,0,0,0|1,0,0]=3 8763 B11R1.91 C[C@@H](O)COc1ccccc1 34a_100000210340_100009817552 [1,1,0,0,0,0|0,0,0]=2 8764 B11R1.91 C[C@@H](O)COc1ccccc1 7a_100000210340_100009817552 [1,1,0,0,0,0|0,0,0]=2 8765 B11R1.91 C[C@@H](O)COc1cccnc1 34a_100000210849_100009817552 [1,1,0,0,0,0|1,0,0]=3 8766 B11R1.91 C[C@@H](O)COc1cccnc1 7a_100000210849_100009817552 [1,1,0,0,0,0|1,0,0]=3 8767 B11R1.91 C[C@@H](O)COc1ccncc1 34a_100000212176_100009817552 [1,1,0,0,0,0|1,0,0]=3 8768 B11R1.91 C[C@@H](O)COc1ccnnc1 34a_100015204005_100009817552 [1,1,0,0,0,0|2,0,0]=4 8769 B11R1.91 C[C@@H](O)COc1cncnc1 7a_100000754086_100009817552 [1,1,0,0,0,0|2,0,0]=4 8770 B11R1.91 C[C@@H](O)CSc1ccccc1 62a_100000719477_100009817552 [1,1,0,0,0,0|0,1,0]=3 8771 B11R1.91 C[C@@H](O)CSc1ccccc1 62a_100009817552_100000041952 [1,1,0,0,0,0|0,1,0]=3 8772 B11R1.91 C[C@@H](O)CSc1ccccn1 62a_100009817552_100011216584 [1,1,0,0,0,0|1,1,0]=4 8773 B11R1.91 C[C@@H](O)CSc1ccccn1 62a_100011216584_100009817552 [1,1,0,0,0,0|1,1,0]=4 8774 B11R1.91 C[C@@H](O)CSc1cccnc1 62a_100000210063_100009817552 [1,1,0,0,0,0|1,1,0]=4 8775 B11R1.91 C[C@@H](O)CSc1cccnc1 62a_100009817552_100000210063 [1,1,0,0,0,0|1,1,0]=4 8776 B11R1.91 C[C@@H](O)CSc1ccncc1 62a_100000728582_100009817552 [1,1,0,0,0,0|1,1,0]=4 8777 B11R1.91 C[C@@H](O)CSc1ccncc1 62a_100009817552_100000728582 [1,1,0,0,0,0|1,1,0]=4 8778 B11R1.91 FC(F)CNc1ccccc1 34a_100000106764_100011934356 [1,1,0,0,0,0|2,0,0]=4 8779 B11R1.91 FC(F)COc1ccccc1 34a_100000210340_100011934356 [1,1,0,0,0,0|1,0,0]=3 8780 B11R1.91 FC(F)COc1ccccc1 7a_100000210340_100011934356 [1,1,0,0,0,0|1,0,0]=3 8781 B11R1.91 FC(F)COc1cccnc1 34a_100000210849_100011934356 [1,1,0,0,0,0|2,0,0]=4 8782 B11R1.91 FC(F)COc1cccnc1 7a_100000210849_100011934356 [1,1,0,0,0,0|2,0,0]=4 8783 B11R1.91 FC(F)COc1ccncc1 34a_100000212176_100011934356 [1,1,0,0,0,0|2,0,0]=4 8784 B11R1.91 FC(F)CSc1ccccc1 62a_100000719477_100011934356 [1,1,0,0,0,0|1,1,0]=4 8785 B11R1.91 FC(F)CSc1ccccc1 62a_100011934356_100000041952 [1,1,0,0,0,0|1,1,0]=4 8786 B11R1.91 NC(=O)COc1ccccc1 34a_100000210340_100000187820 [1,1,0,0,0,0|0,0,2]=4 8787 B11R1.91 NC(=O)COc1ccccc1 7a_100000210340_100000187820 [1,1,0,0,0,0|0,0,2]=4 8788 B11R1.91 O=C([O-])COc1ccccc1 34a_100000210340_100020667443 [1,1,0,0,0,0|0,0,2]=4 8789 B11R1.91 O=[N+]([O-])COc1ccccc1 34a_100000210340_100000761209 [1,1,0,0,0,0|1,0,1]=4 8790 B11R1.91 [13CH3]C(=O)COc1ccccc1 1458a_100000186222_200025704644 [1,1,0,0,0,0|0,0,2]=4 8791 B11R1.27 CCCOCc1ccc(s1)Cl 34a_100000210258_100000185097 [0,1,0,0,1,0|2,0,0]=4 8792 B11R1.27 CCCOCc1csc(c1)Cl 34a_100009863405_100000210303 [0,1,0,0,1,0|2,0,0]=4 8793 B11R1.27 CCCOCc1csc(c1)Cl 7a_100009863405_100000210303 [0,1,0,0,1,0|2,0,0]=4 8794 B11R1.27 Cc1ccc(o1)COCCO 34a_100011232665_100000211926 [0,1,0,0,1,0|2,0,0]=4 8795 B11R1.27 Cc1ccc(o1)COCCO 7a_100011232665_100000211926 [0,1,0,0,1,0|2,0,0]=4 8796 B11R1.27 Cc1ccc(s1)COCCO 34a_100000238367_100000211926 [0,1,0,0,1,0|2,0,0]=4 8797 B11R1.27 Cc1csc(c1)COCCO 34a_200000068372_100000211926 [0,1,0,0,1,0|2,0,0]=4 8798 B11R1.27 Cc1csc(c1)COCCO 7a_200000068372_100000211926 [0,1,0,0,1,0|2,0,0]=4 8799 B11R1.27 Clc1ccc(s1)COCCBr 34a_100000211926_100000185097 [0,1,0,0,1,0|2,0,0]=4 8800 B11R1.27 FCCOCc1csc(c1)Cl 34a_100009863405_100011217306 [0,1,0,0,1,0|2,0,0]=4 8801 B11R1.27 FCCOCc1csc(c1)Cl 7a_100009863405_100011217306 [0,1,0,0,1,0|2,0,0]=4 8802 B11R1.27 NCCOCc1ccc(s1)Cl 34a_100000210304_100000185097 [0,1,0,0,1,0|2,0,0]=4 8803 B11R1.27 OCCNCc1cc(cs1)Cl 207a_100000210304_100000102487 [0,1,0,0,1,0|2,0,0]=4 8804 B11R1.27 OCCNCc1cc(cs1)Cl 270004a_100000210304_100000102487 [0,1,0,0,1,0|2,0,0]=4 8805 B11R1.27 OCCNCc1ccc(o1)Cl 207a_100000210304_100000188459 [0,1,0,0,1,0|2,0,0]=4 8806 B11R1.27 OCCNCc1ccc(o1)Cl 270004a_100000210304_100000188459 [0,1,0,0,1,0|2,0,0]=4 8807 B11R1.27 OCCNCc1ccc(s1)Cl 207a_100000210304_100000242774 [0,1,0,0,1,0|2,0,0]=4 8808 B11R1.27 OCCNCc1ccc(s1)Cl 2230a_100000737310_100000211926 [0,1,0,0,1,0|2,0,0]=4 8809 B11R1.27 OCCNCc1ccc(s1)Cl 2230a_100016997473_100000185097 [0,1,0,0,1,0|2,0,0]=4 8810 B11R1.27 OCCNCc1ccc(s1)Cl 270004a_100000210304_100000242774 [0,1,0,0,1,0|2,0,0]=4 8811 B11R1.27 OCCNCc1ccc(s1)Cl 34a_100016990907_100000185097 [0,1,0,0,1,0|2,0,0]=4 8812 B11R1.27 OCCNCc1csc(c1)Cl 207a_100000210304_100009844934 [0,1,0,0,1,0|2,0,0]=4 8813 B11R1.27 OCCNCc1csc(c1)Cl 270004a_100000210304_100009844934 [0,1,0,0,1,0|2,0,0]=4 8814 B11R1.27 OCCOCc1cc(cs1)Br 34a_100000238369_100000211926 [0,1,0,0,1,0|1,1,0]=4 8815 B11R1.27 OCCOCc1cc(cs1)Br 7a_100000238369_100000211926 [0,1,0,0,1,0|1,1,0]=4 8816 B11R1.27 OCCOCc1ccc(o1)Br 34a_100000246276_100000211926 [0,1,0,0,1,0|1,1,0]=4 8817 B11R1.27 OCCOCc1ccc(o1)Br 7a_100000246276_100000211926 [0,1,0,0,1,0|1,1,0]=4 8818 B11R1.27 OCCOCc1cnc(s1)Cl 7a_100000697714_100000211926 [0,1,0,0,1,0|2,0,0]=4 8819 B11R1.27 OCCOCc1csc(c1)Cl 34a_100009863405_100000211926 [0,1,0,0,1,0|1,0,0]=3 8820 B11R1.27 OCCOCc1csc(c1)Cl 7a_100009863405_100000211926 [0,1,0,0,1,0|1,0,0]=3 8821 B11R1.27 OCCOCn1cc(cn1)Cl 34a_100000732729_100000211926 [0,1,0,0,1,0|2,0,0]=4 8822 B11R1.27 OCCSCc1ccc(s1)Cl 62a_100000185097_100000211926 [0,1,0,0,1,0|1,1,0]=4 8823 B11R1.27 OCCSCc1ccc(s1)Cl 62a_100000211926_100000185097 [0,1,0,0,1,0|1,1,0]=4 8824 B11R1.230 OCCSc1cc(sc1Cl)Cl 62a_100000211926_100010244177 [0,1,0,0,1,0|1,1,0]=4 8825 B13R1.9 BrCCCOCc1ccc(cc1)Br 34a_100011217188_100000189115 [0,2,0,0,0,0|1,1,0]=4 8826 B13R1.9 BrCCCOCc1ccc(cc1)I 34a_100011217188_100000189116 [0,2,0,0,0,0|1,1,0]=4 8827 B13R1.9 BrCCOCCc1ccc(cc1)Br 34a_100000211926_100011740612 [0,2,0,0,0,0|1,1,0]=4 8828 B13R1.9 C#CCCCNc1ccc(cc1)Cl 2230a_100000210052_100000731252 [0,2,0,0,0,0|2,0,0]=4 8829 B13R1.9 C#CCCCNc1ccc(cc1)Cl 34a_100000210052_100000695029 [0,2,0,0,0,0|2,0,0]=4 8830 B13R1.9 C#CCCCOc1ccc(cc1)Br 34a_100000185759_100000695029 [0,2,0,0,0,0|1,1,0]=4 8831 B13R1.9 C#CCCCOc1ccc(cc1)Br 7a_100000185759_100011215417 [0,2,0,0,0,0|1,1,0]=4 8832 B13R1.9 C#CCCCOc1ccc(cc1)C 34a_100000210336_100000695029 [0,2,0,0,0,0|2,0,0]=4 8833 B13R1.9 C#CCCCOc1ccc(cc1)C 7a_100000210336_100011215417 [0,2,0,0,0,0|2,0,0]=4 8834 B13R1.9 C#CCCCOc1ccc(cc1)Cl 34a_100000210216_100000695029 [0,2,0,0,0,0|1,0,0]=3 8835 B13R1.9 C#CCCCOc1ccc(cc1)Cl 7a_100000210216_100011215417 [0,2,0,0,0,0|1,0,0]=3 8836 B13R1.9 C#CCCCOc1ccc(cc1)F 34a_100000210339_100000695029 [0,2,0,0,0,0|1,1,0]=4 8837 B13R1.9 C#CCCCOc1ccc(cc1)I 34a_100000212066_100000695029 [0,2,0,0,0,0|1,1,0]=4 8838 B13R1.9 C#CCCCOc1ccc(cc1)I 7a_100000212066_100011215417 [0,2,0,0,0,0|1,1,0]=4 8839 B13R1.9 C#CCCCOc1ccc(cc1)N 34a_100000185829_100000695029 [0,2,0,0,0,0|2,0,0]=4 8840 B13R1.9 C#CCCCOc1ccc(cn1)Cl 34a_100011215309_100000695029 [0,2,0,0,0,0|2,0,0]=4 8841 B13R1.9 C#CCCCOc1ccc(nc1)Cl 34a_100000744096_100000695029 [0,2,0,0,0,0|2,0,0]=4 8842 B13R1.9 C#CCCCOc1ccc(nc1)Cl 7a_100000744096_100011215417 [0,2,0,0,0,0|2,0,0]=4 8843 B13R1.9 C#CCCCSc1ccc(cc1)Cl 62a_100000755918_100011215417 [0,2,0,0,0,0|1,1,0]=4 8844 B13R1.9 C#CCCCSc1ccc(cc1)Cl 62a_100011215417_100000755918 [0,2,0,0,0,0|1,1,0]=4 8845 B13R1.9 C#CCCNCc1ccc(cc1)Cl 2230a_100000174871_100000688953 [0,2,0,0,0,0|2,0,0]=4 8846 B13R1.9 C#CCCNCc1ccc(cc1)Cl 34a_100000174871_100000688953 [0,2,0,0,0,0|2,0,0]=4 8847 B13R1.9 C#CCCNCc1ccc(cc1)Cl 34a_100000755551_100000694040 [0,2,0,0,0,0|2,0,0]=4 8848 B13R1.9 C#CCCOCc1ccc(cc1)Br 34a_100000695286_100000688953 [0,2,0,0,0,0|1,1,0]=4 8849 B13R1.9 C#CCCOCc1ccc(cc1)Br 34a_100011215631_100000189115 [0,2,0,0,0,0|1,1,0]=4 8850 B13R1.9 C#CCCOCc1ccc(cc1)C 34a_100011215236_100000688953 [0,2,0,0,0,0|2,0,0]=4 8851 B13R1.9 C#CCCOCc1ccc(cc1)C 34a_100011215631_100000210814 [0,2,0,0,0,0|2,0,0]=4 8852 B13R1.9 C#CCCOCc1ccc(cc1)C 7a_100011215236_100000688953 [0,2,0,0,0,0|2,0,0]=4 8853 B13R1.9 C#CCCOCc1ccc(cc1)Cl 34a_100000211118_100000688953 [0,2,0,0,0,0|1,0,0]=3 8854 B13R1.9 C#CCCOCc1ccc(cc1)Cl 34a_100011215631_100000694040 [0,2,0,0,0,0|1,0,0]=3 8855 B13R1.9 C#CCCOCc1ccc(cc1)Cl 7a_100000211118_100000688953 [0,2,0,0,0,0|1,0,0]=3 8856 B13R1.9 C#CCCOCc1ccc(cc1)F 34a_100000210977_100000688953 [0,2,0,0,0,0|1,1,0]=4 8857 B13R1.9 C#CCCOCc1ccc(cc1)F 34a_100011215631_100000198546 [0,2,0,0,0,0|1,1,0]=4 8858 B13R1.9 C#CCCOCc1ccc(cc1)F 7a_100000210977_100000688953 [0,2,0,0,0,0|1,1,0]=4 8859 B13R1.9 C#CCCOCc1ccc(cc1)I 34a_100000690907_100000688953 [0,2,0,0,0,0|1,1,0]=4 8860 B13R1.9 C#CCCOCc1ccc(cc1)I 34a_100011215631_100000189116 [0,2,0,0,0,0|1,1,0]=4 8861 B13R1.9 C#CCCOCc1ccc(cc1)I 7a_100000690907_100000688953 [0,2,0,0,0,0|1,1,0]=4 8862 B13R1.9 C#CCCOCc1ccc(cc1)N 34a_100011215238_100000688953 [0,2,0,0,0,0|2,0,0]=4 8863 B13R1.9 C#CCCOCc1ccc(cn1)Cl 34a_100000703999_100000688953 [0,2,0,0,0,0|2,0,0]=4 8864 B13R1.9 C#CCCOCc1ccc(cn1)Cl 34a_100011215631_100012066911 [0,2,0,0,0,0|2,0,0]=4 8865 B13R1.9 C#CCCOCc1ccc(nc1)Cl 34a_100000755211_100000688953 [0,2,0,0,0,0|2,0,0]=4 8866 B13R1.9 C#CCCOCc1ccc(nc1)Cl 34a_100011215631_100000735431 [0,2,0,0,0,0|2,0,0]=4 8867 B13R1.9 C#CCCOCc1ccc(nc1)Cl 7a_100000755211_100000688953 [0,2,0,0,0,0|2,0,0]=4 8868 B13R1.9 C#CCCSCc1ccc(cc1)Cl 62a_100000187161_100000688953 [0,2,0,0,0,0|1,1,0]=4 8869 B13R1.9 C#CCCSCc1ccc(cc1)Cl 62a_100000688953_100000187161 [0,2,0,0,0,0|1,1,0]=4 8870 B13R1.9 C#CCNCCc1ccc(cc1)Cl 2230a_100000185265_100000038162 [0,2,0,0,0,0|2,0,0]=4 8871 B13R1.9 C#CCNCCc1ccc(cc1)Cl 34a_100000185265_100000184674 [0,2,0,0,0,0|2,0,0]=4 8872 B13R1.9 C#CCNCCc1ccc(cc1)Cl 34a_100000212058_100011713675 [0,2,0,0,0,0|2,0,0]=4 8873 B13R1.9 C#CCOCCc1ccc(cc1)Cl 34a_100000210247_100011713675 [0,2,0,0,0,0|1,0,1]=4 8874 B13R1.9 C#CCOCCc1ccc(cc1)Cl 34a_100011219627_100000184674 [0,2,0,0,0,0|1,0,1]=4 8875 B13R1.9 C#CCOCCc1ccc(cc1)Cl 7a_100011219627_100000038162 [0,2,0,0,0,0|1,0,1]=4 8876 B13R1.9 C#CCSCCc1ccc(cc1)Cl 62a_100000038162_100011713675 [0,2,0,0,0,0|2,0,0]=4 8877 B13R1.9 C/C=C/COCc1ccc(cc1)Cl 34a_100000211118_100102629194 [0,2,0,0,0,0|1,0,1]=4 8878 B13R1.9 C/C=C/COCc1ccc(cc1)Cl 34a_100016270725_100000694040 [0,2,0,0,0,0|1,0,1]=4 8879 B13R1.9 C/C=C/COCc1ccc(cc1)Cl 7a_100000211118_100102629194 [0,2,0,0,0,0|1,0,1]=4 8880 B13R1.9 C=CCCCNc1ccc(cc1)Cl 2230a_100000210052_100011713584 [0,2,0,0,0,0|2,0,0]=4 8881 B13R1.9 C=CCCCNc1ccc(cc1)Cl 34a_100000210052_100000757094 [0,2,0,0,0,0|2,0,0]=4 8882 B13R1.9 C=CCCCOc1ccc(cc1)Br 34a_100000185759_100000757094 [0,2,0,0,0,0|1,1,0]=4 8883 B13R1.9 C=CCCCOc1ccc(cc1)Br 7a_100000185759_100000757094 [0,2,0,0,0,0|1,1,0]=4 8884 B13R1.9 C=CCCCOc1ccc(cc1)C 34a_100000210336_100000757094 [0,2,0,0,0,0|2,0,0]=4 8885 B13R1.9 C=CCCCOc1ccc(cc1)C 7a_100000210336_100000757094 [0,2,0,0,0,0|2,0,0]=4 8886 B13R1.9 C=CCCCOc1ccc(cc1)Cl 34a_100000210216_100000757094 [0,2,0,0,0,0|1,0,0]=3 8887 B13R1.9 C=CCCCOc1ccc(cc1)Cl 7a_100000210216_100000757094 [0,2,0,0,0,0|1,0,0]=3 8888 B13R1.9 C=CCCCOc1ccc(cc1)F 34a_100000210339_100000757094 [0,2,0,0,0,0|1,1,0]=4 8889 B13R1.9 C=CCCCOc1ccc(cc1)I 34a_100000212066_100000757094 [0,2,0,0,0,0|1,1,0]=4 8890 B13R1.9 C=CCCCOc1ccc(cc1)I 7a_100000212066_100000757094 [0,2,0,0,0,0|1,1,0]=4 8891 B13R1.9 C=CCCCOc1ccc(cc1)N 34a_100000185829_100000757094 [0,2,0,0,0,0|2,0,0]=4 8892 B13R1.9 C=CCCCOc1ccc(cn1)Cl 34a_100011215309_100000757094 [0,2,0,0,0,0|2,0,0]=4 8893 B13R1.9 C=CCCCOc1ccc(nc1)Cl 34a_100000744096_100000757094 [0,2,0,0,0,0|2,0,0]=4 8894 B13R1.9 C=CCCCOc1ccc(nc1)Cl 7a_100000744096_100000757094 [0,2,0,0,0,0|2,0,0]=4 8895 B13R1.9 C=CCCCSc1ccc(cc1)Cl 62a_100000755918_100000757094 [0,2,0,0,0,0|1,1,0]=4 8896 B13R1.9 C=CCCCSc1ccc(cc1)Cl 62a_100011713584_100000755918 [0,2,0,0,0,0|1,1,0]=4 8897 B13R1.9 C=CCCNCc1ccc(cc1)Cl 207a_100015191253_100000189385 [0,2,0,0,0,0|2,0,0]=4 8898 B13R1.9 C=CCCNCc1ccc(cc1)Cl 2230a_100000174871_100000754431 [0,2,0,0,0,0|2,0,0]=4 8899 B13R1.9 C=CCCNCc1ccc(cc1)Cl 2230a_100015191253_100000694040 [0,2,0,0,0,0|2,0,0]=4 8900 B13R1.9 C=CCCNCc1ccc(cc1)Cl 270004a_100015191253_100000189385 [0,2,0,0,0,0|2,0,0]=4 8901 B13R1.9 C=CCCNCc1ccc(cc1)Cl 34a_100000174871_100000754431 [0,2,0,0,0,0|2,0,0]=4 8902 B13R1.9 C=CCCOCc1ccc(cc1)Br 34a_100000695286_100000754431 [0,2,0,0,0,0|1,1,0]=4 8903 B13R1.9 C=CCCOCc1ccc(cc1)Br 34a_100011205117_100000189115 [0,2,0,0,0,0|1,1,0]=4 8904 B13R1.9 C=CCCOCc1ccc(cc1)C 34a_100011205117_100000210814 [0,2,0,0,0,0|2,0,0]=4 8905 B13R1.9 C=CCCOCc1ccc(cc1)C 34a_100011215236_100000754431 [0,2,0,0,0,0|2,0,0]=4 8906 B13R1.9 C=CCCOCc1ccc(cc1)C 7a_100011215236_100000754431 [0,2,0,0,0,0|2,0,0]=4 8907 B13R1.9 C=CCCOCc1ccc(cc1)Cl 34a_100000211118_100000754431 [0,2,0,0,0,0|1,0,0]=3 8908 B13R1.9 C=CCCOCc1ccc(cc1)Cl 34a_100011205117_100000694040 [0,2,0,0,0,0|1,0,0]=3 8909 B13R1.9 C=CCCOCc1ccc(cc1)Cl 7a_100000211118_100000754431 [0,2,0,0,0,0|1,0,0]=3 8910 B13R1.9 C=CCCOCc1ccc(cc1)F 34a_100000210977_100000754431 [0,2,0,0,0,0|1,1,0]=4 8911 B13R1.9 C=CCCOCc1ccc(cc1)F 34a_100011205117_100000198546 [0,2,0,0,0,0|1,1,0]=4 8912 B13R1.9 C=CCCOCc1ccc(cc1)F 7a_100000210977_100000754431 [0,2,0,0,0,0|1,1,0]=4 8913 B13R1.9 C=CCCOCc1ccc(cc1)I 34a_100000690907_100000754431 [0,2,0,0,0,0|1,1,0]=4 8914 B13R1.9 C=CCCOCc1ccc(cc1)I 34a_100011205117_100000189116 [0,2,0,0,0,0|1,1,0]=4 8915 B13R1.9 C=CCCOCc1ccc(cc1)I 7a_100000690907_100000754431 [0,2,0,0,0,0|1,1,0]=4 8916 B13R1.9 C=CCCOCc1ccc(cc1)N 34a_100011215238_100000754431 [0,2,0,0,0,0|2,0,0]=4 8917 B13R1.9 C=CCCOCc1ccc(cn1)Cl 34a_100000703999_100000754431 [0,2,0,0,0,0|2,0,0]=4 8918 B13R1.9 C=CCCOCc1ccc(cn1)Cl 34a_100011205117_100012066911 [0,2,0,0,0,0|2,0,0]=4 8919 B13R1.9 C=CCCOCc1ccc(nc1)Cl 34a_100000755211_100000754431 [0,2,0,0,0,0|2,0,0]=4 8920 B13R1.9 C=CCCOCc1ccc(nc1)Cl 34a_100011205117_100000735431 [0,2,0,0,0,0|2,0,0]=4 8921 B13R1.9 C=CCCOCc1ccc(nc1)Cl 7a_100000755211_100000754431 [0,2,0,0,0,0|2,0,0]=4 8922 B13R1.9 C=CCCSCc1ccc(cc1)Cl 62a_100000187161_100000754431 [0,2,0,0,0,0|1,1,0]=4 8923 B13R1.9 C=CCCSCc1ccc(cc1)Cl 62a_100000754431_100000187161 [0,2,0,0,0,0|1,1,0]=4 8924 B13R1.9 C=CCNCCc1ccc(cc1)Cl 2230a_100000185265_100000210623 [0,2,0,0,0,0|2,0,0]=4 8925 B13R1.9 C=CCNCCc1ccc(cc1)Cl 2230a_100020586998_100011713675 [0,2,0,0,0,0|2,0,0]=4 8926 B13R1.9 C=CCNCCc1ccc(cc1)Cl 34a_100000185265_100015514636 [0,2,0,0,0,0|2,0,0]=4 8927 B13R1.9 C=CCOCCc1ccc(cc1)Cl 34a_100011219627_100015514636 [0,2,0,0,0,0|1,0,1]=4 8928 B13R1.9 C=CCOCCc1ccc(cc1)Cl 34a_200000210373_100011713675 [0,2,0,0,0,0|1,0,1]=4 8929 B13R1.9 C=CCOCCc1ccc(cc1)Cl 7a_100011219627_100015514636 [0,2,0,0,0,0|1,0,1]=4 8930 B13R1.9 C=CCSCCc1ccc(cc1)Cl 62a_100000210623_100011713675 [0,2,0,0,0,0|2,0,0]=4 8931 B13R1.9 C=CCSCCc1ccc(cc1)Cl 62a_100011713675_100000210623 [0,2,0,0,0,0|2,0,0]=4 8932 B13R1.9 C=COCCNc1ccc(cc1)Br 2230a_100000210018_100000039644 [0,2,0,0,0,0|1,1,0]=4 8933 B13R1.9 C=COCCNc1ccc(cc1)Br 34a_100000210018_100000039644 [0,2,0,0,0,0|1,1,0]=4 8934 B13R1.9 C=COCCNc1ccc(cc1)C 34a_100000124888_100000039644 [0,2,0,0,0,0|2,0,0]=4 8935 B13R1.9 C=COCCNc1ccc(cc1)Cl 2230a_100000210052_100000039644 [0,2,0,0,0,0|1,0,0]=3 8936 B13R1.9 C=COCCNc1ccc(cc1)Cl 34a_100000210052_100000039644 [0,2,0,0,0,0|1,0,0]=3 8937 B13R1.9 C=COCCNc1ccc(cc1)F 34a_100000185862_100000039644 [0,2,0,0,0,0|1,1,0]=4 8938 B13R1.9 C=COCCNc1ccc(cc1)I 34a_100000185761_100000039644 [0,2,0,0,0,0|1,1,0]=4 8939 B13R1.9 C=COCCNc1ccc(cc1)O 34a_100000185829_100000039644 [0,2,0,0,0,0|2,0,0]=4 8940 B13R1.9 C=COCCOc1ccc(=O)[nH]c1 34a_100000075641_100000039644 [0,2,0,0,0,0|2,0,0]=4 8941 B13R1.9 C=COCCOc1ccc(cc1)Br 34a_100000185759_100000039644 [0,2,0,0,0,0|0,1,0]=3 8942 B13R1.9 C=COCCOc1ccc(cc1)Br 7a_100000185759_100000039644 [0,2,0,0,0,0|0,1,0]=3 8943 B13R1.9 C=COCCOc1ccc(cc1)C 34a_100000210336_100000039644 [0,2,0,0,0,0|1,0,0]=3 8944 B13R1.9 C=COCCOc1ccc(cc1)C 7a_100000210336_100000039644 [0,2,0,0,0,0|1,0,0]=3 8945 B13R1.9 C=COCCOc1ccc(cc1)Cl 34a_100000210216_100000039644 [0,2,0,0,0,0|0,0,0]=2 8946 B13R1.9 C=COCCOc1ccc(cc1)Cl 7a_100000210216_100000039644 [0,2,0,0,0,0|0,0,0]=2 8947 B13R1.9 C=COCCOc1ccc(cc1)F 34a_100000210339_100000039644 [0,2,0,0,0,0|0,1,0]=3 8948 B13R1.9 C=COCCOc1ccc(cc1)I 34a_100000212066_100000039644 [0,2,0,0,0,0|0,1,0]=3 8949 B13R1.9 C=COCCOc1ccc(cc1)I 7a_100000212066_100000039644 [0,2,0,0,0,0|0,1,0]=3 8950 B13R1.9 C=COCCOc1ccc(cc1)N 34a_100000185829_100000039644 [0,2,0,0,0,0|1,0,0]=3 8951 B13R1.9 C=COCCOc1ccc(cn1)C 34a_100000759353_100000039644 [0,2,0,0,0,0|2,0,0]=4 8952 B13R1.9 C=COCCOc1ccc(cn1)Cl 34a_100011215309_100000039644 [0,2,0,0,0,0|1,0,0]=3 8953 B13R1.9 C=COCCOc1ccc(cn1)F 34a_100000742473_100000039644 [0,2,0,0,0,0|1,1,0]=4 8954 B13R1.9 C=COCCOc1ccc(cn1)N 34a_100000729260_100000039644 [0,2,0,0,0,0|2,0,0]=4 8955 B13R1.9 C=COCCOc1ccc(nc1)Br 34a_100000685995_100000039644 [0,2,0,0,0,0|1,1,0]=4 8956 B13R1.9 C=COCCOc1ccc(nc1)Br 7a_100000685995_100000039644 [0,2,0,0,0,0|1,1,0]=4 8957 B13R1.9 C=COCCOc1ccc(nc1)C 34a_100000745506_100000039644 [0,2,0,0,0,0|2,0,0]=4 8958 B13R1.9 C=COCCOc1ccc(nc1)C 7a_100000745506_100000039644 [0,2,0,0,0,0|2,0,0]=4 8959 B13R1.9 C=COCCOc1ccc(nc1)Cl 34a_100000744096_100000039644 [0,2,0,0,0,0|1,0,0]=3 8960 B13R1.9 C=COCCOc1ccc(nc1)Cl 7a_100000744096_100000039644 [0,2,0,0,0,0|1,0,0]=3 8961 B13R1.9 C=COCCOc1ccc(nc1)F 34a_100000688820_100000039644 [0,2,0,0,0,0|1,1,0]=4 8962 B13R1.9 C=COCCOc1ccc(nc1)F 7a_100000688820_100000039644 [0,2,0,0,0,0|1,1,0]=4 8963 B13R1.9 C=COCCOc1ccc(nc1)I 34a_100000687607_100000039644 [0,2,0,0,0,0|1,1,0]=4 8964 B13R1.9 C=COCCOc1ccc(nc1)I 7a_100000687607_100000039644 [0,2,0,0,0,0|1,1,0]=4 8965 B13R1.9 C=COCCOc1ccc(nc1)N 34a_100015188713_100000039644 [0,2,0,0,0,0|2,0,0]=4 8966 B13R1.9 C=COCCOc1ccc(nc1)N 7a_100015188713_100000039644 [0,2,0,0,0,0|2,0,0]=4 8967 B13R1.9 C=COCCOc1cnc(cn1)Cl 34a_100015839800_100000039644 [0,2,0,0,0,0|2,0,0]=4 8968 B13R1.9 C=COCCOc1cnc(nc1)Cl 34a_100000092845_100000039644 [0,2,0,0,0,0|2,0,0]=4 8969 B13R1.9 C=COCCOc1cnc(nc1)Cl 7a_100000092845_100000039644 [0,2,0,0,0,0|2,0,0]=4 8970 B13R1.9 C=COCCSc1ccc(cc1)Br 62a_100000039644_100000752885 [0,2,0,0,0,0|0,2,0]=4 8971 B13R1.9 C=COCCSc1ccc(cc1)Br 62a_100000752885_100000039644 [0,2,0,0,0,0|0,2,0]=4 8972 B13R1.9 C=COCCSc1ccc(cc1)C 62a_100000039644_100000186775 [0,2,0,0,0,0|1,1,0]=4 8973 B13R1.9 C=COCCSc1ccc(cc1)C 62a_100000186775_100000039644 [0,2,0,0,0,0|1,1,0]=4 8974 B13R1.9 C=COCCSc1ccc(cc1)Cl 62a_100000039644_100000755918 [0,2,0,0,0,0|0,1,0]=3 8975 B13R1.9 C=COCCSc1ccc(cc1)Cl 62a_100000755918_100000039644 [0,2,0,0,0,0|0,1,0]=3 8976 B13R1.9 C=COCCSc1ccc(cc1)F 62a_100000039644_100000211213 [0,2,0,0,0,0|0,2,0]=4 8977 B13R1.9 C=COCCSc1ccc(cc1)F 62a_100000211213_100000039644 [0,2,0,0,0,0|0,2,0]=4 8978 B13R1.9 C=COCCSc1ccc(cc1)N 62a_100000039644_100000185761 [0,2,0,0,0,0|1,1,0]=4 8979 B13R1.9 C=COCCSc1ccc(cc1)N 62a_100000185761_100000039644 [0,2,0,0,0,0|1,1,0]=4 8980 B13R1.9 C=COCCSc1ccc(cc1)O 62a_100000039644_100000185759 [0,2,0,0,0,0|1,1,0]=4 8981 B13R1.9 C=COCCSc1ccc(cn1)Cl 62a_100000039644_100011356976 [0,2,0,0,0,0|1,1,0]=4 8982 B13R1.9 C=COCCSc1ccc(cn1)Cl 62a_100011356976_100000039644 [0,2,0,0,0,0|1,1,0]=4 8983 B13R1.9 C=COCCSc1ccc(nc1)Cl 62a_100000034144_100000039644 [0,2,0,0,0,0|1,1,0]=4 8984 B13R1.9 C=COCCSc1ccc(nc1)Cl 62a_100000039644_100000034144 [0,2,0,0,0,0|1,1,0]=4 8985 B13R1.9 CC#CCOCc1ccc(cc1)Cl 34a_100000211118_100000748600 [0,2,0,0,0,0|1,0,1]=4 8986 B13R1.9 CC#CCOCc1ccc(cc1)Cl 34a_100000761923_100000694040 [0,2,0,0,0,0|1,0,1]=4 8987 B13R1.9 CC#CCOCc1ccc(cc1)Cl 7a_100000211118_100000748600 [0,2,0,0,0,0|1,0,1]=4 8988 B13R1.9 CC/C=C\CNc1ccc(cc1)Cl 2230a_100000210052_100103147603 [0,2,0,0,0,0|2,0,0]=4 8989 B13R1.9 CC/C=C\CNc1ccc(cc1)Cl 34a_100000210052_100103147603 [0,2,0,0,0,0|2,0,0]=4 8990 B13R1.9 CC/C=C\COc1ccc(cc1)Br 34a_100000185759_100103147603 [0,2,0,0,0,0|1,1,0]=4 8991 B13R1.9 CC/C=C\COc1ccc(cc1)Br 7a_100000185759_100103147603 [0,2,0,0,0,0|1,1,0]=4 8992 B13R1.9 CC/C=C\COc1ccc(cc1)C 34a_100000210336_100103147603 [0,2,0,0,0,0|2,0,0]=4 8993 B13R1.9 CC/C=C\COc1ccc(cc1)C 7a_100000210336_100103147603 [0,2,0,0,0,0|2,0,0]=4 8994 B13R1.9 CC/C=C\COc1ccc(cc1)Cl 34a_100000210216_100103147603 [0,2,0,0,0,0|1,0,0]=3 8995 B13R1.9 CC/C=C\COc1ccc(cc1)Cl 7a_100000210216_100103147603 [0,2,0,0,0,0|1,0,0]=3 8996 B13R1.9 CC/C=C\COc1ccc(cc1)F 34a_100000210339_100103147603 [0,2,0,0,0,0|1,1,0]=4 8997 B13R1.9 CC/C=C\COc1ccc(cc1)I 34a_100000212066_100103147603 [0,2,0,0,0,0|1,1,0]=4 8998 B13R1.9 CC/C=C\COc1ccc(cc1)I 7a_100000212066_100103147603 [0,2,0,0,0,0|1,1,0]=4 8999 B13R1.9 CC/C=C\COc1ccc(cc1)N 34a_100000185829_100103147603 [0,2,0,0,0,0|2,0,0]=4 9000 B13R1.9 CC/C=C\COc1ccc(cn1)Cl 34a_100011215309_100103147603 [0,2,0,0,0,0|2,0,0]=4 9001 B13R1.9 CC/C=C\COc1ccc(nc1)Cl 34a_100000744096_100103147603 [0,2,0,0,0,0|2,0,0]=4 9002 B13R1.9 CC/C=C\COc1ccc(nc1)Cl 7a_100000744096_100103147603 [0,2,0,0,0,0|2,0,0]=4 9003 B13R1.9 CC/C=C\CSc1ccc(cc1)Cl 62a_100000755918_100103147603 [0,2,0,0,0,0|1,1,0]=4 9004 B13R1.9 CC/C=C\CSc1ccc(cc1)Cl 62a_100103147603_100000755918 [0,2,0,0,0,0|1,1,0]=4 9005 B13R1.9 CC=CCOCc1ccc(cc1)Cl 34a_100000211118_100000070051 [0,2,0,0,0,0|1,0,1]=4 9006 B13R1.9 CC=CCOCc1ccc(cc1)Cl 7a_100000211118_100000070051 [0,2,0,0,0,0|1,0,1]=4 9007 B13R1.9 CCC#CCNc1ccc(cc1)Cl 2230a_100000210052_100009813939 [0,2,0,0,0,0|2,0,0]=4 9008 B13R1.9 CCC#CCNc1ccc(cc1)Cl 34a_100000210052_100009813939 [0,2,0,0,0,0|2,0,0]=4 9009 B13R1.9 CCC#CCOc1ccc(cc1)Br 34a_100000185759_100009813939 [0,2,0,0,0,0|1,1,0]=4 9010 B13R1.9 CCC#CCOc1ccc(cc1)Br 7a_100000185759_100009813939 [0,2,0,0,0,0|1,1,0]=4 9011 B13R1.9 CCC#CCOc1ccc(cc1)C 34a_100000210336_100009813939 [0,2,0,0,0,0|2,0,0]=4 9012 B13R1.9 CCC#CCOc1ccc(cc1)C 7a_100000210336_100009813939 [0,2,0,0,0,0|2,0,0]=4 9013 B13R1.9 CCC#CCOc1ccc(cc1)Cl 34a_100000210216_100009813939 [0,2,0,0,0,0|1,0,0]=3 9014 B13R1.9 CCC#CCOc1ccc(cc1)Cl 7a_100000210216_100009813939 [0,2,0,0,0,0|1,0,0]=3 9015 B13R1.9 CCC#CCOc1ccc(cc1)F 34a_100000210339_100009813939 [0,2,0,0,0,0|1,1,0]=4 9016 B13R1.9 CCC#CCOc1ccc(cc1)I 34a_100000212066_100009813939 [0,2,0,0,0,0|1,1,0]=4 9017 B13R1.9 CCC#CCOc1ccc(cc1)I 7a_100000212066_100009813939 [0,2,0,0,0,0|1,1,0]=4 9018 B13R1.9 CCC#CCOc1ccc(cc1)N 34a_100000185829_100009813939 [0,2,0,0,0,0|2,0,0]=4 9019 B13R1.9 CCC#CCOc1ccc(cn1)Cl 34a_100011215309_100009813939 [0,2,0,0,0,0|2,0,0]=4 9020 B13R1.9 CCC#CCOc1ccc(nc1)Cl 34a_100000744096_100009813939 [0,2,0,0,0,0|2,0,0]=4 9021 B13R1.9 CCC#CCOc1ccc(nc1)Cl 7a_100000744096_100009813939 [0,2,0,0,0,0|2,0,0]=4 9022 B13R1.9 CCC#CCSc1ccc(cc1)Cl 62a_100000755918_100009813939 [0,2,0,0,0,0|1,1,0]=4 9023 B13R1.9 CCC#CCSc1ccc(cc1)Cl 62a_100009813939_100000755918 [0,2,0,0,0,0|1,1,0]=4 9024 B13R1.9 CCCC=NNc1ccc(cc1)Cl 4a_100000683521_100000185831 [0,2,0,0,0,0|2,0,0]=4 9025 B13R1.9 CCCCC=Cc1ccc(cc1)Cl 271570a_100016275911_100000755918 [0,2,0,0,0,0|2,0,0]=4 9026 B13R1.9 CCCCCNc1ccc(cc1)Cl 2230a_100000210052_100000210326 [0,2,0,0,0,0|2,0,0]=4 9027 B13R1.9 CCCCCNc1ccc(cc1)Cl 34a_100000210052_100000718602 [0,2,0,0,0,0|2,0,0]=4 9028 B13R1.9 CCCCCOc1ccc(cc1)Br 34a_100000185759_100000718602 [0,2,0,0,0,0|1,1,0]=4 9029 B13R1.9 CCCCCOc1ccc(cc1)Br 7a_100000185759_100000210326 [0,2,0,0,0,0|1,1,0]=4 9030 B13R1.9 CCCCCOc1ccc(cc1)C 34a_100000210336_100000718602 [0,2,0,0,0,0|2,0,0]=4 9031 B13R1.9 CCCCCOc1ccc(cc1)C 7a_100000210336_100000210326 [0,2,0,0,0,0|2,0,0]=4 9032 B13R1.9 CCCCCOc1ccc(cc1)Cl 34a_100000210216_100000718602 [0,2,0,0,0,0|1,0,0]=3 9033 B13R1.9 CCCCCOc1ccc(cc1)Cl 7a_100000210216_100000210326 [0,2,0,0,0,0|1,0,0]=3 9034 B13R1.9 CCCCCOc1ccc(cc1)F 34a_100000210339_100000718602 [0,2,0,0,0,0|1,1,0]=4 9035 B13R1.9 CCCCCOc1ccc(cc1)I 34a_100000212066_100000718602 [0,2,0,0,0,0|1,1,0]=4 9036 B13R1.9 CCCCCOc1ccc(cc1)I 7a_100000212066_100000210326 [0,2,0,0,0,0|1,1,0]=4 9037 B13R1.9 CCCCCOc1ccc(cc1)N 34a_100000185829_100000718602 [0,2,0,0,0,0|2,0,0]=4 9038 B13R1.9 CCCCCOc1ccc(cc1)O 271570a_203496583355_200011214818 [0,2,0,0,0,0|2,0,0]=4 9039 B13R1.9 CCCCCOc1ccc(cn1)Cl 34a_100011215309_100000718602 [0,2,0,0,0,0|2,0,0]=4 9040 B13R1.9 CCCCCOc1ccc(nc1)Cl 34a_100000744096_100000718602 [0,2,0,0,0,0|2,0,0]=4 9041 B13R1.9 CCCCCOc1ccc(nc1)Cl 7a_100000744096_100000210326 [0,2,0,0,0,0|2,0,0]=4 9042 B13R1.9 CCCCCSc1ccc(cc1)Cl 62a_100000210326_100000755918 [0,2,0,0,0,0|1,1,0]=4 9043 B13R1.9 CCCCCSc1ccc(cc1)Cl 62a_100000755918_100000210326 [0,2,0,0,0,0|1,1,0]=4 9044 B13R1.9 CCCCNCc1ccc(cc1)Cl 207a_100000102301_100000189385 [0,2,0,0,0,0|2,0,0]=4 9045 B13R1.9 CCCCNCc1ccc(cc1)Cl 2230a_100000102301_100000694040 [0,2,0,0,0,0|2,0,0]=4 9046 B13R1.9 CCCCNCc1ccc(cc1)Cl 2230a_100000174871_100000210211 [0,2,0,0,0,0|2,0,0]=4 9047 B13R1.9 CCCCNCc1ccc(cc1)Cl 270004a_100000102301_100000189385 [0,2,0,0,0,0|2,0,0]=4 9048 B13R1.9 CCCCNCc1ccc(cc1)Cl 34a_100000174871_100000210210 [0,2,0,0,0,0|2,0,0]=4 9049 B13R1.9 CCCCNCc1ccc(cc1)Cl 7a_106832991798_100000187161 [0,2,0,0,0,0|2,0,0]=4 9050 B13R1.9 CCCCOCc1ccc(cc1)Br 34a_100000210227_100000189115 [0,2,0,0,0,0|1,1,0]=4 9051 B13R1.9 CCCCOCc1ccc(cc1)Br 34a_100000695286_100000210210 [0,2,0,0,0,0|1,1,0]=4 9052 B13R1.9 CCCCOCc1ccc(cc1)Br 7a_100000210227_100011217064 [0,2,0,0,0,0|1,1,0]=4 9053 B13R1.9 CCCCOCc1ccc(cc1)C 34a_100000210227_100000210814 [0,2,0,0,0,0|2,0,0]=4 9054 B13R1.9 CCCCOCc1ccc(cc1)C 34a_100011215236_100000210210 [0,2,0,0,0,0|2,0,0]=4 9055 B13R1.9 CCCCOCc1ccc(cc1)C 7a_100000210227_100000210814 [0,2,0,0,0,0|2,0,0]=4 9056 B13R1.9 CCCCOCc1ccc(cc1)C 7a_100011215236_100000210211 [0,2,0,0,0,0|2,0,0]=4 9057 B13R1.9 CCCCOCc1ccc(cc1)Cl 34a_100000210227_100000694040 [0,2,0,0,0,0|1,0,0]=3 9058 B13R1.9 CCCCOCc1ccc(cc1)Cl 34a_100000211118_100000210210 [0,2,0,0,0,0|1,0,0]=3 9059 B13R1.9 CCCCOCc1ccc(cc1)Cl 7a_100000210227_100000187161 [0,2,0,0,0,0|1,0,0]=3 9060 B13R1.9 CCCCOCc1ccc(cc1)Cl 7a_100000211118_100000210211 [0,2,0,0,0,0|1,0,0]=3 9061 B13R1.9 CCCCOCc1ccc(cc1)F 34a_100000210227_100000198546 [0,2,0,0,0,0|1,1,0]=4 9062 B13R1.9 CCCCOCc1ccc(cc1)F 34a_100000210977_100000210210 [0,2,0,0,0,0|1,1,0]=4 9063 B13R1.9 CCCCOCc1ccc(cc1)F 7a_100000210227_100000198546 [0,2,0,0,0,0|1,1,0]=4 9064 B13R1.9 CCCCOCc1ccc(cc1)F 7a_100000210977_100000210211 [0,2,0,0,0,0|1,1,0]=4 9065 B13R1.9 CCCCOCc1ccc(cc1)I 34a_100000210227_100000189116 [0,2,0,0,0,0|1,1,0]=4 9066 B13R1.9 CCCCOCc1ccc(cc1)I 34a_100000690907_100000210210 [0,2,0,0,0,0|1,1,0]=4 9067 B13R1.9 CCCCOCc1ccc(cc1)I 7a_100000210227_100000189116 [0,2,0,0,0,0|1,1,0]=4 9068 B13R1.9 CCCCOCc1ccc(cc1)I 7a_100000690907_100000210211 [0,2,0,0,0,0|1,1,0]=4 9069 B13R1.9 CCCCOCc1ccc(cc1)N 34a_100011215238_100000210210 [0,2,0,0,0,0|2,0,0]=4 9070 B13R1.9 CCCCOCc1ccc(cn1)Cl 34a_100000210227_100012066911 [0,2,0,0,0,0|2,0,0]=4 9071 B13R1.9 CCCCOCc1ccc(cn1)Cl 34a_100000703999_100000210210 [0,2,0,0,0,0|2,0,0]=4 9072 B13R1.9 CCCCOCc1ccc(cn1)Cl 7a_100000210227_100012066911 [0,2,0,0,0,0|2,0,0]=4 9073 B13R1.9 CCCCOCc1ccc(nc1)Cl 34a_100000210227_100000735431 [0,2,0,0,0,0|2,0,0]=4 9074 B13R1.9 CCCCOCc1ccc(nc1)Cl 34a_100000755211_100000210210 [0,2,0,0,0,0|2,0,0]=4 9075 B13R1.9 CCCCOCc1ccc(nc1)Cl 7a_100000210227_100000735431 [0,2,0,0,0,0|2,0,0]=4 9076 B13R1.9 CCCCOCc1ccc(nc1)Cl 7a_100000755211_100000210211 [0,2,0,0,0,0|2,0,0]=4 9077 B13R1.9 CCCCSCc1ccc(cc1)Cl 62a_100000187161_100000210210 [0,2,0,0,0,0|1,1,0]=4 9078 B13R1.9 CCCCSCc1ccc(cc1)Cl 62a_100000210211_100000187161 [0,2,0,0,0,0|1,1,0]=4 9079 B13R1.9 CCCNCCc1ccc(cc1)Cl 2230a_100000185265_100000210303 [0,2,0,0,0,0|2,0,0]=4 9080 B13R1.9 CCCNCCc1ccc(cc1)Cl 34a_100000185265_100000210303 [0,2,0,0,0,0|2,0,0]=4 9081 B13R1.9 CCCNN=Cc1ccc(cc1)Cl 4a_100000740057_100000189385 [0,2,0,0,0,0|2,0,0]=4 9082 B13R1.9 CCCOCCc1ccc(cc1)Br 34a_100000210258_100011740612 [0,2,0,0,0,0|1,1,0]=4 9083 B13R1.9 CCCOCCc1ccc(cc1)Br 34a_100000766406_100000210303 [0,2,0,0,0,0|1,1,0]=4 9084 B13R1.9 CCCOCCc1ccc(cc1)Br 7a_100000766406_100000210303 [0,2,0,0,0,0|1,1,0]=4 9085 B13R1.9 CCCOCCc1ccc(cc1)C 34a_100000210258_100011713686 [0,2,0,0,0,0|2,0,0]=4 9086 B13R1.9 CCCOCCc1ccc(cc1)C 34a_100000756670_100000210303 [0,2,0,0,0,0|2,0,0]=4 9087 B13R1.9 CCCOCCc1ccc(cc1)C 7a_100000756670_100000210303 [0,2,0,0,0,0|2,0,0]=4 9088 B13R1.9 CCCOCCc1ccc(cc1)Cl 34a_100000210258_100011713675 [0,2,0,0,0,0|1,0,0]=3 9089 B13R1.9 CCCOCCc1ccc(cc1)Cl 34a_100011219627_100000210303 [0,2,0,0,0,0|1,0,0]=3 9090 B13R1.9 CCCOCCc1ccc(cc1)Cl 7a_100011219627_100000210303 [0,2,0,0,0,0|1,0,0]=3 9091 B13R1.9 CCCOCCc1ccc(cc1)F 34a_100000210258_100011217392 [0,2,0,0,0,0|1,1,0]=4 9092 B13R1.9 CCCOCCc1ccc(cc1)F 34a_100000754732_100000210303 [0,2,0,0,0,0|1,1,0]=4 9093 B13R1.9 CCCOCCc1ccc(cc1)F 7a_100000754732_100000210303 [0,2,0,0,0,0|1,1,0]=4 9094 B13R1.9 CCCOCCc1ccc(cc1)I 34a_100012291149_100000210303 [0,2,0,0,0,0|1,1,0]=4 9095 B13R1.9 CCCOCCc1ccc(cc1)I 7a_100012291149_100000210303 [0,2,0,0,0,0|1,1,0]=4 9096 B13R1.9 CCCOCCc1ccc(cc1)N 34a_100011204434_100000210303 [0,2,0,0,0,0|2,0,0]=4 9097 B13R1.9 CCCOCCc1ccc(nc1)Cl 34a_100009880866_100000210303 [0,2,0,0,0,0|2,0,0]=4 9098 B13R1.9 CCCOCCc1ccc(nc1)Cl 7a_100009880866_100000210303 [0,2,0,0,0,0|2,0,0]=4 9099 B13R1.9 CCCSCCc1ccc(cc1)Cl 62a_100000210303_100011713675 [0,2,0,0,0,0|1,1,0]=4 9100 B13R1.9 CCCSCCc1ccc(cc1)Cl 62a_100011713675_100000210303 [0,2,0,0,0,0|1,1,0]=4 9101 B13R1.9 CCNCC#Cc1ccc(cc1)Cl 2230a_100011352944_100000210202 [0,2,0,0,0,0|2,0,0]=4 9102 B13R1.9 CCNCC#Cc1ccc(cc1)Cl 34a_100011352944_100000210202 [0,2,0,0,0,0|2,0,0]=4 9103 B13R1.9 CCNCC=Cc1ccc(cc1)Cl 270004a_100015525214_100102525842 [0,2,0,0,0,0|2,0,0]=4 9104 B13R1.9 CCNCCCc1ccc(cc1)Cl 2230a_100000748451_100000210202 [0,2,0,0,0,0|2,0,0]=4 9105 B13R1.9 CCNCCCc1ccc(cc1)Cl 2230a_100015525214_100000759440 [0,2,0,0,0,0|2,0,0]=4 9106 B13R1.9 CCNCCCc1ccc(cc1)Cl 34a_100000748451_100000210202 [0,2,0,0,0,0|2,0,0]=4 9107 B13R1.9 CCNCCOc1ccc(cc1)Br 2230a_100000746992_100000210202 [0,2,0,0,0,0|1,1,0]=4 9108 B13R1.9 CCNCCOc1ccc(cc1)Br 2230a_100015525214_100000183278 [0,2,0,0,0,0|1,1,0]=4 9109 B13R1.9 CCNCCOc1ccc(cc1)Br 34a_100000746992_100000210202 [0,2,0,0,0,0|1,1,0]=4 9110 B13R1.9 CCNCCOc1ccc(cc1)C 2230a_100015525214_100000183172 [0,2,0,0,0,0|2,0,0]=4 9111 B13R1.9 CCNCCOc1ccc(cc1)C 2230a_100020666663_100000210202 [0,2,0,0,0,0|2,0,0]=4 9112 B13R1.9 CCNCCOc1ccc(cc1)C 34a_100020666663_100000210202 [0,2,0,0,0,0|2,0,0]=4 9113 B13R1.9 CCNCCOc1ccc(cc1)Cl 2230a_100000697975_100000210202 [0,2,0,0,0,0|1,0,0]=3 9114 B13R1.9 CCNCCOc1ccc(cc1)Cl 2230a_100015525214_100000184122 [0,2,0,0,0,0|1,0,0]=3 9115 B13R1.9 CCNCCOc1ccc(cc1)Cl 34a_100000697975_100000210202 [0,2,0,0,0,0|1,0,0]=3 9116 B13R1.9 CCNCCOc1ccc(cc1)F 2230a_100000737420_100000210202 [0,2,0,0,0,0|1,1,0]=4 9117 B13R1.9 CCNCCOc1ccc(cc1)F 2230a_100015525214_100000184936 [0,2,0,0,0,0|1,1,0]=4 9118 B13R1.9 CCNCCOc1ccc(cc1)F 34a_100000737420_100000210202 [0,2,0,0,0,0|1,1,0]=4 9119 B13R1.9 CCNCCOc1ccc(cc1)O 271570a_203496583355_100000762749 [0,2,0,0,0,0|2,0,0]=4 9120 B13R1.9 CCNCCSc1ccc(cc1)Cl 2230a_100000174974_100000210202 [0,2,0,0,0,0|1,1,0]=4 9121 B13R1.9 CCOCCCc1ccc(cc1)Br 34a_100011709247_100000210202 [0,2,0,0,0,0|1,1,0]=4 9122 B13R1.9 CCOCCCc1ccc(cc1)Br 34a_100121572206_100011713682 [0,2,0,0,0,0|1,1,0]=4 9123 B13R1.9 CCOCCCc1ccc(cc1)Br 7a_100011709247_100000210202 [0,2,0,0,0,0|1,1,0]=4 9124 B13R1.9 CCOCCCc1ccc(cc1)C 34a_100000189427_100000210202 [0,2,0,0,0,0|2,0,0]=4 9125 B13R1.9 CCOCCCc1ccc(cc1)C 7a_100000189427_100000210202 [0,2,0,0,0,0|2,0,0]=4 9126 B13R1.9 CCOCCCc1ccc(cc1)Cl 34a_100011217485_100000210202 [0,2,0,0,0,0|1,0,0]=3 9127 B13R1.9 CCOCCCc1ccc(cc1)Cl 34a_100121572206_100000759440 [0,2,0,0,0,0|1,0,0]=3 9128 B13R1.9 CCOCCCc1ccc(cc1)Cl 7a_100011217485_100000210202 [0,2,0,0,0,0|1,0,0]=3 9129 B13R1.9 CCOCCCc1ccc(cc1)F 34a_100000757351_100000210202 [0,2,0,0,0,0|1,1,0]=4 9130 B13R1.9 CCOCCCc1ccc(cc1)F 34a_100121572206_200011713563 [0,2,0,0,0,0|1,1,0]=4 9131 B13R1.9 CCOCCCc1ccc(cc1)F 7a_100000757351_100000210202 [0,2,0,0,0,0|1,1,0]=4 9132 B13R1.9 CCOCCNc1ccc(cc1)Br 2230a_100000210018_100011215890 [0,2,0,0,0,0|1,1,0]=4 9133 B13R1.9 CCOCCNc1ccc(cc1)Br 34a_100000210018_100000210147 [0,2,0,0,0,0|1,1,0]=4 9134 B13R1.9 CCOCCNc1ccc(cc1)C 34a_100000124888_100000210147 [0,2,0,0,0,0|2,0,0]=4 9135 B13R1.9 CCOCCNc1ccc(cc1)Cl 2230a_100000210052_100011215890 [0,2,0,0,0,0|1,0,0]=3 9136 B13R1.9 CCOCCNc1ccc(cc1)Cl 34a_100000210052_100000210147 [0,2,0,0,0,0|1,0,0]=3 9137 B13R1.9 CCOCCNc1ccc(cc1)F 34a_100000185862_100000210147 [0,2,0,0,0,0|1,1,0]=4 9138 B13R1.9 CCOCCNc1ccc(cc1)I 34a_100000185761_100000210147 [0,2,0,0,0,0|1,1,0]=4 9139 B13R1.9 CCOCCNc1ccc(cc1)O 34a_100000185829_100000210147 [0,2,0,0,0,0|2,0,0]=4 9140 B13R1.9 CCOCCOc1ccc(=O)[nH]c1 34a_100000075641_100000210147 [0,2,0,0,0,0|2,0,0]=4 9141 B13R1.9 CCOCCOc1ccc(cc1)Br 34a_100000185759_100000210147 [0,2,0,0,0,0|0,1,0]=3 9142 B13R1.9 CCOCCOc1ccc(cc1)Br 34a_100000686261_100000210202 [0,2,0,0,0,0|0,1,0]=3 9143 B13R1.9 CCOCCOc1ccc(cc1)Br 34a_100121572206_100000183278 [0,2,0,0,0,0|0,1,0]=3 9144 B13R1.9 CCOCCOc1ccc(cc1)Br 7a_100000185759_100011215890 [0,2,0,0,0,0|0,1,0]=3 9145 B13R1.9 CCOCCOc1ccc(cc1)Br 7a_100000686261_100000210202 [0,2,0,0,0,0|0,1,0]=3 9146 B13R1.9 CCOCCOc1ccc(cc1)C 34a_100000210336_100000210147 [0,2,0,0,0,0|1,0,0]=3 9147 B13R1.9 CCOCCOc1ccc(cc1)C 34a_100011219107_100000210202 [0,2,0,0,0,0|1,0,0]=3 9148 B13R1.9 CCOCCOc1ccc(cc1)C 34a_100121572206_100000183172 [0,2,0,0,0,0|1,0,0]=3 9149 B13R1.9 CCOCCOc1ccc(cc1)C 7a_100000210336_100011215890 [0,2,0,0,0,0|1,0,0]=3 9150 B13R1.9 CCOCCOc1ccc(cc1)C 7a_100011219107_100000210202 [0,2,0,0,0,0|1,0,0]=3 9151 B13R1.9 CCOCCOc1ccc(cc1)Cl 34a_100000210216_100000210147 [0,2,0,0,0,0|0,0,0]=2 9152 B13R1.9 CCOCCOc1ccc(cc1)Cl 34a_100000237962_100000210202 [0,2,0,0,0,0|0,0,0]=2 9153 B13R1.9 CCOCCOc1ccc(cc1)Cl 34a_100121572206_100000184122 [0,2,0,0,0,0|0,0,0]=2 9154 B13R1.9 CCOCCOc1ccc(cc1)Cl 7a_100000210216_100011215890 [0,2,0,0,0,0|0,0,0]=2 9155 B13R1.9 CCOCCOc1ccc(cc1)Cl 7a_100000237962_100000210202 [0,2,0,0,0,0|0,0,0]=2 9156 B13R1.9 CCOCCOc1ccc(cc1)F 34a_100000210339_100000210147 [0,2,0,0,0,0|0,1,0]=3 9157 B13R1.9 CCOCCOc1ccc(cc1)F 34a_100121572206_100000184936 [0,2,0,0,0,0|0,1,0]=3 9158 B13R1.9 CCOCCOc1ccc(cc1)I 34a_100000212066_100000210147 [0,2,0,0,0,0|0,1,0]=3 9159 B13R1.9 CCOCCOc1ccc(cc1)I 7a_100000212066_100011215890 [0,2,0,0,0,0|0,1,0]=3 9160 B13R1.9 CCOCCOc1ccc(cc1)N 34a_100000185829_100000210147 [0,2,0,0,0,0|1,0,0]=3 9161 B13R1.9 CCOCCOc1ccc(cc1)N 34a_100000754363_100000210202 [0,2,0,0,0,0|1,0,0]=3 9162 B13R1.9 CCOCCOc1ccc(cc1)O 271570a_203496583355_200000169944 [0,2,0,0,0,0|1,0,0]=3 9163 B13R1.9 CCOCCOc1ccc(cn1)C 34a_100000759353_100000210147 [0,2,0,0,0,0|2,0,0]=4 9164 B13R1.9 CCOCCOc1ccc(cn1)Cl 34a_100011215309_100000210147 [0,2,0,0,0,0|1,0,0]=3 9165 B13R1.9 CCOCCOc1ccc(cn1)F 34a_100000742473_100000210147 [0,2,0,0,0,0|1,1,0]=4 9166 B13R1.9 CCOCCOc1ccc(cn1)N 34a_100000729260_100000210147 [0,2,0,0,0,0|2,0,0]=4 9167 B13R1.9 CCOCCOc1ccc(cn1)N 34a_100102662783_100000210202 [0,2,0,0,0,0|2,0,0]=4 9168 B13R1.9 CCOCCOc1ccc(nc1)Br 34a_100000685995_100000210147 [0,2,0,0,0,0|1,1,0]=4 9169 B13R1.9 CCOCCOc1ccc(nc1)Br 34a_200013150534_100000210202 [0,2,0,0,0,0|1,1,0]=4 9170 B13R1.9 CCOCCOc1ccc(nc1)Br 7a_100000685995_100011215890 [0,2,0,0,0,0|1,1,0]=4 9171 B13R1.9 CCOCCOc1ccc(nc1)Br 7a_200013150534_100000210202 [0,2,0,0,0,0|1,1,0]=4 9172 B13R1.9 CCOCCOc1ccc(nc1)C 34a_100000745506_100000210147 [0,2,0,0,0,0|2,0,0]=4 9173 B13R1.9 CCOCCOc1ccc(nc1)C 7a_100000745506_100011215890 [0,2,0,0,0,0|2,0,0]=4 9174 B13R1.9 CCOCCOc1ccc(nc1)Cl 34a_100000744096_100000210147 [0,2,0,0,0,0|1,0,0]=3 9175 B13R1.9 CCOCCOc1ccc(nc1)Cl 7a_100000744096_100011215890 [0,2,0,0,0,0|1,0,0]=3 9176 B13R1.9 CCOCCOc1ccc(nc1)F 34a_100000688820_100000210147 [0,2,0,0,0,0|1,1,0]=4 9177 B13R1.9 CCOCCOc1ccc(nc1)F 7a_100000688820_100011215890 [0,2,0,0,0,0|1,1,0]=4 9178 B13R1.9 CCOCCOc1ccc(nc1)I 34a_100000687607_100000210147 [0,2,0,0,0,0|1,1,0]=4 9179 B13R1.9 CCOCCOc1ccc(nc1)I 7a_100000687607_100011215890 [0,2,0,0,0,0|1,1,0]=4 9180 B13R1.9 CCOCCOc1ccc(nc1)N 34a_100015188713_100000210147 [0,2,0,0,0,0|2,0,0]=4 9181 B13R1.9 CCOCCOc1ccc(nc1)N 7a_100015188713_100011215890 [0,2,0,0,0,0|2,0,0]=4 9182 B13R1.9 CCOCCOc1cnc(cn1)Cl 34a_100015839800_100000210147 [0,2,0,0,0,0|2,0,0]=4 9183 B13R1.9 CCOCCOc1cnc(nc1)Cl 34a_100000092845_100000210147 [0,2,0,0,0,0|2,0,0]=4 9184 B13R1.9 CCOCCOc1cnc(nc1)Cl 7a_100000092845_100011215890 [0,2,0,0,0,0|2,0,0]=4 9185 B13R1.9 CCOCCSc1ccc(cc1)Br 62a_100000210147_100000752885 [0,2,0,0,0,0|0,2,0]=4 9186 B13R1.9 CCOCCSc1ccc(cc1)Br 62a_100000752885_100011215890 [0,2,0,0,0,0|0,2,0]=4 9187 B13R1.9 CCOCCSc1ccc(cc1)C 34a_200000230582_100000210202 [0,2,0,0,0,0|1,1,0]=4 9188 B13R1.9 CCOCCSc1ccc(cc1)C 62a_100000186775_100011215890 [0,2,0,0,0,0|1,1,0]=4 9189 B13R1.9 CCOCCSc1ccc(cc1)C 62a_100000210147_100000186775 [0,2,0,0,0,0|1,1,0]=4 9190 B13R1.9 CCOCCSc1ccc(cc1)C 7a_200000230582_100000210202 [0,2,0,0,0,0|1,1,0]=4 9191 B13R1.9 CCOCCSc1ccc(cc1)Cl 34a_100000230527_100000210202 [0,2,0,0,0,0|0,1,0]=3 9192 B13R1.9 CCOCCSc1ccc(cc1)Cl 62a_100000210147_100000755918 [0,2,0,0,0,0|0,1,0]=3 9193 B13R1.9 CCOCCSc1ccc(cc1)Cl 62a_100000755918_100011215890 [0,2,0,0,0,0|0,1,0]=3 9194 B13R1.9 CCOCCSc1ccc(cc1)Cl 7a_100000230527_100000210202 [0,2,0,0,0,0|0,1,0]=3 9195 B13R1.9 CCOCCSc1ccc(cc1)F 34a_200000230679_100000210202 [0,2,0,0,0,0|0,2,0]=4 9196 B13R1.9 CCOCCSc1ccc(cc1)F 62a_100000210147_100000211213 [0,2,0,0,0,0|0,2,0]=4 9197 B13R1.9 CCOCCSc1ccc(cc1)F 62a_100000211213_100011215890 [0,2,0,0,0,0|0,2,0]=4 9198 B13R1.9 CCOCCSc1ccc(cc1)F 7a_200000230679_100000210202 [0,2,0,0,0,0|0,2,0]=4 9199 B13R1.9 CCOCCSc1ccc(cc1)N 62a_100000185761_100011215890 [0,2,0,0,0,0|1,1,0]=4 9200 B13R1.9 CCOCCSc1ccc(cc1)N 62a_100000210147_100000185761 [0,2,0,0,0,0|1,1,0]=4 9201 B13R1.9 CCOCCSc1ccc(cc1)O 62a_100000210147_100000185759 [0,2,0,0,0,0|1,1,0]=4 9202 B13R1.9 CCOCCSc1ccc(cn1)Cl 62a_100000210147_100011356976 [0,2,0,0,0,0|1,1,0]=4 9203 B13R1.9 CCOCCSc1ccc(cn1)Cl 62a_100011356976_100011215890 [0,2,0,0,0,0|1,1,0]=4 9204 B13R1.9 CCOCCSc1ccc(nc1)Cl 62a_100000034144_100011215890 [0,2,0,0,0,0|1,1,0]=4 9205 B13R1.9 CCOCCSc1ccc(nc1)Cl 62a_100000210147_100000034144 [0,2,0,0,0,0|1,1,0]=4 9206 B13R1.9 CCOCSCc1ccc(cc1)Cl 62a_100000187161_100000739092 [0,2,0,0,0,0|1,1,0]=4 9207 B13R1.9 CCOCSCc1ccc(cc1)Cl 62a_100000739092_100000187161 [0,2,0,0,0,0|1,1,0]=4 9208 B13R1.9 CCSCCCc1ccc(cc1)Cl 62a_100000210202_100000759440 [0,2,0,0,0,0|1,1,0]=4 9209 B13R1.9 CCSCCCc1ccc(cc1)Cl 62a_100000759440_100000210202 [0,2,0,0,0,0|1,1,0]=4 9210 B13R1.9 CCSCCNc1ccc(cc1)Cl 2230a_100000210052_100000757381 [0,2,0,0,0,0|1,1,0]=4 9211 B13R1.9 CCSCCNc1ccc(cc1)Cl 34a_100000210052_100000757381 [0,2,0,0,0,0|1,1,0]=4 9212 B13R1.9 CCSCCOc1ccc(cc1)Br 34a_100000185759_100000757381 [0,2,0,0,0,0|0,2,0]=4 9213 B13R1.9 CCSCCOc1ccc(cc1)Br 62a_100000183278_100000210202 [0,2,0,0,0,0|0,2,0]=4 9214 B13R1.9 CCSCCOc1ccc(cc1)Br 62a_100000210202_100000183278 [0,2,0,0,0,0|0,2,0]=4 9215 B13R1.9 CCSCCOc1ccc(cc1)Br 7a_100000185759_100000757381 [0,2,0,0,0,0|0,2,0]=4 9216 B13R1.9 CCSCCOc1ccc(cc1)C 34a_100000210336_100000757381 [0,2,0,0,0,0|1,1,0]=4 9217 B13R1.9 CCSCCOc1ccc(cc1)C 62a_100000183172_100000210202 [0,2,0,0,0,0|1,1,0]=4 9218 B13R1.9 CCSCCOc1ccc(cc1)C 62a_100000210202_100000183172 [0,2,0,0,0,0|1,1,0]=4 9219 B13R1.9 CCSCCOc1ccc(cc1)C 7a_100000210336_100000757381 [0,2,0,0,0,0|1,1,0]=4 9220 B13R1.9 CCSCCOc1ccc(cc1)Cl 34a_100000210216_100000757381 [0,2,0,0,0,0|0,1,0]=3 9221 B13R1.9 CCSCCOc1ccc(cc1)Cl 62a_100000184122_100000210202 [0,2,0,0,0,0|0,1,0]=3 9222 B13R1.9 CCSCCOc1ccc(cc1)Cl 62a_100000210202_100000184122 [0,2,0,0,0,0|0,1,0]=3 9223 B13R1.9 CCSCCOc1ccc(cc1)Cl 7a_100000210216_100000757381 [0,2,0,0,0,0|0,1,0]=3 9224 B13R1.9 CCSCCOc1ccc(cc1)F 34a_100000210339_100000757381 [0,2,0,0,0,0|0,2,0]=4 9225 B13R1.9 CCSCCOc1ccc(cc1)F 62a_100000184936_100000210202 [0,2,0,0,0,0|0,2,0]=4 9226 B13R1.9 CCSCCOc1ccc(cc1)F 62a_100000210202_100000184936 [0,2,0,0,0,0|0,2,0]=4 9227 B13R1.9 CCSCCOc1ccc(cc1)I 34a_100000212066_100000757381 [0,2,0,0,0,0|0,2,0]=4 9228 B13R1.9 CCSCCOc1ccc(cc1)I 7a_100000212066_100000757381 [0,2,0,0,0,0|0,2,0]=4 9229 B13R1.9 CCSCCOc1ccc(cc1)N 34a_100000185829_100000757381 [0,2,0,0,0,0|1,1,0]=4 9230 B13R1.9 CCSCCOc1ccc(cn1)Cl 34a_100011215309_100000757381 [0,2,0,0,0,0|1,1,0]=4 9231 B13R1.9 CCSCCOc1ccc(nc1)Cl 34a_100000744096_100000757381 [0,2,0,0,0,0|1,1,0]=4 9232 B13R1.9 CCSCCOc1ccc(nc1)Cl 7a_100000744096_100000757381 [0,2,0,0,0,0|1,1,0]=4 9233 B13R1.9 CCSCCSc1ccc(cc1)Cl 62a_100000755918_100000757381 [0,2,0,0,0,0|0,2,0]=4 9234 B13R1.9 CCSCCSc1ccc(cc1)Cl 62a_100000757381_100000755918 [0,2,0,0,0,0|0,2,0]=4 9235 B13R1.9 CNCCCCc1ccc(cc1)Cl 2230a_100160821348_200000210301 [0,2,0,0,0,0|2,0,0]=4 9236 B13R1.9 CNCCCCc1ccc(cc1)Cl 34a_100160821348_200000210301 [0,2,0,0,0,0|2,0,0]=4 9237 B13R1.9 CNCCCOc1ccc(cc1)Br 2230a_106832991635_100011259224 [0,2,0,0,0,0|1,1,0]=4 9238 B13R1.9 CNCCCOc1ccc(cc1)Br 34a_100102657272_100011259224 [0,2,0,0,0,0|1,1,0]=4 9239 B13R1.9 CNCCCOc1ccc(cc1)Br 7a_106832991635_100011259224 [0,2,0,0,0,0|1,1,0]=4 9240 B13R1.9 CNCCCOc1ccc(cc1)C 34a_100000747266_200000210301 [0,2,0,0,0,0|2,0,0]=4 9241 B13R1.9 CNCCCOc1ccc(cc1)Cl 2230a_200011199081_200000210301 [0,2,0,0,0,0|1,0,0]=3 9242 B13R1.9 CNCCCOc1ccc(cc1)Cl 34a_200011199081_200000210301 [0,2,0,0,0,0|1,0,0]=3 9243 B13R1.9 CNCCCOc1ccc(cc1)F 2230a_100000747263_200000210301 [0,2,0,0,0,0|1,1,0]=4 9244 B13R1.9 CNCCCOc1ccc(cc1)F 2230a_106832991635_100000181347 [0,2,0,0,0,0|1,1,0]=4 9245 B13R1.9 CNCCCOc1ccc(cc1)F 34a_100000747263_200000210301 [0,2,0,0,0,0|1,1,0]=4 9246 B13R1.9 CNCCCOc1ccc(cc1)F 34a_100102657272_100000181347 [0,2,0,0,0,0|1,1,0]=4 9247 B13R1.9 CNCCCOc1ccc(cc1)F 7a_106832991635_100000181347 [0,2,0,0,0,0|1,1,0]=4 9248 B13R1.9 CNCCCOc1ccc(cc1)O 271570a_203496583355_100102699777 [0,2,0,0,0,0|2,0,0]=4 9249 B13R1.9 CNCCCSc1ccc(cc1)Cl 2230a_100000189518_200000210301 [0,2,0,0,0,0|1,1,0]=4 9250 B13R1.9 CNCCOCc1ccc(cc1)Cl 2230a_100000189180_200000210301 [0,2,0,0,0,0|1,0,0]=3 9251 B13R1.9 CNCCOCc1ccc(cc1)Cl 34a_100000189180_200000210301 [0,2,0,0,0,0|1,0,0]=3 9252 B13R1.9 CNCCSCc1ccc(cc1)Cl 2230a_100000739548_200000210301 [0,2,0,0,0,0|1,1,0]=4 9253 B13R1.9 CNCCSCc1ccc(cc1)Cl 34a_100000739548_200000210301 [0,2,0,0,0,0|1,1,0]=4 9254 B13R1.9 CNCCSCc1ccc(cc1)Cl 7a_100000739548_200000210301 [0,2,0,0,0,0|1,1,0]=4 9255 B13R1.9 COCCCCc1ccc(cc1)Br 34a_100138415774_200012094861 [0,2,0,0,0,0|1,1,0]=4 9256 B13R1.9 COCCCCc1ccc(cc1)F 34a_100138415774_100012093538 [0,2,0,0,0,0|1,1,0]=4 9257 B13R1.9 COCCCNc1ccc(cc1)Br 2230a_100000210018_100000740836 [0,2,0,0,0,0|1,1,0]=4 9258 B13R1.9 COCCCNc1ccc(cc1)Br 34a_100000210018_100000740836 [0,2,0,0,0,0|1,1,0]=4 9259 B13R1.9 COCCCNc1ccc(cc1)C 34a_100000124888_100000740836 [0,2,0,0,0,0|2,0,0]=4 9260 B13R1.9 COCCCNc1ccc(cc1)Cl 2230a_100000210052_100000740836 [0,2,0,0,0,0|1,0,0]=3 9261 B13R1.9 COCCCNc1ccc(cc1)Cl 34a_100000210052_100000740836 [0,2,0,0,0,0|1,0,0]=3 9262 B13R1.9 COCCCNc1ccc(cc1)F 34a_100000185862_100000740836 [0,2,0,0,0,0|1,1,0]=4 9263 B13R1.9 COCCCNc1ccc(cc1)I 34a_100000185761_100000740836 [0,2,0,0,0,0|1,1,0]=4 9264 B13R1.9 COCCCNc1ccc(cc1)O 34a_100000185829_100000740836 [0,2,0,0,0,0|2,0,0]=4 9265 B13R1.9 COCCCOc1ccc(=O)[nH]c1 34a_100000075641_100000740836 [0,2,0,0,0,0|2,0,0]=4 9266 B13R1.9 COCCCOc1ccc(cc1)Br 34a_100000185759_100000740836 [0,2,0,0,0,0|0,1,0]=3 9267 B13R1.9 COCCCOc1ccc(cc1)Br 34a_100000756186_200000210301 [0,2,0,0,0,0|0,1,0]=3 9268 B13R1.9 COCCCOc1ccc(cc1)Br 34a_100138415774_100011259224 [0,2,0,0,0,0|0,1,0]=3 9269 B13R1.9 COCCCOc1ccc(cc1)Br 7a_100000185759_100000740836 [0,2,0,0,0,0|0,1,0]=3 9270 B13R1.9 COCCCOc1ccc(cc1)Br 7a_100000756186_200000210301 [0,2,0,0,0,0|0,1,0]=3 9271 B13R1.9 COCCCOc1ccc(cc1)C 34a_100000210336_100000740836 [0,2,0,0,0,0|1,0,0]=3 9272 B13R1.9 COCCCOc1ccc(cc1)C 7a_100000210336_100000740836 [0,2,0,0,0,0|1,0,0]=3 9273 B13R1.9 COCCCOc1ccc(cc1)Cl 34a_100000210216_100000740836 [0,2,0,0,0,0|0,0,0]=2 9274 B13R1.9 COCCCOc1ccc(cc1)Cl 7a_100000210216_100000740836 [0,2,0,0,0,0|0,0,0]=2 9275 B13R1.9 COCCCOc1ccc(cc1)F 34a_100000210339_100000740836 [0,2,0,0,0,0|0,1,0]=3 9276 B13R1.9 COCCCOc1ccc(cc1)F 34a_100138415774_100000181347 [0,2,0,0,0,0|0,1,0]=3 9277 B13R1.9 COCCCOc1ccc(cc1)I 34a_100000212066_100000740836 [0,2,0,0,0,0|0,1,0]=3 9278 B13R1.9 COCCCOc1ccc(cc1)I 7a_100000212066_100000740836 [0,2,0,0,0,0|0,1,0]=3 9279 B13R1.9 COCCCOc1ccc(cc1)N 34a_100000185829_100000740836 [0,2,0,0,0,0|1,0,0]=3 9280 B13R1.9 COCCCOc1ccc(cc1)N 34a_100000730458_200000210301 [0,2,0,0,0,0|1,0,0]=3 9281 B13R1.9 COCCCOc1ccc(cc1)O 271570a_203496583355_200011326559 [0,2,0,0,0,0|1,0,0]=3 9282 B13R1.9 COCCCOc1ccc(cn1)C 34a_100000759353_100000740836 [0,2,0,0,0,0|2,0,0]=4 9283 B13R1.9 COCCCOc1ccc(cn1)Cl 34a_100011215309_100000740836 [0,2,0,0,0,0|1,0,0]=3 9284 B13R1.9 COCCCOc1ccc(cn1)F 34a_100000742473_100000740836 [0,2,0,0,0,0|1,1,0]=4 9285 B13R1.9 COCCCOc1ccc(cn1)N 34a_100000729260_100000740836 [0,2,0,0,0,0|2,0,0]=4 9286 B13R1.9 COCCCOc1ccc(nc1)Br 34a_100000685995_100000740836 [0,2,0,0,0,0|1,1,0]=4 9287 B13R1.9 COCCCOc1ccc(nc1)Br 7a_100000685995_100000740836 [0,2,0,0,0,0|1,1,0]=4 9288 B13R1.9 COCCCOc1ccc(nc1)C 34a_100000745506_100000740836 [0,2,0,0,0,0|2,0,0]=4 9289 B13R1.9 COCCCOc1ccc(nc1)C 7a_100000745506_100000740836 [0,2,0,0,0,0|2,0,0]=4 9290 B13R1.9 COCCCOc1ccc(nc1)Cl 34a_100000744096_100000740836 [0,2,0,0,0,0|1,0,0]=3 9291 B13R1.9 COCCCOc1ccc(nc1)Cl 7a_100000744096_100000740836 [0,2,0,0,0,0|1,0,0]=3 9292 B13R1.9 COCCCOc1ccc(nc1)F 34a_100000688820_100000740836 [0,2,0,0,0,0|1,1,0]=4 9293 B13R1.9 COCCCOc1ccc(nc1)F 7a_100000688820_100000740836 [0,2,0,0,0,0|1,1,0]=4 9294 B13R1.9 COCCCOc1ccc(nc1)I 34a_100000687607_100000740836 [0,2,0,0,0,0|1,1,0]=4 9295 B13R1.9 COCCCOc1ccc(nc1)I 7a_100000687607_100000740836 [0,2,0,0,0,0|1,1,0]=4 9296 B13R1.9 COCCCOc1ccc(nc1)N 34a_100015188713_100000740836 [0,2,0,0,0,0|2,0,0]=4 9297 B13R1.9 COCCCOc1ccc(nc1)N 7a_100015188713_100000740836 [0,2,0,0,0,0|2,0,0]=4 9298 B13R1.9 COCCCOc1cnc(cn1)Cl 34a_100015839800_100000740836 [0,2,0,0,0,0|2,0,0]=4 9299 B13R1.9 COCCCOc1cnc(nc1)Cl 34a_100000092845_100000740836 [0,2,0,0,0,0|2,0,0]=4 9300 B13R1.9 COCCCOc1cnc(nc1)Cl 7a_100000092845_100000740836 [0,2,0,0,0,0|2,0,0]=4 9301 B13R1.9 COCCCSc1ccc(cc1)Br 62a_100000709357_100000752885 [0,2,0,0,0,0|0,2,0]=4 9302 B13R1.9 COCCCSc1ccc(cc1)Br 62a_100000752885_100000709357 [0,2,0,0,0,0|0,2,0]=4 9303 B13R1.9 COCCCSc1ccc(cc1)C 62a_100000186775_100000709357 [0,2,0,0,0,0|1,1,0]=4 9304 B13R1.9 COCCCSc1ccc(cc1)C 62a_100000709357_100000186775 [0,2,0,0,0,0|1,1,0]=4 9305 B13R1.9 COCCCSc1ccc(cc1)Cl 62a_100000709357_100000755918 [0,2,0,0,0,0|0,1,0]=3 9306 B13R1.9 COCCCSc1ccc(cc1)Cl 62a_100000755918_100000709357 [0,2,0,0,0,0|0,1,0]=3 9307 B13R1.9 COCCCSc1ccc(cc1)F 62a_100000211213_100000709357 [0,2,0,0,0,0|0,2,0]=4 9308 B13R1.9 COCCCSc1ccc(cc1)F 62a_100000709357_100000211213 [0,2,0,0,0,0|0,2,0]=4 9309 B13R1.9 COCCCSc1ccc(cc1)N 62a_100000185761_100000709357 [0,2,0,0,0,0|1,1,0]=4 9310 B13R1.9 COCCCSc1ccc(cc1)N 62a_100000709357_100000185761 [0,2,0,0,0,0|1,1,0]=4 9311 B13R1.9 COCCCSc1ccc(cc1)O 62a_100000709357_100000185759 [0,2,0,0,0,0|1,1,0]=4 9312 B13R1.9 COCCCSc1ccc(cn1)Cl 62a_100000709357_100011356976 [0,2,0,0,0,0|1,1,0]=4 9313 B13R1.9 COCCCSc1ccc(cn1)Cl 62a_100011356976_100000709357 [0,2,0,0,0,0|1,1,0]=4 9314 B13R1.9 COCCCSc1ccc(nc1)Cl 62a_100000034144_100000709357 [0,2,0,0,0,0|1,1,0]=4 9315 B13R1.9 COCCCSc1ccc(nc1)Cl 62a_100000709357_100000034144 [0,2,0,0,0,0|1,1,0]=4 9316 B13R1.9 COCCNCc1ccc(cc1)Br 207a_100000209980_100000186029 [0,2,0,0,0,0|1,1,0]=4 9317 B13R1.9 COCCNCc1ccc(cc1)Br 2230a_100000174875_100011201679 [0,2,0,0,0,0|1,1,0]=4 9318 B13R1.9 COCCNCc1ccc(cc1)Br 2230a_100000209980_100011217064 [0,2,0,0,0,0|1,1,0]=4 9319 B13R1.9 COCCNCc1ccc(cc1)Br 270004a_100000209980_100000186029 [0,2,0,0,0,0|1,1,0]=4 9320 B13R1.9 COCCNCc1ccc(cc1)Br 34a_100000174875_100011201679 [0,2,0,0,0,0|1,1,0]=4 9321 B13R1.9 COCCNCc1ccc(cc1)Br 34a_100000186819_200000210301 [0,2,0,0,0,0|1,1,0]=4 9322 B13R1.9 COCCNCc1ccc(cc1)C 207a_100000209980_100000211033 [0,2,0,0,0,0|2,0,0]=4 9323 B13R1.9 COCCNCc1ccc(cc1)C 2230a_100000174908_100011201679 [0,2,0,0,0,0|2,0,0]=4 9324 B13R1.9 COCCNCc1ccc(cc1)C 2230a_100000209980_100000210814 [0,2,0,0,0,0|2,0,0]=4 9325 B13R1.9 COCCNCc1ccc(cc1)C 270004a_100000209980_100000211033 [0,2,0,0,0,0|2,0,0]=4 9326 B13R1.9 COCCNCc1ccc(cc1)C 34a_100000174908_100011201679 [0,2,0,0,0,0|2,0,0]=4 9327 B13R1.9 COCCNCc1ccc(cc1)C 34a_100000186992_200000210301 [0,2,0,0,0,0|2,0,0]=4 9328 B13R1.9 COCCNCc1ccc(cc1)Cl 207a_100000209980_100000189385 [0,2,0,0,0,0|1,0,0]=3 9329 B13R1.9 COCCNCc1ccc(cc1)Cl 2230a_100000174871_100011201679 [0,2,0,0,0,0|1,0,0]=3 9330 B13R1.9 COCCNCc1ccc(cc1)Cl 2230a_100000209980_100000694040 [0,2,0,0,0,0|1,0,0]=3 9331 B13R1.9 COCCNCc1ccc(cc1)Cl 270004a_100000209980_100000189385 [0,2,0,0,0,0|1,0,0]=3 9332 B13R1.9 COCCNCc1ccc(cc1)Cl 34a_100000174871_100011201679 [0,2,0,0,0,0|1,0,0]=3 9333 B13R1.9 COCCNCc1ccc(cc1)F 207a_100000209980_100000210084 [0,2,0,0,0,0|1,1,0]=4 9334 B13R1.9 COCCNCc1ccc(cc1)F 2230a_100000174882_100011201679 [0,2,0,0,0,0|1,1,0]=4 9335 B13R1.9 COCCNCc1ccc(cc1)F 2230a_100000209980_100000198546 [0,2,0,0,0,0|1,1,0]=4 9336 B13R1.9 COCCNCc1ccc(cc1)F 270004a_100000209980_100000210084 [0,2,0,0,0,0|1,1,0]=4 9337 B13R1.9 COCCNCc1ccc(cc1)F 34a_100000174882_100011201679 [0,2,0,0,0,0|1,1,0]=4 9338 B13R1.9 COCCNCc1ccc(cc1)F 34a_100015183715_200000210301 [0,2,0,0,0,0|1,1,0]=4 9339 B13R1.9 COCCNCc1ccc(cc1)I 207a_100000209980_100000188517 [0,2,0,0,0,0|1,1,0]=4 9340 B13R1.9 COCCNCc1ccc(cc1)I 2230a_100000209980_100000189116 [0,2,0,0,0,0|1,1,0]=4 9341 B13R1.9 COCCNCc1ccc(cc1)I 2230a_100016989417_100011201679 [0,2,0,0,0,0|1,1,0]=4 9342 B13R1.9 COCCNCc1ccc(cc1)I 34a_100016989417_100011201679 [0,2,0,0,0,0|1,1,0]=4 9343 B13R1.9 COCCNCc1ccc(cc1)O 271570a_203496583355_100015187160 [0,2,0,0,0,0|2,0,0]=4 9344 B13R1.9 COCCNCc1ccc(cc1)O 34a_100000185549_100011201679 [0,2,0,0,0,0|2,0,0]=4 9345 B13R1.9 COCCNCc1ccc(cn1)Cl 207a_100000209980_100011361569 [0,2,0,0,0,0|2,0,0]=4 9346 B13R1.9 COCCNCc1ccc(cn1)Cl 2230a_100000209980_100012066911 [0,2,0,0,0,0|2,0,0]=4 9347 B13R1.9 COCCNCc1ccc(cn1)Cl 270004a_100000209980_100011361569 [0,2,0,0,0,0|2,0,0]=4 9348 B13R1.9 COCCNCc1ccc(cn1)Cl 34a_100000697193_100011201679 [0,2,0,0,0,0|2,0,0]=4 9349 B13R1.9 COCCNCc1ccc(nc1)Cl 2230a_100000209980_100000735431 [0,2,0,0,0,0|2,0,0]=4 9350 B13R1.9 COCCNCc1ccc(nc1)Cl 2230a_100000735879_100011201679 [0,2,0,0,0,0|2,0,0]=4 9351 B13R1.9 COCCNCc1ccc(nc1)Cl 34a_100000735879_100011201679 [0,2,0,0,0,0|2,0,0]=4 9352 B13R1.9 COCCOCc1cc[n+](cc1)C 34a_100009831711_100011201679 [0,2,0,0,0,0|2,0,0]=4 9353 B13R1.9 COCCOCc1cc[n+](cc1)[O-] 34a_100000031831_100011201679 [0,2,0,0,0,0|2,0,0]=4 9354 B13R1.9 COCCOCc1cc[n+](cc1)[O-] 7a_100000031831_100000233755 [0,2,0,0,0,0|2,0,0]=4 9355 B13R1.9 COCCOCc1ccc(=O)[nH]c1 34a_100011999846_100011201679 [0,2,0,0,0,0|2,0,0]=4 9356 B13R1.9 COCCOCc1ccc(cc1)Br 34a_100000210237_100000189115 [0,2,0,0,0,0|0,1,0]=3 9357 B13R1.9 COCCOCc1ccc(cc1)Br 34a_100000695286_100011201679 [0,2,0,0,0,0|0,1,0]=3 9358 B13R1.9 COCCOCc1ccc(cc1)C 34a_100000210237_100000210814 [0,2,0,0,0,0|1,0,0]=3 9359 B13R1.9 COCCOCc1ccc(cc1)C 34a_100011215236_100011201679 [0,2,0,0,0,0|1,0,0]=3 9360 B13R1.9 COCCOCc1ccc(cc1)C 7a_100011215236_100000233755 [0,2,0,0,0,0|1,0,0]=3 9361 B13R1.9 COCCOCc1ccc(cc1)Cl 34a_100000210237_100000694040 [0,2,0,0,0,0|0,0,0]=2 9362 B13R1.9 COCCOCc1ccc(cc1)Cl 34a_100000211118_100011201679 [0,2,0,0,0,0|0,0,0]=2 9363 B13R1.9 COCCOCc1ccc(cc1)Cl 7a_100000211118_100000233755 [0,2,0,0,0,0|0,0,0]=2 9364 B13R1.9 COCCOCc1ccc(cc1)F 34a_100000210237_100000198546 [0,2,0,0,0,0|0,1,0]=3 9365 B13R1.9 COCCOCc1ccc(cc1)F 34a_100000210977_100011201679 [0,2,0,0,0,0|0,1,0]=3 9366 B13R1.9 COCCOCc1ccc(cc1)F 7a_100000210977_100000233755 [0,2,0,0,0,0|0,1,0]=3 9367 B13R1.9 COCCOCc1ccc(cc1)I 34a_100000210237_100000189116 [0,2,0,0,0,0|0,1,0]=3 9368 B13R1.9 COCCOCc1ccc(cc1)I 34a_100000690907_100011201679 [0,2,0,0,0,0|0,1,0]=3 9369 B13R1.9 COCCOCc1ccc(cc1)I 7a_100000690907_100000233755 [0,2,0,0,0,0|0,1,0]=3 9370 B13R1.9 COCCOCc1ccc(cc1)N 34a_100011215238_100011201679 [0,2,0,0,0,0|1,0,0]=3 9371 B13R1.9 COCCOCc1ccc(cc1)O 271570a_203496583355_100000755069 [0,2,0,0,0,0|1,0,0]=3 9372 B13R1.9 COCCOCc1ccc(cn1)Br 34a_100000210237_100000702658 [0,2,0,0,0,0|1,1,0]=4 9373 B13R1.9 COCCOCc1ccc(cn1)Br 34a_100000754261_100011201679 [0,2,0,0,0,0|1,1,0]=4 9374 B13R1.9 COCCOCc1ccc(cn1)C 34a_100000210237_100000691093 [0,2,0,0,0,0|2,0,0]=4 9375 B13R1.9 COCCOCc1ccc(cn1)C 34a_100012001401_100011201679 [0,2,0,0,0,0|2,0,0]=4 9376 B13R1.9 COCCOCc1ccc(cn1)Cl 34a_100000210237_100012066911 [0,2,0,0,0,0|1,0,0]=3 9377 B13R1.9 COCCOCc1ccc(cn1)Cl 34a_100000703999_100011201679 [0,2,0,0,0,0|1,0,0]=3 9378 B13R1.9 COCCOCc1ccc(cn1)F 34a_100000210237_100000703193 [0,2,0,0,0,0|1,1,0]=4 9379 B13R1.9 COCCOCc1ccc(cn1)F 34a_100011999454_100011201679 [0,2,0,0,0,0|1,1,0]=4 9380 B13R1.9 COCCOCc1ccc(cn1)N 34a_100011998161_100011201679 [0,2,0,0,0,0|2,0,0]=4 9381 B13R1.9 COCCOCc1ccc(nc1)Br 34a_100000210237_100009831999 [0,2,0,0,0,0|1,1,0]=4 9382 B13R1.9 COCCOCc1ccc(nc1)Br 34a_100009816760_100011201679 [0,2,0,0,0,0|1,1,0]=4 9383 B13R1.9 COCCOCc1ccc(nc1)Br 7a_100009816760_100000233755 [0,2,0,0,0,0|1,1,0]=4 9384 B13R1.9 COCCOCc1ccc(nc1)C 34a_100000210237_100016987292 [0,2,0,0,0,0|2,0,0]=4 9385 B13R1.9 COCCOCc1ccc(nc1)C 34a_100011248133_100011201679 [0,2,0,0,0,0|2,0,0]=4 9386 B13R1.9 COCCOCc1ccc(nc1)Cl 34a_100000210237_100000735431 [0,2,0,0,0,0|1,0,0]=3 9387 B13R1.9 COCCOCc1ccc(nc1)Cl 34a_100000755211_100011201679 [0,2,0,0,0,0|1,0,0]=3 9388 B13R1.9 COCCOCc1ccc(nc1)Cl 7a_100000755211_100000233755 [0,2,0,0,0,0|1,0,0]=3 9389 B13R1.9 COCCOCc1ccc(nc1)F 34a_100000079959_100011201679 [0,2,0,0,0,0|1,1,0]=4 9390 B13R1.9 COCCOCc1ccc(nc1)F 34a_100000210237_100000099788 [0,2,0,0,0,0|1,1,0]=4 9391 B13R1.9 COCCOCc1ccc(nc1)N 34a_100000704267_100011201679 [0,2,0,0,0,0|2,0,0]=4 9392 B13R1.9 COCCOCc1ccc(nn1)Cl 34a_100000210237_100016992710 [0,2,0,0,0,0|2,0,0]=4 9393 B13R1.9 COCCOCc1cnc(cn1)Cl 34a_100012002382_100011201679 [0,2,0,0,0,0|2,0,0]=4 9394 B13R1.9 COCCOCc1cnc(nc1)Cl 34a_100009855073_100011201679 [0,2,0,0,0,0|2,0,0]=4 9395 B13R1.9 COCCOCc1cnc(nc1)Cl 7a_100009855073_100000233755 [0,2,0,0,0,0|2,0,0]=4 9396 B13R1.9 COCCSCc1ccc(cc1)Br 62a_100000189115_100000233755 [0,2,0,0,0,0|0,2,0]=4 9397 B13R1.9 COCCSCc1ccc(cc1)Br 62a_100000233755_100000189115 [0,2,0,0,0,0|0,2,0]=4 9398 B13R1.9 COCCSCc1ccc(cc1)C 34a_100011212911_200000210301 [0,2,0,0,0,0|1,1,0]=4 9399 B13R1.9 COCCSCc1ccc(cc1)C 62a_100000210814_100000233755 [0,2,0,0,0,0|1,1,0]=4 9400 B13R1.9 COCCSCc1ccc(cc1)C 62a_100000233755_100000210814 [0,2,0,0,0,0|1,1,0]=4 9401 B13R1.9 COCCSCc1ccc(cc1)C 7a_100011212911_200000210301 [0,2,0,0,0,0|1,1,0]=4 9402 B13R1.9 COCCSCc1ccc(cc1)Cl 34a_200000186141_200000210301 [0,2,0,0,0,0|0,1,0]=3 9403 B13R1.9 COCCSCc1ccc(cc1)Cl 62a_100000187161_100000233755 [0,2,0,0,0,0|0,1,0]=3 9404 B13R1.9 COCCSCc1ccc(cc1)Cl 62a_100000233755_100000187161 [0,2,0,0,0,0|0,1,0]=3 9405 B13R1.9 COCCSCc1ccc(cc1)Cl 7a_200000186141_200000210301 [0,2,0,0,0,0|0,1,0]=3 9406 B13R1.9 COCCSCc1ccc(cc1)F 62a_100000198546_100000233755 [0,2,0,0,0,0|0,2,0]=4 9407 B13R1.9 COCCSCc1ccc(cc1)F 62a_100000233755_100000187164 [0,2,0,0,0,0|0,2,0]=4 9408 B13R1.9 COCCSCc1ccc(cc1)I 62a_100000189116_100000233755 [0,2,0,0,0,0|0,2,0]=4 9409 B13R1.9 COCCSCc1ccc(cc1)I 62a_100000233755_100000189116 [0,2,0,0,0,0|0,2,0]=4 9410 B13R1.9 COCCSCc1ccc(cn1)Cl 62a_100000233755_100000697101 [0,2,0,0,0,0|1,1,0]=4 9411 B13R1.9 COCCSCc1ccc(cn1)Cl 62a_100012066911_100000233755 [0,2,0,0,0,0|1,1,0]=4 9412 B13R1.9 COCCSCc1ccc(nc1)Cl 62a_100000233755_100000735431 [0,2,0,0,0,0|1,1,0]=4 9413 B13R1.9 COCCSCc1ccc(nc1)Cl 62a_100000735431_100000233755 [0,2,0,0,0,0|1,1,0]=4 9414 B13R1.9 COCNCCc1ccc(cc1)Br 2230a_100000755846_100000766300 [0,2,0,0,0,0|1,1,0]=4 9415 B13R1.9 COCNCCc1ccc(cc1)C 2230a_100000705350_100000766300 [0,2,0,0,0,0|2,0,0]=4 9416 B13R1.9 COCNCCc1ccc(cc1)Cl 2230a_100000185265_100000766300 [0,2,0,0,0,0|1,0,0]=3 9417 B13R1.9 COCNCCc1ccc(cc1)F 2230a_100000199005_100000766300 [0,2,0,0,0,0|1,1,0]=4 9418 B13R1.9 COCSCCc1ccc(cc1)Br 62a_100000766300_100011740612 [0,2,0,0,0,0|1,1,0]=4 9419 B13R1.9 COCSCCc1ccc(cc1)Br 62a_100011740612_100000766300 [0,2,0,0,0,0|1,1,0]=4 9420 B13R1.9 COCSCCc1ccc(cc1)C 62a_100000766300_100011713686 [0,2,0,0,0,0|2,0,0]=4 9421 B13R1.9 COCSCCc1ccc(cc1)C 62a_100011713686_100000766300 [0,2,0,0,0,0|2,0,0]=4 9422 B13R1.9 COCSCCc1ccc(cc1)Cl 62a_100000766300_100011713675 [0,2,0,0,0,0|1,0,0]=3 9423 B13R1.9 COCSCCc1ccc(cc1)Cl 62a_100011713675_100000766300 [0,2,0,0,0,0|1,0,0]=3 9424 B13R1.9 COCSCCc1ccc(cc1)F 62a_100000766300_100011217392 [0,2,0,0,0,0|1,1,0]=4 9425 B13R1.9 COCSCCc1ccc(cc1)F 62a_100011217392_100000766300 [0,2,0,0,0,0|1,1,0]=4 9426 B13R1.9 COCSCCc1ccc(cc1)O 62a_100000766300_100009816426 [0,2,0,0,0,0|2,0,0]=4 9427 B13R1.9 COCSCCc1ccc(cc1)O 62a_100009816426_100000766300 [0,2,0,0,0,0|2,0,0]=4 9428 B13R1.9 CSCCCOc1ccc(cc1)Br 62a_100011259224_200000210301 [0,2,0,0,0,0|0,2,0]=4 9429 B13R1.9 CSCCCOc1ccc(cc1)Br 62a_200000210301_100011259224 [0,2,0,0,0,0|0,2,0]=4 9430 B13R1.9 CSCCCOc1ccc(cc1)F 62a_100000181347_200000210301 [0,2,0,0,0,0|0,2,0]=4 9431 B13R1.9 CSCCCOc1ccc(cc1)F 62a_200000210301_100000181347 [0,2,0,0,0,0|0,2,0]=4 9432 B13R1.9 CSCCNCc1ccc(cc1)Cl 207a_100020590264_100000189385 [0,2,0,0,0,0|1,1,0]=4 9433 B13R1.9 CSCCNCc1ccc(cc1)Cl 2230a_100000174871_100000751147 [0,2,0,0,0,0|1,1,0]=4 9434 B13R1.9 CSCCNCc1ccc(cc1)Cl 2230a_100020590264_100000694040 [0,2,0,0,0,0|1,1,0]=4 9435 B13R1.9 CSCCNCc1ccc(cc1)Cl 270004a_100020590264_100000189385 [0,2,0,0,0,0|1,1,0]=4 9436 B13R1.9 CSCCNCc1ccc(cc1)Cl 34a_100000174871_100000212216 [0,2,0,0,0,0|1,1,0]=4 9437 B13R1.9 CSCCOCc1ccc(cc1)Br 34a_100000230434_100000189115 [0,2,0,0,0,0|0,2,0]=4 9438 B13R1.9 CSCCOCc1ccc(cc1)Br 34a_100000695286_100000212216 [0,2,0,0,0,0|0,2,0]=4 9439 B13R1.9 CSCCOCc1ccc(cc1)Br 7a_100000230434_100011217064 [0,2,0,0,0,0|0,2,0]=4 9440 B13R1.9 CSCCOCc1ccc(cc1)C 34a_100000230434_100000210814 [0,2,0,0,0,0|1,1,0]=4 9441 B13R1.9 CSCCOCc1ccc(cc1)C 34a_100011215236_100000212216 [0,2,0,0,0,0|1,1,0]=4 9442 B13R1.9 CSCCOCc1ccc(cc1)C 7a_100000230434_100000210814 [0,2,0,0,0,0|1,1,0]=4 9443 B13R1.9 CSCCOCc1ccc(cc1)C 7a_100011215236_100000212216 [0,2,0,0,0,0|1,1,0]=4 9444 B13R1.9 CSCCOCc1ccc(cc1)Cl 34a_100000211118_100000212216 [0,2,0,0,0,0|0,1,0]=3 9445 B13R1.9 CSCCOCc1ccc(cc1)Cl 34a_100000230434_100000694040 [0,2,0,0,0,0|0,1,0]=3 9446 B13R1.9 CSCCOCc1ccc(cc1)Cl 7a_100000211118_100000212216 [0,2,0,0,0,0|0,1,0]=3 9447 B13R1.9 CSCCOCc1ccc(cc1)Cl 7a_100000230434_100000187161 [0,2,0,0,0,0|0,1,0]=3 9448 B13R1.9 CSCCOCc1ccc(cc1)F 34a_100000210977_100000212216 [0,2,0,0,0,0|0,2,0]=4 9449 B13R1.9 CSCCOCc1ccc(cc1)F 34a_100000230434_100000198546 [0,2,0,0,0,0|0,2,0]=4 9450 B13R1.9 CSCCOCc1ccc(cc1)F 7a_100000210977_100000212216 [0,2,0,0,0,0|0,2,0]=4 9451 B13R1.9 CSCCOCc1ccc(cc1)F 7a_100000230434_100000198546 [0,2,0,0,0,0|0,2,0]=4 9452 B13R1.9 CSCCOCc1ccc(cc1)I 34a_100000230434_100000189116 [0,2,0,0,0,0|0,2,0]=4 9453 B13R1.9 CSCCOCc1ccc(cc1)I 34a_100000690907_100000212216 [0,2,0,0,0,0|0,2,0]=4 9454 B13R1.9 CSCCOCc1ccc(cc1)I 7a_100000230434_100000189116 [0,2,0,0,0,0|0,2,0]=4 9455 B13R1.9 CSCCOCc1ccc(cc1)I 7a_100000690907_100000212216 [0,2,0,0,0,0|0,2,0]=4 9456 B13R1.9 CSCCOCc1ccc(cc1)N 34a_100011215238_100000212216 [0,2,0,0,0,0|1,1,0]=4 9457 B13R1.9 CSCCOCc1ccc(cn1)Cl 34a_100000230434_100012066911 [0,2,0,0,0,0|1,1,0]=4 9458 B13R1.9 CSCCOCc1ccc(cn1)Cl 34a_100000703999_100000212216 [0,2,0,0,0,0|1,1,0]=4 9459 B13R1.9 CSCCOCc1ccc(cn1)Cl 7a_100000230434_100012066911 [0,2,0,0,0,0|1,1,0]=4 9460 B13R1.9 CSCCOCc1ccc(nc1)Cl 34a_100000230434_100000735431 [0,2,0,0,0,0|1,1,0]=4 9461 B13R1.9 CSCCOCc1ccc(nc1)Cl 34a_100000755211_100000212216 [0,2,0,0,0,0|1,1,0]=4 9462 B13R1.9 CSCCOCc1ccc(nc1)Cl 7a_100000230434_100000735431 [0,2,0,0,0,0|1,1,0]=4 9463 B13R1.9 CSCCOCc1ccc(nc1)Cl 7a_100000755211_100000212216 [0,2,0,0,0,0|1,1,0]=4 9464 B13R1.9 CSCCSCc1ccc(cc1)Cl 62a_100000187161_100000751147 [0,2,0,0,0,0|0,2,0]=4 9465 B13R1.9 CSCCSCc1ccc(cc1)Cl 62a_100000212216_100000187161 [0,2,0,0,0,0|0,2,0]=4 9466 B13R1.9 CSCNCCc1ccc(cc1)Cl 2230a_100000185265_100011218213 [0,2,0,0,0,0|1,1,0]=4 9467 B13R1.9 CSCNCCc1ccc(cc1)Cl 34a_100000185265_100011218213 [0,2,0,0,0,0|1,1,0]=4 9468 B13R1.9 CSCOCCc1ccc(cc1)Cl 34a_100011219627_100011218213 [0,2,0,0,0,0|1,1,0]=4 9469 B13R1.9 CSCSCCc1ccc(cc1)Cl 62a_100011218213_100011713675 [0,2,0,0,0,0|1,1,0]=4 9470 B13R1.9 CSCSCCc1ccc(cc1)Cl 62a_100011713675_100011218213 [0,2,0,0,0,0|1,1,0]=4 9471 B13R1.9 C[n+]1ccc(cc1)COCCCO 34a_100009831711_100000230001 [0,2,0,0,0,0|2,0,0]=4 9472 B13R1.9 Cc1ccc(cc1)C=NNCCO 4a_100000210001_100000211033 [0,2,0,0,0,0|2,0,0]=4 9473 B13R1.9 Cc1ccc(cc1)CCCOCF 34a_100000189427_100015361967 [0,2,0,0,0,0|2,0,0]=4 9474 B13R1.9 Cc1ccc(cc1)CCCOCF 7a_100000189427_100015361967 [0,2,0,0,0,0|2,0,0]=4 9475 B13R1.9 Cc1ccc(cc1)CCNCCO 2230a_100000705350_100000211926 [0,2,0,0,0,0|2,0,0]=4 9476 B13R1.9 Cc1ccc(cc1)CCNCCO 2230a_100016997473_100011713686 [0,2,0,0,0,0|2,0,0]=4 9477 B13R1.9 Cc1ccc(cc1)CCNCCO 34a_100000705350_100000211926 [0,2,0,0,0,0|2,0,0]=4 9478 B13R1.9 Cc1ccc(cc1)CCNCCO 34a_100016990907_100011713686 [0,2,0,0,0,0|2,0,0]=4 9479 B13R1.9 Cc1ccc(cc1)CCOCCBr 34a_100000211926_100011713686 [0,2,0,0,0,0|2,0,0]=4 9480 B13R1.9 Cc1ccc(cc1)CCOCCF 34a_100000756670_100011217306 [0,2,0,0,0,0|2,0,0]=4 9481 B13R1.9 Cc1ccc(cc1)CCOCCF 7a_100000756670_100011217306 [0,2,0,0,0,0|2,0,0]=4 9482 B13R1.9 Cc1ccc(cc1)CCOCCN 34a_100000210304_100011713686 [0,2,0,0,0,0|2,0,0]=4 9483 B13R1.9 Cc1ccc(cc1)CCOCCO 34a_100000756670_100000211926 [0,2,0,0,0,0|1,0,0]=3 9484 B13R1.9 Cc1ccc(cc1)CCOCCO 7a_100000756670_100000211926 [0,2,0,0,0,0|1,0,0]=3 9485 B13R1.9 Cc1ccc(cc1)CCSCCO 62a_100000211926_100011713686 [0,2,0,0,0,0|1,1,0]=4 9486 B13R1.9 Cc1ccc(cc1)CCSCCO 62a_100011713686_100000211926 [0,2,0,0,0,0|1,1,0]=4 9487 B13R1.9 Cc1ccc(cc1)CNCCCO 207a_100000182051_100000211033 [0,2,0,0,0,0|2,0,0]=4 9488 B13R1.9 Cc1ccc(cc1)CNCCCO 2230a_100000174908_100000230001 [0,2,0,0,0,0|2,0,0]=4 9489 B13R1.9 Cc1ccc(cc1)CNCCCO 270004a_100000182051_100000211033 [0,2,0,0,0,0|2,0,0]=4 9490 B13R1.9 Cc1ccc(cc1)CNCCCO 34a_100000174908_100000230001 [0,2,0,0,0,0|2,0,0]=4 9491 B13R1.9 Cc1ccc(cc1)CNCCO[13CH3] 34a_100000186992_200025704644 [0,2,0,0,0,0|2,0,0]=4 9492 B13R1.9 Cc1ccc(cc1)COCCC#N 7a_100011215236_100000184422 [0,2,0,0,0,0|2,0,0]=4 9493 B13R1.9 Cc1ccc(cc1)COCCCBr 34a_100011217188_100000210814 [0,2,0,0,0,0|2,0,0]=4 9494 B13R1.9 Cc1ccc(cc1)COCCCCl 34a_100000230001_100000210814 [0,2,0,0,0,0|2,0,0]=4 9495 B13R1.9 Cc1ccc(cc1)COCCCF 34a_100000759539_100000210814 [0,2,0,0,0,0|2,0,0]=4 9496 B13R1.9 Cc1ccc(cc1)COCCCF 34a_100011215236_100011934791 [0,2,0,0,0,0|2,0,0]=4 9497 B13R1.9 Cc1ccc(cc1)COCCCF 7a_100011215236_100011934791 [0,2,0,0,0,0|2,0,0]=4 9498 B13R1.9 Cc1ccc(cc1)COCCCN 34a_100000182051_100000210814 [0,2,0,0,0,0|2,0,0]=4 9499 B13R1.9 Cc1ccc(cc1)COCCCO 34a_100011215236_100000230001 [0,2,0,0,0,0|1,0,0]=3 9500 B13R1.9 Cc1ccc(cc1)COCCCO 7a_100011215236_100011215043 [0,2,0,0,0,0|1,0,0]=3 9501 B13R1.9 Cc1ccc(cc1)COCCON 34a_100000700252_100000210814 [0,2,0,0,0,0|1,0,0]=3 9502 B13R1.9 Cc1ccc(cc1)CSCCCO 62a_100000210814_100011215043 [0,2,0,0,0,0|1,1,0]=4 9503 B13R1.9 Cc1ccc(cc1)CSCCCO 62a_100011215043_100000210814 [0,2,0,0,0,0|1,1,0]=4 9504 B13R1.9 Cc1ccc(cc1)CSCCO[13CH3] 34a_100011212911_200025704644 [0,2,0,0,0,0|1,1,0]=4 9505 B13R1.9 Cc1ccc(cc1)CSCCO[13CH3] 7a_100011212911_200025704644 [0,2,0,0,0,0|1,1,0]=4 9506 B13R1.9 Cc1ccc(cc1)NCC#CCO 34a_100000124888_200000047223 [0,2,0,0,0,0|2,0,0]=4 9507 B13R1.9 Cc1ccc(cc1)NCCCCO 34a_100000124888_100011216708 [0,2,0,0,0,0|2,0,0]=4 9508 B13R1.9 Cc1ccc(cc1)OCC#CCO 34a_100000210336_200000047223 [0,2,0,0,0,0|1,0,0]=3 9509 B13R1.9 Cc1ccc(cc1)OCC#CCO 7a_100000210336_200000047223 [0,2,0,0,0,0|1,0,0]=3 9510 B13R1.9 Cc1ccc(cc1)OCCCC#N 7a_100000210336_100000687738 [0,2,0,0,0,0|2,0,0]=4 9511 B13R1.9 Cc1ccc(cc1)OCCCC=O 7a_100000210336_200011292268 [0,2,0,0,0,0|1,0,1]=4 9512 B13R1.9 Cc1ccc(cc1)OCCCCF 34a_100000210336_100000729493 [0,2,0,0,0,0|2,0,0]=4 9513 B13R1.9 Cc1ccc(cc1)OCCCCF 7a_100000210336_100000729493 [0,2,0,0,0,0|2,0,0]=4 9514 B13R1.9 Cc1ccc(cc1)OCCCCO 34a_100000210336_100011216708 [0,2,0,0,0,0|1,0,0]=3 9515 B13R1.9 Cc1ccc(cc1)OCCCCO 7a_100000210336_100000210776 [0,2,0,0,0,0|1,0,0]=3 9516 B13R1.9 Cc1ccc(cc1)OCCCN[13CH3] 34a_100000747266_200025704644 [0,2,0,0,0,0|2,0,0]=4 9517 B13R1.9 Cc1ccc(cc1)OCCNCF 34a_100020666663_100015361967 [0,2,0,0,0,0|2,0,0]=4 9518 B13R1.9 Cc1ccc(cc1)OCCOCF 34a_100011219107_100015361967 [0,2,0,0,0,0|1,0,0]=3 9519 B13R1.9 Cc1ccc(cc1)OCCOCF 7a_100011219107_100015361967 [0,2,0,0,0,0|1,0,0]=3 9520 B13R1.9 Cc1ccc(cc1)OCCSCF 62a_100000183172_100015361967 [0,2,0,0,0,0|1,1,0]=4 9521 B13R1.9 Cc1ccc(cc1)OCCSCF 62a_100015361967_100000183172 [0,2,0,0,0,0|1,1,0]=4 9522 B13R1.9 Cc1ccc(cc1)SCC#CCO 62a_100000186775_200000047223 [0,2,0,0,0,0|1,1,0]=4 9523 B13R1.9 Cc1ccc(cc1)SCC#CCO 62a_200000047223_100000186775 [0,2,0,0,0,0|1,1,0]=4 9524 B13R1.9 Cc1ccc(cc1)SCCCCO 62a_100000186775_100000210776 [0,2,0,0,0,0|1,1,0]=4 9525 B13R1.9 Cc1ccc(cc1)SCCCCO 62a_100000210776_100000186775 [0,2,0,0,0,0|1,1,0]=4 9526 B13R1.9 Cc1ccc(cc1)SCCOCF 34a_200000230582_100015361967 [0,2,0,0,0,0|1,1,0]=4 9527 B13R1.9 Cc1ccc(cc1)SCCOCF 7a_200000230582_100015361967 [0,2,0,0,0,0|1,1,0]=4 9528 B13R1.9 Cc1ccc(cn1)CCOCCO 34a_100011815783_100000211926 [0,2,0,0,0,0|2,0,0]=4 9529 B13R1.9 Cc1ccc(cn1)COCCCO 34a_100011248133_100000230001 [0,2,0,0,0,0|2,0,0]=4 9530 B13R1.9 Cc1ccc(cn1)COCCON 34a_100000700252_100016987292 [0,2,0,0,0,0|2,0,0]=4 9531 B13R1.9 Cc1ccc(cn1)OCC#CCO 34a_100000745506_200000047223 [0,2,0,0,0,0|2,0,0]=4 9532 B13R1.9 Cc1ccc(cn1)OCC#CCO 7a_100000745506_200000047223 [0,2,0,0,0,0|2,0,0]=4 9533 B13R1.9 Cc1ccc(cn1)OCCCCO 34a_100000745506_100011216708 [0,2,0,0,0,0|2,0,0]=4 9534 B13R1.9 Cc1ccc(cn1)OCCCCO 7a_100000745506_100000210776 [0,2,0,0,0,0|2,0,0]=4 9535 B13R1.9 Cc1ccc(nc1)COCCCO 34a_100012001401_100000230001 [0,2,0,0,0,0|2,0,0]=4 9536 B13R1.9 Cc1ccc(nc1)COCCON 34a_100000700252_100000691093 [0,2,0,0,0,0|2,0,0]=4 9537 B13R1.9 Cc1ccc(nc1)OCC#CCO 34a_100000759353_200000047223 [0,2,0,0,0,0|2,0,0]=4 9538 B13R1.9 Cc1ccc(nc1)OCCCCO 34a_100000759353_100011216708 [0,2,0,0,0,0|2,0,0]=4 9539 B13R1.9 ClCCCOCc1ccc(cc1)Br 34a_100000230001_100000189115 [0,2,0,0,0,0|1,1,0]=4 9540 B13R1.9 ClCCCOCc1ccc(cc1)Cl 34a_100000230001_100000694040 [0,2,0,0,0,0|1,0,0]=3 9541 B13R1.9 ClCCCOCc1ccc(cc1)I 34a_100000230001_100000189116 [0,2,0,0,0,0|1,1,0]=4 9542 B13R1.9 ClCCCOCc1ccc(cn1)Cl 34a_100000230001_100012066911 [0,2,0,0,0,0|2,0,0]=4 9543 B13R1.9 ClCCCOCc1ccc(nc1)Cl 34a_100000230001_100000735431 [0,2,0,0,0,0|2,0,0]=4 9544 B13R1.9 Clc1ccc(cc1)CCOCCBr 34a_100000211926_100011713675 [0,2,0,0,0,0|1,0,0]=3 9545 B13R1.9 Clc1ccc(cc1)COCCCBr 34a_100011217188_100000694040 [0,2,0,0,0,0|1,0,0]=3 9546 B13R1.9 Clc1ccc(cn1)COCCCBr 34a_100011217188_100000735431 [0,2,0,0,0,0|2,0,0]=4 9547 B13R1.9 Clc1ccc(nc1)COCCCBr 34a_100011217188_100012066911 [0,2,0,0,0,0|2,0,0]=4 9548 B13R1.9 FCCCCNc1ccc(cc1)Cl 2230a_100000210052_100000729493 [0,2,0,0,0,0|2,0,0]=4 9549 B13R1.9 FCCCCNc1ccc(cc1)Cl 34a_100000210052_100000729493 [0,2,0,0,0,0|2,0,0]=4 9550 B13R1.9 FCCCCOc1ccc(cc1)Br 34a_100000185759_100000729493 [0,2,0,0,0,0|1,1,0]=4 9551 B13R1.9 FCCCCOc1ccc(cc1)Br 7a_100000185759_100000729493 [0,2,0,0,0,0|1,1,0]=4 9552 B13R1.9 FCCCCOc1ccc(cc1)Cl 34a_100000210216_100000729493 [0,2,0,0,0,0|1,0,0]=3 9553 B13R1.9 FCCCCOc1ccc(cc1)Cl 7a_100000210216_100000729493 [0,2,0,0,0,0|1,0,0]=3 9554 B13R1.9 FCCCCOc1ccc(cc1)F 34a_100000210339_100000729493 [0,2,0,0,0,0|1,1,0]=4 9555 B13R1.9 FCCCCOc1ccc(cc1)I 34a_100000212066_100000729493 [0,2,0,0,0,0|1,1,0]=4 9556 B13R1.9 FCCCCOc1ccc(cc1)I 7a_100000212066_100000729493 [0,2,0,0,0,0|1,1,0]=4 9557 B13R1.9 FCCCCOc1ccc(cn1)Cl 34a_100011215309_100000729493 [0,2,0,0,0,0|2,0,0]=4 9558 B13R1.9 FCCCCOc1ccc(nc1)Cl 34a_100000744096_100000729493 [0,2,0,0,0,0|2,0,0]=4 9559 B13R1.9 FCCCCOc1ccc(nc1)Cl 7a_100000744096_100000729493 [0,2,0,0,0,0|2,0,0]=4 9560 B13R1.9 FCCCCSc1ccc(cc1)Cl 62a_100000729493_100000755918 [0,2,0,0,0,0|1,1,0]=4 9561 B13R1.9 FCCCCSc1ccc(cc1)Cl 62a_100000755918_100000729493 [0,2,0,0,0,0|1,1,0]=4 9562 B13R1.9 FCCCNCc1ccc(cc1)Cl 207a_100015189416_100000189385 [0,2,0,0,0,0|2,0,0]=4 9563 B13R1.9 FCCCNCc1ccc(cc1)Cl 2230a_100000174871_100011934791 [0,2,0,0,0,0|2,0,0]=4 9564 B13R1.9 FCCCNCc1ccc(cc1)Cl 2230a_100015189416_100000694040 [0,2,0,0,0,0|2,0,0]=4 9565 B13R1.9 FCCCNCc1ccc(cc1)Cl 270004a_100015189416_100000189385 [0,2,0,0,0,0|2,0,0]=4 9566 B13R1.9 FCCCNCc1ccc(cc1)Cl 34a_100000174871_100011934791 [0,2,0,0,0,0|2,0,0]=4 9567 B13R1.9 FCCCNCc1ccc(cc1)Cl 34a_100015189416_100000694040 [0,2,0,0,0,0|2,0,0]=4 9568 B13R1.9 FCCCOCc1ccc(cc1)Br 34a_100000695286_100011934791 [0,2,0,0,0,0|1,1,0]=4 9569 B13R1.9 FCCCOCc1ccc(cc1)Br 34a_100000759539_100000189115 [0,2,0,0,0,0|1,1,0]=4 9570 B13R1.9 FCCCOCc1ccc(cc1)Cl 34a_100000211118_100011934791 [0,2,0,0,0,0|1,0,0]=3 9571 B13R1.9 FCCCOCc1ccc(cc1)Cl 34a_100000759539_100000694040 [0,2,0,0,0,0|1,0,0]=3 9572 B13R1.9 FCCCOCc1ccc(cc1)Cl 7a_100000211118_100011934791 [0,2,0,0,0,0|1,0,0]=3 9573 B13R1.9 FCCCOCc1ccc(cc1)F 34a_100000210977_100011934791 [0,2,0,0,0,0|1,1,0]=4 9574 B13R1.9 FCCCOCc1ccc(cc1)F 34a_100000759539_100000198546 [0,2,0,0,0,0|1,1,0]=4 9575 B13R1.9 FCCCOCc1ccc(cc1)F 7a_100000210977_100011934791 [0,2,0,0,0,0|1,1,0]=4 9576 B13R1.9 FCCCOCc1ccc(cc1)I 34a_100000690907_100011934791 [0,2,0,0,0,0|1,1,0]=4 9577 B13R1.9 FCCCOCc1ccc(cc1)I 34a_100000759539_100000189116 [0,2,0,0,0,0|1,1,0]=4 9578 B13R1.9 FCCCOCc1ccc(cc1)I 7a_100000690907_100011934791 [0,2,0,0,0,0|1,1,0]=4 9579 B13R1.9 FCCCOCc1ccc(cn1)Cl 34a_100000703999_100011934791 [0,2,0,0,0,0|2,0,0]=4 9580 B13R1.9 FCCCOCc1ccc(cn1)Cl 34a_100000759539_100012066911 [0,2,0,0,0,0|2,0,0]=4 9581 B13R1.9 FCCCOCc1ccc(nc1)Cl 34a_100000755211_100011934791 [0,2,0,0,0,0|2,0,0]=4 9582 B13R1.9 FCCCOCc1ccc(nc1)Cl 34a_100000759539_100000735431 [0,2,0,0,0,0|2,0,0]=4 9583 B13R1.9 FCCCOCc1ccc(nc1)Cl 7a_100000755211_100011934791 [0,2,0,0,0,0|2,0,0]=4 9584 B13R1.9 FCCCSCc1ccc(cc1)Cl 62a_100000187161_100011934791 [0,2,0,0,0,0|1,1,0]=4 9585 B13R1.9 FCCCSCc1ccc(cc1)Cl 62a_100011934791_100000187161 [0,2,0,0,0,0|1,1,0]=4 9586 B13R1.9 FCCNCCc1ccc(cc1)Cl 2230a_100000185265_100011217306 [0,2,0,0,0,0|2,0,0]=4 9587 B13R1.9 FCCNCCc1ccc(cc1)Cl 34a_100000185265_100011217306 [0,2,0,0,0,0|2,0,0]=4 9588 B13R1.9 FCCNCCc1ccc(cc1)Cl 34a_100000724931_100011713675 [0,2,0,0,0,0|2,0,0]=4 9589 B13R1.9 FCCOCCc1ccc(cc1)Br 34a_100000766406_100011217306 [0,2,0,0,0,0|1,1,0]=4 9590 B13R1.9 FCCOCCc1ccc(cc1)Br 7a_100000766406_100011217306 [0,2,0,0,0,0|1,1,0]=4 9591 B13R1.9 FCCOCCc1ccc(cc1)Cl 34a_100011219627_100011217306 [0,2,0,0,0,0|1,0,0]=3 9592 B13R1.9 FCCOCCc1ccc(cc1)Cl 7a_100011219627_100011217306 [0,2,0,0,0,0|1,0,0]=3 9593 B13R1.9 FCCOCCc1ccc(cc1)F 34a_100000754732_100011217306 [0,2,0,0,0,0|1,1,0]=4 9594 B13R1.9 FCCOCCc1ccc(cc1)F 7a_100000754732_100011217306 [0,2,0,0,0,0|1,1,0]=4 9595 B13R1.9 FCCOCCc1ccc(cc1)I 34a_100012291149_100011217306 [0,2,0,0,0,0|1,1,0]=4 9596 B13R1.9 FCCOCCc1ccc(cc1)I 7a_100012291149_100011217306 [0,2,0,0,0,0|1,1,0]=4 9597 B13R1.9 FCCOCCc1ccc(nc1)Cl 34a_100009880866_100011217306 [0,2,0,0,0,0|2,0,0]=4 9598 B13R1.9 FCCOCCc1ccc(nc1)Cl 7a_100009880866_100011217306 [0,2,0,0,0,0|2,0,0]=4 9599 B13R1.9 FCCSCCc1ccc(cc1)Cl 62a_100011217306_100011713675 [0,2,0,0,0,0|1,1,0]=4 9600 B13R1.9 FCCSCCc1ccc(cc1)Cl 62a_100011713675_100011217306 [0,2,0,0,0,0|1,1,0]=4 9601 B13R1.9 FCNCC#Cc1ccc(cc1)Cl 34a_100011352944_100015361967 [0,2,0,0,0,0|2,0,0]=4 9602 B13R1.9 FCNCCCc1ccc(cc1)Cl 34a_100000748451_100015361967 [0,2,0,0,0,0|2,0,0]=4 9603 B13R1.9 FCNCCOc1ccc(cc1)Br 34a_100000746992_100015361967 [0,2,0,0,0,0|1,1,0]=4 9604 B13R1.9 FCNCCOc1ccc(cc1)Cl 34a_100000697975_100015361967 [0,2,0,0,0,0|1,0,0]=3 9605 B13R1.9 FCNCCOc1ccc(cc1)F 34a_100000737420_100015361967 [0,2,0,0,0,0|1,1,0]=4 9606 B13R1.9 FCOCCCc1ccc(cc1)Br 34a_100011709247_100015361967 [0,2,0,0,0,0|1,1,0]=4 9607 B13R1.9 FCOCCCc1ccc(cc1)Br 7a_100011709247_100015361967 [0,2,0,0,0,0|1,1,0]=4 9608 B13R1.9 FCOCCCc1ccc(cc1)Cl 34a_100011217485_100015361967 [0,2,0,0,0,0|1,0,0]=3 9609 B13R1.9 FCOCCCc1ccc(cc1)Cl 7a_100011217485_100015361967 [0,2,0,0,0,0|1,0,0]=3 9610 B13R1.9 FCOCCCc1ccc(cc1)F 34a_100000757351_100015361967 [0,2,0,0,0,0|1,1,0]=4 9611 B13R1.9 FCOCCCc1ccc(cc1)F 7a_100000757351_100015361967 [0,2,0,0,0,0|1,1,0]=4 9612 B13R1.9 FCOCCOc1ccc(cc1)Br 34a_100000686261_100015361967 [0,2,0,0,0,0|0,1,0]=3 9613 B13R1.9 FCOCCOc1ccc(cc1)Br 7a_100000686261_100015361967 [0,2,0,0,0,0|0,1,0]=3 9614 B13R1.9 FCOCCOc1ccc(cc1)Cl 34a_100000237962_100015361967 [0,2,0,0,0,0|0,0,0]=2 9615 B13R1.9 FCOCCOc1ccc(cc1)Cl 7a_100000237962_100015361967 [0,2,0,0,0,0|0,0,0]=2 9616 B13R1.9 FCOCCOc1ccc(nc1)Br 34a_200013150534_100015361967 [0,2,0,0,0,0|1,1,0]=4 9617 B13R1.9 FCOCCOc1ccc(nc1)Br 7a_200013150534_100015361967 [0,2,0,0,0,0|1,1,0]=4 9618 B13R1.9 FCOCCSc1ccc(cc1)Cl 34a_100000230527_100015361967 [0,2,0,0,0,0|0,1,0]=3 9619 B13R1.9 FCOCCSc1ccc(cc1)Cl 7a_100000230527_100015361967 [0,2,0,0,0,0|0,1,0]=3 9620 B13R1.9 FCOCCSc1ccc(cc1)F 34a_200000230679_100015361967 [0,2,0,0,0,0|0,2,0]=4 9621 B13R1.9 FCOCCSc1ccc(cc1)F 7a_200000230679_100015361967 [0,2,0,0,0,0|0,2,0]=4 9622 B13R1.9 FCSCCCc1ccc(cc1)Cl 62a_100000759440_100015361967 [0,2,0,0,0,0|1,1,0]=4 9623 B13R1.9 FCSCCCc1ccc(cc1)Cl 62a_100015361967_100000759440 [0,2,0,0,0,0|1,1,0]=4 9624 B13R1.9 FCSCCOc1ccc(cc1)Br 62a_100000183278_100015361967 [0,2,0,0,0,0|0,2,0]=4 9625 B13R1.9 FCSCCOc1ccc(cc1)Br 62a_100015361967_100000183278 [0,2,0,0,0,0|0,2,0]=4 9626 B13R1.9 FCSCCOc1ccc(cc1)Cl 62a_100000184122_100015361967 [0,2,0,0,0,0|0,1,0]=3 9627 B13R1.9 FCSCCOc1ccc(cc1)Cl 62a_100015361967_100000184122 [0,2,0,0,0,0|0,1,0]=3 9628 B13R1.9 FCSCCOc1ccc(cc1)F 62a_100000184936_100015361967 [0,2,0,0,0,0|0,2,0]=4 9629 B13R1.9 FCSCCOc1ccc(cc1)F 62a_100015361967_100000184936 [0,2,0,0,0,0|0,2,0]=4 9630 B13R1.9 Fc1ccc(cc1)CCOCCBr 34a_100000211926_100011217392 [0,2,0,0,0,0|1,1,0]=4 9631 B13R1.9 Fc1ccc(cc1)COCCCBr 34a_100011217188_100000198546 [0,2,0,0,0,0|1,1,0]=4 9632 B13R1.9 Fc1ccc(cc1)COCCCCl 34a_100000230001_100000198546 [0,2,0,0,0,0|1,1,0]=4 9633 B13R1.9 N#CCCCNc1ccc(cc1)Cl 2230a_100000210052_100000687738 [0,2,0,0,0,0|2,0,0]=4 9634 B13R1.9 N#CCCCOc1ccc(cc1)Br 7a_100000185759_100000687738 [0,2,0,0,0,0|1,1,0]=4 9635 B13R1.9 N#CCCCOc1ccc(cc1)Cl 7a_100000210216_100000687738 [0,2,0,0,0,0|1,0,0]=3 9636 B13R1.9 N#CCCCOc1ccc(cc1)I 7a_100000212066_100000687738 [0,2,0,0,0,0|1,1,0]=4 9637 B13R1.9 N#CCCCOc1ccc(nc1)Cl 7a_100000744096_100000687738 [0,2,0,0,0,0|2,0,0]=4 9638 B13R1.9 N#CCCCSc1ccc(cc1)Cl 62a_100000687738_100000755918 [0,2,0,0,0,0|1,1,0]=4 9639 B13R1.9 N#CCCCSc1ccc(cc1)Cl 62a_100000755918_100000687738 [0,2,0,0,0,0|1,1,0]=4 9640 B13R1.9 N#CCCNCc1ccc(cc1)Cl 2230a_100000174871_100011215226 [0,2,0,0,0,0|2,0,0]=4 9641 B13R1.9 N#CCCNCc1ccc(cc1)Cl 270004a_100000720768_100000189385 [0,2,0,0,0,0|2,0,0]=4 9642 B13R1.9 N#CCCOCc1ccc(cc1)Cl 7a_100000211118_100000184422 [0,2,0,0,0,0|1,0,0]=3 9643 B13R1.9 N#CCCOCc1ccc(cc1)F 7a_100000210977_100000184422 [0,2,0,0,0,0|1,1,0]=4 9644 B13R1.9 N#CCCOCc1ccc(cc1)I 7a_100000690907_100000184422 [0,2,0,0,0,0|1,1,0]=4 9645 B13R1.9 N#CCCOCc1ccc(nc1)Cl 7a_100000755211_100000184422 [0,2,0,0,0,0|2,0,0]=4 9646 B13R1.9 N#CCCSCc1ccc(cc1)Cl 62a_100000187161_100011215226 [0,2,0,0,0,0|1,1,0]=4 9647 B13R1.9 N#CCCSCc1ccc(cc1)Cl 62a_100011215226_100000187161 [0,2,0,0,0,0|1,1,0]=4 9648 B13R1.9 N#CCNCCc1ccc(cc1)Cl 2230a_100000185265_100011215382 [0,2,0,0,0,0|2,0,0]=4 9649 B13R1.9 N#CCOCCc1ccc(cc1)Cl 7a_100011219627_100011215382 [0,2,0,0,0,0|1,0,1]=4 9650 B13R1.9 N#CCSCCc1ccc(cc1)Cl 62a_100011215382_100011713675 [0,2,0,0,0,0|2,0,0]=4 9651 B13R1.9 N#CCSCCc1ccc(cc1)Cl 62a_100011713675_100011215382 [0,2,0,0,0,0|2,0,0]=4 9652 B13R1.9 N#CSCCSc1ccc(cc1)Cl 62a_100000034367_100000755918 [0,2,0,0,0,0|0,2,0]=4 9653 B13R1.9 N#CSCCSc1ccc(cc1)Cl 62a_100000755918_100000034367 [0,2,0,0,0,0|0,2,0]=4 9654 B13R1.9 NCCCOCc1ccc(cc1)Br 34a_100000182051_100000189115 [0,2,0,0,0,0|1,1,0]=4 9655 B13R1.9 NCCCOCc1ccc(cc1)Cl 34a_100000182051_100000694040 [0,2,0,0,0,0|1,0,0]=3 9656 B13R1.9 NCCCOCc1ccc(cc1)F 34a_100000182051_100000198546 [0,2,0,0,0,0|1,1,0]=4 9657 B13R1.9 NCCCOCc1ccc(cc1)I 34a_100000182051_100000189116 [0,2,0,0,0,0|1,1,0]=4 9658 B13R1.9 NCCCOCc1ccc(cn1)Cl 34a_100000182051_100012066911 [0,2,0,0,0,0|2,0,0]=4 9659 B13R1.9 NCCCOCc1ccc(nc1)Cl 34a_100000182051_100000735431 [0,2,0,0,0,0|2,0,0]=4 9660 B13R1.9 NCCOCCc1ccc(cc1)Br 34a_100000210304_100011740612 [0,2,0,0,0,0|1,1,0]=4 9661 B13R1.9 NCCOCCc1ccc(cc1)Cl 34a_100000210304_100011713675 [0,2,0,0,0,0|1,0,0]=3 9662 B13R1.9 NCCOCCc1ccc(cc1)F 34a_100000210304_100011217392 [0,2,0,0,0,0|1,1,0]=4 9663 B13R1.9 NOCCOCc1ccc(cc1)Br 34a_100000700252_100000189115 [0,2,0,0,0,0|0,1,0]=3 9664 B13R1.9 NOCCOCc1ccc(cc1)Cl 34a_100000700252_100000694040 [0,2,0,0,0,0|0,0,0]=2 9665 B13R1.9 NOCCOCc1ccc(cc1)F 34a_100000700252_100000198546 [0,2,0,0,0,0|0,1,0]=3 9666 B13R1.9 NOCCOCc1ccc(cc1)I 34a_100000700252_100000189116 [0,2,0,0,0,0|0,1,0]=3 9667 B13R1.9 NOCCOCc1ccc(cn1)Br 34a_100000700252_100000702658 [0,2,0,0,0,0|1,1,0]=4 9668 B13R1.9 NOCCOCc1ccc(cn1)Cl 34a_100000700252_100012066911 [0,2,0,0,0,0|1,0,0]=3 9669 B13R1.9 NOCCOCc1ccc(cn1)F 34a_100000700252_100000703193 [0,2,0,0,0,0|1,1,0]=4 9670 B13R1.9 NOCCOCc1ccc(nc1)Br 34a_100000700252_100009831999 [0,2,0,0,0,0|1,1,0]=4 9671 B13R1.9 NOCCOCc1ccc(nc1)Cl 34a_100000700252_100000735431 [0,2,0,0,0,0|1,0,0]=3 9672 B13R1.9 NOCCOCc1ccc(nc1)F 34a_100000700252_100000099788 [0,2,0,0,0,0|1,1,0]=4 9673 B13R1.9 NOCCOCc1ccc(nn1)Cl 34a_100000700252_100016992710 [0,2,0,0,0,0|2,0,0]=4 9674 B13R1.9 Nc1ccc(cc1)CCOCCF 34a_100011204434_100011217306 [0,2,0,0,0,0|2,0,0]=4 9675 B13R1.9 Nc1ccc(cc1)CCOCCO 34a_100011204434_100000211926 [0,2,0,0,0,0|1,0,0]=3 9676 B13R1.9 Nc1ccc(cc1)COCCCF 34a_100011215238_100011934791 [0,2,0,0,0,0|2,0,0]=4 9677 B13R1.9 Nc1ccc(cc1)COCCCO 34a_100011215238_100000230001 [0,2,0,0,0,0|1,0,0]=3 9678 B13R1.9 Nc1ccc(cc1)OCC#CCO 34a_100000185829_200000047223 [0,2,0,0,0,0|1,0,0]=3 9679 B13R1.9 Nc1ccc(cc1)OCCCCF 34a_100000185829_100000729493 [0,2,0,0,0,0|2,0,0]=4 9680 B13R1.9 Nc1ccc(cc1)OCCCCO 34a_100000185829_100011216708 [0,2,0,0,0,0|1,0,0]=3 9681 B13R1.9 Nc1ccc(cc1)OCCOCF 34a_100000754363_100015361967 [0,2,0,0,0,0|1,0,0]=3 9682 B13R1.9 Nc1ccc(cc1)SCC#CCO 62a_100000185761_200000047223 [0,2,0,0,0,0|1,1,0]=4 9683 B13R1.9 Nc1ccc(cc1)SCC#CCO 62a_200000047223_100000185761 [0,2,0,0,0,0|1,1,0]=4 9684 B13R1.9 Nc1ccc(cc1)SCCCCO 62a_100000185761_100000210776 [0,2,0,0,0,0|1,1,0]=4 9685 B13R1.9 Nc1ccc(cc1)SCCCCO 62a_100000210776_100000185761 [0,2,0,0,0,0|1,1,0]=4 9686 B13R1.9 Nc1ccc(cn1)COCCCO 34a_100000704267_100000230001 [0,2,0,0,0,0|2,0,0]=4 9687 B13R1.9 Nc1ccc(cn1)OCC#CCO 34a_100015188713_200000047223 [0,2,0,0,0,0|2,0,0]=4 9688 B13R1.9 Nc1ccc(cn1)OCC#CCO 7a_100015188713_200000047223 [0,2,0,0,0,0|2,0,0]=4 9689 B13R1.9 Nc1ccc(cn1)OCCCCO 34a_100015188713_100011216708 [0,2,0,0,0,0|2,0,0]=4 9690 B13R1.9 Nc1ccc(cn1)OCCCCO 7a_100015188713_100000210776 [0,2,0,0,0,0|2,0,0]=4 9691 B13R1.9 Nc1ccc(nc1)COCCCO 34a_100011998161_100000230001 [0,2,0,0,0,0|2,0,0]=4 9692 B13R1.9 Nc1ccc(nc1)OCC#CCO 34a_100000729260_200000047223 [0,2,0,0,0,0|2,0,0]=4 9693 B13R1.9 Nc1ccc(nc1)OCCCCO 34a_100000729260_100011216708 [0,2,0,0,0,0|2,0,0]=4 9694 B13R1.9 Nc1ccc(nc1)OCCOCF 34a_100102662783_100015361967 [0,2,0,0,0,0|2,0,0]=4 9695 B13R1.9 O=CCCCNc1ccc(cc1)Cl 2230a_100000210052_200011292268 [0,2,0,0,0,0|1,0,1]=4 9696 B13R1.9 O=CCCCOc1ccc(cc1)Br 7a_100000185759_200011292268 [0,2,0,0,0,0|0,1,1]=4 9697 B13R1.9 O=CCCCOc1ccc(cc1)Cl 7a_100000210216_200011292268 [0,2,0,0,0,0|0,0,1]=3 9698 B13R1.9 O=CCCCOc1ccc(cc1)I 7a_100000212066_200011292268 [0,2,0,0,0,0|0,1,1]=4 9699 B13R1.9 O=CCCCOc1ccc(nc1)Cl 7a_100000744096_200011292268 [0,2,0,0,0,0|1,0,1]=4 9700 B13R1.9 O=CCCCSc1ccc(cc1)Cl 62a_100000755918_200011292268 [0,2,0,0,0,0|0,1,1]=4 9701 B13R1.9 O=CCCCSc1ccc(cc1)Cl 62a_200011292268_100000755918 [0,2,0,0,0,0|0,1,1]=4 9702 B13R1.9 O=CCNCCc1ccc(cc1)Cl 2230a_100000185265_200015260668 [0,2,0,0,0,0|1,0,1]=4 9703 B13R1.9 O=CCNCCc1ccc(cc1)Cl 34a_100000185265_200009817547 [0,2,0,0,0,0|1,0,1]=4 9704 B13R1.9 O=CCOCCc1ccc(cc1)Cl 34a_100011219627_200009817547 [0,2,0,0,0,0|0,0,2]=4 9705 B13R1.9 O=CCOCCc1ccc(cc1)Cl 7a_100011219627_200015260668 [0,2,0,0,0,0|0,0,2]=4 9706 B13R1.9 O=CCSCCc1ccc(cc1)Cl 62a_100011713675_200015260668 [0,2,0,0,0,0|1,0,1]=4 9707 B13R1.9 O=CCSCCc1ccc(cc1)Cl 62a_200015260668_100011713675 [0,2,0,0,0,0|1,0,1]=4 9708 B13R1.9 O=c1ccc(c[nH]1)COCCCO 34a_100011999846_100000230001 [0,2,0,0,0,0|2,0,0]=4 9709 B13R1.9 O=c1ccc(c[nH]1)OCC#CCO 34a_100000075641_200000047223 [0,2,0,0,0,0|2,0,0]=4 9710 B13R1.9 O=c1ccc(c[nH]1)OCCCCO 34a_100000075641_100011216708 [0,2,0,0,0,0|2,0,0]=4 9711 B13R1.9 OCC#CCNc1ccc(cc1)Br 2230a_100000210018_200000047223 [0,2,0,0,0,0|1,1,0]=4 9712 B13R1.9 OCC#CCNc1ccc(cc1)Br 34a_100000210018_200000047223 [0,2,0,0,0,0|1,1,0]=4 9713 B13R1.9 OCC#CCNc1ccc(cc1)Cl 2230a_100000210052_200000047223 [0,2,0,0,0,0|1,0,0]=3 9714 B13R1.9 OCC#CCNc1ccc(cc1)Cl 34a_100000210052_200000047223 [0,2,0,0,0,0|1,0,0]=3 9715 B13R1.9 OCC#CCNc1ccc(cc1)F 34a_100000185862_200000047223 [0,2,0,0,0,0|1,1,0]=4 9716 B13R1.9 OCC#CCNc1ccc(cc1)I 34a_100000185761_200000047223 [0,2,0,0,0,0|1,1,0]=4 9717 B13R1.9 OCC#CCNc1ccc(cc1)O 34a_100000185829_200000047223 [0,2,0,0,0,0|2,0,0]=4 9718 B13R1.9 OCC#CCOc1ccc(cc1)Br 34a_100000185759_200000047223 [0,2,0,0,0,0|0,1,0]=3 9719 B13R1.9 OCC#CCOc1ccc(cc1)Br 7a_100000185759_200000047223 [0,2,0,0,0,0|0,1,0]=3 9720 B13R1.9 OCC#CCOc1ccc(cc1)Cl 34a_100000210216_200000047223 [0,2,0,0,0,0|0,0,0]=2 9721 B13R1.9 OCC#CCOc1ccc(cc1)Cl 7a_100000210216_200000047223 [0,2,0,0,0,0|0,0,0]=2 9722 B13R1.9 OCC#CCOc1ccc(cc1)F 34a_100000210339_200000047223 [0,2,0,0,0,0|0,1,0]=3 9723 B13R1.9 OCC#CCOc1ccc(cc1)I 34a_100000212066_200000047223 [0,2,0,0,0,0|0,1,0]=3 9724 B13R1.9 OCC#CCOc1ccc(cc1)I 7a_100000212066_200000047223 [0,2,0,0,0,0|0,1,0]=3 9725 B13R1.9 OCC#CCOc1ccc(cn1)Cl 34a_100011215309_200000047223 [0,2,0,0,0,0|1,0,0]=3 9726 B13R1.9 OCC#CCOc1ccc(cn1)F 34a_100000742473_200000047223 [0,2,0,0,0,0|1,1,0]=4 9727 B13R1.9 OCC#CCOc1ccc(nc1)Br 34a_100000685995_200000047223 [0,2,0,0,0,0|1,1,0]=4 9728 B13R1.9 OCC#CCOc1ccc(nc1)Br 7a_100000685995_200000047223 [0,2,0,0,0,0|1,1,0]=4 9729 B13R1.9 OCC#CCOc1ccc(nc1)Cl 34a_100000744096_200000047223 [0,2,0,0,0,0|1,0,0]=3 9730 B13R1.9 OCC#CCOc1ccc(nc1)Cl 7a_100000744096_200000047223 [0,2,0,0,0,0|1,0,0]=3 9731 B13R1.9 OCC#CCOc1ccc(nc1)F 34a_100000688820_200000047223 [0,2,0,0,0,0|1,1,0]=4 9732 B13R1.9 OCC#CCOc1ccc(nc1)F 7a_100000688820_200000047223 [0,2,0,0,0,0|1,1,0]=4 9733 B13R1.9 OCC#CCOc1ccc(nc1)I 34a_100000687607_200000047223 [0,2,0,0,0,0|1,1,0]=4 9734 B13R1.9 OCC#CCOc1ccc(nc1)I 7a_100000687607_200000047223 [0,2,0,0,0,0|1,1,0]=4 9735 B13R1.9 OCC#CCOc1cnc(cn1)Cl 34a_100015839800_200000047223 [0,2,0,0,0,0|2,0,0]=4 9736 B13R1.9 OCC#CCOc1cnc(nc1)Cl 34a_100000092845_200000047223 [0,2,0,0,0,0|2,0,0]=4 9737 B13R1.9 OCC#CCOc1cnc(nc1)Cl 7a_100000092845_200000047223 [0,2,0,0,0,0|2,0,0]=4 9738 B13R1.9 OCC#CCSc1ccc(cc1)Br 62a_100000752885_200000047223 [0,2,0,0,0,0|0,2,0]=4 9739 B13R1.9 OCC#CCSc1ccc(cc1)Br 62a_200000047223_100000752885 [0,2,0,0,0,0|0,2,0]=4 9740 B13R1.9 OCC#CCSc1ccc(cc1)Cl 62a_100000755918_200000047223 [0,2,0,0,0,0|0,1,0]=3 9741 B13R1.9 OCC#CCSc1ccc(cc1)Cl 62a_200000047223_100000755918 [0,2,0,0,0,0|0,1,0]=3 9742 B13R1.9 OCC#CCSc1ccc(cc1)F 62a_100000211213_200000047223 [0,2,0,0,0,0|0,2,0]=4 9743 B13R1.9 OCC#CCSc1ccc(cc1)F 62a_200000047223_100000211213 [0,2,0,0,0,0|0,2,0]=4 9744 B13R1.9 OCC#CCSc1ccc(cc1)O 62a_200000047223_100000185759 [0,2,0,0,0,0|1,1,0]=4 9745 B13R1.9 OCC#CCSc1ccc(cn1)Cl 62a_100011356976_200000047223 [0,2,0,0,0,0|1,1,0]=4 9746 B13R1.9 OCC#CCSc1ccc(cn1)Cl 62a_200000047223_100011356976 [0,2,0,0,0,0|1,1,0]=4 9747 B13R1.9 OCC#CCSc1ccc(nc1)Cl 62a_100000034144_200000047223 [0,2,0,0,0,0|1,1,0]=4 9748 B13R1.9 OCC#CCSc1ccc(nc1)Cl 62a_200000047223_100000034144 [0,2,0,0,0,0|1,1,0]=4 9749 B13R1.9 OCCCCNc1ccc(cc1)Br 2230a_100000210018_100000210776 [0,2,0,0,0,0|1,1,0]=4 9750 B13R1.9 OCCCCNc1ccc(cc1)Br 34a_100000210018_100011216708 [0,2,0,0,0,0|1,1,0]=4 9751 B13R1.9 OCCCCNc1ccc(cc1)Cl 2230a_100000210052_100000210776 [0,2,0,0,0,0|1,0,0]=3 9752 B13R1.9 OCCCCNc1ccc(cc1)Cl 34a_100000210052_100011216708 [0,2,0,0,0,0|1,0,0]=3 9753 B13R1.9 OCCCCNc1ccc(cc1)F 34a_100000185862_100011216708 [0,2,0,0,0,0|1,1,0]=4 9754 B13R1.9 OCCCCNc1ccc(cc1)I 34a_100000185761_100011216708 [0,2,0,0,0,0|1,1,0]=4 9755 B13R1.9 OCCCCNc1ccc(cc1)O 34a_100000185829_100011216708 [0,2,0,0,0,0|2,0,0]=4 9756 B13R1.9 OCCCCOc1ccc(cc1)Br 34a_100000185759_100011216708 [0,2,0,0,0,0|0,1,0]=3 9757 B13R1.9 OCCCCOc1ccc(cc1)Br 7a_100000185759_100000210776 [0,2,0,0,0,0|0,1,0]=3 9758 B13R1.9 OCCCCOc1ccc(cc1)Cl 34a_100000210216_100011216708 [0,2,0,0,0,0|0,0,0]=2 9759 B13R1.9 OCCCCOc1ccc(cc1)Cl 7a_100000210216_100000210776 [0,2,0,0,0,0|0,0,0]=2 9760 B13R1.9 OCCCCOc1ccc(cc1)F 34a_100000210339_100011216708 [0,2,0,0,0,0|0,1,0]=3 9761 B13R1.9 OCCCCOc1ccc(cc1)I 34a_100000212066_100011216708 [0,2,0,0,0,0|0,1,0]=3 9762 B13R1.9 OCCCCOc1ccc(cc1)I 7a_100000212066_100000210776 [0,2,0,0,0,0|0,1,0]=3 9763 B13R1.9 OCCCCOc1ccc(cn1)Cl 34a_100011215309_100011216708 [0,2,0,0,0,0|1,0,0]=3 9764 B13R1.9 OCCCCOc1ccc(cn1)F 34a_100000742473_100011216708 [0,2,0,0,0,0|1,1,0]=4 9765 B13R1.9 OCCCCOc1ccc(nc1)Br 34a_100000685995_100011216708 [0,2,0,0,0,0|1,1,0]=4 9766 B13R1.9 OCCCCOc1ccc(nc1)Br 7a_100000685995_100000210776 [0,2,0,0,0,0|1,1,0]=4 9767 B13R1.9 OCCCCOc1ccc(nc1)Cl 34a_100000744096_100011216708 [0,2,0,0,0,0|1,0,0]=3 9768 B13R1.9 OCCCCOc1ccc(nc1)Cl 7a_100000744096_100000210776 [0,2,0,0,0,0|1,0,0]=3 9769 B13R1.9 OCCCCOc1ccc(nc1)F 34a_100000688820_100011216708 [0,2,0,0,0,0|1,1,0]=4 9770 B13R1.9 OCCCCOc1ccc(nc1)F 7a_100000688820_100000210776 [0,2,0,0,0,0|1,1,0]=4 9771 B13R1.9 OCCCCOc1ccc(nc1)I 34a_100000687607_100011216708 [0,2,0,0,0,0|1,1,0]=4 9772 B13R1.9 OCCCCOc1ccc(nc1)I 7a_100000687607_100000210776 [0,2,0,0,0,0|1,1,0]=4 9773 B13R1.9 OCCCCOc1cnc(cn1)Cl 34a_100015839800_100011216708 [0,2,0,0,0,0|2,0,0]=4 9774 B13R1.9 OCCCCOc1cnc(nc1)Cl 34a_100000092845_100011216708 [0,2,0,0,0,0|2,0,0]=4 9775 B13R1.9 OCCCCOc1cnc(nc1)Cl 7a_100000092845_100000210776 [0,2,0,0,0,0|2,0,0]=4 9776 B13R1.9 OCCCCSc1ccc(cc1)Br 62a_100000210776_100000752885 [0,2,0,0,0,0|0,2,0]=4 9777 B13R1.9 OCCCCSc1ccc(cc1)Br 62a_100000752885_100000210776 [0,2,0,0,0,0|0,2,0]=4 9778 B13R1.9 OCCCCSc1ccc(cc1)Cl 62a_100000210776_100000755918 [0,2,0,0,0,0|0,1,0]=3 9779 B13R1.9 OCCCCSc1ccc(cc1)Cl 62a_100000755918_100000210776 [0,2,0,0,0,0|0,1,0]=3 9780 B13R1.9 OCCCCSc1ccc(cc1)F 62a_100000210776_100000211213 [0,2,0,0,0,0|0,2,0]=4 9781 B13R1.9 OCCCCSc1ccc(cc1)F 62a_100000211213_100000210776 [0,2,0,0,0,0|0,2,0]=4 9782 B13R1.9 OCCCCSc1ccc(cc1)O 62a_100000210776_100000185759 [0,2,0,0,0,0|1,1,0]=4 9783 B13R1.9 OCCCCSc1ccc(cn1)Cl 62a_100000210776_100011356976 [0,2,0,0,0,0|1,1,0]=4 9784 B13R1.9 OCCCCSc1ccc(cn1)Cl 62a_100011356976_100000210776 [0,2,0,0,0,0|1,1,0]=4 9785 B13R1.9 OCCCCSc1ccc(nc1)Cl 62a_100000034144_100000210776 [0,2,0,0,0,0|1,1,0]=4 9786 B13R1.9 OCCCCSc1ccc(nc1)Cl 62a_100000210776_100000034144 [0,2,0,0,0,0|1,1,0]=4 9787 B13R1.9 OCCCNCc1ccc(cc1)Br 207a_100000182051_100000186029 [0,2,0,0,0,0|1,1,0]=4 9788 B13R1.9 OCCCNCc1ccc(cc1)Br 2230a_100000174875_100000230001 [0,2,0,0,0,0|1,1,0]=4 9789 B13R1.9 OCCCNCc1ccc(cc1)Br 270004a_100000182051_100000186029 [0,2,0,0,0,0|1,1,0]=4 9790 B13R1.9 OCCCNCc1ccc(cc1)Br 34a_100000174875_100000230001 [0,2,0,0,0,0|1,1,0]=4 9791 B13R1.9 OCCCNCc1ccc(cc1)Cl 207a_100000182051_100000189385 [0,2,0,0,0,0|1,0,0]=3 9792 B13R1.9 OCCCNCc1ccc(cc1)Cl 2230a_100000174871_100000230001 [0,2,0,0,0,0|1,0,0]=3 9793 B13R1.9 OCCCNCc1ccc(cc1)Cl 270004a_100000182051_100000189385 [0,2,0,0,0,0|1,0,0]=3 9794 B13R1.9 OCCCNCc1ccc(cc1)Cl 34a_100000174871_100000230001 [0,2,0,0,0,0|1,0,0]=3 9795 B13R1.9 OCCCNCc1ccc(cc1)F 207a_100000182051_100000210084 [0,2,0,0,0,0|1,1,0]=4 9796 B13R1.9 OCCCNCc1ccc(cc1)F 2230a_100000174882_100000230001 [0,2,0,0,0,0|1,1,0]=4 9797 B13R1.9 OCCCNCc1ccc(cc1)F 270004a_100000182051_100000210084 [0,2,0,0,0,0|1,1,0]=4 9798 B13R1.9 OCCCNCc1ccc(cc1)F 34a_100000174882_100000230001 [0,2,0,0,0,0|1,1,0]=4 9799 B13R1.9 OCCCNCc1ccc(cc1)I 207a_100000182051_100000188517 [0,2,0,0,0,0|1,1,0]=4 9800 B13R1.9 OCCCNCc1ccc(cc1)I 2230a_100016989417_100000230001 [0,2,0,0,0,0|1,1,0]=4 9801 B13R1.9 OCCCNCc1ccc(cc1)I 34a_100016989417_100000230001 [0,2,0,0,0,0|1,1,0]=4 9802 B13R1.9 OCCCNCc1ccc(cc1)O 34a_100000185549_100000230001 [0,2,0,0,0,0|2,0,0]=4 9803 B13R1.9 OCCCNCc1ccc(cn1)Cl 207a_100000182051_100011361569 [0,2,0,0,0,0|2,0,0]=4 9804 B13R1.9 OCCCNCc1ccc(cn1)Cl 270004a_100000182051_100011361569 [0,2,0,0,0,0|2,0,0]=4 9805 B13R1.9 OCCCNCc1ccc(cn1)Cl 34a_100000697193_100000230001 [0,2,0,0,0,0|2,0,0]=4 9806 B13R1.9 OCCCNCc1ccc(nc1)Cl 2230a_100000735879_100000230001 [0,2,0,0,0,0|2,0,0]=4 9807 B13R1.9 OCCCNCc1ccc(nc1)Cl 34a_100000735879_100000230001 [0,2,0,0,0,0|2,0,0]=4 9808 B13R1.9 OCCCOCc1ccc(cc1)Br 34a_100000695286_100000230001 [0,2,0,0,0,0|0,1,0]=3 9809 B13R1.9 OCCCOCc1ccc(cc1)Cl 34a_100000211118_100000230001 [0,2,0,0,0,0|0,0,0]=2 9810 B13R1.9 OCCCOCc1ccc(cc1)Cl 7a_100000211118_100011215043 [0,2,0,0,0,0|0,0,0]=2 9811 B13R1.9 OCCCOCc1ccc(cc1)F 34a_100000210977_100000230001 [0,2,0,0,0,0|0,1,0]=3 9812 B13R1.9 OCCCOCc1ccc(cc1)F 7a_100000210977_100011215043 [0,2,0,0,0,0|0,1,0]=3 9813 B13R1.9 OCCCOCc1ccc(cc1)I 34a_100000690907_100000230001 [0,2,0,0,0,0|0,1,0]=3 9814 B13R1.9 OCCCOCc1ccc(cc1)I 7a_100000690907_100011215043 [0,2,0,0,0,0|0,1,0]=3 9815 B13R1.9 OCCCOCc1ccc(cn1)Br 34a_100000754261_100000230001 [0,2,0,0,0,0|1,1,0]=4 9816 B13R1.9 OCCCOCc1ccc(cn1)Cl 34a_100000703999_100000230001 [0,2,0,0,0,0|1,0,0]=3 9817 B13R1.9 OCCCOCc1ccc(cn1)F 34a_100011999454_100000230001 [0,2,0,0,0,0|1,1,0]=4 9818 B13R1.9 OCCCOCc1ccc(nc1)Br 34a_100009816760_100000230001 [0,2,0,0,0,0|1,1,0]=4 9819 B13R1.9 OCCCOCc1ccc(nc1)Br 7a_100009816760_100011215043 [0,2,0,0,0,0|1,1,0]=4 9820 B13R1.9 OCCCOCc1ccc(nc1)Cl 34a_100000755211_100000230001 [0,2,0,0,0,0|1,0,0]=3 9821 B13R1.9 OCCCOCc1ccc(nc1)Cl 7a_100000755211_100011215043 [0,2,0,0,0,0|1,0,0]=3 9822 B13R1.9 OCCCOCc1ccc(nc1)F 34a_100000079959_100000230001 [0,2,0,0,0,0|1,1,0]=4 9823 B13R1.9 OCCCOCc1cnc(cn1)Cl 34a_100012002382_100000230001 [0,2,0,0,0,0|2,0,0]=4 9824 B13R1.9 OCCCOCc1cnc(nc1)Cl 34a_100009855073_100000230001 [0,2,0,0,0,0|2,0,0]=4 9825 B13R1.9 OCCCOCc1cnc(nc1)Cl 7a_100009855073_100011215043 [0,2,0,0,0,0|2,0,0]=4 9826 B13R1.9 OCCCSCc1ccc(cc1)Br 62a_100000189115_100011215043 [0,2,0,0,0,0|0,2,0]=4 9827 B13R1.9 OCCCSCc1ccc(cc1)Br 62a_100011215043_100000189115 [0,2,0,0,0,0|0,2,0]=4 9828 B13R1.9 OCCCSCc1ccc(cc1)Cl 62a_100000187161_100011215043 [0,2,0,0,0,0|0,1,0]=3 9829 B13R1.9 OCCCSCc1ccc(cc1)Cl 62a_100011215043_100000187161 [0,2,0,0,0,0|0,1,0]=3 9830 B13R1.9 OCCCSCc1ccc(cc1)F 62a_100000198546_100011215043 [0,2,0,0,0,0|0,2,0]=4 9831 B13R1.9 OCCCSCc1ccc(cc1)F 62a_100011215043_100000187164 [0,2,0,0,0,0|0,2,0]=4 9832 B13R1.9 OCCCSCc1ccc(cc1)I 62a_100000189116_100011215043 [0,2,0,0,0,0|0,2,0]=4 9833 B13R1.9 OCCCSCc1ccc(cc1)I 62a_100011215043_100000189116 [0,2,0,0,0,0|0,2,0]=4 9834 B13R1.9 OCCCSCc1ccc(cn1)Cl 62a_100011215043_100000697101 [0,2,0,0,0,0|1,1,0]=4 9835 B13R1.9 OCCCSCc1ccc(cn1)Cl 62a_100012066911_100011215043 [0,2,0,0,0,0|1,1,0]=4 9836 B13R1.9 OCCCSCc1ccc(nc1)Cl 62a_100000735431_100011215043 [0,2,0,0,0,0|1,1,0]=4 9837 B13R1.9 OCCCSCc1ccc(nc1)Cl 62a_100011215043_100000735431 [0,2,0,0,0,0|1,1,0]=4 9838 B13R1.9 OCCNCCc1ccc(cc1)Br 2230a_100000755846_100000211926 [0,2,0,0,0,0|1,1,0]=4 9839 B13R1.9 OCCNCCc1ccc(cc1)Br 2230a_100016997473_100011740612 [0,2,0,0,0,0|1,1,0]=4 9840 B13R1.9 OCCNCCc1ccc(cc1)Br 34a_100000755846_100000211926 [0,2,0,0,0,0|1,1,0]=4 9841 B13R1.9 OCCNCCc1ccc(cc1)Br 34a_100016990907_100011740612 [0,2,0,0,0,0|1,1,0]=4 9842 B13R1.9 OCCNCCc1ccc(cc1)Cl 2230a_100000185265_100000211926 [0,2,0,0,0,0|1,0,0]=3 9843 B13R1.9 OCCNCCc1ccc(cc1)Cl 2230a_100016997473_100011713675 [0,2,0,0,0,0|1,0,0]=3 9844 B13R1.9 OCCNCCc1ccc(cc1)Cl 34a_100000185265_100000211926 [0,2,0,0,0,0|1,0,0]=3 9845 B13R1.9 OCCNCCc1ccc(cc1)Cl 34a_100016990907_100011713675 [0,2,0,0,0,0|1,0,0]=3 9846 B13R1.9 OCCNCCc1ccc(cc1)F 2230a_100000199005_100000211926 [0,2,0,0,0,0|1,1,0]=4 9847 B13R1.9 OCCNCCc1ccc(cc1)F 2230a_100016997473_100011217392 [0,2,0,0,0,0|1,1,0]=4 9848 B13R1.9 OCCNCCc1ccc(cc1)F 34a_100000199005_100000211926 [0,2,0,0,0,0|1,1,0]=4 9849 B13R1.9 OCCNCCc1ccc(cc1)F 34a_100016990907_100011217392 [0,2,0,0,0,0|1,1,0]=4 9850 B13R1.9 OCCNCCc1ccc(cc1)O 2230a_100016997473_100009816426 [0,2,0,0,0,0|2,0,0]=4 9851 B13R1.9 OCCNCCc1ccc(cc1)O 34a_100000743037_100000211926 [0,2,0,0,0,0|2,0,0]=4 9852 B13R1.9 OCCNN=Cc1ccc(cc1)Br 4a_100000210001_100000186029 [0,2,0,0,0,0|1,1,0]=4 9853 B13R1.9 OCCNN=Cc1ccc(cc1)Cl 4a_100000210001_100000189385 [0,2,0,0,0,0|1,0,0]=3 9854 B13R1.9 OCCNN=Cc1ccc(cc1)F 4a_100000210001_100000210084 [0,2,0,0,0,0|1,1,0]=4 9855 B13R1.9 OCCNN=Cc1ccc(cc1)I 4a_100000210001_100000188517 [0,2,0,0,0,0|1,1,0]=4 9856 B13R1.9 OCCNN=Cc1ccc(cc1)O 4a_100000210001_100000185832 [0,2,0,0,0,0|2,0,0]=4 9857 B13R1.9 OCCNN=Cc1ccc(cn1)Cl 4a_100000210001_100011361569 [0,2,0,0,0,0|2,0,0]=4 9858 B13R1.9 OCCNN=Cc1ccc(nc1)Cl 4a_100000210001_100000766901 [0,2,0,0,0,0|2,0,0]=4 9859 B13R1.9 OCCOCCc1ccc(cc1)Br 34a_100000766406_100000211926 [0,2,0,0,0,0|0,1,0]=3 9860 B13R1.9 OCCOCCc1ccc(cc1)Br 7a_100000766406_100000211926 [0,2,0,0,0,0|0,1,0]=3 9861 B13R1.9 OCCOCCc1ccc(cc1)Cl 34a_100011219627_100000211926 [0,2,0,0,0,0|0,0,0]=2 9862 B13R1.9 OCCOCCc1ccc(cc1)Cl 7a_100011219627_100000211926 [0,2,0,0,0,0|0,0,0]=2 9863 B13R1.9 OCCOCCc1ccc(cc1)F 34a_100000754732_100000211926 [0,2,0,0,0,0|0,1,0]=3 9864 B13R1.9 OCCOCCc1ccc(cc1)F 7a_100000754732_100000211926 [0,2,0,0,0,0|0,1,0]=3 9865 B13R1.9 OCCOCCc1ccc(cc1)I 34a_100012291149_100000211926 [0,2,0,0,0,0|0,1,0]=3 9866 B13R1.9 OCCOCCc1ccc(cc1)I 7a_100012291149_100000211926 [0,2,0,0,0,0|0,1,0]=3 9867 B13R1.9 OCCOCCc1ccc(cn1)Br 34a_100012357577_100000211926 [0,2,0,0,0,0|1,1,0]=4 9868 B13R1.9 OCCOCCc1ccc(nc1)Cl 34a_100009880866_100000211926 [0,2,0,0,0,0|1,0,0]=3 9869 B13R1.9 OCCOCCc1ccc(nc1)Cl 7a_100009880866_100000211926 [0,2,0,0,0,0|1,0,0]=3 9870 B13R1.9 OCCSCCc1ccc(cc1)Br 62a_100000211926_100011740612 [0,2,0,0,0,0|0,2,0]=4 9871 B13R1.9 OCCSCCc1ccc(cc1)Br 62a_100011740612_100000211926 [0,2,0,0,0,0|0,2,0]=4 9872 B13R1.9 OCCSCCc1ccc(cc1)Cl 62a_100000211926_100011713675 [0,2,0,0,0,0|0,1,0]=3 9873 B13R1.9 OCCSCCc1ccc(cc1)Cl 62a_100011713675_100000211926 [0,2,0,0,0,0|0,1,0]=3 9874 B13R1.9 OCCSCCc1ccc(cc1)F 62a_100000211926_100011217392 [0,2,0,0,0,0|0,2,0]=4 9875 B13R1.9 OCCSCCc1ccc(cc1)F 62a_100011217392_100000211926 [0,2,0,0,0,0|0,2,0]=4 9876 B13R1.9 OCCSCCc1ccc(cc1)O 62a_100000211926_100009816426 [0,2,0,0,0,0|1,1,0]=4 9877 B13R1.9 OCCSCCc1ccc(cc1)O 62a_100009816426_100000211926 [0,2,0,0,0,0|1,1,0]=4 9878 B13R1.9 [13CH3]NCCCCc1ccc(cc1)Cl 2230a_100160821348_200025704644 [0,2,0,0,0,0|2,0,0]=4 9879 B13R1.9 [13CH3]NCCCCc1ccc(cc1)Cl 34a_100160821348_200025704644 [0,2,0,0,0,0|2,0,0]=4 9880 B13R1.9 [13CH3]NCCCOc1ccc(cc1)Cl 2230a_200011199081_200025704644 [0,2,0,0,0,0|1,0,0]=3 9881 B13R1.9 [13CH3]NCCCOc1ccc(cc1)Cl 34a_200011199081_200025704644 [0,2,0,0,0,0|1,0,0]=3 9882 B13R1.9 [13CH3]NCCCOc1ccc(cc1)F 2230a_100000747263_200025704644 [0,2,0,0,0,0|1,1,0]=4 9883 B13R1.9 [13CH3]NCCCOc1ccc(cc1)F 34a_100000747263_200025704644 [0,2,0,0,0,0|1,1,0]=4 9884 B13R1.9 [13CH3]NCCCSc1ccc(cc1)Cl 2230a_100000189518_200025704644 [0,2,0,0,0,0|1,1,0]=4 9885 B13R1.9 [13CH3]NCCOCc1ccc(cc1)Cl 2230a_100000189180_200025704644 [0,2,0,0,0,0|1,0,0]=3 9886 B13R1.9 [13CH3]NCCOCc1ccc(cc1)Cl 34a_100000189180_200025704644 [0,2,0,0,0,0|1,0,0]=3 9887 B13R1.9 [13CH3]NCCSCc1ccc(cc1)Cl 2230a_100000739548_200025704644 [0,2,0,0,0,0|1,1,0]=4 9888 B13R1.9 [13CH3]NCCSCc1ccc(cc1)Cl 34a_100000739548_200025704644 [0,2,0,0,0,0|1,1,0]=4 9889 B13R1.9 [13CH3]NCCSCc1ccc(cc1)Cl 7a_100000739548_200025704644 [0,2,0,0,0,0|1,1,0]=4 9890 B13R1.9 [13CH3]OCCCOc1ccc(cc1)Br 34a_100000756186_200025704644 [0,2,0,0,0,0|0,1,0]=3 9891 B13R1.9 [13CH3]OCCCOc1ccc(cc1)Br 7a_100000756186_200025704644 [0,2,0,0,0,0|0,1,0]=3 9892 B13R1.9 [13CH3]OCCCOc1ccc(cc1)N 34a_100000730458_200025704644 [0,2,0,0,0,0|1,0,0]=3 9893 B13R1.9 [13CH3]OCCNCc1ccc(cc1)Br 34a_100000186819_200025704644 [0,2,0,0,0,0|1,1,0]=4 9894 B13R1.9 [13CH3]OCCNCc1ccc(cc1)F 34a_100015183715_200025704644 [0,2,0,0,0,0|1,1,0]=4 9895 B13R1.9 [13CH3]OCCSCc1ccc(cc1)Cl 34a_200000186141_200025704644 [0,2,0,0,0,0|0,1,0]=3 9896 B13R1.9 [13CH3]OCCSCc1ccc(cc1)Cl 7a_200000186141_200025704644 [0,2,0,0,0,0|0,1,0]=3 9897 B13R1.9 [13CH3]SCCCOc1ccc(cc1)Br 62a_100011259224_200025704644 [0,2,0,0,0,0|0,2,0]=4 9898 B13R1.9 [13CH3]SCCCOc1ccc(cc1)Br 62a_200025704644_100011259224 [0,2,0,0,0,0|0,2,0]=4 9899 B13R1.9 [13CH3]SCCCOc1ccc(cc1)F 62a_100000181347_200025704644 [0,2,0,0,0,0|0,2,0]=4 9900 B13R1.9 [13CH3]SCCCOc1ccc(cc1)F 62a_200025704644_100000181347 [0,2,0,0,0,0|0,2,0]=4 9901 B13R1.9 [O-][n+]1ccc(cc1)COCCCO 34a_100000031831_100000230001 [0,2,0,0,0,0|2,0,0]=4 9902 B13R1.9 [O-][n+]1ccc(cc1)COCCCO 7a_100000031831_100011215043 [0,2,0,0,0,0|2,0,0]=4 9903 B13R1.14 C#CC(C)OCc1ccc(cc1)Cl 34a_100000211118_200000035995 [0,2,0,0,0,0|1,0,1]=4 9904 B13R1.14 C#C[C@@H](C)OCc1ccc(cc1)Cl 34a_100009815206_100000694040 [0,2,0,0,0,0|1,0,1]=4 9905 B13R1.14 C#C[C@@H](C)OCc1ccc(cc1)Cl 7a_100009815206_100000187161 [0,2,0,0,0,0|1,0,1]=4 9906 B13R1.14 C=C(C#N)COc1ccc(cc1)Cl 34a_100000210216_100000694840 [0,2,0,0,0,0|1,0,1]=4 9907 B13R1.14 C=CC(C)OCc1ccc(cc1)Cl 34a_100000695699_100000694040 [0,2,0,0,0,0|1,0,1]=4 9908 B13R1.14 C=CC(O)CNc1ccc(cc1)Br 2230a_100000210018_100000730141 [0,2,0,0,0,0|1,1,0]=4 9909 B13R1.14 C=CC(O)CNc1ccc(cc1)Br 34a_100000210018_100000730141 [0,2,0,0,0,0|1,1,0]=4 9910 B13R1.14 C=CC(O)CNc1ccc(cc1)C 34a_100000124888_100000730141 [0,2,0,0,0,0|2,0,0]=4 9911 B13R1.14 C=CC(O)CNc1ccc(cc1)Cl 2230a_100000210052_100000730141 [0,2,0,0,0,0|1,0,0]=3 9912 B13R1.14 C=CC(O)CNc1ccc(cc1)Cl 34a_100000210052_100000730141 [0,2,0,0,0,0|1,0,0]=3 9913 B13R1.14 C=CC(O)CNc1ccc(cc1)F 34a_100000185862_100000730141 [0,2,0,0,0,0|1,1,0]=4 9914 B13R1.14 C=CC(O)CNc1ccc(cc1)I 34a_100000185761_100000730141 [0,2,0,0,0,0|1,1,0]=4 9915 B13R1.14 C=CC(O)CNc1ccc(cc1)O 34a_100000185829_100000730141 [0,2,0,0,0,0|2,0,0]=4 9916 B13R1.14 C=CC(O)COc1ccc(=O)[nH]c1 34a_100000075641_100000730141 [0,2,0,0,0,0|2,0,0]=4 9917 B13R1.14 C=CC(O)COc1ccc(cc1)Br 34a_100000185759_100000730141 [0,2,0,0,0,0|0,1,0]=3 9918 B13R1.14 C=CC(O)COc1ccc(cc1)Br 7a_100000185759_100000730141 [0,2,0,0,0,0|0,1,0]=3 9919 B13R1.14 C=CC(O)COc1ccc(cc1)C 34a_100000210336_100000730141 [0,2,0,0,0,0|1,0,0]=3 9920 B13R1.14 C=CC(O)COc1ccc(cc1)C 7a_100000210336_100000730141 [0,2,0,0,0,0|1,0,0]=3 9921 B13R1.14 C=CC(O)COc1ccc(cc1)Cl 34a_100000210216_100000730141 [0,2,0,0,0,0|0,0,0]=2 9922 B13R1.14 C=CC(O)COc1ccc(cc1)Cl 7a_100000210216_100000730141 [0,2,0,0,0,0|0,0,0]=2 9923 B13R1.14 C=CC(O)COc1ccc(cc1)F 34a_100000210339_100000730141 [0,2,0,0,0,0|0,1,0]=3 9924 B13R1.14 C=CC(O)COc1ccc(cc1)I 34a_100000212066_100000730141 [0,2,0,0,0,0|0,1,0]=3 9925 B13R1.14 C=CC(O)COc1ccc(cc1)I 7a_100000212066_100000730141 [0,2,0,0,0,0|0,1,0]=3 9926 B13R1.14 C=CC(O)COc1ccc(cc1)N 34a_100000185829_100000730141 [0,2,0,0,0,0|1,0,0]=3 9927 B13R1.14 C=CC(O)COc1ccc(cn1)C 34a_100000759353_100000730141 [0,2,0,0,0,0|2,0,0]=4 9928 B13R1.14 C=CC(O)COc1ccc(cn1)Cl 34a_100011215309_100000730141 [0,2,0,0,0,0|1,0,0]=3 9929 B13R1.14 C=CC(O)COc1ccc(cn1)F 34a_100000742473_100000730141 [0,2,0,0,0,0|1,1,0]=4 9930 B13R1.14 C=CC(O)COc1ccc(cn1)N 34a_100000729260_100000730141 [0,2,0,0,0,0|2,0,0]=4 9931 B13R1.14 C=CC(O)COc1ccc(nc1)Br 34a_100000685995_100000730141 [0,2,0,0,0,0|1,1,0]=4 9932 B13R1.14 C=CC(O)COc1ccc(nc1)Br 7a_100000685995_100000730141 [0,2,0,0,0,0|1,1,0]=4 9933 B13R1.14 C=CC(O)COc1ccc(nc1)C 34a_100000745506_100000730141 [0,2,0,0,0,0|2,0,0]=4 9934 B13R1.14 C=CC(O)COc1ccc(nc1)C 7a_100000745506_100000730141 [0,2,0,0,0,0|2,0,0]=4 9935 B13R1.14 C=CC(O)COc1ccc(nc1)Cl 34a_100000744096_100000730141 [0,2,0,0,0,0|1,0,0]=3 9936 B13R1.14 C=CC(O)COc1ccc(nc1)Cl 7a_100000744096_100000730141 [0,2,0,0,0,0|1,0,0]=3 9937 B13R1.14 C=CC(O)COc1ccc(nc1)F 34a_100000688820_100000730141 [0,2,0,0,0,0|1,1,0]=4 9938 B13R1.14 C=CC(O)COc1ccc(nc1)F 7a_100000688820_100000730141 [0,2,0,0,0,0|1,1,0]=4 9939 B13R1.14 C=CC(O)COc1ccc(nc1)I 34a_100000687607_100000730141 [0,2,0,0,0,0|1,1,0]=4 9940 B13R1.14 C=CC(O)COc1ccc(nc1)I 7a_100000687607_100000730141 [0,2,0,0,0,0|1,1,0]=4 9941 B13R1.14 C=CC(O)COc1ccc(nc1)N 34a_100015188713_100000730141 [0,2,0,0,0,0|2,0,0]=4 9942 B13R1.14 C=CC(O)COc1ccc(nc1)N 7a_100015188713_100000730141 [0,2,0,0,0,0|2,0,0]=4 9943 B13R1.14 C=CC(O)COc1cnc(cn1)Cl 34a_100015839800_100000730141 [0,2,0,0,0,0|2,0,0]=4 9944 B13R1.14 C=CC(O)COc1cnc(nc1)Cl 34a_100000092845_100000730141 [0,2,0,0,0,0|2,0,0]=4 9945 B13R1.14 C=CC(O)COc1cnc(nc1)Cl 7a_100000092845_100000730141 [0,2,0,0,0,0|2,0,0]=4 9946 B13R1.14 C=CC(O)CSc1ccc(cc1)Br 62a_100000730141_100000752885 [0,2,0,0,0,0|0,2,0]=4 9947 B13R1.14 C=CC(O)CSc1ccc(cc1)Br 62a_100000752885_100000730141 [0,2,0,0,0,0|0,2,0]=4 9948 B13R1.14 C=CC(O)CSc1ccc(cc1)C 62a_100000186775_100000730141 [0,2,0,0,0,0|1,1,0]=4 9949 B13R1.14 C=CC(O)CSc1ccc(cc1)C 62a_100000730141_100000186775 [0,2,0,0,0,0|1,1,0]=4 9950 B13R1.14 C=CC(O)CSc1ccc(cc1)Cl 62a_100000730141_100000755918 [0,2,0,0,0,0|0,1,0]=3 9951 B13R1.14 C=CC(O)CSc1ccc(cc1)Cl 62a_100000755918_100000730141 [0,2,0,0,0,0|0,1,0]=3 9952 B13R1.14 C=CC(O)CSc1ccc(cc1)F 62a_100000211213_100000730141 [0,2,0,0,0,0|0,2,0]=4 9953 B13R1.14 C=CC(O)CSc1ccc(cc1)F 62a_100000730141_100000211213 [0,2,0,0,0,0|0,2,0]=4 9954 B13R1.14 C=CC(O)CSc1ccc(cc1)N 62a_100000185761_100000730141 [0,2,0,0,0,0|1,1,0]=4 9955 B13R1.14 C=CC(O)CSc1ccc(cc1)N 62a_100000730141_100000185761 [0,2,0,0,0,0|1,1,0]=4 9956 B13R1.14 C=CC(O)CSc1ccc(cc1)O 62a_100000730141_100000185759 [0,2,0,0,0,0|1,1,0]=4 9957 B13R1.14 C=CC(O)CSc1ccc(cn1)Cl 62a_100000730141_100011356976 [0,2,0,0,0,0|1,1,0]=4 9958 B13R1.14 C=CC(O)CSc1ccc(cn1)Cl 62a_100011356976_100000730141 [0,2,0,0,0,0|1,1,0]=4 9959 B13R1.14 C=CC(O)CSc1ccc(nc1)Cl 62a_100000034144_100000730141 [0,2,0,0,0,0|1,1,0]=4 9960 B13R1.14 C=CC(O)CSc1ccc(nc1)Cl 62a_100000730141_100000034144 [0,2,0,0,0,0|1,1,0]=4 9961 B13R1.14 CC(=NNc1ccc(cc1)Cl)CO 4a_100000683521_100000211253 [0,2,0,0,0,0|1,0,1]=4 9962 B13R1.14 CC(C#N)OCc1ccc(cc1)Cl 34a_100011218135_100000694040 [0,2,0,0,0,0|1,0,1]=4 9963 B13R1.14 CC(C#N)OCc1ccc(cc1)Cl 7a_100000211118_100000703298 [0,2,0,0,0,0|1,0,1]=4 9964 B13R1.14 CC(CF)OCc1ccc(cc1)Br 34a_100016041109_100000189115 [0,2,0,0,0,0|1,1,0]=4 9965 B13R1.14 CC(CF)OCc1ccc(cc1)Br 7a_100016041109_100011217064 [0,2,0,0,0,0|1,1,0]=4 9966 B13R1.14 CC(CF)OCc1ccc(cc1)Cl 34a_100016041109_100000694040 [0,2,0,0,0,0|1,0,0]=3 9967 B13R1.14 CC(CF)OCc1ccc(cc1)Cl 7a_100016041109_100000187161 [0,2,0,0,0,0|1,0,0]=3 9968 B13R1.14 CC(CF)OCc1ccc(cc1)F 34a_100016041109_100000198546 [0,2,0,0,0,0|1,1,0]=4 9969 B13R1.14 CC(CF)OCc1ccc(cc1)F 7a_100016041109_100000198546 [0,2,0,0,0,0|1,1,0]=4 9970 B13R1.14 CC(CF)OCc1ccc(cc1)I 34a_100016041109_100000189116 [0,2,0,0,0,0|1,1,0]=4 9971 B13R1.14 CC(CF)OCc1ccc(cc1)I 7a_100016041109_100000189116 [0,2,0,0,0,0|1,1,0]=4 9972 B13R1.14 CC(CF)OCc1ccc(cn1)Cl 34a_100016041109_100012066911 [0,2,0,0,0,0|2,0,0]=4 9973 B13R1.14 CC(CF)OCc1ccc(cn1)Cl 7a_100016041109_100012066911 [0,2,0,0,0,0|2,0,0]=4 9974 B13R1.14 CC(CF)OCc1ccc(nc1)Cl 34a_100016041109_100000735431 [0,2,0,0,0,0|2,0,0]=4 9975 B13R1.14 CC(CF)OCc1ccc(nc1)Cl 7a_100016041109_100000735431 [0,2,0,0,0,0|2,0,0]=4 9976 B13R1.14 CC(CN)OCc1ccc(cc1)Br 34a_100000210904_100000189115 [0,2,0,0,0,0|1,1,0]=4 9977 B13R1.14 CC(CN)OCc1ccc(cc1)Cl 34a_100000210904_100000694040 [0,2,0,0,0,0|1,0,0]=3 9978 B13R1.14 CC(CN)OCc1ccc(cc1)F 34a_100000210904_100000198546 [0,2,0,0,0,0|1,1,0]=4 9979 B13R1.14 CC(CN)OCc1ccc(cc1)I 34a_100000210904_100000189116 [0,2,0,0,0,0|1,1,0]=4 9980 B13R1.14 CC(CN)OCc1ccc(cn1)Cl 34a_100000210904_100012066911 [0,2,0,0,0,0|2,0,0]=4 9981 B13R1.14 CC(CN)OCc1ccc(nc1)Cl 34a_100000210904_100000735431 [0,2,0,0,0,0|2,0,0]=4 9982 B13R1.14 CC(CO)NCc1ccc(cc1)Br 2230a_100000174875_100012180447 [0,2,0,0,0,0|1,1,0]=4 9983 B13R1.14 CC(CO)NCc1ccc(cc1)Br 34a_100000174875_100012180447 [0,2,0,0,0,0|1,1,0]=4 9984 B13R1.14 CC(CO)NCc1ccc(cc1)Cl 2230a_100000174871_100012180447 [0,2,0,0,0,0|1,0,0]=3 9985 B13R1.14 CC(CO)NCc1ccc(cc1)Cl 34a_100000174871_100012180447 [0,2,0,0,0,0|1,0,0]=3 9986 B13R1.14 CC(CO)NCc1ccc(cc1)F 2230a_100000174882_100012180447 [0,2,0,0,0,0|1,1,0]=4 9987 B13R1.14 CC(CO)NCc1ccc(cc1)F 34a_100000174882_100012180447 [0,2,0,0,0,0|1,1,0]=4 9988 B13R1.14 CC(CO)NCc1ccc(cc1)I 2230a_100016989417_100012180447 [0,2,0,0,0,0|1,1,0]=4 9989 B13R1.14 CC(CO)NCc1ccc(cc1)I 34a_100016989417_100012180447 [0,2,0,0,0,0|1,1,0]=4 9990 B13R1.14 CC(CO)NCc1ccc(cc1)O 34a_100000185549_100012180447 [0,2,0,0,0,0|2,0,0]=4 9991 B13R1.14 CC(CO)NCc1ccc(cn1)Cl 34a_100000697193_100012180447 [0,2,0,0,0,0|2,0,0]=4 9992 B13R1.14 CC(CO)NCc1ccc(nc1)Cl 2230a_100000735879_100012180447 [0,2,0,0,0,0|2,0,0]=4 9993 B13R1.14 CC(CO)NCc1ccc(nc1)Cl 34a_100000735879_100012180447 [0,2,0,0,0,0|2,0,0]=4 9994 B13R1.14 CC(CO)OCc1cc[n+](cc1)C 34a_100009831711_100012180447 [0,2,0,0,0,0|2,0,0]=4 9995 B13R1.14 CC(CO)OCc1cc[n+](cc1)[O-] 34a_100000031831_100012180447 [0,2,0,0,0,0|2,0,0]=4 9996 B13R1.14 CC(CO)OCc1cc[n+](cc1)[O-] 7a_100000031831_100012180447 [0,2,0,0,0,0|2,0,0]=4 9997 B13R1.14 CC(CO)OCc1ccc(=O)[nH]c1 34a_100011999846_100012180447 [0,2,0,0,0,0|2,0,0]=4 9998 B13R1.14 CC(CO)OCc1ccc(cc1)Br 34a_100000695286_100012180447 [0,2,0,0,0,0|0,1,0]=3 9999 B13R1.14 CC(CO)OCc1ccc(cc1)Cl 34a_100000211118_100012180447 [0,2,0,0,0,0|0,0,0]=2 10000 B13R1.14 CC(CO)OCc1ccc(cc1)Cl 7a_100000211118_100012180447 [0,2,0,0,0,0|0,0,0]=2 10001 B13R1.14 CC(CO)OCc1ccc(cc1)F 34a_100000210977_100012180447 [0,2,0,0,0,0|0,1,0]=3 10002 B13R1.14 CC(CO)OCc1ccc(cc1)F 7a_100000210977_100012180447 [0,2,0,0,0,0|0,1,0]=3 10003 B13R1.14 CC(CO)OCc1ccc(cc1)I 34a_100000690907_100012180447 [0,2,0,0,0,0|0,1,0]=3 10004 B13R1.14 CC(CO)OCc1ccc(cc1)I 7a_100000690907_100012180447 [0,2,0,0,0,0|0,1,0]=3 10005 B13R1.14 CC(CO)OCc1ccc(cc1)N 34a_100011215238_100012180447 [0,2,0,0,0,0|1,0,0]=3 10006 B13R1.14 CC(CO)OCc1ccc(cn1)Br 34a_100000754261_100012180447 [0,2,0,0,0,0|1,1,0]=4 10007 B13R1.14 CC(CO)OCc1ccc(cn1)Cl 34a_100000703999_100012180447 [0,2,0,0,0,0|1,0,0]=3 10008 B13R1.14 CC(CO)OCc1ccc(cn1)F 34a_100011999454_100012180447 [0,2,0,0,0,0|1,1,0]=4 10009 B13R1.14 CC(CO)OCc1ccc(cn1)N 34a_100011998161_100012180447 [0,2,0,0,0,0|2,0,0]=4 10010 B13R1.14 CC(CO)OCc1ccc(nc1)Br 34a_100009816760_100012180447 [0,2,0,0,0,0|1,1,0]=4 10011 B13R1.14 CC(CO)OCc1ccc(nc1)Br 7a_100009816760_100012180447 [0,2,0,0,0,0|1,1,0]=4 10012 B13R1.14 CC(CO)OCc1ccc(nc1)Cl 34a_100000755211_100012180447 [0,2,0,0,0,0|1,0,0]=3 10013 B13R1.14 CC(CO)OCc1ccc(nc1)Cl 7a_100000755211_100012180447 [0,2,0,0,0,0|1,0,0]=3 10014 B13R1.14 CC(CO)OCc1ccc(nc1)F 34a_100000079959_100012180447 [0,2,0,0,0,0|1,1,0]=4 10015 B13R1.14 CC(CO)OCc1ccc(nc1)N 34a_100000704267_100012180447 [0,2,0,0,0,0|2,0,0]=4 10016 B13R1.14 CC(CO)OCc1cnc(cn1)Cl 34a_100012002382_100012180447 [0,2,0,0,0,0|2,0,0]=4 10017 B13R1.14 CC(CO)OCc1cnc(nc1)Cl 34a_100009855073_100012180447 [0,2,0,0,0,0|2,0,0]=4 10018 B13R1.14 CC(CO)OCc1cnc(nc1)Cl 7a_100009855073_100012180447 [0,2,0,0,0,0|2,0,0]=4 10019 B13R1.14 CC(CO)SCc1ccc(cc1)Br 62a_100012180447_100000189115 [0,2,0,0,0,0|0,2,0]=4 10020 B13R1.14 CC(CO)SCc1ccc(cc1)Cl 62a_100012180447_100000187161 [0,2,0,0,0,0|0,1,0]=3 10021 B13R1.14 CC(CO)SCc1ccc(cc1)F 62a_100012180447_100000187164 [0,2,0,0,0,0|0,2,0]=4 10022 B13R1.14 CC(CO)SCc1ccc(cc1)I 62a_100012180447_100000189116 [0,2,0,0,0,0|0,2,0]=4 10023 B13R1.14 CC(CO)SCc1ccc(cn1)Cl 62a_100012180447_100000697101 [0,2,0,0,0,0|1,1,0]=4 10024 B13R1.14 CC(CO)SCc1ccc(nc1)Cl 62a_100012180447_100000735431 [0,2,0,0,0,0|1,1,0]=4 10025 B13R1.14 CCC(=O)CCc1ccc(cc1)Cl 1458a_100000210414_100011713675 [0,2,0,0,0,0|2,0,0]=4 10026 B13R1.14 CCC(=O)CCc1ccc(cc1)Cl 1458a_100000235379_100000210202 [0,2,0,0,0,0|2,0,0]=4 10027 B13R1.14 CCC(=O)COc1ccc(cc1)Br 1458a_100000182358_100000210202 [0,2,0,0,0,0|1,1,0]=4 10028 B13R1.14 CCC(=O)COc1ccc(cc1)Br 7a_100000185759_100000747405 [0,2,0,0,0,0|1,1,0]=4 10029 B13R1.14 CCC(=O)COc1ccc(cc1)C 1458a_100000182360_100000210202 [0,2,0,0,0,0|2,0,0]=4 10030 B13R1.14 CCC(=O)COc1ccc(cc1)C 7a_100000210336_100000747405 [0,2,0,0,0,0|2,0,0]=4 10031 B13R1.14 CCC(=O)COc1ccc(cc1)Cl 1458a_100016990877_100000210202 [0,2,0,0,0,0|1,0,0]=3 10032 B13R1.14 CCC(=O)COc1ccc(cc1)Cl 7a_100000210216_100000747405 [0,2,0,0,0,0|1,0,0]=3 10033 B13R1.14 CCC(=O)COc1ccc(cc1)F 1458a_100000184765_100000210202 [0,2,0,0,0,0|1,1,0]=4 10034 B13R1.14 CCC(=O)COc1ccc(cc1)I 1458a_100000184369_100000210202 [0,2,0,0,0,0|1,1,0]=4 10035 B13R1.14 CCC(=O)COc1ccc(cc1)I 7a_100000212066_100000747405 [0,2,0,0,0,0|1,1,0]=4 10036 B13R1.14 CCC(=O)COc1ccc(cc1)O 1458a_100000031633_100000210202 [0,2,0,0,0,0|2,0,0]=4 10037 B13R1.14 CCC(=O)COc1ccc(nc1)Cl 7a_100000744096_100000747405 [0,2,0,0,0,0|2,0,0]=4 10038 B13R1.14 CCC(=O)CSc1ccc(cc1)Cl 1458a_100000178402_100000210202 [0,2,0,0,0,0|1,1,0]=4 10039 B13R1.14 CCC(=O)CSc1ccc(cc1)Cl 62a_100000747405_100000755918 [0,2,0,0,0,0|1,1,0]=4 10040 B13R1.14 CCC(=O)CSc1ccc(cc1)Cl 62a_100000755918_100000747405 [0,2,0,0,0,0|1,1,0]=4 10041 B13R1.14 CCC(C)CNc1ccc(cc1)Cl 2230a_100000210052_100000748023 [0,2,0,0,0,0|2,0,0]=4 10042 B13R1.14 CCC(C)CNc1ccc(cc1)Cl 34a_100000210052_100000748023 [0,2,0,0,0,0|2,0,0]=4 10043 B13R1.14 CCC(C)COc1ccc(cc1)Br 34a_100000185759_100000748023 [0,2,0,0,0,0|1,1,0]=4 10044 B13R1.14 CCC(C)COc1ccc(cc1)Br 7a_100000185759_100000748023 [0,2,0,0,0,0|1,1,0]=4 10045 B13R1.14 CCC(C)COc1ccc(cc1)C 34a_100000210336_100000748023 [0,2,0,0,0,0|2,0,0]=4 10046 B13R1.14 CCC(C)COc1ccc(cc1)C 7a_100000210336_100000748023 [0,2,0,0,0,0|2,0,0]=4 10047 B13R1.14 CCC(C)COc1ccc(cc1)Cl 34a_100000210216_100000748023 [0,2,0,0,0,0|1,0,0]=3 10048 B13R1.14 CCC(C)COc1ccc(cc1)Cl 7a_100000210216_100000748023 [0,2,0,0,0,0|1,0,0]=3 10049 B13R1.14 CCC(C)COc1ccc(cc1)F 34a_100000210339_100000748023 [0,2,0,0,0,0|1,1,0]=4 10050 B13R1.14 CCC(C)COc1ccc(cc1)I 34a_100000212066_100000748023 [0,2,0,0,0,0|1,1,0]=4 10051 B13R1.14 CCC(C)COc1ccc(cc1)I 7a_100000212066_100000748023 [0,2,0,0,0,0|1,1,0]=4 10052 B13R1.14 CCC(C)COc1ccc(cc1)N 34a_100000185829_100000748023 [0,2,0,0,0,0|2,0,0]=4 10053 B13R1.14 CCC(C)COc1ccc(cn1)Cl 34a_100011215309_100000748023 [0,2,0,0,0,0|2,0,0]=4 10054 B13R1.14 CCC(C)COc1ccc(nc1)Cl 34a_100000744096_100000748023 [0,2,0,0,0,0|2,0,0]=4 10055 B13R1.14 CCC(C)COc1ccc(nc1)Cl 7a_100000744096_100000748023 [0,2,0,0,0,0|2,0,0]=4 10056 B13R1.14 CCC(C)CSc1ccc(cc1)Cl 62a_100000748023_100000755918 [0,2,0,0,0,0|1,1,0]=4 10057 B13R1.14 CCC(C)CSc1ccc(cc1)Cl 62a_100000755918_100000748023 [0,2,0,0,0,0|1,1,0]=4 10058 B13R1.14 CCC(C)NCc1ccc(cc1)Cl 207a_100000209981_100000189385 [0,2,0,0,0,0|2,0,0]=4 10059 B13R1.14 CCC(C)NCc1ccc(cc1)Cl 2230a_100000174871_100000758301 [0,2,0,0,0,0|2,0,0]=4 10060 B13R1.14 CCC(C)NCc1ccc(cc1)Cl 2230a_100000209981_100000694040 [0,2,0,0,0,0|2,0,0]=4 10061 B13R1.14 CCC(C)NCc1ccc(cc1)Cl 270004a_100000209981_100000189385 [0,2,0,0,0,0|2,0,0]=4 10062 B13R1.14 CCC(C)NCc1ccc(cc1)Cl 34a_100000174871_100011215416 [0,2,0,0,0,0|2,0,0]=4 10063 B13R1.14 CCC(C)OCc1ccc(cc1)Br 34a_100000695286_100011215416 [0,2,0,0,0,0|1,1,0]=4 10064 B13R1.14 CCC(C)OCc1ccc(cc1)Br 7a_100000210228_100011217064 [0,2,0,0,0,0|1,1,0]=4 10065 B13R1.14 CCC(C)OCc1ccc(cc1)C 34a_100011215236_100011215416 [0,2,0,0,0,0|2,0,0]=4 10066 B13R1.14 CCC(C)OCc1ccc(cc1)C 7a_100000210228_100000210814 [0,2,0,0,0,0|2,0,0]=4 10067 B13R1.14 CCC(C)OCc1ccc(cc1)C 7a_100011215236_100000758301 [0,2,0,0,0,0|2,0,0]=4 10068 B13R1.14 CCC(C)OCc1ccc(cc1)Cl 34a_100000211118_100011215416 [0,2,0,0,0,0|1,0,0]=3 10069 B13R1.14 CCC(C)OCc1ccc(cc1)Cl 7a_100000210228_100000187161 [0,2,0,0,0,0|1,0,0]=3 10070 B13R1.14 CCC(C)OCc1ccc(cc1)Cl 7a_100000211118_100000758301 [0,2,0,0,0,0|1,0,0]=3 10071 B13R1.14 CCC(C)OCc1ccc(cc1)F 34a_100000210977_100011215416 [0,2,0,0,0,0|1,1,0]=4 10072 B13R1.14 CCC(C)OCc1ccc(cc1)F 7a_100000210228_100000198546 [0,2,0,0,0,0|1,1,0]=4 10073 B13R1.14 CCC(C)OCc1ccc(cc1)F 7a_100000210977_100000758301 [0,2,0,0,0,0|1,1,0]=4 10074 B13R1.14 CCC(C)OCc1ccc(cc1)I 34a_100000690907_100011215416 [0,2,0,0,0,0|1,1,0]=4 10075 B13R1.14 CCC(C)OCc1ccc(cc1)I 7a_100000210228_100000189116 [0,2,0,0,0,0|1,1,0]=4 10076 B13R1.14 CCC(C)OCc1ccc(cc1)I 7a_100000690907_100000758301 [0,2,0,0,0,0|1,1,0]=4 10077 B13R1.14 CCC(C)OCc1ccc(cc1)N 34a_100011215238_100011215416 [0,2,0,0,0,0|2,0,0]=4 10078 B13R1.14 CCC(C)OCc1ccc(cn1)Cl 34a_100000703999_100011215416 [0,2,0,0,0,0|2,0,0]=4 10079 B13R1.14 CCC(C)OCc1ccc(cn1)Cl 7a_100000210228_100012066911 [0,2,0,0,0,0|2,0,0]=4 10080 B13R1.14 CCC(C)OCc1ccc(nc1)Cl 34a_100000755211_100011215416 [0,2,0,0,0,0|2,0,0]=4 10081 B13R1.14 CCC(C)OCc1ccc(nc1)Cl 7a_100000210228_100000735431 [0,2,0,0,0,0|2,0,0]=4 10082 B13R1.14 CCC(C)OCc1ccc(nc1)Cl 7a_100000755211_100000758301 [0,2,0,0,0,0|2,0,0]=4 10083 B13R1.14 CCC(C)SCc1ccc(cc1)Cl 62a_100000187161_100000758301 [0,2,0,0,0,0|1,1,0]=4 10084 B13R1.14 CCC(C)SCc1ccc(cc1)Cl 62a_100000758301_100000187161 [0,2,0,0,0,0|1,1,0]=4 10085 B13R1.14 CCC(O)CNc1ccc(cc1)Br 2230a_100000210018_100011218378 [0,2,0,0,0,0|1,1,0]=4 10086 B13R1.14 CCC(O)CNc1ccc(cc1)Br 34a_100000210018_100011218378 [0,2,0,0,0,0|1,1,0]=4 10087 B13R1.14 CCC(O)CNc1ccc(cc1)C 34a_100000124888_100011218378 [0,2,0,0,0,0|2,0,0]=4 10088 B13R1.14 CCC(O)CNc1ccc(cc1)Cl 2230a_100000210052_100011218378 [0,2,0,0,0,0|1,0,0]=3 10089 B13R1.14 CCC(O)CNc1ccc(cc1)Cl 34a_100000210052_100011218378 [0,2,0,0,0,0|1,0,0]=3 10090 B13R1.14 CCC(O)CNc1ccc(cc1)F 34a_100000185862_100011218378 [0,2,0,0,0,0|1,1,0]=4 10091 B13R1.14 CCC(O)CNc1ccc(cc1)I 34a_100000185761_100011218378 [0,2,0,0,0,0|1,1,0]=4 10092 B13R1.14 CCC(O)CNc1ccc(cc1)O 34a_100000185829_100011218378 [0,2,0,0,0,0|2,0,0]=4 10093 B13R1.14 CCC(O)COc1ccc(=O)[nH]c1 34a_100000075641_100011218378 [0,2,0,0,0,0|2,0,0]=4 10094 B13R1.14 CCC(O)COc1ccc(cc1)Br 34a_100000185759_100011218378 [0,2,0,0,0,0|0,1,0]=3 10095 B13R1.14 CCC(O)COc1ccc(cc1)Br 7a_100000185759_100011218378 [0,2,0,0,0,0|0,1,0]=3 10096 B13R1.14 CCC(O)COc1ccc(cc1)C 34a_100000210336_100011218378 [0,2,0,0,0,0|1,0,0]=3 10097 B13R1.14 CCC(O)COc1ccc(cc1)C 7a_100000210336_100011218378 [0,2,0,0,0,0|1,0,0]=3 10098 B13R1.14 CCC(O)COc1ccc(cc1)Cl 34a_100000210216_100011218378 [0,2,0,0,0,0|0,0,0]=2 10099 B13R1.14 CCC(O)COc1ccc(cc1)Cl 7a_100000210216_100011218378 [0,2,0,0,0,0|0,0,0]=2 10100 B13R1.14 CCC(O)COc1ccc(cc1)F 34a_100000210339_100011218378 [0,2,0,0,0,0|0,1,0]=3 10101 B13R1.14 CCC(O)COc1ccc(cc1)I 34a_100000212066_100011218378 [0,2,0,0,0,0|0,1,0]=3 10102 B13R1.14 CCC(O)COc1ccc(cc1)I 7a_100000212066_100011218378 [0,2,0,0,0,0|0,1,0]=3 10103 B13R1.14 CCC(O)COc1ccc(cc1)N 34a_100000185829_100011218378 [0,2,0,0,0,0|1,0,0]=3 10104 B13R1.14 CCC(O)COc1ccc(cn1)C 34a_100000759353_100011218378 [0,2,0,0,0,0|2,0,0]=4 10105 B13R1.14 CCC(O)COc1ccc(cn1)Cl 34a_100011215309_100011218378 [0,2,0,0,0,0|1,0,0]=3 10106 B13R1.14 CCC(O)COc1ccc(cn1)F 34a_100000742473_100011218378 [0,2,0,0,0,0|1,1,0]=4 10107 B13R1.14 CCC(O)COc1ccc(cn1)N 34a_100000729260_100011218378 [0,2,0,0,0,0|2,0,0]=4 10108 B13R1.14 CCC(O)COc1ccc(nc1)Br 34a_100000685995_100011218378 [0,2,0,0,0,0|1,1,0]=4 10109 B13R1.14 CCC(O)COc1ccc(nc1)Br 7a_100000685995_100011218378 [0,2,0,0,0,0|1,1,0]=4 10110 B13R1.14 CCC(O)COc1ccc(nc1)C 34a_100000745506_100011218378 [0,2,0,0,0,0|2,0,0]=4 10111 B13R1.14 CCC(O)COc1ccc(nc1)C 7a_100000745506_100011218378 [0,2,0,0,0,0|2,0,0]=4 10112 B13R1.14 CCC(O)COc1ccc(nc1)Cl 34a_100000744096_100011218378 [0,2,0,0,0,0|1,0,0]=3 10113 B13R1.14 CCC(O)COc1ccc(nc1)Cl 7a_100000744096_100011218378 [0,2,0,0,0,0|1,0,0]=3 10114 B13R1.14 CCC(O)COc1ccc(nc1)F 34a_100000688820_100011218378 [0,2,0,0,0,0|1,1,0]=4 10115 B13R1.14 CCC(O)COc1ccc(nc1)F 7a_100000688820_100011218378 [0,2,0,0,0,0|1,1,0]=4 10116 B13R1.14 CCC(O)COc1ccc(nc1)I 34a_100000687607_100011218378 [0,2,0,0,0,0|1,1,0]=4 10117 B13R1.14 CCC(O)COc1ccc(nc1)I 7a_100000687607_100011218378 [0,2,0,0,0,0|1,1,0]=4 10118 B13R1.14 CCC(O)COc1ccc(nc1)N 34a_100015188713_100011218378 [0,2,0,0,0,0|2,0,0]=4 10119 B13R1.14 CCC(O)COc1ccc(nc1)N 7a_100015188713_100011218378 [0,2,0,0,0,0|2,0,0]=4 10120 B13R1.14 CCC(O)COc1cnc(cn1)Cl 34a_100015839800_100011218378 [0,2,0,0,0,0|2,0,0]=4 10121 B13R1.14 CCC(O)COc1cnc(nc1)Cl 34a_100000092845_100011218378 [0,2,0,0,0,0|2,0,0]=4 10122 B13R1.14 CCC(O)COc1cnc(nc1)Cl 7a_100000092845_100011218378 [0,2,0,0,0,0|2,0,0]=4 10123 B13R1.14 CCC(O)CSc1ccc(cc1)Br 62a_100000752885_100011218378 [0,2,0,0,0,0|0,2,0]=4 10124 B13R1.14 CCC(O)CSc1ccc(cc1)Br 62a_100011218378_100000752885 [0,2,0,0,0,0|0,2,0]=4 10125 B13R1.14 CCC(O)CSc1ccc(cc1)C 62a_100000186775_100011218378 [0,2,0,0,0,0|1,1,0]=4 10126 B13R1.14 CCC(O)CSc1ccc(cc1)C 62a_100011218378_100000186775 [0,2,0,0,0,0|1,1,0]=4 10127 B13R1.14 CCC(O)CSc1ccc(cc1)Cl 62a_100000755918_100011218378 [0,2,0,0,0,0|0,1,0]=3 10128 B13R1.14 CCC(O)CSc1ccc(cc1)Cl 62a_100011218378_100000755918 [0,2,0,0,0,0|0,1,0]=3 10129 B13R1.14 CCC(O)CSc1ccc(cc1)F 62a_100000211213_100011218378 [0,2,0,0,0,0|0,2,0]=4 10130 B13R1.14 CCC(O)CSc1ccc(cc1)F 62a_100011218378_100000211213 [0,2,0,0,0,0|0,2,0]=4 10131 B13R1.14 CCC(O)CSc1ccc(cc1)N 62a_100000185761_100011218378 [0,2,0,0,0,0|1,1,0]=4 10132 B13R1.14 CCC(O)CSc1ccc(cc1)N 62a_100011218378_100000185761 [0,2,0,0,0,0|1,1,0]=4 10133 B13R1.14 CCC(O)CSc1ccc(cc1)O 62a_100011218378_100000185759 [0,2,0,0,0,0|1,1,0]=4 10134 B13R1.14 CCC(O)CSc1ccc(cn1)Cl 62a_100011218378_100011356976 [0,2,0,0,0,0|1,1,0]=4 10135 B13R1.14 CCC(O)CSc1ccc(cn1)Cl 62a_100011356976_100011218378 [0,2,0,0,0,0|1,1,0]=4 10136 B13R1.14 CCC(O)CSc1ccc(nc1)Cl 62a_100000034144_100011218378 [0,2,0,0,0,0|1,1,0]=4 10137 B13R1.14 CCC(O)CSc1ccc(nc1)Cl 62a_100011218378_100000034144 [0,2,0,0,0,0|1,1,0]=4 10138 B13R1.14 CCN(C)CCc1ccc(cc1)Cl 2230a_100000225621_100011713675 [0,2,0,0,0,0|2,0,0]=4 10139 B13R1.14 CCN(C)CCc1ccc(cc1)Cl 2230a_100000698262_100000210202 [0,2,0,0,0,0|2,0,0]=4 10140 B13R1.14 CCN(C)CCc1ccc(cc1)Cl 269982a_100000225621_100011713675 [0,2,0,0,0,0|2,0,0]=4 10141 B13R1.14 CCN(C)CCc1ccc(cc1)Cl 269982a_100000698262_100000204670 [0,2,0,0,0,0|2,0,0]=4 10142 B13R1.14 CCN(C)CCc1ccc(cc1)Cl 34a_100000698262_100000210202 [0,2,0,0,0,0|2,0,0]=4 10143 B13R1.14 CC[C@H](C)CNc1ccc(cc1)Cl 2230a_100000210052_100009816398 [0,2,0,0,0,0|2,0,0]=4 10144 B13R1.14 CC[C@H](C)CNc1ccc(cc1)Cl 34a_100000210052_100009816398 [0,2,0,0,0,0|2,0,0]=4 10145 B13R1.14 CC[C@H](C)COc1ccc(cc1)Br 34a_100000185759_100009816398 [0,2,0,0,0,0|1,1,0]=4 10146 B13R1.14 CC[C@H](C)COc1ccc(cc1)Br 7a_100000185759_100009816398 [0,2,0,0,0,0|1,1,0]=4 10147 B13R1.14 CC[C@H](C)COc1ccc(cc1)C 34a_100000210336_100009816398 [0,2,0,0,0,0|2,0,0]=4 10148 B13R1.14 CC[C@H](C)COc1ccc(cc1)C 7a_100000210336_100009816398 [0,2,0,0,0,0|2,0,0]=4 10149 B13R1.14 CC[C@H](C)COc1ccc(cc1)Cl 34a_100000210216_100009816398 [0,2,0,0,0,0|1,0,0]=3 10150 B13R1.14 CC[C@H](C)COc1ccc(cc1)Cl 7a_100000210216_100009816398 [0,2,0,0,0,0|1,0,0]=3 10151 B13R1.14 CC[C@H](C)COc1ccc(cc1)F 34a_100000210339_100009816398 [0,2,0,0,0,0|1,1,0]=4 10152 B13R1.14 CC[C@H](C)COc1ccc(cc1)I 34a_100000212066_100009816398 [0,2,0,0,0,0|1,1,0]=4 10153 B13R1.14 CC[C@H](C)COc1ccc(cc1)I 7a_100000212066_100009816398 [0,2,0,0,0,0|1,1,0]=4 10154 B13R1.14 CC[C@H](C)COc1ccc(cc1)N 34a_100000185829_100009816398 [0,2,0,0,0,0|2,0,0]=4 10155 B13R1.14 CC[C@H](C)COc1ccc(cn1)Cl 34a_100011215309_100009816398 [0,2,0,0,0,0|2,0,0]=4 10156 B13R1.14 CC[C@H](C)COc1ccc(nc1)Cl 34a_100000744096_100009816398 [0,2,0,0,0,0|2,0,0]=4 10157 B13R1.14 CC[C@H](C)COc1ccc(nc1)Cl 7a_100000744096_100009816398 [0,2,0,0,0,0|2,0,0]=4 10158 B13R1.14 CC[C@H](C)CSc1ccc(cc1)Cl 62a_100000755918_100009816398 [0,2,0,0,0,0|1,1,0]=4 10159 B13R1.14 CC[C@H](C)CSc1ccc(cc1)Cl 62a_100009816398_100000755918 [0,2,0,0,0,0|1,1,0]=4 10160 B13R1.14 CN(CF)CCc1ccc(cc1)Cl 269982a_100000698262_100015361967 [0,2,0,0,0,0|2,0,0]=4 10161 B13R1.14 CN(CF)CCc1ccc(cc1)Cl 34a_100000698262_100015361967 [0,2,0,0,0,0|2,0,0]=4 10162 B13R1.14 CNC(=O)COc1ccc(cc1)Cl 11a_106832991635_100016990877 [0,2,0,0,0,0|0,0,2]=4 10163 B13R1.14 CNC(=O)COc1ccc(cc1)Cl 1626a_100102657272_100016990877 [0,2,0,0,0,0|0,0,2]=4 10164 B13R1.14 CNC(=O)COc1ccc(cc1)Cl 240690a_100102657272_100016990877 [0,2,0,0,0,0|0,0,2]=4 10165 B13R1.14 CNC(=O)COc1ccc(cc1)Cl 34a_100000210216_100000183359 [0,2,0,0,0,0|0,0,2]=4 10166 B13R1.14 CNC(=O)COc1ccc(cc1)Cl 527a_100102657272_100016990877 [0,2,0,0,0,0|0,0,2]=4 10167 B13R1.14 CNC(=O)COc1ccc(cc1)Cl 7a_100000210216_100000183359 [0,2,0,0,0,0|0,0,2]=4 10168 B13R1.14 CNC(C)CCc1ccc(cc1)Cl 270004a_106832991635_100011279170 [0,2,0,0,0,0|2,0,0]=4 10169 B13R1.14 CNC(C)COc1ccc(cc1)C 2230a_100000743913_200000210301 [0,2,0,0,0,0|2,0,0]=4 10170 B13R1.14 CNC(C)COc1ccc(cc1)C 34a_100000743913_200000210301 [0,2,0,0,0,0|2,0,0]=4 10171 B13R1.14 CNC(C)COc1ccc(cc1)Cl 270004a_106832991635_200000150450 [0,2,0,0,0,0|1,0,0]=3 10172 B13R1.14 CNC(C)CSc1ccc(cc1)Cl 270004a_106832991635_100000150472 [0,2,0,0,0,0|1,1,0]=4 10173 B13R1.14 COC(=O)CNc1ccc(cc1)Cl 2230a_100000210052_100000747449 [0,2,0,0,0,0|1,0,1]=4 10174 B13R1.14 COC(=O)CNc1ccc(cc1)Cl 34a_100000210052_100000747449 [0,2,0,0,0,0|1,0,1]=4 10175 B13R1.14 COC(=O)COc1ccc(cc1)Br 34a_100000185759_100000747449 [0,2,0,0,0,0|0,1,1]=4 10176 B13R1.14 COC(=O)COc1ccc(cc1)Br 7a_100000185759_100000747449 [0,2,0,0,0,0|0,1,1]=4 10177 B13R1.14 COC(=O)COc1ccc(cc1)C 34a_100000210336_100000747449 [0,2,0,0,0,0|1,0,1]=4 10178 B13R1.14 COC(=O)COc1ccc(cc1)C 7a_100000210336_100000747449 [0,2,0,0,0,0|1,0,1]=4 10179 B13R1.14 COC(=O)COc1ccc(cc1)Cl 34a_100000210216_100000747449 [0,2,0,0,0,0|0,0,1]=3 10180 B13R1.14 COC(=O)COc1ccc(cc1)Cl 7a_100000210216_100000747449 [0,2,0,0,0,0|0,0,1]=3 10181 B13R1.14 COC(=O)COc1ccc(cc1)F 34a_100000210339_100000747449 [0,2,0,0,0,0|0,1,1]=4 10182 B13R1.14 COC(=O)COc1ccc(cc1)I 34a_100000212066_100000747449 [0,2,0,0,0,0|0,1,1]=4 10183 B13R1.14 COC(=O)COc1ccc(cc1)I 7a_100000212066_100000747449 [0,2,0,0,0,0|0,1,1]=4 10184 B13R1.14 COC(=O)COc1ccc(cc1)N 34a_100000185829_100000747449 [0,2,0,0,0,0|1,0,1]=4 10185 B13R1.14 COC(=O)COc1ccc(cc1)O 271570a_203496583355_100000149925 [0,2,0,0,0,0|1,0,1]=4 10186 B13R1.14 COC(=O)COc1ccc(cn1)Cl 34a_100011215309_100000747449 [0,2,0,0,0,0|1,0,1]=4 10187 B13R1.14 COC(=O)COc1ccc(nc1)Cl 34a_100000744096_100000747449 [0,2,0,0,0,0|1,0,1]=4 10188 B13R1.14 COC(=O)COc1ccc(nc1)Cl 7a_100000744096_100000747449 [0,2,0,0,0,0|1,0,1]=4 10189 B13R1.14 COC(=O)CSc1ccc(cc1)Cl 62a_100000747449_100000755918 [0,2,0,0,0,0|0,1,1]=4 10190 B13R1.14 COC(=O)CSc1ccc(cc1)Cl 62a_100000755918_100000747449 [0,2,0,0,0,0|0,1,1]=4 10191 B13R1.14 COC(C)COc1ccc(cc1)C 34a_100011217472_200000210301 [0,2,0,0,0,0|1,0,0]=3 10192 B13R1.14 COC(C)COc1ccc(cc1)C 7a_100011217472_200000210301 [0,2,0,0,0,0|1,0,0]=3 10193 B13R1.14 COC(C)SCc1ccc(cc1)Cl 62a_100000187161_100009879195 [0,2,0,0,0,0|2,0,0]=4 10194 B13R1.14 COC(C)SCc1ccc(cc1)Cl 62a_100009879195_100000187161 [0,2,0,0,0,0|2,0,0]=4 10195 B13R1.14 C[C@@H](CO)CNc1ccc(cc1)Br 2230a_100000210018_100000059175 [0,2,0,0,0,0|1,1,0]=4 10196 B13R1.14 C[C@@H](CO)CNc1ccc(cc1)Br 34a_100000210018_100000059175 [0,2,0,0,0,0|1,1,0]=4 10197 B13R1.14 C[C@@H](CO)CNc1ccc(cc1)Cl 2230a_100000210052_100000059175 [0,2,0,0,0,0|1,0,0]=3 10198 B13R1.14 C[C@@H](CO)CNc1ccc(cc1)Cl 34a_100000210052_100000059175 [0,2,0,0,0,0|1,0,0]=3 10199 B13R1.14 C[C@@H](CO)CNc1ccc(cc1)F 34a_100000185862_100000059175 [0,2,0,0,0,0|1,1,0]=4 10200 B13R1.14 C[C@@H](CO)CNc1ccc(cc1)I 34a_100000185761_100000059175 [0,2,0,0,0,0|1,1,0]=4 10201 B13R1.14 C[C@@H](CO)CNc1ccc(cc1)O 34a_100000185829_100000059175 [0,2,0,0,0,0|2,0,0]=4 10202 B13R1.14 C[C@@H](CO)COc1ccc(=O)[nH]c1 34a_100000075641_100000059175 [0,2,0,0,0,0|2,0,0]=4 10203 B13R1.14 C[C@@H](CO)COc1ccc(cc1)Br 34a_100000185759_100000059175 [0,2,0,0,0,0|0,1,0]=3 10204 B13R1.14 C[C@@H](CO)COc1ccc(cc1)Br 7a_100000185759_100000059175 [0,2,0,0,0,0|0,1,0]=3 10205 B13R1.14 C[C@@H](CO)COc1ccc(cc1)Cl 34a_100000210216_100000059175 [0,2,0,0,0,0|0,0,0]=2 10206 B13R1.14 C[C@@H](CO)COc1ccc(cc1)Cl 7a_100000210216_100000059175 [0,2,0,0,0,0|0,0,0]=2 10207 B13R1.14 C[C@@H](CO)COc1ccc(cc1)F 34a_100000210339_100000059175 [0,2,0,0,0,0|0,1,0]=3 10208 B13R1.14 C[C@@H](CO)COc1ccc(cc1)I 34a_100000212066_100000059175 [0,2,0,0,0,0|0,1,0]=3 10209 B13R1.14 C[C@@H](CO)COc1ccc(cc1)I 7a_100000212066_100000059175 [0,2,0,0,0,0|0,1,0]=3 10210 B13R1.14 C[C@@H](CO)COc1ccc(cc1)N 34a_100000185829_100000059175 [0,2,0,0,0,0|1,0,0]=3 10211 B13R1.14 C[C@@H](CO)COc1ccc(cn1)Cl 34a_100011215309_100000059175 [0,2,0,0,0,0|1,0,0]=3 10212 B13R1.14 C[C@@H](CO)COc1ccc(cn1)F 34a_100000742473_100000059175 [0,2,0,0,0,0|1,1,0]=4 10213 B13R1.14 C[C@@H](CO)COc1ccc(cn1)N 34a_100000729260_100000059175 [0,2,0,0,0,0|2,0,0]=4 10214 B13R1.14 C[C@@H](CO)COc1ccc(nc1)Br 34a_100000685995_100000059175 [0,2,0,0,0,0|1,1,0]=4 10215 B13R1.14 C[C@@H](CO)COc1ccc(nc1)Br 7a_100000685995_100000059175 [0,2,0,0,0,0|1,1,0]=4 10216 B13R1.14 C[C@@H](CO)COc1ccc(nc1)Cl 34a_100000744096_100000059175 [0,2,0,0,0,0|1,0,0]=3 10217 B13R1.14 C[C@@H](CO)COc1ccc(nc1)Cl 7a_100000744096_100000059175 [0,2,0,0,0,0|1,0,0]=3 10218 B13R1.14 C[C@@H](CO)COc1ccc(nc1)F 34a_100000688820_100000059175 [0,2,0,0,0,0|1,1,0]=4 10219 B13R1.14 C[C@@H](CO)COc1ccc(nc1)F 7a_100000688820_100000059175 [0,2,0,0,0,0|1,1,0]=4 10220 B13R1.14 C[C@@H](CO)COc1ccc(nc1)I 34a_100000687607_100000059175 [0,2,0,0,0,0|1,1,0]=4 10221 B13R1.14 C[C@@H](CO)COc1ccc(nc1)I 7a_100000687607_100000059175 [0,2,0,0,0,0|1,1,0]=4 10222 B13R1.14 C[C@@H](CO)COc1ccc(nc1)N 34a_100015188713_100000059175 [0,2,0,0,0,0|2,0,0]=4 10223 B13R1.14 C[C@@H](CO)COc1ccc(nc1)N 7a_100015188713_100000059175 [0,2,0,0,0,0|2,0,0]=4 10224 B13R1.14 C[C@@H](CO)COc1cnc(cn1)Cl 34a_100015839800_100000059175 [0,2,0,0,0,0|2,0,0]=4 10225 B13R1.14 C[C@@H](CO)COc1cnc(nc1)Cl 34a_100000092845_100000059175 [0,2,0,0,0,0|2,0,0]=4 10226 B13R1.14 C[C@@H](CO)COc1cnc(nc1)Cl 7a_100000092845_100000059175 [0,2,0,0,0,0|2,0,0]=4 10227 B13R1.14 C[C@@H](CO)CSc1ccc(cc1)Br 62a_100000059175_100000752885 [0,2,0,0,0,0|0,2,0]=4 10228 B13R1.14 C[C@@H](CO)CSc1ccc(cc1)Br 62a_100000752885_100000059175 [0,2,0,0,0,0|0,2,0]=4 10229 B13R1.14 C[C@@H](CO)CSc1ccc(cc1)Cl 62a_100000059175_100000755918 [0,2,0,0,0,0|0,1,0]=3 10230 B13R1.14 C[C@@H](CO)CSc1ccc(cc1)Cl 62a_100000755918_100000059175 [0,2,0,0,0,0|0,1,0]=3 10231 B13R1.14 C[C@@H](CO)CSc1ccc(cc1)F 62a_100000059175_100000211213 [0,2,0,0,0,0|0,2,0]=4 10232 B13R1.14 C[C@@H](CO)CSc1ccc(cc1)F 62a_100000211213_100000059175 [0,2,0,0,0,0|0,2,0]=4 10233 B13R1.14 C[C@@H](CO)CSc1ccc(cc1)N 62a_100000059175_100000185761 [0,2,0,0,0,0|1,1,0]=4 10234 B13R1.14 C[C@@H](CO)CSc1ccc(cc1)N 62a_100000185761_100000059175 [0,2,0,0,0,0|1,1,0]=4 10235 B13R1.14 C[C@@H](CO)CSc1ccc(cc1)O 62a_100000059175_100000185759 [0,2,0,0,0,0|1,1,0]=4 10236 B13R1.14 C[C@@H](CO)CSc1ccc(cn1)Cl 62a_100000059175_100011356976 [0,2,0,0,0,0|1,1,0]=4 10237 B13R1.14 C[C@@H](CO)CSc1ccc(cn1)Cl 62a_100011356976_100000059175 [0,2,0,0,0,0|1,1,0]=4 10238 B13R1.14 C[C@@H](CO)CSc1ccc(nc1)Cl 62a_100000034144_100000059175 [0,2,0,0,0,0|1,1,0]=4 10239 B13R1.14 C[C@@H](CO)CSc1ccc(nc1)Cl 62a_100000059175_100000034144 [0,2,0,0,0,0|1,1,0]=4 10240 B13R1.14 C[C@H](CF)NCc1ccc(cc1)Cl 207a_100102880703_100000189385 [0,2,0,0,0,0|2,0,0]=4 10241 B13R1.14 C[C@H](CF)NCc1ccc(cc1)Cl 270004a_100102880703_100000189385 [0,2,0,0,0,0|2,0,0]=4 10242 B13R1.14 C[C@H](CO)NCc1ccc(cc1)Br 207a_100000737577_100000186029 [0,2,0,0,0,0|1,1,0]=4 10243 B13R1.14 C[C@H](CO)NCc1ccc(cc1)Br 2230a_100000737577_100011217064 [0,2,0,0,0,0|1,1,0]=4 10244 B13R1.14 C[C@H](CO)NCc1ccc(cc1)Br 270004a_100000737577_100000186029 [0,2,0,0,0,0|1,1,0]=4 10245 B13R1.14 C[C@H](CO)NCc1ccc(cc1)Cl 207a_100000737577_100000189385 [0,2,0,0,0,0|1,0,0]=3 10246 B13R1.14 C[C@H](CO)NCc1ccc(cc1)Cl 2230a_100000737577_100000694040 [0,2,0,0,0,0|1,0,0]=3 10247 B13R1.14 C[C@H](CO)NCc1ccc(cc1)Cl 270004a_100000737577_100000189385 [0,2,0,0,0,0|1,0,0]=3 10248 B13R1.14 C[C@H](CO)NCc1ccc(cc1)F 207a_100000737577_100000210084 [0,2,0,0,0,0|1,1,0]=4 10249 B13R1.14 C[C@H](CO)NCc1ccc(cc1)F 2230a_100000737577_100000198546 [0,2,0,0,0,0|1,1,0]=4 10250 B13R1.14 C[C@H](CO)NCc1ccc(cc1)F 270004a_100000737577_100000210084 [0,2,0,0,0,0|1,1,0]=4 10251 B13R1.14 C[C@H](CO)NCc1ccc(cc1)I 207a_100000737577_100000188517 [0,2,0,0,0,0|1,1,0]=4 10252 B13R1.14 C[C@H](CO)NCc1ccc(cc1)I 2230a_100000737577_100000189116 [0,2,0,0,0,0|1,1,0]=4 10253 B13R1.14 C[C@H](CO)NCc1ccc(cn1)Cl 207a_100000737577_100011361569 [0,2,0,0,0,0|2,0,0]=4 10254 B13R1.14 C[C@H](CO)NCc1ccc(cn1)Cl 2230a_100000737577_100012066911 [0,2,0,0,0,0|2,0,0]=4 10255 B13R1.14 C[C@H](CO)NCc1ccc(cn1)Cl 270004a_100000737577_100011361569 [0,2,0,0,0,0|2,0,0]=4 10256 B13R1.14 C[C@H](CO)NCc1ccc(nc1)Cl 2230a_100000737577_100000735431 [0,2,0,0,0,0|2,0,0]=4 10257 B13R1.14 C[C@H](CO)SCc1ccc(cc1)Br 62a_100000189115_100016084084 [0,2,0,0,0,0|0,2,0]=4 10258 B13R1.14 C[C@H](CO)SCc1ccc(cc1)Br 62a_100016084084_100000189115 [0,2,0,0,0,0|0,2,0]=4 10259 B13R1.14 C[C@H](CO)SCc1ccc(cc1)Cl 62a_100000187161_100016084084 [0,2,0,0,0,0|0,1,0]=3 10260 B13R1.14 C[C@H](CO)SCc1ccc(cc1)Cl 62a_100016084084_100000187161 [0,2,0,0,0,0|0,1,0]=3 10261 B13R1.14 C[C@H](CO)SCc1ccc(cc1)F 62a_100000198546_100016084084 [0,2,0,0,0,0|0,2,0]=4 10262 B13R1.14 C[C@H](CO)SCc1ccc(cc1)F 62a_100016084084_100000187164 [0,2,0,0,0,0|0,2,0]=4 10263 B13R1.14 C[C@H](CO)SCc1ccc(cc1)I 62a_100000189116_100016084084 [0,2,0,0,0,0|0,2,0]=4 10264 B13R1.14 C[C@H](CO)SCc1ccc(cc1)I 62a_100016084084_100000189116 [0,2,0,0,0,0|0,2,0]=4 10265 B13R1.14 C[C@H](CO)SCc1ccc(cn1)Cl 62a_100012066911_100016084084 [0,2,0,0,0,0|1,1,0]=4 10266 B13R1.14 C[C@H](CO)SCc1ccc(cn1)Cl 62a_100016084084_100000697101 [0,2,0,0,0,0|1,1,0]=4 10267 B13R1.14 C[C@H](CO)SCc1ccc(nc1)Cl 62a_100000735431_100016084084 [0,2,0,0,0,0|1,1,0]=4 10268 B13R1.14 C[C@H](CO)SCc1ccc(nc1)Cl 62a_100016084084_100000735431 [0,2,0,0,0,0|1,1,0]=4 10269 B13R1.14 Cc1ccc(cc1)CCC(=O)CO 1458a_100000210174_100011713686 [0,2,0,0,0,0|2,0,0]=4 10270 B13R1.14 Cc1ccc(cc1)CNC(C)CO 2230a_100000174908_100012180447 [0,2,0,0,0,0|2,0,0]=4 10271 B13R1.14 Cc1ccc(cc1)CNC(C)CO 34a_100000174908_100012180447 [0,2,0,0,0,0|2,0,0]=4 10272 B13R1.14 Cc1ccc(cc1)CN[C@H](C)CO 207a_100000737577_100000211033 [0,2,0,0,0,0|2,0,0]=4 10273 B13R1.14 Cc1ccc(cc1)CN[C@H](C)CO 2230a_100000737577_100000210814 [0,2,0,0,0,0|2,0,0]=4 10274 B13R1.14 Cc1ccc(cc1)CN[C@H](C)CO 270004a_100000737577_100000211033 [0,2,0,0,0,0|2,0,0]=4 10275 B13R1.14 Cc1ccc(cc1)COC(C)CF 34a_100016041109_100000210814 [0,2,0,0,0,0|2,0,0]=4 10276 B13R1.14 Cc1ccc(cc1)COC(C)CF 7a_100016041109_100000210814 [0,2,0,0,0,0|2,0,0]=4 10277 B13R1.14 Cc1ccc(cc1)COC(C)CN 34a_100000210904_100000210814 [0,2,0,0,0,0|2,0,0]=4 10278 B13R1.14 Cc1ccc(cc1)COC(C)CO 34a_100011215236_100012180447 [0,2,0,0,0,0|1,0,0]=3 10279 B13R1.14 Cc1ccc(cc1)COC(C)CO 7a_100011215236_100012180447 [0,2,0,0,0,0|1,0,0]=3 10280 B13R1.14 Cc1ccc(cc1)CSC(C)CO 62a_100012180447_100000210814 [0,2,0,0,0,0|1,1,0]=4 10281 B13R1.14 Cc1ccc(cc1)CS[C@H](C)CO 62a_100000210814_100016084084 [0,2,0,0,0,0|1,1,0]=4 10282 B13R1.14 Cc1ccc(cc1)CS[C@H](C)CO 62a_100016084084_100000210814 [0,2,0,0,0,0|1,1,0]=4 10283 B13R1.14 Cc1ccc(cc1)NCC(O)CO 34a_100000124888_100011219619 [0,2,0,0,0,0|2,0,0]=4 10284 B13R1.14 Cc1ccc(cc1)NC[C@@H](C)CO 34a_100000124888_100000059175 [0,2,0,0,0,0|2,0,0]=4 10285 B13R1.14 Cc1ccc(cc1)NC[C@@H](O)CF 34a_100000124888_100015614560 [0,2,0,0,0,0|2,0,0]=4 10286 B13R1.14 Cc1ccc(cc1)NC[C@@H](O)CO 34a_100000124888_100009815848 [0,2,0,0,0,0|2,0,0]=4 10287 B13R1.14 Cc1ccc(cc1)OCC(=O)CF 1458a_100000182360_100015361967 [0,2,0,0,0,0|2,0,0]=4 10288 B13R1.14 Cc1ccc(cc1)OCC(C)N[13CH3] 2230a_100000743913_200025704644 [0,2,0,0,0,0|2,0,0]=4 10289 B13R1.14 Cc1ccc(cc1)OCC(C)N[13CH3] 34a_100000743913_200025704644 [0,2,0,0,0,0|2,0,0]=4 10290 B13R1.14 Cc1ccc(cc1)OCC(C)O[13CH3] 34a_100011217472_200025704644 [0,2,0,0,0,0|1,0,0]=3 10291 B13R1.14 Cc1ccc(cc1)OCC(C)O[13CH3] 7a_100011217472_200025704644 [0,2,0,0,0,0|1,0,0]=3 10292 B13R1.14 Cc1ccc(cc1)OCC(O)CO 34a_100000210336_100011219619 [0,2,0,0,0,0|1,0,0]=3 10293 B13R1.14 Cc1ccc(cc1)OCC(O)CO 7a_100000210336_100011219619 [0,2,0,0,0,0|1,0,0]=3 10294 B13R1.14 Cc1ccc(cc1)OC[C@@H](C)CO 34a_100000210336_100000059175 [0,2,0,0,0,0|1,0,0]=3 10295 B13R1.14 Cc1ccc(cc1)OC[C@@H](C)CO 7a_100000210336_100000059175 [0,2,0,0,0,0|1,0,0]=3 10296 B13R1.14 Cc1ccc(cc1)OC[C@@H](O)CF 34a_100000210336_100015614560 [0,2,0,0,0,0|1,0,0]=3 10297 B13R1.14 Cc1ccc(cc1)OC[C@@H](O)CF 7a_100000210336_100015614560 [0,2,0,0,0,0|1,0,0]=3 10298 B13R1.14 Cc1ccc(cc1)OC[C@@H](O)CO 34a_100000210336_100009815848 [0,2,0,0,0,0|1,0,0]=3 10299 B13R1.14 Cc1ccc(cc1)OC[C@@H](O)CO 7a_100000210336_100009815848 [0,2,0,0,0,0|1,0,0]=3 10300 B13R1.14 Cc1ccc(cc1)SCC(O)CO 62a_100000186775_100011219619 [0,2,0,0,0,0|1,1,0]=4 10301 B13R1.14 Cc1ccc(cc1)SCC(O)CO 62a_100011219619_100000186775 [0,2,0,0,0,0|1,1,0]=4 10302 B13R1.14 Cc1ccc(cc1)SC[C@@H](C)CO 62a_100000059175_100000186775 [0,2,0,0,0,0|1,1,0]=4 10303 B13R1.14 Cc1ccc(cc1)SC[C@@H](C)CO 62a_100000186775_100000059175 [0,2,0,0,0,0|1,1,0]=4 10304 B13R1.14 Cc1ccc(cc1)SC[C@@H](O)CF 62a_100000186775_100015614560 [0,2,0,0,0,0|1,1,0]=4 10305 B13R1.14 Cc1ccc(cc1)SC[C@@H](O)CF 62a_100015614560_100000186775 [0,2,0,0,0,0|1,1,0]=4 10306 B13R1.14 Cc1ccc(cc1)SC[C@@H](O)CO 62a_100000186775_100009815848 [0,2,0,0,0,0|1,1,0]=4 10307 B13R1.14 Cc1ccc(cc1)SC[C@@H](O)CO 62a_100009815848_100000186775 [0,2,0,0,0,0|1,1,0]=4 10308 B13R1.14 Cc1ccc(cn1)COC(C)CO 34a_100011248133_100012180447 [0,2,0,0,0,0|2,0,0]=4 10309 B13R1.14 Cc1ccc(cn1)OCC(O)CO 34a_100000745506_100011219619 [0,2,0,0,0,0|2,0,0]=4 10310 B13R1.14 Cc1ccc(cn1)OCC(O)CO 7a_100000745506_100011219619 [0,2,0,0,0,0|2,0,0]=4 10311 B13R1.14 Cc1ccc(cn1)OC[C@@H](C)CO 34a_100000745506_100000059175 [0,2,0,0,0,0|2,0,0]=4 10312 B13R1.14 Cc1ccc(cn1)OC[C@@H](C)CO 7a_100000745506_100000059175 [0,2,0,0,0,0|2,0,0]=4 10313 B13R1.14 Cc1ccc(cn1)OC[C@@H](O)CF 34a_100000745506_100015614560 [0,2,0,0,0,0|2,0,0]=4 10314 B13R1.14 Cc1ccc(cn1)OC[C@@H](O)CF 7a_100000745506_100015614560 [0,2,0,0,0,0|2,0,0]=4 10315 B13R1.14 Cc1ccc(cn1)OC[C@@H](O)CO 34a_100000745506_100009815848 [0,2,0,0,0,0|2,0,0]=4 10316 B13R1.14 Cc1ccc(cn1)OC[C@@H](O)CO 7a_100000745506_100009815848 [0,2,0,0,0,0|2,0,0]=4 10317 B13R1.14 Cc1ccc(nc1)COC(C)CO 34a_100012001401_100012180447 [0,2,0,0,0,0|2,0,0]=4 10318 B13R1.14 Cc1ccc(nc1)OCC(O)CO 34a_100000759353_100011219619 [0,2,0,0,0,0|2,0,0]=4 10319 B13R1.14 Cc1ccc(nc1)OC[C@@H](C)CO 34a_100000759353_100000059175 [0,2,0,0,0,0|2,0,0]=4 10320 B13R1.14 Cc1ccc(nc1)OC[C@@H](O)CF 34a_100000759353_100015614560 [0,2,0,0,0,0|2,0,0]=4 10321 B13R1.14 Cc1ccc(nc1)OC[C@@H](O)CO 34a_100000759353_100009815848 [0,2,0,0,0,0|2,0,0]=4 10322 B13R1.14 Nc1ccc(cc1)OCC(O)CO 34a_100000185829_100011219619 [0,2,0,0,0,0|1,0,0]=3 10323 B13R1.14 Nc1ccc(cc1)OC[C@@H](O)CF 34a_100000185829_100015614560 [0,2,0,0,0,0|1,0,0]=3 10324 B13R1.14 Nc1ccc(cc1)OC[C@@H](O)CO 34a_100000185829_100009815848 [0,2,0,0,0,0|1,0,0]=3 10325 B13R1.14 Nc1ccc(cc1)SCC(O)CO 62a_100000185761_100011219619 [0,2,0,0,0,0|1,1,0]=4 10326 B13R1.14 Nc1ccc(cc1)SCC(O)CO 62a_100011219619_100000185761 [0,2,0,0,0,0|1,1,0]=4 10327 B13R1.14 Nc1ccc(cc1)SC[C@@H](O)CF 62a_100000185761_100015614560 [0,2,0,0,0,0|1,1,0]=4 10328 B13R1.14 Nc1ccc(cc1)SC[C@@H](O)CF 62a_100015614560_100000185761 [0,2,0,0,0,0|1,1,0]=4 10329 B13R1.14 Nc1ccc(cc1)SC[C@@H](O)CO 62a_100000185761_100009815848 [0,2,0,0,0,0|1,1,0]=4 10330 B13R1.14 Nc1ccc(cc1)SC[C@@H](O)CO 62a_100009815848_100000185761 [0,2,0,0,0,0|1,1,0]=4 10331 B13R1.14 Nc1ccc(cn1)OCC(O)CO 34a_100015188713_100011219619 [0,2,0,0,0,0|2,0,0]=4 10332 B13R1.14 Nc1ccc(cn1)OCC(O)CO 7a_100015188713_100011219619 [0,2,0,0,0,0|2,0,0]=4 10333 B13R1.14 Nc1ccc(cn1)OC[C@@H](O)CF 34a_100015188713_100015614560 [0,2,0,0,0,0|2,0,0]=4 10334 B13R1.14 Nc1ccc(cn1)OC[C@@H](O)CF 7a_100015188713_100015614560 [0,2,0,0,0,0|2,0,0]=4 10335 B13R1.14 Nc1ccc(cn1)OC[C@@H](O)CO 34a_100015188713_100009815848 [0,2,0,0,0,0|2,0,0]=4 10336 B13R1.14 Nc1ccc(cn1)OC[C@@H](O)CO 7a_100015188713_100009815848 [0,2,0,0,0,0|2,0,0]=4 10337 B13R1.14 Nc1ccc(nc1)OCC(O)CO 34a_100000729260_100011219619 [0,2,0,0,0,0|2,0,0]=4 10338 B13R1.14 Nc1ccc(nc1)OC[C@@H](O)CF 34a_100000729260_100015614560 [0,2,0,0,0,0|2,0,0]=4 10339 B13R1.14 Nc1ccc(nc1)OC[C@@H](O)CO 34a_100000729260_100009815848 [0,2,0,0,0,0|2,0,0]=4 10340 B13R1.14 O=C(CF)CCc1ccc(cc1)Cl 1458a_100000235379_100015361967 [0,2,0,0,0,0|2,0,0]=4 10341 B13R1.14 O=C(CF)COc1ccc(cc1)Br 1458a_100000182358_100015361967 [0,2,0,0,0,0|1,1,0]=4 10342 B13R1.14 O=C(CF)COc1ccc(cc1)Cl 1458a_100016990877_100015361967 [0,2,0,0,0,0|1,0,0]=3 10343 B13R1.14 O=C(CF)COc1ccc(cc1)F 1458a_100000184765_100015361967 [0,2,0,0,0,0|1,1,0]=4 10344 B13R1.14 O=C(CF)COc1ccc(cc1)I 1458a_100000184369_100015361967 [0,2,0,0,0,0|1,1,0]=4 10345 B13R1.14 O=C(CF)COc1ccc(cc1)O 1458a_100000031633_100015361967 [0,2,0,0,0,0|2,0,0]=4 10346 B13R1.14 O=C(CF)CSc1ccc(cc1)Cl 1458a_100000178402_100015361967 [0,2,0,0,0,0|1,1,0]=4 10347 B13R1.14 O=C(CO)CCc1ccc(cc1)Br 1458a_100000210174_100011740612 [0,2,0,0,0,0|1,1,0]=4 10348 B13R1.14 O=C(CO)CCc1ccc(cc1)Cl 1458a_100000210174_100011713675 [0,2,0,0,0,0|1,0,0]=3 10349 B13R1.14 O=C(CO)CCc1ccc(cc1)F 1458a_100000210174_100011217392 [0,2,0,0,0,0|1,1,0]=4 10350 B13R1.14 O=C(CO)CCc1ccc(cc1)O 1458a_100000210174_100009816426 [0,2,0,0,0,0|2,0,0]=4 10351 B13R1.14 O=C(CO)NCc1ccc(cc1)Cl 240690a_100000174871_100000210174 [0,2,0,0,0,0|1,0,1]=4 10352 B13R1.14 O=C(CO)NCc1ccc(cc1)Cl 527a_100000174871_100000210174 [0,2,0,0,0,0|1,0,1]=4 10353 B13R1.14 O=C(CO)NNc1ccc(cc1)Cl 22a_100000683521_100000210174 [0,2,0,0,0,0|1,0,1]=4 10354 B13R1.14 O=c1ccc(c[nH]1)OCC(O)CO 34a_100000075641_100011219619 [0,2,0,0,0,0|2,0,0]=4 10355 B13R1.14 O=c1ccc(c[nH]1)OC[C@@H](O)CF 34a_100000075641_100015614560 [0,2,0,0,0,0|2,0,0]=4 10356 B13R1.14 O=c1ccc(c[nH]1)OC[C@@H](O)CO 34a_100000075641_100009815848 [0,2,0,0,0,0|2,0,0]=4 10357 B13R1.14 OCC(O)CNc1ccc(cc1)Br 2230a_100000210018_100011219619 [0,2,0,0,0,0|1,1,0]=4 10358 B13R1.14 OCC(O)CNc1ccc(cc1)Br 34a_100000210018_100011219619 [0,2,0,0,0,0|1,1,0]=4 10359 B13R1.14 OCC(O)CNc1ccc(cc1)Cl 2230a_100000210052_100011219619 [0,2,0,0,0,0|1,0,0]=3 10360 B13R1.14 OCC(O)CNc1ccc(cc1)Cl 34a_100000210052_100011219619 [0,2,0,0,0,0|1,0,0]=3 10361 B13R1.14 OCC(O)CNc1ccc(cc1)F 34a_100000185862_100011219619 [0,2,0,0,0,0|1,1,0]=4 10362 B13R1.14 OCC(O)CNc1ccc(cc1)I 34a_100000185761_100011219619 [0,2,0,0,0,0|1,1,0]=4 10363 B13R1.14 OCC(O)CNc1ccc(cc1)O 34a_100000185829_100011219619 [0,2,0,0,0,0|2,0,0]=4 10364 B13R1.14 OCC(O)COc1ccc(cc1)Br 34a_100000185759_100011219619 [0,2,0,0,0,0|0,1,0]=3 10365 B13R1.14 OCC(O)COc1ccc(cc1)Br 7a_100000185759_100011219619 [0,2,0,0,0,0|0,1,0]=3 10366 B13R1.14 OCC(O)COc1ccc(cc1)Cl 34a_100000210216_100011219619 [0,2,0,0,0,0|0,0,0]=2 10367 B13R1.14 OCC(O)COc1ccc(cc1)Cl 7a_100000210216_100011219619 [0,2,0,0,0,0|0,0,0]=2 10368 B13R1.14 OCC(O)COc1ccc(cc1)F 34a_100000210339_100011219619 [0,2,0,0,0,0|0,1,0]=3 10369 B13R1.14 OCC(O)COc1ccc(cc1)I 34a_100000212066_100011219619 [0,2,0,0,0,0|0,1,0]=3 10370 B13R1.14 OCC(O)COc1ccc(cc1)I 7a_100000212066_100011219619 [0,2,0,0,0,0|0,1,0]=3 10371 B13R1.14 OCC(O)COc1ccc(cn1)Cl 34a_100011215309_100011219619 [0,2,0,0,0,0|1,0,0]=3 10372 B13R1.14 OCC(O)COc1ccc(cn1)F 34a_100000742473_100011219619 [0,2,0,0,0,0|1,1,0]=4 10373 B13R1.14 OCC(O)COc1ccc(nc1)Br 34a_100000685995_100011219619 [0,2,0,0,0,0|1,1,0]=4 10374 B13R1.14 OCC(O)COc1ccc(nc1)Br 7a_100000685995_100011219619 [0,2,0,0,0,0|1,1,0]=4 10375 B13R1.14 OCC(O)COc1ccc(nc1)Cl 34a_100000744096_100011219619 [0,2,0,0,0,0|1,0,0]=3 10376 B13R1.14 OCC(O)COc1ccc(nc1)Cl 7a_100000744096_100011219619 [0,2,0,0,0,0|1,0,0]=3 10377 B13R1.14 OCC(O)COc1ccc(nc1)F 34a_100000688820_100011219619 [0,2,0,0,0,0|1,1,0]=4 10378 B13R1.14 OCC(O)COc1ccc(nc1)F 7a_100000688820_100011219619 [0,2,0,0,0,0|1,1,0]=4 10379 B13R1.14 OCC(O)COc1ccc(nc1)I 34a_100000687607_100011219619 [0,2,0,0,0,0|1,1,0]=4 10380 B13R1.14 OCC(O)COc1ccc(nc1)I 7a_100000687607_100011219619 [0,2,0,0,0,0|1,1,0]=4 10381 B13R1.14 OCC(O)COc1cnc(cn1)Cl 34a_100015839800_100011219619 [0,2,0,0,0,0|2,0,0]=4 10382 B13R1.14 OCC(O)COc1cnc(nc1)Cl 34a_100000092845_100011219619 [0,2,0,0,0,0|2,0,0]=4 10383 B13R1.14 OCC(O)COc1cnc(nc1)Cl 7a_100000092845_100011219619 [0,2,0,0,0,0|2,0,0]=4 10384 B13R1.14 OCC(O)CSc1ccc(cc1)Br 62a_100000752885_100011219619 [0,2,0,0,0,0|0,2,0]=4 10385 B13R1.14 OCC(O)CSc1ccc(cc1)Br 62a_100011219619_100000752885 [0,2,0,0,0,0|0,2,0]=4 10386 B13R1.14 OCC(O)CSc1ccc(cc1)Cl 62a_100000755918_100011219619 [0,2,0,0,0,0|0,1,0]=3 10387 B13R1.14 OCC(O)CSc1ccc(cc1)Cl 62a_100011219619_100000755918 [0,2,0,0,0,0|0,1,0]=3 10388 B13R1.14 OCC(O)CSc1ccc(cc1)F 62a_100000211213_100011219619 [0,2,0,0,0,0|0,2,0]=4 10389 B13R1.14 OCC(O)CSc1ccc(cc1)F 62a_100011219619_100000211213 [0,2,0,0,0,0|0,2,0]=4 10390 B13R1.14 OCC(O)CSc1ccc(cc1)O 62a_100011219619_100000185759 [0,2,0,0,0,0|1,1,0]=4 10391 B13R1.14 OCC(O)CSc1ccc(cn1)Cl 62a_100011219619_100011356976 [0,2,0,0,0,0|1,1,0]=4 10392 B13R1.14 OCC(O)CSc1ccc(cn1)Cl 62a_100011356976_100011219619 [0,2,0,0,0,0|1,1,0]=4 10393 B13R1.14 OCC(O)CSc1ccc(nc1)Cl 62a_100000034144_100011219619 [0,2,0,0,0,0|1,1,0]=4 10394 B13R1.14 OCC(O)CSc1ccc(nc1)Cl 62a_100011219619_100000034144 [0,2,0,0,0,0|1,1,0]=4 10395 B13R1.14 OC[C@H](O)CNc1ccc(cc1)Br 2230a_100000210018_100009815848 [0,2,0,0,0,0|1,1,0]=4 10396 B13R1.14 OC[C@H](O)CNc1ccc(cc1)Br 34a_100000210018_100009815848 [0,2,0,0,0,0|1,1,0]=4 10397 B13R1.14 OC[C@H](O)CNc1ccc(cc1)Cl 2230a_100000210052_100009815848 [0,2,0,0,0,0|1,0,0]=3 10398 B13R1.14 OC[C@H](O)CNc1ccc(cc1)Cl 34a_100000210052_100009815848 [0,2,0,0,0,0|1,0,0]=3 10399 B13R1.14 OC[C@H](O)CNc1ccc(cc1)F 34a_100000185862_100009815848 [0,2,0,0,0,0|1,1,0]=4 10400 B13R1.14 OC[C@H](O)CNc1ccc(cc1)I 34a_100000185761_100009815848 [0,2,0,0,0,0|1,1,0]=4 10401 B13R1.14 OC[C@H](O)CNc1ccc(cc1)O 34a_100000185829_100009815848 [0,2,0,0,0,0|2,0,0]=4 10402 B13R1.14 OC[C@H](O)COc1ccc(cc1)Br 34a_100000185759_100009815848 [0,2,0,0,0,0|0,1,0]=3 10403 B13R1.14 OC[C@H](O)COc1ccc(cc1)Br 7a_100000185759_100009815848 [0,2,0,0,0,0|0,1,0]=3 10404 B13R1.14 OC[C@H](O)COc1ccc(cc1)Cl 34a_100000210216_100009815848 [0,2,0,0,0,0|0,0,0]=2 10405 B13R1.14 OC[C@H](O)COc1ccc(cc1)Cl 7a_100000210216_100009815848 [0,2,0,0,0,0|0,0,0]=2 10406 B13R1.14 OC[C@H](O)COc1ccc(cc1)F 34a_100000210339_100009815848 [0,2,0,0,0,0|0,1,0]=3 10407 B13R1.14 OC[C@H](O)COc1ccc(cc1)I 34a_100000212066_100009815848 [0,2,0,0,0,0|0,1,0]=3 10408 B13R1.14 OC[C@H](O)COc1ccc(cc1)I 7a_100000212066_100009815848 [0,2,0,0,0,0|0,1,0]=3 10409 B13R1.14 OC[C@H](O)COc1ccc(cn1)Cl 34a_100011215309_100009815848 [0,2,0,0,0,0|1,0,0]=3 10410 B13R1.14 OC[C@H](O)COc1ccc(cn1)F 34a_100000742473_100009815848 [0,2,0,0,0,0|1,1,0]=4 10411 B13R1.14 OC[C@H](O)COc1ccc(nc1)Br 34a_100000685995_100009815848 [0,2,0,0,0,0|1,1,0]=4 10412 B13R1.14 OC[C@H](O)COc1ccc(nc1)Br 7a_100000685995_100009815848 [0,2,0,0,0,0|1,1,0]=4 10413 B13R1.14 OC[C@H](O)COc1ccc(nc1)Cl 34a_100000744096_100009815848 [0,2,0,0,0,0|1,0,0]=3 10414 B13R1.14 OC[C@H](O)COc1ccc(nc1)Cl 7a_100000744096_100009815848 [0,2,0,0,0,0|1,0,0]=3 10415 B13R1.14 OC[C@H](O)COc1ccc(nc1)F 34a_100000688820_100009815848 [0,2,0,0,0,0|1,1,0]=4 10416 B13R1.14 OC[C@H](O)COc1ccc(nc1)F 7a_100000688820_100009815848 [0,2,0,0,0,0|1,1,0]=4 10417 B13R1.14 OC[C@H](O)COc1ccc(nc1)I 34a_100000687607_100009815848 [0,2,0,0,0,0|1,1,0]=4 10418 B13R1.14 OC[C@H](O)COc1ccc(nc1)I 7a_100000687607_100009815848 [0,2,0,0,0,0|1,1,0]=4 10419 B13R1.14 OC[C@H](O)COc1cnc(cn1)Cl 34a_100015839800_100009815848 [0,2,0,0,0,0|2,0,0]=4 10420 B13R1.14 OC[C@H](O)COc1cnc(nc1)Cl 34a_100000092845_100009815848 [0,2,0,0,0,0|2,0,0]=4 10421 B13R1.14 OC[C@H](O)COc1cnc(nc1)Cl 7a_100000092845_100009815848 [0,2,0,0,0,0|2,0,0]=4 10422 B13R1.14 OC[C@H](O)CSc1ccc(cc1)Br 62a_100000752885_100009815848 [0,2,0,0,0,0|0,2,0]=4 10423 B13R1.14 OC[C@H](O)CSc1ccc(cc1)Br 62a_100009815848_100000752885 [0,2,0,0,0,0|0,2,0]=4 10424 B13R1.14 OC[C@H](O)CSc1ccc(cc1)Cl 62a_100000755918_100009815848 [0,2,0,0,0,0|0,1,0]=3 10425 B13R1.14 OC[C@H](O)CSc1ccc(cc1)Cl 62a_100009815848_100000755918 [0,2,0,0,0,0|0,1,0]=3 10426 B13R1.14 OC[C@H](O)CSc1ccc(cc1)F 62a_100000211213_100009815848 [0,2,0,0,0,0|0,2,0]=4 10427 B13R1.14 OC[C@H](O)CSc1ccc(cc1)F 62a_100009815848_100000211213 [0,2,0,0,0,0|0,2,0]=4 10428 B13R1.14 OC[C@H](O)CSc1ccc(cc1)O 62a_100009815848_100000185759 [0,2,0,0,0,0|1,1,0]=4 10429 B13R1.14 OC[C@H](O)CSc1ccc(cn1)Cl 62a_100009815848_100011356976 [0,2,0,0,0,0|1,1,0]=4 10430 B13R1.14 OC[C@H](O)CSc1ccc(cn1)Cl 62a_100011356976_100009815848 [0,2,0,0,0,0|1,1,0]=4 10431 B13R1.14 OC[C@H](O)CSc1ccc(nc1)Cl 62a_100000034144_100009815848 [0,2,0,0,0,0|1,1,0]=4 10432 B13R1.14 OC[C@H](O)CSc1ccc(nc1)Cl 62a_100009815848_100000034144 [0,2,0,0,0,0|1,1,0]=4 10433 B13R1.14 O[C@@H](CF)CNc1ccc(cc1)Br 2230a_100000210018_100015614560 [0,2,0,0,0,0|1,1,0]=4 10434 B13R1.14 O[C@@H](CF)CNc1ccc(cc1)Br 34a_100000210018_100015614560 [0,2,0,0,0,0|1,1,0]=4 10435 B13R1.14 O[C@@H](CF)CNc1ccc(cc1)Cl 2230a_100000210052_100015614560 [0,2,0,0,0,0|1,0,0]=3 10436 B13R1.14 O[C@@H](CF)CNc1ccc(cc1)Cl 34a_100000210052_100015614560 [0,2,0,0,0,0|1,0,0]=3 10437 B13R1.14 O[C@@H](CF)CNc1ccc(cc1)F 34a_100000185862_100015614560 [0,2,0,0,0,0|1,1,0]=4 10438 B13R1.14 O[C@@H](CF)CNc1ccc(cc1)I 34a_100000185761_100015614560 [0,2,0,0,0,0|1,1,0]=4 10439 B13R1.14 O[C@@H](CF)COc1ccc(cc1)Br 34a_100000185759_100015614560 [0,2,0,0,0,0|0,1,0]=3 10440 B13R1.14 O[C@@H](CF)COc1ccc(cc1)Br 7a_100000185759_100015614560 [0,2,0,0,0,0|0,1,0]=3 10441 B13R1.14 O[C@@H](CF)COc1ccc(cc1)Cl 34a_100000210216_100015614560 [0,2,0,0,0,0|0,0,0]=2 10442 B13R1.14 O[C@@H](CF)COc1ccc(cc1)Cl 7a_100000210216_100015614560 [0,2,0,0,0,0|0,0,0]=2 10443 B13R1.14 O[C@@H](CF)COc1ccc(cc1)F 34a_100000210339_100015614560 [0,2,0,0,0,0|0,1,0]=3 10444 B13R1.14 O[C@@H](CF)COc1ccc(cc1)I 34a_100000212066_100015614560 [0,2,0,0,0,0|0,1,0]=3 10445 B13R1.14 O[C@@H](CF)COc1ccc(cc1)I 7a_100000212066_100015614560 [0,2,0,0,0,0|0,1,0]=3 10446 B13R1.14 O[C@@H](CF)COc1ccc(cn1)Cl 34a_100011215309_100015614560 [0,2,0,0,0,0|1,0,0]=3 10447 B13R1.14 O[C@@H](CF)COc1ccc(cn1)F 34a_100000742473_100015614560 [0,2,0,0,0,0|1,1,0]=4 10448 B13R1.14 O[C@@H](CF)COc1ccc(nc1)Br 34a_100000685995_100015614560 [0,2,0,0,0,0|1,1,0]=4 10449 B13R1.14 O[C@@H](CF)COc1ccc(nc1)Br 7a_100000685995_100015614560 [0,2,0,0,0,0|1,1,0]=4 10450 B13R1.14 O[C@@H](CF)COc1ccc(nc1)Cl 34a_100000744096_100015614560 [0,2,0,0,0,0|1,0,0]=3 10451 B13R1.14 O[C@@H](CF)COc1ccc(nc1)Cl 7a_100000744096_100015614560 [0,2,0,0,0,0|1,0,0]=3 10452 B13R1.14 O[C@@H](CF)COc1ccc(nc1)F 34a_100000688820_100015614560 [0,2,0,0,0,0|1,1,0]=4 10453 B13R1.14 O[C@@H](CF)COc1ccc(nc1)F 7a_100000688820_100015614560 [0,2,0,0,0,0|1,1,0]=4 10454 B13R1.14 O[C@@H](CF)COc1ccc(nc1)I 34a_100000687607_100015614560 [0,2,0,0,0,0|1,1,0]=4 10455 B13R1.14 O[C@@H](CF)COc1ccc(nc1)I 7a_100000687607_100015614560 [0,2,0,0,0,0|1,1,0]=4 10456 B13R1.14 O[C@@H](CF)COc1cnc(cn1)Cl 34a_100015839800_100015614560 [0,2,0,0,0,0|2,0,0]=4 10457 B13R1.14 O[C@@H](CF)COc1cnc(nc1)Cl 34a_100000092845_100015614560 [0,2,0,0,0,0|2,0,0]=4 10458 B13R1.14 O[C@@H](CF)COc1cnc(nc1)Cl 7a_100000092845_100015614560 [0,2,0,0,0,0|2,0,0]=4 10459 B13R1.14 O[C@@H](CF)CSc1ccc(cc1)Br 62a_100000752885_100015614560 [0,2,0,0,0,0|0,2,0]=4 10460 B13R1.14 O[C@@H](CF)CSc1ccc(cc1)Br 62a_100015614560_100000752885 [0,2,0,0,0,0|0,2,0]=4 10461 B13R1.14 O[C@@H](CF)CSc1ccc(cc1)Cl 62a_100000755918_100015614560 [0,2,0,0,0,0|0,1,0]=3 10462 B13R1.14 O[C@@H](CF)CSc1ccc(cc1)Cl 62a_100015614560_100000755918 [0,2,0,0,0,0|0,1,0]=3 10463 B13R1.14 O[C@@H](CF)CSc1ccc(cc1)F 62a_100000211213_100015614560 [0,2,0,0,0,0|0,2,0]=4 10464 B13R1.14 O[C@@H](CF)CSc1ccc(cc1)F 62a_100015614560_100000211213 [0,2,0,0,0,0|0,2,0]=4 10465 B13R1.14 O[C@@H](CF)CSc1ccc(cn1)Cl 62a_100011356976_100015614560 [0,2,0,0,0,0|1,1,0]=4 10466 B13R1.14 O[C@@H](CF)CSc1ccc(cn1)Cl 62a_100015614560_100011356976 [0,2,0,0,0,0|1,1,0]=4 10467 B13R1.14 O[C@@H](CF)CSc1ccc(nc1)Cl 62a_100000034144_100015614560 [0,2,0,0,0,0|1,1,0]=4 10468 B13R1.14 O[C@@H](CF)CSc1ccc(nc1)Cl 62a_100015614560_100000034144 [0,2,0,0,0,0|1,1,0]=4 10469 B13R1.14 Oc1ccc(cc1)NC[C@@H](O)CF 34a_100000185829_100015614560 [0,2,0,0,0,0|2,0,0]=4 10470 B13R1.14 Oc1ccc(cc1)SC[C@@H](O)CF 62a_100015614560_100000185759 [0,2,0,0,0,0|1,1,0]=4 10471 B13R1.17 C#CCCC(=O)c1ccc(cc1)Cl 1458a_100000210187_100000753159 [0,2,0,0,0,0|2,0,0]=4 10472 B13R1.17 C#CCCN(C)c1ccc(cc1)Cl 2230a_100020629279_100000688953 [0,2,0,0,0,0|2,0,0]=4 10473 B13R1.17 C#CCCN(C)c1ccc(cc1)Cl 269982a_100020629279_100000730999 [0,2,0,0,0,0|2,0,0]=4 10474 B13R1.17 C#CCCN(C)c1ccc(cc1)Cl 34a_100020629279_100000688953 [0,2,0,0,0,0|2,0,0]=4 10475 B13R1.17 C#CCO[C@@H](C)c1ccc(cc1)Cl 34a_100011852131_100000184674 [0,2,0,0,0,0|1,0,1]=4 10476 B13R1.17 C#CCO[C@@H](C)c1ccc(cc1)Cl 7a_100011852131_100000038162 [0,2,0,0,0,0|1,0,1]=4 10477 B13R1.17 C=CCCC(=O)c1ccc(cc1)Cl 1458a_100000210187_100000754431 [0,2,0,0,0,0|2,0,0]=4 10478 B13R1.17 C=CCCN(C)c1ccc(cc1)Cl 2230a_100020629279_100000754431 [0,2,0,0,0,0|2,0,0]=4 10479 B13R1.17 C=CCCN(C)c1ccc(cc1)Cl 269982a_100020629279_100000754431 [0,2,0,0,0,0|2,0,0]=4 10480 B13R1.17 C=CCCN(C)c1ccc(cc1)Cl 34a_100020629279_100000754431 [0,2,0,0,0,0|2,0,0]=4 10481 B13R1.17 C=CCO[C@@H](C)c1ccc(cc1)Cl 34a_100011852131_100015514636 [0,2,0,0,0,0|1,0,1]=4 10482 B13R1.17 C=CCO[C@@H](C)c1ccc(cc1)Cl 7a_100011852131_100015514636 [0,2,0,0,0,0|1,0,1]=4 10483 B13R1.17 CC(NCCF)c1ccc(cc1)Cl 269862a_100000724931_100000185797 [0,2,0,0,0,0|2,0,0]=4 10484 B13R1.17 CC(NCCO)c1ccc(cc1)Br 2230a_100016997473_100000755118 [0,2,0,0,0,0|1,1,0]=4 10485 B13R1.17 CC(NCCO)c1ccc(cc1)Br 269862a_100000210304_100000185794 [0,2,0,0,0,0|1,1,0]=4 10486 B13R1.17 CC(NCCO)c1ccc(cc1)Br 34a_100016990907_100000755118 [0,2,0,0,0,0|1,1,0]=4 10487 B13R1.17 CC(NCCO)c1ccc(cc1)Cl 2230a_100016997473_100000684792 [0,2,0,0,0,0|1,0,0]=3 10488 B13R1.17 CC(NCCO)c1ccc(cc1)Cl 269862a_100000210304_100000185797 [0,2,0,0,0,0|1,0,0]=3 10489 B13R1.17 CC(NCCO)c1ccc(cc1)F 2230a_100016997473_100000743420 [0,2,0,0,0,0|1,1,0]=4 10490 B13R1.17 CC(NCCO)c1ccc(cc1)F 269862a_100000210304_100000185800 [0,2,0,0,0,0|1,1,0]=4 10491 B13R1.17 CC(NCCO)c1ccc(cc1)F 34a_100016990907_100000743420 [0,2,0,0,0,0|1,1,0]=4 10492 B13R1.17 CC(NCCO)c1ccc(cc1)I 269862a_100000210304_100000185465 [0,2,0,0,0,0|1,1,0]=4 10493 B13R1.17 CC(NCCO)c1ccc(cn1)Cl 269862a_100000210304_100000692432 [0,2,0,0,0,0|2,0,0]=4 10494 B13R1.17 CC(NCCO)c1ccc(cn1)Cl 270004a_100000210304_100000692432 [0,2,0,0,0,0|2,0,0]=4 10495 B13R1.17 CC(NCCO)c1ccc(nc1)Cl 269862a_100000210304_100000690552 [0,2,0,0,0,0|2,0,0]=4 10496 B13R1.17 CC(OCCBr)c1ccc(cc1)Br 34a_100000211926_100000755118 [0,2,0,0,0,0|1,1,0]=4 10497 B13R1.17 CC(OCCBr)c1ccc(cc1)F 34a_100000211926_100000743420 [0,2,0,0,0,0|1,1,0]=4 10498 B13R1.17 CC(OCCF)c1ccc(cc1)Br 34a_100000745893_100011217306 [0,2,0,0,0,0|1,1,0]=4 10499 B13R1.17 CC(OCCF)c1ccc(cc1)Br 7a_100000745893_100011217306 [0,2,0,0,0,0|1,1,0]=4 10500 B13R1.17 CC(OCCF)c1ccc(cc1)F 34a_100000181323_100011217306 [0,2,0,0,0,0|1,1,0]=4 10501 B13R1.17 CC(OCCF)c1ccc(cc1)F 7a_100000181323_100011217306 [0,2,0,0,0,0|1,1,0]=4 10502 B13R1.17 CC(OCCF)c1ccc(cc1)N 34a_100011216399_100011217306 [0,2,0,0,0,0|2,0,0]=4 10503 B13R1.17 CC(OCCF)c1ccc(nc1)Cl 34a_200012017543_100011217306 [0,2,0,0,0,0|2,0,0]=4 10504 B13R1.17 CC(OCCF)c1ccc(nc1)Cl 7a_200012017543_100011217306 [0,2,0,0,0,0|2,0,0]=4 10505 B13R1.17 CC(OCCN)c1ccc(cc1)Br 34a_100000210304_100000755118 [0,2,0,0,0,0|1,1,0]=4 10506 B13R1.17 CC(OCCN)c1ccc(cc1)F 34a_100000210304_100000743420 [0,2,0,0,0,0|1,1,0]=4 10507 B13R1.17 CC(OCCO)c1ccc(cc1)Br 34a_100000745893_100000211926 [0,2,0,0,0,0|0,1,0]=3 10508 B13R1.17 CC(OCCO)c1ccc(cc1)Br 7a_100000745893_100000211926 [0,2,0,0,0,0|0,1,0]=3 10509 B13R1.17 CC(OCCO)c1ccc(cc1)F 34a_100000181323_100000211926 [0,2,0,0,0,0|0,1,0]=3 10510 B13R1.17 CC(OCCO)c1ccc(cc1)F 7a_100000181323_100000211926 [0,2,0,0,0,0|0,1,0]=3 10511 B13R1.17 CC(OCCO)c1ccc(cc1)N 34a_100011216399_100000211926 [0,2,0,0,0,0|1,0,0]=3 10512 B13R1.17 CC(OCCO)c1ccc(cn1)Br 34a_100012353650_100000211926 [0,2,0,0,0,0|1,1,0]=4 10513 B13R1.17 CC(OCCO)c1ccc(cn1)Br 7a_100012353650_100000211926 [0,2,0,0,0,0|1,1,0]=4 10514 B13R1.17 CC(OCCO)c1ccc(nc1)Br 34a_200010274204_100000211926 [0,2,0,0,0,0|1,1,0]=4 10515 B13R1.17 CC(OCCO)c1ccc(nc1)Br 7a_200010274204_100000211926 [0,2,0,0,0,0|1,1,0]=4 10516 B13R1.17 CC(OCCO)c1ccc(nc1)Cl 34a_200012017543_100000211926 [0,2,0,0,0,0|1,0,0]=3 10517 B13R1.17 CC(OCCO)c1ccc(nc1)Cl 7a_200012017543_100000211926 [0,2,0,0,0,0|1,0,0]=3 10518 B13R1.17 CC(SCCF)c1ccc(cc1)Cl 62a_100000684792_100011217306 [0,2,0,0,0,0|1,1,0]=4 10519 B13R1.17 CC(SCCF)c1ccc(cc1)Cl 62a_100011217306_100000684792 [0,2,0,0,0,0|1,1,0]=4 10520 B13R1.17 CC(SCCO)c1ccc(cc1)Br 62a_100000211926_100000755118 [0,2,0,0,0,0|0,2,0]=4 10521 B13R1.17 CC(SCCO)c1ccc(cc1)Br 62a_100000755118_100000211926 [0,2,0,0,0,0|0,2,0]=4 10522 B13R1.17 CC(SCCO)c1ccc(cc1)Cl 62a_100000211926_100000684792 [0,2,0,0,0,0|0,1,0]=3 10523 B13R1.17 CC(SCCO)c1ccc(cc1)Cl 62a_100000684792_100000211926 [0,2,0,0,0,0|0,1,0]=3 10524 B13R1.17 CC(SCCO)c1ccc(cc1)F 62a_100000211926_100000743420 [0,2,0,0,0,0|0,2,0]=4 10525 B13R1.17 CC(SCCO)c1ccc(cc1)F 62a_100000743420_100000211926 [0,2,0,0,0,0|0,2,0]=4 10526 B13R1.17 CCCCC(=O)c1ccc(cc1)Cl 1458a_100000210187_100000210211 [0,2,0,0,0,0|2,0,0]=4 10527 B13R1.17 CCCCN(C)c1ccc(cc1)Cl 2230a_100020629279_100000210211 [0,2,0,0,0,0|2,0,0]=4 10528 B13R1.17 CCCCN(C)c1ccc(cc1)Cl 269982a_100020629279_100000210211 [0,2,0,0,0,0|2,0,0]=4 10529 B13R1.17 CCCCN(C)c1ccc(cc1)Cl 34a_100020629279_100000210210 [0,2,0,0,0,0|2,0,0]=4 10530 B13R1.17 CCCNC(=O)c1ccc(cc1)Cl 11a_100020643023_100000210187 [0,2,0,0,0,0|2,0,0]=4 10531 B13R1.17 CCCNC(=O)c1ccc(cc1)Cl 1626a_100020643023_100000210187 [0,2,0,0,0,0|2,0,0]=4 10532 B13R1.17 CCCNC(=O)c1ccc(cc1)Cl 240690a_100020643023_100000210187 [0,2,0,0,0,0|2,0,0]=4 10533 B13R1.17 CCCNC(=O)c1ccc(cc1)Cl 527a_100020643023_100000210187 [0,2,0,0,0,0|2,0,0]=4 10534 B13R1.17 CCCNC(C)c1ccc(cc1)Cl 269862a_100020643023_100000185797 [0,2,0,0,0,0|2,0,0]=4 10535 B13R1.17 CCCN[C@H](C)c1ccc(cc1)Cl 2230a_100015205461_100000210303 [0,2,0,0,0,0|2,0,0]=4 10536 B13R1.17 CCCN[C@H](C)c1ccc(cc1)Cl 34a_100015205461_100000210303 [0,2,0,0,0,0|2,0,0]=4 10537 B13R1.17 CCCOC(C)c1ccc(cc1)Br 34a_100000210258_100000755118 [0,2,0,0,0,0|1,1,0]=4 10538 B13R1.17 CCCOC(C)c1ccc(cc1)Br 34a_100000745893_100000210303 [0,2,0,0,0,0|1,1,0]=4 10539 B13R1.17 CCCOC(C)c1ccc(cc1)Br 7a_100000745893_100000210303 [0,2,0,0,0,0|1,1,0]=4 10540 B13R1.17 CCCOC(C)c1ccc(cc1)C 34a_100000210258_100011261388 [0,2,0,0,0,0|2,0,0]=4 10541 B13R1.17 CCCOC(C)c1ccc(cc1)F 34a_100000181323_100000210303 [0,2,0,0,0,0|1,1,0]=4 10542 B13R1.17 CCCOC(C)c1ccc(cc1)F 34a_100000210258_100000743420 [0,2,0,0,0,0|1,1,0]=4 10543 B13R1.17 CCCOC(C)c1ccc(cc1)F 7a_100000181323_100000210303 [0,2,0,0,0,0|1,1,0]=4 10544 B13R1.17 CCCOC(C)c1ccc(cc1)N 34a_100011216399_100000210303 [0,2,0,0,0,0|2,0,0]=4 10545 B13R1.17 CCCOC(C)c1ccc(nc1)Cl 34a_200012017543_100000210303 [0,2,0,0,0,0|2,0,0]=4 10546 B13R1.17 CCCOC(C)c1ccc(nc1)Cl 7a_200012017543_100000210303 [0,2,0,0,0,0|2,0,0]=4 10547 B13R1.17 CCCO[C@@H](C)c1ccc(cc1)Cl 34a_100011852131_100000210303 [0,2,0,0,0,0|1,0,0]=3 10548 B13R1.17 CCCO[C@@H](C)c1ccc(cc1)Cl 7a_100011852131_100000210303 [0,2,0,0,0,0|1,0,0]=3 10549 B13R1.17 CCCO[C@H](C)c1ccc(cc1)C 34a_100000690690_100000210303 [0,2,0,0,0,0|2,0,0]=4 10550 B13R1.17 CCCO[C@H](C)c1ccc(cc1)C 7a_100000690690_100000210303 [0,2,0,0,0,0|2,0,0]=4 10551 B13R1.17 CCCSC(C)c1ccc(cc1)Cl 62a_100000210303_100000684792 [0,2,0,0,0,0|1,1,0]=4 10552 B13R1.17 CCCSC(C)c1ccc(cc1)Cl 62a_100000684792_100000210303 [0,2,0,0,0,0|1,1,0]=4 10553 B13R1.17 CCNCC(O)c1ccc(cc1)Cl 2230a_100000736658_100000210202 [0,2,0,0,0,0|2,0,0]=4 10554 B13R1.17 CCNCC(O)c1ccc(cc1)Cl 2230a_100015525214_200011996143 [0,2,0,0,0,0|2,0,0]=4 10555 B13R1.17 CCNCC(O)c1ccc(cc1)Cl 34a_100000736658_100000210202 [0,2,0,0,0,0|2,0,0]=4 10556 B13R1.17 CCOCC(O)c1ccc(cc1)Cl 34a_100121572206_200011996143 [0,2,0,0,0,0|2,0,0]=4 10557 B13R1.17 CCOCN(C)c1ccc(cc1)Cl 269982a_100020629279_100000739092 [0,2,0,0,0,0|2,0,0]=4 10558 B13R1.17 CCOC[C@@H](N)c1ccc(cc1)Cl 34a_100009818818_100000210202 [0,2,0,0,0,0|2,0,0]=4 10559 B13R1.17 CCSCC(=O)c1ccc(cc1)Cl 62a_100000210202_100000211071 [0,2,0,0,0,0|2,0,0]=4 10560 B13R1.17 CCSCC(=O)c1ccc(cc1)Cl 62a_100000211071_100000210202 [0,2,0,0,0,0|2,0,0]=4 10561 B13R1.17 CCSCC(O)c1ccc(cc1)Cl 62a_100000210202_200011996143 [0,2,0,0,0,0|2,0,0]=4 10562 B13R1.17 CCSCC(O)c1ccc(cc1)Cl 62a_200011996143_100000210202 [0,2,0,0,0,0|2,0,0]=4 10563 B13R1.17 CN(CCC#N)c1ccc(cc1)Cl 2230a_100000184242_200000210301 [0,2,0,0,0,0|2,0,0]=4 10564 B13R1.17 CN(CCC#N)c1ccc(cc1)Cl 2230a_100020629279_100011215226 [0,2,0,0,0,0|2,0,0]=4 10565 B13R1.17 CN(CCC#N)c1ccc(cc1)Cl 269982a_100020629279_100011215226 [0,2,0,0,0,0|2,0,0]=4 10566 B13R1.17 CN(CCC#N)c1ccc(cc1)Cl 34a_100000184242_200000210301 [0,2,0,0,0,0|2,0,0]=4 10567 B13R1.17 CN(CCCF)c1ccc(cc1)Cl 2230a_100020629279_100011934791 [0,2,0,0,0,0|2,0,0]=4 10568 B13R1.17 CN(CCCF)c1ccc(cc1)Cl 269982a_100020629279_100011934791 [0,2,0,0,0,0|2,0,0]=4 10569 B13R1.17 CN(CCCF)c1ccc(cc1)Cl 34a_100020629279_100011934791 [0,2,0,0,0,0|2,0,0]=4 10570 B13R1.17 CN(CCCO)c1ccc(cc1)Br 2230a_100000219623_100000230001 [0,2,0,0,0,0|1,1,0]=4 10571 B13R1.17 CN(CCCO)c1ccc(cc1)Br 269982a_100000219623_100011215043 [0,2,0,0,0,0|1,1,0]=4 10572 B13R1.17 CN(CCCO)c1ccc(cc1)Br 34a_100000219623_100000230001 [0,2,0,0,0,0|1,1,0]=4 10573 B13R1.17 CN(CCCO)c1ccc(cc1)Cl 2230a_100020629279_100000230001 [0,2,0,0,0,0|1,0,0]=3 10574 B13R1.17 CN(CCCO)c1ccc(cc1)Cl 269982a_100020629279_100011215043 [0,2,0,0,0,0|1,0,0]=3 10575 B13R1.17 CN(CCCO)c1ccc(cc1)Cl 34a_100020629279_100000230001 [0,2,0,0,0,0|1,0,0]=3 10576 B13R1.17 CN(CCCO)c1ccc(cc1)F 2230a_100000219829_100000230001 [0,2,0,0,0,0|1,1,0]=4 10577 B13R1.17 CN(CCCO)c1ccc(cc1)F 269982a_100000219829_100011215043 [0,2,0,0,0,0|1,1,0]=4 10578 B13R1.17 CN(CCCO)c1ccc(cc1)F 34a_100000219829_100000230001 [0,2,0,0,0,0|1,1,0]=4 10579 B13R1.17 CN(CCCO)c1ccc(cc1)I 2230a_100000743151_100000230001 [0,2,0,0,0,0|1,1,0]=4 10580 B13R1.17 CN(CCCO)c1ccc(cc1)I 269982a_100000743151_100011215043 [0,2,0,0,0,0|1,1,0]=4 10581 B13R1.17 CN(CCCO)c1ccc(cc1)I 34a_100000743151_100000230001 [0,2,0,0,0,0|1,1,0]=4 10582 B13R1.17 CN(CCCO)c1ccc(cc1)O 269982a_100000182112_100011215043 [0,2,0,0,0,0|2,0,0]=4 10583 B13R1.17 CN(CCCO)c1ccc(cc1)O 34a_100000182112_100000230001 [0,2,0,0,0,0|2,0,0]=4 10584 B13R1.17 CNCCC(=O)c1ccc(cc1)Cl 7a_106832991635_100011216492 [0,2,0,0,0,0|2,0,0]=4 10585 B13R1.17 COCCC(=O)c1ccc(cc1)Br 1458a_100000185839_100000233755 [0,2,0,0,0,0|1,1,0]=4 10586 B13R1.17 COCCC(=O)c1ccc(cc1)C 1458a_100000188618_100000233755 [0,2,0,0,0,0|2,0,0]=4 10587 B13R1.17 COCCC(=O)c1ccc(cc1)Cl 1458a_100000210187_100000233755 [0,2,0,0,0,0|1,0,0]=3 10588 B13R1.17 COCCC(=O)c1ccc(cc1)F 1458a_100000187176_100000233755 [0,2,0,0,0,0|1,1,0]=4 10589 B13R1.17 COCCC(=O)c1ccc(cc1)I 1458a_100000187904_100000233755 [0,2,0,0,0,0|1,1,0]=4 10590 B13R1.17 COCCC(=O)c1ccc(cc1)O 1458a_100000212099_100000233755 [0,2,0,0,0,0|2,0,0]=4 10591 B13R1.17 COCCC(N)c1ccc(cc1)C 34a_100011661551_200000210301 [0,2,0,0,0,0|2,0,0]=4 10592 B13R1.17 COCCC(N)c1ccc(cc1)Cl 34a_100000730317_200000210301 [0,2,0,0,0,0|1,0,0]=3 10593 B13R1.17 COCCC(N)c1ccc(cc1)F 34a_100000752280_200000210301 [0,2,0,0,0,0|1,1,0]=4 10594 B13R1.17 COCCN(C)c1ccc(cc1)Br 2230a_100000219623_100011201679 [0,2,0,0,0,0|1,1,0]=4 10595 B13R1.17 COCCN(C)c1ccc(cc1)Br 269982a_100000219623_100000233755 [0,2,0,0,0,0|1,1,0]=4 10596 B13R1.17 COCCN(C)c1ccc(cc1)Br 34a_100000219623_100011201679 [0,2,0,0,0,0|1,1,0]=4 10597 B13R1.17 COCCN(C)c1ccc(cc1)C 2230a_100000219977_100011201679 [0,2,0,0,0,0|2,0,0]=4 10598 B13R1.17 COCCN(C)c1ccc(cc1)C 269982a_100000219977_100000233755 [0,2,0,0,0,0|2,0,0]=4 10599 B13R1.17 COCCN(C)c1ccc(cc1)C 34a_100000219977_100011201679 [0,2,0,0,0,0|2,0,0]=4 10600 B13R1.17 COCCN(C)c1ccc(cc1)Cl 2230a_100020629279_100011201679 [0,2,0,0,0,0|1,0,0]=3 10601 B13R1.17 COCCN(C)c1ccc(cc1)Cl 269982a_100020629279_100000233755 [0,2,0,0,0,0|1,0,0]=3 10602 B13R1.17 COCCN(C)c1ccc(cc1)Cl 34a_100020629279_100011201679 [0,2,0,0,0,0|1,0,0]=3 10603 B13R1.17 COCCN(C)c1ccc(cc1)F 2230a_100000219829_100011201679 [0,2,0,0,0,0|1,1,0]=4 10604 B13R1.17 COCCN(C)c1ccc(cc1)F 269982a_100000219829_100000233755 [0,2,0,0,0,0|1,1,0]=4 10605 B13R1.17 COCCN(C)c1ccc(cc1)F 34a_100000219829_100011201679 [0,2,0,0,0,0|1,1,0]=4 10606 B13R1.17 COCCN(C)c1ccc(cc1)I 2230a_100000743151_100011201679 [0,2,0,0,0,0|1,1,0]=4 10607 B13R1.17 COCCN(C)c1ccc(cc1)I 269982a_100000743151_100000233755 [0,2,0,0,0,0|1,1,0]=4 10608 B13R1.17 COCCN(C)c1ccc(cc1)I 34a_100000743151_100011201679 [0,2,0,0,0,0|1,1,0]=4 10609 B13R1.17 COCCN(C)c1ccc(cc1)O 269982a_100000182112_100000233755 [0,2,0,0,0,0|2,0,0]=4 10610 B13R1.17 COCCN(C)c1ccc(cc1)O 34a_100000182112_100011201679 [0,2,0,0,0,0|2,0,0]=4 10611 B13R1.17 COCC[C@H](N)c1ccc(cc1)Br 34a_102125605589_200000210301 [0,2,0,0,0,0|1,1,0]=4 10612 B13R1.17 COCC[C@H](N)c1ccc(cc1)N 34a_200020642056_200000210301 [0,2,0,0,0,0|2,0,0]=4 10613 B13R1.17 COCN[C@H](C)c1ccc(cc1)Cl 2230a_100015205461_100000766300 [0,2,0,0,0,0|2,0,0]=4 10614 B13R1.17 COCSC(C)c1ccc(cc1)Cl 62a_100000684792_100000766300 [0,2,0,0,0,0|2,0,0]=4 10615 B13R1.17 COCSC(C)c1ccc(cc1)Cl 62a_100000766300_100000684792 [0,2,0,0,0,0|2,0,0]=4 10616 B13R1.17 CSCCC(=O)c1ccc(cc1)Cl 1458a_100000210187_100000751147 [0,2,0,0,0,0|1,1,0]=4 10617 B13R1.17 CSCCC(=O)c1ccc(cc1)Cl 62a_100011216492_200000210301 [0,2,0,0,0,0|1,1,0]=4 10618 B13R1.17 CSCCC(=O)c1ccc(cc1)Cl 62a_200000210301_100011216492 [0,2,0,0,0,0|1,1,0]=4 10619 B13R1.17 CSCCN(C)c1ccc(cc1)Cl 2230a_100020629279_100000751147 [0,2,0,0,0,0|1,1,0]=4 10620 B13R1.17 CSCCN(C)c1ccc(cc1)Cl 269982a_100020629279_100000212216 [0,2,0,0,0,0|1,1,0]=4 10621 B13R1.17 CSCCN(C)c1ccc(cc1)Cl 34a_100020629279_100000212216 [0,2,0,0,0,0|1,1,0]=4 10622 B13R1.17 CSCO[C@@H](C)c1ccc(cc1)Cl 34a_100011852131_100011218213 [0,2,0,0,0,0|2,0,0]=4 10623 B13R1.17 C[C@@H](NCCF)c1ccc(cc1)Cl 2230a_100015205461_100011217306 [0,2,0,0,0,0|2,0,0]=4 10624 B13R1.17 C[C@@H](NCCF)c1ccc(cc1)Cl 34a_100015205461_100011217306 [0,2,0,0,0,0|2,0,0]=4 10625 B13R1.17 C[C@@H](NCCO)c1ccc(cc1)Br 2230a_100000720352_100000211926 [0,2,0,0,0,0|1,1,0]=4 10626 B13R1.17 C[C@@H](NCCO)c1ccc(cc1)Cl 2230a_100015205461_100000211926 [0,2,0,0,0,0|1,0,0]=3 10627 B13R1.17 C[C@@H](NCCO)c1ccc(cc1)Cl 34a_100015205461_100000211926 [0,2,0,0,0,0|1,0,0]=3 10628 B13R1.17 C[C@H](NCCO)c1ccc(cc1)F 2230a_100025705893_100000211926 [0,2,0,0,0,0|1,1,0]=4 10629 B13R1.17 C[C@H](NCCO)c1ccc(cc1)F 34a_100025705893_100000211926 [0,2,0,0,0,0|1,1,0]=4 10630 B13R1.17 C[C@H](NCCO)c1ccc(cc1)I 2230a_100000753911_100000211926 [0,2,0,0,0,0|1,1,0]=4 10631 B13R1.17 C[C@H](NCCO)c1ccc(cc1)O 2230a_100161106496_100000211926 [0,2,0,0,0,0|2,0,0]=4 10632 B13R1.17 C[C@H](OCC#N)c1ccc(cc1)Cl 7a_100011852131_100011215382 [0,2,0,0,0,0|1,0,1]=4 10633 B13R1.17 C[C@H](OCC=O)c1ccc(cc1)Cl 34a_100011852131_200009817547 [0,2,0,0,0,0|0,0,2]=4 10634 B13R1.17 C[C@H](OCC=O)c1ccc(cc1)Cl 7a_100011852131_200015260668 [0,2,0,0,0,0|0,0,2]=4 10635 B13R1.17 C[C@H](OCCF)c1ccc(cc1)Cl 34a_100011852131_100011217306 [0,2,0,0,0,0|1,0,0]=3 10636 B13R1.17 C[C@H](OCCF)c1ccc(cc1)Cl 7a_100011852131_100011217306 [0,2,0,0,0,0|1,0,0]=3 10637 B13R1.17 C[C@H](OCCO)c1ccc(cc1)Cl 34a_100011852131_100000211926 [0,2,0,0,0,0|0,0,0]=2 10638 B13R1.17 C[C@H](OCCO)c1ccc(cc1)Cl 7a_100011852131_100000211926 [0,2,0,0,0,0|0,0,0]=2 10639 B13R1.17 Cc1ccc(cc1)C(=O)CCCO 1458a_100000188618_100011215043 [0,2,0,0,0,0|2,0,0]=4 10640 B13R1.17 Cc1ccc(cc1)C(=O)NCCO 240690a_100000210304_100000188618 [0,2,0,0,0,0|2,0,0]=4 10641 B13R1.17 Cc1ccc(cc1)C(=O)NCCO 527a_100000210304_100000188618 [0,2,0,0,0,0|2,0,0]=4 10642 B13R1.17 Cc1ccc(cc1)C(C)NCCO 2230a_100016997473_100011261388 [0,2,0,0,0,0|2,0,0]=4 10643 B13R1.17 Cc1ccc(cc1)C(C)NCCO 269862a_100000210304_100000185793 [0,2,0,0,0,0|2,0,0]=4 10644 B13R1.17 Cc1ccc(cc1)C(C)NCCO 34a_100016990907_100011261388 [0,2,0,0,0,0|2,0,0]=4 10645 B13R1.17 Cc1ccc(cc1)C(C)OCCBr 34a_100000211926_100011261388 [0,2,0,0,0,0|2,0,0]=4 10646 B13R1.17 Cc1ccc(cc1)C(C)OCCN 34a_100000210304_100011261388 [0,2,0,0,0,0|2,0,0]=4 10647 B13R1.17 Cc1ccc(cc1)C(C)SCCO 62a_100000211926_100011261388 [0,2,0,0,0,0|1,1,0]=4 10648 B13R1.17 Cc1ccc(cc1)C(C)SCCO 62a_100011261388_100000211926 [0,2,0,0,0,0|1,1,0]=4 10649 B13R1.17 Cc1ccc(cc1)C(N)CCO[13CH3] 34a_100011661551_200025704644 [0,2,0,0,0,0|2,0,0]=4 10650 B13R1.17 Cc1ccc(cc1)N(C)CCCO 2230a_100000219977_100000230001 [0,2,0,0,0,0|2,0,0]=4 10651 B13R1.17 Cc1ccc(cc1)N(C)CCCO 269982a_100000219977_100011215043 [0,2,0,0,0,0|2,0,0]=4 10652 B13R1.17 Cc1ccc(cc1)N(C)CCCO 34a_100000219977_100000230001 [0,2,0,0,0,0|2,0,0]=4 10653 B13R1.17 Cc1ccc(cc1)[C@@H](C)NCCO 2230a_100016988085_100000211926 [0,2,0,0,0,0|2,0,0]=4 10654 B13R1.17 Cc1ccc(cc1)[C@@H](C)NCCO 34a_100016988085_100000211926 [0,2,0,0,0,0|2,0,0]=4 10655 B13R1.17 Cc1ccc(cc1)[C@@H](C)OCCF 34a_100000690690_100011217306 [0,2,0,0,0,0|2,0,0]=4 10656 B13R1.17 Cc1ccc(cc1)[C@@H](C)OCCF 7a_100000690690_100011217306 [0,2,0,0,0,0|2,0,0]=4 10657 B13R1.17 Cc1ccc(cc1)[C@@H](C)OCCO 34a_100000690690_100000211926 [0,2,0,0,0,0|1,0,0]=3 10658 B13R1.17 Cc1ccc(cc1)[C@@H](C)OCCO 7a_100000690690_100000211926 [0,2,0,0,0,0|1,0,0]=3 10659 B13R1.17 Cc1ccc(cn1)C(C)OCCO 34a_200011815720_100000211926 [0,2,0,0,0,0|2,0,0]=4 10660 B13R1.17 Cc1ccc(cn1)C(C)OCCO 7a_200011815720_100000211926 [0,2,0,0,0,0|2,0,0]=4 10661 B13R1.17 N#CCCC(=O)c1ccc(cc1)Cl 1458a_100000210187_100011215226 [0,2,0,0,0,0|2,0,0]=4 10662 B13R1.17 N[C@H](COCF)c1ccc(cc1)Cl 34a_100009818818_100015361967 [0,2,0,0,0,0|2,0,0]=4 10663 B13R1.17 O=C(CCCF)c1ccc(cc1)Cl 1458a_100000210187_100011934791 [0,2,0,0,0,0|2,0,0]=4 10664 B13R1.17 O=C(CCCO)c1ccc(cc1)Br 1458a_100000185839_100011215043 [0,2,0,0,0,0|1,1,0]=4 10665 B13R1.17 O=C(CCCO)c1ccc(cc1)Cl 1458a_100000210187_100011215043 [0,2,0,0,0,0|1,0,0]=3 10666 B13R1.17 O=C(CCCO)c1ccc(cc1)F 1458a_100000187176_100011215043 [0,2,0,0,0,0|1,1,0]=4 10667 B13R1.17 O=C(CCCO)c1ccc(cc1)I 1458a_100000187904_100011215043 [0,2,0,0,0,0|1,1,0]=4 10668 B13R1.17 O=C(CCCO)c1ccc(cc1)O 1458a_100000212099_100011215043 [0,2,0,0,0,0|2,0,0]=4 10669 B13R1.17 O=C(CSCF)c1ccc(cc1)Cl 62a_100000211071_100015361967 [0,2,0,0,0,0|2,0,0]=4 10670 B13R1.17 O=C(CSCF)c1ccc(cc1)Cl 62a_100015361967_100000211071 [0,2,0,0,0,0|2,0,0]=4 10671 B13R1.17 O=C(NCCF)c1ccc(cc1)Cl 11a_100000724931_100000210187 [0,2,0,0,0,0|2,0,0]=4 10672 B13R1.17 O=C(NCCF)c1ccc(cc1)Cl 1626a_100000724931_100000210187 [0,2,0,0,0,0|2,0,0]=4 10673 B13R1.17 O=C(NCCF)c1ccc(cc1)Cl 240690a_100000724931_100000210187 [0,2,0,0,0,0|2,0,0]=4 10674 B13R1.17 O=C(NCCF)c1ccc(cc1)Cl 527a_100000724931_100000210187 [0,2,0,0,0,0|2,0,0]=4 10675 B13R1.17 O=C(NCCO)c1ccc(cc1)Br 240690a_100000210304_100000185839 [0,2,0,0,0,0|1,1,0]=4 10676 B13R1.17 O=C(NCCO)c1ccc(cc1)Br 527a_100000210304_100000185839 [0,2,0,0,0,0|1,1,0]=4 10677 B13R1.17 O=C(NCCO)c1ccc(cc1)Cl 240690a_100000210304_100000210187 [0,2,0,0,0,0|1,0,0]=3 10678 B13R1.17 O=C(NCCO)c1ccc(cc1)Cl 527a_100000210304_100000210187 [0,2,0,0,0,0|1,0,0]=3 10679 B13R1.17 O=C(NCCO)c1ccc(cc1)F 240690a_100000210304_100000187176 [0,2,0,0,0,0|1,1,0]=4 10680 B13R1.17 O=C(NCCO)c1ccc(cc1)F 527a_100000210304_100000187176 [0,2,0,0,0,0|1,1,0]=4 10681 B13R1.17 O=C(NCCO)c1ccc(cc1)I 240690a_100000210304_100000187904 [0,2,0,0,0,0|1,1,0]=4 10682 B13R1.17 O=C(NCCO)c1ccc(cc1)I 527a_100000210304_100000187904 [0,2,0,0,0,0|1,1,0]=4 10683 B13R1.17 O=C(NCCO)c1ccc(cc1)O 240690a_100000210304_100000212099 [0,2,0,0,0,0|2,0,0]=4 10684 B13R1.17 O=C(NCCO)c1ccc(cc1)O 271570a_203496583355_200000158904 [0,2,0,0,0,0|2,0,0]=4 10685 B13R1.17 O=C(NCCO)c1ccc(cc1)O 527a_100000210304_100000212099 [0,2,0,0,0,0|2,0,0]=4 10686 B13R1.17 OC(CNCF)c1ccc(cc1)Cl 34a_100000736658_100015361967 [0,2,0,0,0,0|2,0,0]=4 10687 B13R1.17 OC(CSCF)c1ccc(cc1)Cl 62a_100015361967_200011996143 [0,2,0,0,0,0|2,0,0]=4 10688 B13R1.17 OC(CSCF)c1ccc(cc1)Cl 62a_200011996143_100015361967 [0,2,0,0,0,0|2,0,0]=4 10689 B13R1.17 [13CH3]N(CCC#N)c1ccc(cc1)Cl 2230a_100000184242_200025704644 [0,2,0,0,0,0|2,0,0]=4 10690 B13R1.17 [13CH3]N(CCC#N)c1ccc(cc1)Cl 34a_100000184242_200025704644 [0,2,0,0,0,0|2,0,0]=4 10691 B13R1.17 [13CH3]OCCC(N)c1ccc(cc1)Cl 34a_100000730317_200025704644 [0,2,0,0,0,0|1,0,0]=3 10692 B13R1.17 [13CH3]OCCC(N)c1ccc(cc1)F 34a_100000752280_200025704644 [0,2,0,0,0,0|1,1,0]=4 10693 B13R1.17 [13CH3]OCC[C@H](N)c1ccc(cc1)Br 34a_102125605589_200025704644 [0,2,0,0,0,0|1,1,0]=4 10694 B13R1.17 [13CH3]OCC[C@H](N)c1ccc(cc1)N 34a_200020642056_200025704644 [0,2,0,0,0,0|2,0,0]=4 10695 B13R1.17 [13CH3]SCCC(=O)c1ccc(cc1)Cl 62a_100011216492_200025704644 [0,2,0,0,0,0|1,1,0]=4 10696 B13R1.17 [13CH3]SCCC(=O)c1ccc(cc1)Cl 62a_200025704644_100011216492 [0,2,0,0,0,0|1,1,0]=4 10697 B13R1.17 [2H]C(OCCC)c1ccc(cc1)F 34a_217856618577_100000210303 [0,2,0,0,0,0|1,1,0]=4 10698 B13R1.17 [2H]C(OCCC)c1ccc(cc1)F 7a_217856618577_100000210303 [0,2,0,0,0,0|1,1,0]=4 10699 B13R1.17 [2H]C(OCCF)c1ccc(cc1)F 34a_217856618577_100011217306 [0,2,0,0,0,0|1,1,0]=4 10700 B13R1.17 [2H]C(OCCF)c1ccc(cc1)F 7a_217856618577_100011217306 [0,2,0,0,0,0|1,1,0]=4 10701 B13R1.17 [2H]C(OCCO)c1ccc(cc1)F 34a_217856618577_100000211926 [0,2,0,0,0,0|0,1,0]=3 10702 B13R1.17 [2H]C(OCCO)c1ccc(cc1)F 7a_217856618577_100000211926 [0,2,0,0,0,0|0,1,0]=3 10703 B13R1.19 CC(CC#N)Nc1ccc(cc1)Cl 2230a_100000210052_100009813641 [0,2,0,0,0,0|2,0,0]=4 10704 B13R1.19 CC(CC#N)Oc1ccc(cc1)Br 7a_100000185759_100009813641 [0,2,0,0,0,0|1,1,0]=4 10705 B13R1.19 CC(CC#N)Oc1ccc(cc1)Cl 7a_100000210216_100009813641 [0,2,0,0,0,0|1,0,0]=3 10706 B13R1.19 CC(CC#N)Oc1ccc(cc1)I 7a_100000212066_100009813641 [0,2,0,0,0,0|1,1,0]=4 10707 B13R1.19 CC(CC#N)Oc1ccc(nc1)Cl 7a_100000744096_100009813641 [0,2,0,0,0,0|2,0,0]=4 10708 B13R1.19 CC(CC#N)Sc1ccc(cc1)Cl 62a_100000755918_100009813641 [0,2,0,0,0,0|1,1,0]=4 10709 B13R1.19 CC(CC#N)Sc1ccc(cc1)Cl 62a_100009813641_100000755918 [0,2,0,0,0,0|1,1,0]=4 10710 B13R1.19 CC(CCO)Nc1ccc(cc1)Br 2230a_100000210018_100009893172 [0,2,0,0,0,0|1,1,0]=4 10711 B13R1.19 CC(CCO)Nc1ccc(cc1)Br 34a_100000210018_100009893172 [0,2,0,0,0,0|1,1,0]=4 10712 B13R1.19 CC(CCO)Nc1ccc(cc1)Cl 2230a_100000210052_100009893172 [0,2,0,0,0,0|1,0,0]=3 10713 B13R1.19 CC(CCO)Nc1ccc(cc1)Cl 34a_100000210052_100009893172 [0,2,0,0,0,0|1,0,0]=3 10714 B13R1.19 CC(CCO)Nc1ccc(cc1)F 34a_100000185862_100009893172 [0,2,0,0,0,0|1,1,0]=4 10715 B13R1.19 CC(CCO)Nc1ccc(cc1)I 34a_100000185761_100009893172 [0,2,0,0,0,0|1,1,0]=4 10716 B13R1.19 CC(CCO)Nc1ccc(cc1)O 34a_100000185829_100009893172 [0,2,0,0,0,0|2,0,0]=4 10717 B13R1.19 CC(CCO)Oc1ccc(=O)[nH]c1 34a_100000075641_100009893172 [0,2,0,0,0,0|2,0,0]=4 10718 B13R1.19 CC(CCO)Oc1ccc(cc1)Br 34a_100000185759_100009893172 [0,2,0,0,0,0|0,1,0]=3 10719 B13R1.19 CC(CCO)Oc1ccc(cc1)Br 7a_100000185759_100009893172 [0,2,0,0,0,0|0,1,0]=3 10720 B13R1.19 CC(CCO)Oc1ccc(cc1)Cl 34a_100000210216_100009893172 [0,2,0,0,0,0|0,0,0]=2 10721 B13R1.19 CC(CCO)Oc1ccc(cc1)Cl 7a_100000210216_100009893172 [0,2,0,0,0,0|0,0,0]=2 10722 B13R1.19 CC(CCO)Oc1ccc(cc1)F 34a_100000210339_100009893172 [0,2,0,0,0,0|0,1,0]=3 10723 B13R1.19 CC(CCO)Oc1ccc(cc1)I 34a_100000212066_100009893172 [0,2,0,0,0,0|0,1,0]=3 10724 B13R1.19 CC(CCO)Oc1ccc(cc1)I 7a_100000212066_100009893172 [0,2,0,0,0,0|0,1,0]=3 10725 B13R1.19 CC(CCO)Oc1ccc(cc1)N 34a_100000185829_100009893172 [0,2,0,0,0,0|1,0,0]=3 10726 B13R1.19 CC(CCO)Oc1ccc(cn1)Cl 34a_100011215309_100009893172 [0,2,0,0,0,0|1,0,0]=3 10727 B13R1.19 CC(CCO)Oc1ccc(cn1)F 34a_100000742473_100009893172 [0,2,0,0,0,0|1,1,0]=4 10728 B13R1.19 CC(CCO)Oc1ccc(cn1)N 34a_100000729260_100009893172 [0,2,0,0,0,0|2,0,0]=4 10729 B13R1.19 CC(CCO)Oc1ccc(nc1)Br 34a_100000685995_100009893172 [0,2,0,0,0,0|1,1,0]=4 10730 B13R1.19 CC(CCO)Oc1ccc(nc1)Br 7a_100000685995_100009893172 [0,2,0,0,0,0|1,1,0]=4 10731 B13R1.19 CC(CCO)Oc1ccc(nc1)Cl 34a_100000744096_100009893172 [0,2,0,0,0,0|1,0,0]=3 10732 B13R1.19 CC(CCO)Oc1ccc(nc1)Cl 7a_100000744096_100009893172 [0,2,0,0,0,0|1,0,0]=3 10733 B13R1.19 CC(CCO)Oc1ccc(nc1)F 34a_100000688820_100009893172 [0,2,0,0,0,0|1,1,0]=4 10734 B13R1.19 CC(CCO)Oc1ccc(nc1)F 7a_100000688820_100009893172 [0,2,0,0,0,0|1,1,0]=4 10735 B13R1.19 CC(CCO)Oc1ccc(nc1)I 34a_100000687607_100009893172 [0,2,0,0,0,0|1,1,0]=4 10736 B13R1.19 CC(CCO)Oc1ccc(nc1)I 7a_100000687607_100009893172 [0,2,0,0,0,0|1,1,0]=4 10737 B13R1.19 CC(CCO)Oc1ccc(nc1)N 34a_100015188713_100009893172 [0,2,0,0,0,0|2,0,0]=4 10738 B13R1.19 CC(CCO)Oc1ccc(nc1)N 7a_100015188713_100009893172 [0,2,0,0,0,0|2,0,0]=4 10739 B13R1.19 CC(CCO)Oc1cnc(cn1)Cl 34a_100015839800_100009893172 [0,2,0,0,0,0|2,0,0]=4 10740 B13R1.19 CC(CCO)Oc1cnc(nc1)Cl 34a_100000092845_100009893172 [0,2,0,0,0,0|2,0,0]=4 10741 B13R1.19 CC(CCO)Oc1cnc(nc1)Cl 7a_100000092845_100009893172 [0,2,0,0,0,0|2,0,0]=4 10742 B13R1.19 CC(CCO)Sc1ccc(cc1)Br 62a_100000752885_100009893172 [0,2,0,0,0,0|0,2,0]=4 10743 B13R1.19 CC(CCO)Sc1ccc(cc1)Br 62a_100009893172_100000752885 [0,2,0,0,0,0|0,2,0]=4 10744 B13R1.19 CC(CCO)Sc1ccc(cc1)Cl 62a_100000755918_100009893172 [0,2,0,0,0,0|0,1,0]=3 10745 B13R1.19 CC(CCO)Sc1ccc(cc1)Cl 62a_100009893172_100000755918 [0,2,0,0,0,0|0,1,0]=3 10746 B13R1.19 CC(CCO)Sc1ccc(cc1)F 62a_100000211213_100009893172 [0,2,0,0,0,0|0,2,0]=4 10747 B13R1.19 CC(CCO)Sc1ccc(cc1)F 62a_100009893172_100000211213 [0,2,0,0,0,0|0,2,0]=4 10748 B13R1.19 CC(CCO)Sc1ccc(cc1)N 62a_100000185761_100009893172 [0,2,0,0,0,0|1,1,0]=4 10749 B13R1.19 CC(CCO)Sc1ccc(cc1)N 62a_100009893172_100000185761 [0,2,0,0,0,0|1,1,0]=4 10750 B13R1.19 CC(CCO)Sc1ccc(cc1)O 62a_100009893172_100000185759 [0,2,0,0,0,0|1,1,0]=4 10751 B13R1.19 CC(CCO)Sc1ccc(cn1)Cl 62a_100009893172_100011356976 [0,2,0,0,0,0|1,1,0]=4 10752 B13R1.19 CC(CCO)Sc1ccc(cn1)Cl 62a_100011356976_100009893172 [0,2,0,0,0,0|1,1,0]=4 10753 B13R1.19 CC(CCO)Sc1ccc(nc1)Cl 62a_100000034144_100009893172 [0,2,0,0,0,0|1,1,0]=4 10754 B13R1.19 CC(CCO)Sc1ccc(nc1)Cl 62a_100009893172_100000034144 [0,2,0,0,0,0|1,1,0]=4 10755 B13R1.19 CC(CN[13CH3])Oc1ccc(cc1)F 2230a_200020586543_200025704644 [0,2,0,0,0,0|1,1,0]=4 10756 B13R1.19 CC(CN[13CH3])Oc1ccc(cc1)F 34a_200020586543_200025704644 [0,2,0,0,0,0|1,1,0]=4 10757 B13R1.19 CC(CS[13CH3])Oc1ccc(cc1)F 62a_100010228477_200025704644 [0,2,0,0,0,0|0,2,0]=4 10758 B13R1.19 CC(CS[13CH3])Oc1ccc(cc1)F 62a_200025704644_100010228477 [0,2,0,0,0,0|0,2,0]=4 10759 B13R1.19 CCCC(=O)Cc1ccc(cc1)Cl 1458a_100000211027_100000210303 [0,2,0,0,0,0|2,0,0]=4 10760 B13R1.19 CCCC(=O)Cc1ccc(cc1)Cl 1458a_100000211992_100000694040 [0,2,0,0,0,0|2,0,0]=4 10761 B13R1.19 CCCC(=O)Nc1ccc(cc1)Cl 11a_100000210052_100000211992 [0,2,0,0,0,0|2,0,0]=4 10762 B13R1.19 CCCC(=O)Nc1ccc(cc1)Cl 1626a_100000210052_100000211992 [0,2,0,0,0,0|2,0,0]=4 10763 B13R1.19 CCCC(=O)Nc1ccc(cc1)Cl 22a_100000210052_100000211992 [0,2,0,0,0,0|2,0,0]=4 10764 B13R1.19 CCCC(=O)Nc1ccc(cc1)Cl 527a_100000210052_100000211992 [0,2,0,0,0,0|2,0,0]=4 10765 B13R1.19 CCCC(C)Nc1ccc(cc1)Cl 2230a_100000210052_100000766640 [0,2,0,0,0,0|2,0,0]=4 10766 B13R1.19 CCCC(C)Nc1ccc(cc1)Cl 34a_100000210052_100000766640 [0,2,0,0,0,0|2,0,0]=4 10767 B13R1.19 CCCC(C)Oc1ccc(cc1)Br 34a_100000185759_100000766640 [0,2,0,0,0,0|1,1,0]=4 10768 B13R1.19 CCCC(C)Oc1ccc(cc1)Br 7a_100000185759_100000766640 [0,2,0,0,0,0|1,1,0]=4 10769 B13R1.19 CCCC(C)Oc1ccc(cc1)C 34a_100000210336_100000766640 [0,2,0,0,0,0|2,0,0]=4 10770 B13R1.19 CCCC(C)Oc1ccc(cc1)C 7a_100000210336_100000766640 [0,2,0,0,0,0|2,0,0]=4 10771 B13R1.19 CCCC(C)Oc1ccc(cc1)Cl 34a_100000210216_100000766640 [0,2,0,0,0,0|1,0,0]=3 10772 B13R1.19 CCCC(C)Oc1ccc(cc1)Cl 7a_100000210216_100000766640 [0,2,0,0,0,0|1,0,0]=3 10773 B13R1.19 CCCC(C)Oc1ccc(cc1)F 34a_100000210339_100000766640 [0,2,0,0,0,0|1,1,0]=4 10774 B13R1.19 CCCC(C)Oc1ccc(cc1)I 34a_100000212066_100000766640 [0,2,0,0,0,0|1,1,0]=4 10775 B13R1.19 CCCC(C)Oc1ccc(cc1)I 7a_100000212066_100000766640 [0,2,0,0,0,0|1,1,0]=4 10776 B13R1.19 CCCC(C)Oc1ccc(cc1)N 34a_100000185829_100000766640 [0,2,0,0,0,0|2,0,0]=4 10777 B13R1.19 CCCC(C)Oc1ccc(cn1)Cl 34a_100011215309_100000766640 [0,2,0,0,0,0|2,0,0]=4 10778 B13R1.19 CCCC(C)Oc1ccc(nc1)Cl 34a_100000744096_100000766640 [0,2,0,0,0,0|2,0,0]=4 10779 B13R1.19 CCCC(C)Oc1ccc(nc1)Cl 7a_100000744096_100000766640 [0,2,0,0,0,0|2,0,0]=4 10780 B13R1.19 CCCC(C)Sc1ccc(cc1)Cl 62a_100000755918_100000766640 [0,2,0,0,0,0|1,1,0]=4 10781 B13R1.19 CCCC(C)Sc1ccc(cc1)Cl 62a_100000766640_100000755918 [0,2,0,0,0,0|1,1,0]=4 10782 B13R1.19 CCCN(C)Cc1ccc(cc1)Cl 2230a_100000184517_100000210303 [0,2,0,0,0,0|2,0,0]=4 10783 B13R1.19 CCCN(C)Cc1ccc(cc1)Cl 2230a_100000747261_100000694040 [0,2,0,0,0,0|2,0,0]=4 10784 B13R1.19 CCCN(C)Cc1ccc(cc1)Cl 2230a_100020603295_200000210301 [0,2,0,0,0,0|2,0,0]=4 10785 B13R1.19 CCCN(C)Cc1ccc(cc1)Cl 269982a_100000184517_100000210303 [0,2,0,0,0,0|2,0,0]=4 10786 B13R1.19 CCCN(C)Cc1ccc(cc1)Cl 269982a_100000747261_100000187161 [0,2,0,0,0,0|2,0,0]=4 10787 B13R1.19 CCCN(C)Cc1ccc(cc1)Cl 269982a_100020603295_200000210301 [0,2,0,0,0,0|2,0,0]=4 10788 B13R1.19 CCCN(C)Cc1ccc(cc1)Cl 270004a_100000747261_100000189385 [0,2,0,0,0,0|2,0,0]=4 10789 B13R1.19 CCCN(C)Cc1ccc(cc1)Cl 34a_100000184517_100000210303 [0,2,0,0,0,0|2,0,0]=4 10790 B13R1.19 CCCN(C)Cc1ccc(cc1)Cl 34a_100020603295_200000210301 [0,2,0,0,0,0|2,0,0]=4 10791 B13R1.19 CCCN([13CH3])Cc1ccc(cc1)Cl 2230a_100020603295_200025704644 [0,2,0,0,0,0|2,0,0]=4 10792 B13R1.19 CCCN([13CH3])Cc1ccc(cc1)Cl 269982a_100020603295_200025704644 [0,2,0,0,0,0|2,0,0]=4 10793 B13R1.19 CCCN([13CH3])Cc1ccc(cc1)Cl 34a_100020603295_200025704644 [0,2,0,0,0,0|2,0,0]=4 10794 B13R1.19 CCNC(C)Cc1ccc(cc1)Cl 270004a_100015525214_100000747806 [0,2,0,0,0,0|2,0,0]=4 10795 B13R1.19 CCOC(C)Oc1ccc(cc1)O 271570a_203496583355_100009812852 [0,2,0,0,0,0|2,0,0]=4 10796 B13R1.19 CN(CCF)Cc1ccc(cc1)Cl 2230a_100000184517_100011217306 [0,2,0,0,0,0|2,0,0]=4 10797 B13R1.19 CN(CCF)Cc1ccc(cc1)Cl 269982a_100000184517_100011217306 [0,2,0,0,0,0|2,0,0]=4 10798 B13R1.19 CN(CCF)Cc1ccc(cc1)Cl 34a_100000184517_100011217306 [0,2,0,0,0,0|2,0,0]=4 10799 B13R1.19 CN(CCO)Cc1ccc(cc1)Br 2230a_100000180866_100000211926 [0,2,0,0,0,0|1,1,0]=4 10800 B13R1.19 CN(CCO)Cc1ccc(cc1)Br 2230a_100000186819_200000210301 [0,2,0,0,0,0|1,1,0]=4 10801 B13R1.19 CN(CCO)Cc1ccc(cc1)Br 2230a_100000210263_100011217064 [0,2,0,0,0,0|1,1,0]=4 10802 B13R1.19 CN(CCO)Cc1ccc(cc1)Br 269982a_100000180866_100000211926 [0,2,0,0,0,0|1,1,0]=4 10803 B13R1.19 CN(CCO)Cc1ccc(cc1)Br 269982a_100000186819_200000210301 [0,2,0,0,0,0|1,1,0]=4 10804 B13R1.19 CN(CCO)Cc1ccc(cc1)Br 269982a_100000210263_100011217064 [0,2,0,0,0,0|1,1,0]=4 10805 B13R1.19 CN(CCO)Cc1ccc(cc1)Br 26a_100000210263_100000185759 [0,2,0,0,0,0|1,1,0]=4 10806 B13R1.19 CN(CCO)Cc1ccc(cc1)Br 270004a_100000210263_100000186029 [0,2,0,0,0,0|1,1,0]=4 10807 B13R1.19 CN(CCO)Cc1ccc(cc1)Br 34a_100000186819_200000210301 [0,2,0,0,0,0|1,1,0]=4 10808 B13R1.19 CN(CCO)Cc1ccc(cc1)Cl 2230a_100000184517_100000211926 [0,2,0,0,0,0|1,0,0]=3 10809 B13R1.19 CN(CCO)Cc1ccc(cc1)Cl 2230a_100000210263_100000694040 [0,2,0,0,0,0|1,0,0]=3 10810 B13R1.19 CN(CCO)Cc1ccc(cc1)Cl 269982a_100000184517_100000211926 [0,2,0,0,0,0|1,0,0]=3 10811 B13R1.19 CN(CCO)Cc1ccc(cc1)Cl 269982a_100000210263_100000187161 [0,2,0,0,0,0|1,0,0]=3 10812 B13R1.19 CN(CCO)Cc1ccc(cc1)Cl 270004a_100000210263_100000189385 [0,2,0,0,0,0|1,0,0]=3 10813 B13R1.19 CN(CCO)Cc1ccc(cc1)Cl 34a_100000184517_100000211926 [0,2,0,0,0,0|1,0,0]=3 10814 B13R1.19 CN(CCO)Cc1ccc(cc1)F 2230a_100000184576_100000211926 [0,2,0,0,0,0|1,1,0]=4 10815 B13R1.19 CN(CCO)Cc1ccc(cc1)F 2230a_100000210263_100000198546 [0,2,0,0,0,0|1,1,0]=4 10816 B13R1.19 CN(CCO)Cc1ccc(cc1)F 2230a_100015183715_200000210301 [0,2,0,0,0,0|1,1,0]=4 10817 B13R1.19 CN(CCO)Cc1ccc(cc1)F 269982a_100000184576_100000211926 [0,2,0,0,0,0|1,1,0]=4 10818 B13R1.19 CN(CCO)Cc1ccc(cc1)F 269982a_100000210263_100000198546 [0,2,0,0,0,0|1,1,0]=4 10819 B13R1.19 CN(CCO)Cc1ccc(cc1)F 269982a_100015183715_200000210301 [0,2,0,0,0,0|1,1,0]=4 10820 B13R1.19 CN(CCO)Cc1ccc(cc1)F 270004a_100000210263_100000210084 [0,2,0,0,0,0|1,1,0]=4 10821 B13R1.19 CN(CCO)Cc1ccc(cc1)F 34a_100000184576_100000211926 [0,2,0,0,0,0|1,1,0]=4 10822 B13R1.19 CN(CCO)Cc1ccc(cc1)F 34a_100015183715_200000210301 [0,2,0,0,0,0|1,1,0]=4 10823 B13R1.19 CN(CCO)Cc1ccc(cc1)I 2230a_100000210263_100000189116 [0,2,0,0,0,0|1,1,0]=4 10824 B13R1.19 CN(CCO)Cc1ccc(cc1)I 269982a_100000210263_100000189116 [0,2,0,0,0,0|1,1,0]=4 10825 B13R1.19 CN(CCO)Cc1ccc(cc1)O 2230a_100000207500_100000211926 [0,2,0,0,0,0|2,0,0]=4 10826 B13R1.19 CN(CCO)Cc1ccc(cc1)O 269982a_100000207500_100000211926 [0,2,0,0,0,0|2,0,0]=4 10827 B13R1.19 CN(CCO)Cc1ccc(cn1)Cl 2230a_100000210263_100012066911 [0,2,0,0,0,0|2,0,0]=4 10828 B13R1.19 CN(CCO)Cc1ccc(cn1)Cl 269982a_100000210263_100000697101 [0,2,0,0,0,0|2,0,0]=4 10829 B13R1.19 CN(CCO)Cc1ccc(cn1)Cl 270004a_100000210263_100011361569 [0,2,0,0,0,0|2,0,0]=4 10830 B13R1.19 CN(CCO)Cc1ccc(nc1)Cl 2230a_100000026953_100000211926 [0,2,0,0,0,0|2,0,0]=4 10831 B13R1.19 CN(CCO)Cc1ccc(nc1)Cl 2230a_100000210263_100000735431 [0,2,0,0,0,0|2,0,0]=4 10832 B13R1.19 CN(CCO)Cc1ccc(nc1)Cl 269982a_100000026953_100000211926 [0,2,0,0,0,0|2,0,0]=4 10833 B13R1.19 CN(CCO)Cc1ccc(nc1)Cl 269982a_100000210263_100000735431 [0,2,0,0,0,0|2,0,0]=4 10834 B13R1.19 CN(CCO)Cc1ccc(nc1)Cl 34a_100000026953_100000211926 [0,2,0,0,0,0|2,0,0]=4 10835 B13R1.19 CNCC(C)Oc1ccc(cc1)C 2230a_100000763606_200000210301 [0,2,0,0,0,0|2,0,0]=4 10836 B13R1.19 CNCC(C)Oc1ccc(cc1)C 34a_100000763606_200000210301 [0,2,0,0,0,0|2,0,0]=4 10837 B13R1.19 CNCC(C)Oc1ccc(cc1)F 2230a_106832991635_100010228477 [0,2,0,0,0,0|1,1,0]=4 10838 B13R1.19 CNCC(C)Oc1ccc(cc1)F 2230a_200020586543_200000210301 [0,2,0,0,0,0|1,1,0]=4 10839 B13R1.19 CNCC(C)Oc1ccc(cc1)F 34a_100102657272_100010228477 [0,2,0,0,0,0|1,1,0]=4 10840 B13R1.19 CNCC(C)Oc1ccc(cc1)F 34a_200020586543_200000210301 [0,2,0,0,0,0|1,1,0]=4 10841 B13R1.19 CNCC(C)Oc1ccc(cc1)F 7a_106832991635_100010228477 [0,2,0,0,0,0|1,1,0]=4 10842 B13R1.19 COCC(=O)Cc1ccc(cc1)Cl 1458a_100000210968_100000694040 [0,2,0,0,0,0|1,0,1]=4 10843 B13R1.19 COCC(=O)Nc1ccc(cc1)Cl 11a_100000210052_100000210968 [0,2,0,0,0,0|1,0,1]=4 10844 B13R1.19 COCC(=O)Nc1ccc(cc1)Cl 1626a_100000210052_100000210968 [0,2,0,0,0,0|1,0,1]=4 10845 B13R1.19 COCC(=O)Nc1ccc(cc1)Cl 22a_100000210052_100000210968 [0,2,0,0,0,0|1,0,1]=4 10846 B13R1.19 COCC(=O)Nc1ccc(cc1)Cl 34a_100138415774_100000182960 [0,2,0,0,0,0|1,0,1]=4 10847 B13R1.19 COCC(=O)Nc1ccc(cc1)Cl 527a_100000210052_100000210968 [0,2,0,0,0,0|1,0,1]=4 10848 B13R1.19 COCC(=O)Oc1ccc(cc1)Br 34a_100138415774_200010760497 [0,2,0,0,0,0|0,1,1]=4 10849 B13R1.19 COCC(C)Nc1ccc(cc1)Br 2230a_100000210018_100000765312 [0,2,0,0,0,0|1,1,0]=4 10850 B13R1.19 COCC(C)Nc1ccc(cc1)Br 34a_100000210018_100000765312 [0,2,0,0,0,0|1,1,0]=4 10851 B13R1.19 COCC(C)Nc1ccc(cc1)C 34a_100000124888_100000765312 [0,2,0,0,0,0|2,0,0]=4 10852 B13R1.19 COCC(C)Nc1ccc(cc1)Cl 2230a_100000210052_100000765312 [0,2,0,0,0,0|1,0,0]=3 10853 B13R1.19 COCC(C)Nc1ccc(cc1)Cl 34a_100000210052_100000765312 [0,2,0,0,0,0|1,0,0]=3 10854 B13R1.19 COCC(C)Nc1ccc(cc1)F 34a_100000185862_100000765312 [0,2,0,0,0,0|1,1,0]=4 10855 B13R1.19 COCC(C)Nc1ccc(cc1)I 34a_100000185761_100000765312 [0,2,0,0,0,0|1,1,0]=4 10856 B13R1.19 COCC(C)Nc1ccc(cc1)O 34a_100000185829_100000765312 [0,2,0,0,0,0|2,0,0]=4 10857 B13R1.19 COCC(C)Oc1ccc(=O)[nH]c1 34a_100000075641_100000765312 [0,2,0,0,0,0|2,0,0]=4 10858 B13R1.19 COCC(C)Oc1ccc(cc1)Br 34a_100000185759_100000765312 [0,2,0,0,0,0|0,1,0]=3 10859 B13R1.19 COCC(C)Oc1ccc(cc1)Br 7a_100000185759_100000765312 [0,2,0,0,0,0|0,1,0]=3 10860 B13R1.19 COCC(C)Oc1ccc(cc1)C 34a_100000210336_100000765312 [0,2,0,0,0,0|1,0,0]=3 10861 B13R1.19 COCC(C)Oc1ccc(cc1)C 7a_100000210336_100000765312 [0,2,0,0,0,0|1,0,0]=3 10862 B13R1.19 COCC(C)Oc1ccc(cc1)Cl 34a_100000210216_100000765312 [0,2,0,0,0,0|0,0,0]=2 10863 B13R1.19 COCC(C)Oc1ccc(cc1)Cl 7a_100000210216_100000765312 [0,2,0,0,0,0|0,0,0]=2 10864 B13R1.19 COCC(C)Oc1ccc(cc1)F 34a_100000210339_100000765312 [0,2,0,0,0,0|0,1,0]=3 10865 B13R1.19 COCC(C)Oc1ccc(cc1)F 34a_100138415774_100010228477 [0,2,0,0,0,0|0,1,0]=3 10866 B13R1.19 COCC(C)Oc1ccc(cc1)I 34a_100000212066_100000765312 [0,2,0,0,0,0|0,1,0]=3 10867 B13R1.19 COCC(C)Oc1ccc(cc1)I 7a_100000212066_100000765312 [0,2,0,0,0,0|0,1,0]=3 10868 B13R1.19 COCC(C)Oc1ccc(cc1)N 34a_100000185829_100000765312 [0,2,0,0,0,0|1,0,0]=3 10869 B13R1.19 COCC(C)Oc1ccc(cn1)C 34a_100000759353_100000765312 [0,2,0,0,0,0|2,0,0]=4 10870 B13R1.19 COCC(C)Oc1ccc(cn1)Cl 34a_100011215309_100000765312 [0,2,0,0,0,0|1,0,0]=3 10871 B13R1.19 COCC(C)Oc1ccc(cn1)F 34a_100000742473_100000765312 [0,2,0,0,0,0|1,1,0]=4 10872 B13R1.19 COCC(C)Oc1ccc(cn1)N 34a_100000729260_100000765312 [0,2,0,0,0,0|2,0,0]=4 10873 B13R1.19 COCC(C)Oc1ccc(nc1)Br 34a_100000685995_100000765312 [0,2,0,0,0,0|1,1,0]=4 10874 B13R1.19 COCC(C)Oc1ccc(nc1)Br 7a_100000685995_100000765312 [0,2,0,0,0,0|1,1,0]=4 10875 B13R1.19 COCC(C)Oc1ccc(nc1)C 34a_100000745506_100000765312 [0,2,0,0,0,0|2,0,0]=4 10876 B13R1.19 COCC(C)Oc1ccc(nc1)C 7a_100000745506_100000765312 [0,2,0,0,0,0|2,0,0]=4 10877 B13R1.19 COCC(C)Oc1ccc(nc1)Cl 34a_100000744096_100000765312 [0,2,0,0,0,0|1,0,0]=3 10878 B13R1.19 COCC(C)Oc1ccc(nc1)Cl 7a_100000744096_100000765312 [0,2,0,0,0,0|1,0,0]=3 10879 B13R1.19 COCC(C)Oc1ccc(nc1)F 34a_100000688820_100000765312 [0,2,0,0,0,0|1,1,0]=4 10880 B13R1.19 COCC(C)Oc1ccc(nc1)F 7a_100000688820_100000765312 [0,2,0,0,0,0|1,1,0]=4 10881 B13R1.19 COCC(C)Oc1ccc(nc1)I 34a_100000687607_100000765312 [0,2,0,0,0,0|1,1,0]=4 10882 B13R1.19 COCC(C)Oc1ccc(nc1)I 7a_100000687607_100000765312 [0,2,0,0,0,0|1,1,0]=4 10883 B13R1.19 COCC(C)Oc1ccc(nc1)N 34a_100015188713_100000765312 [0,2,0,0,0,0|2,0,0]=4 10884 B13R1.19 COCC(C)Oc1ccc(nc1)N 7a_100015188713_100000765312 [0,2,0,0,0,0|2,0,0]=4 10885 B13R1.19 COCC(C)Oc1cnc(cn1)Cl 34a_100015839800_100000765312 [0,2,0,0,0,0|2,0,0]=4 10886 B13R1.19 COCC(C)Oc1cnc(nc1)Cl 34a_100000092845_100000765312 [0,2,0,0,0,0|2,0,0]=4 10887 B13R1.19 COCC(C)Oc1cnc(nc1)Cl 7a_100000092845_100000765312 [0,2,0,0,0,0|2,0,0]=4 10888 B13R1.19 COCC(C)Sc1ccc(cc1)Br 62a_100000752885_100000765312 [0,2,0,0,0,0|0,2,0]=4 10889 B13R1.19 COCC(C)Sc1ccc(cc1)Br 62a_100000765312_100000752885 [0,2,0,0,0,0|0,2,0]=4 10890 B13R1.19 COCC(C)Sc1ccc(cc1)C 62a_100000186775_100000765312 [0,2,0,0,0,0|1,1,0]=4 10891 B13R1.19 COCC(C)Sc1ccc(cc1)C 62a_100000765312_100000186775 [0,2,0,0,0,0|1,1,0]=4 10892 B13R1.19 COCC(C)Sc1ccc(cc1)Cl 62a_100000755918_100000765312 [0,2,0,0,0,0|0,1,0]=3 10893 B13R1.19 COCC(C)Sc1ccc(cc1)Cl 62a_100000765312_100000755918 [0,2,0,0,0,0|0,1,0]=3 10894 B13R1.19 COCC(C)Sc1ccc(cc1)F 62a_100000211213_100000765312 [0,2,0,0,0,0|0,2,0]=4 10895 B13R1.19 COCC(C)Sc1ccc(cc1)F 62a_100000765312_100000211213 [0,2,0,0,0,0|0,2,0]=4 10896 B13R1.19 COCC(C)Sc1ccc(cc1)N 62a_100000185761_100000765312 [0,2,0,0,0,0|1,1,0]=4 10897 B13R1.19 COCC(C)Sc1ccc(cc1)N 62a_100000765312_100000185761 [0,2,0,0,0,0|1,1,0]=4 10898 B13R1.19 COCC(C)Sc1ccc(cc1)O 62a_100000765312_100000185759 [0,2,0,0,0,0|1,1,0]=4 10899 B13R1.19 COCC(C)Sc1ccc(cn1)Cl 62a_100000765312_100011356976 [0,2,0,0,0,0|1,1,0]=4 10900 B13R1.19 COCC(C)Sc1ccc(cn1)Cl 62a_100011356976_100000765312 [0,2,0,0,0,0|1,1,0]=4 10901 B13R1.19 COCC(C)Sc1ccc(nc1)Cl 62a_100000034144_100000765312 [0,2,0,0,0,0|1,1,0]=4 10902 B13R1.19 COCC(C)Sc1ccc(nc1)Cl 62a_100000765312_100000034144 [0,2,0,0,0,0|1,1,0]=4 10903 B13R1.19 COCC(N)Cc1ccc(cc1)Cl 34a_100025702442_200000210301 [0,2,0,0,0,0|1,0,0]=3 10904 B13R1.19 COCN(C)Cc1ccc(cc1)Cl 2230a_100000184517_100000766300 [0,2,0,0,0,0|2,0,0]=4 10905 B13R1.19 COCN(C)Cc1ccc(cc1)Cl 269982a_100000184517_100000766300 [0,2,0,0,0,0|2,0,0]=4 10906 B13R1.19 CSCC(C)Oc1ccc(cc1)F 62a_100010228477_200000210301 [0,2,0,0,0,0|0,2,0]=4 10907 B13R1.19 CSCC(C)Oc1ccc(cc1)F 62a_200000210301_100010228477 [0,2,0,0,0,0|0,2,0]=4 10908 B13R1.19 Cc1ccc(cc1)CC(=O)CCO 1458a_100000212244_100000211926 [0,2,0,0,0,0|2,0,0]=4 10909 B13R1.19 Cc1ccc(cc1)CC(=O)CCO 1458a_100011216618_100000210814 [0,2,0,0,0,0|2,0,0]=4 10910 B13R1.19 Cc1ccc(cc1)CN(C)CCO 2230a_100000186992_200000210301 [0,2,0,0,0,0|2,0,0]=4 10911 B13R1.19 Cc1ccc(cc1)CN(C)CCO 2230a_100000210263_100000210814 [0,2,0,0,0,0|2,0,0]=4 10912 B13R1.19 Cc1ccc(cc1)CN(C)CCO 2230a_100000744650_100000211926 [0,2,0,0,0,0|2,0,0]=4 10913 B13R1.19 Cc1ccc(cc1)CN(C)CCO 269982a_100000186992_200000210301 [0,2,0,0,0,0|2,0,0]=4 10914 B13R1.19 Cc1ccc(cc1)CN(C)CCO 269982a_100000210263_100000210814 [0,2,0,0,0,0|2,0,0]=4 10915 B13R1.19 Cc1ccc(cc1)CN(C)CCO 269982a_100000744650_100000211926 [0,2,0,0,0,0|2,0,0]=4 10916 B13R1.19 Cc1ccc(cc1)CN(C)CCO 26a_100000210263_200020625495 [0,2,0,0,0,0|2,0,0]=4 10917 B13R1.19 Cc1ccc(cc1)CN(C)CCO 270004a_100000210263_100000211033 [0,2,0,0,0,0|2,0,0]=4 10918 B13R1.19 Cc1ccc(cc1)CN(C)CCO 34a_100000186992_200000210301 [0,2,0,0,0,0|2,0,0]=4 10919 B13R1.19 Cc1ccc(cc1)CN(C)CCO 34a_100000744650_100000211926 [0,2,0,0,0,0|2,0,0]=4 10920 B13R1.19 Cc1ccc(cc1)CN([13CH3])CCO 2230a_100000186992_200025704644 [0,2,0,0,0,0|2,0,0]=4 10921 B13R1.19 Cc1ccc(cc1)CN([13CH3])CCO 269982a_100000186992_200025704644 [0,2,0,0,0,0|2,0,0]=4 10922 B13R1.19 Cc1ccc(cc1)CN([13CH3])CCO 34a_100000186992_200025704644 [0,2,0,0,0,0|2,0,0]=4 10923 B13R1.19 Cc1ccc(cc1)NC(=O)CCO 22a_100000124888_100011216618 [0,2,0,0,0,0|2,0,0]=4 10924 B13R1.19 Cc1ccc(cc1)NC(C)CCO 34a_100000124888_100009893172 [0,2,0,0,0,0|2,0,0]=4 10925 B13R1.19 Cc1ccc(cc1)OC(C)CC#N 7a_100000210336_100009813641 [0,2,0,0,0,0|2,0,0]=4 10926 B13R1.19 Cc1ccc(cc1)OC(C)CCO 34a_100000210336_100009893172 [0,2,0,0,0,0|1,0,0]=3 10927 B13R1.19 Cc1ccc(cc1)OC(C)CCO 7a_100000210336_100009893172 [0,2,0,0,0,0|1,0,0]=3 10928 B13R1.19 Cc1ccc(cc1)OC(C)CN[13CH3] 2230a_100000763606_200025704644 [0,2,0,0,0,0|2,0,0]=4 10929 B13R1.19 Cc1ccc(cc1)OC(C)CN[13CH3] 34a_100000763606_200025704644 [0,2,0,0,0,0|2,0,0]=4 10930 B13R1.19 Cc1ccc(cc1)SC(C)CCO 62a_100000186775_100009893172 [0,2,0,0,0,0|1,1,0]=4 10931 B13R1.19 Cc1ccc(cc1)SC(C)CCO 62a_100009893172_100000186775 [0,2,0,0,0,0|1,1,0]=4 10932 B13R1.19 Cc1ccc(cn1)OC(C)CCO 34a_100000745506_100009893172 [0,2,0,0,0,0|2,0,0]=4 10933 B13R1.19 Cc1ccc(cn1)OC(C)CCO 7a_100000745506_100009893172 [0,2,0,0,0,0|2,0,0]=4 10934 B13R1.19 Cc1ccc(nc1)OC(C)CCO 34a_100000759353_100009893172 [0,2,0,0,0,0|2,0,0]=4 10935 B13R1.19 O=C(CCF)Cc1ccc(cc1)Cl 1458a_100000211027_100011217306 [0,2,0,0,0,0|2,0,0]=4 10936 B13R1.19 O=C(CCO)Cc1ccc(cc1)Br 1458a_100000198978_100000211926 [0,2,0,0,0,0|1,1,0]=4 10937 B13R1.19 O=C(CCO)Cc1ccc(cc1)Br 1458a_100011216618_100000189115 [0,2,0,0,0,0|1,1,0]=4 10938 B13R1.19 O=C(CCO)Cc1ccc(cc1)Cl 1458a_100000211027_100000211926 [0,2,0,0,0,0|1,0,0]=3 10939 B13R1.19 O=C(CCO)Cc1ccc(cc1)Cl 1458a_100011216618_100000694040 [0,2,0,0,0,0|1,0,0]=3 10940 B13R1.19 O=C(CCO)Cc1ccc(cc1)F 1458a_100000210951_100000211926 [0,2,0,0,0,0|1,1,0]=4 10941 B13R1.19 O=C(CCO)Cc1ccc(cc1)F 1458a_100011216618_100000198546 [0,2,0,0,0,0|1,1,0]=4 10942 B13R1.19 O=C(CCO)Cc1ccc(cc1)I 1458a_100000688869_100000211926 [0,2,0,0,0,0|1,1,0]=4 10943 B13R1.19 O=C(CCO)Cc1ccc(cc1)I 1458a_100011216618_100000189116 [0,2,0,0,0,0|1,1,0]=4 10944 B13R1.19 O=C(CCO)Cc1ccc(cc1)O 1458a_100000198540_100000211926 [0,2,0,0,0,0|2,0,0]=4 10945 B13R1.19 O=C(CCO)Cc1ccc(cn1)Cl 1458a_100000728320_100000211926 [0,2,0,0,0,0|2,0,0]=4 10946 B13R1.19 O=C(CCO)Cc1ccc(cn1)Cl 1458a_100011216618_100012066911 [0,2,0,0,0,0|2,0,0]=4 10947 B13R1.19 O=C(CCO)Cc1ccc(nc1)Cl 1458a_100000061944_100000211926 [0,2,0,0,0,0|2,0,0]=4 10948 B13R1.19 O=C(CCO)Cc1ccc(nc1)Cl 1458a_100011216618_100000735431 [0,2,0,0,0,0|2,0,0]=4 10949 B13R1.19 O=C(CCO)Nc1ccc(cc1)Br 22a_100000210018_100011216618 [0,2,0,0,0,0|1,1,0]=4 10950 B13R1.19 O=C(CCO)Nc1ccc(cc1)Cl 22a_100000210052_100011216618 [0,2,0,0,0,0|1,0,0]=3 10951 B13R1.19 O=C(CCO)Nc1ccc(cc1)F 22a_100000185862_100011216618 [0,2,0,0,0,0|1,1,0]=4 10952 B13R1.19 O=C(CCO)Nc1ccc(cc1)I 22a_100000185761_100011216618 [0,2,0,0,0,0|1,1,0]=4 10953 B13R1.19 O=C(CCO)Nc1ccc(cc1)O 22a_100000185829_100011216618 [0,2,0,0,0,0|2,0,0]=4 10954 B13R1.19 [13CH3]N(CCO)Cc1ccc(cc1)Br 2230a_100000186819_200025704644 [0,2,0,0,0,0|1,1,0]=4 10955 B13R1.19 [13CH3]N(CCO)Cc1ccc(cc1)Br 269982a_100000186819_200025704644 [0,2,0,0,0,0|1,1,0]=4 10956 B13R1.19 [13CH3]N(CCO)Cc1ccc(cc1)Br 34a_100000186819_200025704644 [0,2,0,0,0,0|1,1,0]=4 10957 B13R1.19 [13CH3]N(CCO)Cc1ccc(cc1)F 2230a_100015183715_200025704644 [0,2,0,0,0,0|1,1,0]=4 10958 B13R1.19 [13CH3]N(CCO)Cc1ccc(cc1)F 269982a_100015183715_200025704644 [0,2,0,0,0,0|1,1,0]=4 10959 B13R1.19 [13CH3]N(CCO)Cc1ccc(cc1)F 34a_100015183715_200025704644 [0,2,0,0,0,0|1,1,0]=4 10960 B13R1.19 [13CH3]OCC(N)Cc1ccc(cc1)Cl 34a_100025702442_200025704644 [0,2,0,0,0,0|1,0,0]=3 10961 B13R1.369 BrCCOCc1ccc(cc1Br)Br 34a_100000211926_200012351560 [0,2,0,0,0,0|1,1,0]=4 10962 B13R1.369 BrCCOCc1ccc(cc1Br)I 34a_100000211926_100010146610 [0,2,0,0,0,0|1,1,0]=4 10963 B13R1.369 BrCCOCc1ccc(cc1I)Br 34a_100000211926_100010146615 [0,2,0,0,0,0|1,1,0]=4 10964 B13R1.369 C#CCCNc1ccc(cc1Br)Cl 34a_100000752454_100000688953 [0,2,0,0,0,0|2,0,0]=4 10965 B13R1.369 C#CCCNc1ccc(cc1C)Cl 34a_100000210418_100000688953 [0,2,0,0,0,0|2,0,0]=4 10966 B13R1.369 C#CCCNc1ccc(cc1C)Cl 7a_100000210418_100000688953 [0,2,0,0,0,0|2,0,0]=4 10967 B13R1.369 C#CCCNc1ccc(cc1Cl)Cl 34a_100000185861_100000688953 [0,2,0,0,0,0|2,0,0]=4 10968 B13R1.369 C#CCCNc1ccc(cc1F)Cl 34a_100000211020_100000688953 [0,2,0,0,0,0|2,0,0]=4 10969 B13R1.369 C#CCCNc1ccc(cc1I)Cl 34a_100000761889_100000688953 [0,2,0,0,0,0|2,0,0]=4 10970 B13R1.369 C#CCCNc1ccc(cc1O)Cl 34a_100000185728_100000688953 [0,2,0,0,0,0|2,0,0]=4 10971 B13R1.369 C#CCCOc1ccc(cc1Br)Br 34a_100000188717_100000688953 [0,2,0,0,0,0|1,1,0]=4 10972 B13R1.369 C#CCCOc1ccc(cc1Br)Br 7a_100000188717_100000688953 [0,2,0,0,0,0|1,1,0]=4 10973 B13R1.369 C#CCCOc1ccc(cc1Br)C 34a_100000210800_100000688953 [0,2,0,0,0,0|2,0,0]=4 10974 B13R1.369 C#CCCOc1ccc(cc1Br)C 7a_100000210800_100000688953 [0,2,0,0,0,0|2,0,0]=4 10975 B13R1.369 C#CCCOc1ccc(cc1Br)Cl 34a_100000211998_100000688953 [0,2,0,0,0,0|1,0,0]=3 10976 B13R1.369 C#CCCOc1ccc(cc1Br)Cl 7a_100000211998_100000688953 [0,2,0,0,0,0|1,0,0]=3 10977 B13R1.369 C#CCCOc1ccc(cc1Br)F 34a_100000211999_100000688953 [0,2,0,0,0,0|1,1,0]=4 10978 B13R1.369 C#CCCOc1ccc(cc1Br)F 7a_100000211999_100000688953 [0,2,0,0,0,0|1,1,0]=4 10979 B13R1.369 C#CCCOc1ccc(cc1Br)I 34a_100012361655_100000688953 [0,2,0,0,0,0|1,1,0]=4 10980 B13R1.369 C#CCCOc1ccc(cc1Br)I 7a_100012361655_100000688953 [0,2,0,0,0,0|1,1,0]=4 10981 B13R1.369 C#CCCOc1ccc(cc1Br)N 34a_100011534360_100000688953 [0,2,0,0,0,0|2,0,0]=4 10982 B13R1.369 C#CCCOc1ccc(cc1Br)N 7a_100011534360_100000688953 [0,2,0,0,0,0|2,0,0]=4 10983 B13R1.369 C#CCCOc1ccc(cc1C)Br 34a_100000186361_100000688953 [0,2,0,0,0,0|1,1,0]=4 10984 B13R1.369 C#CCCOc1ccc(cc1C)Br 7a_100000186361_100000688953 [0,2,0,0,0,0|1,1,0]=4 10985 B13R1.369 C#CCCOc1ccc(cc1C)C 34a_100000211776_100000688953 [0,2,0,0,0,0|2,0,0]=4 10986 B13R1.369 C#CCCOc1ccc(cc1C)C 7a_100000211776_100000688953 [0,2,0,0,0,0|2,0,0]=4 10987 B13R1.369 C#CCCOc1ccc(cc1C)Cl 34a_100000211091_100000688953 [0,2,0,0,0,0|1,0,0]=3 10988 B13R1.369 C#CCCOc1ccc(cc1C)Cl 7a_100000211091_100000688953 [0,2,0,0,0,0|1,0,0]=3 10989 B13R1.369 C#CCCOc1ccc(cc1C)F 34a_100000764316_100000688953 [0,2,0,0,0,0|1,1,0]=4 10990 B13R1.369 C#CCCOc1ccc(cc1C)F 7a_100000764316_100000688953 [0,2,0,0,0,0|1,1,0]=4 10991 B13R1.369 C#CCCOc1ccc(cc1C)I 34a_100011218673_100000688953 [0,2,0,0,0,0|1,1,0]=4 10992 B13R1.369 C#CCCOc1ccc(cc1C)I 7a_100011218673_100000688953 [0,2,0,0,0,0|1,1,0]=4 10993 B13R1.369 C#CCCOc1ccc(cc1C)N 34a_100011218179_100000688953 [0,2,0,0,0,0|2,0,0]=4 10994 B13R1.369 C#CCCOc1ccc(cc1C)N 7a_100011218179_100000688953 [0,2,0,0,0,0|2,0,0]=4 10995 B13R1.369 C#CCCOc1ccc(cc1Cl)Br 34a_100000186472_100000688953 [0,2,0,0,0,0|1,1,0]=4 10996 B13R1.369 C#CCCOc1ccc(cc1Cl)Br 7a_100000186472_100000688953 [0,2,0,0,0,0|1,1,0]=4 10997 B13R1.369 C#CCCOc1ccc(cc1Cl)C 34a_100000749699_100000688953 [0,2,0,0,0,0|2,0,0]=4 10998 B13R1.369 C#CCCOc1ccc(cc1Cl)C 7a_100000749699_100000688953 [0,2,0,0,0,0|2,0,0]=4 10999 B13R1.369 C#CCCOc1ccc(cc1Cl)Cl 34a_100015191787_100000688953 [0,2,0,0,0,0|1,0,0]=3 11000 B13R1.369 C#CCCOc1ccc(cc1Cl)Cl 7a_100015191787_100000688953 [0,2,0,0,0,0|1,0,0]=3 11001 B13R1.369 C#CCCOc1ccc(cc1Cl)F 34a_100000212004_100000688953 [0,2,0,0,0,0|1,1,0]=4 11002 B13R1.369 C#CCCOc1ccc(cc1Cl)F 7a_100000212004_100000688953 [0,2,0,0,0,0|1,1,0]=4 11003 B13R1.369 C#CCCOc1ccc(cc1Cl)I 34a_100012360047_100000688953 [0,2,0,0,0,0|1,1,0]=4 11004 B13R1.369 C#CCCOc1ccc(cc1Cl)I 7a_100012360047_100000688953 [0,2,0,0,0,0|1,1,0]=4 11005 B13R1.369 C#CCCOc1ccc(cc1Cl)N 34a_100000744943_100000688953 [0,2,0,0,0,0|2,0,0]=4 11006 B13R1.369 C#CCCOc1ccc(cc1Cl)N 7a_100000744943_100000688953 [0,2,0,0,0,0|2,0,0]=4 11007 B13R1.369 C#CCCOc1ccc(cc1F)Br 34a_100000185481_100000688953 [0,2,0,0,0,0|1,1,0]=4 11008 B13R1.369 C#CCCOc1ccc(cc1F)Br 7a_100000185481_100000688953 [0,2,0,0,0,0|1,1,0]=4 11009 B13R1.369 C#CCCOc1ccc(cc1F)C 34a_100011216688_100000688953 [0,2,0,0,0,0|2,0,0]=4 11010 B13R1.369 C#CCCOc1ccc(cc1F)C 7a_100011216688_100000688953 [0,2,0,0,0,0|2,0,0]=4 11011 B13R1.369 C#CCCOc1ccc(cc1F)Cl 34a_100000230166_100000688953 [0,2,0,0,0,0|1,0,0]=3 11012 B13R1.369 C#CCCOc1ccc(cc1F)Cl 7a_100000230166_100000688953 [0,2,0,0,0,0|1,0,0]=3 11013 B13R1.369 C#CCCOc1ccc(cc1F)F 34a_100000230127_100000688953 [0,2,0,0,0,0|1,1,0]=4 11014 B13R1.369 C#CCCOc1ccc(cc1F)F 7a_100000230127_100000688953 [0,2,0,0,0,0|1,1,0]=4 11015 B13R1.369 C#CCCOc1ccc(cc1F)I 34a_100011356965_100000688953 [0,2,0,0,0,0|1,1,0]=4 11016 B13R1.369 C#CCCOc1ccc(cc1F)I 7a_100011356965_100000688953 [0,2,0,0,0,0|1,1,0]=4 11017 B13R1.369 C#CCCOc1ccc(cc1F)N 34a_100011220035_100000688953 [0,2,0,0,0,0|2,0,0]=4 11018 B13R1.369 C#CCCOc1ccc(cc1F)N 7a_100011220035_100000688953 [0,2,0,0,0,0|2,0,0]=4 11019 B13R1.369 C#CCCOc1ccc(cc1I)Br 34a_100012355227_100000688953 [0,2,0,0,0,0|1,1,0]=4 11020 B13R1.369 C#CCCOc1ccc(cc1I)Br 7a_100012355227_100000688953 [0,2,0,0,0,0|1,1,0]=4 11021 B13R1.369 C#CCCOc1ccc(cc1I)C 34a_100000765521_100000688953 [0,2,0,0,0,0|2,0,0]=4 11022 B13R1.369 C#CCCOc1ccc(cc1I)C 7a_100000765521_100000688953 [0,2,0,0,0,0|2,0,0]=4 11023 B13R1.369 C#CCCOc1ccc(cc1I)Cl 34a_100011356953_100000688953 [0,2,0,0,0,0|1,0,0]=3 11024 B13R1.369 C#CCCOc1ccc(cc1I)Cl 7a_100011356953_100000688953 [0,2,0,0,0,0|1,0,0]=3 11025 B13R1.369 C#CCCOc1ccc(cc1I)F 34a_100012355409_100000688953 [0,2,0,0,0,0|1,1,0]=4 11026 B13R1.369 C#CCCOc1ccc(cc1I)F 7a_100012355409_100000688953 [0,2,0,0,0,0|1,1,0]=4 11027 B13R1.369 C#CCCOc1ccc(cc1I)I 7a_100010001573_100000688953 [0,2,0,0,0,0|1,1,0]=4 11028 B13R1.369 C#CCCOc1ccc(cc1N)Br 34a_100000752626_100000688953 [0,2,0,0,0,0|1,1,0]=4 11029 B13R1.369 C#CCCOc1ccc(cc1N)Br 7a_100000752626_100000688953 [0,2,0,0,0,0|1,1,0]=4 11030 B13R1.369 C#CCCOc1ccc(cc1N)C 34a_100011215204_100000688953 [0,2,0,0,0,0|2,0,0]=4 11031 B13R1.369 C#CCCOc1ccc(cc1N)C 7a_100011215204_100000688953 [0,2,0,0,0,0|2,0,0]=4 11032 B13R1.369 C#CCCOc1ccc(cc1N)Cl 34a_100000210500_100000688953 [0,2,0,0,0,0|1,0,0]=3 11033 B13R1.369 C#CCCOc1ccc(cc1N)Cl 7a_100000210500_100000688953 [0,2,0,0,0,0|1,0,0]=3 11034 B13R1.369 C#CCCOc1ccc(cc1N)F 34a_100000759472_100000688953 [0,2,0,0,0,0|1,1,0]=4 11035 B13R1.369 C#CCCOc1ccc(cc1N)F 7a_100000759472_100000688953 [0,2,0,0,0,0|1,1,0]=4 11036 B13R1.369 C#CCCOc1ccc(cc1N)I 34a_100000753495_100000688953 [0,2,0,0,0,0|1,1,0]=4 11037 B13R1.369 C#CCCOc1ccc(cc1N)I 7a_100000753495_100000688953 [0,2,0,0,0,0|1,1,0]=4 11038 B13R1.369 C#CCCOc1ccc(cc1N)N 34a_100000725306_100000688953 [0,2,0,0,0,0|2,0,0]=4 11039 B13R1.369 C#CCCOc1ccc(nc1Br)Cl 34a_100010219353_100000688953 [0,2,0,0,0,0|2,0,0]=4 11040 B13R1.369 C#CCCOc1ccc(nc1Br)Cl 7a_100010219353_100000688953 [0,2,0,0,0,0|2,0,0]=4 11041 B13R1.369 C#CCCOc1ccc(nc1C)Cl 34a_100012184626_100000688953 [0,2,0,0,0,0|2,0,0]=4 11042 B13R1.369 C#CCCOc1ccc(nc1C)Cl 7a_100012184626_100000688953 [0,2,0,0,0,0|2,0,0]=4 11043 B13R1.369 C#CCCOc1ccc(nc1Cl)Cl 34a_100000101165_100000688953 [0,2,0,0,0,0|2,0,0]=4 11044 B13R1.369 C#CCCOc1ccc(nc1Cl)Cl 7a_100000101165_100000688953 [0,2,0,0,0,0|2,0,0]=4 11045 B13R1.369 C#CCCOc1ccc(nc1F)Cl 34a_100009880201_100000688953 [0,2,0,0,0,0|2,0,0]=4 11046 B13R1.369 C#CCCOc1ccc(nc1F)Cl 7a_100009880201_100000688953 [0,2,0,0,0,0|2,0,0]=4 11047 B13R1.369 C#CCCOc1ccc(nc1I)Cl 34a_100000696390_100000688953 [0,2,0,0,0,0|2,0,0]=4 11048 B13R1.369 C#CCCOc1ccc(nc1I)Cl 7a_100000696390_100000688953 [0,2,0,0,0,0|2,0,0]=4 11049 B13R1.369 C#CCCOc1ccc(nc1N)Cl 34a_100000717809_100000688953 [0,2,0,0,0,0|2,0,0]=4 11050 B13R1.369 C#CCCOc1ccc(nc1N)Cl 7a_100000717809_100000688953 [0,2,0,0,0,0|2,0,0]=4 11051 B13R1.369 C#CCCOc1cnc(cc1C)Cl 34a_100000692680_100000688953 [0,2,0,0,0,0|2,0,0]=4 11052 B13R1.369 C#CCCOc1cnc(cc1C)Cl 7a_100000692680_100000688953 [0,2,0,0,0,0|2,0,0]=4 11053 B13R1.369 C#CCCOc1cnc(cc1Cl)Cl 34a_100009868576_100000688953 [0,2,0,0,0,0|2,0,0]=4 11054 B13R1.369 C#CCCOc1cnc(cc1Cl)Cl 7a_100009868576_100000688953 [0,2,0,0,0,0|2,0,0]=4 11055 B13R1.369 C#CCCOc1cnc(cc1I)Cl 34a_100000698892_100000688953 [0,2,0,0,0,0|2,0,0]=4 11056 B13R1.369 C#CCCOc1cnc(cc1I)Cl 7a_100000698892_100000688953 [0,2,0,0,0,0|2,0,0]=4 11057 B13R1.369 C#CCCOc1ncc(cc1F)Cl 34a_100011998252_100000688953 [0,2,0,0,0,0|2,0,0]=4 11058 B13R1.369 C#CCCOc1ncc(cc1N)Cl 34a_100011998249_100000688953 [0,2,0,0,0,0|2,0,0]=4 11059 B13R1.369 C#CCCSc1ccc(cc1Br)Cl 62a_100000688953_100011219703 [0,2,0,0,0,0|1,1,0]=4 11060 B13R1.369 C#CCCSc1ccc(cc1Br)Cl 62a_100011219703_100000688953 [0,2,0,0,0,0|1,1,0]=4 11061 B13R1.369 C#CCCSc1ccc(cc1C)Cl 62a_100000688953_100011219607 [0,2,0,0,0,0|1,1,0]=4 11062 B13R1.369 C#CCCSc1ccc(cc1C)Cl 62a_100011219607_100000688953 [0,2,0,0,0,0|1,1,0]=4 11063 B13R1.369 C#CCCSc1ccc(cc1Cl)Cl 62a_100000688953_100000699841 [0,2,0,0,0,0|1,1,0]=4 11064 B13R1.369 C#CCCSc1ccc(cc1Cl)Cl 62a_100000699841_100000688953 [0,2,0,0,0,0|1,1,0]=4 11065 B13R1.369 C#CCCSc1ccc(cc1F)Cl 62a_100000688953_100011216042 [0,2,0,0,0,0|1,1,0]=4 11066 B13R1.369 C#CCCSc1ccc(cc1F)Cl 62a_100011216042_100000688953 [0,2,0,0,0,0|1,1,0]=4 11067 B13R1.369 C#CCCSc1ccc(cc1N)Cl 62a_100000688953_100000761886 [0,2,0,0,0,0|1,1,0]=4 11068 B13R1.369 C#CCCSc1ccc(cc1N)Cl 62a_100000761886_100000688953 [0,2,0,0,0,0|1,1,0]=4 11069 B13R1.369 C#CCCSc1ccc(cc1O)Cl 62a_100000050036_100000688953 [0,2,0,0,0,0|1,1,0]=4 11070 B13R1.369 C#CCCSc1ccc(cc1O)Cl 62a_100000688953_100000050036 [0,2,0,0,0,0|1,1,0]=4 11071 B13R1.369 C#CCOCc1ccc(cc1Br)Cl 34a_100000210247_100000755608 [0,2,0,0,0,0|1,0,1]=4 11072 B13R1.369 C#CCOCc1ccc(cc1Br)Cl 34a_100000707881_100000184674 [0,2,0,0,0,0|1,0,1]=4 11073 B13R1.369 C#CCOCc1ccc(cc1Br)Cl 7a_100000707881_100000038162 [0,2,0,0,0,0|1,0,1]=4 11074 B13R1.369 C#CCOCc1ccc(cc1C)Cl 34a_100000210247_100012361307 [0,2,0,0,0,0|1,0,1]=4 11075 B13R1.369 C#CCOCc1ccc(cc1C)Cl 34a_100000702939_100000184674 [0,2,0,0,0,0|1,0,1]=4 11076 B13R1.369 C#CCOCc1ccc(cc1C)Cl 7a_100000702939_100000038162 [0,2,0,0,0,0|1,0,1]=4 11077 B13R1.369 C#CCOCc1ccc(cc1Cl)Cl 34a_100000210247_100000188473 [0,2,0,0,0,0|1,0,1]=4 11078 B13R1.369 C#CCOCc1ccc(cc1Cl)Cl 34a_100000215721_100000184674 [0,2,0,0,0,0|1,0,1]=4 11079 B13R1.369 C#CCOCc1ccc(cc1Cl)Cl 7a_100000215721_100000038162 [0,2,0,0,0,0|1,0,1]=4 11080 B13R1.369 C#CCOCc1ccc(cc1F)Cl 34a_100000210247_100000709361 [0,2,0,0,0,0|1,0,1]=4 11081 B13R1.369 C#CCOCc1ccc(cc1F)Cl 34a_100011217562_100000184674 [0,2,0,0,0,0|1,0,1]=4 11082 B13R1.369 C#CCOCc1ccc(cc1F)Cl 7a_100011217562_100000038162 [0,2,0,0,0,0|1,0,1]=4 11083 B13R1.369 C#CCOCc1ccc(cc1I)Cl 34a_100000210247_100010254388 [0,2,0,0,0,0|1,0,1]=4 11084 B13R1.369 C#CCOCc1ccc(cc1I)Cl 34a_100000722340_100000184674 [0,2,0,0,0,0|1,0,1]=4 11085 B13R1.369 C#CCOCc1ccc(cc1I)Cl 7a_100000722340_100000038162 [0,2,0,0,0,0|1,0,1]=4 11086 B13R1.369 C#CCOCc1ccc(cc1N)Cl 34a_100000238622_100000184674 [0,2,0,0,0,0|1,0,1]=4 11087 B13R1.369 C#CCOCc1ccc(cc1N)Cl 7a_100000238622_100000038162 [0,2,0,0,0,0|1,0,1]=4 11088 B13R1.369 C/C=C/COc1ccc(cc1Br)Cl 34a_100000211998_100102629194 [0,2,0,0,0,0|1,0,1]=4 11089 B13R1.369 C/C=C/COc1ccc(cc1Br)Cl 7a_100000211998_100102629194 [0,2,0,0,0,0|1,0,1]=4 11090 B13R1.369 C/C=C/COc1ccc(cc1C)Cl 34a_100000211091_100102629194 [0,2,0,0,0,0|1,0,1]=4 11091 B13R1.369 C/C=C/COc1ccc(cc1C)Cl 7a_100000211091_100102629194 [0,2,0,0,0,0|1,0,1]=4 11092 B13R1.369 C/C=C/COc1ccc(cc1Cl)Cl 34a_100015191787_100102629194 [0,2,0,0,0,0|1,0,1]=4 11093 B13R1.369 C/C=C/COc1ccc(cc1Cl)Cl 7a_100015191787_100102629194 [0,2,0,0,0,0|1,0,1]=4 11094 B13R1.369 C/C=C/COc1ccc(cc1F)Cl 34a_100000230166_100102629194 [0,2,0,0,0,0|1,0,1]=4 11095 B13R1.369 C/C=C/COc1ccc(cc1F)Cl 7a_100000230166_100102629194 [0,2,0,0,0,0|1,0,1]=4 11096 B13R1.369 C/C=C/COc1ccc(cc1I)Cl 34a_100011356953_100102629194 [0,2,0,0,0,0|1,0,1]=4 11097 B13R1.369 C/C=C/COc1ccc(cc1I)Cl 7a_100011356953_100102629194 [0,2,0,0,0,0|1,0,1]=4 11098 B13R1.369 C/C=C/COc1ccc(cc1N)Cl 34a_100000210500_100102629194 [0,2,0,0,0,0|1,0,1]=4 11099 B13R1.369 C/C=C/COc1ccc(cc1N)Cl 7a_100000210500_100102629194 [0,2,0,0,0,0|1,0,1]=4 11100 B13R1.369 C=CCCNc1ccc(cc1Br)Cl 34a_100000752454_100000754431 [0,2,0,0,0,0|2,0,0]=4 11101 B13R1.369 C=CCCNc1ccc(cc1C)Cl 34a_100000210418_100000754431 [0,2,0,0,0,0|2,0,0]=4 11102 B13R1.369 C=CCCNc1ccc(cc1C)Cl 7a_100000210418_100000754431 [0,2,0,0,0,0|2,0,0]=4 11103 B13R1.369 C=CCCNc1ccc(cc1Cl)Cl 34a_100000185861_100000754431 [0,2,0,0,0,0|2,0,0]=4 11104 B13R1.369 C=CCCNc1ccc(cc1F)Cl 34a_100000211020_100000754431 [0,2,0,0,0,0|2,0,0]=4 11105 B13R1.369 C=CCCNc1ccc(cc1I)Cl 34a_100000761889_100000754431 [0,2,0,0,0,0|2,0,0]=4 11106 B13R1.369 C=CCCNc1ccc(cc1O)Cl 34a_100000185728_100000754431 [0,2,0,0,0,0|2,0,0]=4 11107 B13R1.369 C=CCCOc1ccc(cc1Br)Br 34a_100000188717_100000754431 [0,2,0,0,0,0|1,1,0]=4 11108 B13R1.369 C=CCCOc1ccc(cc1Br)Br 7a_100000188717_100000754431 [0,2,0,0,0,0|1,1,0]=4 11109 B13R1.369 C=CCCOc1ccc(cc1Br)C 34a_100000210800_100000754431 [0,2,0,0,0,0|2,0,0]=4 11110 B13R1.369 C=CCCOc1ccc(cc1Br)C 7a_100000210800_100000754431 [0,2,0,0,0,0|2,0,0]=4 11111 B13R1.369 C=CCCOc1ccc(cc1Br)Cl 34a_100000211998_100000754431 [0,2,0,0,0,0|1,0,0]=3 11112 B13R1.369 C=CCCOc1ccc(cc1Br)Cl 7a_100000211998_100000754431 [0,2,0,0,0,0|1,0,0]=3 11113 B13R1.369 C=CCCOc1ccc(cc1Br)F 34a_100000211999_100000754431 [0,2,0,0,0,0|1,1,0]=4 11114 B13R1.369 C=CCCOc1ccc(cc1Br)F 7a_100000211999_100000754431 [0,2,0,0,0,0|1,1,0]=4 11115 B13R1.369 C=CCCOc1ccc(cc1Br)I 34a_100012361655_100000754431 [0,2,0,0,0,0|1,1,0]=4 11116 B13R1.369 C=CCCOc1ccc(cc1Br)I 7a_100012361655_100000754431 [0,2,0,0,0,0|1,1,0]=4 11117 B13R1.369 C=CCCOc1ccc(cc1Br)N 34a_100011534360_100000754431 [0,2,0,0,0,0|2,0,0]=4 11118 B13R1.369 C=CCCOc1ccc(cc1Br)N 7a_100011534360_100000754431 [0,2,0,0,0,0|2,0,0]=4 11119 B13R1.369 C=CCCOc1ccc(cc1C)Br 34a_100000186361_100000754431 [0,2,0,0,0,0|1,1,0]=4 11120 B13R1.369 C=CCCOc1ccc(cc1C)Br 7a_100000186361_100000754431 [0,2,0,0,0,0|1,1,0]=4 11121 B13R1.369 C=CCCOc1ccc(cc1C)C 34a_100000211776_100000754431 [0,2,0,0,0,0|2,0,0]=4 11122 B13R1.369 C=CCCOc1ccc(cc1C)C 7a_100000211776_100000754431 [0,2,0,0,0,0|2,0,0]=4 11123 B13R1.369 C=CCCOc1ccc(cc1C)Cl 34a_100000211091_100000754431 [0,2,0,0,0,0|1,0,0]=3 11124 B13R1.369 C=CCCOc1ccc(cc1C)Cl 7a_100000211091_100000754431 [0,2,0,0,0,0|1,0,0]=3 11125 B13R1.369 C=CCCOc1ccc(cc1C)F 34a_100000764316_100000754431 [0,2,0,0,0,0|1,1,0]=4 11126 B13R1.369 C=CCCOc1ccc(cc1C)F 7a_100000764316_100000754431 [0,2,0,0,0,0|1,1,0]=4 11127 B13R1.369 C=CCCOc1ccc(cc1C)I 34a_100011218673_100000754431 [0,2,0,0,0,0|1,1,0]=4 11128 B13R1.369 C=CCCOc1ccc(cc1C)I 7a_100011218673_100000754431 [0,2,0,0,0,0|1,1,0]=4 11129 B13R1.369 C=CCCOc1ccc(cc1C)N 34a_100011218179_100000754431 [0,2,0,0,0,0|2,0,0]=4 11130 B13R1.369 C=CCCOc1ccc(cc1C)N 7a_100011218179_100000754431 [0,2,0,0,0,0|2,0,0]=4 11131 B13R1.369 C=CCCOc1ccc(cc1Cl)Br 34a_100000186472_100000754431 [0,2,0,0,0,0|1,1,0]=4 11132 B13R1.369 C=CCCOc1ccc(cc1Cl)Br 7a_100000186472_100000754431 [0,2,0,0,0,0|1,1,0]=4 11133 B13R1.369 C=CCCOc1ccc(cc1Cl)C 34a_100000749699_100000754431 [0,2,0,0,0,0|2,0,0]=4 11134 B13R1.369 C=CCCOc1ccc(cc1Cl)C 7a_100000749699_100000754431 [0,2,0,0,0,0|2,0,0]=4 11135 B13R1.369 C=CCCOc1ccc(cc1Cl)Cl 34a_100015191787_100000754431 [0,2,0,0,0,0|1,0,0]=3 11136 B13R1.369 C=CCCOc1ccc(cc1Cl)Cl 7a_100015191787_100000754431 [0,2,0,0,0,0|1,0,0]=3 11137 B13R1.369 C=CCCOc1ccc(cc1Cl)F 34a_100000212004_100000754431 [0,2,0,0,0,0|1,1,0]=4 11138 B13R1.369 C=CCCOc1ccc(cc1Cl)F 7a_100000212004_100000754431 [0,2,0,0,0,0|1,1,0]=4 11139 B13R1.369 C=CCCOc1ccc(cc1Cl)I 34a_100012360047_100000754431 [0,2,0,0,0,0|1,1,0]=4 11140 B13R1.369 C=CCCOc1ccc(cc1Cl)I 7a_100012360047_100000754431 [0,2,0,0,0,0|1,1,0]=4 11141 B13R1.369 C=CCCOc1ccc(cc1Cl)N 34a_100000744943_100000754431 [0,2,0,0,0,0|2,0,0]=4 11142 B13R1.369 C=CCCOc1ccc(cc1Cl)N 7a_100000744943_100000754431 [0,2,0,0,0,0|2,0,0]=4 11143 B13R1.369 C=CCCOc1ccc(cc1F)Br 34a_100000185481_100000754431 [0,2,0,0,0,0|1,1,0]=4 11144 B13R1.369 C=CCCOc1ccc(cc1F)Br 7a_100000185481_100000754431 [0,2,0,0,0,0|1,1,0]=4 11145 B13R1.369 C=CCCOc1ccc(cc1F)C 34a_100011216688_100000754431 [0,2,0,0,0,0|2,0,0]=4 11146 B13R1.369 C=CCCOc1ccc(cc1F)C 7a_100011216688_100000754431 [0,2,0,0,0,0|2,0,0]=4 11147 B13R1.369 C=CCCOc1ccc(cc1F)Cl 34a_100000230166_100000754431 [0,2,0,0,0,0|1,0,0]=3 11148 B13R1.369 C=CCCOc1ccc(cc1F)Cl 7a_100000230166_100000754431 [0,2,0,0,0,0|1,0,0]=3 11149 B13R1.369 C=CCCOc1ccc(cc1F)F 34a_100000230127_100000754431 [0,2,0,0,0,0|1,1,0]=4 11150 B13R1.369 C=CCCOc1ccc(cc1F)F 7a_100000230127_100000754431 [0,2,0,0,0,0|1,1,0]=4 11151 B13R1.369 C=CCCOc1ccc(cc1F)I 34a_100011356965_100000754431 [0,2,0,0,0,0|1,1,0]=4 11152 B13R1.369 C=CCCOc1ccc(cc1F)I 7a_100011356965_100000754431 [0,2,0,0,0,0|1,1,0]=4 11153 B13R1.369 C=CCCOc1ccc(cc1F)N 34a_100011220035_100000754431 [0,2,0,0,0,0|2,0,0]=4 11154 B13R1.369 C=CCCOc1ccc(cc1F)N 7a_100011220035_100000754431 [0,2,0,0,0,0|2,0,0]=4 11155 B13R1.369 C=CCCOc1ccc(cc1I)Br 34a_100012355227_100000754431 [0,2,0,0,0,0|1,1,0]=4 11156 B13R1.369 C=CCCOc1ccc(cc1I)Br 7a_100012355227_100000754431 [0,2,0,0,0,0|1,1,0]=4 11157 B13R1.369 C=CCCOc1ccc(cc1I)C 34a_100000765521_100000754431 [0,2,0,0,0,0|2,0,0]=4 11158 B13R1.369 C=CCCOc1ccc(cc1I)C 7a_100000765521_100000754431 [0,2,0,0,0,0|2,0,0]=4 11159 B13R1.369 C=CCCOc1ccc(cc1I)Cl 34a_100011356953_100000754431 [0,2,0,0,0,0|1,0,0]=3 11160 B13R1.369 C=CCCOc1ccc(cc1I)Cl 7a_100011356953_100000754431 [0,2,0,0,0,0|1,0,0]=3 11161 B13R1.369 C=CCCOc1ccc(cc1I)F 34a_100012355409_100000754431 [0,2,0,0,0,0|1,1,0]=4 11162 B13R1.369 C=CCCOc1ccc(cc1I)F 7a_100012355409_100000754431 [0,2,0,0,0,0|1,1,0]=4 11163 B13R1.369 C=CCCOc1ccc(cc1I)I 7a_100010001573_100000754431 [0,2,0,0,0,0|1,1,0]=4 11164 B13R1.369 C=CCCOc1ccc(cc1N)Br 34a_100000752626_100000754431 [0,2,0,0,0,0|1,1,0]=4 11165 B13R1.369 C=CCCOc1ccc(cc1N)Br 7a_100000752626_100000754431 [0,2,0,0,0,0|1,1,0]=4 11166 B13R1.369 C=CCCOc1ccc(cc1N)C 34a_100011215204_100000754431 [0,2,0,0,0,0|2,0,0]=4 11167 B13R1.369 C=CCCOc1ccc(cc1N)C 7a_100011215204_100000754431 [0,2,0,0,0,0|2,0,0]=4 11168 B13R1.369 C=CCCOc1ccc(cc1N)Cl 34a_100000210500_100000754431 [0,2,0,0,0,0|1,0,0]=3 11169 B13R1.369 C=CCCOc1ccc(cc1N)Cl 7a_100000210500_100000754431 [0,2,0,0,0,0|1,0,0]=3 11170 B13R1.369 C=CCCOc1ccc(cc1N)F 34a_100000759472_100000754431 [0,2,0,0,0,0|1,1,0]=4 11171 B13R1.369 C=CCCOc1ccc(cc1N)F 7a_100000759472_100000754431 [0,2,0,0,0,0|1,1,0]=4 11172 B13R1.369 C=CCCOc1ccc(cc1N)I 34a_100000753495_100000754431 [0,2,0,0,0,0|1,1,0]=4 11173 B13R1.369 C=CCCOc1ccc(cc1N)I 7a_100000753495_100000754431 [0,2,0,0,0,0|1,1,0]=4 11174 B13R1.369 C=CCCOc1ccc(cc1N)N 34a_100000725306_100000754431 [0,2,0,0,0,0|2,0,0]=4 11175 B13R1.369 C=CCCOc1ccc(nc1Br)Cl 34a_100010219353_100000754431 [0,2,0,0,0,0|2,0,0]=4 11176 B13R1.369 C=CCCOc1ccc(nc1Br)Cl 7a_100010219353_100000754431 [0,2,0,0,0,0|2,0,0]=4 11177 B13R1.369 C=CCCOc1ccc(nc1C)Cl 34a_100012184626_100000754431 [0,2,0,0,0,0|2,0,0]=4 11178 B13R1.369 C=CCCOc1ccc(nc1C)Cl 7a_100012184626_100000754431 [0,2,0,0,0,0|2,0,0]=4 11179 B13R1.369 C=CCCOc1ccc(nc1Cl)Cl 34a_100000101165_100000754431 [0,2,0,0,0,0|2,0,0]=4 11180 B13R1.369 C=CCCOc1ccc(nc1Cl)Cl 7a_100000101165_100000754431 [0,2,0,0,0,0|2,0,0]=4 11181 B13R1.369 C=CCCOc1ccc(nc1F)Cl 34a_100009880201_100000754431 [0,2,0,0,0,0|2,0,0]=4 11182 B13R1.369 C=CCCOc1ccc(nc1F)Cl 7a_100009880201_100000754431 [0,2,0,0,0,0|2,0,0]=4 11183 B13R1.369 C=CCCOc1ccc(nc1I)Cl 34a_100000696390_100000754431 [0,2,0,0,0,0|2,0,0]=4 11184 B13R1.369 C=CCCOc1ccc(nc1I)Cl 7a_100000696390_100000754431 [0,2,0,0,0,0|2,0,0]=4 11185 B13R1.369 C=CCCOc1ccc(nc1N)Cl 34a_100000717809_100000754431 [0,2,0,0,0,0|2,0,0]=4 11186 B13R1.369 C=CCCOc1ccc(nc1N)Cl 7a_100000717809_100000754431 [0,2,0,0,0,0|2,0,0]=4 11187 B13R1.369 C=CCCOc1cnc(cc1C)Cl 34a_100000692680_100000754431 [0,2,0,0,0,0|2,0,0]=4 11188 B13R1.369 C=CCCOc1cnc(cc1C)Cl 7a_100000692680_100000754431 [0,2,0,0,0,0|2,0,0]=4 11189 B13R1.369 C=CCCOc1cnc(cc1Cl)Cl 34a_100009868576_100000754431 [0,2,0,0,0,0|2,0,0]=4 11190 B13R1.369 C=CCCOc1cnc(cc1Cl)Cl 7a_100009868576_100000754431 [0,2,0,0,0,0|2,0,0]=4 11191 B13R1.369 C=CCCOc1cnc(cc1I)Cl 34a_100000698892_100000754431 [0,2,0,0,0,0|2,0,0]=4 11192 B13R1.369 C=CCCOc1cnc(cc1I)Cl 7a_100000698892_100000754431 [0,2,0,0,0,0|2,0,0]=4 11193 B13R1.369 C=CCCOc1ncc(cc1F)Cl 34a_100011998252_100000754431 [0,2,0,0,0,0|2,0,0]=4 11194 B13R1.369 C=CCCOc1ncc(cc1N)Cl 34a_100011998249_100000754431 [0,2,0,0,0,0|2,0,0]=4 11195 B13R1.369 C=CCCSc1ccc(cc1Br)Cl 62a_100000754431_100011219703 [0,2,0,0,0,0|1,1,0]=4 11196 B13R1.369 C=CCCSc1ccc(cc1Br)Cl 62a_100011219703_100000754431 [0,2,0,0,0,0|1,1,0]=4 11197 B13R1.369 C=CCCSc1ccc(cc1C)Cl 62a_100000754431_100011219607 [0,2,0,0,0,0|1,1,0]=4 11198 B13R1.369 C=CCCSc1ccc(cc1C)Cl 62a_100011219607_100000754431 [0,2,0,0,0,0|1,1,0]=4 11199 B13R1.369 C=CCCSc1ccc(cc1Cl)Cl 62a_100000699841_100000754431 [0,2,0,0,0,0|1,1,0]=4 11200 B13R1.369 C=CCCSc1ccc(cc1Cl)Cl 62a_100000754431_100000699841 [0,2,0,0,0,0|1,1,0]=4 11201 B13R1.369 C=CCCSc1ccc(cc1F)Cl 62a_100000754431_100011216042 [0,2,0,0,0,0|1,1,0]=4 11202 B13R1.369 C=CCCSc1ccc(cc1F)Cl 62a_100011216042_100000754431 [0,2,0,0,0,0|1,1,0]=4 11203 B13R1.369 C=CCCSc1ccc(cc1N)Cl 62a_100000754431_100000761886 [0,2,0,0,0,0|1,1,0]=4 11204 B13R1.369 C=CCCSc1ccc(cc1N)Cl 62a_100000761886_100000754431 [0,2,0,0,0,0|1,1,0]=4 11205 B13R1.369 C=CCCSc1ccc(cc1O)Cl 62a_100000050036_100000754431 [0,2,0,0,0,0|1,1,0]=4 11206 B13R1.369 C=CCCSc1ccc(cc1O)Cl 62a_100000754431_100000050036 [0,2,0,0,0,0|1,1,0]=4 11207 B13R1.369 C=CCOCc1ccc(cc1Br)Cl 34a_100000707881_100015514636 [0,2,0,0,0,0|1,0,1]=4 11208 B13R1.369 C=CCOCc1ccc(cc1Br)Cl 34a_200000210373_100000755608 [0,2,0,0,0,0|1,0,1]=4 11209 B13R1.369 C=CCOCc1ccc(cc1Br)Cl 7a_100000707881_100015514636 [0,2,0,0,0,0|1,0,1]=4 11210 B13R1.369 C=CCOCc1ccc(cc1C)Cl 34a_100000702939_100015514636 [0,2,0,0,0,0|1,0,1]=4 11211 B13R1.369 C=CCOCc1ccc(cc1C)Cl 34a_200000210373_100012361307 [0,2,0,0,0,0|1,0,1]=4 11212 B13R1.369 C=CCOCc1ccc(cc1C)Cl 7a_100000702939_100015514636 [0,2,0,0,0,0|1,0,1]=4 11213 B13R1.369 C=CCOCc1ccc(cc1Cl)Cl 34a_100000215721_100015514636 [0,2,0,0,0,0|1,0,1]=4 11214 B13R1.369 C=CCOCc1ccc(cc1Cl)Cl 34a_200000210373_100000188473 [0,2,0,0,0,0|1,0,1]=4 11215 B13R1.369 C=CCOCc1ccc(cc1Cl)Cl 7a_100000215721_100015514636 [0,2,0,0,0,0|1,0,1]=4 11216 B13R1.369 C=CCOCc1ccc(cc1F)Cl 34a_100011217562_100015514636 [0,2,0,0,0,0|1,0,1]=4 11217 B13R1.369 C=CCOCc1ccc(cc1F)Cl 34a_200000210373_100000709361 [0,2,0,0,0,0|1,0,1]=4 11218 B13R1.369 C=CCOCc1ccc(cc1F)Cl 7a_100011217562_100015514636 [0,2,0,0,0,0|1,0,1]=4 11219 B13R1.369 C=CCOCc1ccc(cc1I)Cl 34a_100000722340_100015514636 [0,2,0,0,0,0|1,0,1]=4 11220 B13R1.369 C=CCOCc1ccc(cc1I)Cl 34a_200000210373_100010254388 [0,2,0,0,0,0|1,0,1]=4 11221 B13R1.369 C=CCOCc1ccc(cc1I)Cl 7a_100000722340_100015514636 [0,2,0,0,0,0|1,0,1]=4 11222 B13R1.369 C=CCOCc1ccc(cc1N)Cl 34a_100000238622_100015514636 [0,2,0,0,0,0|1,0,1]=4 11223 B13R1.369 C=CCOCc1ccc(cc1N)Cl 7a_100000238622_100015514636 [0,2,0,0,0,0|1,0,1]=4 11224 B13R1.369 CC#CCOc1ccc(cc1Br)Cl 34a_100000211998_100000748600 [0,2,0,0,0,0|1,0,1]=4 11225 B13R1.369 CC#CCOc1ccc(cc1Br)Cl 7a_100000211998_100000748600 [0,2,0,0,0,0|1,0,1]=4 11226 B13R1.369 CC#CCOc1ccc(cc1C)Cl 34a_100000211091_100000748600 [0,2,0,0,0,0|1,0,1]=4 11227 B13R1.369 CC#CCOc1ccc(cc1C)Cl 7a_100000211091_100000748600 [0,2,0,0,0,0|1,0,1]=4 11228 B13R1.369 CC#CCOc1ccc(cc1Cl)Cl 34a_100015191787_100000748600 [0,2,0,0,0,0|1,0,1]=4 11229 B13R1.369 CC#CCOc1ccc(cc1Cl)Cl 7a_100015191787_100000748600 [0,2,0,0,0,0|1,0,1]=4 11230 B13R1.369 CC#CCOc1ccc(cc1F)Cl 34a_100000230166_100000748600 [0,2,0,0,0,0|1,0,1]=4 11231 B13R1.369 CC#CCOc1ccc(cc1F)Cl 7a_100000230166_100000748600 [0,2,0,0,0,0|1,0,1]=4 11232 B13R1.369 CC#CCOc1ccc(cc1I)Cl 34a_100011356953_100000748600 [0,2,0,0,0,0|1,0,1]=4 11233 B13R1.369 CC#CCOc1ccc(cc1I)Cl 7a_100011356953_100000748600 [0,2,0,0,0,0|1,0,1]=4 11234 B13R1.369 CC#CCOc1ccc(cc1N)Cl 34a_100000210500_100000748600 [0,2,0,0,0,0|1,0,1]=4 11235 B13R1.369 CC#CCOc1ccc(cc1N)Cl 7a_100000210500_100000748600 [0,2,0,0,0,0|1,0,1]=4 11236 B13R1.369 CC=CCOc1ccc(cc1Br)Cl 34a_100000211998_100000070051 [0,2,0,0,0,0|1,0,1]=4 11237 B13R1.369 CC=CCOc1ccc(cc1Br)Cl 7a_100000211998_100000070051 [0,2,0,0,0,0|1,0,1]=4 11238 B13R1.369 CC=CCOc1ccc(cc1C)Cl 34a_100000211091_100000070051 [0,2,0,0,0,0|1,0,1]=4 11239 B13R1.369 CC=CCOc1ccc(cc1C)Cl 7a_100000211091_100000070051 [0,2,0,0,0,0|1,0,1]=4 11240 B13R1.369 CC=CCOc1ccc(cc1Cl)Cl 34a_100015191787_100000070051 [0,2,0,0,0,0|1,0,1]=4 11241 B13R1.369 CC=CCOc1ccc(cc1Cl)Cl 7a_100015191787_100000070051 [0,2,0,0,0,0|1,0,1]=4 11242 B13R1.369 CC=CCOc1ccc(cc1F)Cl 34a_100000230166_100000070051 [0,2,0,0,0,0|1,0,1]=4 11243 B13R1.369 CC=CCOc1ccc(cc1F)Cl 7a_100000230166_100000070051 [0,2,0,0,0,0|1,0,1]=4 11244 B13R1.369 CC=CCOc1ccc(cc1I)Cl 34a_100011356953_100000070051 [0,2,0,0,0,0|1,0,1]=4 11245 B13R1.369 CC=CCOc1ccc(cc1I)Cl 7a_100011356953_100000070051 [0,2,0,0,0,0|1,0,1]=4 11246 B13R1.369 CC=CCOc1ccc(cc1N)Cl 34a_100000210500_100000070051 [0,2,0,0,0,0|1,0,1]=4 11247 B13R1.369 CC=CCOc1ccc(cc1N)Cl 7a_100000210500_100000070051 [0,2,0,0,0,0|1,0,1]=4 11248 B13R1.369 CCCC=Cc1ccc(cc1Br)Cl 271570a_100016258520_100011219703 [0,2,0,0,0,0|2,0,0]=4 11249 B13R1.369 CCCC=Cc1ccc(cc1C)Cl 271570a_100016258520_100011219607 [0,2,0,0,0,0|2,0,0]=4 11250 B13R1.369 CCCC=Cc1ccc(cc1Cl)Cl 271570a_100016258520_100000699841 [0,2,0,0,0,0|2,0,0]=4 11251 B13R1.369 CCCC=Cc1ccc(cc1F)Cl 271570a_100016258520_100011216042 [0,2,0,0,0,0|2,0,0]=4 11252 B13R1.369 CCCC=Cc1ccc(cc1N)Cl 271570a_100016258520_100000761886 [0,2,0,0,0,0|2,0,0]=4 11253 B13R1.369 CCCC=Cc1ccc(cc1O)Cl 271570a_100016258520_100000050036 [0,2,0,0,0,0|2,0,0]=4 11254 B13R1.369 CCCCNc1ccc(cc1Br)Cl 34a_100000752454_100000210210 [0,2,0,0,0,0|2,0,0]=4 11255 B13R1.369 CCCCNc1ccc(cc1C)Cl 34a_100000210418_100000210210 [0,2,0,0,0,0|2,0,0]=4 11256 B13R1.369 CCCCNc1ccc(cc1C)Cl 7a_100000210418_100000210211 [0,2,0,0,0,0|2,0,0]=4 11257 B13R1.369 CCCCNc1ccc(cc1Cl)Cl 34a_100000185861_100000210210 [0,2,0,0,0,0|2,0,0]=4 11258 B13R1.369 CCCCNc1ccc(cc1F)Cl 34a_100000211020_100000210210 [0,2,0,0,0,0|2,0,0]=4 11259 B13R1.369 CCCCNc1ccc(cc1I)Cl 34a_100000761889_100000210210 [0,2,0,0,0,0|2,0,0]=4 11260 B13R1.369 CCCCNc1ccc(cc1O)Cl 34a_100000185728_100000210210 [0,2,0,0,0,0|2,0,0]=4 11261 B13R1.369 CCCCOc1ccc(cc1Br)Br 34a_100000188717_100000210210 [0,2,0,0,0,0|1,1,0]=4 11262 B13R1.369 CCCCOc1ccc(cc1Br)Br 7a_100000188717_100000210211 [0,2,0,0,0,0|1,1,0]=4 11263 B13R1.369 CCCCOc1ccc(cc1Br)C 34a_100000210800_100000210210 [0,2,0,0,0,0|2,0,0]=4 11264 B13R1.369 CCCCOc1ccc(cc1Br)C 7a_100000210800_100000210211 [0,2,0,0,0,0|2,0,0]=4 11265 B13R1.369 CCCCOc1ccc(cc1Br)Cl 34a_100000211998_100000210210 [0,2,0,0,0,0|1,0,0]=3 11266 B13R1.369 CCCCOc1ccc(cc1Br)Cl 7a_100000211998_100000210211 [0,2,0,0,0,0|1,0,0]=3 11267 B13R1.369 CCCCOc1ccc(cc1Br)F 34a_100000211999_100000210210 [0,2,0,0,0,0|1,1,0]=4 11268 B13R1.369 CCCCOc1ccc(cc1Br)F 7a_100000211999_100000210211 [0,2,0,0,0,0|1,1,0]=4 11269 B13R1.369 CCCCOc1ccc(cc1Br)I 34a_100012361655_100000210210 [0,2,0,0,0,0|1,1,0]=4 11270 B13R1.369 CCCCOc1ccc(cc1Br)I 7a_100012361655_100000210211 [0,2,0,0,0,0|1,1,0]=4 11271 B13R1.369 CCCCOc1ccc(cc1Br)N 34a_100011534360_100000210210 [0,2,0,0,0,0|2,0,0]=4 11272 B13R1.369 CCCCOc1ccc(cc1Br)N 7a_100011534360_100000210211 [0,2,0,0,0,0|2,0,0]=4 11273 B13R1.369 CCCCOc1ccc(cc1C)Br 34a_100000186361_100000210210 [0,2,0,0,0,0|1,1,0]=4 11274 B13R1.369 CCCCOc1ccc(cc1C)Br 7a_100000186361_100000210211 [0,2,0,0,0,0|1,1,0]=4 11275 B13R1.369 CCCCOc1ccc(cc1C)C 34a_100000211776_100000210210 [0,2,0,0,0,0|2,0,0]=4 11276 B13R1.369 CCCCOc1ccc(cc1C)C 7a_100000211776_100000210211 [0,2,0,0,0,0|2,0,0]=4 11277 B13R1.369 CCCCOc1ccc(cc1C)Cl 34a_100000211091_100000210210 [0,2,0,0,0,0|1,0,0]=3 11278 B13R1.369 CCCCOc1ccc(cc1C)Cl 7a_100000211091_100000210211 [0,2,0,0,0,0|1,0,0]=3 11279 B13R1.369 CCCCOc1ccc(cc1C)F 34a_100000764316_100000210210 [0,2,0,0,0,0|1,1,0]=4 11280 B13R1.369 CCCCOc1ccc(cc1C)F 7a_100000764316_100000210211 [0,2,0,0,0,0|1,1,0]=4 11281 B13R1.369 CCCCOc1ccc(cc1C)I 34a_100011218673_100000210210 [0,2,0,0,0,0|1,1,0]=4 11282 B13R1.369 CCCCOc1ccc(cc1C)I 7a_100011218673_100000210211 [0,2,0,0,0,0|1,1,0]=4 11283 B13R1.369 CCCCOc1ccc(cc1C)N 34a_100011218179_100000210210 [0,2,0,0,0,0|2,0,0]=4 11284 B13R1.369 CCCCOc1ccc(cc1C)N 7a_100011218179_100000210211 [0,2,0,0,0,0|2,0,0]=4 11285 B13R1.369 CCCCOc1ccc(cc1Cl)Br 34a_100000186472_100000210210 [0,2,0,0,0,0|1,1,0]=4 11286 B13R1.369 CCCCOc1ccc(cc1Cl)Br 7a_100000186472_100000210211 [0,2,0,0,0,0|1,1,0]=4 11287 B13R1.369 CCCCOc1ccc(cc1Cl)C 34a_100000749699_100000210210 [0,2,0,0,0,0|2,0,0]=4 11288 B13R1.369 CCCCOc1ccc(cc1Cl)C 7a_100000749699_100000210211 [0,2,0,0,0,0|2,0,0]=4 11289 B13R1.369 CCCCOc1ccc(cc1Cl)Cl 34a_100015191787_100000210210 [0,2,0,0,0,0|1,0,0]=3 11290 B13R1.369 CCCCOc1ccc(cc1Cl)Cl 7a_100015191787_100000210211 [0,2,0,0,0,0|1,0,0]=3 11291 B13R1.369 CCCCOc1ccc(cc1Cl)F 34a_100000212004_100000210210 [0,2,0,0,0,0|1,1,0]=4 11292 B13R1.369 CCCCOc1ccc(cc1Cl)F 7a_100000212004_100000210211 [0,2,0,0,0,0|1,1,0]=4 11293 B13R1.369 CCCCOc1ccc(cc1Cl)I 34a_100012360047_100000210210 [0,2,0,0,0,0|1,1,0]=4 11294 B13R1.369 CCCCOc1ccc(cc1Cl)I 7a_100012360047_100000210211 [0,2,0,0,0,0|1,1,0]=4 11295 B13R1.369 CCCCOc1ccc(cc1Cl)N 34a_100000744943_100000210210 [0,2,0,0,0,0|2,0,0]=4 11296 B13R1.369 CCCCOc1ccc(cc1Cl)N 7a_100000744943_100000210211 [0,2,0,0,0,0|2,0,0]=4 11297 B13R1.369 CCCCOc1ccc(cc1F)Br 34a_100000185481_100000210210 [0,2,0,0,0,0|1,1,0]=4 11298 B13R1.369 CCCCOc1ccc(cc1F)Br 7a_100000185481_100000210211 [0,2,0,0,0,0|1,1,0]=4 11299 B13R1.369 CCCCOc1ccc(cc1F)C 34a_100011216688_100000210210 [0,2,0,0,0,0|2,0,0]=4 11300 B13R1.369 CCCCOc1ccc(cc1F)C 7a_100011216688_100000210211 [0,2,0,0,0,0|2,0,0]=4 11301 B13R1.369 CCCCOc1ccc(cc1F)Cl 34a_100000230166_100000210210 [0,2,0,0,0,0|1,0,0]=3 11302 B13R1.369 CCCCOc1ccc(cc1F)Cl 7a_100000230166_100000210211 [0,2,0,0,0,0|1,0,0]=3 11303 B13R1.369 CCCCOc1ccc(cc1F)F 34a_100000230127_100000210210 [0,2,0,0,0,0|1,1,0]=4 11304 B13R1.369 CCCCOc1ccc(cc1F)F 7a_100000230127_100000210211 [0,2,0,0,0,0|1,1,0]=4 11305 B13R1.369 CCCCOc1ccc(cc1F)I 34a_100011356965_100000210210 [0,2,0,0,0,0|1,1,0]=4 11306 B13R1.369 CCCCOc1ccc(cc1F)I 7a_100011356965_100000210211 [0,2,0,0,0,0|1,1,0]=4 11307 B13R1.369 CCCCOc1ccc(cc1F)N 34a_100011220035_100000210210 [0,2,0,0,0,0|2,0,0]=4 11308 B13R1.369 CCCCOc1ccc(cc1F)N 7a_100011220035_100000210211 [0,2,0,0,0,0|2,0,0]=4 11309 B13R1.369 CCCCOc1ccc(cc1I)Br 34a_100012355227_100000210210 [0,2,0,0,0,0|1,1,0]=4 11310 B13R1.369 CCCCOc1ccc(cc1I)Br 7a_100012355227_100000210211 [0,2,0,0,0,0|1,1,0]=4 11311 B13R1.369 CCCCOc1ccc(cc1I)C 34a_100000765521_100000210210 [0,2,0,0,0,0|2,0,0]=4 11312 B13R1.369 CCCCOc1ccc(cc1I)C 7a_100000765521_100000210211 [0,2,0,0,0,0|2,0,0]=4 11313 B13R1.369 CCCCOc1ccc(cc1I)Cl 34a_100011356953_100000210210 [0,2,0,0,0,0|1,0,0]=3 11314 B13R1.369 CCCCOc1ccc(cc1I)Cl 7a_100011356953_100000210211 [0,2,0,0,0,0|1,0,0]=3 11315 B13R1.369 CCCCOc1ccc(cc1I)F 34a_100012355409_100000210210 [0,2,0,0,0,0|1,1,0]=4 11316 B13R1.369 CCCCOc1ccc(cc1I)F 7a_100012355409_100000210211 [0,2,0,0,0,0|1,1,0]=4 11317 B13R1.369 CCCCOc1ccc(cc1I)I 7a_100010001573_100000210211 [0,2,0,0,0,0|1,1,0]=4 11318 B13R1.369 CCCCOc1ccc(cc1N)Br 34a_100000752626_100000210210 [0,2,0,0,0,0|1,1,0]=4 11319 B13R1.369 CCCCOc1ccc(cc1N)Br 7a_100000752626_100000210211 [0,2,0,0,0,0|1,1,0]=4 11320 B13R1.369 CCCCOc1ccc(cc1N)C 34a_100011215204_100000210210 [0,2,0,0,0,0|2,0,0]=4 11321 B13R1.369 CCCCOc1ccc(cc1N)C 7a_100011215204_100000210211 [0,2,0,0,0,0|2,0,0]=4 11322 B13R1.369 CCCCOc1ccc(cc1N)Cl 34a_100000210500_100000210210 [0,2,0,0,0,0|1,0,0]=3 11323 B13R1.369 CCCCOc1ccc(cc1N)Cl 7a_100000210500_100000210211 [0,2,0,0,0,0|1,0,0]=3 11324 B13R1.369 CCCCOc1ccc(cc1N)F 34a_100000759472_100000210210 [0,2,0,0,0,0|1,1,0]=4 11325 B13R1.369 CCCCOc1ccc(cc1N)F 7a_100000759472_100000210211 [0,2,0,0,0,0|1,1,0]=4 11326 B13R1.369 CCCCOc1ccc(cc1N)I 34a_100000753495_100000210210 [0,2,0,0,0,0|1,1,0]=4 11327 B13R1.369 CCCCOc1ccc(cc1N)I 7a_100000753495_100000210211 [0,2,0,0,0,0|1,1,0]=4 11328 B13R1.369 CCCCOc1ccc(cc1N)N 34a_100000725306_100000210210 [0,2,0,0,0,0|2,0,0]=4 11329 B13R1.369 CCCCOc1ccc(cc1O)F 271570a_203496583355_200000205391 [0,2,0,0,0,0|1,1,0]=4 11330 B13R1.369 CCCCOc1ccc(nc1Br)Cl 34a_100010219353_100000210210 [0,2,0,0,0,0|2,0,0]=4 11331 B13R1.369 CCCCOc1ccc(nc1Br)Cl 7a_100010219353_100000210211 [0,2,0,0,0,0|2,0,0]=4 11332 B13R1.369 CCCCOc1ccc(nc1C)Cl 34a_100012184626_100000210210 [0,2,0,0,0,0|2,0,0]=4 11333 B13R1.369 CCCCOc1ccc(nc1C)Cl 7a_100012184626_100000210211 [0,2,0,0,0,0|2,0,0]=4 11334 B13R1.369 CCCCOc1ccc(nc1Cl)Cl 34a_100000101165_100000210210 [0,2,0,0,0,0|2,0,0]=4 11335 B13R1.369 CCCCOc1ccc(nc1Cl)Cl 7a_100000101165_100000210211 [0,2,0,0,0,0|2,0,0]=4 11336 B13R1.369 CCCCOc1ccc(nc1F)Cl 34a_100009880201_100000210210 [0,2,0,0,0,0|2,0,0]=4 11337 B13R1.369 CCCCOc1ccc(nc1F)Cl 7a_100009880201_100000210211 [0,2,0,0,0,0|2,0,0]=4 11338 B13R1.369 CCCCOc1ccc(nc1I)Cl 34a_100000696390_100000210210 [0,2,0,0,0,0|2,0,0]=4 11339 B13R1.369 CCCCOc1ccc(nc1I)Cl 7a_100000696390_100000210211 [0,2,0,0,0,0|2,0,0]=4 11340 B13R1.369 CCCCOc1ccc(nc1N)Cl 34a_100000717809_100000210210 [0,2,0,0,0,0|2,0,0]=4 11341 B13R1.369 CCCCOc1ccc(nc1N)Cl 7a_100000717809_100000210211 [0,2,0,0,0,0|2,0,0]=4 11342 B13R1.369 CCCCOc1cnc(cc1C)Cl 34a_100000692680_100000210210 [0,2,0,0,0,0|2,0,0]=4 11343 B13R1.369 CCCCOc1cnc(cc1C)Cl 7a_100000692680_100000210211 [0,2,0,0,0,0|2,0,0]=4 11344 B13R1.369 CCCCOc1cnc(cc1Cl)Cl 34a_100009868576_100000210210 [0,2,0,0,0,0|2,0,0]=4 11345 B13R1.369 CCCCOc1cnc(cc1Cl)Cl 7a_100009868576_100000210211 [0,2,0,0,0,0|2,0,0]=4 11346 B13R1.369 CCCCOc1cnc(cc1I)Cl 34a_100000698892_100000210210 [0,2,0,0,0,0|2,0,0]=4 11347 B13R1.369 CCCCOc1cnc(cc1I)Cl 7a_100000698892_100000210211 [0,2,0,0,0,0|2,0,0]=4 11348 B13R1.369 CCCCOc1ncc(cc1F)Cl 34a_100011998252_100000210210 [0,2,0,0,0,0|2,0,0]=4 11349 B13R1.369 CCCCOc1ncc(cc1N)Cl 34a_100011998249_100000210210 [0,2,0,0,0,0|2,0,0]=4 11350 B13R1.369 CCCCSc1ccc(cc1Br)Cl 62a_100000210211_100011219703 [0,2,0,0,0,0|1,1,0]=4 11351 B13R1.369 CCCCSc1ccc(cc1Br)Cl 62a_100011219703_100000210210 [0,2,0,0,0,0|1,1,0]=4 11352 B13R1.369 CCCCSc1ccc(cc1C)Cl 62a_100000210211_100011219607 [0,2,0,0,0,0|1,1,0]=4 11353 B13R1.369 CCCCSc1ccc(cc1C)Cl 62a_100011219607_100000210210 [0,2,0,0,0,0|1,1,0]=4 11354 B13R1.369 CCCCSc1ccc(cc1Cl)Cl 62a_100000210211_100000699841 [0,2,0,0,0,0|1,1,0]=4 11355 B13R1.369 CCCCSc1ccc(cc1Cl)Cl 62a_100000699841_100000210210 [0,2,0,0,0,0|1,1,0]=4 11356 B13R1.369 CCCCSc1ccc(cc1F)Cl 62a_100000210211_100011216042 [0,2,0,0,0,0|1,1,0]=4 11357 B13R1.369 CCCCSc1ccc(cc1F)Cl 62a_100011216042_100000210210 [0,2,0,0,0,0|1,1,0]=4 11358 B13R1.369 CCCCSc1ccc(cc1N)Cl 62a_100000210211_100000761886 [0,2,0,0,0,0|1,1,0]=4 11359 B13R1.369 CCCCSc1ccc(cc1N)Cl 62a_100000761886_100000210210 [0,2,0,0,0,0|1,1,0]=4 11360 B13R1.369 CCCCSc1ccc(cc1O)Cl 62a_100000050036_100000210210 [0,2,0,0,0,0|1,1,0]=4 11361 B13R1.369 CCCCSc1ccc(cc1O)Cl 62a_100000210211_100000050036 [0,2,0,0,0,0|1,1,0]=4 11362 B13R1.369 CCCNCc1ccc(cc1Br)Cl 207a_100020643023_100000687667 [0,2,0,0,0,0|2,0,0]=4 11363 B13R1.369 CCCNCc1ccc(cc1Br)Cl 270004a_100020643023_100000687667 [0,2,0,0,0,0|2,0,0]=4 11364 B13R1.369 CCCNCc1ccc(cc1Br)Cl 34a_100102692131_100000210303 [0,2,0,0,0,0|2,0,0]=4 11365 B13R1.369 CCCNCc1ccc(cc1C)Cl 207a_100020643023_100000766358 [0,2,0,0,0,0|2,0,0]=4 11366 B13R1.369 CCCNCc1ccc(cc1C)Cl 270004a_100020643023_100000766358 [0,2,0,0,0,0|2,0,0]=4 11367 B13R1.369 CCCNCc1ccc(cc1C)Cl 34a_103436540063_100000210303 [0,2,0,0,0,0|2,0,0]=4 11368 B13R1.369 CCCNCc1ccc(cc1Cl)Cl 207a_100020643023_100000188887 [0,2,0,0,0,0|2,0,0]=4 11369 B13R1.369 CCCNCc1ccc(cc1Cl)Cl 270004a_100020643023_100000188887 [0,2,0,0,0,0|2,0,0]=4 11370 B13R1.369 CCCNCc1ccc(cc1Cl)Cl 34a_100000174880_100000210303 [0,2,0,0,0,0|2,0,0]=4 11371 B13R1.369 CCCNCc1ccc(cc1F)Cl 207a_100020643023_100000697372 [0,2,0,0,0,0|2,0,0]=4 11372 B13R1.369 CCCNCc1ccc(cc1F)Cl 270004a_100020643023_100000697372 [0,2,0,0,0,0|2,0,0]=4 11373 B13R1.369 CCCNCc1ccc(cc1F)Cl 34a_100000708496_100000210303 [0,2,0,0,0,0|2,0,0]=4 11374 B13R1.369 CCCOCc1ccc(cc1Br)Br 34a_100000210258_200012351560 [0,2,0,0,0,0|1,1,0]=4 11375 B13R1.369 CCCOCc1ccc(cc1Br)Br 34a_100012357508_100000210303 [0,2,0,0,0,0|1,1,0]=4 11376 B13R1.369 CCCOCc1ccc(cc1Br)Br 7a_100012357508_100000210303 [0,2,0,0,0,0|1,1,0]=4 11377 B13R1.369 CCCOCc1ccc(cc1Br)Cl 34a_100000210258_100000755608 [0,2,0,0,0,0|1,0,0]=3 11378 B13R1.369 CCCOCc1ccc(cc1Br)Cl 34a_100000707881_100000210303 [0,2,0,0,0,0|1,0,0]=3 11379 B13R1.369 CCCOCc1ccc(cc1Br)Cl 7a_100000707881_100000210303 [0,2,0,0,0,0|1,0,0]=3 11380 B13R1.369 CCCOCc1ccc(cc1Br)F 34a_100000210258_100000243222 [0,2,0,0,0,0|1,1,0]=4 11381 B13R1.369 CCCOCc1ccc(cc1Br)F 34a_100000744086_100000210303 [0,2,0,0,0,0|1,1,0]=4 11382 B13R1.369 CCCOCc1ccc(cc1Br)F 7a_100000744086_100000210303 [0,2,0,0,0,0|1,1,0]=4 11383 B13R1.369 CCCOCc1ccc(cc1Br)I 34a_100000210258_100010146610 [0,2,0,0,0,0|1,1,0]=4 11384 B13R1.369 CCCOCc1ccc(cc1Br)I 7a_100010240206_100000210303 [0,2,0,0,0,0|1,1,0]=4 11385 B13R1.369 CCCOCc1ccc(cc1C)Br 34a_100000210258_100000708836 [0,2,0,0,0,0|1,1,0]=4 11386 B13R1.369 CCCOCc1ccc(cc1C)Br 34a_100000748258_100000210303 [0,2,0,0,0,0|1,1,0]=4 11387 B13R1.369 CCCOCc1ccc(cc1C)Br 7a_100000748258_100000210303 [0,2,0,0,0,0|1,1,0]=4 11388 B13R1.369 CCCOCc1ccc(cc1C)C 34a_100000210258_100011219618 [0,2,0,0,0,0|2,0,0]=4 11389 B13R1.369 CCCOCc1ccc(cc1C)C 34a_100011215341_100000210303 [0,2,0,0,0,0|2,0,0]=4 11390 B13R1.369 CCCOCc1ccc(cc1C)C 7a_100011215341_100000210303 [0,2,0,0,0,0|2,0,0]=4 11391 B13R1.369 CCCOCc1ccc(cc1C)Cl 34a_100000210258_100012361307 [0,2,0,0,0,0|1,0,0]=3 11392 B13R1.369 CCCOCc1ccc(cc1C)Cl 34a_100000702939_100000210303 [0,2,0,0,0,0|1,0,0]=3 11393 B13R1.369 CCCOCc1ccc(cc1C)Cl 7a_100000702939_100000210303 [0,2,0,0,0,0|1,0,0]=3 11394 B13R1.369 CCCOCc1ccc(cc1C)F 34a_100000210258_100000700533 [0,2,0,0,0,0|1,1,0]=4 11395 B13R1.369 CCCOCc1ccc(cc1C)F 34a_100000700136_100000210303 [0,2,0,0,0,0|1,1,0]=4 11396 B13R1.369 CCCOCc1ccc(cc1C)F 7a_100000700136_100000210303 [0,2,0,0,0,0|1,1,0]=4 11397 B13R1.369 CCCOCc1ccc(cc1C)N 34a_100000102464_100000210303 [0,2,0,0,0,0|2,0,0]=4 11398 B13R1.369 CCCOCc1ccc(cc1C)N 7a_100000102464_100000210303 [0,2,0,0,0,0|2,0,0]=4 11399 B13R1.369 CCCOCc1ccc(cc1Cl)Br 34a_100000210258_100011740631 [0,2,0,0,0,0|1,1,0]=4 11400 B13R1.369 CCCOCc1ccc(cc1Cl)Br 34a_100000756401_100000210303 [0,2,0,0,0,0|1,1,0]=4 11401 B13R1.369 CCCOCc1ccc(cc1Cl)Br 7a_100000756401_100000210303 [0,2,0,0,0,0|1,1,0]=4 11402 B13R1.369 CCCOCc1ccc(cc1Cl)C 34a_100000210258_100012349684 [0,2,0,0,0,0|2,0,0]=4 11403 B13R1.369 CCCOCc1ccc(cc1Cl)C 34a_100000720314_100000210303 [0,2,0,0,0,0|2,0,0]=4 11404 B13R1.369 CCCOCc1ccc(cc1Cl)C 7a_100000720314_100000210303 [0,2,0,0,0,0|2,0,0]=4 11405 B13R1.369 CCCOCc1ccc(cc1Cl)Cl 34a_100000210258_100000188473 [0,2,0,0,0,0|1,0,0]=3 11406 B13R1.369 CCCOCc1ccc(cc1Cl)Cl 34a_100000215721_100000210303 [0,2,0,0,0,0|1,0,0]=3 11407 B13R1.369 CCCOCc1ccc(cc1Cl)Cl 7a_100000215721_100000210303 [0,2,0,0,0,0|1,0,0]=3 11408 B13R1.369 CCCOCc1ccc(cc1Cl)F 34a_100000210258_100011216360 [0,2,0,0,0,0|1,1,0]=4 11409 B13R1.369 CCCOCc1ccc(cc1Cl)F 34a_100011219954_100000210303 [0,2,0,0,0,0|1,1,0]=4 11410 B13R1.369 CCCOCc1ccc(cc1Cl)F 7a_100011219954_100000210303 [0,2,0,0,0,0|1,1,0]=4 11411 B13R1.369 CCCOCc1ccc(cc1Cl)N 34a_100000689119_100000210303 [0,2,0,0,0,0|2,0,0]=4 11412 B13R1.369 CCCOCc1ccc(cc1F)Br 34a_100000210258_100000211606 [0,2,0,0,0,0|1,1,0]=4 11413 B13R1.369 CCCOCc1ccc(cc1F)Br 34a_100011191541_100000210303 [0,2,0,0,0,0|1,1,0]=4 11414 B13R1.369 CCCOCc1ccc(cc1F)Br 7a_100011191541_100000210303 [0,2,0,0,0,0|1,1,0]=4 11415 B13R1.369 CCCOCc1ccc(cc1F)C 34a_100000210258_100012002367 [0,2,0,0,0,0|2,0,0]=4 11416 B13R1.369 CCCOCc1ccc(cc1F)C 34a_100011216587_100000210303 [0,2,0,0,0,0|2,0,0]=4 11417 B13R1.369 CCCOCc1ccc(cc1F)C 7a_100011216587_100000210303 [0,2,0,0,0,0|2,0,0]=4 11418 B13R1.369 CCCOCc1ccc(cc1F)Cl 34a_100000210258_100000709361 [0,2,0,0,0,0|1,0,0]=3 11419 B13R1.369 CCCOCc1ccc(cc1F)Cl 34a_100011217562_100000210303 [0,2,0,0,0,0|1,0,0]=3 11420 B13R1.369 CCCOCc1ccc(cc1F)Cl 7a_100011217562_100000210303 [0,2,0,0,0,0|1,0,0]=3 11421 B13R1.369 CCCOCc1ccc(cc1F)F 34a_100000210258_100000748237 [0,2,0,0,0,0|1,1,0]=4 11422 B13R1.369 CCCOCc1ccc(cc1F)F 34a_100011215441_100000210303 [0,2,0,0,0,0|1,1,0]=4 11423 B13R1.369 CCCOCc1ccc(cc1F)F 7a_100011215441_100000210303 [0,2,0,0,0,0|1,1,0]=4 11424 B13R1.369 CCCOCc1ccc(cc1F)I 34a_100000210258_100010244991 [0,2,0,0,0,0|1,1,0]=4 11425 B13R1.369 CCCOCc1ccc(cc1F)I 34a_200010202041_100000210303 [0,2,0,0,0,0|1,1,0]=4 11426 B13R1.369 CCCOCc1ccc(cc1F)I 7a_200010202041_100000210303 [0,2,0,0,0,0|1,1,0]=4 11427 B13R1.369 CCCOCc1ccc(cc1I)Br 34a_100000210258_100010146615 [0,2,0,0,0,0|1,1,0]=4 11428 B13R1.369 CCCOCc1ccc(cc1I)Br 7a_100010146605_100000210303 [0,2,0,0,0,0|1,1,0]=4 11429 B13R1.369 CCCOCc1ccc(cc1I)Cl 34a_100000210258_100010254388 [0,2,0,0,0,0|1,0,0]=3 11430 B13R1.369 CCCOCc1ccc(cc1I)Cl 34a_100000722340_100000210303 [0,2,0,0,0,0|1,0,0]=3 11431 B13R1.369 CCCOCc1ccc(cc1I)Cl 7a_100000722340_100000210303 [0,2,0,0,0,0|1,0,0]=3 11432 B13R1.369 CCCOCc1ccc(cc1I)F 34a_100000210258_100012354799 [0,2,0,0,0,0|1,1,0]=4 11433 B13R1.369 CCCOCc1ccc(cc1I)F 34a_100011356828_100000210303 [0,2,0,0,0,0|1,1,0]=4 11434 B13R1.369 CCCOCc1ccc(cc1I)F 7a_100011356828_100000210303 [0,2,0,0,0,0|1,1,0]=4 11435 B13R1.369 CCCOCc1ccc(cc1N)Br 34a_100000718831_100000210303 [0,2,0,0,0,0|1,1,0]=4 11436 B13R1.369 CCCOCc1ccc(cc1N)Br 7a_100000718831_100000210303 [0,2,0,0,0,0|1,1,0]=4 11437 B13R1.369 CCCOCc1ccc(cc1N)C 34a_100000087799_100000210303 [0,2,0,0,0,0|2,0,0]=4 11438 B13R1.369 CCCOCc1ccc(cc1N)C 7a_100000087799_100000210303 [0,2,0,0,0,0|2,0,0]=4 11439 B13R1.369 CCCOCc1ccc(cc1N)Cl 34a_100000238622_100000210303 [0,2,0,0,0,0|1,0,0]=3 11440 B13R1.369 CCCOCc1ccc(cc1N)Cl 7a_100000238622_100000210303 [0,2,0,0,0,0|1,0,0]=3 11441 B13R1.369 CCCOCc1ccc(cc1N)F 34a_100011996588_100000210303 [0,2,0,0,0,0|1,1,0]=4 11442 B13R1.369 CCCOCc1ccc(nc1Cl)Cl 34a_100000210258_100000722033 [0,2,0,0,0,0|2,0,0]=4 11443 B13R1.369 CCCOCc1ccc(nc1Cl)Cl 34a_100000720492_100000210303 [0,2,0,0,0,0|2,0,0]=4 11444 B13R1.369 CCCOCc1ccc(nc1Cl)Cl 7a_100000720492_100000210303 [0,2,0,0,0,0|2,0,0]=4 11445 B13R1.369 CCCOCc1ccc(nc1F)Cl 34a_100009870654_100000210303 [0,2,0,0,0,0|2,0,0]=4 11446 B13R1.369 CCCOCc1ccc(nc1F)Cl 7a_100009870654_100000210303 [0,2,0,0,0,0|2,0,0]=4 11447 B13R1.369 CCCOCc1cnc(cc1C)Cl 34a_100010277336_100000210303 [0,2,0,0,0,0|2,0,0]=4 11448 B13R1.369 CCCOCc1cnc(cc1C)Cl 7a_100010277336_100000210303 [0,2,0,0,0,0|2,0,0]=4 11449 B13R1.369 CCCOCc1cnc(cc1Cl)Cl 34a_100000210258_100011997056 [0,2,0,0,0,0|2,0,0]=4 11450 B13R1.369 CCCOCc1cnc(cc1Cl)Cl 34a_100000702863_100000210303 [0,2,0,0,0,0|2,0,0]=4 11451 B13R1.369 CCCOCc1cnc(cc1Cl)Cl 7a_100000702863_100000210303 [0,2,0,0,0,0|2,0,0]=4 11452 B13R1.369 CCCOCc1cnc(cc1N)Cl 34a_100009830438_100000210303 [0,2,0,0,0,0|2,0,0]=4 11453 B13R1.369 CCCOCc1ncc(cc1Br)Cl 34a_100010065237_100000210303 [0,2,0,0,0,0|2,0,0]=4 11454 B13R1.369 CCCOCc1ncc(cc1Br)Cl 7a_100010065237_100000210303 [0,2,0,0,0,0|2,0,0]=4 11455 B13R1.369 CCCOCc1ncc(cc1Cl)Cl 34a_100103146734_100000210303 [0,2,0,0,0,0|2,0,0]=4 11456 B13R1.369 CCCOCc1ncc(cc1Cl)Cl 7a_100103146734_100000210303 [0,2,0,0,0,0|2,0,0]=4 11457 B13R1.369 CCCOCc1ncc(cc1F)Cl 34a_100000210258_200009879301 [0,2,0,0,0,0|2,0,0]=4 11458 B13R1.369 CCCOCc1ncc(cc1F)Cl 34a_100009885607_100000210303 [0,2,0,0,0,0|2,0,0]=4 11459 B13R1.369 CCCOCc1ncc(cc1F)Cl 7a_100009885607_100000210303 [0,2,0,0,0,0|2,0,0]=4 11460 B13R1.369 CCCSCc1ccc(cc1Br)Cl 62a_100000210303_100000755608 [0,2,0,0,0,0|1,1,0]=4 11461 B13R1.369 CCCSCc1ccc(cc1Br)Cl 62a_100000755608_100000210303 [0,2,0,0,0,0|1,1,0]=4 11462 B13R1.369 CCCSCc1ccc(cc1C)Cl 62a_100000210303_100012361307 [0,2,0,0,0,0|1,1,0]=4 11463 B13R1.369 CCCSCc1ccc(cc1C)Cl 62a_100012361307_100000210303 [0,2,0,0,0,0|1,1,0]=4 11464 B13R1.369 CCCSCc1ccc(cc1Cl)Cl 62a_100000188473_100000210303 [0,2,0,0,0,0|1,1,0]=4 11465 B13R1.369 CCCSCc1ccc(cc1Cl)Cl 62a_100000210303_100000188473 [0,2,0,0,0,0|1,1,0]=4 11466 B13R1.369 CCCSCc1ccc(cc1F)Cl 62a_100000210303_100000709361 [0,2,0,0,0,0|1,1,0]=4 11467 B13R1.369 CCCSCc1ccc(cc1F)Cl 62a_100000709361_100000210303 [0,2,0,0,0,0|1,1,0]=4 11468 B13R1.369 CCCSCc1ccc(cc1I)Cl 62a_100000210303_100010254388 [0,2,0,0,0,0|1,1,0]=4 11469 B13R1.369 CCCSCc1ccc(cc1I)Cl 62a_100010254388_100000210303 [0,2,0,0,0,0|1,1,0]=4 11470 B13R1.369 CCNCCc1ccc(cc1Br)Cl 2230a_100015525214_200012945151 [0,2,0,0,0,0|2,0,0]=4 11471 B13R1.369 CCNCCc1ccc(cc1Cl)Cl 2230a_100000210994_100000210202 [0,2,0,0,0,0|2,0,0]=4 11472 B13R1.369 CCNCCc1ccc(cc1Cl)Cl 2230a_100015525214_200012161198 [0,2,0,0,0,0|2,0,0]=4 11473 B13R1.369 CCNCCc1ccc(cc1Cl)Cl 34a_100000210994_100000210202 [0,2,0,0,0,0|2,0,0]=4 11474 B13R1.369 CCNCCc1ccc(cc1F)Cl 2230a_103496529009_100000210202 [0,2,0,0,0,0|2,0,0]=4 11475 B13R1.369 CCNCCc1ccc(cc1F)Cl 34a_103496529009_100000210202 [0,2,0,0,0,0|2,0,0]=4 11476 B13R1.369 CCOCCc1ccc(cc1Br)Cl 34a_100121572206_200012945151 [0,2,0,0,0,0|2,0,0]=4 11477 B13R1.369 CCOCCc1ccc(cc1Cl)Cl 34a_100011215701_100000210202 [0,2,0,0,0,0|2,0,0]=4 11478 B13R1.369 CCOCCc1ccc(cc1Cl)Cl 34a_100121572206_200012161198 [0,2,0,0,0,0|2,0,0]=4 11479 B13R1.369 CCOCCc1ccc(cc1Cl)Cl 7a_100011215701_100000210202 [0,2,0,0,0,0|2,0,0]=4 11480 B13R1.369 CCOCSc1ccc(cc1Br)Cl 62a_100000739092_100011219703 [0,2,0,0,0,0|1,1,0]=4 11481 B13R1.369 CCOCSc1ccc(cc1Br)Cl 62a_100011219703_100000739092 [0,2,0,0,0,0|1,1,0]=4 11482 B13R1.369 CCOCSc1ccc(cc1C)Cl 62a_100000739092_100011219607 [0,2,0,0,0,0|1,1,0]=4 11483 B13R1.369 CCOCSc1ccc(cc1C)Cl 62a_100011219607_100000739092 [0,2,0,0,0,0|1,1,0]=4 11484 B13R1.369 CCOCSc1ccc(cc1Cl)Cl 62a_100000699841_100000739092 [0,2,0,0,0,0|1,1,0]=4 11485 B13R1.369 CCOCSc1ccc(cc1Cl)Cl 62a_100000739092_100000699841 [0,2,0,0,0,0|1,1,0]=4 11486 B13R1.369 CCOCSc1ccc(cc1F)Cl 62a_100000739092_100011216042 [0,2,0,0,0,0|1,1,0]=4 11487 B13R1.369 CCOCSc1ccc(cc1F)Cl 62a_100011216042_100000739092 [0,2,0,0,0,0|1,1,0]=4 11488 B13R1.369 CCOCSc1ccc(cc1N)Cl 62a_100000739092_100000761886 [0,2,0,0,0,0|1,1,0]=4 11489 B13R1.369 CCOCSc1ccc(cc1N)Cl 62a_100000761886_100000739092 [0,2,0,0,0,0|1,1,0]=4 11490 B13R1.369 CCOCSc1ccc(cc1O)Cl 62a_100000050036_100000739092 [0,2,0,0,0,0|1,1,0]=4 11491 B13R1.369 CCOCSc1ccc(cc1O)Cl 62a_100000739092_100000050036 [0,2,0,0,0,0|1,1,0]=4 11492 B13R1.369 CCSCCc1ccc(cc1Br)Cl 62a_100000210202_200012945151 [0,2,0,0,0,0|2,0,0]=4 11493 B13R1.369 CCSCCc1ccc(cc1Br)Cl 62a_200012945151_100000210202 [0,2,0,0,0,0|2,0,0]=4 11494 B13R1.369 CCSCCc1ccc(cc1Cl)Cl 62a_100000210202_200012161198 [0,2,0,0,0,0|2,0,0]=4 11495 B13R1.369 CCSCCc1ccc(cc1Cl)Cl 62a_200012161198_100000210202 [0,2,0,0,0,0|2,0,0]=4 11496 B13R1.369 CNCCCc1ccc(cc1Cl)Cl 270004a_106832991635_100000765304 [0,2,0,0,0,0|2,0,0]=4 11497 B13R1.369 CNCCOc1ccc(cc1Br)C 2230a_100025744979_200000210301 [0,2,0,0,0,0|2,0,0]=4 11498 B13R1.369 CNCCOc1ccc(cc1Br)C 34a_100025744979_200000210301 [0,2,0,0,0,0|2,0,0]=4 11499 B13R1.369 CNCCOc1ccc(cc1Br)Cl 2230a_106832991635_100000199037 [0,2,0,0,0,0|1,0,0]=3 11500 B13R1.369 CNCCOc1ccc(cc1Br)Cl 34a_100102657272_100000199037 [0,2,0,0,0,0|1,0,0]=3 11501 B13R1.369 CNCCOc1ccc(cc1Br)Cl 7a_106832991635_100000199037 [0,2,0,0,0,0|1,0,0]=3 11502 B13R1.369 CNCCOc1ccc(cc1C)C 2230a_106832991635_100011210784 [0,2,0,0,0,0|2,0,0]=4 11503 B13R1.369 CNCCOc1ccc(cc1C)C 34a_100102657272_100011210784 [0,2,0,0,0,0|2,0,0]=4 11504 B13R1.369 CNCCOc1ccc(cc1C)C 7a_106832991635_100011210784 [0,2,0,0,0,0|2,0,0]=4 11505 B13R1.369 CNCCOc1ccc(cc1C)Cl 2230a_100025744827_200000210301 [0,2,0,0,0,0|1,0,0]=3 11506 B13R1.369 CNCCOc1ccc(cc1C)Cl 34a_100025744827_200000210301 [0,2,0,0,0,0|1,0,0]=3 11507 B13R1.369 CNCCOc1ccc(cc1Cl)Cl 2230a_106832991635_100000184432 [0,2,0,0,0,0|1,0,0]=3 11508 B13R1.369 CNCCOc1ccc(cc1Cl)Cl 34a_100102657272_100000184432 [0,2,0,0,0,0|1,0,0]=3 11509 B13R1.369 CNCCOc1ccc(cc1Cl)Cl 7a_106832991635_100000184432 [0,2,0,0,0,0|1,0,0]=3 11510 B13R1.369 CNCCOc1ccc(cc1Cl)F 2230a_100020586385_200000210301 [0,2,0,0,0,0|1,1,0]=4 11511 B13R1.369 CNCCOc1ccc(cc1Cl)F 34a_100020586385_200000210301 [0,2,0,0,0,0|1,1,0]=4 11512 B13R1.369 COCC=Cc1ccc(cc1Br)Cl 271570a_100016286323_100011219703 [0,2,0,0,0,0|1,0,1]=4 11513 B13R1.369 COCC=Cc1ccc(cc1C)Cl 271570a_100016286323_100011219607 [0,2,0,0,0,0|1,0,1]=4 11514 B13R1.369 COCC=Cc1ccc(cc1Cl)Cl 271570a_100016286323_100000699841 [0,2,0,0,0,0|1,0,1]=4 11515 B13R1.369 COCC=Cc1ccc(cc1F)Cl 271570a_100016286323_100011216042 [0,2,0,0,0,0|1,0,1]=4 11516 B13R1.369 COCC=Cc1ccc(cc1N)Cl 271570a_100016286323_100000761886 [0,2,0,0,0,0|1,0,1]=4 11517 B13R1.369 COCC=Cc1ccc(cc1O)Cl 271570a_100016286323_100000050036 [0,2,0,0,0,0|1,0,1]=4 11518 B13R1.369 COCCCc1ccc(cc1Cl)Cl 34a_200011713141_200000210301 [0,2,0,0,0,0|1,0,0]=3 11519 B13R1.369 COCCCc1ccc(cc1Cl)Cl 7a_200011713141_200000210301 [0,2,0,0,0,0|1,0,0]=3 11520 B13R1.369 COCCNc1ccc(cc1Br)Br 34a_100000211012_100011201679 [0,2,0,0,0,0|1,1,0]=4 11521 B13R1.369 COCCNc1ccc(cc1Br)C 34a_100000210942_100011201679 [0,2,0,0,0,0|2,0,0]=4 11522 B13R1.369 COCCNc1ccc(cc1Br)Cl 34a_100000752454_100011201679 [0,2,0,0,0,0|1,0,0]=3 11523 B13R1.369 COCCNc1ccc(cc1Br)F 34a_100000738039_100011201679 [0,2,0,0,0,0|1,1,0]=4 11524 B13R1.369 COCCNc1ccc(cc1Br)O 34a_100012001276_100011201679 [0,2,0,0,0,0|2,0,0]=4 11525 B13R1.369 COCCNc1ccc(cc1C)Br 34a_100000211769_100011201679 [0,2,0,0,0,0|1,1,0]=4 11526 B13R1.369 COCCNc1ccc(cc1C)Br 7a_100000211769_100000233755 [0,2,0,0,0,0|1,1,0]=4 11527 B13R1.369 COCCNc1ccc(cc1C)C 34a_100000736561_100011201679 [0,2,0,0,0,0|2,0,0]=4 11528 B13R1.369 COCCNc1ccc(cc1C)C 7a_100000736561_100000233755 [0,2,0,0,0,0|2,0,0]=4 11529 B13R1.369 COCCNc1ccc(cc1C)Cl 34a_100000210418_100011201679 [0,2,0,0,0,0|1,0,0]=3 11530 B13R1.369 COCCNc1ccc(cc1C)Cl 7a_100000210418_100000233755 [0,2,0,0,0,0|1,0,0]=3 11531 B13R1.369 COCCNc1ccc(cc1C)F 34a_100000211637_100011201679 [0,2,0,0,0,0|1,1,0]=4 11532 B13R1.369 COCCNc1ccc(cc1C)F 7a_100000211637_100000233755 [0,2,0,0,0,0|1,1,0]=4 11533 B13R1.369 COCCNc1ccc(cc1C)I 34a_100000184554_100011201679 [0,2,0,0,0,0|1,1,0]=4 11534 B13R1.369 COCCNc1ccc(cc1C)I 7a_100000184554_100000233755 [0,2,0,0,0,0|1,1,0]=4 11535 B13R1.369 COCCNc1ccc(cc1C)O 34a_100000756630_100011201679 [0,2,0,0,0,0|2,0,0]=4 11536 B13R1.369 COCCNc1ccc(cc1Cl)Br 34a_100000211467_100011201679 [0,2,0,0,0,0|1,1,0]=4 11537 B13R1.369 COCCNc1ccc(cc1Cl)C 34a_100000210522_100011201679 [0,2,0,0,0,0|2,0,0]=4 11538 B13R1.369 COCCNc1ccc(cc1Cl)Cl 34a_100000185861_100011201679 [0,2,0,0,0,0|1,0,0]=3 11539 B13R1.369 COCCNc1ccc(cc1Cl)F 34a_100000212003_100011201679 [0,2,0,0,0,0|1,1,0]=4 11540 B13R1.369 COCCNc1ccc(cc1Cl)I 34a_100011218065_100011201679 [0,2,0,0,0,0|1,1,0]=4 11541 B13R1.369 COCCNc1ccc(cc1Cl)O 34a_100011215599_100011201679 [0,2,0,0,0,0|2,0,0]=4 11542 B13R1.369 COCCNc1ccc(cc1F)Br 34a_100000210722_100011201679 [0,2,0,0,0,0|1,1,0]=4 11543 B13R1.369 COCCNc1ccc(cc1F)C 34a_100000211023_100011201679 [0,2,0,0,0,0|2,0,0]=4 11544 B13R1.369 COCCNc1ccc(cc1F)Cl 34a_100000211020_100011201679 [0,2,0,0,0,0|1,0,0]=3 11545 B13R1.369 COCCNc1ccc(cc1F)F 34a_100000210720_100011201679 [0,2,0,0,0,0|1,1,0]=4 11546 B13R1.369 COCCNc1ccc(cc1F)F 34a_100000692795_200000210301 [0,2,0,0,0,0|1,1,0]=4 11547 B13R1.369 COCCNc1ccc(cc1F)F 7a_100000692795_200000210301 [0,2,0,0,0,0|1,1,0]=4 11548 B13R1.369 COCCNc1ccc(cc1F)I 34a_100011215594_100011201679 [0,2,0,0,0,0|1,1,0]=4 11549 B13R1.369 COCCNc1ccc(cc1F)O 34a_100000759473_100011201679 [0,2,0,0,0,0|2,0,0]=4 11550 B13R1.369 COCCNc1ccc(cc1I)Br 34a_100000187925_100011201679 [0,2,0,0,0,0|1,1,0]=4 11551 B13R1.369 COCCNc1ccc(cc1I)C 34a_100011356834_100011201679 [0,2,0,0,0,0|2,0,0]=4 11552 B13R1.369 COCCNc1ccc(cc1I)Cl 34a_100000761889_100011201679 [0,2,0,0,0,0|1,0,0]=3 11553 B13R1.369 COCCNc1ccc(cc1I)F 34a_100000760547_100011201679 [0,2,0,0,0,0|1,1,0]=4 11554 B13R1.369 COCCNc1ccc(cc1I)O 34a_100010084370_100011201679 [0,2,0,0,0,0|2,0,0]=4 11555 B13R1.369 COCCNc1ccc(cc1O)Br 34a_100000739049_100011201679 [0,2,0,0,0,0|1,1,0]=4 11556 B13R1.369 COCCNc1ccc(cc1O)C 34a_100000211527_100011201679 [0,2,0,0,0,0|2,0,0]=4 11557 B13R1.369 COCCNc1ccc(cc1O)Cl 34a_100000185728_100011201679 [0,2,0,0,0,0|1,0,0]=3 11558 B13R1.369 COCCNc1ccc(cc1O)F 34a_100000753323_100011201679 [0,2,0,0,0,0|1,1,0]=4 11559 B13R1.369 COCCNc1ccc(cc1O)O 34a_100000106777_100011201679 [0,2,0,0,0,0|2,0,0]=4 11560 B13R1.369 COCCNc1ncc(cc1F)Cl 7a_200012004119_200000210301 [0,2,0,0,0,0|2,0,0]=4 11561 B13R1.369 COCCOc1ccc(cc1Br)Br 34a_100000188717_100011201679 [0,2,0,0,0,0|0,1,0]=3 11562 B13R1.369 COCCOc1ccc(cc1Br)Br 7a_100000188717_100000233755 [0,2,0,0,0,0|0,1,0]=3 11563 B13R1.369 COCCOc1ccc(cc1Br)C 34a_100000210800_100011201679 [0,2,0,0,0,0|1,0,0]=3 11564 B13R1.369 COCCOc1ccc(cc1Br)C 7a_100000210800_100000233755 [0,2,0,0,0,0|1,0,0]=3 11565 B13R1.369 COCCOc1ccc(cc1Br)Cl 34a_100000193638_200000210301 [0,2,0,0,0,0|0,0,0]=2 11566 B13R1.369 COCCOc1ccc(cc1Br)Cl 34a_100000211998_100011201679 [0,2,0,0,0,0|0,0,0]=2 11567 B13R1.369 COCCOc1ccc(cc1Br)Cl 34a_100138415774_100000199037 [0,2,0,0,0,0|0,0,0]=2 11568 B13R1.369 COCCOc1ccc(cc1Br)Cl 7a_100000193638_200000210301 [0,2,0,0,0,0|0,0,0]=2 11569 B13R1.369 COCCOc1ccc(cc1Br)Cl 7a_100000211998_100000233755 [0,2,0,0,0,0|0,0,0]=2 11570 B13R1.369 COCCOc1ccc(cc1Br)F 34a_100000211999_100011201679 [0,2,0,0,0,0|0,1,0]=3 11571 B13R1.369 COCCOc1ccc(cc1Br)F 7a_100000211999_100000233755 [0,2,0,0,0,0|0,1,0]=3 11572 B13R1.369 COCCOc1ccc(cc1Br)I 34a_100012361655_100011201679 [0,2,0,0,0,0|0,1,0]=3 11573 B13R1.369 COCCOc1ccc(cc1Br)I 7a_100012361655_100000233755 [0,2,0,0,0,0|0,1,0]=3 11574 B13R1.369 COCCOc1ccc(cc1Br)N 34a_100011534360_100011201679 [0,2,0,0,0,0|1,0,0]=3 11575 B13R1.369 COCCOc1ccc(cc1Br)N 7a_100011534360_100000233755 [0,2,0,0,0,0|1,0,0]=3 11576 B13R1.369 COCCOc1ccc(cc1C)Br 34a_100000186361_100011201679 [0,2,0,0,0,0|0,1,0]=3 11577 B13R1.369 COCCOc1ccc(cc1C)Br 7a_100000186361_100000233755 [0,2,0,0,0,0|0,1,0]=3 11578 B13R1.369 COCCOc1ccc(cc1C)C 34a_100000211776_100011201679 [0,2,0,0,0,0|1,0,0]=3 11579 B13R1.369 COCCOc1ccc(cc1C)C 34a_100138415774_100011210784 [0,2,0,0,0,0|1,0,0]=3 11580 B13R1.369 COCCOc1ccc(cc1C)C 7a_100000211776_100000233755 [0,2,0,0,0,0|1,0,0]=3 11581 B13R1.369 COCCOc1ccc(cc1C)Cl 34a_100000211091_100011201679 [0,2,0,0,0,0|0,0,0]=2 11582 B13R1.369 COCCOc1ccc(cc1C)Cl 7a_100000211091_100000233755 [0,2,0,0,0,0|0,0,0]=2 11583 B13R1.369 COCCOc1ccc(cc1C)F 34a_100000764316_100011201679 [0,2,0,0,0,0|0,1,0]=3 11584 B13R1.369 COCCOc1ccc(cc1C)F 7a_100000764316_100000233755 [0,2,0,0,0,0|0,1,0]=3 11585 B13R1.369 COCCOc1ccc(cc1C)I 34a_100011218673_100011201679 [0,2,0,0,0,0|0,1,0]=3 11586 B13R1.369 COCCOc1ccc(cc1C)I 7a_100011218673_100000233755 [0,2,0,0,0,0|0,1,0]=3 11587 B13R1.369 COCCOc1ccc(cc1C)N 34a_100011218179_100011201679 [0,2,0,0,0,0|1,0,0]=3 11588 B13R1.369 COCCOc1ccc(cc1C)N 7a_100011218179_100000233755 [0,2,0,0,0,0|1,0,0]=3 11589 B13R1.369 COCCOc1ccc(cc1Cl)Br 34a_100000186472_100011201679 [0,2,0,0,0,0|0,1,0]=3 11590 B13R1.369 COCCOc1ccc(cc1Cl)Br 7a_100000186472_100000233755 [0,2,0,0,0,0|0,1,0]=3 11591 B13R1.369 COCCOc1ccc(cc1Cl)C 34a_100000749699_100011201679 [0,2,0,0,0,0|1,0,0]=3 11592 B13R1.369 COCCOc1ccc(cc1Cl)C 7a_100000749699_100000233755 [0,2,0,0,0,0|1,0,0]=3 11593 B13R1.369 COCCOc1ccc(cc1Cl)Cl 34a_100015191787_100011201679 [0,2,0,0,0,0|0,0,0]=2 11594 B13R1.369 COCCOc1ccc(cc1Cl)Cl 34a_100138415774_100000184432 [0,2,0,0,0,0|0,0,0]=2 11595 B13R1.369 COCCOc1ccc(cc1Cl)Cl 34a_200000205304_200000210301 [0,2,0,0,0,0|0,0,0]=2 11596 B13R1.369 COCCOc1ccc(cc1Cl)Cl 7a_100015191787_100000233755 [0,2,0,0,0,0|0,0,0]=2 11597 B13R1.369 COCCOc1ccc(cc1Cl)Cl 7a_200000205304_200000210301 [0,2,0,0,0,0|0,0,0]=2 11598 B13R1.369 COCCOc1ccc(cc1Cl)F 34a_100000212004_100011201679 [0,2,0,0,0,0|0,1,0]=3 11599 B13R1.369 COCCOc1ccc(cc1Cl)F 7a_100000212004_100000233755 [0,2,0,0,0,0|0,1,0]=3 11600 B13R1.369 COCCOc1ccc(cc1Cl)I 34a_100012360047_100011201679 [0,2,0,0,0,0|0,1,0]=3 11601 B13R1.369 COCCOc1ccc(cc1Cl)I 7a_100012360047_100000233755 [0,2,0,0,0,0|0,1,0]=3 11602 B13R1.369 COCCOc1ccc(cc1Cl)N 34a_100000744943_100011201679 [0,2,0,0,0,0|1,0,0]=3 11603 B13R1.369 COCCOc1ccc(cc1Cl)N 7a_100000744943_100000233755 [0,2,0,0,0,0|1,0,0]=3 11604 B13R1.369 COCCOc1ccc(cc1F)Br 34a_100000185481_100011201679 [0,2,0,0,0,0|0,1,0]=3 11605 B13R1.369 COCCOc1ccc(cc1F)Br 7a_100000185481_100000233755 [0,2,0,0,0,0|0,1,0]=3 11606 B13R1.369 COCCOc1ccc(cc1F)C 34a_100011216688_100011201679 [0,2,0,0,0,0|1,0,0]=3 11607 B13R1.369 COCCOc1ccc(cc1F)C 7a_100011216688_100000233755 [0,2,0,0,0,0|1,0,0]=3 11608 B13R1.369 COCCOc1ccc(cc1F)Cl 34a_100000230166_100011201679 [0,2,0,0,0,0|0,0,0]=2 11609 B13R1.369 COCCOc1ccc(cc1F)Cl 7a_100000230166_100000233755 [0,2,0,0,0,0|0,0,0]=2 11610 B13R1.369 COCCOc1ccc(cc1F)F 34a_100000230127_100011201679 [0,2,0,0,0,0|0,1,0]=3 11611 B13R1.369 COCCOc1ccc(cc1F)F 7a_100000230127_100000233755 [0,2,0,0,0,0|0,1,0]=3 11612 B13R1.369 COCCOc1ccc(cc1F)I 34a_100011356965_100011201679 [0,2,0,0,0,0|0,1,0]=3 11613 B13R1.369 COCCOc1ccc(cc1F)I 7a_100011356965_100000233755 [0,2,0,0,0,0|0,1,0]=3 11614 B13R1.369 COCCOc1ccc(cc1F)N 34a_100011220035_100011201679 [0,2,0,0,0,0|1,0,0]=3 11615 B13R1.369 COCCOc1ccc(cc1F)N 7a_100011220035_100000233755 [0,2,0,0,0,0|1,0,0]=3 11616 B13R1.369 COCCOc1ccc(cc1I)Br 34a_100012355227_100011201679 [0,2,0,0,0,0|0,1,0]=3 11617 B13R1.369 COCCOc1ccc(cc1I)Br 7a_100012355227_100000233755 [0,2,0,0,0,0|0,1,0]=3 11618 B13R1.369 COCCOc1ccc(cc1I)C 34a_100000765521_100011201679 [0,2,0,0,0,0|1,0,0]=3 11619 B13R1.369 COCCOc1ccc(cc1I)C 7a_100000765521_100000233755 [0,2,0,0,0,0|1,0,0]=3 11620 B13R1.369 COCCOc1ccc(cc1I)Cl 34a_100011356953_100011201679 [0,2,0,0,0,0|0,0,0]=2 11621 B13R1.369 COCCOc1ccc(cc1I)Cl 7a_100011356953_100000233755 [0,2,0,0,0,0|0,0,0]=2 11622 B13R1.369 COCCOc1ccc(cc1I)F 34a_100012355409_100011201679 [0,2,0,0,0,0|0,1,0]=3 11623 B13R1.369 COCCOc1ccc(cc1I)F 7a_100012355409_100000233755 [0,2,0,0,0,0|0,1,0]=3 11624 B13R1.369 COCCOc1ccc(cc1I)I 7a_100010001573_100000233755 [0,2,0,0,0,0|0,1,0]=3 11625 B13R1.369 COCCOc1ccc(cc1N)Br 34a_100000752626_100011201679 [0,2,0,0,0,0|0,1,0]=3 11626 B13R1.369 COCCOc1ccc(cc1N)Br 7a_100000752626_100000233755 [0,2,0,0,0,0|0,1,0]=3 11627 B13R1.369 COCCOc1ccc(cc1N)C 34a_100011215204_100011201679 [0,2,0,0,0,0|1,0,0]=3 11628 B13R1.369 COCCOc1ccc(cc1N)C 7a_100011215204_100000233755 [0,2,0,0,0,0|1,0,0]=3 11629 B13R1.369 COCCOc1ccc(cc1N)Cl 34a_100000210500_100011201679 [0,2,0,0,0,0|0,0,0]=2 11630 B13R1.369 COCCOc1ccc(cc1N)Cl 7a_100000210500_100000233755 [0,2,0,0,0,0|0,0,0]=2 11631 B13R1.369 COCCOc1ccc(cc1N)F 34a_100000759472_100011201679 [0,2,0,0,0,0|0,1,0]=3 11632 B13R1.369 COCCOc1ccc(cc1N)F 7a_100000759472_100000233755 [0,2,0,0,0,0|0,1,0]=3 11633 B13R1.369 COCCOc1ccc(cc1N)I 34a_100000753495_100011201679 [0,2,0,0,0,0|0,1,0]=3 11634 B13R1.369 COCCOc1ccc(cc1N)I 7a_100000753495_100000233755 [0,2,0,0,0,0|0,1,0]=3 11635 B13R1.369 COCCOc1ccc(cc1N)N 34a_100000725306_100011201679 [0,2,0,0,0,0|1,0,0]=3 11636 B13R1.369 COCCOc1ccc(cc1N)N 34a_100016991323_200000210301 [0,2,0,0,0,0|1,0,0]=3 11637 B13R1.369 COCCOc1ccc(nc1Br)Br 34a_100009999766_100011201679 [0,2,0,0,0,0|1,1,0]=4 11638 B13R1.369 COCCOc1ccc(nc1Br)Br 7a_100009999766_100000233755 [0,2,0,0,0,0|1,1,0]=4 11639 B13R1.369 COCCOc1ccc(nc1Br)C 34a_100000702858_100011201679 [0,2,0,0,0,0|2,0,0]=4 11640 B13R1.369 COCCOc1ccc(nc1Br)C 7a_100000702858_100000233755 [0,2,0,0,0,0|2,0,0]=4 11641 B13R1.369 COCCOc1ccc(nc1Br)Cl 34a_100010219353_100011201679 [0,2,0,0,0,0|1,0,0]=3 11642 B13R1.369 COCCOc1ccc(nc1Br)Cl 7a_100010219353_100000233755 [0,2,0,0,0,0|1,0,0]=3 11643 B13R1.369 COCCOc1ccc(nc1Br)F 34a_100009887730_100011201679 [0,2,0,0,0,0|1,1,0]=4 11644 B13R1.369 COCCOc1ccc(nc1Br)F 7a_100009887730_100000233755 [0,2,0,0,0,0|1,1,0]=4 11645 B13R1.369 COCCOc1ccc(nc1Br)I 34a_100000725334_100011201679 [0,2,0,0,0,0|1,1,0]=4 11646 B13R1.369 COCCOc1ccc(nc1Br)I 7a_100000725334_100000233755 [0,2,0,0,0,0|1,1,0]=4 11647 B13R1.369 COCCOc1ccc(nc1C)Br 34a_100012002022_100011201679 [0,2,0,0,0,0|1,1,0]=4 11648 B13R1.369 COCCOc1ccc(nc1C)Br 7a_100012002022_100000233755 [0,2,0,0,0,0|1,1,0]=4 11649 B13R1.369 COCCOc1ccc(nc1C)C 34a_100011218912_100011201679 [0,2,0,0,0,0|2,0,0]=4 11650 B13R1.369 COCCOc1ccc(nc1C)C 7a_100011218912_100000233755 [0,2,0,0,0,0|2,0,0]=4 11651 B13R1.369 COCCOc1ccc(nc1C)Cl 34a_100012184626_100011201679 [0,2,0,0,0,0|1,0,0]=3 11652 B13R1.369 COCCOc1ccc(nc1C)Cl 7a_100012184626_100000233755 [0,2,0,0,0,0|1,0,0]=3 11653 B13R1.369 COCCOc1ccc(nc1C)F 34a_100009881036_100011201679 [0,2,0,0,0,0|1,1,0]=4 11654 B13R1.369 COCCOc1ccc(nc1C)F 7a_100009881036_100000233755 [0,2,0,0,0,0|1,1,0]=4 11655 B13R1.369 COCCOc1ccc(nc1C)I 34a_100010233687_100011201679 [0,2,0,0,0,0|1,1,0]=4 11656 B13R1.369 COCCOc1ccc(nc1C)I 7a_100010233687_100000233755 [0,2,0,0,0,0|1,1,0]=4 11657 B13R1.369 COCCOc1ccc(nc1Cl)Br 34a_100010246206_100011201679 [0,2,0,0,0,0|1,1,0]=4 11658 B13R1.369 COCCOc1ccc(nc1Cl)Br 7a_100010246206_100000233755 [0,2,0,0,0,0|1,1,0]=4 11659 B13R1.369 COCCOc1ccc(nc1Cl)C 34a_100000086286_100011201679 [0,2,0,0,0,0|2,0,0]=4 11660 B13R1.369 COCCOc1ccc(nc1Cl)C 7a_100000086286_100000233755 [0,2,0,0,0,0|2,0,0]=4 11661 B13R1.369 COCCOc1ccc(nc1Cl)Cl 34a_100000101165_100011201679 [0,2,0,0,0,0|1,0,0]=3 11662 B13R1.369 COCCOc1ccc(nc1Cl)Cl 7a_100000101165_100000233755 [0,2,0,0,0,0|1,0,0]=3 11663 B13R1.369 COCCOc1ccc(nc1Cl)I 34a_100000721234_100011201679 [0,2,0,0,0,0|1,1,0]=4 11664 B13R1.369 COCCOc1ccc(nc1Cl)I 7a_100000721234_100000233755 [0,2,0,0,0,0|1,1,0]=4 11665 B13R1.369 COCCOc1ccc(nc1F)Br 34a_100009819667_100011201679 [0,2,0,0,0,0|1,1,0]=4 11666 B13R1.369 COCCOc1ccc(nc1F)Br 7a_100009819667_100000233755 [0,2,0,0,0,0|1,1,0]=4 11667 B13R1.369 COCCOc1ccc(nc1F)C 34a_100000079963_100011201679 [0,2,0,0,0,0|2,0,0]=4 11668 B13R1.369 COCCOc1ccc(nc1F)C 7a_100000079963_100000233755 [0,2,0,0,0,0|2,0,0]=4 11669 B13R1.369 COCCOc1ccc(nc1F)Cl 34a_100009880201_100011201679 [0,2,0,0,0,0|1,0,0]=3 11670 B13R1.369 COCCOc1ccc(nc1F)Cl 7a_100009880201_100000233755 [0,2,0,0,0,0|1,0,0]=3 11671 B13R1.369 COCCOc1ccc(nc1F)F 34a_100000101184_100011201679 [0,2,0,0,0,0|1,1,0]=4 11672 B13R1.369 COCCOc1ccc(nc1F)F 7a_100000101184_100000233755 [0,2,0,0,0,0|1,1,0]=4 11673 B13R1.369 COCCOc1ccc(nc1I)Br 34a_100010253912_100011201679 [0,2,0,0,0,0|1,1,0]=4 11674 B13R1.369 COCCOc1ccc(nc1I)Br 7a_100010253912_100000233755 [0,2,0,0,0,0|1,1,0]=4 11675 B13R1.369 COCCOc1ccc(nc1I)C 34a_100000023897_100011201679 [0,2,0,0,0,0|2,0,0]=4 11676 B13R1.369 COCCOc1ccc(nc1I)C 7a_100000023897_100000233755 [0,2,0,0,0,0|2,0,0]=4 11677 B13R1.369 COCCOc1ccc(nc1I)Cl 34a_100000696390_100011201679 [0,2,0,0,0,0|1,0,0]=3 11678 B13R1.369 COCCOc1ccc(nc1I)Cl 7a_100000696390_100000233755 [0,2,0,0,0,0|1,0,0]=3 11679 B13R1.369 COCCOc1ccc(nc1I)F 34a_100010382442_100011201679 [0,2,0,0,0,0|1,1,0]=4 11680 B13R1.369 COCCOc1ccc(nc1I)F 7a_100010382442_100000233755 [0,2,0,0,0,0|1,1,0]=4 11681 B13R1.369 COCCOc1ccc(nc1N)Br 34a_100000685527_100011201679 [0,2,0,0,0,0|1,1,0]=4 11682 B13R1.369 COCCOc1ccc(nc1N)Br 7a_100000685527_100000233755 [0,2,0,0,0,0|1,1,0]=4 11683 B13R1.369 COCCOc1ccc(nc1N)C 34a_100000694039_100011201679 [0,2,0,0,0,0|2,0,0]=4 11684 B13R1.369 COCCOc1ccc(nc1N)C 7a_100000694039_100000233755 [0,2,0,0,0,0|2,0,0]=4 11685 B13R1.369 COCCOc1ccc(nc1N)Cl 34a_100000717809_100011201679 [0,2,0,0,0,0|1,0,0]=3 11686 B13R1.369 COCCOc1ccc(nc1N)Cl 7a_100000717809_100000233755 [0,2,0,0,0,0|1,0,0]=3 11687 B13R1.369 COCCOc1cnc(cc1Br)C 34a_100009843476_100011201679 [0,2,0,0,0,0|2,0,0]=4 11688 B13R1.369 COCCOc1cnc(cc1Br)C 7a_100009843476_100000233755 [0,2,0,0,0,0|2,0,0]=4 11689 B13R1.369 COCCOc1cnc(cc1C)C 34a_200000068632_100011201679 [0,2,0,0,0,0|2,0,0]=4 11690 B13R1.369 COCCOc1cnc(cc1C)C 7a_200000068632_100000233755 [0,2,0,0,0,0|2,0,0]=4 11691 B13R1.369 COCCOc1cnc(cc1C)Cl 34a_100000692680_100011201679 [0,2,0,0,0,0|1,0,0]=3 11692 B13R1.369 COCCOc1cnc(cc1C)Cl 7a_100000692680_100000233755 [0,2,0,0,0,0|1,0,0]=3 11693 B13R1.369 COCCOc1cnc(cc1C)F 34a_100009856773_100011201679 [0,2,0,0,0,0|1,1,0]=4 11694 B13R1.369 COCCOc1cnc(cc1C)F 7a_100009856773_100000233755 [0,2,0,0,0,0|1,1,0]=4 11695 B13R1.369 COCCOc1cnc(cc1Cl)Cl 34a_100009868576_100011201679 [0,2,0,0,0,0|1,0,0]=3 11696 B13R1.369 COCCOc1cnc(cc1Cl)Cl 7a_100009868576_100000233755 [0,2,0,0,0,0|1,0,0]=3 11697 B13R1.369 COCCOc1cnc(cc1F)F 34a_100009885687_100011201679 [0,2,0,0,0,0|1,1,0]=4 11698 B13R1.369 COCCOc1cnc(cc1F)F 7a_100009885687_100000233755 [0,2,0,0,0,0|1,1,0]=4 11699 B13R1.369 COCCOc1cnc(cc1I)Cl 34a_100000698892_100011201679 [0,2,0,0,0,0|1,0,0]=3 11700 B13R1.369 COCCOc1cnc(cc1I)Cl 7a_100000698892_100000233755 [0,2,0,0,0,0|1,0,0]=3 11701 B13R1.369 COCCOc1cnc(cc1N)Br 34a_100009819941_100011201679 [0,2,0,0,0,0|1,1,0]=4 11702 B13R1.369 COCCOc1cnc(cc1N)Br 7a_100009819941_100000233755 [0,2,0,0,0,0|1,1,0]=4 11703 B13R1.369 COCCOc1cnc(nc1Cl)Cl 34a_100010725077_100011201679 [0,2,0,0,0,0|2,0,0]=4 11704 B13R1.369 COCCOc1cnc(nc1Cl)Cl 7a_100010725077_100000233755 [0,2,0,0,0,0|2,0,0]=4 11705 B13R1.369 COCCOc1coc(cc1=O)C 34a_100000081520_100011201679 [0,2,0,0,0,0|2,0,0]=4 11706 B13R1.369 COCCOc1ncc(cc1Br)Br 34a_100000701035_100011201679 [0,2,0,0,0,0|1,1,0]=4 11707 B13R1.369 COCCOc1ncc(cc1Br)C 34a_100000719714_100011201679 [0,2,0,0,0,0|2,0,0]=4 11708 B13R1.369 COCCOc1ncc(cc1C)Br 34a_100000685391_100011201679 [0,2,0,0,0,0|1,1,0]=4 11709 B13R1.369 COCCOc1ncc(cc1Cl)Br 34a_100012339560_100011201679 [0,2,0,0,0,0|1,1,0]=4 11710 B13R1.369 COCCOc1ncc(cc1Cl)F 34a_100009847679_100011201679 [0,2,0,0,0,0|1,1,0]=4 11711 B13R1.369 COCCOc1ncc(cc1F)Cl 34a_100011998252_100011201679 [0,2,0,0,0,0|1,0,0]=3 11712 B13R1.369 COCCOc1ncc(cc1F)F 34a_100012025737_100011201679 [0,2,0,0,0,0|1,1,0]=4 11713 B13R1.369 COCCOc1ncc(cc1N)Br 34a_100000743729_100011201679 [0,2,0,0,0,0|1,1,0]=4 11714 B13R1.369 COCCOc1ncc(cc1N)C 34a_100012000488_100011201679 [0,2,0,0,0,0|2,0,0]=4 11715 B13R1.369 COCCOc1ncc(cc1N)Cl 34a_100011998249_100011201679 [0,2,0,0,0,0|1,0,0]=3 11716 B13R1.369 COCCSc1ccc(cc1Br)Br 62a_100000233755_100011484698 [0,2,0,0,0,0|0,2,0]=4 11717 B13R1.369 COCCSc1ccc(cc1Br)Br 62a_100011484698_100000233755 [0,2,0,0,0,0|0,2,0]=4 11718 B13R1.369 COCCSc1ccc(cc1Br)C 62a_100000233755_100009813563 [0,2,0,0,0,0|1,1,0]=4 11719 B13R1.369 COCCSc1ccc(cc1Br)C 62a_100009813563_100000233755 [0,2,0,0,0,0|1,1,0]=4 11720 B13R1.369 COCCSc1ccc(cc1Br)Cl 62a_100000233755_100011219703 [0,2,0,0,0,0|0,1,0]=3 11721 B13R1.369 COCCSc1ccc(cc1Br)Cl 62a_100011219703_100000233755 [0,2,0,0,0,0|0,1,0]=3 11722 B13R1.369 COCCSc1ccc(cc1Br)F 62a_100000233755_100011217111 [0,2,0,0,0,0|0,2,0]=4 11723 B13R1.369 COCCSc1ccc(cc1Br)F 62a_100011217111_100000233755 [0,2,0,0,0,0|0,2,0]=4 11724 B13R1.369 COCCSc1ccc(cc1Br)N 62a_100000233755_100000750458 [0,2,0,0,0,0|1,1,0]=4 11725 B13R1.369 COCCSc1ccc(cc1Br)N 62a_100000750458_100000233755 [0,2,0,0,0,0|1,1,0]=4 11726 B13R1.369 COCCSc1ccc(cc1Br)O 62a_100000233755_100000701344 [0,2,0,0,0,0|1,1,0]=4 11727 B13R1.369 COCCSc1ccc(cc1Br)O 62a_100000701344_100000233755 [0,2,0,0,0,0|1,1,0]=4 11728 B13R1.369 COCCSc1ccc(cc1C)Br 62a_100000233755_100000701812 [0,2,0,0,0,0|0,2,0]=4 11729 B13R1.369 COCCSc1ccc(cc1C)Br 62a_100000701812_100000233755 [0,2,0,0,0,0|0,2,0]=4 11730 B13R1.369 COCCSc1ccc(cc1C)C 62a_100000233755_100011217332 [0,2,0,0,0,0|1,1,0]=4 11731 B13R1.369 COCCSc1ccc(cc1C)C 62a_100011217332_100000233755 [0,2,0,0,0,0|1,1,0]=4 11732 B13R1.369 COCCSc1ccc(cc1C)Cl 62a_100000233755_100011219607 [0,2,0,0,0,0|0,1,0]=3 11733 B13R1.369 COCCSc1ccc(cc1C)Cl 62a_100011219607_100000233755 [0,2,0,0,0,0|0,1,0]=3 11734 B13R1.369 COCCSc1ccc(cc1C)F 62a_100000233755_100011205405 [0,2,0,0,0,0|0,2,0]=4 11735 B13R1.369 COCCSc1ccc(cc1C)F 62a_100011205405_100000233755 [0,2,0,0,0,0|0,2,0]=4 11736 B13R1.369 COCCSc1ccc(cc1C)N 62a_100000210723_100000233755 [0,2,0,0,0,0|1,1,0]=4 11737 B13R1.369 COCCSc1ccc(cc1C)N 62a_100000233755_100000210723 [0,2,0,0,0,0|1,1,0]=4 11738 B13R1.369 COCCSc1ccc(cc1C)O 62a_100000233755_100000690111 [0,2,0,0,0,0|1,1,0]=4 11739 B13R1.369 COCCSc1ccc(cc1Cl)Br 62a_100000233755_100011216062 [0,2,0,0,0,0|0,2,0]=4 11740 B13R1.369 COCCSc1ccc(cc1Cl)Br 62a_100011216062_100000233755 [0,2,0,0,0,0|0,2,0]=4 11741 B13R1.369 COCCSc1ccc(cc1Cl)C 62a_100000233755_100011263221 [0,2,0,0,0,0|1,1,0]=4 11742 B13R1.369 COCCSc1ccc(cc1Cl)C 62a_100011263221_100000233755 [0,2,0,0,0,0|1,1,0]=4 11743 B13R1.369 COCCSc1ccc(cc1Cl)Cl 34a_200010001942_200000210301 [0,2,0,0,0,0|0,1,0]=3 11744 B13R1.369 COCCSc1ccc(cc1Cl)Cl 62a_100000233755_100000699841 [0,2,0,0,0,0|0,1,0]=3 11745 B13R1.369 COCCSc1ccc(cc1Cl)Cl 62a_100000699841_100000233755 [0,2,0,0,0,0|0,1,0]=3 11746 B13R1.369 COCCSc1ccc(cc1Cl)Cl 7a_200010001942_200000210301 [0,2,0,0,0,0|0,1,0]=3 11747 B13R1.369 COCCSc1ccc(cc1Cl)F 62a_100000233755_100000733362 [0,2,0,0,0,0|0,2,0]=4 11748 B13R1.369 COCCSc1ccc(cc1Cl)F 62a_100000733362_100000233755 [0,2,0,0,0,0|0,2,0]=4 11749 B13R1.369 COCCSc1ccc(cc1Cl)N 62a_100000233755_100000761885 [0,2,0,0,0,0|1,1,0]=4 11750 B13R1.369 COCCSc1ccc(cc1Cl)N 62a_100000761885_100000233755 [0,2,0,0,0,0|1,1,0]=4 11751 B13R1.369 COCCSc1ccc(cc1Cl)O 62a_100000047559_100000233755 [0,2,0,0,0,0|1,1,0]=4 11752 B13R1.369 COCCSc1ccc(cc1Cl)O 62a_100000233755_100000047559 [0,2,0,0,0,0|1,1,0]=4 11753 B13R1.369 COCCSc1ccc(cc1F)Br 62a_100000233755_100009814013 [0,2,0,0,0,0|0,2,0]=4 11754 B13R1.369 COCCSc1ccc(cc1F)Br 62a_100009814013_100000233755 [0,2,0,0,0,0|0,2,0]=4 11755 B13R1.369 COCCSc1ccc(cc1F)C 62a_100000233755_100011216119 [0,2,0,0,0,0|1,1,0]=4 11756 B13R1.369 COCCSc1ccc(cc1F)C 62a_100011216119_100000233755 [0,2,0,0,0,0|1,1,0]=4 11757 B13R1.369 COCCSc1ccc(cc1F)Cl 62a_100000233755_100011216042 [0,2,0,0,0,0|0,1,0]=3 11758 B13R1.369 COCCSc1ccc(cc1F)Cl 62a_100011216042_100000233755 [0,2,0,0,0,0|0,1,0]=3 11759 B13R1.369 COCCSc1ccc(cc1F)F 34a_200000204339_200000210301 [0,2,0,0,0,0|0,2,0]=4 11760 B13R1.369 COCCSc1ccc(cc1F)F 62a_100000233755_100000750030 [0,2,0,0,0,0|0,2,0]=4 11761 B13R1.369 COCCSc1ccc(cc1F)F 62a_100000750030_100000233755 [0,2,0,0,0,0|0,2,0]=4 11762 B13R1.369 COCCSc1ccc(cc1F)F 7a_200000204339_200000210301 [0,2,0,0,0,0|0,2,0]=4 11763 B13R1.369 COCCSc1ccc(cc1F)N 62a_100000233755_100011356925 [0,2,0,0,0,0|1,1,0]=4 11764 B13R1.369 COCCSc1ccc(cc1F)N 62a_100011356925_100000233755 [0,2,0,0,0,0|1,1,0]=4 11765 B13R1.369 COCCSc1ccc(cc1F)O 62a_100000233755_100000755031 [0,2,0,0,0,0|1,1,0]=4 11766 B13R1.369 COCCSc1ccc(cc1F)O 62a_100000755031_100000233755 [0,2,0,0,0,0|1,1,0]=4 11767 B13R1.369 COCCSc1ccc(cc1N)Br 62a_100000233755_100000743836 [0,2,0,0,0,0|0,2,0]=4 11768 B13R1.369 COCCSc1ccc(cc1N)Br 62a_100000743836_100000233755 [0,2,0,0,0,0|0,2,0]=4 11769 B13R1.369 COCCSc1ccc(cc1N)C 62a_100000233755_100011216686 [0,2,0,0,0,0|1,1,0]=4 11770 B13R1.369 COCCSc1ccc(cc1N)C 62a_100011216686_100000233755 [0,2,0,0,0,0|1,1,0]=4 11771 B13R1.369 COCCSc1ccc(cc1N)Cl 62a_100000233755_100000761886 [0,2,0,0,0,0|0,1,0]=3 11772 B13R1.369 COCCSc1ccc(cc1N)Cl 62a_100000761886_100000233755 [0,2,0,0,0,0|0,1,0]=3 11773 B13R1.369 COCCSc1ccc(cc1N)F 62a_100000233755_100000687223 [0,2,0,0,0,0|0,2,0]=4 11774 B13R1.369 COCCSc1ccc(cc1N)F 62a_100000687223_100000233755 [0,2,0,0,0,0|0,2,0]=4 11775 B13R1.369 COCCSc1ccc(cc1N)N 62a_100000233755_200012175722 [0,2,0,0,0,0|1,1,0]=4 11776 B13R1.369 COCCSc1ccc(cc1N)N 62a_200012175722_100000233755 [0,2,0,0,0,0|1,1,0]=4 11777 B13R1.369 COCCSc1ccc(cc1N)O 62a_100000233755_100011999798 [0,2,0,0,0,0|1,1,0]=4 11778 B13R1.369 COCCSc1ccc(cc1N)O 62a_100011999798_100000233755 [0,2,0,0,0,0|1,1,0]=4 11779 B13R1.369 COCCSc1ccc(cc1O)Br 62a_100000233755_100012344904 [0,2,0,0,0,0|0,2,0]=4 11780 B13R1.369 COCCSc1ccc(cc1O)Br 62a_100012344904_100000233755 [0,2,0,0,0,0|0,2,0]=4 11781 B13R1.369 COCCSc1ccc(cc1O)C 62a_100000233755_100012002257 [0,2,0,0,0,0|1,1,0]=4 11782 B13R1.369 COCCSc1ccc(cc1O)C 62a_100012002257_100000233755 [0,2,0,0,0,0|1,1,0]=4 11783 B13R1.369 COCCSc1ccc(cc1O)Cl 62a_100000050036_100000233755 [0,2,0,0,0,0|0,1,0]=3 11784 B13R1.369 COCCSc1ccc(cc1O)Cl 62a_100000233755_100000050036 [0,2,0,0,0,0|0,1,0]=3 11785 B13R1.369 COCCSc1ccc(cc1O)F 62a_100000233755_100000690578 [0,2,0,0,0,0|0,2,0]=4 11786 B13R1.369 COCCSc1ccc(cc1O)F 62a_100000690578_100000233755 [0,2,0,0,0,0|0,2,0]=4 11787 B13R1.369 COCCSc1ccc(cc1O)O 62a_100000233755_100009813921 [0,2,0,0,0,0|1,1,0]=4 11788 B13R1.369 COCCSc1ccc(nc1C)Cl 62a_100000062408_100000233755 [0,2,0,0,0,0|1,1,0]=4 11789 B13R1.369 COCCSc1ccc(nc1C)Cl 62a_100000233755_100000062408 [0,2,0,0,0,0|1,1,0]=4 11790 B13R1.369 COCCSc1ccc(nc1Cl)Cl 62a_100000233755_100000043682 [0,2,0,0,0,0|1,1,0]=4 11791 B13R1.369 COCCSc1ccc(nc1F)Cl 62a_100000233755_100010168078 [0,2,0,0,0,0|1,1,0]=4 11792 B13R1.369 COCCSc1ccc(nc1F)Cl 62a_100010168078_100000233755 [0,2,0,0,0,0|1,1,0]=4 11793 B13R1.369 COCCSc1ccc(nc1N)Cl 62a_100000233755_100010171640 [0,2,0,0,0,0|1,1,0]=4 11794 B13R1.369 COCCSc1ccc(nc1N)Cl 62a_100010171640_100000233755 [0,2,0,0,0,0|1,1,0]=4 11795 B13R1.369 COCCSc1cnc(cc1C)Cl 62a_100000233755_100010172789 [0,2,0,0,0,0|1,1,0]=4 11796 B13R1.369 COCCSc1cnc(cc1C)Cl 62a_100010172789_100000233755 [0,2,0,0,0,0|1,1,0]=4 11797 B13R1.369 COCCSc1cnc(cc1Cl)Cl 62a_100000233755_100010200927 [0,2,0,0,0,0|1,1,0]=4 11798 B13R1.369 COCCSc1cnc(cc1Cl)Cl 62a_100010200927_100000233755 [0,2,0,0,0,0|1,1,0]=4 11799 B13R1.369 COCCSc1cnc(cc1F)Cl 62a_100000233755_100010128100 [0,2,0,0,0,0|1,1,0]=4 11800 B13R1.369 COCCSc1cnc(cc1F)Cl 62a_100010128100_100000233755 [0,2,0,0,0,0|1,1,0]=4 11801 B13R1.369 COCCSc1cnc(cc1N)Cl 62a_100000233755_100010209552 [0,2,0,0,0,0|1,1,0]=4 11802 B13R1.369 COCCSc1cnc(cc1N)Cl 62a_100010209552_100000233755 [0,2,0,0,0,0|1,1,0]=4 11803 B13R1.369 COCCSc1ncc(cc1Br)Cl 62a_100000233755_100012154958 [0,2,0,0,0,0|1,1,0]=4 11804 B13R1.369 COCCSc1ncc(cc1Br)Cl 62a_100012154958_100000233755 [0,2,0,0,0,0|1,1,0]=4 11805 B13R1.369 COCCSc1ncc(cc1F)Cl 62a_100000233755_100012348686 [0,2,0,0,0,0|1,1,0]=4 11806 B13R1.369 COCCSc1ncc(cc1F)Cl 62a_100012348686_100000233755 [0,2,0,0,0,0|1,1,0]=4 11807 B13R1.369 COCCSc1ncc(cc1O)Cl 62a_100000233755_100010233512 [0,2,0,0,0,0|1,1,0]=4 11808 B13R1.369 COCCSc1ncc(cc1O)Cl 62a_100010233512_100000233755 [0,2,0,0,0,0|1,1,0]=4 11809 B13R1.369 COCSCc1ccc(cc1Br)Cl 62a_100000755608_100000766300 [0,2,0,0,0,0|2,0,0]=4 11810 B13R1.369 COCSCc1ccc(cc1Br)Cl 62a_100000766300_100000755608 [0,2,0,0,0,0|2,0,0]=4 11811 B13R1.369 COCSCc1ccc(cc1C)Cl 62a_100000766300_100012361307 [0,2,0,0,0,0|2,0,0]=4 11812 B13R1.369 COCSCc1ccc(cc1C)Cl 62a_100012361307_100000766300 [0,2,0,0,0,0|2,0,0]=4 11813 B13R1.369 COCSCc1ccc(cc1Cl)Cl 62a_100000188473_100000766300 [0,2,0,0,0,0|2,0,0]=4 11814 B13R1.369 COCSCc1ccc(cc1Cl)Cl 62a_100000766300_100000188473 [0,2,0,0,0,0|2,0,0]=4 11815 B13R1.369 COCSCc1ccc(cc1F)Cl 62a_100000709361_100000766300 [0,2,0,0,0,0|2,0,0]=4 11816 B13R1.369 COCSCc1ccc(cc1F)Cl 62a_100000766300_100000709361 [0,2,0,0,0,0|2,0,0]=4 11817 B13R1.369 COCSCc1ccc(cc1I)Cl 62a_100000766300_100010254388 [0,2,0,0,0,0|2,0,0]=4 11818 B13R1.369 COCSCc1ccc(cc1I)Cl 62a_100010254388_100000766300 [0,2,0,0,0,0|2,0,0]=4 11819 B13R1.369 CSCCNc1ccc(cc1Br)Cl 34a_100000752454_100000212216 [0,2,0,0,0,0|1,1,0]=4 11820 B13R1.369 CSCCNc1ccc(cc1C)Cl 34a_100000210418_100000212216 [0,2,0,0,0,0|1,1,0]=4 11821 B13R1.369 CSCCNc1ccc(cc1C)Cl 7a_100000210418_100000212216 [0,2,0,0,0,0|1,1,0]=4 11822 B13R1.369 CSCCNc1ccc(cc1Cl)Cl 34a_100000185861_100000212216 [0,2,0,0,0,0|1,1,0]=4 11823 B13R1.369 CSCCNc1ccc(cc1F)Cl 34a_100000211020_100000212216 [0,2,0,0,0,0|1,1,0]=4 11824 B13R1.369 CSCCNc1ccc(cc1I)Cl 34a_100000761889_100000212216 [0,2,0,0,0,0|1,1,0]=4 11825 B13R1.369 CSCCNc1ccc(cc1O)Cl 34a_100000185728_100000212216 [0,2,0,0,0,0|1,1,0]=4 11826 B13R1.369 CSCCOc1ccc(cc1Br)Br 34a_100000188717_100000212216 [0,2,0,0,0,0|0,2,0]=4 11827 B13R1.369 CSCCOc1ccc(cc1Br)Br 7a_100000188717_100000212216 [0,2,0,0,0,0|0,2,0]=4 11828 B13R1.369 CSCCOc1ccc(cc1Br)C 34a_100000210800_100000212216 [0,2,0,0,0,0|1,1,0]=4 11829 B13R1.369 CSCCOc1ccc(cc1Br)C 7a_100000210800_100000212216 [0,2,0,0,0,0|1,1,0]=4 11830 B13R1.369 CSCCOc1ccc(cc1Br)Cl 34a_100000211998_100000212216 [0,2,0,0,0,0|0,1,0]=3 11831 B13R1.369 CSCCOc1ccc(cc1Br)Cl 62a_100000199037_200000210301 [0,2,0,0,0,0|0,1,0]=3 11832 B13R1.369 CSCCOc1ccc(cc1Br)Cl 62a_200000210301_100000199037 [0,2,0,0,0,0|0,1,0]=3 11833 B13R1.369 CSCCOc1ccc(cc1Br)Cl 7a_100000211998_100000212216 [0,2,0,0,0,0|0,1,0]=3 11834 B13R1.369 CSCCOc1ccc(cc1Br)F 34a_100000211999_100000212216 [0,2,0,0,0,0|0,2,0]=4 11835 B13R1.369 CSCCOc1ccc(cc1Br)F 7a_100000211999_100000212216 [0,2,0,0,0,0|0,2,0]=4 11836 B13R1.369 CSCCOc1ccc(cc1Br)I 34a_100012361655_100000212216 [0,2,0,0,0,0|0,2,0]=4 11837 B13R1.369 CSCCOc1ccc(cc1Br)I 7a_100012361655_100000212216 [0,2,0,0,0,0|0,2,0]=4 11838 B13R1.369 CSCCOc1ccc(cc1Br)N 34a_100011534360_100000212216 [0,2,0,0,0,0|1,1,0]=4 11839 B13R1.369 CSCCOc1ccc(cc1Br)N 7a_100011534360_100000212216 [0,2,0,0,0,0|1,1,0]=4 11840 B13R1.369 CSCCOc1ccc(cc1C)Br 34a_100000186361_100000212216 [0,2,0,0,0,0|0,2,0]=4 11841 B13R1.369 CSCCOc1ccc(cc1C)Br 7a_100000186361_100000212216 [0,2,0,0,0,0|0,2,0]=4 11842 B13R1.369 CSCCOc1ccc(cc1C)C 34a_100000211776_100000212216 [0,2,0,0,0,0|1,1,0]=4 11843 B13R1.369 CSCCOc1ccc(cc1C)C 62a_100011210784_200000210301 [0,2,0,0,0,0|1,1,0]=4 11844 B13R1.369 CSCCOc1ccc(cc1C)C 62a_200000210301_100011210784 [0,2,0,0,0,0|1,1,0]=4 11845 B13R1.369 CSCCOc1ccc(cc1C)C 7a_100000211776_100000212216 [0,2,0,0,0,0|1,1,0]=4 11846 B13R1.369 CSCCOc1ccc(cc1C)Cl 34a_100000211091_100000212216 [0,2,0,0,0,0|0,1,0]=3 11847 B13R1.369 CSCCOc1ccc(cc1C)Cl 7a_100000211091_100000212216 [0,2,0,0,0,0|0,1,0]=3 11848 B13R1.369 CSCCOc1ccc(cc1C)F 34a_100000764316_100000212216 [0,2,0,0,0,0|0,2,0]=4 11849 B13R1.369 CSCCOc1ccc(cc1C)F 7a_100000764316_100000212216 [0,2,0,0,0,0|0,2,0]=4 11850 B13R1.369 CSCCOc1ccc(cc1C)I 34a_100011218673_100000212216 [0,2,0,0,0,0|0,2,0]=4 11851 B13R1.369 CSCCOc1ccc(cc1C)I 7a_100011218673_100000212216 [0,2,0,0,0,0|0,2,0]=4 11852 B13R1.369 CSCCOc1ccc(cc1C)N 34a_100011218179_100000212216 [0,2,0,0,0,0|1,1,0]=4 11853 B13R1.369 CSCCOc1ccc(cc1C)N 7a_100011218179_100000212216 [0,2,0,0,0,0|1,1,0]=4 11854 B13R1.369 CSCCOc1ccc(cc1Cl)Br 34a_100000186472_100000212216 [0,2,0,0,0,0|0,2,0]=4 11855 B13R1.369 CSCCOc1ccc(cc1Cl)Br 7a_100000186472_100000212216 [0,2,0,0,0,0|0,2,0]=4 11856 B13R1.369 CSCCOc1ccc(cc1Cl)C 34a_100000749699_100000212216 [0,2,0,0,0,0|1,1,0]=4 11857 B13R1.369 CSCCOc1ccc(cc1Cl)C 7a_100000749699_100000212216 [0,2,0,0,0,0|1,1,0]=4 11858 B13R1.369 CSCCOc1ccc(cc1Cl)Cl 34a_100015191787_100000212216 [0,2,0,0,0,0|0,1,0]=3 11859 B13R1.369 CSCCOc1ccc(cc1Cl)Cl 62a_100000184432_200000210301 [0,2,0,0,0,0|0,1,0]=3 11860 B13R1.369 CSCCOc1ccc(cc1Cl)Cl 62a_200000210301_100000184432 [0,2,0,0,0,0|0,1,0]=3 11861 B13R1.369 CSCCOc1ccc(cc1Cl)Cl 7a_100015191787_100000212216 [0,2,0,0,0,0|0,1,0]=3 11862 B13R1.369 CSCCOc1ccc(cc1Cl)F 34a_100000212004_100000212216 [0,2,0,0,0,0|0,2,0]=4 11863 B13R1.369 CSCCOc1ccc(cc1Cl)F 7a_100000212004_100000212216 [0,2,0,0,0,0|0,2,0]=4 11864 B13R1.369 CSCCOc1ccc(cc1Cl)I 34a_100012360047_100000212216 [0,2,0,0,0,0|0,2,0]=4 11865 B13R1.369 CSCCOc1ccc(cc1Cl)I 7a_100012360047_100000212216 [0,2,0,0,0,0|0,2,0]=4 11866 B13R1.369 CSCCOc1ccc(cc1Cl)N 34a_100000744943_100000212216 [0,2,0,0,0,0|1,1,0]=4 11867 B13R1.369 CSCCOc1ccc(cc1Cl)N 7a_100000744943_100000212216 [0,2,0,0,0,0|1,1,0]=4 11868 B13R1.369 CSCCOc1ccc(cc1F)Br 34a_100000185481_100000212216 [0,2,0,0,0,0|0,2,0]=4 11869 B13R1.369 CSCCOc1ccc(cc1F)Br 7a_100000185481_100000212216 [0,2,0,0,0,0|0,2,0]=4 11870 B13R1.369 CSCCOc1ccc(cc1F)C 34a_100011216688_100000212216 [0,2,0,0,0,0|1,1,0]=4 11871 B13R1.369 CSCCOc1ccc(cc1F)C 7a_100011216688_100000212216 [0,2,0,0,0,0|1,1,0]=4 11872 B13R1.369 CSCCOc1ccc(cc1F)Cl 34a_100000230166_100000212216 [0,2,0,0,0,0|0,1,0]=3 11873 B13R1.369 CSCCOc1ccc(cc1F)Cl 7a_100000230166_100000212216 [0,2,0,0,0,0|0,1,0]=3 11874 B13R1.369 CSCCOc1ccc(cc1F)F 34a_100000230127_100000212216 [0,2,0,0,0,0|0,2,0]=4 11875 B13R1.369 CSCCOc1ccc(cc1F)F 7a_100000230127_100000212216 [0,2,0,0,0,0|0,2,0]=4 11876 B13R1.369 CSCCOc1ccc(cc1F)I 34a_100011356965_100000212216 [0,2,0,0,0,0|0,2,0]=4 11877 B13R1.369 CSCCOc1ccc(cc1F)I 7a_100011356965_100000212216 [0,2,0,0,0,0|0,2,0]=4 11878 B13R1.369 CSCCOc1ccc(cc1F)N 34a_100011220035_100000212216 [0,2,0,0,0,0|1,1,0]=4 11879 B13R1.369 CSCCOc1ccc(cc1F)N 7a_100011220035_100000212216 [0,2,0,0,0,0|1,1,0]=4 11880 B13R1.369 CSCCOc1ccc(cc1I)Br 34a_100012355227_100000212216 [0,2,0,0,0,0|0,2,0]=4 11881 B13R1.369 CSCCOc1ccc(cc1I)Br 7a_100012355227_100000212216 [0,2,0,0,0,0|0,2,0]=4 11882 B13R1.369 CSCCOc1ccc(cc1I)C 34a_100000765521_100000212216 [0,2,0,0,0,0|1,1,0]=4 11883 B13R1.369 CSCCOc1ccc(cc1I)C 7a_100000765521_100000212216 [0,2,0,0,0,0|1,1,0]=4 11884 B13R1.369 CSCCOc1ccc(cc1I)Cl 34a_100011356953_100000212216 [0,2,0,0,0,0|0,1,0]=3 11885 B13R1.369 CSCCOc1ccc(cc1I)Cl 7a_100011356953_100000212216 [0,2,0,0,0,0|0,1,0]=3 11886 B13R1.369 CSCCOc1ccc(cc1I)F 34a_100012355409_100000212216 [0,2,0,0,0,0|0,2,0]=4 11887 B13R1.369 CSCCOc1ccc(cc1I)F 7a_100012355409_100000212216 [0,2,0,0,0,0|0,2,0]=4 11888 B13R1.369 CSCCOc1ccc(cc1I)I 7a_100010001573_100000212216 [0,2,0,0,0,0|0,2,0]=4 11889 B13R1.369 CSCCOc1ccc(cc1N)Br 34a_100000752626_100000212216 [0,2,0,0,0,0|0,2,0]=4 11890 B13R1.369 CSCCOc1ccc(cc1N)Br 7a_100000752626_100000212216 [0,2,0,0,0,0|0,2,0]=4 11891 B13R1.369 CSCCOc1ccc(cc1N)C 34a_100011215204_100000212216 [0,2,0,0,0,0|1,1,0]=4 11892 B13R1.369 CSCCOc1ccc(cc1N)C 7a_100011215204_100000212216 [0,2,0,0,0,0|1,1,0]=4 11893 B13R1.369 CSCCOc1ccc(cc1N)Cl 34a_100000210500_100000212216 [0,2,0,0,0,0|0,1,0]=3 11894 B13R1.369 CSCCOc1ccc(cc1N)Cl 7a_100000210500_100000212216 [0,2,0,0,0,0|0,1,0]=3 11895 B13R1.369 CSCCOc1ccc(cc1N)F 34a_100000759472_100000212216 [0,2,0,0,0,0|0,2,0]=4 11896 B13R1.369 CSCCOc1ccc(cc1N)F 7a_100000759472_100000212216 [0,2,0,0,0,0|0,2,0]=4 11897 B13R1.369 CSCCOc1ccc(cc1N)I 34a_100000753495_100000212216 [0,2,0,0,0,0|0,2,0]=4 11898 B13R1.369 CSCCOc1ccc(cc1N)I 7a_100000753495_100000212216 [0,2,0,0,0,0|0,2,0]=4 11899 B13R1.369 CSCCOc1ccc(cc1N)N 34a_100000725306_100000212216 [0,2,0,0,0,0|1,1,0]=4 11900 B13R1.369 CSCCOc1ccc(nc1Br)Cl 34a_100010219353_100000212216 [0,2,0,0,0,0|1,1,0]=4 11901 B13R1.369 CSCCOc1ccc(nc1Br)Cl 7a_100010219353_100000212216 [0,2,0,0,0,0|1,1,0]=4 11902 B13R1.369 CSCCOc1ccc(nc1C)Cl 34a_100012184626_100000212216 [0,2,0,0,0,0|1,1,0]=4 11903 B13R1.369 CSCCOc1ccc(nc1C)Cl 7a_100012184626_100000212216 [0,2,0,0,0,0|1,1,0]=4 11904 B13R1.369 CSCCOc1ccc(nc1Cl)Cl 34a_100000101165_100000212216 [0,2,0,0,0,0|1,1,0]=4 11905 B13R1.369 CSCCOc1ccc(nc1Cl)Cl 7a_100000101165_100000212216 [0,2,0,0,0,0|1,1,0]=4 11906 B13R1.369 CSCCOc1ccc(nc1F)Cl 34a_100009880201_100000212216 [0,2,0,0,0,0|1,1,0]=4 11907 B13R1.369 CSCCOc1ccc(nc1F)Cl 7a_100009880201_100000212216 [0,2,0,0,0,0|1,1,0]=4 11908 B13R1.369 CSCCOc1ccc(nc1I)Cl 34a_100000696390_100000212216 [0,2,0,0,0,0|1,1,0]=4 11909 B13R1.369 CSCCOc1ccc(nc1I)Cl 7a_100000696390_100000212216 [0,2,0,0,0,0|1,1,0]=4 11910 B13R1.369 CSCCOc1ccc(nc1N)Cl 34a_100000717809_100000212216 [0,2,0,0,0,0|1,1,0]=4 11911 B13R1.369 CSCCOc1ccc(nc1N)Cl 7a_100000717809_100000212216 [0,2,0,0,0,0|1,1,0]=4 11912 B13R1.369 CSCCOc1cnc(cc1C)Cl 34a_100000692680_100000212216 [0,2,0,0,0,0|1,1,0]=4 11913 B13R1.369 CSCCOc1cnc(cc1C)Cl 7a_100000692680_100000212216 [0,2,0,0,0,0|1,1,0]=4 11914 B13R1.369 CSCCOc1cnc(cc1Cl)Cl 34a_100009868576_100000212216 [0,2,0,0,0,0|1,1,0]=4 11915 B13R1.369 CSCCOc1cnc(cc1Cl)Cl 7a_100009868576_100000212216 [0,2,0,0,0,0|1,1,0]=4 11916 B13R1.369 CSCCOc1cnc(cc1I)Cl 34a_100000698892_100000212216 [0,2,0,0,0,0|1,1,0]=4 11917 B13R1.369 CSCCOc1cnc(cc1I)Cl 7a_100000698892_100000212216 [0,2,0,0,0,0|1,1,0]=4 11918 B13R1.369 CSCCOc1ncc(cc1F)Cl 34a_100011998252_100000212216 [0,2,0,0,0,0|1,1,0]=4 11919 B13R1.369 CSCCOc1ncc(cc1N)Cl 34a_100011998249_100000212216 [0,2,0,0,0,0|1,1,0]=4 11920 B13R1.369 CSCCSc1ccc(cc1Br)Cl 62a_100000212216_100011219703 [0,2,0,0,0,0|0,2,0]=4 11921 B13R1.369 CSCCSc1ccc(cc1Br)Cl 62a_100011219703_100000751147 [0,2,0,0,0,0|0,2,0]=4 11922 B13R1.369 CSCCSc1ccc(cc1C)Cl 62a_100000212216_100011219607 [0,2,0,0,0,0|0,2,0]=4 11923 B13R1.369 CSCCSc1ccc(cc1C)Cl 62a_100011219607_100000751147 [0,2,0,0,0,0|0,2,0]=4 11924 B13R1.369 CSCCSc1ccc(cc1Cl)Cl 62a_100000212216_100000699841 [0,2,0,0,0,0|0,2,0]=4 11925 B13R1.369 CSCCSc1ccc(cc1Cl)Cl 62a_100000699841_100000751147 [0,2,0,0,0,0|0,2,0]=4 11926 B13R1.369 CSCCSc1ccc(cc1F)Cl 62a_100000212216_100011216042 [0,2,0,0,0,0|0,2,0]=4 11927 B13R1.369 CSCCSc1ccc(cc1F)Cl 62a_100011216042_100000751147 [0,2,0,0,0,0|0,2,0]=4 11928 B13R1.369 CSCCSc1ccc(cc1N)Cl 62a_100000212216_100000761886 [0,2,0,0,0,0|0,2,0]=4 11929 B13R1.369 CSCCSc1ccc(cc1N)Cl 62a_100000761886_100000751147 [0,2,0,0,0,0|0,2,0]=4 11930 B13R1.369 CSCCSc1ccc(cc1O)Cl 62a_100000050036_100000751147 [0,2,0,0,0,0|0,2,0]=4 11931 B13R1.369 CSCCSc1ccc(cc1O)Cl 62a_100000212216_100000050036 [0,2,0,0,0,0|0,2,0]=4 11932 B13R1.369 CSCOCc1ccc(cc1Br)Cl 34a_100000707881_100011218213 [0,2,0,0,0,0|2,0,0]=4 11933 B13R1.369 CSCOCc1ccc(cc1C)Cl 34a_100000702939_100011218213 [0,2,0,0,0,0|2,0,0]=4 11934 B13R1.369 CSCOCc1ccc(cc1Cl)Cl 34a_100000215721_100011218213 [0,2,0,0,0,0|2,0,0]=4 11935 B13R1.369 CSCOCc1ccc(cc1F)Cl 34a_100011217562_100011218213 [0,2,0,0,0,0|2,0,0]=4 11936 B13R1.369 CSCOCc1ccc(cc1I)Cl 34a_100000722340_100011218213 [0,2,0,0,0,0|2,0,0]=4 11937 B13R1.369 CSCOCc1ccc(cc1N)Cl 34a_100000238622_100011218213 [0,2,0,0,0,0|2,0,0]=4 11938 B13R1.369 Cc1cc(=O)c(co1)OCCCO 34a_100000081520_100000230001 [0,2,0,0,0,0|2,0,0]=4 11939 B13R1.369 Cc1cc(c(cn1)COCCO)N 34a_200012022818_100000211926 [0,2,0,0,0,0|2,0,0]=4 11940 B13R1.369 Cc1cc(c(cn1)OCCCO)Br 34a_100009843476_100000230001 [0,2,0,0,0,0|2,0,0]=4 11941 B13R1.369 Cc1cc(c(cn1)OCCCO)Br 7a_100009843476_100011215043 [0,2,0,0,0,0|2,0,0]=4 11942 B13R1.369 Cc1cc(c(cn1)OCCCO)C 34a_200000068632_100000230001 [0,2,0,0,0,0|2,0,0]=4 11943 B13R1.369 Cc1cc(c(cn1)OCCCO)C 7a_200000068632_100011215043 [0,2,0,0,0,0|2,0,0]=4 11944 B13R1.369 Cc1cc(ccc1CNCCF)Cl 34a_100000724931_100012361307 [0,2,0,0,0,0|2,0,0]=4 11945 B13R1.369 Cc1cc(ccc1CNCCF)Cl 34a_103436540063_100011217306 [0,2,0,0,0,0|2,0,0]=4 11946 B13R1.369 Cc1cc(ccc1CNCCO)Br 207a_100000210304_100000687586 [0,2,0,0,0,0|1,1,0]=4 11947 B13R1.369 Cc1cc(ccc1CNCCO)Br 2230a_100016997473_100000708836 [0,2,0,0,0,0|1,1,0]=4 11948 B13R1.369 Cc1cc(ccc1CNCCO)Br 270004a_100000210304_100000687586 [0,2,0,0,0,0|1,1,0]=4 11949 B13R1.369 Cc1cc(ccc1CNCCO)Br 34a_100000753881_100000211926 [0,2,0,0,0,0|1,1,0]=4 11950 B13R1.369 Cc1cc(ccc1CNCCO)Br 34a_100016990907_100000708836 [0,2,0,0,0,0|1,1,0]=4 11951 B13R1.369 Cc1cc(ccc1CNCCO)Cl 207a_100000210304_100000766358 [0,2,0,0,0,0|1,0,0]=3 11952 B13R1.369 Cc1cc(ccc1CNCCO)Cl 2230a_100016997473_100012361307 [0,2,0,0,0,0|1,0,0]=3 11953 B13R1.369 Cc1cc(ccc1CNCCO)Cl 270004a_100000210304_100000766358 [0,2,0,0,0,0|1,0,0]=3 11954 B13R1.369 Cc1cc(ccc1CNCCO)Cl 34a_100016990907_100012361307 [0,2,0,0,0,0|1,0,0]=3 11955 B13R1.369 Cc1cc(ccc1CNCCO)Cl 34a_103436540063_100000211926 [0,2,0,0,0,0|1,0,0]=3 11956 B13R1.369 Cc1cc(ccc1CNCCO)F 207a_100000210304_100000745986 [0,2,0,0,0,0|1,1,0]=4 11957 B13R1.369 Cc1cc(ccc1CNCCO)F 2230a_100016997473_100000700533 [0,2,0,0,0,0|1,1,0]=4 11958 B13R1.369 Cc1cc(ccc1CNCCO)F 270004a_100000210304_100000745986 [0,2,0,0,0,0|1,1,0]=4 11959 B13R1.369 Cc1cc(ccc1CNCCO)F 34a_100016990907_100000700533 [0,2,0,0,0,0|1,1,0]=4 11960 B13R1.369 Cc1cc(ccc1CNCCO)F 34a_100137329023_100000211926 [0,2,0,0,0,0|1,1,0]=4 11961 B13R1.369 Cc1cc(ccc1COCC#N)Cl 7a_100000702939_100011215382 [0,2,0,0,0,0|1,0,1]=4 11962 B13R1.369 Cc1cc(ccc1COCC=O)Cl 34a_100000702939_200009817547 [0,2,0,0,0,0|0,0,2]=4 11963 B13R1.369 Cc1cc(ccc1COCC=O)Cl 7a_100000702939_200015260668 [0,2,0,0,0,0|0,0,2]=4 11964 B13R1.369 Cc1cc(ccc1COCCBr)Br 34a_100000211926_100000708836 [0,2,0,0,0,0|1,1,0]=4 11965 B13R1.369 Cc1cc(ccc1COCCBr)Cl 34a_100000211926_100012361307 [0,2,0,0,0,0|1,0,0]=3 11966 B13R1.369 Cc1cc(ccc1COCCBr)F 34a_100000211926_100000700533 [0,2,0,0,0,0|1,1,0]=4 11967 B13R1.369 Cc1cc(ccc1COCCF)Br 34a_100000748258_100011217306 [0,2,0,0,0,0|1,1,0]=4 11968 B13R1.369 Cc1cc(ccc1COCCF)Br 7a_100000748258_100011217306 [0,2,0,0,0,0|1,1,0]=4 11969 B13R1.369 Cc1cc(ccc1COCCF)Cl 34a_100000702939_100011217306 [0,2,0,0,0,0|1,0,0]=3 11970 B13R1.369 Cc1cc(ccc1COCCF)Cl 7a_100000702939_100011217306 [0,2,0,0,0,0|1,0,0]=3 11971 B13R1.369 Cc1cc(ccc1COCCF)F 34a_100000700136_100011217306 [0,2,0,0,0,0|1,1,0]=4 11972 B13R1.369 Cc1cc(ccc1COCCF)F 7a_100000700136_100011217306 [0,2,0,0,0,0|1,1,0]=4 11973 B13R1.369 Cc1cc(ccc1COCCF)N 34a_100000102464_100011217306 [0,2,0,0,0,0|2,0,0]=4 11974 B13R1.369 Cc1cc(ccc1COCCF)N 7a_100000102464_100011217306 [0,2,0,0,0,0|2,0,0]=4 11975 B13R1.369 Cc1cc(ccc1COCCN)Br 34a_100000210304_100000708836 [0,2,0,0,0,0|1,1,0]=4 11976 B13R1.369 Cc1cc(ccc1COCCN)Cl 34a_100000210304_100012361307 [0,2,0,0,0,0|1,0,0]=3 11977 B13R1.369 Cc1cc(ccc1COCCN)F 34a_100000210304_100000700533 [0,2,0,0,0,0|1,1,0]=4 11978 B13R1.369 Cc1cc(ccc1COCCO)Br 34a_100000748258_100000211926 [0,2,0,0,0,0|0,1,0]=3 11979 B13R1.369 Cc1cc(ccc1COCCO)Br 7a_100000748258_100000211926 [0,2,0,0,0,0|0,1,0]=3 11980 B13R1.369 Cc1cc(ccc1COCCO)Cl 34a_100000702939_100000211926 [0,2,0,0,0,0|0,0,0]=2 11981 B13R1.369 Cc1cc(ccc1COCCO)Cl 7a_100000702939_100000211926 [0,2,0,0,0,0|0,0,0]=2 11982 B13R1.369 Cc1cc(ccc1COCCO)F 34a_100000700136_100000211926 [0,2,0,0,0,0|0,1,0]=3 11983 B13R1.369 Cc1cc(ccc1COCCO)F 7a_100000700136_100000211926 [0,2,0,0,0,0|0,1,0]=3 11984 B13R1.369 Cc1cc(ccc1COCCO)N 34a_100000102464_100000211926 [0,2,0,0,0,0|1,0,0]=3 11985 B13R1.369 Cc1cc(ccc1COCCO)N 7a_100000102464_100000211926 [0,2,0,0,0,0|1,0,0]=3 11986 B13R1.369 Cc1cc(ccc1CSCCF)Cl 62a_100011217306_100012361307 [0,2,0,0,0,0|1,1,0]=4 11987 B13R1.369 Cc1cc(ccc1CSCCF)Cl 62a_100012361307_100011217306 [0,2,0,0,0,0|1,1,0]=4 11988 B13R1.369 Cc1cc(ccc1CSCCO)Br 62a_100000211926_100000708836 [0,2,0,0,0,0|0,2,0]=4 11989 B13R1.369 Cc1cc(ccc1CSCCO)Br 62a_100000708836_100000211926 [0,2,0,0,0,0|0,2,0]=4 11990 B13R1.369 Cc1cc(ccc1CSCCO)Cl 62a_100000211926_100012361307 [0,2,0,0,0,0|0,1,0]=3 11991 B13R1.369 Cc1cc(ccc1CSCCO)Cl 62a_100012361307_100000211926 [0,2,0,0,0,0|0,1,0]=3 11992 B13R1.369 Cc1cc(ccc1CSCCO)F 62a_100000211926_100000700533 [0,2,0,0,0,0|0,2,0]=4 11993 B13R1.369 Cc1cc(ccc1CSCCO)F 62a_100000700533_100000211926 [0,2,0,0,0,0|0,2,0]=4 11994 B13R1.369 Cc1cc(ccc1NCCC#N)Cl 7a_100000210418_100000184422 [0,2,0,0,0,0|2,0,0]=4 11995 B13R1.369 Cc1cc(ccc1NCCCF)Cl 34a_100000210418_100011934791 [0,2,0,0,0,0|2,0,0]=4 11996 B13R1.369 Cc1cc(ccc1NCCCF)Cl 7a_100000210418_100011934791 [0,2,0,0,0,0|2,0,0]=4 11997 B13R1.369 Cc1cc(ccc1NCCCO)Br 34a_100000211769_100000230001 [0,2,0,0,0,0|1,1,0]=4 11998 B13R1.369 Cc1cc(ccc1NCCCO)Br 7a_100000211769_100011215043 [0,2,0,0,0,0|1,1,0]=4 11999 B13R1.369 Cc1cc(ccc1NCCCO)Cl 34a_100000210418_100000230001 [0,2,0,0,0,0|1,0,0]=3 12000 B13R1.369 Cc1cc(ccc1NCCCO)Cl 7a_100000210418_100011215043 [0,2,0,0,0,0|1,0,0]=3 12001 B13R1.369 Cc1cc(ccc1NCCCO)F 34a_100000211637_100000230001 [0,2,0,0,0,0|1,1,0]=4 12002 B13R1.369 Cc1cc(ccc1NCCCO)F 7a_100000211637_100011215043 [0,2,0,0,0,0|1,1,0]=4 12003 B13R1.369 Cc1cc(ccc1NCCCO)I 34a_100000184554_100000230001 [0,2,0,0,0,0|1,1,0]=4 12004 B13R1.369 Cc1cc(ccc1NCCCO)I 7a_100000184554_100011215043 [0,2,0,0,0,0|1,1,0]=4 12005 B13R1.369 Cc1cc(ccc1NCCCO)O 34a_100000756630_100000230001 [0,2,0,0,0,0|2,0,0]=4 12006 B13R1.369 Cc1cc(ccc1OCCC#N)Br 7a_100000186361_100000184422 [0,2,0,0,0,0|1,1,0]=4 12007 B13R1.369 Cc1cc(ccc1OCCC#N)Cl 7a_100000211091_100000184422 [0,2,0,0,0,0|1,0,0]=3 12008 B13R1.369 Cc1cc(ccc1OCCC#N)F 7a_100000764316_100000184422 [0,2,0,0,0,0|1,1,0]=4 12009 B13R1.369 Cc1cc(ccc1OCCC#N)I 7a_100011218673_100000184422 [0,2,0,0,0,0|1,1,0]=4 12010 B13R1.369 Cc1cc(ccc1OCCC#N)N 7a_100011218179_100000184422 [0,2,0,0,0,0|2,0,0]=4 12011 B13R1.369 Cc1cc(ccc1OCCCF)Br 34a_100000186361_100011934791 [0,2,0,0,0,0|1,1,0]=4 12012 B13R1.369 Cc1cc(ccc1OCCCF)Br 7a_100000186361_100011934791 [0,2,0,0,0,0|1,1,0]=4 12013 B13R1.369 Cc1cc(ccc1OCCCF)Cl 34a_100000211091_100011934791 [0,2,0,0,0,0|1,0,0]=3 12014 B13R1.369 Cc1cc(ccc1OCCCF)Cl 7a_100000211091_100011934791 [0,2,0,0,0,0|1,0,0]=3 12015 B13R1.369 Cc1cc(ccc1OCCCF)F 34a_100000764316_100011934791 [0,2,0,0,0,0|1,1,0]=4 12016 B13R1.369 Cc1cc(ccc1OCCCF)F 7a_100000764316_100011934791 [0,2,0,0,0,0|1,1,0]=4 12017 B13R1.369 Cc1cc(ccc1OCCCF)I 34a_100011218673_100011934791 [0,2,0,0,0,0|1,1,0]=4 12018 B13R1.369 Cc1cc(ccc1OCCCF)I 7a_100011218673_100011934791 [0,2,0,0,0,0|1,1,0]=4 12019 B13R1.369 Cc1cc(ccc1OCCCF)N 34a_100011218179_100011934791 [0,2,0,0,0,0|2,0,0]=4 12020 B13R1.369 Cc1cc(ccc1OCCCF)N 7a_100011218179_100011934791 [0,2,0,0,0,0|2,0,0]=4 12021 B13R1.369 Cc1cc(ccc1OCCCO)Br 34a_100000186361_100000230001 [0,2,0,0,0,0|0,1,0]=3 12022 B13R1.369 Cc1cc(ccc1OCCCO)Br 7a_100000186361_100011215043 [0,2,0,0,0,0|0,1,0]=3 12023 B13R1.369 Cc1cc(ccc1OCCCO)Cl 34a_100000211091_100000230001 [0,2,0,0,0,0|0,0,0]=2 12024 B13R1.369 Cc1cc(ccc1OCCCO)Cl 7a_100000211091_100011215043 [0,2,0,0,0,0|0,0,0]=2 12025 B13R1.369 Cc1cc(ccc1OCCCO)F 34a_100000764316_100000230001 [0,2,0,0,0,0|0,1,0]=3 12026 B13R1.369 Cc1cc(ccc1OCCCO)F 7a_100000764316_100011215043 [0,2,0,0,0,0|0,1,0]=3 12027 B13R1.369 Cc1cc(ccc1OCCCO)I 34a_100011218673_100000230001 [0,2,0,0,0,0|0,1,0]=3 12028 B13R1.369 Cc1cc(ccc1OCCCO)I 7a_100011218673_100011215043 [0,2,0,0,0,0|0,1,0]=3 12029 B13R1.369 Cc1cc(ccc1OCCCO)N 34a_100011218179_100000230001 [0,2,0,0,0,0|1,0,0]=3 12030 B13R1.369 Cc1cc(ccc1OCCCO)N 7a_100011218179_100011215043 [0,2,0,0,0,0|1,0,0]=3 12031 B13R1.369 Cc1cc(ccc1OCCN[13CH3])Cl 2230a_100025744827_200025704644 [0,2,0,0,0,0|1,0,0]=3 12032 B13R1.369 Cc1cc(ccc1OCCN[13CH3])Cl 34a_100025744827_200025704644 [0,2,0,0,0,0|1,0,0]=3 12033 B13R1.369 Cc1cc(ccc1SCCC#N)Cl 62a_100011215226_100011219607 [0,2,0,0,0,0|1,1,0]=4 12034 B13R1.369 Cc1cc(ccc1SCCC#N)Cl 62a_100011219607_100011215226 [0,2,0,0,0,0|1,1,0]=4 12035 B13R1.369 Cc1cc(ccc1SCCCF)Cl 62a_100011219607_100011934791 [0,2,0,0,0,0|1,1,0]=4 12036 B13R1.369 Cc1cc(ccc1SCCCF)Cl 62a_100011934791_100011219607 [0,2,0,0,0,0|1,1,0]=4 12037 B13R1.369 Cc1cc(ccc1SCCCO)Br 62a_100000701812_100011215043 [0,2,0,0,0,0|0,2,0]=4 12038 B13R1.369 Cc1cc(ccc1SCCCO)Br 62a_100011215043_100000701812 [0,2,0,0,0,0|0,2,0]=4 12039 B13R1.369 Cc1cc(ccc1SCCCO)Cl 62a_100011215043_100011219607 [0,2,0,0,0,0|0,1,0]=3 12040 B13R1.369 Cc1cc(ccc1SCCCO)Cl 62a_100011219607_100011215043 [0,2,0,0,0,0|0,1,0]=3 12041 B13R1.369 Cc1cc(ccc1SCCCO)F 62a_100011205405_100011215043 [0,2,0,0,0,0|0,2,0]=4 12042 B13R1.369 Cc1cc(ccc1SCCCO)F 62a_100011215043_100011205405 [0,2,0,0,0,0|0,2,0]=4 12043 B13R1.369 Cc1cc(ccc1SCCCO)N 62a_100000210723_100011215043 [0,2,0,0,0,0|1,1,0]=4 12044 B13R1.369 Cc1cc(ccc1SCCCO)N 62a_100011215043_100000210723 [0,2,0,0,0,0|1,1,0]=4 12045 B13R1.369 Cc1cc(ccc1SCCCO)O 62a_100011215043_100000690111 [0,2,0,0,0,0|1,1,0]=4 12046 B13R1.369 Cc1cc(cnc1CNCCO)Cl 207a_100000210304_200009887756 [0,2,0,0,0,0|2,0,0]=4 12047 B13R1.369 Cc1cc(cnc1CNCCO)Cl 270004a_100000210304_200009887756 [0,2,0,0,0,0|2,0,0]=4 12048 B13R1.369 Cc1cc(cnc1COCCO)Br 34a_100010116297_100000211926 [0,2,0,0,0,0|1,1,0]=4 12049 B13R1.369 Cc1cc(cnc1COCCO)Br 7a_100010116297_100000211926 [0,2,0,0,0,0|1,1,0]=4 12050 B13R1.369 Cc1cc(cnc1OCCCO)Br 34a_100000685391_100000230001 [0,2,0,0,0,0|1,1,0]=4 12051 B13R1.369 Cc1cc(ncc1COCCF)Cl 34a_100010277336_100011217306 [0,2,0,0,0,0|2,0,0]=4 12052 B13R1.369 Cc1cc(ncc1COCCF)Cl 7a_100010277336_100011217306 [0,2,0,0,0,0|2,0,0]=4 12053 B13R1.369 Cc1cc(ncc1COCCO)Cl 34a_100010277336_100000211926 [0,2,0,0,0,0|1,0,0]=3 12054 B13R1.369 Cc1cc(ncc1COCCO)Cl 7a_100010277336_100000211926 [0,2,0,0,0,0|1,0,0]=3 12055 B13R1.369 Cc1cc(ncc1OCCC#N)Cl 7a_100000692680_100000184422 [0,2,0,0,0,0|2,0,0]=4 12056 B13R1.369 Cc1cc(ncc1OCCCF)Cl 34a_100000692680_100011934791 [0,2,0,0,0,0|2,0,0]=4 12057 B13R1.369 Cc1cc(ncc1OCCCF)Cl 7a_100000692680_100011934791 [0,2,0,0,0,0|2,0,0]=4 12058 B13R1.369 Cc1cc(ncc1OCCCO)Cl 34a_100000692680_100000230001 [0,2,0,0,0,0|1,0,0]=3 12059 B13R1.369 Cc1cc(ncc1OCCCO)Cl 7a_100000692680_100011215043 [0,2,0,0,0,0|1,0,0]=3 12060 B13R1.369 Cc1cc(ncc1OCCCO)F 34a_100009856773_100000230001 [0,2,0,0,0,0|1,1,0]=4 12061 B13R1.369 Cc1cc(ncc1OCCCO)F 7a_100009856773_100011215043 [0,2,0,0,0,0|1,1,0]=4 12062 B13R1.369 Cc1cc(ncc1SCCCO)Cl 62a_100010172789_100011215043 [0,2,0,0,0,0|1,1,0]=4 12063 B13R1.369 Cc1cc(ncc1SCCCO)Cl 62a_100011215043_100010172789 [0,2,0,0,0,0|1,1,0]=4 12064 B13R1.369 Cc1ccc(c(c1)Br)CNCCO 207a_100000210304_100000692596 [0,2,0,0,0,0|2,0,0]=4 12065 B13R1.369 Cc1ccc(c(c1)Br)CNCCO 270004a_100000210304_100000692596 [0,2,0,0,0,0|2,0,0]=4 12066 B13R1.369 Cc1ccc(c(c1)Br)NCCCO 34a_100000210942_100000230001 [0,2,0,0,0,0|2,0,0]=4 12067 B13R1.369 Cc1ccc(c(c1)Br)OCCC#N 7a_100000210800_100000184422 [0,2,0,0,0,0|2,0,0]=4 12068 B13R1.369 Cc1ccc(c(c1)Br)OCCCF 34a_100000210800_100011934791 [0,2,0,0,0,0|2,0,0]=4 12069 B13R1.369 Cc1ccc(c(c1)Br)OCCCF 7a_100000210800_100011934791 [0,2,0,0,0,0|2,0,0]=4 12070 B13R1.369 Cc1ccc(c(c1)Br)OCCCO 34a_100000210800_100000230001 [0,2,0,0,0,0|1,0,0]=3 12071 B13R1.369 Cc1ccc(c(c1)Br)OCCCO 7a_100000210800_100011215043 [0,2,0,0,0,0|1,0,0]=3 12072 B13R1.369 Cc1ccc(c(c1)Br)OCCN[13CH3] 2230a_100025744979_200025704644 [0,2,0,0,0,0|2,0,0]=4 12073 B13R1.369 Cc1ccc(c(c1)Br)OCCN[13CH3] 34a_100025744979_200025704644 [0,2,0,0,0,0|2,0,0]=4 12074 B13R1.369 Cc1ccc(c(c1)Br)SCCCO 62a_100009813563_100011215043 [0,2,0,0,0,0|1,1,0]=4 12075 B13R1.369 Cc1ccc(c(c1)Br)SCCCO 62a_100011215043_100009813563 [0,2,0,0,0,0|1,1,0]=4 12076 B13R1.369 Cc1ccc(c(c1)C)CNCCO 207a_100000210304_100000211342 [0,2,0,0,0,0|2,0,0]=4 12077 B13R1.369 Cc1ccc(c(c1)C)CNCCO 2230a_100016997473_100011219618 [0,2,0,0,0,0|2,0,0]=4 12078 B13R1.369 Cc1ccc(c(c1)C)CNCCO 270004a_100000210304_100000211342 [0,2,0,0,0,0|2,0,0]=4 12079 B13R1.369 Cc1ccc(c(c1)C)CNCCO 34a_100000737523_100000211926 [0,2,0,0,0,0|2,0,0]=4 12080 B13R1.369 Cc1ccc(c(c1)C)CNCCO 34a_100016990907_100011219618 [0,2,0,0,0,0|2,0,0]=4 12081 B13R1.369 Cc1ccc(c(c1)C)COCCBr 34a_100000211926_100011219618 [0,2,0,0,0,0|2,0,0]=4 12082 B13R1.369 Cc1ccc(c(c1)C)COCCF 34a_100011215341_100011217306 [0,2,0,0,0,0|2,0,0]=4 12083 B13R1.369 Cc1ccc(c(c1)C)COCCF 7a_100011215341_100011217306 [0,2,0,0,0,0|2,0,0]=4 12084 B13R1.369 Cc1ccc(c(c1)C)COCCN 34a_100000210304_100011219618 [0,2,0,0,0,0|2,0,0]=4 12085 B13R1.369 Cc1ccc(c(c1)C)COCCO 34a_100011215341_100000211926 [0,2,0,0,0,0|1,0,0]=3 12086 B13R1.369 Cc1ccc(c(c1)C)COCCO 7a_100011215341_100000211926 [0,2,0,0,0,0|1,0,0]=3 12087 B13R1.369 Cc1ccc(c(c1)C)CSCCO 62a_100000211926_100011219618 [0,2,0,0,0,0|1,1,0]=4 12088 B13R1.369 Cc1ccc(c(c1)C)CSCCO 62a_100011219618_100000211926 [0,2,0,0,0,0|1,1,0]=4 12089 B13R1.369 Cc1ccc(c(c1)C)NCCCO 34a_100000736561_100000230001 [0,2,0,0,0,0|2,0,0]=4 12090 B13R1.369 Cc1ccc(c(c1)C)NCCCO 7a_100000736561_100011215043 [0,2,0,0,0,0|2,0,0]=4 12091 B13R1.369 Cc1ccc(c(c1)C)OCCC#N 7a_100000211776_100000184422 [0,2,0,0,0,0|2,0,0]=4 12092 B13R1.369 Cc1ccc(c(c1)C)OCCCF 34a_100000211776_100011934791 [0,2,0,0,0,0|2,0,0]=4 12093 B13R1.369 Cc1ccc(c(c1)C)OCCCF 7a_100000211776_100011934791 [0,2,0,0,0,0|2,0,0]=4 12094 B13R1.369 Cc1ccc(c(c1)C)OCCCO 34a_100000211776_100000230001 [0,2,0,0,0,0|1,0,0]=3 12095 B13R1.369 Cc1ccc(c(c1)C)OCCCO 7a_100000211776_100011215043 [0,2,0,0,0,0|1,0,0]=3 12096 B13R1.369 Cc1ccc(c(c1)C)OCCS[13CH3] 62a_100011210784_200025704644 [0,2,0,0,0,0|1,1,0]=4 12097 B13R1.369 Cc1ccc(c(c1)C)OCCS[13CH3] 62a_200025704644_100011210784 [0,2,0,0,0,0|1,1,0]=4 12098 B13R1.369 Cc1ccc(c(c1)C)SCCCO 62a_100011215043_100011217332 [0,2,0,0,0,0|1,1,0]=4 12099 B13R1.369 Cc1ccc(c(c1)C)SCCCO 62a_100011217332_100011215043 [0,2,0,0,0,0|1,1,0]=4 12100 B13R1.369 Cc1ccc(c(c1)Cl)CNCCO 207a_100000210304_100011935181 [0,2,0,0,0,0|2,0,0]=4 12101 B13R1.369 Cc1ccc(c(c1)Cl)CNCCO 2230a_100016997473_100012349684 [0,2,0,0,0,0|2,0,0]=4 12102 B13R1.369 Cc1ccc(c(c1)Cl)CNCCO 270004a_100000210304_100011935181 [0,2,0,0,0,0|2,0,0]=4 12103 B13R1.369 Cc1ccc(c(c1)Cl)CNCCO 34a_100011997539_100000211926 [0,2,0,0,0,0|2,0,0]=4 12104 B13R1.369 Cc1ccc(c(c1)Cl)CNCCO 34a_100016990907_100012349684 [0,2,0,0,0,0|2,0,0]=4 12105 B13R1.369 Cc1ccc(c(c1)Cl)COCCBr 34a_100000211926_100012349684 [0,2,0,0,0,0|2,0,0]=4 12106 B13R1.369 Cc1ccc(c(c1)Cl)COCCF 34a_100000720314_100011217306 [0,2,0,0,0,0|2,0,0]=4 12107 B13R1.369 Cc1ccc(c(c1)Cl)COCCF 7a_100000720314_100011217306 [0,2,0,0,0,0|2,0,0]=4 12108 B13R1.369 Cc1ccc(c(c1)Cl)COCCN 34a_100000210304_100012349684 [0,2,0,0,0,0|2,0,0]=4 12109 B13R1.369 Cc1ccc(c(c1)Cl)COCCO 34a_100000720314_100000211926 [0,2,0,0,0,0|1,0,0]=3 12110 B13R1.369 Cc1ccc(c(c1)Cl)COCCO 7a_100000720314_100000211926 [0,2,0,0,0,0|1,0,0]=3 12111 B13R1.369 Cc1ccc(c(c1)Cl)CSCCO 62a_100000211926_100012349684 [0,2,0,0,0,0|1,1,0]=4 12112 B13R1.369 Cc1ccc(c(c1)Cl)CSCCO 62a_100012349684_100000211926 [0,2,0,0,0,0|1,1,0]=4 12113 B13R1.369 Cc1ccc(c(c1)Cl)NCCCO 34a_100000210522_100000230001 [0,2,0,0,0,0|2,0,0]=4 12114 B13R1.369 Cc1ccc(c(c1)Cl)OCCC#N 7a_100000749699_100000184422 [0,2,0,0,0,0|2,0,0]=4 12115 B13R1.369 Cc1ccc(c(c1)Cl)OCCCF 34a_100000749699_100011934791 [0,2,0,0,0,0|2,0,0]=4 12116 B13R1.369 Cc1ccc(c(c1)Cl)OCCCF 7a_100000749699_100011934791 [0,2,0,0,0,0|2,0,0]=4 12117 B13R1.369 Cc1ccc(c(c1)Cl)OCCCO 34a_100000749699_100000230001 [0,2,0,0,0,0|1,0,0]=3 12118 B13R1.369 Cc1ccc(c(c1)Cl)OCCCO 7a_100000749699_100011215043 [0,2,0,0,0,0|1,0,0]=3 12119 B13R1.369 Cc1ccc(c(c1)Cl)SCCCO 62a_100011215043_100011263221 [0,2,0,0,0,0|1,1,0]=4 12120 B13R1.369 Cc1ccc(c(c1)Cl)SCCCO 62a_100011263221_100011215043 [0,2,0,0,0,0|1,1,0]=4 12121 B13R1.369 Cc1ccc(c(c1)F)CNCCO 207a_100000210304_100011217368 [0,2,0,0,0,0|2,0,0]=4 12122 B13R1.369 Cc1ccc(c(c1)F)CNCCO 2230a_100016997473_100011217900 [0,2,0,0,0,0|2,0,0]=4 12123 B13R1.369 Cc1ccc(c(c1)F)CNCCO 270004a_100000210304_100011217368 [0,2,0,0,0,0|2,0,0]=4 12124 B13R1.369 Cc1ccc(c(c1)F)CNCCO 34a_100016990907_100012002367 [0,2,0,0,0,0|2,0,0]=4 12125 B13R1.369 Cc1ccc(c(c1)F)CNCCO 34a_100102887089_100000211926 [0,2,0,0,0,0|2,0,0]=4 12126 B13R1.369 Cc1ccc(c(c1)F)COCCBr 34a_100000211926_100012002367 [0,2,0,0,0,0|2,0,0]=4 12127 B13R1.369 Cc1ccc(c(c1)F)COCCF 34a_100011216587_100011217306 [0,2,0,0,0,0|2,0,0]=4 12128 B13R1.369 Cc1ccc(c(c1)F)COCCF 7a_100011216587_100011217306 [0,2,0,0,0,0|2,0,0]=4 12129 B13R1.369 Cc1ccc(c(c1)F)COCCN 34a_100000210304_100012002367 [0,2,0,0,0,0|2,0,0]=4 12130 B13R1.369 Cc1ccc(c(c1)F)COCCO 34a_100011216587_100000211926 [0,2,0,0,0,0|1,0,0]=3 12131 B13R1.369 Cc1ccc(c(c1)F)COCCO 7a_100011216587_100000211926 [0,2,0,0,0,0|1,0,0]=3 12132 B13R1.369 Cc1ccc(c(c1)F)CSCCO 62a_100000211926_100011217900 [0,2,0,0,0,0|1,1,0]=4 12133 B13R1.369 Cc1ccc(c(c1)F)CSCCO 62a_100011217900_100000211926 [0,2,0,0,0,0|1,1,0]=4 12134 B13R1.369 Cc1ccc(c(c1)F)NCCCO 34a_100000211023_100000230001 [0,2,0,0,0,0|2,0,0]=4 12135 B13R1.369 Cc1ccc(c(c1)F)OCCC#N 7a_100011216688_100000184422 [0,2,0,0,0,0|2,0,0]=4 12136 B13R1.369 Cc1ccc(c(c1)F)OCCCF 34a_100011216688_100011934791 [0,2,0,0,0,0|2,0,0]=4 12137 B13R1.369 Cc1ccc(c(c1)F)OCCCF 7a_100011216688_100011934791 [0,2,0,0,0,0|2,0,0]=4 12138 B13R1.369 Cc1ccc(c(c1)F)OCCCO 34a_100011216688_100000230001 [0,2,0,0,0,0|1,0,0]=3 12139 B13R1.369 Cc1ccc(c(c1)F)OCCCO 7a_100011216688_100011215043 [0,2,0,0,0,0|1,0,0]=3 12140 B13R1.369 Cc1ccc(c(c1)F)SCCCO 62a_100011215043_100011216119 [0,2,0,0,0,0|1,1,0]=4 12141 B13R1.369 Cc1ccc(c(c1)F)SCCCO 62a_100011216119_100011215043 [0,2,0,0,0,0|1,1,0]=4 12142 B13R1.369 Cc1ccc(c(c1)I)CNCCO 207a_100000210304_100010150104 [0,2,0,0,0,0|2,0,0]=4 12143 B13R1.369 Cc1ccc(c(c1)I)CNCCO 270004a_100000210304_100010150104 [0,2,0,0,0,0|2,0,0]=4 12144 B13R1.369 Cc1ccc(c(c1)I)NCCCO 34a_100011356834_100000230001 [0,2,0,0,0,0|2,0,0]=4 12145 B13R1.369 Cc1ccc(c(c1)I)OCCC#N 7a_100000765521_100000184422 [0,2,0,0,0,0|2,0,0]=4 12146 B13R1.369 Cc1ccc(c(c1)I)OCCCF 34a_100000765521_100011934791 [0,2,0,0,0,0|2,0,0]=4 12147 B13R1.369 Cc1ccc(c(c1)I)OCCCF 7a_100000765521_100011934791 [0,2,0,0,0,0|2,0,0]=4 12148 B13R1.369 Cc1ccc(c(c1)I)OCCCO 34a_100000765521_100000230001 [0,2,0,0,0,0|1,0,0]=3 12149 B13R1.369 Cc1ccc(c(c1)I)OCCCO 7a_100000765521_100011215043 [0,2,0,0,0,0|1,0,0]=3 12150 B13R1.369 Cc1ccc(c(c1)N)COCCF 34a_100000087799_100011217306 [0,2,0,0,0,0|2,0,0]=4 12151 B13R1.369 Cc1ccc(c(c1)N)COCCF 7a_100000087799_100011217306 [0,2,0,0,0,0|2,0,0]=4 12152 B13R1.369 Cc1ccc(c(c1)N)COCCO 34a_100000087799_100000211926 [0,2,0,0,0,0|1,0,0]=3 12153 B13R1.369 Cc1ccc(c(c1)N)COCCO 7a_100000087799_100000211926 [0,2,0,0,0,0|1,0,0]=3 12154 B13R1.369 Cc1ccc(c(c1)N)OCCC#N 7a_100011215204_100000184422 [0,2,0,0,0,0|2,0,0]=4 12155 B13R1.369 Cc1ccc(c(c1)N)OCCCF 34a_100011215204_100011934791 [0,2,0,0,0,0|2,0,0]=4 12156 B13R1.369 Cc1ccc(c(c1)N)OCCCF 7a_100011215204_100011934791 [0,2,0,0,0,0|2,0,0]=4 12157 B13R1.369 Cc1ccc(c(c1)N)OCCCO 34a_100011215204_100000230001 [0,2,0,0,0,0|1,0,0]=3 12158 B13R1.369 Cc1ccc(c(c1)N)OCCCO 7a_100011215204_100011215043 [0,2,0,0,0,0|1,0,0]=3 12159 B13R1.369 Cc1ccc(c(c1)N)SCCCO 62a_100011215043_100011216686 [0,2,0,0,0,0|1,1,0]=4 12160 B13R1.369 Cc1ccc(c(c1)N)SCCCO 62a_100011216686_100011215043 [0,2,0,0,0,0|1,1,0]=4 12161 B13R1.369 Cc1ccc(c(c1)O)NCCCO 34a_100000211527_100000230001 [0,2,0,0,0,0|2,0,0]=4 12162 B13R1.369 Cc1ccc(c(c1)O)SCCCO 62a_100011215043_100012002257 [0,2,0,0,0,0|1,1,0]=4 12163 B13R1.369 Cc1ccc(c(c1)O)SCCCO 62a_100012002257_100011215043 [0,2,0,0,0,0|1,1,0]=4 12164 B13R1.369 Cc1ccc(c(n1)Br)OCCCO 34a_100000702858_100000230001 [0,2,0,0,0,0|2,0,0]=4 12165 B13R1.369 Cc1ccc(c(n1)Br)OCCCO 7a_100000702858_100011215043 [0,2,0,0,0,0|2,0,0]=4 12166 B13R1.369 Cc1ccc(c(n1)C)COCCO 34a_100011756430_100000211926 [0,2,0,0,0,0|2,0,0]=4 12167 B13R1.369 Cc1ccc(c(n1)C)COCCO 7a_100011756430_100000211926 [0,2,0,0,0,0|2,0,0]=4 12168 B13R1.369 Cc1ccc(c(n1)C)OCCCO 34a_100011218912_100000230001 [0,2,0,0,0,0|2,0,0]=4 12169 B13R1.369 Cc1ccc(c(n1)C)OCCCO 7a_100011218912_100011215043 [0,2,0,0,0,0|2,0,0]=4 12170 B13R1.369 Cc1ccc(c(n1)Cl)COCCO 34a_102495338573_100000211926 [0,2,0,0,0,0|2,0,0]=4 12171 B13R1.369 Cc1ccc(c(n1)Cl)COCCO 7a_102495338573_100000211926 [0,2,0,0,0,0|2,0,0]=4 12172 B13R1.369 Cc1ccc(c(n1)Cl)OCCCO 34a_100000086286_100000230001 [0,2,0,0,0,0|2,0,0]=4 12173 B13R1.369 Cc1ccc(c(n1)Cl)OCCCO 7a_100000086286_100011215043 [0,2,0,0,0,0|2,0,0]=4 12174 B13R1.369 Cc1ccc(c(n1)F)OCCCO 34a_100000079963_100000230001 [0,2,0,0,0,0|2,0,0]=4 12175 B13R1.369 Cc1ccc(c(n1)F)OCCCO 7a_100000079963_100011215043 [0,2,0,0,0,0|2,0,0]=4 12176 B13R1.369 Cc1ccc(c(n1)I)OCCCO 34a_100000023897_100000230001 [0,2,0,0,0,0|2,0,0]=4 12177 B13R1.369 Cc1ccc(c(n1)I)OCCCO 7a_100000023897_100011215043 [0,2,0,0,0,0|2,0,0]=4 12178 B13R1.369 Cc1ccc(c(n1)N)OCCCO 34a_100000694039_100000230001 [0,2,0,0,0,0|2,0,0]=4 12179 B13R1.369 Cc1ccc(c(n1)N)OCCCO 7a_100000694039_100011215043 [0,2,0,0,0,0|2,0,0]=4 12180 B13R1.369 Cc1cnc(c(c1)Br)OCCCO 34a_100000719714_100000230001 [0,2,0,0,0,0|2,0,0]=4 12181 B13R1.369 Cc1cnc(c(c1)C)COCCO 34a_100012000483_100000211926 [0,2,0,0,0,0|2,0,0]=4 12182 B13R1.369 Cc1cnc(c(c1)C)COCCO 7a_100012000483_100000211926 [0,2,0,0,0,0|2,0,0]=4 12183 B13R1.369 Cc1cnc(c(c1)N)OCCCO 34a_100012000488_100000230001 [0,2,0,0,0,0|2,0,0]=4 12184 B13R1.369 Cc1nc(ccc1COCCO)F 34a_100000081978_100000211926 [0,2,0,0,0,0|1,1,0]=4 12185 B13R1.369 Cc1nc(ccc1COCCO)F 7a_100000081978_100000211926 [0,2,0,0,0,0|1,1,0]=4 12186 B13R1.369 Cc1nc(ccc1OCCC#N)Cl 7a_100012184626_100000184422 [0,2,0,0,0,0|2,0,0]=4 12187 B13R1.369 Cc1nc(ccc1OCCCF)Cl 34a_100012184626_100011934791 [0,2,0,0,0,0|2,0,0]=4 12188 B13R1.369 Cc1nc(ccc1OCCCF)Cl 7a_100012184626_100011934791 [0,2,0,0,0,0|2,0,0]=4 12189 B13R1.369 Cc1nc(ccc1OCCCO)Br 34a_100012002022_100000230001 [0,2,0,0,0,0|1,1,0]=4 12190 B13R1.369 Cc1nc(ccc1OCCCO)Br 7a_100012002022_100011215043 [0,2,0,0,0,0|1,1,0]=4 12191 B13R1.369 Cc1nc(ccc1OCCCO)Cl 34a_100012184626_100000230001 [0,2,0,0,0,0|1,0,0]=3 12192 B13R1.369 Cc1nc(ccc1OCCCO)Cl 7a_100012184626_100011215043 [0,2,0,0,0,0|1,0,0]=3 12193 B13R1.369 Cc1nc(ccc1OCCCO)F 34a_100009881036_100000230001 [0,2,0,0,0,0|1,1,0]=4 12194 B13R1.369 Cc1nc(ccc1OCCCO)F 7a_100009881036_100011215043 [0,2,0,0,0,0|1,1,0]=4 12195 B13R1.369 Cc1nc(ccc1OCCCO)I 34a_100010233687_100000230001 [0,2,0,0,0,0|1,1,0]=4 12196 B13R1.369 Cc1nc(ccc1OCCCO)I 7a_100010233687_100011215043 [0,2,0,0,0,0|1,1,0]=4 12197 B13R1.369 Cc1nc(ccc1SCCCO)Cl 62a_100000062408_100011215043 [0,2,0,0,0,0|1,1,0]=4 12198 B13R1.369 Cc1nc(ccc1SCCCO)Cl 62a_100011215043_100000062408 [0,2,0,0,0,0|1,1,0]=4 12199 B13R1.369 Clc1cc(c(cn1)COCCBr)Cl 34a_100000211926_100011997056 [0,2,0,0,0,0|2,0,0]=4 12200 B13R1.369 Clc1cc(ccc1COCCBr)Br 34a_100000211926_100011740631 [0,2,0,0,0,0|1,1,0]=4 12201 B13R1.369 Clc1ccc(c(c1)Br)COCCBr 34a_100000211926_100000755608 [0,2,0,0,0,0|1,0,0]=3 12202 B13R1.369 Clc1ccc(c(c1)Cl)COCCBr 34a_100000211926_100000188473 [0,2,0,0,0,0|1,0,0]=3 12203 B13R1.369 Clc1ccc(c(c1)I)COCCBr 34a_100000211926_100010254388 [0,2,0,0,0,0|1,0,0]=3 12204 B13R1.369 Clc1ccc(c(n1)Cl)COCCBr 34a_100000211926_100000722033 [0,2,0,0,0,0|2,0,0]=4 12205 B13R1.369 FCCCNc1ccc(cc1Br)Cl 34a_100000752454_100011934791 [0,2,0,0,0,0|2,0,0]=4 12206 B13R1.369 FCCCNc1ccc(cc1Cl)Cl 34a_100000185861_100011934791 [0,2,0,0,0,0|2,0,0]=4 12207 B13R1.369 FCCCNc1ccc(cc1F)Cl 34a_100000211020_100011934791 [0,2,0,0,0,0|2,0,0]=4 12208 B13R1.369 FCCCNc1ccc(cc1I)Cl 34a_100000761889_100011934791 [0,2,0,0,0,0|2,0,0]=4 12209 B13R1.369 FCCCOc1ccc(cc1Br)Br 34a_100000188717_100011934791 [0,2,0,0,0,0|1,1,0]=4 12210 B13R1.369 FCCCOc1ccc(cc1Br)Br 7a_100000188717_100011934791 [0,2,0,0,0,0|1,1,0]=4 12211 B13R1.369 FCCCOc1ccc(cc1Br)Cl 34a_100000211998_100011934791 [0,2,0,0,0,0|1,0,0]=3 12212 B13R1.369 FCCCOc1ccc(cc1Br)Cl 7a_100000211998_100011934791 [0,2,0,0,0,0|1,0,0]=3 12213 B13R1.369 FCCCOc1ccc(cc1Br)F 34a_100000211999_100011934791 [0,2,0,0,0,0|1,1,0]=4 12214 B13R1.369 FCCCOc1ccc(cc1Br)F 7a_100000211999_100011934791 [0,2,0,0,0,0|1,1,0]=4 12215 B13R1.369 FCCCOc1ccc(cc1Br)I 34a_100012361655_100011934791 [0,2,0,0,0,0|1,1,0]=4 12216 B13R1.369 FCCCOc1ccc(cc1Br)I 7a_100012361655_100011934791 [0,2,0,0,0,0|1,1,0]=4 12217 B13R1.369 FCCCOc1ccc(cc1Cl)Br 34a_100000186472_100011934791 [0,2,0,0,0,0|1,1,0]=4 12218 B13R1.369 FCCCOc1ccc(cc1Cl)Br 7a_100000186472_100011934791 [0,2,0,0,0,0|1,1,0]=4 12219 B13R1.369 FCCCOc1ccc(cc1Cl)Cl 34a_100015191787_100011934791 [0,2,0,0,0,0|1,0,0]=3 12220 B13R1.369 FCCCOc1ccc(cc1Cl)Cl 7a_100015191787_100011934791 [0,2,0,0,0,0|1,0,0]=3 12221 B13R1.369 FCCCOc1ccc(cc1Cl)F 34a_100000212004_100011934791 [0,2,0,0,0,0|1,1,0]=4 12222 B13R1.369 FCCCOc1ccc(cc1Cl)F 7a_100000212004_100011934791 [0,2,0,0,0,0|1,1,0]=4 12223 B13R1.369 FCCCOc1ccc(cc1Cl)I 34a_100012360047_100011934791 [0,2,0,0,0,0|1,1,0]=4 12224 B13R1.369 FCCCOc1ccc(cc1Cl)I 7a_100012360047_100011934791 [0,2,0,0,0,0|1,1,0]=4 12225 B13R1.369 FCCCOc1ccc(cc1F)Br 34a_100000185481_100011934791 [0,2,0,0,0,0|1,1,0]=4 12226 B13R1.369 FCCCOc1ccc(cc1F)Br 7a_100000185481_100011934791 [0,2,0,0,0,0|1,1,0]=4 12227 B13R1.369 FCCCOc1ccc(cc1F)Cl 34a_100000230166_100011934791 [0,2,0,0,0,0|1,0,0]=3 12228 B13R1.369 FCCCOc1ccc(cc1F)Cl 7a_100000230166_100011934791 [0,2,0,0,0,0|1,0,0]=3 12229 B13R1.369 FCCCOc1ccc(cc1F)F 34a_100000230127_100011934791 [0,2,0,0,0,0|1,1,0]=4 12230 B13R1.369 FCCCOc1ccc(cc1F)F 7a_100000230127_100011934791 [0,2,0,0,0,0|1,1,0]=4 12231 B13R1.369 FCCCOc1ccc(cc1F)I 34a_100011356965_100011934791 [0,2,0,0,0,0|1,1,0]=4 12232 B13R1.369 FCCCOc1ccc(cc1F)I 7a_100011356965_100011934791 [0,2,0,0,0,0|1,1,0]=4 12233 B13R1.369 FCCCOc1ccc(cc1I)Br 34a_100012355227_100011934791 [0,2,0,0,0,0|1,1,0]=4 12234 B13R1.369 FCCCOc1ccc(cc1I)Br 7a_100012355227_100011934791 [0,2,0,0,0,0|1,1,0]=4 12235 B13R1.369 FCCCOc1ccc(cc1I)Cl 34a_100011356953_100011934791 [0,2,0,0,0,0|1,0,0]=3 12236 B13R1.369 FCCCOc1ccc(cc1I)Cl 7a_100011356953_100011934791 [0,2,0,0,0,0|1,0,0]=3 12237 B13R1.369 FCCCOc1ccc(cc1I)F 34a_100012355409_100011934791 [0,2,0,0,0,0|1,1,0]=4 12238 B13R1.369 FCCCOc1ccc(cc1I)F 7a_100012355409_100011934791 [0,2,0,0,0,0|1,1,0]=4 12239 B13R1.369 FCCCOc1ccc(cc1I)I 7a_100010001573_100011934791 [0,2,0,0,0,0|1,1,0]=4 12240 B13R1.369 FCCCOc1ccc(nc1Br)Cl 34a_100010219353_100011934791 [0,2,0,0,0,0|2,0,0]=4 12241 B13R1.369 FCCCOc1ccc(nc1Br)Cl 7a_100010219353_100011934791 [0,2,0,0,0,0|2,0,0]=4 12242 B13R1.369 FCCCOc1ccc(nc1Cl)Cl 34a_100000101165_100011934791 [0,2,0,0,0,0|2,0,0]=4 12243 B13R1.369 FCCCOc1ccc(nc1Cl)Cl 7a_100000101165_100011934791 [0,2,0,0,0,0|2,0,0]=4 12244 B13R1.369 FCCCOc1ccc(nc1F)Cl 34a_100009880201_100011934791 [0,2,0,0,0,0|2,0,0]=4 12245 B13R1.369 FCCCOc1ccc(nc1F)Cl 7a_100009880201_100011934791 [0,2,0,0,0,0|2,0,0]=4 12246 B13R1.369 FCCCOc1ccc(nc1I)Cl 34a_100000696390_100011934791 [0,2,0,0,0,0|2,0,0]=4 12247 B13R1.369 FCCCOc1ccc(nc1I)Cl 7a_100000696390_100011934791 [0,2,0,0,0,0|2,0,0]=4 12248 B13R1.369 FCCCOc1cnc(cc1Cl)Cl 34a_100009868576_100011934791 [0,2,0,0,0,0|2,0,0]=4 12249 B13R1.369 FCCCOc1cnc(cc1Cl)Cl 7a_100009868576_100011934791 [0,2,0,0,0,0|2,0,0]=4 12250 B13R1.369 FCCCOc1cnc(cc1I)Cl 34a_100000698892_100011934791 [0,2,0,0,0,0|2,0,0]=4 12251 B13R1.369 FCCCOc1cnc(cc1I)Cl 7a_100000698892_100011934791 [0,2,0,0,0,0|2,0,0]=4 12252 B13R1.369 FCCCOc1ncc(cc1F)Cl 34a_100011998252_100011934791 [0,2,0,0,0,0|2,0,0]=4 12253 B13R1.369 FCCCSc1ccc(cc1Br)Cl 62a_100011219703_100011934791 [0,2,0,0,0,0|1,1,0]=4 12254 B13R1.369 FCCCSc1ccc(cc1Br)Cl 62a_100011934791_100011219703 [0,2,0,0,0,0|1,1,0]=4 12255 B13R1.369 FCCCSc1ccc(cc1Cl)Cl 62a_100000699841_100011934791 [0,2,0,0,0,0|1,1,0]=4 12256 B13R1.369 FCCCSc1ccc(cc1Cl)Cl 62a_100011934791_100000699841 [0,2,0,0,0,0|1,1,0]=4 12257 B13R1.369 FCCCSc1ccc(cc1F)Cl 62a_100011216042_100011934791 [0,2,0,0,0,0|1,1,0]=4 12258 B13R1.369 FCCCSc1ccc(cc1F)Cl 62a_100011934791_100011216042 [0,2,0,0,0,0|1,1,0]=4 12259 B13R1.369 FCCNCc1ccc(cc1Br)Cl 34a_100000724931_100000755608 [0,2,0,0,0,0|2,0,0]=4 12260 B13R1.369 FCCNCc1ccc(cc1Br)Cl 34a_100102692131_100011217306 [0,2,0,0,0,0|2,0,0]=4 12261 B13R1.369 FCCNCc1ccc(cc1Cl)Cl 34a_100000174880_100011217306 [0,2,0,0,0,0|2,0,0]=4 12262 B13R1.369 FCCNCc1ccc(cc1Cl)Cl 34a_100000724931_100000188473 [0,2,0,0,0,0|2,0,0]=4 12263 B13R1.369 FCCNCc1ccc(cc1F)Cl 34a_100000708496_100011217306 [0,2,0,0,0,0|2,0,0]=4 12264 B13R1.369 FCCNCc1ccc(cc1F)Cl 34a_100000724931_100000709361 [0,2,0,0,0,0|2,0,0]=4 12265 B13R1.369 FCCNCc1ccc(cc1I)Cl 34a_100000724931_100010254388 [0,2,0,0,0,0|2,0,0]=4 12266 B13R1.369 FCCOCc1ccc(cc1Br)Br 34a_100012357508_100011217306 [0,2,0,0,0,0|1,1,0]=4 12267 B13R1.369 FCCOCc1ccc(cc1Br)Br 7a_100012357508_100011217306 [0,2,0,0,0,0|1,1,0]=4 12268 B13R1.369 FCCOCc1ccc(cc1Br)Cl 34a_100000707881_100011217306 [0,2,0,0,0,0|1,0,0]=3 12269 B13R1.369 FCCOCc1ccc(cc1Br)Cl 7a_100000707881_100011217306 [0,2,0,0,0,0|1,0,0]=3 12270 B13R1.369 FCCOCc1ccc(cc1Br)F 34a_100000744086_100011217306 [0,2,0,0,0,0|1,1,0]=4 12271 B13R1.369 FCCOCc1ccc(cc1Br)F 7a_100000744086_100011217306 [0,2,0,0,0,0|1,1,0]=4 12272 B13R1.369 FCCOCc1ccc(cc1Br)I 7a_100010240206_100011217306 [0,2,0,0,0,0|1,1,0]=4 12273 B13R1.369 FCCOCc1ccc(cc1Cl)Br 34a_100000756401_100011217306 [0,2,0,0,0,0|1,1,0]=4 12274 B13R1.369 FCCOCc1ccc(cc1Cl)Br 7a_100000756401_100011217306 [0,2,0,0,0,0|1,1,0]=4 12275 B13R1.369 FCCOCc1ccc(cc1Cl)Cl 34a_100000215721_100011217306 [0,2,0,0,0,0|1,0,0]=3 12276 B13R1.369 FCCOCc1ccc(cc1Cl)Cl 7a_100000215721_100011217306 [0,2,0,0,0,0|1,0,0]=3 12277 B13R1.369 FCCOCc1ccc(cc1Cl)F 34a_100011219954_100011217306 [0,2,0,0,0,0|1,1,0]=4 12278 B13R1.369 FCCOCc1ccc(cc1Cl)F 7a_100011219954_100011217306 [0,2,0,0,0,0|1,1,0]=4 12279 B13R1.369 FCCOCc1ccc(cc1F)Br 34a_100011191541_100011217306 [0,2,0,0,0,0|1,1,0]=4 12280 B13R1.369 FCCOCc1ccc(cc1F)Br 7a_100011191541_100011217306 [0,2,0,0,0,0|1,1,0]=4 12281 B13R1.369 FCCOCc1ccc(cc1F)Cl 34a_100011217562_100011217306 [0,2,0,0,0,0|1,0,0]=3 12282 B13R1.369 FCCOCc1ccc(cc1F)Cl 7a_100011217562_100011217306 [0,2,0,0,0,0|1,0,0]=3 12283 B13R1.369 FCCOCc1ccc(cc1F)F 34a_100011215441_100011217306 [0,2,0,0,0,0|1,1,0]=4 12284 B13R1.369 FCCOCc1ccc(cc1F)F 7a_100011215441_100011217306 [0,2,0,0,0,0|1,1,0]=4 12285 B13R1.369 FCCOCc1ccc(cc1F)I 34a_200010202041_100011217306 [0,2,0,0,0,0|1,1,0]=4 12286 B13R1.369 FCCOCc1ccc(cc1F)I 7a_200010202041_100011217306 [0,2,0,0,0,0|1,1,0]=4 12287 B13R1.369 FCCOCc1ccc(cc1I)Br 7a_100010146605_100011217306 [0,2,0,0,0,0|1,1,0]=4 12288 B13R1.369 FCCOCc1ccc(cc1I)Cl 34a_100000722340_100011217306 [0,2,0,0,0,0|1,0,0]=3 12289 B13R1.369 FCCOCc1ccc(cc1I)Cl 7a_100000722340_100011217306 [0,2,0,0,0,0|1,0,0]=3 12290 B13R1.369 FCCOCc1ccc(cc1I)F 34a_100011356828_100011217306 [0,2,0,0,0,0|1,1,0]=4 12291 B13R1.369 FCCOCc1ccc(cc1I)F 7a_100011356828_100011217306 [0,2,0,0,0,0|1,1,0]=4 12292 B13R1.369 FCCOCc1ccc(nc1Cl)Cl 34a_100000720492_100011217306 [0,2,0,0,0,0|2,0,0]=4 12293 B13R1.369 FCCOCc1ccc(nc1Cl)Cl 7a_100000720492_100011217306 [0,2,0,0,0,0|2,0,0]=4 12294 B13R1.369 FCCOCc1ccc(nc1F)Cl 34a_100009870654_100011217306 [0,2,0,0,0,0|2,0,0]=4 12295 B13R1.369 FCCOCc1ccc(nc1F)Cl 7a_100009870654_100011217306 [0,2,0,0,0,0|2,0,0]=4 12296 B13R1.369 FCCOCc1cnc(cc1Cl)Cl 34a_100000702863_100011217306 [0,2,0,0,0,0|2,0,0]=4 12297 B13R1.369 FCCOCc1cnc(cc1Cl)Cl 7a_100000702863_100011217306 [0,2,0,0,0,0|2,0,0]=4 12298 B13R1.369 FCCOCc1ncc(cc1Br)Cl 34a_100010065237_100011217306 [0,2,0,0,0,0|2,0,0]=4 12299 B13R1.369 FCCOCc1ncc(cc1Br)Cl 7a_100010065237_100011217306 [0,2,0,0,0,0|2,0,0]=4 12300 B13R1.369 FCCOCc1ncc(cc1Cl)Cl 34a_100103146734_100011217306 [0,2,0,0,0,0|2,0,0]=4 12301 B13R1.369 FCCOCc1ncc(cc1Cl)Cl 7a_100103146734_100011217306 [0,2,0,0,0,0|2,0,0]=4 12302 B13R1.369 FCCOCc1ncc(cc1F)Cl 34a_100009885607_100011217306 [0,2,0,0,0,0|2,0,0]=4 12303 B13R1.369 FCCOCc1ncc(cc1F)Cl 7a_100009885607_100011217306 [0,2,0,0,0,0|2,0,0]=4 12304 B13R1.369 FCCSCc1ccc(cc1Br)Cl 62a_100000755608_100011217306 [0,2,0,0,0,0|1,1,0]=4 12305 B13R1.369 FCCSCc1ccc(cc1Br)Cl 62a_100011217306_100000755608 [0,2,0,0,0,0|1,1,0]=4 12306 B13R1.369 FCCSCc1ccc(cc1Cl)Cl 62a_100000188473_100011217306 [0,2,0,0,0,0|1,1,0]=4 12307 B13R1.369 FCCSCc1ccc(cc1Cl)Cl 62a_100011217306_100000188473 [0,2,0,0,0,0|1,1,0]=4 12308 B13R1.369 FCCSCc1ccc(cc1F)Cl 62a_100000709361_100011217306 [0,2,0,0,0,0|1,1,0]=4 12309 B13R1.369 FCCSCc1ccc(cc1F)Cl 62a_100011217306_100000709361 [0,2,0,0,0,0|1,1,0]=4 12310 B13R1.369 FCCSCc1ccc(cc1I)Cl 62a_100010254388_100011217306 [0,2,0,0,0,0|1,1,0]=4 12311 B13R1.369 FCCSCc1ccc(cc1I)Cl 62a_100011217306_100010254388 [0,2,0,0,0,0|1,1,0]=4 12312 B13R1.369 FCNCCc1ccc(cc1Cl)Cl 34a_100000210994_100015361967 [0,2,0,0,0,0|2,0,0]=4 12313 B13R1.369 FCNCCc1ccc(cc1F)Cl 34a_103496529009_100015361967 [0,2,0,0,0,0|2,0,0]=4 12314 B13R1.369 FCOCCc1ccc(cc1Cl)Cl 34a_100011215701_100015361967 [0,2,0,0,0,0|2,0,0]=4 12315 B13R1.369 FCOCCc1ccc(cc1Cl)Cl 7a_100011215701_100015361967 [0,2,0,0,0,0|2,0,0]=4 12316 B13R1.369 FCSCCc1ccc(cc1Br)Cl 62a_100015361967_200012945151 [0,2,0,0,0,0|2,0,0]=4 12317 B13R1.369 FCSCCc1ccc(cc1Br)Cl 62a_200012945151_100015361967 [0,2,0,0,0,0|2,0,0]=4 12318 B13R1.369 FCSCCc1ccc(cc1Cl)Cl 62a_100015361967_200012161198 [0,2,0,0,0,0|2,0,0]=4 12319 B13R1.369 FCSCCc1ccc(cc1Cl)Cl 62a_200012161198_100015361967 [0,2,0,0,0,0|2,0,0]=4 12320 B13R1.369 Fc1cc(ccc1COCCBr)Br 34a_100000211926_100000211606 [0,2,0,0,0,0|1,1,0]=4 12321 B13R1.369 Fc1cc(ccc1COCCBr)Cl 34a_100000211926_100000709361 [0,2,0,0,0,0|1,0,0]=3 12322 B13R1.369 Fc1cc(ccc1COCCBr)I 34a_100000211926_100010244991 [0,2,0,0,0,0|1,1,0]=4 12323 B13R1.369 Fc1cc(cnc1COCCBr)Cl 34a_100000211926_200009879301 [0,2,0,0,0,0|2,0,0]=4 12324 B13R1.369 Fc1ccc(c(c1)Br)COCCBr 34a_100000211926_100000243222 [0,2,0,0,0,0|1,1,0]=4 12325 B13R1.369 Fc1ccc(c(c1)Cl)COCCBr 34a_100000211926_100011216360 [0,2,0,0,0,0|1,1,0]=4 12326 B13R1.369 Fc1ccc(c(c1)F)COCCBr 34a_100000211926_100000748237 [0,2,0,0,0,0|1,1,0]=4 12327 B13R1.369 Fc1ccc(c(c1)I)COCCBr 34a_100000211926_100012354799 [0,2,0,0,0,0|1,1,0]=4 12328 B13R1.369 N#CCCOc1ccc(cc1Br)Br 7a_100000188717_100000184422 [0,2,0,0,0,0|1,1,0]=4 12329 B13R1.369 N#CCCOc1ccc(cc1Br)Cl 7a_100000211998_100000184422 [0,2,0,0,0,0|1,0,0]=3 12330 B13R1.369 N#CCCOc1ccc(cc1Br)F 7a_100000211999_100000184422 [0,2,0,0,0,0|1,1,0]=4 12331 B13R1.369 N#CCCOc1ccc(cc1Br)I 7a_100012361655_100000184422 [0,2,0,0,0,0|1,1,0]=4 12332 B13R1.369 N#CCCOc1ccc(cc1Br)N 7a_100011534360_100000184422 [0,2,0,0,0,0|2,0,0]=4 12333 B13R1.369 N#CCCOc1ccc(cc1Cl)Br 7a_100000186472_100000184422 [0,2,0,0,0,0|1,1,0]=4 12334 B13R1.369 N#CCCOc1ccc(cc1Cl)Cl 7a_100015191787_100000184422 [0,2,0,0,0,0|1,0,0]=3 12335 B13R1.369 N#CCCOc1ccc(cc1Cl)F 7a_100000212004_100000184422 [0,2,0,0,0,0|1,1,0]=4 12336 B13R1.369 N#CCCOc1ccc(cc1Cl)I 7a_100012360047_100000184422 [0,2,0,0,0,0|1,1,0]=4 12337 B13R1.369 N#CCCOc1ccc(cc1Cl)N 7a_100000744943_100000184422 [0,2,0,0,0,0|2,0,0]=4 12338 B13R1.369 N#CCCOc1ccc(cc1F)Br 7a_100000185481_100000184422 [0,2,0,0,0,0|1,1,0]=4 12339 B13R1.369 N#CCCOc1ccc(cc1F)Cl 7a_100000230166_100000184422 [0,2,0,0,0,0|1,0,0]=3 12340 B13R1.369 N#CCCOc1ccc(cc1F)F 7a_100000230127_100000184422 [0,2,0,0,0,0|1,1,0]=4 12341 B13R1.369 N#CCCOc1ccc(cc1F)I 7a_100011356965_100000184422 [0,2,0,0,0,0|1,1,0]=4 12342 B13R1.369 N#CCCOc1ccc(cc1F)N 7a_100011220035_100000184422 [0,2,0,0,0,0|2,0,0]=4 12343 B13R1.369 N#CCCOc1ccc(cc1I)Br 7a_100012355227_100000184422 [0,2,0,0,0,0|1,1,0]=4 12344 B13R1.369 N#CCCOc1ccc(cc1I)Cl 7a_100011356953_100000184422 [0,2,0,0,0,0|1,0,0]=3 12345 B13R1.369 N#CCCOc1ccc(cc1I)F 7a_100012355409_100000184422 [0,2,0,0,0,0|1,1,0]=4 12346 B13R1.369 N#CCCOc1ccc(cc1I)I 7a_100010001573_100000184422 [0,2,0,0,0,0|1,1,0]=4 12347 B13R1.369 N#CCCOc1ccc(cc1N)Br 7a_100000752626_100000184422 [0,2,0,0,0,0|1,1,0]=4 12348 B13R1.369 N#CCCOc1ccc(cc1N)Cl 7a_100000210500_100000184422 [0,2,0,0,0,0|1,0,0]=3 12349 B13R1.369 N#CCCOc1ccc(cc1N)F 7a_100000759472_100000184422 [0,2,0,0,0,0|1,1,0]=4 12350 B13R1.369 N#CCCOc1ccc(cc1N)I 7a_100000753495_100000184422 [0,2,0,0,0,0|1,1,0]=4 12351 B13R1.369 N#CCCOc1ccc(nc1Br)Cl 7a_100010219353_100000184422 [0,2,0,0,0,0|2,0,0]=4 12352 B13R1.369 N#CCCOc1ccc(nc1Cl)Cl 7a_100000101165_100000184422 [0,2,0,0,0,0|2,0,0]=4 12353 B13R1.369 N#CCCOc1ccc(nc1F)Cl 7a_100009880201_100000184422 [0,2,0,0,0,0|2,0,0]=4 12354 B13R1.369 N#CCCOc1ccc(nc1I)Cl 7a_100000696390_100000184422 [0,2,0,0,0,0|2,0,0]=4 12355 B13R1.369 N#CCCOc1ccc(nc1N)Cl 7a_100000717809_100000184422 [0,2,0,0,0,0|2,0,0]=4 12356 B13R1.369 N#CCCOc1cnc(cc1Cl)Cl 7a_100009868576_100000184422 [0,2,0,0,0,0|2,0,0]=4 12357 B13R1.369 N#CCCOc1cnc(cc1I)Cl 7a_100000698892_100000184422 [0,2,0,0,0,0|2,0,0]=4 12358 B13R1.369 N#CCCSc1ccc(cc1Br)Cl 62a_100011215226_100011219703 [0,2,0,0,0,0|1,1,0]=4 12359 B13R1.369 N#CCCSc1ccc(cc1Br)Cl 62a_100011219703_100011215226 [0,2,0,0,0,0|1,1,0]=4 12360 B13R1.369 N#CCCSc1ccc(cc1Cl)Cl 62a_100000699841_100011215226 [0,2,0,0,0,0|1,1,0]=4 12361 B13R1.369 N#CCCSc1ccc(cc1Cl)Cl 62a_100011215226_100000699841 [0,2,0,0,0,0|1,1,0]=4 12362 B13R1.369 N#CCCSc1ccc(cc1F)Cl 62a_100011215226_100011216042 [0,2,0,0,0,0|1,1,0]=4 12363 B13R1.369 N#CCCSc1ccc(cc1F)Cl 62a_100011216042_100011215226 [0,2,0,0,0,0|1,1,0]=4 12364 B13R1.369 N#CCCSc1ccc(cc1N)Cl 62a_100000761886_100011215226 [0,2,0,0,0,0|1,1,0]=4 12365 B13R1.369 N#CCCSc1ccc(cc1N)Cl 62a_100011215226_100000761886 [0,2,0,0,0,0|1,1,0]=4 12366 B13R1.369 N#CCCSc1ccc(cc1O)Cl 62a_100000050036_100011215226 [0,2,0,0,0,0|1,1,0]=4 12367 B13R1.369 N#CCCSc1ccc(cc1O)Cl 62a_100011215226_100000050036 [0,2,0,0,0,0|1,1,0]=4 12368 B13R1.369 N#CCOCc1ccc(cc1Br)Cl 7a_100000707881_100011215382 [0,2,0,0,0,0|1,0,1]=4 12369 B13R1.369 N#CCOCc1ccc(cc1Cl)Cl 7a_100000215721_100011215382 [0,2,0,0,0,0|1,0,1]=4 12370 B13R1.369 N#CCOCc1ccc(cc1F)Cl 7a_100011217562_100011215382 [0,2,0,0,0,0|1,0,1]=4 12371 B13R1.369 N#CCOCc1ccc(cc1I)Cl 7a_100000722340_100011215382 [0,2,0,0,0,0|1,0,1]=4 12372 B13R1.369 N#CCOCc1ccc(cc1N)Cl 7a_100000238622_100011215382 [0,2,0,0,0,0|1,0,1]=4 12373 B13R1.369 NCCOCc1ccc(cc1Br)Br 34a_100000210304_200012351560 [0,2,0,0,0,0|1,1,0]=4 12374 B13R1.369 NCCOCc1ccc(cc1Br)Cl 34a_100000210304_100000755608 [0,2,0,0,0,0|1,0,0]=3 12375 B13R1.369 NCCOCc1ccc(cc1Br)F 34a_100000210304_100000243222 [0,2,0,0,0,0|1,1,0]=4 12376 B13R1.369 NCCOCc1ccc(cc1Br)I 34a_100000210304_100010146610 [0,2,0,0,0,0|1,1,0]=4 12377 B13R1.369 NCCOCc1ccc(cc1Cl)Br 34a_100000210304_100011740631 [0,2,0,0,0,0|1,1,0]=4 12378 B13R1.369 NCCOCc1ccc(cc1Cl)Cl 34a_100000210304_100000188473 [0,2,0,0,0,0|1,0,0]=3 12379 B13R1.369 NCCOCc1ccc(cc1Cl)F 34a_100000210304_100011216360 [0,2,0,0,0,0|1,1,0]=4 12380 B13R1.369 NCCOCc1ccc(cc1F)Br 34a_100000210304_100000211606 [0,2,0,0,0,0|1,1,0]=4 12381 B13R1.369 NCCOCc1ccc(cc1F)Cl 34a_100000210304_100000709361 [0,2,0,0,0,0|1,0,0]=3 12382 B13R1.369 NCCOCc1ccc(cc1F)F 34a_100000210304_100000748237 [0,2,0,0,0,0|1,1,0]=4 12383 B13R1.369 NCCOCc1ccc(cc1F)I 34a_100000210304_100010244991 [0,2,0,0,0,0|1,1,0]=4 12384 B13R1.369 NCCOCc1ccc(cc1I)Br 34a_100000210304_100010146615 [0,2,0,0,0,0|1,1,0]=4 12385 B13R1.369 NCCOCc1ccc(cc1I)Cl 34a_100000210304_100010254388 [0,2,0,0,0,0|1,0,0]=3 12386 B13R1.369 NCCOCc1ccc(cc1I)F 34a_100000210304_100012354799 [0,2,0,0,0,0|1,1,0]=4 12387 B13R1.369 NCCOCc1ccc(nc1Cl)Cl 34a_100000210304_100000722033 [0,2,0,0,0,0|2,0,0]=4 12388 B13R1.369 NCCOCc1cnc(cc1Cl)Cl 34a_100000210304_100011997056 [0,2,0,0,0,0|2,0,0]=4 12389 B13R1.369 NCCOCc1ncc(cc1F)Cl 34a_100000210304_200009879301 [0,2,0,0,0,0|2,0,0]=4 12390 B13R1.369 Nc1cc(ccc1COCC=O)Cl 34a_100000238622_200009817547 [0,2,0,0,0,0|0,0,2]=4 12391 B13R1.369 Nc1cc(ccc1COCC=O)Cl 7a_100000238622_200015260668 [0,2,0,0,0,0|0,0,2]=4 12392 B13R1.369 Nc1cc(ccc1COCCF)Br 34a_100000718831_100011217306 [0,2,0,0,0,0|1,1,0]=4 12393 B13R1.369 Nc1cc(ccc1COCCF)Br 7a_100000718831_100011217306 [0,2,0,0,0,0|1,1,0]=4 12394 B13R1.369 Nc1cc(ccc1COCCF)Cl 34a_100000238622_100011217306 [0,2,0,0,0,0|1,0,0]=3 12395 B13R1.369 Nc1cc(ccc1COCCF)Cl 7a_100000238622_100011217306 [0,2,0,0,0,0|1,0,0]=3 12396 B13R1.369 Nc1cc(ccc1COCCF)F 34a_100011996588_100011217306 [0,2,0,0,0,0|1,1,0]=4 12397 B13R1.369 Nc1cc(ccc1COCCO)Br 34a_100000718831_100000211926 [0,2,0,0,0,0|0,1,0]=3 12398 B13R1.369 Nc1cc(ccc1COCCO)Br 7a_100000718831_100000211926 [0,2,0,0,0,0|0,1,0]=3 12399 B13R1.369 Nc1cc(ccc1COCCO)Cl 34a_100000238622_100000211926 [0,2,0,0,0,0|0,0,0]=2 12400 B13R1.369 Nc1cc(ccc1COCCO)Cl 7a_100000238622_100000211926 [0,2,0,0,0,0|0,0,0]=2 12401 B13R1.369 Nc1cc(ccc1COCCO)F 34a_100011996588_100000211926 [0,2,0,0,0,0|0,1,0]=3 12402 B13R1.369 Nc1cc(ccc1OCCCF)Br 34a_100000752626_100011934791 [0,2,0,0,0,0|1,1,0]=4 12403 B13R1.369 Nc1cc(ccc1OCCCF)Br 7a_100000752626_100011934791 [0,2,0,0,0,0|1,1,0]=4 12404 B13R1.369 Nc1cc(ccc1OCCCF)Cl 34a_100000210500_100011934791 [0,2,0,0,0,0|1,0,0]=3 12405 B13R1.369 Nc1cc(ccc1OCCCF)Cl 7a_100000210500_100011934791 [0,2,0,0,0,0|1,0,0]=3 12406 B13R1.369 Nc1cc(ccc1OCCCF)F 34a_100000759472_100011934791 [0,2,0,0,0,0|1,1,0]=4 12407 B13R1.369 Nc1cc(ccc1OCCCF)F 7a_100000759472_100011934791 [0,2,0,0,0,0|1,1,0]=4 12408 B13R1.369 Nc1cc(ccc1OCCCF)I 34a_100000753495_100011934791 [0,2,0,0,0,0|1,1,0]=4 12409 B13R1.369 Nc1cc(ccc1OCCCF)I 7a_100000753495_100011934791 [0,2,0,0,0,0|1,1,0]=4 12410 B13R1.369 Nc1cc(ccc1OCCCO)Br 34a_100000752626_100000230001 [0,2,0,0,0,0|0,1,0]=3 12411 B13R1.369 Nc1cc(ccc1OCCCO)Br 7a_100000752626_100011215043 [0,2,0,0,0,0|0,1,0]=3 12412 B13R1.369 Nc1cc(ccc1OCCCO)Cl 34a_100000210500_100000230001 [0,2,0,0,0,0|0,0,0]=2 12413 B13R1.369 Nc1cc(ccc1OCCCO)Cl 7a_100000210500_100011215043 [0,2,0,0,0,0|0,0,0]=2 12414 B13R1.369 Nc1cc(ccc1OCCCO)F 34a_100000759472_100000230001 [0,2,0,0,0,0|0,1,0]=3 12415 B13R1.369 Nc1cc(ccc1OCCCO)F 7a_100000759472_100011215043 [0,2,0,0,0,0|0,1,0]=3 12416 B13R1.369 Nc1cc(ccc1OCCCO)I 34a_100000753495_100000230001 [0,2,0,0,0,0|0,1,0]=3 12417 B13R1.369 Nc1cc(ccc1OCCCO)I 7a_100000753495_100011215043 [0,2,0,0,0,0|0,1,0]=3 12418 B13R1.369 Nc1cc(ccc1SCCCF)Cl 62a_100000761886_100011934791 [0,2,0,0,0,0|1,1,0]=4 12419 B13R1.369 Nc1cc(ccc1SCCCF)Cl 62a_100011934791_100000761886 [0,2,0,0,0,0|1,1,0]=4 12420 B13R1.369 Nc1cc(ccc1SCCCO)Br 62a_100000743836_100011215043 [0,2,0,0,0,0|0,2,0]=4 12421 B13R1.369 Nc1cc(ccc1SCCCO)Br 62a_100011215043_100000743836 [0,2,0,0,0,0|0,2,0]=4 12422 B13R1.369 Nc1cc(ccc1SCCCO)Cl 62a_100000761886_100011215043 [0,2,0,0,0,0|0,1,0]=3 12423 B13R1.369 Nc1cc(ccc1SCCCO)Cl 62a_100011215043_100000761886 [0,2,0,0,0,0|0,1,0]=3 12424 B13R1.369 Nc1cc(ccc1SCCCO)F 62a_100000687223_100011215043 [0,2,0,0,0,0|0,2,0]=4 12425 B13R1.369 Nc1cc(ccc1SCCCO)F 62a_100011215043_100000687223 [0,2,0,0,0,0|0,2,0]=4 12426 B13R1.369 Nc1cc(ccc1SCCCO)O 62a_100011215043_100011999798 [0,2,0,0,0,0|1,1,0]=4 12427 B13R1.369 Nc1cc(ccc1SCCCO)O 62a_100011999798_100011215043 [0,2,0,0,0,0|1,1,0]=4 12428 B13R1.369 Nc1cc(cnc1OCCCF)Cl 34a_100011998249_100011934791 [0,2,0,0,0,0|2,0,0]=4 12429 B13R1.369 Nc1cc(cnc1OCCCO)Br 34a_100000743729_100000230001 [0,2,0,0,0,0|1,1,0]=4 12430 B13R1.369 Nc1cc(cnc1OCCCO)Cl 34a_100011998249_100000230001 [0,2,0,0,0,0|1,0,0]=3 12431 B13R1.369 Nc1cc(ncc1COCCF)Cl 34a_100009830438_100011217306 [0,2,0,0,0,0|2,0,0]=4 12432 B13R1.369 Nc1cc(ncc1COCCO)Cl 34a_100009830438_100000211926 [0,2,0,0,0,0|1,0,0]=3 12433 B13R1.369 Nc1cc(ncc1OCCCO)Br 34a_100009819941_100000230001 [0,2,0,0,0,0|1,1,0]=4 12434 B13R1.369 Nc1cc(ncc1OCCCO)Br 7a_100009819941_100011215043 [0,2,0,0,0,0|1,1,0]=4 12435 B13R1.369 Nc1cc(ncc1SCCCO)Cl 62a_100010209552_100011215043 [0,2,0,0,0,0|1,1,0]=4 12436 B13R1.369 Nc1cc(ncc1SCCCO)Cl 62a_100011215043_100010209552 [0,2,0,0,0,0|1,1,0]=4 12437 B13R1.369 Nc1ccc(c(c1)Br)OCCCF 34a_100011534360_100011934791 [0,2,0,0,0,0|2,0,0]=4 12438 B13R1.369 Nc1ccc(c(c1)Br)OCCCF 7a_100011534360_100011934791 [0,2,0,0,0,0|2,0,0]=4 12439 B13R1.369 Nc1ccc(c(c1)Br)OCCCO 34a_100011534360_100000230001 [0,2,0,0,0,0|1,0,0]=3 12440 B13R1.369 Nc1ccc(c(c1)Br)OCCCO 7a_100011534360_100011215043 [0,2,0,0,0,0|1,0,0]=3 12441 B13R1.369 Nc1ccc(c(c1)Br)SCCCO 62a_100000750458_100011215043 [0,2,0,0,0,0|1,1,0]=4 12442 B13R1.369 Nc1ccc(c(c1)Br)SCCCO 62a_100011215043_100000750458 [0,2,0,0,0,0|1,1,0]=4 12443 B13R1.369 Nc1ccc(c(c1)Cl)COCCF 34a_100000689119_100011217306 [0,2,0,0,0,0|2,0,0]=4 12444 B13R1.369 Nc1ccc(c(c1)Cl)COCCO 34a_100000689119_100000211926 [0,2,0,0,0,0|1,0,0]=3 12445 B13R1.369 Nc1ccc(c(c1)Cl)OCCCF 34a_100000744943_100011934791 [0,2,0,0,0,0|2,0,0]=4 12446 B13R1.369 Nc1ccc(c(c1)Cl)OCCCF 7a_100000744943_100011934791 [0,2,0,0,0,0|2,0,0]=4 12447 B13R1.369 Nc1ccc(c(c1)Cl)OCCCO 34a_100000744943_100000230001 [0,2,0,0,0,0|1,0,0]=3 12448 B13R1.369 Nc1ccc(c(c1)Cl)OCCCO 7a_100000744943_100011215043 [0,2,0,0,0,0|1,0,0]=3 12449 B13R1.369 Nc1ccc(c(c1)Cl)SCCCO 62a_100000761885_100011215043 [0,2,0,0,0,0|1,1,0]=4 12450 B13R1.369 Nc1ccc(c(c1)Cl)SCCCO 62a_100011215043_100000761885 [0,2,0,0,0,0|1,1,0]=4 12451 B13R1.369 Nc1ccc(c(c1)F)OCCCF 34a_100011220035_100011934791 [0,2,0,0,0,0|2,0,0]=4 12452 B13R1.369 Nc1ccc(c(c1)F)OCCCF 7a_100011220035_100011934791 [0,2,0,0,0,0|2,0,0]=4 12453 B13R1.369 Nc1ccc(c(c1)F)OCCCO 34a_100011220035_100000230001 [0,2,0,0,0,0|1,0,0]=3 12454 B13R1.369 Nc1ccc(c(c1)F)OCCCO 7a_100011220035_100011215043 [0,2,0,0,0,0|1,0,0]=3 12455 B13R1.369 Nc1ccc(c(c1)F)SCCCO 62a_100011215043_100011356925 [0,2,0,0,0,0|1,1,0]=4 12456 B13R1.369 Nc1ccc(c(c1)F)SCCCO 62a_100011356925_100011215043 [0,2,0,0,0,0|1,1,0]=4 12457 B13R1.369 Nc1ccc(c(c1)N)OCCCF 34a_100000725306_100011934791 [0,2,0,0,0,0|2,0,0]=4 12458 B13R1.369 Nc1ccc(c(c1)N)OCCCO 34a_100000725306_100000230001 [0,2,0,0,0,0|1,0,0]=3 12459 B13R1.369 Nc1ccc(c(c1)N)SCCCO 62a_100011215043_200012175722 [0,2,0,0,0,0|1,1,0]=4 12460 B13R1.369 Nc1ccc(c(c1)N)SCCCO 62a_200012175722_100011215043 [0,2,0,0,0,0|1,1,0]=4 12461 B13R1.369 Nc1nc(ccc1OCCCF)Cl 34a_100000717809_100011934791 [0,2,0,0,0,0|2,0,0]=4 12462 B13R1.369 Nc1nc(ccc1OCCCF)Cl 7a_100000717809_100011934791 [0,2,0,0,0,0|2,0,0]=4 12463 B13R1.369 Nc1nc(ccc1OCCCO)Br 34a_100000685527_100000230001 [0,2,0,0,0,0|1,1,0]=4 12464 B13R1.369 Nc1nc(ccc1OCCCO)Br 7a_100000685527_100011215043 [0,2,0,0,0,0|1,1,0]=4 12465 B13R1.369 Nc1nc(ccc1OCCCO)Cl 34a_100000717809_100000230001 [0,2,0,0,0,0|1,0,0]=3 12466 B13R1.369 Nc1nc(ccc1OCCCO)Cl 7a_100000717809_100011215043 [0,2,0,0,0,0|1,0,0]=3 12467 B13R1.369 Nc1nc(ccc1SCCCO)Cl 62a_100010171640_100011215043 [0,2,0,0,0,0|1,1,0]=4 12468 B13R1.369 Nc1nc(ccc1SCCCO)Cl 62a_100011215043_100010171640 [0,2,0,0,0,0|1,1,0]=4 12469 B13R1.369 Nc1nc(ncc1COCCO)Cl 7a_200009965464_100000211926 [0,2,0,0,0,0|2,0,0]=4 12470 B13R1.369 O=CCOCc1ccc(cc1Br)Cl 34a_100000707881_200009817547 [0,2,0,0,0,0|0,0,2]=4 12471 B13R1.369 O=CCOCc1ccc(cc1Br)Cl 7a_100000707881_200015260668 [0,2,0,0,0,0|0,0,2]=4 12472 B13R1.369 O=CCOCc1ccc(cc1Cl)Cl 34a_100000215721_200009817547 [0,2,0,0,0,0|0,0,2]=4 12473 B13R1.369 O=CCOCc1ccc(cc1Cl)Cl 7a_100000215721_200015260668 [0,2,0,0,0,0|0,0,2]=4 12474 B13R1.369 O=CCOCc1ccc(cc1F)Cl 34a_100011217562_200009817547 [0,2,0,0,0,0|0,0,2]=4 12475 B13R1.369 O=CCOCc1ccc(cc1F)Cl 7a_100011217562_200015260668 [0,2,0,0,0,0|0,0,2]=4 12476 B13R1.369 O=CCOCc1ccc(cc1I)Cl 34a_100000722340_200009817547 [0,2,0,0,0,0|0,0,2]=4 12477 B13R1.369 O=CCOCc1ccc(cc1I)Cl 7a_100000722340_200015260668 [0,2,0,0,0,0|0,0,2]=4 12478 B13R1.369 OCCCNc1ccc(cc1Br)Br 34a_100000211012_100000230001 [0,2,0,0,0,0|1,1,0]=4 12479 B13R1.369 OCCCNc1ccc(cc1Br)Cl 34a_100000752454_100000230001 [0,2,0,0,0,0|1,0,0]=3 12480 B13R1.369 OCCCNc1ccc(cc1Br)F 34a_100000738039_100000230001 [0,2,0,0,0,0|1,1,0]=4 12481 B13R1.369 OCCCNc1ccc(cc1Br)O 34a_100012001276_100000230001 [0,2,0,0,0,0|2,0,0]=4 12482 B13R1.369 OCCCNc1ccc(cc1Cl)Br 34a_100000211467_100000230001 [0,2,0,0,0,0|1,1,0]=4 12483 B13R1.369 OCCCNc1ccc(cc1Cl)Cl 34a_100000185861_100000230001 [0,2,0,0,0,0|1,0,0]=3 12484 B13R1.369 OCCCNc1ccc(cc1Cl)F 34a_100000212003_100000230001 [0,2,0,0,0,0|1,1,0]=4 12485 B13R1.369 OCCCNc1ccc(cc1Cl)I 34a_100011218065_100000230001 [0,2,0,0,0,0|1,1,0]=4 12486 B13R1.369 OCCCNc1ccc(cc1Cl)O 34a_100011215599_100000230001 [0,2,0,0,0,0|2,0,0]=4 12487 B13R1.369 OCCCNc1ccc(cc1F)Br 34a_100000210722_100000230001 [0,2,0,0,0,0|1,1,0]=4 12488 B13R1.369 OCCCNc1ccc(cc1F)Cl 34a_100000211020_100000230001 [0,2,0,0,0,0|1,0,0]=3 12489 B13R1.369 OCCCNc1ccc(cc1F)F 34a_100000210720_100000230001 [0,2,0,0,0,0|1,1,0]=4 12490 B13R1.369 OCCCNc1ccc(cc1F)I 34a_100011215594_100000230001 [0,2,0,0,0,0|1,1,0]=4 12491 B13R1.369 OCCCNc1ccc(cc1F)O 34a_100000759473_100000230001 [0,2,0,0,0,0|2,0,0]=4 12492 B13R1.369 OCCCNc1ccc(cc1I)Br 34a_100000187925_100000230001 [0,2,0,0,0,0|1,1,0]=4 12493 B13R1.369 OCCCNc1ccc(cc1I)Cl 34a_100000761889_100000230001 [0,2,0,0,0,0|1,0,0]=3 12494 B13R1.369 OCCCNc1ccc(cc1I)F 34a_100000760547_100000230001 [0,2,0,0,0,0|1,1,0]=4 12495 B13R1.369 OCCCNc1ccc(cc1I)O 34a_100010084370_100000230001 [0,2,0,0,0,0|2,0,0]=4 12496 B13R1.369 OCCCNc1ccc(cc1O)Br 34a_100000739049_100000230001 [0,2,0,0,0,0|1,1,0]=4 12497 B13R1.369 OCCCNc1ccc(cc1O)Cl 34a_100000185728_100000230001 [0,2,0,0,0,0|1,0,0]=3 12498 B13R1.369 OCCCNc1ccc(cc1O)F 34a_100000753323_100000230001 [0,2,0,0,0,0|1,1,0]=4 12499 B13R1.369 OCCCNc1ccc(cc1O)O 34a_100000106777_100000230001 [0,2,0,0,0,0|2,0,0]=4 12500 B13R1.369 OCCCOc1ccc(cc1Br)Br 34a_100000188717_100000230001 [0,2,0,0,0,0|0,1,0]=3 12501 B13R1.369 OCCCOc1ccc(cc1Br)Br 7a_100000188717_100011215043 [0,2,0,0,0,0|0,1,0]=3 12502 B13R1.369 OCCCOc1ccc(cc1Br)Cl 34a_100000211998_100000230001 [0,2,0,0,0,0|0,0,0]=2 12503 B13R1.369 OCCCOc1ccc(cc1Br)Cl 7a_100000211998_100011215043 [0,2,0,0,0,0|0,0,0]=2 12504 B13R1.369 OCCCOc1ccc(cc1Br)F 34a_100000211999_100000230001 [0,2,0,0,0,0|0,1,0]=3 12505 B13R1.369 OCCCOc1ccc(cc1Br)F 7a_100000211999_100011215043 [0,2,0,0,0,0|0,1,0]=3 12506 B13R1.369 OCCCOc1ccc(cc1Br)I 34a_100012361655_100000230001 [0,2,0,0,0,0|0,1,0]=3 12507 B13R1.369 OCCCOc1ccc(cc1Br)I 7a_100012361655_100011215043 [0,2,0,0,0,0|0,1,0]=3 12508 B13R1.369 OCCCOc1ccc(cc1Cl)Br 34a_100000186472_100000230001 [0,2,0,0,0,0|0,1,0]=3 12509 B13R1.369 OCCCOc1ccc(cc1Cl)Br 7a_100000186472_100011215043 [0,2,0,0,0,0|0,1,0]=3 12510 B13R1.369 OCCCOc1ccc(cc1Cl)Cl 34a_100015191787_100000230001 [0,2,0,0,0,0|0,0,0]=2 12511 B13R1.369 OCCCOc1ccc(cc1Cl)Cl 7a_100015191787_100011215043 [0,2,0,0,0,0|0,0,0]=2 12512 B13R1.369 OCCCOc1ccc(cc1Cl)F 34a_100000212004_100000230001 [0,2,0,0,0,0|0,1,0]=3 12513 B13R1.369 OCCCOc1ccc(cc1Cl)F 7a_100000212004_100011215043 [0,2,0,0,0,0|0,1,0]=3 12514 B13R1.369 OCCCOc1ccc(cc1Cl)I 34a_100012360047_100000230001 [0,2,0,0,0,0|0,1,0]=3 12515 B13R1.369 OCCCOc1ccc(cc1Cl)I 7a_100012360047_100011215043 [0,2,0,0,0,0|0,1,0]=3 12516 B13R1.369 OCCCOc1ccc(cc1F)Br 34a_100000185481_100000230001 [0,2,0,0,0,0|0,1,0]=3 12517 B13R1.369 OCCCOc1ccc(cc1F)Br 7a_100000185481_100011215043 [0,2,0,0,0,0|0,1,0]=3 12518 B13R1.369 OCCCOc1ccc(cc1F)Cl 34a_100000230166_100000230001 [0,2,0,0,0,0|0,0,0]=2 12519 B13R1.369 OCCCOc1ccc(cc1F)Cl 7a_100000230166_100011215043 [0,2,0,0,0,0|0,0,0]=2 12520 B13R1.369 OCCCOc1ccc(cc1F)F 34a_100000230127_100000230001 [0,2,0,0,0,0|0,1,0]=3 12521 B13R1.369 OCCCOc1ccc(cc1F)F 7a_100000230127_100011215043 [0,2,0,0,0,0|0,1,0]=3 12522 B13R1.369 OCCCOc1ccc(cc1F)I 34a_100011356965_100000230001 [0,2,0,0,0,0|0,1,0]=3 12523 B13R1.369 OCCCOc1ccc(cc1F)I 7a_100011356965_100011215043 [0,2,0,0,0,0|0,1,0]=3 12524 B13R1.369 OCCCOc1ccc(cc1I)Br 34a_100012355227_100000230001 [0,2,0,0,0,0|0,1,0]=3 12525 B13R1.369 OCCCOc1ccc(cc1I)Br 7a_100012355227_100011215043 [0,2,0,0,0,0|0,1,0]=3 12526 B13R1.369 OCCCOc1ccc(cc1I)Cl 34a_100011356953_100000230001 [0,2,0,0,0,0|0,0,0]=2 12527 B13R1.369 OCCCOc1ccc(cc1I)Cl 7a_100011356953_100011215043 [0,2,0,0,0,0|0,0,0]=2 12528 B13R1.369 OCCCOc1ccc(cc1I)F 34a_100012355409_100000230001 [0,2,0,0,0,0|0,1,0]=3 12529 B13R1.369 OCCCOc1ccc(cc1I)F 7a_100012355409_100011215043 [0,2,0,0,0,0|0,1,0]=3 12530 B13R1.369 OCCCOc1ccc(cc1I)I 7a_100010001573_100011215043 [0,2,0,0,0,0|0,1,0]=3 12531 B13R1.369 OCCCOc1ccc(nc1Br)Br 34a_100009999766_100000230001 [0,2,0,0,0,0|1,1,0]=4 12532 B13R1.369 OCCCOc1ccc(nc1Br)Br 7a_100009999766_100011215043 [0,2,0,0,0,0|1,1,0]=4 12533 B13R1.369 OCCCOc1ccc(nc1Br)Cl 34a_100010219353_100000230001 [0,2,0,0,0,0|1,0,0]=3 12534 B13R1.369 OCCCOc1ccc(nc1Br)Cl 7a_100010219353_100011215043 [0,2,0,0,0,0|1,0,0]=3 12535 B13R1.369 OCCCOc1ccc(nc1Br)F 34a_100009887730_100000230001 [0,2,0,0,0,0|1,1,0]=4 12536 B13R1.369 OCCCOc1ccc(nc1Br)F 7a_100009887730_100011215043 [0,2,0,0,0,0|1,1,0]=4 12537 B13R1.369 OCCCOc1ccc(nc1Br)I 34a_100000725334_100000230001 [0,2,0,0,0,0|1,1,0]=4 12538 B13R1.369 OCCCOc1ccc(nc1Br)I 7a_100000725334_100011215043 [0,2,0,0,0,0|1,1,0]=4 12539 B13R1.369 OCCCOc1ccc(nc1Cl)Br 34a_100010246206_100000230001 [0,2,0,0,0,0|1,1,0]=4 12540 B13R1.369 OCCCOc1ccc(nc1Cl)Br 7a_100010246206_100011215043 [0,2,0,0,0,0|1,1,0]=4 12541 B13R1.369 OCCCOc1ccc(nc1Cl)Cl 34a_100000101165_100000230001 [0,2,0,0,0,0|1,0,0]=3 12542 B13R1.369 OCCCOc1ccc(nc1Cl)Cl 7a_100000101165_100011215043 [0,2,0,0,0,0|1,0,0]=3 12543 B13R1.369 OCCCOc1ccc(nc1Cl)I 34a_100000721234_100000230001 [0,2,0,0,0,0|1,1,0]=4 12544 B13R1.369 OCCCOc1ccc(nc1Cl)I 7a_100000721234_100011215043 [0,2,0,0,0,0|1,1,0]=4 12545 B13R1.369 OCCCOc1ccc(nc1F)Br 34a_100009819667_100000230001 [0,2,0,0,0,0|1,1,0]=4 12546 B13R1.369 OCCCOc1ccc(nc1F)Br 7a_100009819667_100011215043 [0,2,0,0,0,0|1,1,0]=4 12547 B13R1.369 OCCCOc1ccc(nc1F)Cl 34a_100009880201_100000230001 [0,2,0,0,0,0|1,0,0]=3 12548 B13R1.369 OCCCOc1ccc(nc1F)Cl 7a_100009880201_100011215043 [0,2,0,0,0,0|1,0,0]=3 12549 B13R1.369 OCCCOc1ccc(nc1F)F 34a_100000101184_100000230001 [0,2,0,0,0,0|1,1,0]=4 12550 B13R1.369 OCCCOc1ccc(nc1F)F 7a_100000101184_100011215043 [0,2,0,0,0,0|1,1,0]=4 12551 B13R1.369 OCCCOc1ccc(nc1I)Br 34a_100010253912_100000230001 [0,2,0,0,0,0|1,1,0]=4 12552 B13R1.369 OCCCOc1ccc(nc1I)Br 7a_100010253912_100011215043 [0,2,0,0,0,0|1,1,0]=4 12553 B13R1.369 OCCCOc1ccc(nc1I)Cl 34a_100000696390_100000230001 [0,2,0,0,0,0|1,0,0]=3 12554 B13R1.369 OCCCOc1ccc(nc1I)Cl 7a_100000696390_100011215043 [0,2,0,0,0,0|1,0,0]=3 12555 B13R1.369 OCCCOc1ccc(nc1I)F 34a_100010382442_100000230001 [0,2,0,0,0,0|1,1,0]=4 12556 B13R1.369 OCCCOc1ccc(nc1I)F 7a_100010382442_100011215043 [0,2,0,0,0,0|1,1,0]=4 12557 B13R1.369 OCCCOc1cnc(cc1Cl)Cl 34a_100009868576_100000230001 [0,2,0,0,0,0|1,0,0]=3 12558 B13R1.369 OCCCOc1cnc(cc1Cl)Cl 7a_100009868576_100011215043 [0,2,0,0,0,0|1,0,0]=3 12559 B13R1.369 OCCCOc1cnc(cc1F)F 34a_100009885687_100000230001 [0,2,0,0,0,0|1,1,0]=4 12560 B13R1.369 OCCCOc1cnc(cc1F)F 7a_100009885687_100011215043 [0,2,0,0,0,0|1,1,0]=4 12561 B13R1.369 OCCCOc1cnc(cc1I)Cl 34a_100000698892_100000230001 [0,2,0,0,0,0|1,0,0]=3 12562 B13R1.369 OCCCOc1cnc(cc1I)Cl 7a_100000698892_100011215043 [0,2,0,0,0,0|1,0,0]=3 12563 B13R1.369 OCCCOc1cnc(nc1Cl)Cl 34a_100010725077_100000230001 [0,2,0,0,0,0|2,0,0]=4 12564 B13R1.369 OCCCOc1cnc(nc1Cl)Cl 7a_100010725077_100011215043 [0,2,0,0,0,0|2,0,0]=4 12565 B13R1.369 OCCCOc1ncc(cc1Br)Br 34a_100000701035_100000230001 [0,2,0,0,0,0|1,1,0]=4 12566 B13R1.369 OCCCOc1ncc(cc1Cl)Br 34a_100012339560_100000230001 [0,2,0,0,0,0|1,1,0]=4 12567 B13R1.369 OCCCOc1ncc(cc1Cl)F 34a_100009847679_100000230001 [0,2,0,0,0,0|1,1,0]=4 12568 B13R1.369 OCCCOc1ncc(cc1F)Cl 34a_100011998252_100000230001 [0,2,0,0,0,0|1,0,0]=3 12569 B13R1.369 OCCCOc1ncc(cc1F)F 34a_100012025737_100000230001 [0,2,0,0,0,0|1,1,0]=4 12570 B13R1.369 OCCCSc1ccc(cc1Br)Br 62a_100011215043_100011484698 [0,2,0,0,0,0|0,2,0]=4 12571 B13R1.369 OCCCSc1ccc(cc1Br)Br 62a_100011484698_100011215043 [0,2,0,0,0,0|0,2,0]=4 12572 B13R1.369 OCCCSc1ccc(cc1Br)Cl 62a_100011215043_100011219703 [0,2,0,0,0,0|0,1,0]=3 12573 B13R1.369 OCCCSc1ccc(cc1Br)Cl 62a_100011219703_100011215043 [0,2,0,0,0,0|0,1,0]=3 12574 B13R1.369 OCCCSc1ccc(cc1Br)F 62a_100011215043_100011217111 [0,2,0,0,0,0|0,2,0]=4 12575 B13R1.369 OCCCSc1ccc(cc1Br)F 62a_100011217111_100011215043 [0,2,0,0,0,0|0,2,0]=4 12576 B13R1.369 OCCCSc1ccc(cc1Br)O 62a_100000701344_100011215043 [0,2,0,0,0,0|1,1,0]=4 12577 B13R1.369 OCCCSc1ccc(cc1Br)O 62a_100011215043_100000701344 [0,2,0,0,0,0|1,1,0]=4 12578 B13R1.369 OCCCSc1ccc(cc1Cl)Br 62a_100011215043_100011216062 [0,2,0,0,0,0|0,2,0]=4 12579 B13R1.369 OCCCSc1ccc(cc1Cl)Br 62a_100011216062_100011215043 [0,2,0,0,0,0|0,2,0]=4 12580 B13R1.369 OCCCSc1ccc(cc1Cl)Cl 62a_100000699841_100011215043 [0,2,0,0,0,0|0,1,0]=3 12581 B13R1.369 OCCCSc1ccc(cc1Cl)Cl 62a_100011215043_100000699841 [0,2,0,0,0,0|0,1,0]=3 12582 B13R1.369 OCCCSc1ccc(cc1Cl)F 62a_100000733362_100011215043 [0,2,0,0,0,0|0,2,0]=4 12583 B13R1.369 OCCCSc1ccc(cc1Cl)F 62a_100011215043_100000733362 [0,2,0,0,0,0|0,2,0]=4 12584 B13R1.369 OCCCSc1ccc(cc1Cl)O 62a_100000047559_100011215043 [0,2,0,0,0,0|1,1,0]=4 12585 B13R1.369 OCCCSc1ccc(cc1Cl)O 62a_100011215043_100000047559 [0,2,0,0,0,0|1,1,0]=4 12586 B13R1.369 OCCCSc1ccc(cc1F)Br 62a_100009814013_100011215043 [0,2,0,0,0,0|0,2,0]=4 12587 B13R1.369 OCCCSc1ccc(cc1F)Br 62a_100011215043_100009814013 [0,2,0,0,0,0|0,2,0]=4 12588 B13R1.369 OCCCSc1ccc(cc1F)Cl 62a_100011215043_100011216042 [0,2,0,0,0,0|0,1,0]=3 12589 B13R1.369 OCCCSc1ccc(cc1F)Cl 62a_100011216042_100011215043 [0,2,0,0,0,0|0,1,0]=3 12590 B13R1.369 OCCCSc1ccc(cc1F)F 62a_100000750030_100011215043 [0,2,0,0,0,0|0,2,0]=4 12591 B13R1.369 OCCCSc1ccc(cc1F)F 62a_100011215043_100000750030 [0,2,0,0,0,0|0,2,0]=4 12592 B13R1.369 OCCCSc1ccc(cc1F)O 62a_100000755031_100011215043 [0,2,0,0,0,0|1,1,0]=4 12593 B13R1.369 OCCCSc1ccc(cc1F)O 62a_100011215043_100000755031 [0,2,0,0,0,0|1,1,0]=4 12594 B13R1.369 OCCCSc1ccc(cc1O)Br 62a_100011215043_100012344904 [0,2,0,0,0,0|0,2,0]=4 12595 B13R1.369 OCCCSc1ccc(cc1O)Br 62a_100012344904_100011215043 [0,2,0,0,0,0|0,2,0]=4 12596 B13R1.369 OCCCSc1ccc(cc1O)Cl 62a_100000050036_100011215043 [0,2,0,0,0,0|0,1,0]=3 12597 B13R1.369 OCCCSc1ccc(cc1O)Cl 62a_100011215043_100000050036 [0,2,0,0,0,0|0,1,0]=3 12598 B13R1.369 OCCCSc1ccc(cc1O)F 62a_100000690578_100011215043 [0,2,0,0,0,0|0,2,0]=4 12599 B13R1.369 OCCCSc1ccc(cc1O)F 62a_100011215043_100000690578 [0,2,0,0,0,0|0,2,0]=4 12600 B13R1.369 OCCCSc1ccc(cc1O)O 62a_100011215043_100009813921 [0,2,0,0,0,0|1,1,0]=4 12601 B13R1.369 OCCCSc1ccc(nc1Cl)Cl 62a_100011215043_100000043682 [0,2,0,0,0,0|1,1,0]=4 12602 B13R1.369 OCCCSc1ccc(nc1F)Cl 62a_100010168078_100011215043 [0,2,0,0,0,0|1,1,0]=4 12603 B13R1.369 OCCCSc1ccc(nc1F)Cl 62a_100011215043_100010168078 [0,2,0,0,0,0|1,1,0]=4 12604 B13R1.369 OCCCSc1cnc(cc1Cl)Cl 62a_100010200927_100011215043 [0,2,0,0,0,0|1,1,0]=4 12605 B13R1.369 OCCCSc1cnc(cc1Cl)Cl 62a_100011215043_100010200927 [0,2,0,0,0,0|1,1,0]=4 12606 B13R1.369 OCCCSc1cnc(cc1F)Cl 62a_100010128100_100011215043 [0,2,0,0,0,0|1,1,0]=4 12607 B13R1.369 OCCCSc1cnc(cc1F)Cl 62a_100011215043_100010128100 [0,2,0,0,0,0|1,1,0]=4 12608 B13R1.369 OCCCSc1ncc(cc1Br)Cl 62a_100011215043_100012154958 [0,2,0,0,0,0|1,1,0]=4 12609 B13R1.369 OCCCSc1ncc(cc1Br)Cl 62a_100012154958_100011215043 [0,2,0,0,0,0|1,1,0]=4 12610 B13R1.369 OCCCSc1ncc(cc1F)Cl 62a_100011215043_100012348686 [0,2,0,0,0,0|1,1,0]=4 12611 B13R1.369 OCCCSc1ncc(cc1F)Cl 62a_100012348686_100011215043 [0,2,0,0,0,0|1,1,0]=4 12612 B13R1.369 OCCCSc1ncc(cc1O)Cl 62a_100010233512_100011215043 [0,2,0,0,0,0|1,1,0]=4 12613 B13R1.369 OCCCSc1ncc(cc1O)Cl 62a_100011215043_100010233512 [0,2,0,0,0,0|1,1,0]=4 12614 B13R1.369 OCCNCc1ccc(cc1Br)Br 207a_100000210304_100012351556 [0,2,0,0,0,0|1,1,0]=4 12615 B13R1.369 OCCNCc1ccc(cc1Br)Br 2230a_100016997473_200012351560 [0,2,0,0,0,0|1,1,0]=4 12616 B13R1.369 OCCNCc1ccc(cc1Br)Br 270004a_100000210304_100012351556 [0,2,0,0,0,0|1,1,0]=4 12617 B13R1.369 OCCNCc1ccc(cc1Br)Br 34a_100016990907_200012351560 [0,2,0,0,0,0|1,1,0]=4 12618 B13R1.369 OCCNCc1ccc(cc1Br)Cl 207a_100000210304_100000687667 [0,2,0,0,0,0|1,0,0]=3 12619 B13R1.369 OCCNCc1ccc(cc1Br)Cl 2230a_100016997473_100000755608 [0,2,0,0,0,0|1,0,0]=3 12620 B13R1.369 OCCNCc1ccc(cc1Br)Cl 270004a_100000210304_100000687667 [0,2,0,0,0,0|1,0,0]=3 12621 B13R1.369 OCCNCc1ccc(cc1Br)Cl 34a_100016990907_100000755608 [0,2,0,0,0,0|1,0,0]=3 12622 B13R1.369 OCCNCc1ccc(cc1Br)Cl 34a_100102692131_100000211926 [0,2,0,0,0,0|1,0,0]=3 12623 B13R1.369 OCCNCc1ccc(cc1Br)F 207a_100000210304_100000685661 [0,2,0,0,0,0|1,1,0]=4 12624 B13R1.369 OCCNCc1ccc(cc1Br)F 2230a_100016997473_100000243222 [0,2,0,0,0,0|1,1,0]=4 12625 B13R1.369 OCCNCc1ccc(cc1Br)F 270004a_100000210304_100000685661 [0,2,0,0,0,0|1,1,0]=4 12626 B13R1.369 OCCNCc1ccc(cc1Br)F 34a_100000708791_100000211926 [0,2,0,0,0,0|1,1,0]=4 12627 B13R1.369 OCCNCc1ccc(cc1Br)F 34a_100016990907_100000243222 [0,2,0,0,0,0|1,1,0]=4 12628 B13R1.369 OCCNCc1ccc(cc1Br)I 207a_100000210304_100010185650 [0,2,0,0,0,0|1,1,0]=4 12629 B13R1.369 OCCNCc1ccc(cc1Br)I 2230a_100016997473_100010146610 [0,2,0,0,0,0|1,1,0]=4 12630 B13R1.369 OCCNCc1ccc(cc1Br)I 34a_100016990907_100010146610 [0,2,0,0,0,0|1,1,0]=4 12631 B13R1.369 OCCNCc1ccc(cc1Cl)Br 207a_100000210304_100000764164 [0,2,0,0,0,0|1,1,0]=4 12632 B13R1.369 OCCNCc1ccc(cc1Cl)Br 2230a_100016997473_100011740631 [0,2,0,0,0,0|1,1,0]=4 12633 B13R1.369 OCCNCc1ccc(cc1Cl)Br 270004a_100000210304_100000764164 [0,2,0,0,0,0|1,1,0]=4 12634 B13R1.369 OCCNCc1ccc(cc1Cl)Br 34a_100016990907_100011740631 [0,2,0,0,0,0|1,1,0]=4 12635 B13R1.369 OCCNCc1ccc(cc1Cl)Br 34a_100020628970_100000211926 [0,2,0,0,0,0|1,1,0]=4 12636 B13R1.369 OCCNCc1ccc(cc1Cl)Cl 207a_100000210304_100000188887 [0,2,0,0,0,0|1,0,0]=3 12637 B13R1.369 OCCNCc1ccc(cc1Cl)Cl 2230a_100016997473_100000188473 [0,2,0,0,0,0|1,0,0]=3 12638 B13R1.369 OCCNCc1ccc(cc1Cl)Cl 270004a_100000210304_100000188887 [0,2,0,0,0,0|1,0,0]=3 12639 B13R1.369 OCCNCc1ccc(cc1Cl)Cl 34a_100000174880_100000211926 [0,2,0,0,0,0|1,0,0]=3 12640 B13R1.369 OCCNCc1ccc(cc1Cl)Cl 34a_100016990907_100000188473 [0,2,0,0,0,0|1,0,0]=3 12641 B13R1.369 OCCNCc1ccc(cc1Cl)F 207a_100000210304_100000752949 [0,2,0,0,0,0|1,1,0]=4 12642 B13R1.369 OCCNCc1ccc(cc1Cl)F 2230a_100016997473_100011216360 [0,2,0,0,0,0|1,1,0]=4 12643 B13R1.369 OCCNCc1ccc(cc1Cl)F 270004a_100000210304_100000752949 [0,2,0,0,0,0|1,1,0]=4 12644 B13R1.369 OCCNCc1ccc(cc1Cl)F 34a_100000174946_100000211926 [0,2,0,0,0,0|1,1,0]=4 12645 B13R1.369 OCCNCc1ccc(cc1Cl)F 34a_100016990907_100011216360 [0,2,0,0,0,0|1,1,0]=4 12646 B13R1.369 OCCNCc1ccc(cc1Cl)I 207a_100000210304_100000727542 [0,2,0,0,0,0|1,1,0]=4 12647 B13R1.369 OCCNCc1ccc(cc1Cl)O 34a_200161156549_100000211926 [0,2,0,0,0,0|2,0,0]=4 12648 B13R1.369 OCCNCc1ccc(cc1F)Br 207a_100000210304_100000211676 [0,2,0,0,0,0|1,1,0]=4 12649 B13R1.369 OCCNCc1ccc(cc1F)Br 2230a_100016997473_100000211606 [0,2,0,0,0,0|1,1,0]=4 12650 B13R1.369 OCCNCc1ccc(cc1F)Br 270004a_100000210304_100000211676 [0,2,0,0,0,0|1,1,0]=4 12651 B13R1.369 OCCNCc1ccc(cc1F)Br 34a_100000754580_100000211926 [0,2,0,0,0,0|1,1,0]=4 12652 B13R1.369 OCCNCc1ccc(cc1F)Br 34a_100016990907_100000211606 [0,2,0,0,0,0|1,1,0]=4 12653 B13R1.369 OCCNCc1ccc(cc1F)Cl 207a_100000210304_100000697372 [0,2,0,0,0,0|1,0,0]=3 12654 B13R1.369 OCCNCc1ccc(cc1F)Cl 2230a_100016997473_100000709361 [0,2,0,0,0,0|1,0,0]=3 12655 B13R1.369 OCCNCc1ccc(cc1F)Cl 270004a_100000210304_100000697372 [0,2,0,0,0,0|1,0,0]=3 12656 B13R1.369 OCCNCc1ccc(cc1F)Cl 34a_100000708496_100000211926 [0,2,0,0,0,0|1,0,0]=3 12657 B13R1.369 OCCNCc1ccc(cc1F)Cl 34a_100016990907_100000709361 [0,2,0,0,0,0|1,0,0]=3 12658 B13R1.369 OCCNCc1ccc(cc1F)F 207a_100000210304_100000211964 [0,2,0,0,0,0|1,1,0]=4 12659 B13R1.369 OCCNCc1ccc(cc1F)F 2230a_100016997473_100000748237 [0,2,0,0,0,0|1,1,0]=4 12660 B13R1.369 OCCNCc1ccc(cc1F)F 270004a_100000210304_100000211964 [0,2,0,0,0,0|1,1,0]=4 12661 B13R1.369 OCCNCc1ccc(cc1F)F 34a_100000737868_100000211926 [0,2,0,0,0,0|1,1,0]=4 12662 B13R1.369 OCCNCc1ccc(cc1F)F 34a_100016990907_100000748237 [0,2,0,0,0,0|1,1,0]=4 12663 B13R1.369 OCCNCc1ccc(cc1F)I 207a_100000210304_100000050965 [0,2,0,0,0,0|1,1,0]=4 12664 B13R1.369 OCCNCc1ccc(cc1F)I 2230a_100016997473_100010244991 [0,2,0,0,0,0|1,1,0]=4 12665 B13R1.369 OCCNCc1ccc(cc1F)I 34a_100016990907_100010244991 [0,2,0,0,0,0|1,1,0]=4 12666 B13R1.369 OCCNCc1ccc(cc1I)Br 207a_100000210304_100010146562 [0,2,0,0,0,0|1,1,0]=4 12667 B13R1.369 OCCNCc1ccc(cc1I)Br 2230a_100016997473_100010146615 [0,2,0,0,0,0|1,1,0]=4 12668 B13R1.369 OCCNCc1ccc(cc1I)Br 270004a_100000210304_100010146562 [0,2,0,0,0,0|1,1,0]=4 12669 B13R1.369 OCCNCc1ccc(cc1I)Br 34a_100016990907_100010146615 [0,2,0,0,0,0|1,1,0]=4 12670 B13R1.369 OCCNCc1ccc(cc1I)Cl 2230a_100016997473_100010254388 [0,2,0,0,0,0|1,0,0]=3 12671 B13R1.369 OCCNCc1ccc(cc1I)Cl 34a_100016990907_100010254388 [0,2,0,0,0,0|1,0,0]=3 12672 B13R1.369 OCCNCc1ccc(cc1I)F 207a_100000210304_100010254405 [0,2,0,0,0,0|1,1,0]=4 12673 B13R1.369 OCCNCc1ccc(cc1I)F 2230a_100016997473_100012354799 [0,2,0,0,0,0|1,1,0]=4 12674 B13R1.369 OCCNCc1ccc(cc1I)F 34a_100016990907_100012354799 [0,2,0,0,0,0|1,1,0]=4 12675 B13R1.369 OCCNCc1ccc(nc1Cl)Cl 2230a_100016997473_100000722033 [0,2,0,0,0,0|2,0,0]=4 12676 B13R1.369 OCCNCc1ccc(nc1Cl)Cl 34a_100016990907_100000722033 [0,2,0,0,0,0|2,0,0]=4 12677 B13R1.369 OCCNCc1cnc(cc1Br)Cl 270004a_100000210304_100009892795 [0,2,0,0,0,0|2,0,0]=4 12678 B13R1.369 OCCNCc1cnc(cc1Cl)Cl 2230a_100016997473_100011997056 [0,2,0,0,0,0|2,0,0]=4 12679 B13R1.369 OCCNCc1cnc(cc1Cl)Cl 34a_100016990907_100011997056 [0,2,0,0,0,0|2,0,0]=4 12680 B13R1.369 OCCNCc1ncc(cc1Br)Cl 207a_100000210304_100010064872 [0,2,0,0,0,0|2,0,0]=4 12681 B13R1.369 OCCNCc1ncc(cc1Br)Cl 270004a_100000210304_100010064872 [0,2,0,0,0,0|2,0,0]=4 12682 B13R1.369 OCCNCc1ncc(cc1Cl)Cl 207a_100000210304_100011361609 [0,2,0,0,0,0|2,0,0]=4 12683 B13R1.369 OCCNCc1ncc(cc1Cl)Cl 270004a_100000210304_100011361609 [0,2,0,0,0,0|2,0,0]=4 12684 B13R1.369 OCCNCc1ncc(cc1F)Cl 207a_100000210304_100009858488 [0,2,0,0,0,0|2,0,0]=4 12685 B13R1.369 OCCNCc1ncc(cc1F)Cl 2230a_100016997473_200009879301 [0,2,0,0,0,0|2,0,0]=4 12686 B13R1.369 OCCNCc1ncc(cc1F)Cl 270004a_100000210304_100009858488 [0,2,0,0,0,0|2,0,0]=4 12687 B13R1.369 OCCNCc1ncc(cc1F)Cl 34a_100016990907_200009879301 [0,2,0,0,0,0|2,0,0]=4 12688 B13R1.369 OCCOCc1ccc(cc1Br)Br 34a_100012357508_100000211926 [0,2,0,0,0,0|0,1,0]=3 12689 B13R1.369 OCCOCc1ccc(cc1Br)Br 7a_100012357508_100000211926 [0,2,0,0,0,0|0,1,0]=3 12690 B13R1.369 OCCOCc1ccc(cc1Br)Cl 34a_100000707881_100000211926 [0,2,0,0,0,0|0,0,0]=2 12691 B13R1.369 OCCOCc1ccc(cc1Br)Cl 7a_100000707881_100000211926 [0,2,0,0,0,0|0,0,0]=2 12692 B13R1.369 OCCOCc1ccc(cc1Br)F 34a_100000744086_100000211926 [0,2,0,0,0,0|0,1,0]=3 12693 B13R1.369 OCCOCc1ccc(cc1Br)F 7a_100000744086_100000211926 [0,2,0,0,0,0|0,1,0]=3 12694 B13R1.369 OCCOCc1ccc(cc1Br)I 7a_100010240206_100000211926 [0,2,0,0,0,0|0,1,0]=3 12695 B13R1.369 OCCOCc1ccc(cc1Cl)Br 34a_100000756401_100000211926 [0,2,0,0,0,0|0,1,0]=3 12696 B13R1.369 OCCOCc1ccc(cc1Cl)Br 7a_100000756401_100000211926 [0,2,0,0,0,0|0,1,0]=3 12697 B13R1.369 OCCOCc1ccc(cc1Cl)Cl 34a_100000215721_100000211926 [0,2,0,0,0,0|0,0,0]=2 12698 B13R1.369 OCCOCc1ccc(cc1Cl)Cl 7a_100000215721_100000211926 [0,2,0,0,0,0|0,0,0]=2 12699 B13R1.369 OCCOCc1ccc(cc1Cl)F 34a_100011219954_100000211926 [0,2,0,0,0,0|0,1,0]=3 12700 B13R1.369 OCCOCc1ccc(cc1Cl)F 7a_100011219954_100000211926 [0,2,0,0,0,0|0,1,0]=3 12701 B13R1.369 OCCOCc1ccc(cc1F)Br 34a_100011191541_100000211926 [0,2,0,0,0,0|0,1,0]=3 12702 B13R1.369 OCCOCc1ccc(cc1F)Br 7a_100011191541_100000211926 [0,2,0,0,0,0|0,1,0]=3 12703 B13R1.369 OCCOCc1ccc(cc1F)Cl 34a_100011217562_100000211926 [0,2,0,0,0,0|0,0,0]=2 12704 B13R1.369 OCCOCc1ccc(cc1F)Cl 7a_100011217562_100000211926 [0,2,0,0,0,0|0,0,0]=2 12705 B13R1.369 OCCOCc1ccc(cc1F)F 34a_100011215441_100000211926 [0,2,0,0,0,0|0,1,0]=3 12706 B13R1.369 OCCOCc1ccc(cc1F)F 7a_100011215441_100000211926 [0,2,0,0,0,0|0,1,0]=3 12707 B13R1.369 OCCOCc1ccc(cc1F)I 34a_200010202041_100000211926 [0,2,0,0,0,0|0,1,0]=3 12708 B13R1.369 OCCOCc1ccc(cc1F)I 7a_200010202041_100000211926 [0,2,0,0,0,0|0,1,0]=3 12709 B13R1.369 OCCOCc1ccc(cc1I)Br 7a_100010146605_100000211926 [0,2,0,0,0,0|0,1,0]=3 12710 B13R1.369 OCCOCc1ccc(cc1I)Cl 34a_100000722340_100000211926 [0,2,0,0,0,0|0,0,0]=2 12711 B13R1.369 OCCOCc1ccc(cc1I)Cl 7a_100000722340_100000211926 [0,2,0,0,0,0|0,0,0]=2 12712 B13R1.369 OCCOCc1ccc(cc1I)F 34a_100011356828_100000211926 [0,2,0,0,0,0|0,1,0]=3 12713 B13R1.369 OCCOCc1ccc(cc1I)F 7a_100011356828_100000211926 [0,2,0,0,0,0|0,1,0]=3 12714 B13R1.369 OCCOCc1ccc(nc1Br)Br 34a_200010005763_100000211926 [0,2,0,0,0,0|1,1,0]=4 12715 B13R1.369 OCCOCc1ccc(nc1Br)Br 7a_200010005763_100000211926 [0,2,0,0,0,0|1,1,0]=4 12716 B13R1.369 OCCOCc1ccc(nc1Cl)Cl 34a_100000720492_100000211926 [0,2,0,0,0,0|1,0,0]=3 12717 B13R1.369 OCCOCc1ccc(nc1Cl)Cl 7a_100000720492_100000211926 [0,2,0,0,0,0|1,0,0]=3 12718 B13R1.369 OCCOCc1ccc(nc1F)Br 34a_100010065253_100000211926 [0,2,0,0,0,0|1,1,0]=4 12719 B13R1.369 OCCOCc1ccc(nc1F)Br 7a_100010065253_100000211926 [0,2,0,0,0,0|1,1,0]=4 12720 B13R1.369 OCCOCc1ccc(nc1F)Cl 34a_100009870654_100000211926 [0,2,0,0,0,0|1,0,0]=3 12721 B13R1.369 OCCOCc1ccc(nc1F)Cl 7a_100009870654_100000211926 [0,2,0,0,0,0|1,0,0]=3 12722 B13R1.369 OCCOCc1cnc(cc1Cl)Cl 34a_100000702863_100000211926 [0,2,0,0,0,0|1,0,0]=3 12723 B13R1.369 OCCOCc1cnc(cc1Cl)Cl 7a_100000702863_100000211926 [0,2,0,0,0,0|1,0,0]=3 12724 B13R1.369 OCCOCc1cnc(nc1Cl)Cl 34a_200009828795_100000211926 [0,2,0,0,0,0|2,0,0]=4 12725 B13R1.369 OCCOCc1cnc(nc1Cl)Cl 7a_200009828795_100000211926 [0,2,0,0,0,0|2,0,0]=4 12726 B13R1.369 OCCOCc1ncc(cc1Br)Br 34a_100012354961_100000211926 [0,2,0,0,0,0|1,1,0]=4 12727 B13R1.369 OCCOCc1ncc(cc1Br)Br 7a_100012354961_100000211926 [0,2,0,0,0,0|1,1,0]=4 12728 B13R1.369 OCCOCc1ncc(cc1Br)Cl 34a_100010065237_100000211926 [0,2,0,0,0,0|1,0,0]=3 12729 B13R1.369 OCCOCc1ncc(cc1Br)Cl 7a_100010065237_100000211926 [0,2,0,0,0,0|1,0,0]=3 12730 B13R1.369 OCCOCc1ncc(cc1Cl)Br 34a_100010065239_100000211926 [0,2,0,0,0,0|1,1,0]=4 12731 B13R1.369 OCCOCc1ncc(cc1Cl)Br 7a_100010065239_100000211926 [0,2,0,0,0,0|1,1,0]=4 12732 B13R1.369 OCCOCc1ncc(cc1Cl)Cl 34a_100103146734_100000211926 [0,2,0,0,0,0|1,0,0]=3 12733 B13R1.369 OCCOCc1ncc(cc1Cl)Cl 7a_100103146734_100000211926 [0,2,0,0,0,0|1,0,0]=3 12734 B13R1.369 OCCOCc1ncc(cc1F)Br 34a_100010065252_100000211926 [0,2,0,0,0,0|1,1,0]=4 12735 B13R1.369 OCCOCc1ncc(cc1F)Br 7a_100010065252_100000211926 [0,2,0,0,0,0|1,1,0]=4 12736 B13R1.369 OCCOCc1ncc(cc1F)Cl 34a_100009885607_100000211926 [0,2,0,0,0,0|1,0,0]=3 12737 B13R1.369 OCCOCc1ncc(cc1F)Cl 7a_100009885607_100000211926 [0,2,0,0,0,0|1,0,0]=3 12738 B13R1.369 OCCOCc1ncc(cc1F)F 34a_100000104222_100000211926 [0,2,0,0,0,0|1,1,0]=4 12739 B13R1.369 OCCOCc1ncc(cc1F)F 7a_100000104222_100000211926 [0,2,0,0,0,0|1,1,0]=4 12740 B13R1.369 OCCSCc1ccc(cc1Br)Br 62a_100000211926_200012351560 [0,2,0,0,0,0|0,2,0]=4 12741 B13R1.369 OCCSCc1ccc(cc1Br)Br 62a_200012351560_100000211926 [0,2,0,0,0,0|0,2,0]=4 12742 B13R1.369 OCCSCc1ccc(cc1Br)Cl 62a_100000211926_100000755608 [0,2,0,0,0,0|0,1,0]=3 12743 B13R1.369 OCCSCc1ccc(cc1Br)Cl 62a_100000755608_100000211926 [0,2,0,0,0,0|0,1,0]=3 12744 B13R1.369 OCCSCc1ccc(cc1Br)F 62a_100000211926_100000243222 [0,2,0,0,0,0|0,2,0]=4 12745 B13R1.369 OCCSCc1ccc(cc1Br)F 62a_100000243222_100000211926 [0,2,0,0,0,0|0,2,0]=4 12746 B13R1.369 OCCSCc1ccc(cc1Br)I 62a_100000211926_100010146610 [0,2,0,0,0,0|0,2,0]=4 12747 B13R1.369 OCCSCc1ccc(cc1Br)I 62a_100010146610_100000211926 [0,2,0,0,0,0|0,2,0]=4 12748 B13R1.369 OCCSCc1ccc(cc1Cl)Br 62a_100000211926_100011740631 [0,2,0,0,0,0|0,2,0]=4 12749 B13R1.369 OCCSCc1ccc(cc1Cl)Br 62a_100011740631_100000211926 [0,2,0,0,0,0|0,2,0]=4 12750 B13R1.369 OCCSCc1ccc(cc1Cl)Cl 62a_100000188473_100000211926 [0,2,0,0,0,0|0,1,0]=3 12751 B13R1.369 OCCSCc1ccc(cc1Cl)Cl 62a_100000211926_100000188473 [0,2,0,0,0,0|0,1,0]=3 12752 B13R1.369 OCCSCc1ccc(cc1Cl)F 62a_100000187853_100000211926 [0,2,0,0,0,0|0,2,0]=4 12753 B13R1.369 OCCSCc1ccc(cc1Cl)F 62a_100000211926_100000187853 [0,2,0,0,0,0|0,2,0]=4 12754 B13R1.369 OCCSCc1ccc(cc1F)Br 62a_100000211606_100000211926 [0,2,0,0,0,0|0,2,0]=4 12755 B13R1.369 OCCSCc1ccc(cc1F)Br 62a_100000211926_100000211606 [0,2,0,0,0,0|0,2,0]=4 12756 B13R1.369 OCCSCc1ccc(cc1F)Cl 62a_100000211926_100000709361 [0,2,0,0,0,0|0,1,0]=3 12757 B13R1.369 OCCSCc1ccc(cc1F)Cl 62a_100000709361_100000211926 [0,2,0,0,0,0|0,1,0]=3 12758 B13R1.369 OCCSCc1ccc(cc1F)F 62a_100000211926_100000748237 [0,2,0,0,0,0|0,2,0]=4 12759 B13R1.369 OCCSCc1ccc(cc1F)F 62a_100000748237_100000211926 [0,2,0,0,0,0|0,2,0]=4 12760 B13R1.369 OCCSCc1ccc(cc1F)I 62a_100000211926_100010244991 [0,2,0,0,0,0|0,2,0]=4 12761 B13R1.369 OCCSCc1ccc(cc1F)I 62a_100010244991_100000211926 [0,2,0,0,0,0|0,2,0]=4 12762 B13R1.369 OCCSCc1ccc(cc1I)Br 62a_100000211926_100010146615 [0,2,0,0,0,0|0,2,0]=4 12763 B13R1.369 OCCSCc1ccc(cc1I)Br 62a_100010146615_100000211926 [0,2,0,0,0,0|0,2,0]=4 12764 B13R1.369 OCCSCc1ccc(cc1I)Cl 62a_100000211926_100010254388 [0,2,0,0,0,0|0,1,0]=3 12765 B13R1.369 OCCSCc1ccc(cc1I)Cl 62a_100010254388_100000211926 [0,2,0,0,0,0|0,1,0]=3 12766 B13R1.369 OCCSCc1ccc(cc1I)F 62a_100000211926_100012354799 [0,2,0,0,0,0|0,2,0]=4 12767 B13R1.369 OCCSCc1ccc(cc1I)F 62a_100012354799_100000211926 [0,2,0,0,0,0|0,2,0]=4 12768 B13R1.369 OCCSCc1ccc(nc1Cl)Cl 62a_100000211926_100000722033 [0,2,0,0,0,0|1,1,0]=4 12769 B13R1.369 OCCSCc1ccc(nc1Cl)Cl 62a_100000722033_100000211926 [0,2,0,0,0,0|1,1,0]=4 12770 B13R1.369 OCCSCc1cnc(cc1Cl)Cl 62a_100000211926_100011997056 [0,2,0,0,0,0|1,1,0]=4 12771 B13R1.369 OCCSCc1cnc(cc1Cl)Cl 62a_100011997056_100000211926 [0,2,0,0,0,0|1,1,0]=4 12772 B13R1.369 OCCSCc1ncc(cc1F)Cl 62a_100000211926_200009879301 [0,2,0,0,0,0|1,1,0]=4 12773 B13R1.369 OCCSCc1ncc(cc1F)Cl 62a_200009879301_100000211926 [0,2,0,0,0,0|1,1,0]=4 12774 B13R1.369 Oc1cc(ccc1NCCCF)Cl 34a_100000185728_100011934791 [0,2,0,0,0,0|2,0,0]=4 12775 B13R1.369 Oc1cc(ccc1SCCCF)Cl 62a_100000050036_100011934791 [0,2,0,0,0,0|1,1,0]=4 12776 B13R1.369 Oc1cc(ccc1SCCCF)Cl 62a_100011934791_100000050036 [0,2,0,0,0,0|1,1,0]=4 12777 B13R1.369 [13CH3]NCCOc1ccc(cc1Cl)F 2230a_100020586385_200025704644 [0,2,0,0,0,0|1,1,0]=4 12778 B13R1.369 [13CH3]NCCOc1ccc(cc1Cl)F 34a_100020586385_200025704644 [0,2,0,0,0,0|1,1,0]=4 12779 B13R1.369 [13CH3]OCCCc1ccc(cc1Cl)Cl 34a_200011713141_200025704644 [0,2,0,0,0,0|1,0,0]=3 12780 B13R1.369 [13CH3]OCCCc1ccc(cc1Cl)Cl 7a_200011713141_200025704644 [0,2,0,0,0,0|1,0,0]=3 12781 B13R1.369 [13CH3]OCCNc1ccc(cc1F)F 34a_100000692795_200025704644 [0,2,0,0,0,0|1,1,0]=4 12782 B13R1.369 [13CH3]OCCNc1ccc(cc1F)F 7a_100000692795_200025704644 [0,2,0,0,0,0|1,1,0]=4 12783 B13R1.369 [13CH3]OCCNc1ncc(cc1F)Cl 7a_200012004119_200025704644 [0,2,0,0,0,0|2,0,0]=4 12784 B13R1.369 [13CH3]OCCOc1ccc(cc1Br)Cl 34a_100000193638_200025704644 [0,2,0,0,0,0|0,0,0]=2 12785 B13R1.369 [13CH3]OCCOc1ccc(cc1Br)Cl 7a_100000193638_200025704644 [0,2,0,0,0,0|0,0,0]=2 12786 B13R1.369 [13CH3]OCCOc1ccc(cc1Cl)Cl 34a_200000205304_200025704644 [0,2,0,0,0,0|0,0,0]=2 12787 B13R1.369 [13CH3]OCCOc1ccc(cc1Cl)Cl 7a_200000205304_200025704644 [0,2,0,0,0,0|0,0,0]=2 12788 B13R1.369 [13CH3]OCCOc1ccc(cc1N)N 34a_100016991323_200025704644 [0,2,0,0,0,0|1,0,0]=3 12789 B13R1.369 [13CH3]OCCSc1ccc(cc1Cl)Cl 34a_200010001942_200025704644 [0,2,0,0,0,0|0,1,0]=3 12790 B13R1.369 [13CH3]OCCSc1ccc(cc1Cl)Cl 7a_200010001942_200025704644 [0,2,0,0,0,0|0,1,0]=3 12791 B13R1.369 [13CH3]OCCSc1ccc(cc1F)F 34a_200000204339_200025704644 [0,2,0,0,0,0|0,2,0]=4 12792 B13R1.369 [13CH3]OCCSc1ccc(cc1F)F 7a_200000204339_200025704644 [0,2,0,0,0,0|0,2,0]=4 12793 B13R1.369 [13CH3]SCCOc1ccc(cc1Br)Cl 62a_100000199037_200025704644 [0,2,0,0,0,0|0,1,0]=3 12794 B13R1.369 [13CH3]SCCOc1ccc(cc1Br)Cl 62a_200025704644_100000199037 [0,2,0,0,0,0|0,1,0]=3 12795 B13R1.369 [13CH3]SCCOc1ccc(cc1Cl)Cl 62a_100000184432_200025704644 [0,2,0,0,0,0|0,1,0]=3 12796 B13R1.369 [13CH3]SCCOc1ccc(cc1Cl)Cl 62a_200025704644_100000184432 [0,2,0,0,0,0|0,1,0]=3 12797 B13R1.371 C#CCCOc1ccc(cc1)C#N 34a_100000210344_100000688953 [0,2,0,0,0,0|2,0,0]=4 12798 B13R1.371 C#CCCOc1ccc(cc1)C#N 7a_100000210344_100000688953 [0,2,0,0,0,0|2,0,0]=4 12799 B13R1.371 C#CCCOc1ccc(cc1)C=C 34a_100000189437_100000688953 [0,2,0,0,0,0|2,0,0]=4 12800 B13R1.371 C#CCCOc1ccc(cc1)C=C 7a_100000189437_100000688953 [0,2,0,0,0,0|2,0,0]=4 12801 B13R1.371 C#CCCOc1ccc(cc1)CC 34a_100000211359_100000688953 [0,2,0,0,0,0|2,0,0]=4 12802 B13R1.371 C#CCCOc1ccc(cc1)CC 7a_100000211359_100000688953 [0,2,0,0,0,0|2,0,0]=4 12803 B13R1.371 C#CCCOc1ccc(cc1)CN 34a_100000185549_100000688953 [0,2,0,0,0,0|2,0,0]=4 12804 B13R1.371 C#CCCOc1ccc(cc1)CO 34a_100000211755_100000688953 [0,2,0,0,0,0|2,0,0]=4 12805 B13R1.371 C#CCCOc1ccc(cc1)NC 34a_100000182112_100000688953 [0,2,0,0,0,0|2,0,0]=4 12806 B13R1.371 C#CCCOc1ccc(cc1)OC 34a_100000210503_100000688953 [0,2,0,0,0,0|2,0,0]=4 12807 B13R1.371 C#CCCOc1ccc(cc1)SC 34a_100000211864_100000688953 [0,2,0,0,0,0|2,0,0]=4 12808 B13R1.371 C#CCOCc1ccc(cc1)CCl 34a_100000067286_100000184674 [0,2,0,0,0,0|1,0,1]=4 12809 B13R1.371 C#CCOCc1ccc(cc1)CCl 7a_100000067286_100000038162 [0,2,0,0,0,0|1,0,1]=4 12810 B13R1.371 C#Cc1ccc(cc1)CNCCO 207a_100000210304_100011361452 [0,2,0,0,0,0|2,0,0]=4 12811 B13R1.371 C#Cc1ccc(cc1)CNCCO 2230a_100015199678_100000211926 [0,2,0,0,0,0|2,0,0]=4 12812 B13R1.371 C#Cc1ccc(cc1)CNCCO 2230a_100016997473_100000140223 [0,2,0,0,0,0|2,0,0]=4 12813 B13R1.371 C#Cc1ccc(cc1)CNCCO 270004a_100000210304_100011361452 [0,2,0,0,0,0|2,0,0]=4 12814 B13R1.371 C#Cc1ccc(cc1)CNCCO 34a_100015199678_100000211926 [0,2,0,0,0,0|2,0,0]=4 12815 B13R1.371 C#Cc1ccc(cc1)CNCCO 34a_100016990907_100000140223 [0,2,0,0,0,0|2,0,0]=4 12816 B13R1.371 C#Cc1ccc(cc1)COCCBr 34a_100000211926_100000140223 [0,2,0,0,0,0|2,0,0]=4 12817 B13R1.371 C#Cc1ccc(cc1)COCCC 34a_100000054647_100000210303 [0,2,0,0,0,0|2,0,0]=4 12818 B13R1.371 C#Cc1ccc(cc1)COCCC 34a_100000210258_100000140223 [0,2,0,0,0,0|2,0,0]=4 12819 B13R1.371 C#Cc1ccc(cc1)COCCC 7a_100000054647_100000210303 [0,2,0,0,0,0|2,0,0]=4 12820 B13R1.371 C#Cc1ccc(cc1)COCCF 34a_100000054647_100011217306 [0,2,0,0,0,0|2,0,0]=4 12821 B13R1.371 C#Cc1ccc(cc1)COCCF 7a_100000054647_100011217306 [0,2,0,0,0,0|2,0,0]=4 12822 B13R1.371 C#Cc1ccc(cc1)COCCN 34a_100000210304_100000140223 [0,2,0,0,0,0|2,0,0]=4 12823 B13R1.371 C#Cc1ccc(cc1)COCCO 34a_100000054647_100000211926 [0,2,0,0,0,0|1,0,0]=3 12824 B13R1.371 C#Cc1ccc(cc1)COCCO 7a_100000054647_100000211926 [0,2,0,0,0,0|1,0,0]=3 12825 B13R1.371 C#Cc1ccc(cc1)CSCCO 62a_100000211926_100000140223 [0,2,0,0,0,0|1,1,0]=4 12826 B13R1.371 C#Cc1ccc(cc1)NCCCO 34a_100011215031_100000230001 [0,2,0,0,0,0|2,0,0]=4 12827 B13R1.371 C#Cc1ccc(cc1)NCCOC 34a_100011215031_100011201679 [0,2,0,0,0,0|2,0,0]=4 12828 B13R1.371 C#Cc1ccc(nc1)OCCCO 34a_200009884252_100000230001 [0,2,0,0,0,0|2,0,0]=4 12829 B13R1.371 C#Cc1ccc(nc1)OCCOC 34a_200009884252_100011201679 [0,2,0,0,0,0|2,0,0]=4 12830 B13R1.371 C=CCCOc1ccc(cc1)C#N 34a_100000210344_100000754431 [0,2,0,0,0,0|2,0,0]=4 12831 B13R1.371 C=CCCOc1ccc(cc1)C#N 7a_100000210344_100000754431 [0,2,0,0,0,0|2,0,0]=4 12832 B13R1.371 C=CCCOc1ccc(cc1)C=C 271570a_100011290941_100012049633 [0,2,0,0,0,0|2,0,0]=4 12833 B13R1.371 C=CCCOc1ccc(cc1)C=C 34a_100000189437_100000754431 [0,2,0,0,0,0|2,0,0]=4 12834 B13R1.371 C=CCCOc1ccc(cc1)C=C 7a_100000189437_100000754431 [0,2,0,0,0,0|2,0,0]=4 12835 B13R1.371 C=CCCOc1ccc(cc1)CC 34a_100000211359_100000754431 [0,2,0,0,0,0|2,0,0]=4 12836 B13R1.371 C=CCCOc1ccc(cc1)CC 7a_100000211359_100000754431 [0,2,0,0,0,0|2,0,0]=4 12837 B13R1.371 C=CCCOc1ccc(cc1)CN 34a_100000185549_100000754431 [0,2,0,0,0,0|2,0,0]=4 12838 B13R1.371 C=CCCOc1ccc(cc1)CO 34a_100000211755_100000754431 [0,2,0,0,0,0|2,0,0]=4 12839 B13R1.371 C=CCCOc1ccc(cc1)NC 34a_100000182112_100000754431 [0,2,0,0,0,0|2,0,0]=4 12840 B13R1.371 C=CCCOc1ccc(cc1)OC 34a_100000210503_100000754431 [0,2,0,0,0,0|2,0,0]=4 12841 B13R1.371 C=CCCOc1ccc(cc1)SC 34a_100000211864_100000754431 [0,2,0,0,0,0|2,0,0]=4 12842 B13R1.371 C=CCCOc1ccc(cc1)SC 62a_100012049633_200000210301 [0,2,0,0,0,0|2,0,0]=4 12843 B13R1.371 C=CCCOc1ccc(cc1)SC 62a_200000210301_100012049633 [0,2,0,0,0,0|2,0,0]=4 12844 B13R1.371 C=CCCOc1ccc(cc1)S[13CH3] 62a_100012049633_200025704644 [0,2,0,0,0,0|2,0,0]=4 12845 B13R1.371 C=CCCOc1ccc(cc1)S[13CH3] 62a_200025704644_100012049633 [0,2,0,0,0,0|2,0,0]=4 12846 B13R1.371 C=CCOCc1ccc(cc1)CCl 34a_100000067286_100015514636 [0,2,0,0,0,0|1,0,1]=4 12847 B13R1.371 C=CCOCc1ccc(cc1)CCl 7a_100000067286_100015514636 [0,2,0,0,0,0|1,0,1]=4 12848 B13R1.371 C=Cc1ccc(cc1)CNCCO 2230a_100016997473_100000034074 [0,2,0,0,0,0|2,0,0]=4 12849 B13R1.371 C=Cc1ccc(cc1)CNCCO 270004a_100000210304_100011361436 [0,2,0,0,0,0|2,0,0]=4 12850 B13R1.371 C=Cc1ccc(cc1)CNCCO 271570a_100011290941_100000186819 [0,2,0,0,0,0|2,0,0]=4 12851 B13R1.371 C=Cc1ccc(cc1)CNCCO 34a_100016990907_100000034074 [0,2,0,0,0,0|2,0,0]=4 12852 B13R1.371 C=Cc1ccc(cc1)CNCCO 34a_200011934891_100000211926 [0,2,0,0,0,0|2,0,0]=4 12853 B13R1.371 C=Cc1ccc(cc1)COCCBr 34a_100000211926_100000034074 [0,2,0,0,0,0|2,0,0]=4 12854 B13R1.371 C=Cc1ccc(cc1)COCCC 34a_100000073583_100000210303 [0,2,0,0,0,0|2,0,0]=4 12855 B13R1.371 C=Cc1ccc(cc1)COCCC 34a_100000210258_100000034074 [0,2,0,0,0,0|2,0,0]=4 12856 B13R1.371 C=Cc1ccc(cc1)COCCC 7a_100000073583_100000210303 [0,2,0,0,0,0|2,0,0]=4 12857 B13R1.371 C=Cc1ccc(cc1)COCCF 34a_100000073583_100011217306 [0,2,0,0,0,0|2,0,0]=4 12858 B13R1.371 C=Cc1ccc(cc1)COCCF 7a_100000073583_100011217306 [0,2,0,0,0,0|2,0,0]=4 12859 B13R1.371 C=Cc1ccc(cc1)COCCN 34a_100000210304_100000034074 [0,2,0,0,0,0|2,0,0]=4 12860 B13R1.371 C=Cc1ccc(cc1)COCCO 34a_100000073583_100000211926 [0,2,0,0,0,0|1,0,0]=3 12861 B13R1.371 C=Cc1ccc(cc1)COCCO 7a_100000073583_100000211926 [0,2,0,0,0,0|1,0,0]=3 12862 B13R1.371 C=Cc1ccc(cc1)CSCCO 62a_100000034074_100000211926 [0,2,0,0,0,0|1,1,0]=4 12863 B13R1.371 C=Cc1ccc(cc1)CSCCO 62a_100000211926_100000034074 [0,2,0,0,0,0|1,1,0]=4 12864 B13R1.371 C=Cc1ccc(cc1)NCCCO 34a_100011218248_100000230001 [0,2,0,0,0,0|2,0,0]=4 12865 B13R1.371 C=Cc1ccc(cc1)NCCOC 34a_100011218248_100011201679 [0,2,0,0,0,0|2,0,0]=4 12866 B13R1.371 C=Cc1ccc(cc1)OCCC#N 271570a_100011290941_100000172056 [0,2,0,0,0,0|2,0,0]=4 12867 B13R1.371 C=Cc1ccc(cc1)OCCC#N 7a_100000189437_100000184422 [0,2,0,0,0,0|2,0,0]=4 12868 B13R1.371 C=Cc1ccc(cc1)OCCCC 271570a_100011290941_100000230682 [0,2,0,0,0,0|2,0,0]=4 12869 B13R1.371 C=Cc1ccc(cc1)OCCCC 34a_100000189437_100000210210 [0,2,0,0,0,0|2,0,0]=4 12870 B13R1.371 C=Cc1ccc(cc1)OCCCC 7a_100000189437_100000210211 [0,2,0,0,0,0|2,0,0]=4 12871 B13R1.371 C=Cc1ccc(cc1)OCCCF 34a_100000189437_100011934791 [0,2,0,0,0,0|2,0,0]=4 12872 B13R1.371 C=Cc1ccc(cc1)OCCCF 7a_100000189437_100011934791 [0,2,0,0,0,0|2,0,0]=4 12873 B13R1.371 C=Cc1ccc(cc1)OCCCO 271570a_100011290941_100000756186 [0,2,0,0,0,0|1,0,0]=3 12874 B13R1.371 C=Cc1ccc(cc1)OCCCO 34a_100000189437_100000230001 [0,2,0,0,0,0|1,0,0]=3 12875 B13R1.371 C=Cc1ccc(cc1)OCCCO 7a_100000189437_100011215043 [0,2,0,0,0,0|1,0,0]=3 12876 B13R1.371 C=Cc1ccc(cc1)OCCOC 271570a_100011290941_100000234135 [0,2,0,0,0,0|1,0,0]=3 12877 B13R1.371 C=Cc1ccc(cc1)OCCOC 34a_100000189437_100011201679 [0,2,0,0,0,0|1,0,0]=3 12878 B13R1.371 C=Cc1ccc(cc1)OCCOC 7a_100000189437_100000233755 [0,2,0,0,0,0|1,0,0]=3 12879 B13R1.371 C=Cc1ccc(cc1)OCCSC 34a_100000189437_100000212216 [0,2,0,0,0,0|1,1,0]=4 12880 B13R1.371 C=Cc1ccc(cc1)OCCSC 7a_100000189437_100000212216 [0,2,0,0,0,0|1,1,0]=4 12881 B13R1.371 C=Cc1ccc(cc1)SCCCO 62a_100000748128_100011215043 [0,2,0,0,0,0|1,1,0]=4 12882 B13R1.371 C=Cc1ccc(cc1)SCCCO 62a_100011215043_100000748128 [0,2,0,0,0,0|1,1,0]=4 12883 B13R1.371 C=Cc1ccc(cc1)SCCOC 271570a_100011290941_200009813259 [0,2,0,0,0,0|1,1,0]=4 12884 B13R1.371 C=Cc1ccc(cc1)SCCOC 62a_100000233755_100000748128 [0,2,0,0,0,0|1,1,0]=4 12885 B13R1.371 C=Cc1ccc(cc1)SCCOC 62a_100000748128_100000233755 [0,2,0,0,0,0|1,1,0]=4 12886 B13R1.371 C=Cc1ccc(nc1)OCCOC 271570a_100011290941_100000758753 [0,2,0,0,0,0|2,0,0]=4 12887 B13R1.371 CCCCOc1ccc(cc1)C#N 34a_100000210344_100000210210 [0,2,0,0,0,0|2,0,0]=4 12888 B13R1.371 CCCCOc1ccc(cc1)C#N 7a_100000210344_100000210211 [0,2,0,0,0,0|2,0,0]=4 12889 B13R1.371 CCCCOc1ccc(cc1)CC 34a_100000211359_100000210210 [0,2,0,0,0,0|2,0,0]=4 12890 B13R1.371 CCCCOc1ccc(cc1)CC 7a_100000211359_100000210211 [0,2,0,0,0,0|2,0,0]=4 12891 B13R1.371 CCCCOc1ccc(cc1)CN 34a_100000185549_100000210210 [0,2,0,0,0,0|2,0,0]=4 12892 B13R1.371 CCCCOc1ccc(cc1)CO 34a_100000211755_100000210210 [0,2,0,0,0,0|2,0,0]=4 12893 B13R1.371 CCCCOc1ccc(cc1)NC 2230a_100011194258_200000210301 [0,2,0,0,0,0|2,0,0]=4 12894 B13R1.371 CCCCOc1ccc(cc1)NC 34a_100000182112_100000210210 [0,2,0,0,0,0|2,0,0]=4 12895 B13R1.371 CCCCOc1ccc(cc1)NC 34a_100011194258_200000210301 [0,2,0,0,0,0|2,0,0]=4 12896 B13R1.371 CCCCOc1ccc(cc1)N[13CH3] 2230a_100011194258_200025704644 [0,2,0,0,0,0|2,0,0]=4 12897 B13R1.371 CCCCOc1ccc(cc1)N[13CH3] 34a_100011194258_200025704644 [0,2,0,0,0,0|2,0,0]=4 12898 B13R1.371 CCCCOc1ccc(cc1)OC 34a_100000210503_100000210210 [0,2,0,0,0,0|2,0,0]=4 12899 B13R1.371 CCCCOc1ccc(cc1)OC 34a_100011215020_200000210301 [0,2,0,0,0,0|2,0,0]=4 12900 B13R1.371 CCCCOc1ccc(cc1)OC 7a_100011215020_200000210301 [0,2,0,0,0,0|2,0,0]=4 12901 B13R1.371 CCCCOc1ccc(cc1)O[13CH3] 34a_100011215020_200025704644 [0,2,0,0,0,0|2,0,0]=4 12902 B13R1.371 CCCCOc1ccc(cc1)O[13CH3] 7a_100011215020_200025704644 [0,2,0,0,0,0|2,0,0]=4 12903 B13R1.371 CCCCOc1ccc(cc1)SC 34a_100000211864_100000210210 [0,2,0,0,0,0|2,0,0]=4 12904 B13R1.371 CCCCOc1ccc(cc1)SC 62a_200000210301_100000230682 [0,2,0,0,0,0|2,0,0]=4 12905 B13R1.371 CCCCOc1ccc(cc1)S[13CH3] 62a_200025704644_100000230682 [0,2,0,0,0,0|2,0,0]=4 12906 B13R1.371 CCCNN=C1C=CC(=NCl)C=C1 4a_100000740057_100000088476 [0,2,0,0,0,0|2,0,0]=4 12907 B13R1.371 CCCOCc1ccc(cc1)C#N 34a_100000210258_100000184898 [0,2,0,0,0,0|2,0,0]=4 12908 B13R1.371 CCCOCc1ccc(cc1)C#N 34a_100000238739_100000210303 [0,2,0,0,0,0|2,0,0]=4 12909 B13R1.371 CCCOCc1ccc(cc1)C#N 7a_100000238739_100000210303 [0,2,0,0,0,0|2,0,0]=4 12910 B13R1.371 CCCOCc1ccc(cc1)C=O 34a_100000210258_100009816848 [0,2,0,0,0,0|2,0,0]=4 12911 B13R1.371 CCCOCc1ccc(cc1)CBr 34a_100012353999_100000210303 [0,2,0,0,0,0|1,1,0]=4 12912 B13R1.371 CCCOCc1ccc(cc1)CBr 7a_100012353999_100000210303 [0,2,0,0,0,0|1,1,0]=4 12913 B13R1.371 CCCOCc1ccc(cc1)CC 34a_100000210258_100000747183 [0,2,0,0,0,0|2,0,0]=4 12914 B13R1.371 CCCOCc1ccc(cc1)CC 34a_100000702245_100000210303 [0,2,0,0,0,0|2,0,0]=4 12915 B13R1.371 CCCOCc1ccc(cc1)CC 7a_100000702245_100000210303 [0,2,0,0,0,0|2,0,0]=4 12916 B13R1.371 CCCOCc1ccc(cc1)CCl 34a_100000067286_100000210303 [0,2,0,0,0,0|1,0,0]=3 12917 B13R1.371 CCCOCc1ccc(cc1)CCl 7a_100000067286_100000210303 [0,2,0,0,0,0|1,0,0]=3 12918 B13R1.371 CCCOCc1ccc(cc1)CN 34a_100015189231_100000210303 [0,2,0,0,0,0|2,0,0]=4 12919 B13R1.371 CCCOCc1ccc(cc1)CO 34a_100000210258_100000067286 [0,2,0,0,0,0|2,0,0]=4 12920 B13R1.371 CCCOCc1ccc(cc1)OC 34a_100000173359_100000210303 [0,2,0,0,0,0|2,0,0]=4 12921 B13R1.371 CCCOCc1ccc(cc1)OC 34a_100000210258_100000742318 [0,2,0,0,0,0|2,0,0]=4 12922 B13R1.371 CCCOCc1ccc(cc1)SC 34a_100000210258_100000181263 [0,2,0,0,0,0|2,0,0]=4 12923 B13R1.371 CCCOCc1ccc(cc1)SC 34a_100011215404_100000210303 [0,2,0,0,0,0|2,0,0]=4 12924 B13R1.371 CCCOCc1ccc(cc1)SC 7a_100011215404_100000210303 [0,2,0,0,0,0|2,0,0]=4 12925 B13R1.371 CCc1ccc(cc1)CNCCO 207a_100000210304_100000211036 [0,2,0,0,0,0|2,0,0]=4 12926 B13R1.371 CCc1ccc(cc1)CNCCO 2230a_100000721222_100000211926 [0,2,0,0,0,0|2,0,0]=4 12927 B13R1.371 CCc1ccc(cc1)CNCCO 2230a_100016997473_100000747183 [0,2,0,0,0,0|2,0,0]=4 12928 B13R1.371 CCc1ccc(cc1)CNCCO 270004a_100000210304_100000211036 [0,2,0,0,0,0|2,0,0]=4 12929 B13R1.371 CCc1ccc(cc1)CNCCO 34a_100000721222_100000211926 [0,2,0,0,0,0|2,0,0]=4 12930 B13R1.371 CCc1ccc(cc1)CNCCO 34a_100016990907_100000747183 [0,2,0,0,0,0|2,0,0]=4 12931 B13R1.371 CCc1ccc(cc1)COCCBr 34a_100000211926_100000747183 [0,2,0,0,0,0|2,0,0]=4 12932 B13R1.371 CCc1ccc(cc1)COCCF 34a_100000702245_100011217306 [0,2,0,0,0,0|2,0,0]=4 12933 B13R1.371 CCc1ccc(cc1)COCCF 7a_100000702245_100011217306 [0,2,0,0,0,0|2,0,0]=4 12934 B13R1.371 CCc1ccc(cc1)COCCN 34a_100000210304_100000747183 [0,2,0,0,0,0|2,0,0]=4 12935 B13R1.371 CCc1ccc(cc1)COCCO 34a_100000702245_100000211926 [0,2,0,0,0,0|1,0,0]=3 12936 B13R1.371 CCc1ccc(cc1)COCCO 7a_100000702245_100000211926 [0,2,0,0,0,0|1,0,0]=3 12937 B13R1.371 CCc1ccc(cc1)CSCCO 62a_100000211926_100000747183 [0,2,0,0,0,0|1,1,0]=4 12938 B13R1.371 CCc1ccc(cc1)CSCCO 62a_100000757233_100000211926 [0,2,0,0,0,0|1,1,0]=4 12939 B13R1.371 CCc1ccc(cc1)NCCCO 2230a_100000211069_100000230001 [0,2,0,0,0,0|2,0,0]=4 12940 B13R1.371 CCc1ccc(cc1)NCCCO 34a_100000211069_100000230001 [0,2,0,0,0,0|2,0,0]=4 12941 B13R1.371 CCc1ccc(cc1)NCCOC 2230a_100000211069_100011201679 [0,2,0,0,0,0|2,0,0]=4 12942 B13R1.371 CCc1ccc(cc1)NCCOC 34a_100000211069_100011201679 [0,2,0,0,0,0|2,0,0]=4 12943 B13R1.371 CCc1ccc(cc1)OCCC#N 7a_100000211359_100000184422 [0,2,0,0,0,0|2,0,0]=4 12944 B13R1.371 CCc1ccc(cc1)OCCCF 34a_100000211359_100011934791 [0,2,0,0,0,0|2,0,0]=4 12945 B13R1.371 CCc1ccc(cc1)OCCCF 7a_100000211359_100011934791 [0,2,0,0,0,0|2,0,0]=4 12946 B13R1.371 CCc1ccc(cc1)OCCCO 34a_100000211359_100000230001 [0,2,0,0,0,0|1,0,0]=3 12947 B13R1.371 CCc1ccc(cc1)OCCCO 7a_100000211359_100011215043 [0,2,0,0,0,0|1,0,0]=3 12948 B13R1.371 CCc1ccc(cc1)OCCOC 34a_100000211359_100011201679 [0,2,0,0,0,0|1,0,0]=3 12949 B13R1.371 CCc1ccc(cc1)OCCOC 7a_100000211359_100000233755 [0,2,0,0,0,0|1,0,0]=3 12950 B13R1.371 CCc1ccc(cc1)OCCSC 34a_100000211359_100000212216 [0,2,0,0,0,0|1,1,0]=4 12951 B13R1.371 CCc1ccc(cc1)OCCSC 7a_100000211359_100000212216 [0,2,0,0,0,0|1,1,0]=4 12952 B13R1.371 CCc1ccc(cc1)SCCCO 62a_100011215043_100011215824 [0,2,0,0,0,0|1,1,0]=4 12953 B13R1.371 CCc1ccc(cc1)SCCCO 62a_100011215824_100011215043 [0,2,0,0,0,0|1,1,0]=4 12954 B13R1.371 CCc1ccc(cc1)SCCOC 62a_100000233755_100011215824 [0,2,0,0,0,0|1,1,0]=4 12955 B13R1.371 CCc1ccc(cc1)SCCOC 62a_100011215824_100000233755 [0,2,0,0,0,0|1,1,0]=4 12956 B13R1.371 CCc1ccc(nc1)COCCO 34a_100000068455_100000211926 [0,2,0,0,0,0|2,0,0]=4 12957 B13R1.371 CNCCOc1ccc(cc1)C#N 2230a_106832991635_100000184558 [0,2,0,0,0,0|2,0,0]=4 12958 B13R1.371 CNCCOc1ccc(cc1)C#N 34a_100000759831_200000210301 [0,2,0,0,0,0|2,0,0]=4 12959 B13R1.371 CNCCOc1ccc(cc1)C#N 34a_100102657272_100000184558 [0,2,0,0,0,0|2,0,0]=4 12960 B13R1.371 CNCCOc1ccc(cc1)C#N 7a_106832991635_100000184558 [0,2,0,0,0,0|2,0,0]=4 12961 B13R1.371 CNCCOc1ccc(cc1)C=O 2230a_106832991635_100000040479 [0,2,0,0,0,0|2,0,0]=4 12962 B13R1.371 CNCCOc1ccc(cc1)C=O 34a_100102657272_100000040479 [0,2,0,0,0,0|2,0,0]=4 12963 B13R1.371 CNCCOc1ccc(cc1)C=O 7a_106832991635_100000040479 [0,2,0,0,0,0|2,0,0]=4 12964 B13R1.371 CNCCOc1ccc(cc1)OC 2230a_100000174941_200000210301 [0,2,0,0,0,0|2,0,0]=4 12965 B13R1.371 CNCCOc1ccc(cc1)OC 2230a_106832991635_100000183225 [0,2,0,0,0,0|2,0,0]=4 12966 B13R1.371 CNCCOc1ccc(cc1)OC 34a_100000174941_200000210301 [0,2,0,0,0,0|2,0,0]=4 12967 B13R1.371 CNCCOc1ccc(cc1)OC 34a_100102657272_100000183225 [0,2,0,0,0,0|2,0,0]=4 12968 B13R1.371 CNCCOc1ccc(cc1)OC 7a_106832991635_100000183225 [0,2,0,0,0,0|2,0,0]=4 12969 B13R1.371 CNCCOc1ccc(cc1)SC 2230a_100011893652_200000210301 [0,2,0,0,0,0|2,0,0]=4 12970 B13R1.371 CNCCOc1ccc(cc1)SC 34a_100011893652_200000210301 [0,2,0,0,0,0|2,0,0]=4 12971 B13R1.371 CNc1ccc(cc1)OCCCF 34a_100000182112_100011934791 [0,2,0,0,0,0|2,0,0]=4 12972 B13R1.371 CNc1ccc(cc1)OCCCO 2230a_100000730458_200000210301 [0,2,0,0,0,0|1,0,0]=3 12973 B13R1.371 CNc1ccc(cc1)OCCCO 34a_100000182112_100000230001 [0,2,0,0,0,0|1,0,0]=3 12974 B13R1.371 CNc1ccc(cc1)OCCCO 34a_100000730458_200000210301 [0,2,0,0,0,0|1,0,0]=3 12975 B13R1.371 CNc1ccc(cc1)OCCOC 2230a_100000739146_200000210301 [0,2,0,0,0,0|1,0,0]=3 12976 B13R1.371 CNc1ccc(cc1)OCCOC 34a_100000182112_100011201679 [0,2,0,0,0,0|1,0,0]=3 12977 B13R1.371 CNc1ccc(cc1)OCCOC 34a_100000739146_200000210301 [0,2,0,0,0,0|1,0,0]=3 12978 B13R1.371 CNc1ccc(cc1)OCCSC 34a_100000182112_100000212216 [0,2,0,0,0,0|1,1,0]=4 12979 B13R1.371 CNc1ccc(cc1)SCCCO 62a_100000743151_100011215043 [0,2,0,0,0,0|1,1,0]=4 12980 B13R1.371 CNc1ccc(cc1)SCCCO 62a_100011215043_100000743151 [0,2,0,0,0,0|1,1,0]=4 12981 B13R1.371 CNc1ccc(cc1)SCCOC 62a_100000233755_100000743151 [0,2,0,0,0,0|1,1,0]=4 12982 B13R1.371 CNc1ccc(cc1)SCCOC 62a_100000743151_100000233755 [0,2,0,0,0,0|1,1,0]=4 12983 B13R1.371 COCCCc1ccc(cc1)C#N 34a_100000090602_200000210301 [0,2,0,0,0,0|2,0,0]=4 12984 B13R1.371 COCCCc1ccc(cc1)C#N 7a_100000090602_200000210301 [0,2,0,0,0,0|2,0,0]=4 12985 B13R1.371 COCCCc1ccc(cc1)OC 34a_100011215180_200000210301 [0,2,0,0,0,0|2,0,0]=4 12986 B13R1.371 COCCCc1ccc(cc1)OC 7a_100011215180_200000210301 [0,2,0,0,0,0|2,0,0]=4 12987 B13R1.371 COCCNc1ccc(cc1)C#N 34a_100000185469_100011201679 [0,2,0,0,0,0|2,0,0]=4 12988 B13R1.371 COCCNc1ccc(cc1)CN 34a_102495363707_200000210301 [0,2,0,0,0,0|2,0,0]=4 12989 B13R1.371 COCCNc1ccc(cc1)CO 2230a_100011215238_100011201679 [0,2,0,0,0,0|2,0,0]=4 12990 B13R1.371 COCCNc1ccc(cc1)CO 34a_100011215238_100011201679 [0,2,0,0,0,0|2,0,0]=4 12991 B13R1.371 COCCNc1ccc(cc1)OC 34a_100000184247_100011201679 [0,2,0,0,0,0|2,0,0]=4 12992 B13R1.371 COCCNc1ccc(cc1)SC 34a_100000212337_100011201679 [0,2,0,0,0,0|2,0,0]=4 12993 B13R1.371 COCCOc1ccc(cc1)C#N 34a_100000210344_100011201679 [0,2,0,0,0,0|1,0,0]=3 12994 B13R1.371 COCCOc1ccc(cc1)C#N 34a_100000230533_200000210301 [0,2,0,0,0,0|1,0,0]=3 12995 B13R1.371 COCCOc1ccc(cc1)C#N 34a_100138415774_100000184558 [0,2,0,0,0,0|1,0,0]=3 12996 B13R1.371 COCCOc1ccc(cc1)C#N 7a_100000210344_100000233755 [0,2,0,0,0,0|1,0,0]=3 12997 B13R1.371 COCCOc1ccc(cc1)C#N 7a_100000230533_200000210301 [0,2,0,0,0,0|1,0,0]=3 12998 B13R1.371 COCCOc1ccc(cc1)C=O 34a_100138415774_100000040479 [0,2,0,0,0,0|1,0,0]=3 12999 B13R1.371 COCCOc1ccc(cc1)CN 34a_100000185549_100011201679 [0,2,0,0,0,0|1,0,0]=3 13000 B13R1.371 COCCOc1ccc(cc1)CO 34a_100000211755_100011201679 [0,2,0,0,0,0|1,0,0]=3 13001 B13R1.371 COCCOc1ccc(cc1)N[13CH3] 2230a_100000739146_200025704644 [0,2,0,0,0,0|1,0,0]=3 13002 B13R1.371 COCCOc1ccc(cc1)N[13CH3] 34a_100000739146_200025704644 [0,2,0,0,0,0|1,0,0]=3 13003 B13R1.371 COCCOc1ccc(cc1)OC 34a_100000210503_100011201679 [0,2,0,0,0,0|1,0,0]=3 13004 B13R1.371 COCCOc1ccc(cc1)OC 34a_100000726821_200000210301 [0,2,0,0,0,0|1,0,0]=3 13005 B13R1.371 COCCOc1ccc(cc1)OC 34a_100138415774_100000183225 [0,2,0,0,0,0|1,0,0]=3 13006 B13R1.371 COCCOc1ccc(cc1)OC 34a_200011305860_200000210301 [0,2,0,0,0,0|1,0,0]=3 13007 B13R1.371 COCCOc1ccc(cc1)O[13CH3] 34a_100000726821_200025704644 [0,2,0,0,0,0|1,0,0]=3 13008 B13R1.371 COCCOc1ccc(cc1)SC 34a_100000211864_100011201679 [0,2,0,0,0,0|1,0,0]=3 13009 B13R1.371 COCCOc1ccc(cc1)SC 62a_100000234135_200000210301 [0,2,0,0,0,0|1,0,0]=3 13010 B13R1.371 COCCOc1ccc(cc1)SC 62a_200000210301_100000234135 [0,2,0,0,0,0|1,0,0]=3 13011 B13R1.371 COCCOc1ccc(cc1)S[13CH3] 62a_100000234135_200025704644 [0,2,0,0,0,0|1,0,0]=3 13012 B13R1.371 COCCOc1ccc(cc1)S[13CH3] 62a_200025704644_100000234135 [0,2,0,0,0,0|1,0,0]=3 13013 B13R1.371 COCCOc1ccc(cn1)CN 34a_100000757128_100011201679 [0,2,0,0,0,0|2,0,0]=4 13014 B13R1.371 COCCOc1ccc(cn1)OC 34a_100012002028_100011201679 [0,2,0,0,0,0|2,0,0]=4 13015 B13R1.371 COCCOc1ccc(cn1)SC 62a_100000758753_200000210301 [0,2,0,0,0,0|2,0,0]=4 13016 B13R1.371 COCCOc1ccc(cn1)SC 62a_200000210301_100000758753 [0,2,0,0,0,0|2,0,0]=4 13017 B13R1.371 COCCOc1ccc(cn1)S[13CH3] 62a_100000758753_200025704644 [0,2,0,0,0,0|2,0,0]=4 13018 B13R1.371 COCCOc1ccc(cn1)S[13CH3] 62a_200025704644_100000758753 [0,2,0,0,0,0|2,0,0]=4 13019 B13R1.371 COCCOc1ccc(nc1)C#N 34a_100011934750_100011201679 [0,2,0,0,0,0|2,0,0]=4 13020 B13R1.371 COCCOc1ccc(nc1)C#N 7a_100011934750_100000233755 [0,2,0,0,0,0|2,0,0]=4 13021 B13R1.371 COCCOc1ccc(nc1)CN 34a_100020605196_100011201679 [0,2,0,0,0,0|2,0,0]=4 13022 B13R1.371 COCCOc1ccc(nc1)CO 34a_103436540053_100011201679 [0,2,0,0,0,0|2,0,0]=4 13023 B13R1.371 COCCOc1ccc(nc1)OC 34a_100011934560_100011201679 [0,2,0,0,0,0|2,0,0]=4 13024 B13R1.371 COCCSc1ccc(cc1)C#N 62a_100000233755_100000184291 [0,2,0,0,0,0|1,1,0]=4 13025 B13R1.371 COCCSc1ccc(cc1)C=O 62a_100000188517_100000233755 [0,2,0,0,0,0|1,1,0]=4 13026 B13R1.371 COCCSc1ccc(cc1)C=O 62a_100000233755_100000188517 [0,2,0,0,0,0|1,1,0]=4 13027 B13R1.371 COCCSc1ccc(cc1)CF 62a_100000233755_100010268989 [0,2,0,0,0,0|0,2,0]=4 13028 B13R1.371 COCCSc1ccc(cc1)CF 62a_100010268989_100000233755 [0,2,0,0,0,0|0,2,0]=4 13029 B13R1.371 COCCSc1ccc(cc1)CN 62a_100000233755_100016989417 [0,2,0,0,0,0|1,1,0]=4 13030 B13R1.371 COCCSc1ccc(cc1)CN 62a_100016989417_100000233755 [0,2,0,0,0,0|1,1,0]=4 13031 B13R1.371 COCCSc1ccc(cc1)CO 62a_100000233755_100000690907 [0,2,0,0,0,0|1,1,0]=4 13032 B13R1.371 COCCSc1ccc(cc1)CO 62a_100000690907_100000233755 [0,2,0,0,0,0|1,1,0]=4 13033 B13R1.371 COCCSc1ccc(cc1)NN 62a_100000233755_100016988836 [0,2,0,0,0,0|1,1,0]=4 13034 B13R1.371 COCCSc1ccc(cc1)NN 62a_100016988836_100000233755 [0,2,0,0,0,0|1,1,0]=4 13035 B13R1.371 COCCSc1ccc(cc1)OC 62a_100000233755_100000171711 [0,2,0,0,0,0|1,1,0]=4 13036 B13R1.371 COCCSc1ccc(cc1)SC 62a_100000233755_100011263217 [0,2,0,0,0,0|1,1,0]=4 13037 B13R1.371 COCCSc1ccc(cc1)SC 62a_100011263217_100000233755 [0,2,0,0,0,0|1,1,0]=4 13038 B13R1.371 COCCSc1ccc(cc1)SC 62a_200000210301_200009813259 [0,2,0,0,0,0|1,1,0]=4 13039 B13R1.371 COCCSc1ccc(cc1)SC 62a_200009813259_200000210301 [0,2,0,0,0,0|1,1,0]=4 13040 B13R1.371 COCCSc1ccc(cc1)S[13CH3] 62a_200009813259_200025704644 [0,2,0,0,0,0|1,1,0]=4 13041 B13R1.371 COCCSc1ccc(cc1)S[13CH3] 62a_200025704644_200009813259 [0,2,0,0,0,0|1,1,0]=4 13042 B13R1.371 COc1ccc(cc1)CCCO[13CH3] 34a_100011215180_200025704644 [0,2,0,0,0,0|2,0,0]=4 13043 B13R1.371 COc1ccc(cc1)CCCO[13CH3] 7a_100011215180_200025704644 [0,2,0,0,0,0|2,0,0]=4 13044 B13R1.371 COc1ccc(cc1)CNCCO 207a_100000210304_100000169835 [0,2,0,0,0,0|2,0,0]=4 13045 B13R1.371 COc1ccc(cc1)CNCCO 2230a_100016997473_100000742318 [0,2,0,0,0,0|2,0,0]=4 13046 B13R1.371 COc1ccc(cc1)CNCCO 270004a_100000210304_100000169835 [0,2,0,0,0,0|2,0,0]=4 13047 B13R1.371 COc1ccc(cc1)CNCCO 34a_100000185587_100000211926 [0,2,0,0,0,0|2,0,0]=4 13048 B13R1.371 COc1ccc(cc1)CNCCO 34a_100016990907_100000742318 [0,2,0,0,0,0|2,0,0]=4 13049 B13R1.371 COc1ccc(cc1)COCCBr 34a_100000211926_100000742318 [0,2,0,0,0,0|2,0,0]=4 13050 B13R1.371 COc1ccc(cc1)COCCF 34a_100000173359_100011217306 [0,2,0,0,0,0|2,0,0]=4 13051 B13R1.371 COc1ccc(cc1)COCCN 34a_100000210304_100000742318 [0,2,0,0,0,0|2,0,0]=4 13052 B13R1.371 COc1ccc(cc1)COCCO 34a_100000173359_100000211926 [0,2,0,0,0,0|1,0,0]=3 13053 B13R1.371 COc1ccc(cc1)CSCCO 62a_100000211926_100000742318 [0,2,0,0,0,0|1,1,0]=4 13054 B13R1.371 COc1ccc(cc1)NCCCO 34a_100000184247_100000230001 [0,2,0,0,0,0|2,0,0]=4 13055 B13R1.371 COc1ccc(cc1)OCCCF 34a_100000210503_100011934791 [0,2,0,0,0,0|2,0,0]=4 13056 B13R1.371 COc1ccc(cc1)OCCCO 34a_100000210503_100000230001 [0,2,0,0,0,0|1,0,0]=3 13057 B13R1.371 COc1ccc(cc1)OCCN[13CH3] 2230a_100000174941_200025704644 [0,2,0,0,0,0|2,0,0]=4 13058 B13R1.371 COc1ccc(cc1)OCCN[13CH3] 34a_100000174941_200025704644 [0,2,0,0,0,0|2,0,0]=4 13059 B13R1.371 COc1ccc(cc1)OCCO[13CH3] 34a_200011305860_200025704644 [0,2,0,0,0,0|1,0,0]=3 13060 B13R1.371 COc1ccc(cc1)OCCSC 34a_100000210503_100000212216 [0,2,0,0,0,0|1,1,0]=4 13061 B13R1.371 COc1ccc(cc1)OCCSC 62a_100000183225_200000210301 [0,2,0,0,0,0|1,1,0]=4 13062 B13R1.371 COc1ccc(cc1)OCCSC 62a_200000210301_100000183225 [0,2,0,0,0,0|1,1,0]=4 13063 B13R1.371 COc1ccc(cc1)OCCS[13CH3] 62a_100000183225_200025704644 [0,2,0,0,0,0|1,1,0]=4 13064 B13R1.371 COc1ccc(cc1)OCCS[13CH3] 62a_200025704644_100000183225 [0,2,0,0,0,0|1,1,0]=4 13065 B13R1.371 COc1ccc(cc1)SCCCO 62a_100011215043_100000171711 [0,2,0,0,0,0|1,1,0]=4 13066 B13R1.371 COc1ccc(cn1)COCCO 34a_100000763316_100000211926 [0,2,0,0,0,0|2,0,0]=4 13067 B13R1.371 COc1ccc(cn1)OCCCO 34a_100011934560_100000230001 [0,2,0,0,0,0|2,0,0]=4 13068 B13R1.371 COc1ccc(nc1)COCCO 34a_100011998694_100000211926 [0,2,0,0,0,0|2,0,0]=4 13069 B13R1.371 COc1ccc(nc1)OCCCO 34a_100012002028_100000230001 [0,2,0,0,0,0|2,0,0]=4 13070 B13R1.371 CSCCOc1ccc(cc1)C#N 34a_100000210344_100000212216 [0,2,0,0,0,0|1,1,0]=4 13071 B13R1.371 CSCCOc1ccc(cc1)C#N 62a_100000184558_200000210301 [0,2,0,0,0,0|1,1,0]=4 13072 B13R1.371 CSCCOc1ccc(cc1)C#N 62a_200000210301_100000184558 [0,2,0,0,0,0|1,1,0]=4 13073 B13R1.371 CSCCOc1ccc(cc1)C#N 7a_100000210344_100000212216 [0,2,0,0,0,0|1,1,0]=4 13074 B13R1.371 CSCCOc1ccc(cc1)C=O 62a_100000040479_200000210301 [0,2,0,0,0,0|1,1,0]=4 13075 B13R1.371 CSCCOc1ccc(cc1)C=O 62a_200000210301_100000040479 [0,2,0,0,0,0|1,1,0]=4 13076 B13R1.371 CSCCOc1ccc(cc1)CN 34a_100000185549_100000212216 [0,2,0,0,0,0|1,1,0]=4 13077 B13R1.371 CSCCOc1ccc(cc1)CO 34a_100000211755_100000212216 [0,2,0,0,0,0|1,1,0]=4 13078 B13R1.371 CSCCOc1ccc(cc1)SC 34a_100000211864_100000212216 [0,2,0,0,0,0|1,1,0]=4 13079 B13R1.371 CSCOCc1ccc(cc1)CCl 34a_100000067286_100011218213 [0,2,0,0,0,0|2,0,0]=4 13080 B13R1.371 CSc1ccc(cc1)CNCCO 207a_100000210304_100000211154 [0,2,0,0,0,0|2,0,0]=4 13081 B13R1.371 CSc1ccc(cc1)CNCCO 2230a_100000174980_100000211926 [0,2,0,0,0,0|2,0,0]=4 13082 B13R1.371 CSc1ccc(cc1)CNCCO 2230a_100016997473_100000181263 [0,2,0,0,0,0|2,0,0]=4 13083 B13R1.371 CSc1ccc(cc1)CNCCO 270004a_100000210304_100000211154 [0,2,0,0,0,0|2,0,0]=4 13084 B13R1.371 CSc1ccc(cc1)CNCCO 34a_100000174980_100000211926 [0,2,0,0,0,0|2,0,0]=4 13085 B13R1.371 CSc1ccc(cc1)CNCCO 34a_100016990907_100000181263 [0,2,0,0,0,0|2,0,0]=4 13086 B13R1.371 CSc1ccc(cc1)CNCCO 62a_100000186819_200000210301 [0,2,0,0,0,0|2,0,0]=4 13087 B13R1.371 CSc1ccc(cc1)CNCCO 62a_200000210301_100000186819 [0,2,0,0,0,0|2,0,0]=4 13088 B13R1.371 CSc1ccc(cc1)COCCBr 34a_100000211926_100000181263 [0,2,0,0,0,0|2,0,0]=4 13089 B13R1.371 CSc1ccc(cc1)COCCF 34a_100011215404_100011217306 [0,2,0,0,0,0|2,0,0]=4 13090 B13R1.371 CSc1ccc(cc1)COCCF 7a_100011215404_100011217306 [0,2,0,0,0,0|2,0,0]=4 13091 B13R1.371 CSc1ccc(cc1)COCCN 34a_100000210304_100000181263 [0,2,0,0,0,0|2,0,0]=4 13092 B13R1.371 CSc1ccc(cc1)COCCO 34a_100011215404_100000211926 [0,2,0,0,0,0|1,0,0]=3 13093 B13R1.371 CSc1ccc(cc1)COCCO 7a_100011215404_100000211926 [0,2,0,0,0,0|1,0,0]=3 13094 B13R1.371 CSc1ccc(cc1)CSCCO 62a_100000181263_100000211926 [0,2,0,0,0,0|1,1,0]=4 13095 B13R1.371 CSc1ccc(cc1)CSCCO 62a_100000211926_100000181263 [0,2,0,0,0,0|1,1,0]=4 13096 B13R1.371 CSc1ccc(cc1)NCCCO 34a_100000212337_100000230001 [0,2,0,0,0,0|2,0,0]=4 13097 B13R1.371 CSc1ccc(cc1)OCCC#N 62a_100000172056_200000210301 [0,2,0,0,0,0|2,0,0]=4 13098 B13R1.371 CSc1ccc(cc1)OCCC#N 62a_200000210301_100000172056 [0,2,0,0,0,0|2,0,0]=4 13099 B13R1.371 CSc1ccc(cc1)OCCCF 34a_100000211864_100011934791 [0,2,0,0,0,0|2,0,0]=4 13100 B13R1.371 CSc1ccc(cc1)OCCCO 34a_100000211864_100000230001 [0,2,0,0,0,0|1,0,0]=3 13101 B13R1.371 CSc1ccc(cc1)OCCCO 62a_100000756186_200000210301 [0,2,0,0,0,0|1,0,0]=3 13102 B13R1.371 CSc1ccc(cc1)OCCCO 62a_200000210301_100000756186 [0,2,0,0,0,0|1,0,0]=3 13103 B13R1.371 CSc1ccc(cc1)OCCN[13CH3] 2230a_100011893652_200025704644 [0,2,0,0,0,0|2,0,0]=4 13104 B13R1.371 CSc1ccc(cc1)OCCN[13CH3] 34a_100011893652_200025704644 [0,2,0,0,0,0|2,0,0]=4 13105 B13R1.371 CSc1ccc(cc1)SCCCO 62a_100011215043_100011263217 [0,2,0,0,0,0|1,1,0]=4 13106 B13R1.371 CSc1ccc(cc1)SCCCO 62a_100011263217_100011215043 [0,2,0,0,0,0|1,1,0]=4 13107 B13R1.371 FCCOCc1ccc(cc1)CBr 34a_100012353999_100011217306 [0,2,0,0,0,0|1,1,0]=4 13108 B13R1.371 FCCOCc1ccc(cc1)CBr 7a_100012353999_100011217306 [0,2,0,0,0,0|1,1,0]=4 13109 B13R1.371 FCCOCc1ccc(cc1)CCl 34a_100000067286_100011217306 [0,2,0,0,0,0|1,0,0]=3 13110 B13R1.371 FCCOCc1ccc(cc1)CCl 7a_100000067286_100011217306 [0,2,0,0,0,0|1,0,0]=3 13111 B13R1.371 N#CCCOc1ccc(cc1)C#N 7a_100000210344_100000184422 [0,2,0,0,0,0|2,0,0]=4 13112 B13R1.371 N#CCOCc1ccc(cc1)CCl 7a_100000067286_100011215382 [0,2,0,0,0,0|1,0,1]=4 13113 B13R1.371 N#Cc1ccc(cc1)CNCCO 207a_100000210304_100000211122 [0,2,0,0,0,0|2,0,0]=4 13114 B13R1.371 N#Cc1ccc(cc1)CNCCO 2230a_100016997473_100000184898 [0,2,0,0,0,0|2,0,0]=4 13115 B13R1.371 N#Cc1ccc(cc1)CNCCO 270004a_100000210304_100000211122 [0,2,0,0,0,0|2,0,0]=4 13116 B13R1.371 N#Cc1ccc(cc1)CNCCO 34a_100015207190_100000211926 [0,2,0,0,0,0|2,0,0]=4 13117 B13R1.371 N#Cc1ccc(cc1)CNCCO 34a_100016990907_100000184898 [0,2,0,0,0,0|2,0,0]=4 13118 B13R1.371 N#Cc1ccc(cc1)COCCBr 34a_100000211926_100000184898 [0,2,0,0,0,0|2,0,0]=4 13119 B13R1.371 N#Cc1ccc(cc1)COCCF 34a_100000238739_100011217306 [0,2,0,0,0,0|2,0,0]=4 13120 B13R1.371 N#Cc1ccc(cc1)COCCF 7a_100000238739_100011217306 [0,2,0,0,0,0|2,0,0]=4 13121 B13R1.371 N#Cc1ccc(cc1)COCCN 34a_100000210304_100000184898 [0,2,0,0,0,0|2,0,0]=4 13122 B13R1.371 N#Cc1ccc(cc1)COCCO 34a_100000238739_100000211926 [0,2,0,0,0,0|1,0,0]=3 13123 B13R1.371 N#Cc1ccc(cc1)COCCO 7a_100000238739_100000211926 [0,2,0,0,0,0|1,0,0]=3 13124 B13R1.371 N#Cc1ccc(cc1)CSCCO 62a_100000211926_100000184898 [0,2,0,0,0,0|1,1,0]=4 13125 B13R1.371 N#Cc1ccc(cc1)NCCCO 34a_100000185469_100000230001 [0,2,0,0,0,0|2,0,0]=4 13126 B13R1.371 N#Cc1ccc(cc1)OCCCF 34a_100000210344_100011934791 [0,2,0,0,0,0|2,0,0]=4 13127 B13R1.371 N#Cc1ccc(cc1)OCCCF 7a_100000210344_100011934791 [0,2,0,0,0,0|2,0,0]=4 13128 B13R1.371 N#Cc1ccc(cc1)OCCCO 34a_100000210344_100000230001 [0,2,0,0,0,0|1,0,0]=3 13129 B13R1.371 N#Cc1ccc(cc1)OCCCO 7a_100000210344_100011215043 [0,2,0,0,0,0|1,0,0]=3 13130 B13R1.371 N#Cc1ccc(cc1)SCCCO 62a_100011215043_100000184291 [0,2,0,0,0,0|1,1,0]=4 13131 B13R1.371 N#Cc1ccc(cn1)COCCO 34a_100000090650_100000211926 [0,2,0,0,0,0|2,0,0]=4 13132 B13R1.371 N#Cc1ccc(cn1)COCCO 7a_100000090650_100000211926 [0,2,0,0,0,0|2,0,0]=4 13133 B13R1.371 N#Cc1ccc(cn1)OCCCO 34a_100011934750_100000230001 [0,2,0,0,0,0|2,0,0]=4 13134 B13R1.371 N#Cc1ccc(cn1)OCCCO 7a_100011934750_100011215043 [0,2,0,0,0,0|2,0,0]=4 13135 B13R1.371 N#Cc1ccc(nc1)COCCO 34a_100000101912_100000211926 [0,2,0,0,0,0|2,0,0]=4 13136 B13R1.371 NCCOCc1ccc(cc1)C=O 34a_100000210304_100009816848 [0,2,0,0,0,0|2,0,0]=4 13137 B13R1.371 NCCOCc1ccc(cc1)CO 34a_100000210304_100000067286 [0,2,0,0,0,0|2,0,0]=4 13138 B13R1.371 NCc1ccc(cc1)COCCF 34a_100015189231_100011217306 [0,2,0,0,0,0|2,0,0]=4 13139 B13R1.371 NCc1ccc(cc1)COCCO 34a_100015189231_100000211926 [0,2,0,0,0,0|1,0,0]=3 13140 B13R1.371 NCc1ccc(cc1)OCCCF 34a_100000185549_100011934791 [0,2,0,0,0,0|2,0,0]=4 13141 B13R1.371 NCc1ccc(cc1)OCCCO 34a_100000185549_100000230001 [0,2,0,0,0,0|1,0,0]=3 13142 B13R1.371 NCc1ccc(cc1)SCCCO 62a_100011215043_100016989417 [0,2,0,0,0,0|1,1,0]=4 13143 B13R1.371 NCc1ccc(cc1)SCCCO 62a_100016989417_100011215043 [0,2,0,0,0,0|1,1,0]=4 13144 B13R1.371 NCc1ccc(cn1)OCCCO 34a_100020605196_100000230001 [0,2,0,0,0,0|2,0,0]=4 13145 B13R1.371 NCc1ccc(nc1)OCCCO 34a_100000757128_100000230001 [0,2,0,0,0,0|2,0,0]=4 13146 B13R1.371 NNc1ccc(cc1)SCCCO 62a_100011215043_100016988836 [0,2,0,0,0,0|1,1,0]=4 13147 B13R1.371 NNc1ccc(cc1)SCCCO 62a_100016988836_100011215043 [0,2,0,0,0,0|1,1,0]=4 13148 B13R1.371 O=CCOCc1ccc(cc1)CCl 34a_100000067286_200009817547 [0,2,0,0,0,0|0,0,2]=4 13149 B13R1.371 O=CCOCc1ccc(cc1)CCl 7a_100000067286_200015260668 [0,2,0,0,0,0|0,0,2]=4 13150 B13R1.371 O=Cc1ccc(cc1)CNCCO 2230a_100016997473_100009816848 [0,2,0,0,0,0|2,0,0]=4 13151 B13R1.371 O=Cc1ccc(cc1)CNCCO 34a_100016990907_100009816848 [0,2,0,0,0,0|2,0,0]=4 13152 B13R1.371 O=Cc1ccc(cc1)COCCBr 34a_100000211926_100009816848 [0,2,0,0,0,0|2,0,0]=4 13153 B13R1.371 O=Cc1ccc(cc1)CSCCO 62a_100000211926_100009816848 [0,2,0,0,0,0|1,1,0]=4 13154 B13R1.371 O=Cc1ccc(cc1)CSCCO 62a_100009816848_100000211926 [0,2,0,0,0,0|1,1,0]=4 13155 B13R1.371 O=Cc1ccc(cc1)SCCCO 62a_100000188517_100011215043 [0,2,0,0,0,0|1,1,0]=4 13156 B13R1.371 O=Cc1ccc(cc1)SCCCO 62a_100011215043_100000188517 [0,2,0,0,0,0|1,1,0]=4 13157 B13R1.371 OCCCNc1ccc(cc1)CO 2230a_100011215238_100000230001 [0,2,0,0,0,0|2,0,0]=4 13158 B13R1.371 OCCCNc1ccc(cc1)CO 34a_100011215238_100000230001 [0,2,0,0,0,0|2,0,0]=4 13159 B13R1.371 OCCCOc1ccc(cc1)CO 34a_100000211755_100000230001 [0,2,0,0,0,0|1,0,0]=3 13160 B13R1.371 OCCCOc1ccc(nc1)CO 34a_103436540053_100000230001 [0,2,0,0,0,0|2,0,0]=4 13161 B13R1.371 OCCCSc1ccc(cc1)CF 62a_100010268989_100011215043 [0,2,0,0,0,0|0,2,0]=4 13162 B13R1.371 OCCCSc1ccc(cc1)CF 62a_100011215043_100010268989 [0,2,0,0,0,0|0,2,0]=4 13163 B13R1.371 OCCCSc1ccc(cc1)CO 62a_100000690907_100011215043 [0,2,0,0,0,0|1,1,0]=4 13164 B13R1.371 OCCCSc1ccc(cc1)CO 62a_100011215043_100000690907 [0,2,0,0,0,0|1,1,0]=4 13165 B13R1.371 OCCNCc1ccc(cc1)CO 207a_100000210304_100009832023 [0,2,0,0,0,0|2,0,0]=4 13166 B13R1.371 OCCNCc1ccc(cc1)CO 2230a_100015189231_100000211926 [0,2,0,0,0,0|2,0,0]=4 13167 B13R1.371 OCCNCc1ccc(cc1)CO 2230a_100016997473_100000067286 [0,2,0,0,0,0|2,0,0]=4 13168 B13R1.371 OCCNCc1ccc(cc1)CO 270004a_100000210304_100009832023 [0,2,0,0,0,0|2,0,0]=4 13169 B13R1.371 OCCNCc1ccc(cc1)CO 34a_100015189231_100000211926 [0,2,0,0,0,0|2,0,0]=4 13170 B13R1.371 OCCNCc1ccc(cc1)CO 34a_100016990907_100000067286 [0,2,0,0,0,0|2,0,0]=4 13171 B13R1.371 OCCNN=C1C=CC(=NCl)C=C1 4a_100000210001_100000088476 [0,2,0,0,0,0|1,0,0]=3 13172 B13R1.371 OCCNN=C1C=CC(=NO)C=C1 4a_100000210001_200000095120 [0,2,0,0,0,0|2,0,0]=4 13173 B13R1.371 OCCOCc1ccc(cc1)CBr 34a_100012353999_100000211926 [0,2,0,0,0,0|0,1,0]=3 13174 B13R1.371 OCCOCc1ccc(cc1)CBr 7a_100012353999_100000211926 [0,2,0,0,0,0|0,1,0]=3 13175 B13R1.371 OCCOCc1ccc(cc1)CCl 34a_100000067286_100000211926 [0,2,0,0,0,0|0,0,0]=2 13176 B13R1.371 OCCOCc1ccc(cc1)CCl 7a_100000067286_100000211926 [0,2,0,0,0,0|0,0,0]=2 13177 B13R1.371 OCCSCc1ccc(cc1)CO 62a_100000067286_100000211926 [0,2,0,0,0,0|1,1,0]=4 13178 B13R1.371 OCCSCc1ccc(cc1)CO 62a_100000211926_100000067286 [0,2,0,0,0,0|1,1,0]=4 13179 B13R1.371 OCc1ccc(cc1)COCCBr 34a_100000211926_100000067286 [0,2,0,0,0,0|2,0,0]=4 13180 B13R1.371 OCc1ccc(cc1)OCCCF 34a_100000211755_100011934791 [0,2,0,0,0,0|2,0,0]=4 13181 B13R1.371 [13CH3]NCCOc1ccc(cc1)C#N 34a_100000759831_200025704644 [0,2,0,0,0,0|2,0,0]=4 13182 B13R1.371 [13CH3]Nc1ccc(cc1)OCCCO 2230a_100000730458_200025704644 [0,2,0,0,0,0|1,0,0]=3 13183 B13R1.371 [13CH3]Nc1ccc(cc1)OCCCO 34a_100000730458_200025704644 [0,2,0,0,0,0|1,0,0]=3 13184 B13R1.371 [13CH3]OCCCc1ccc(cc1)C#N 34a_100000090602_200025704644 [0,2,0,0,0,0|2,0,0]=4 13185 B13R1.371 [13CH3]OCCCc1ccc(cc1)C#N 7a_100000090602_200025704644 [0,2,0,0,0,0|2,0,0]=4 13186 B13R1.371 [13CH3]OCCNc1ccc(cc1)CN 34a_102495363707_200025704644 [0,2,0,0,0,0|2,0,0]=4 13187 B13R1.371 [13CH3]OCCOc1ccc(cc1)C#N 34a_100000230533_200025704644 [0,2,0,0,0,0|1,0,0]=3 13188 B13R1.371 [13CH3]OCCOc1ccc(cc1)C#N 7a_100000230533_200025704644 [0,2,0,0,0,0|1,0,0]=3 13189 B13R1.371 [13CH3]SCCOc1ccc(cc1)C#N 62a_100000184558_200025704644 [0,2,0,0,0,0|1,1,0]=4 13190 B13R1.371 [13CH3]SCCOc1ccc(cc1)C#N 62a_200025704644_100000184558 [0,2,0,0,0,0|1,1,0]=4 13191 B13R1.371 [13CH3]SCCOc1ccc(cc1)C=O 62a_100000040479_200025704644 [0,2,0,0,0,0|1,1,0]=4 13192 B13R1.371 [13CH3]SCCOc1ccc(cc1)C=O 62a_200025704644_100000040479 [0,2,0,0,0,0|1,1,0]=4 13193 B13R1.371 [13CH3]Sc1ccc(cc1)CNCCO 62a_100000186819_200025704644 [0,2,0,0,0,0|2,0,0]=4 13194 B13R1.371 [13CH3]Sc1ccc(cc1)CNCCO 62a_200025704644_100000186819 [0,2,0,0,0,0|2,0,0]=4 13195 B13R1.371 [13CH3]Sc1ccc(cc1)OCCC#N 62a_100000172056_200025704644 [0,2,0,0,0,0|2,0,0]=4 13196 B13R1.371 [13CH3]Sc1ccc(cc1)OCCC#N 62a_200025704644_100000172056 [0,2,0,0,0,0|2,0,0]=4 13197 B13R1.371 [13CH3]Sc1ccc(cc1)OCCCO 62a_100000756186_200025704644 [0,2,0,0,0,0|1,0,0]=3 13198 B13R1.371 [13CH3]Sc1ccc(cc1)OCCCO 62a_200025704644_100000756186 [0,2,0,0,0,0|1,0,0]=3 13199 B13R1.513 C=C(C)CCNc1ccc(cc1)Cl 2230a_100000210052_100000730704 [0,2,0,0,0,0|2,0,0]=4 13200 B13R1.513 C=C(C)CCNc1ccc(cc1)Cl 34a_100000210052_100000730704 [0,2,0,0,0,0|2,0,0]=4 13201 B13R1.513 C=C(C)CCOc1ccc(cc1)Br 34a_100000185759_100000730704 [0,2,0,0,0,0|1,1,0]=4 13202 B13R1.513 C=C(C)CCOc1ccc(cc1)Br 7a_100000185759_100000730704 [0,2,0,0,0,0|1,1,0]=4 13203 B13R1.513 C=C(C)CCOc1ccc(cc1)C 34a_100000210336_100000730704 [0,2,0,0,0,0|2,0,0]=4 13204 B13R1.513 C=C(C)CCOc1ccc(cc1)C 7a_100000210336_100000730704 [0,2,0,0,0,0|2,0,0]=4 13205 B13R1.513 C=C(C)CCOc1ccc(cc1)Cl 34a_100000210216_100000730704 [0,2,0,0,0,0|1,0,0]=3 13206 B13R1.513 C=C(C)CCOc1ccc(cc1)Cl 7a_100000210216_100000730704 [0,2,0,0,0,0|1,0,0]=3 13207 B13R1.513 C=C(C)CCOc1ccc(cc1)F 34a_100000210339_100000730704 [0,2,0,0,0,0|1,1,0]=4 13208 B13R1.513 C=C(C)CCOc1ccc(cc1)I 34a_100000212066_100000730704 [0,2,0,0,0,0|1,1,0]=4 13209 B13R1.513 C=C(C)CCOc1ccc(cc1)I 7a_100000212066_100000730704 [0,2,0,0,0,0|1,1,0]=4 13210 B13R1.513 C=C(C)CCOc1ccc(cc1)N 34a_100000185829_100000730704 [0,2,0,0,0,0|2,0,0]=4 13211 B13R1.513 C=C(C)CCOc1ccc(cn1)Cl 34a_100011215309_100000730704 [0,2,0,0,0,0|2,0,0]=4 13212 B13R1.513 C=C(C)CCOc1ccc(nc1)Cl 34a_100000744096_100000730704 [0,2,0,0,0,0|2,0,0]=4 13213 B13R1.513 C=C(C)CCOc1ccc(nc1)Cl 7a_100000744096_100000730704 [0,2,0,0,0,0|2,0,0]=4 13214 B13R1.513 C=C(C)CCSc1ccc(cc1)Cl 62a_100000730704_100000755918 [0,2,0,0,0,0|1,1,0]=4 13215 B13R1.513 C=C(C)CCSc1ccc(cc1)Cl 62a_100000755918_100000730704 [0,2,0,0,0,0|1,1,0]=4 13216 B13R1.513 C=C(C)COCc1ccc(cc1)Cl 34a_100000210245_100000694040 [0,2,0,0,0,0|1,0,1]=4 13217 B13R1.513 C=C(C)COCc1ccc(cc1)Cl 34a_100000211118_100000748629 [0,2,0,0,0,0|1,0,1]=4 13218 B13R1.513 C=C(C)COCc1ccc(cc1)Cl 7a_100000211118_100000748629 [0,2,0,0,0,0|1,0,1]=4 13219 B13R1.513 C=C(F)COCc1ccc(cc1)Cl 34a_100000211118_100009893438 [0,2,0,0,0,0|1,0,1]=4 13220 B13R1.513 C=C(F)COCc1ccc(cc1)Cl 34a_200010262243_100000694040 [0,2,0,0,0,0|1,0,1]=4 13221 B13R1.513 C=C(F)COCc1ccc(cc1)Cl 7a_100000211118_100000042424 [0,2,0,0,0,0|1,0,1]=4 13222 B13R1.513 CC(=CCOc1ccc(cc1)Cl)C 34a_100000210216_100000761012 [0,2,0,0,0,0|1,0,1]=4 13223 B13R1.513 CC(=CCOc1ccc(cc1)Cl)C 7a_100000210216_100000761012 [0,2,0,0,0,0|1,0,1]=4 13224 B13R1.513 CC(=O)CCCc1ccc(cc1)Cl 1458a_100000070787_100000759440 [0,2,0,0,0,0|1,0,1]=4 13225 B13R1.513 CC(=O)CCCc1ccc(cc1)Cl 1458a_100000741339_200000210301 [0,2,0,0,0,0|1,0,1]=4 13226 B13R1.513 CC(=O)CCOc1ccc(cc1)Br 1458a_100000070787_100000183278 [0,2,0,0,0,0|0,1,1]=4 13227 B13R1.513 CC(=O)CCOc1ccc(cc1)Br 1458a_100000738328_200000210301 [0,2,0,0,0,0|0,1,1]=4 13228 B13R1.513 CC(=O)CCOc1ccc(cc1)Br 7a_100000185759_100000053229 [0,2,0,0,0,0|0,1,1]=4 13229 B13R1.513 CC(=O)CCOc1ccc(cc1)C 1458a_100000070787_100000183172 [0,2,0,0,0,0|1,0,1]=4 13230 B13R1.513 CC(=O)CCOc1ccc(cc1)C 1458a_100000182323_200000210301 [0,2,0,0,0,0|1,0,1]=4 13231 B13R1.513 CC(=O)CCOc1ccc(cc1)C 7a_100000210336_100000053229 [0,2,0,0,0,0|1,0,1]=4 13232 B13R1.513 CC(=O)CCOc1ccc(cc1)Cl 1458a_100000070787_100000184122 [0,2,0,0,0,0|0,0,1]=3 13233 B13R1.513 CC(=O)CCOc1ccc(cc1)Cl 1458a_100000186438_200000210301 [0,2,0,0,0,0|0,0,1]=3 13234 B13R1.513 CC(=O)CCOc1ccc(cc1)Cl 7a_100000210216_100000053229 [0,2,0,0,0,0|0,0,1]=3 13235 B13R1.513 CC(=O)CCOc1ccc(cc1)F 1458a_100000070787_100000184936 [0,2,0,0,0,0|0,1,1]=4 13236 B13R1.513 CC(=O)CCOc1ccc(cc1)F 1458a_100000737396_200000210301 [0,2,0,0,0,0|0,1,1]=4 13237 B13R1.513 CC(=O)CCOc1ccc(cc1)I 7a_100000212066_100000053229 [0,2,0,0,0,0|0,1,1]=4 13238 B13R1.513 CC(=O)CCOc1ccc(nc1)Cl 7a_100000744096_100000053229 [0,2,0,0,0,0|1,0,1]=4 13239 B13R1.513 CC(=O)CCSc1ccc(cc1)Cl 1458a_100000182369_200000210301 [0,2,0,0,0,0|0,1,1]=4 13240 B13R1.513 CC(=O)CCSc1ccc(cc1)Cl 62a_100000053229_100000755918 [0,2,0,0,0,0|0,1,1]=4 13241 B13R1.513 CC(=O)CCSc1ccc(cc1)Cl 62a_100000755918_100000053229 [0,2,0,0,0,0|0,1,1]=4 13242 B13R1.513 CC(=O)COCc1ccc(cc1)Cl 34a_100000211253_100000694040 [0,2,0,0,0,0|0,0,2]=4 13243 B13R1.513 CC(=O)OCOc1ccc(cc1)Cl 34a_100000210216_100009813279 [0,2,0,0,0,0|0,0,2]=4 13244 B13R1.513 CC(Br)COCc1ccc(cc1)Br 34a_100012180447_100000189115 [0,2,0,0,0,0|1,1,0]=4 13245 B13R1.513 CC(Br)COCc1ccc(cc1)Cl 34a_100012180447_100000694040 [0,2,0,0,0,0|1,0,0]=3 13246 B13R1.513 CC(Br)COCc1ccc(cc1)F 34a_100012180447_100000198546 [0,2,0,0,0,0|1,1,0]=4 13247 B13R1.513 CC(Br)COCc1ccc(cc1)I 34a_100012180447_100000189116 [0,2,0,0,0,0|1,1,0]=4 13248 B13R1.513 CC(Br)COCc1ccc(cn1)Cl 34a_100012180447_100012066911 [0,2,0,0,0,0|2,0,0]=4 13249 B13R1.513 CC(Br)COCc1ccc(nc1)Cl 34a_100012180447_100000735431 [0,2,0,0,0,0|2,0,0]=4 13250 B13R1.513 CC(C)CC=Cc1ccc(cc1)Cl 271570a_100016259101_100000755918 [0,2,0,0,0,0|2,0,0]=4 13251 B13R1.513 CC(C)CCNc1ccc(cc1)Cl 2230a_100000210052_100000210312 [0,2,0,0,0,0|2,0,0]=4 13252 B13R1.513 CC(C)CCNc1ccc(cc1)Cl 34a_100000210052_100000210312 [0,2,0,0,0,0|2,0,0]=4 13253 B13R1.513 CC(C)CCOc1ccc(cc1)Br 34a_100000185759_100000210312 [0,2,0,0,0,0|1,1,0]=4 13254 B13R1.513 CC(C)CCOc1ccc(cc1)Br 7a_100000185759_100000210626 [0,2,0,0,0,0|1,1,0]=4 13255 B13R1.513 CC(C)CCOc1ccc(cc1)Cl 34a_100000210216_100000210312 [0,2,0,0,0,0|1,0,0]=3 13256 B13R1.513 CC(C)CCOc1ccc(cc1)Cl 7a_100000210216_100000210626 [0,2,0,0,0,0|1,0,0]=3 13257 B13R1.513 CC(C)CCOc1ccc(cc1)F 34a_100000210339_100000210312 [0,2,0,0,0,0|1,1,0]=4 13258 B13R1.513 CC(C)CCOc1ccc(cc1)I 34a_100000212066_100000210312 [0,2,0,0,0,0|1,1,0]=4 13259 B13R1.513 CC(C)CCOc1ccc(cc1)I 7a_100000212066_100000210626 [0,2,0,0,0,0|1,1,0]=4 13260 B13R1.513 CC(C)CCOc1ccc(cc1)N 34a_100000185829_100000210312 [0,2,0,0,0,0|2,0,0]=4 13261 B13R1.513 CC(C)CCOc1ccc(cn1)Cl 34a_100011215309_100000210312 [0,2,0,0,0,0|2,0,0]=4 13262 B13R1.513 CC(C)CCOc1ccc(nc1)Cl 34a_100000744096_100000210312 [0,2,0,0,0,0|2,0,0]=4 13263 B13R1.513 CC(C)CCOc1ccc(nc1)Cl 7a_100000744096_100000210626 [0,2,0,0,0,0|2,0,0]=4 13264 B13R1.513 CC(C)CCSc1ccc(cc1)Cl 62a_100000210312_100000755918 [0,2,0,0,0,0|1,1,0]=4 13265 B13R1.513 CC(C)CCSc1ccc(cc1)Cl 62a_100000755918_100000210312 [0,2,0,0,0,0|1,1,0]=4 13266 B13R1.513 CC(C)CNCc1ccc(cc1)Cl 207a_100000210953_100000189385 [0,2,0,0,0,0|2,0,0]=4 13267 B13R1.513 CC(C)CNCc1ccc(cc1)Cl 2230a_100000174871_100000210760 [0,2,0,0,0,0|2,0,0]=4 13268 B13R1.513 CC(C)CNCc1ccc(cc1)Cl 2230a_100000210953_100000694040 [0,2,0,0,0,0|2,0,0]=4 13269 B13R1.513 CC(C)CNCc1ccc(cc1)Cl 270004a_100000174871_100000210432 [0,2,0,0,0,0|2,0,0]=4 13270 B13R1.513 CC(C)CNCc1ccc(cc1)Cl 270004a_100000210953_100000189385 [0,2,0,0,0,0|2,0,0]=4 13271 B13R1.513 CC(C)CNCc1ccc(cc1)Cl 34a_100000174871_100000210624 [0,2,0,0,0,0|2,0,0]=4 13272 B13R1.513 CC(C)CNCc1ccc(cc1)Cl 34a_100000210953_100000694040 [0,2,0,0,0,0|2,0,0]=4 13273 B13R1.513 CC(C)COCc1ccc(cc1)Br 34a_100000210257_100000189115 [0,2,0,0,0,0|1,1,0]=4 13274 B13R1.513 CC(C)COCc1ccc(cc1)Br 34a_100000695286_100000210624 [0,2,0,0,0,0|1,1,0]=4 13275 B13R1.513 CC(C)COCc1ccc(cc1)Cl 34a_100000210257_100000694040 [0,2,0,0,0,0|1,0,0]=3 13276 B13R1.513 CC(C)COCc1ccc(cc1)Cl 34a_100000211118_100000210624 [0,2,0,0,0,0|1,0,0]=3 13277 B13R1.513 CC(C)COCc1ccc(cc1)Cl 7a_100000211118_100000210760 [0,2,0,0,0,0|1,0,0]=3 13278 B13R1.513 CC(C)COCc1ccc(cc1)F 34a_100000210257_100000198546 [0,2,0,0,0,0|1,1,0]=4 13279 B13R1.513 CC(C)COCc1ccc(cc1)F 34a_100000210977_100000210624 [0,2,0,0,0,0|1,1,0]=4 13280 B13R1.513 CC(C)COCc1ccc(cc1)F 7a_100000210977_100000210760 [0,2,0,0,0,0|1,1,0]=4 13281 B13R1.513 CC(C)COCc1ccc(cc1)I 34a_100000210257_100000189116 [0,2,0,0,0,0|1,1,0]=4 13282 B13R1.513 CC(C)COCc1ccc(cc1)I 34a_100000690907_100000210624 [0,2,0,0,0,0|1,1,0]=4 13283 B13R1.513 CC(C)COCc1ccc(cc1)I 7a_100000690907_100000210760 [0,2,0,0,0,0|1,1,0]=4 13284 B13R1.513 CC(C)COCc1ccc(cc1)N 34a_100011215238_100000210624 [0,2,0,0,0,0|2,0,0]=4 13285 B13R1.513 CC(C)COCc1ccc(cn1)Cl 34a_100000210257_100012066911 [0,2,0,0,0,0|2,0,0]=4 13286 B13R1.513 CC(C)COCc1ccc(cn1)Cl 34a_100000703999_100000210624 [0,2,0,0,0,0|2,0,0]=4 13287 B13R1.513 CC(C)COCc1ccc(nc1)Cl 34a_100000210257_100000735431 [0,2,0,0,0,0|2,0,0]=4 13288 B13R1.513 CC(C)COCc1ccc(nc1)Cl 34a_100000755211_100000210624 [0,2,0,0,0,0|2,0,0]=4 13289 B13R1.513 CC(C)COCc1ccc(nc1)Cl 7a_100000755211_100000210760 [0,2,0,0,0,0|2,0,0]=4 13290 B13R1.513 CC(C)CSCc1ccc(cc1)Cl 62a_100000187161_100000210760 [0,2,0,0,0,0|1,1,0]=4 13291 B13R1.513 CC(C)CSCc1ccc(cc1)Cl 62a_100000210624_100000187161 [0,2,0,0,0,0|1,1,0]=4 13292 B13R1.513 CC(C)NCCc1ccc(cc1)Cl 2230a_100000185265_100000210206 [0,2,0,0,0,0|2,0,0]=4 13293 B13R1.513 CC(C)NCCc1ccc(cc1)Cl 2230a_100138425928_100011713675 [0,2,0,0,0,0|2,0,0]=4 13294 B13R1.513 CC(C)NCCc1ccc(cc1)Cl 34a_100000185265_100000210206 [0,2,0,0,0,0|2,0,0]=4 13295 B13R1.513 CC(C)NCCc1ccc(cc1)Cl 34a_100138425928_100011713675 [0,2,0,0,0,0|2,0,0]=4 13296 B13R1.513 CC(C)OCCc1ccc(cc1)Cl 34a_100000212225_100011713675 [0,2,0,0,0,0|2,0,0]=4 13297 B13R1.513 CC(C)OCCc1ccc(cc1)Cl 34a_100011219627_100000210206 [0,2,0,0,0,0|2,0,0]=4 13298 B13R1.513 CC(C)OCCc1ccc(cc1)Cl 7a_100011219627_100000210206 [0,2,0,0,0,0|2,0,0]=4 13299 B13R1.513 CC(C)OCNc1ccc(cc1)Cl 2230a_100000210052_100000709892 [0,2,0,0,0,0|2,0,0]=4 13300 B13R1.513 CC(C)OCNc1ccc(cc1)Cl 34a_100000210052_100000709892 [0,2,0,0,0,0|2,0,0]=4 13301 B13R1.513 CC(C)OCOc1ccc(cc1)Br 34a_100000185759_100000709892 [0,2,0,0,0,0|1,1,0]=4 13302 B13R1.513 CC(C)OCOc1ccc(cc1)Cl 34a_100000210216_100000709892 [0,2,0,0,0,0|1,0,0]=3 13303 B13R1.513 CC(C)OCOc1ccc(cc1)F 34a_100000210339_100000709892 [0,2,0,0,0,0|1,1,0]=4 13304 B13R1.513 CC(C)OCOc1ccc(cc1)I 34a_100000212066_100000709892 [0,2,0,0,0,0|1,1,0]=4 13305 B13R1.513 CC(C)OCOc1ccc(cc1)N 34a_100000185829_100000709892 [0,2,0,0,0,0|2,0,0]=4 13306 B13R1.513 CC(C)OCOc1ccc(cn1)Cl 34a_100011215309_100000709892 [0,2,0,0,0,0|2,0,0]=4 13307 B13R1.513 CC(C)OCOc1ccc(nc1)Cl 34a_100000744096_100000709892 [0,2,0,0,0,0|2,0,0]=4 13308 B13R1.513 CC(C)OCSc1ccc(cc1)Cl 62a_100000709892_100000755918 [0,2,0,0,0,0|1,1,0]=4 13309 B13R1.513 CC(C)OCSc1ccc(cc1)Cl 62a_100000755918_100000709892 [0,2,0,0,0,0|1,1,0]=4 13310 B13R1.513 CC(C)SCCc1ccc(cc1)Cl 62a_100000210206_100011713675 [0,2,0,0,0,0|2,0,0]=4 13311 B13R1.513 CC(C)SCCc1ccc(cc1)Cl 62a_100011713675_100000210206 [0,2,0,0,0,0|2,0,0]=4 13312 B13R1.513 CC(F)COCc1ccc(cc1)Br 34a_100015925927_100000189115 [0,2,0,0,0,0|1,1,0]=4 13313 B13R1.513 CC(F)COCc1ccc(cc1)Cl 34a_100015925927_100000694040 [0,2,0,0,0,0|1,0,0]=3 13314 B13R1.513 CC(F)COCc1ccc(cc1)F 34a_100015925927_100000198546 [0,2,0,0,0,0|1,1,0]=4 13315 B13R1.513 CC(F)COCc1ccc(cc1)I 34a_100015925927_100000189116 [0,2,0,0,0,0|1,1,0]=4 13316 B13R1.513 CC(F)COCc1ccc(cn1)Cl 34a_100015925927_100012066911 [0,2,0,0,0,0|2,0,0]=4 13317 B13R1.513 CC(F)COCc1ccc(nc1)Cl 34a_100015925927_100000735431 [0,2,0,0,0,0|2,0,0]=4 13318 B13R1.513 CC(O)CCNc1ccc(cc1)Br 2230a_100000210018_100012276601 [0,2,0,0,0,0|1,1,0]=4 13319 B13R1.513 CC(O)CCNc1ccc(cc1)Br 34a_100000210018_100012276601 [0,2,0,0,0,0|1,1,0]=4 13320 B13R1.513 CC(O)CCNc1ccc(cc1)Cl 2230a_100000210052_100012276601 [0,2,0,0,0,0|1,0,0]=3 13321 B13R1.513 CC(O)CCNc1ccc(cc1)Cl 34a_100000210052_100012276601 [0,2,0,0,0,0|1,0,0]=3 13322 B13R1.513 CC(O)CCNc1ccc(cc1)F 34a_100000185862_100012276601 [0,2,0,0,0,0|1,1,0]=4 13323 B13R1.513 CC(O)CCNc1ccc(cc1)I 34a_100000185761_100012276601 [0,2,0,0,0,0|1,1,0]=4 13324 B13R1.513 CC(O)CCNc1ccc(cc1)O 34a_100000185829_100012276601 [0,2,0,0,0,0|2,0,0]=4 13325 B13R1.513 CC(O)CCOc1ccc(=O)[nH]c1 34a_100000075641_100012276601 [0,2,0,0,0,0|2,0,0]=4 13326 B13R1.513 CC(O)CCOc1ccc(cc1)Br 34a_100000185759_100012276601 [0,2,0,0,0,0|0,1,0]=3 13327 B13R1.513 CC(O)CCOc1ccc(cc1)Br 7a_100000185759_100012276601 [0,2,0,0,0,0|0,1,0]=3 13328 B13R1.513 CC(O)CCOc1ccc(cc1)Cl 34a_100000210216_100012276601 [0,2,0,0,0,0|0,0,0]=2 13329 B13R1.513 CC(O)CCOc1ccc(cc1)Cl 7a_100000210216_100012276601 [0,2,0,0,0,0|0,0,0]=2 13330 B13R1.513 CC(O)CCOc1ccc(cc1)F 34a_100000210339_100012276601 [0,2,0,0,0,0|0,1,0]=3 13331 B13R1.513 CC(O)CCOc1ccc(cc1)I 34a_100000212066_100012276601 [0,2,0,0,0,0|0,1,0]=3 13332 B13R1.513 CC(O)CCOc1ccc(cc1)I 7a_100000212066_100012276601 [0,2,0,0,0,0|0,1,0]=3 13333 B13R1.513 CC(O)CCOc1ccc(cc1)N 34a_100000185829_100012276601 [0,2,0,0,0,0|1,0,0]=3 13334 B13R1.513 CC(O)CCOc1ccc(cn1)Cl 34a_100011215309_100012276601 [0,2,0,0,0,0|1,0,0]=3 13335 B13R1.513 CC(O)CCOc1ccc(cn1)F 34a_100000742473_100012276601 [0,2,0,0,0,0|1,1,0]=4 13336 B13R1.513 CC(O)CCOc1ccc(cn1)N 34a_100000729260_100012276601 [0,2,0,0,0,0|2,0,0]=4 13337 B13R1.513 CC(O)CCOc1ccc(nc1)Br 34a_100000685995_100012276601 [0,2,0,0,0,0|1,1,0]=4 13338 B13R1.513 CC(O)CCOc1ccc(nc1)Br 7a_100000685995_100012276601 [0,2,0,0,0,0|1,1,0]=4 13339 B13R1.513 CC(O)CCOc1ccc(nc1)Cl 34a_100000744096_100012276601 [0,2,0,0,0,0|1,0,0]=3 13340 B13R1.513 CC(O)CCOc1ccc(nc1)Cl 7a_100000744096_100012276601 [0,2,0,0,0,0|1,0,0]=3 13341 B13R1.513 CC(O)CCOc1ccc(nc1)F 34a_100000688820_100012276601 [0,2,0,0,0,0|1,1,0]=4 13342 B13R1.513 CC(O)CCOc1ccc(nc1)F 7a_100000688820_100012276601 [0,2,0,0,0,0|1,1,0]=4 13343 B13R1.513 CC(O)CCOc1ccc(nc1)I 34a_100000687607_100012276601 [0,2,0,0,0,0|1,1,0]=4 13344 B13R1.513 CC(O)CCOc1ccc(nc1)I 7a_100000687607_100012276601 [0,2,0,0,0,0|1,1,0]=4 13345 B13R1.513 CC(O)CCOc1ccc(nc1)N 34a_100015188713_100012276601 [0,2,0,0,0,0|2,0,0]=4 13346 B13R1.513 CC(O)CCOc1ccc(nc1)N 7a_100015188713_100012276601 [0,2,0,0,0,0|2,0,0]=4 13347 B13R1.513 CC(O)CCOc1cnc(cn1)Cl 34a_100015839800_100012276601 [0,2,0,0,0,0|2,0,0]=4 13348 B13R1.513 CC(O)CCOc1cnc(nc1)Cl 34a_100000092845_100012276601 [0,2,0,0,0,0|2,0,0]=4 13349 B13R1.513 CC(O)CCOc1cnc(nc1)Cl 7a_100000092845_100012276601 [0,2,0,0,0,0|2,0,0]=4 13350 B13R1.513 CC(O)CCSc1ccc(cc1)Br 62a_100000752885_100012276601 [0,2,0,0,0,0|0,2,0]=4 13351 B13R1.513 CC(O)CCSc1ccc(cc1)Br 62a_100012276601_100000752885 [0,2,0,0,0,0|0,2,0]=4 13352 B13R1.513 CC(O)CCSc1ccc(cc1)Cl 62a_100000755918_100012276601 [0,2,0,0,0,0|0,1,0]=3 13353 B13R1.513 CC(O)CCSc1ccc(cc1)Cl 62a_100012276601_100000755918 [0,2,0,0,0,0|0,1,0]=3 13354 B13R1.513 CC(O)CCSc1ccc(cc1)F 62a_100000211213_100012276601 [0,2,0,0,0,0|0,2,0]=4 13355 B13R1.513 CC(O)CCSc1ccc(cc1)F 62a_100012276601_100000211213 [0,2,0,0,0,0|0,2,0]=4 13356 B13R1.513 CC(O)CCSc1ccc(cc1)N 62a_100000185761_100012276601 [0,2,0,0,0,0|1,1,0]=4 13357 B13R1.513 CC(O)CCSc1ccc(cc1)N 62a_100012276601_100000185761 [0,2,0,0,0,0|1,1,0]=4 13358 B13R1.513 CC(O)CCSc1ccc(cc1)O 62a_100012276601_100000185759 [0,2,0,0,0,0|1,1,0]=4 13359 B13R1.513 CC(O)CCSc1ccc(cn1)Cl 62a_100011356976_100012276601 [0,2,0,0,0,0|1,1,0]=4 13360 B13R1.513 CC(O)CCSc1ccc(cn1)Cl 62a_100012276601_100011356976 [0,2,0,0,0,0|1,1,0]=4 13361 B13R1.513 CC(O)CCSc1ccc(nc1)Cl 62a_100000034144_100012276601 [0,2,0,0,0,0|1,1,0]=4 13362 B13R1.513 CC(O)CCSc1ccc(nc1)Cl 62a_100012276601_100000034144 [0,2,0,0,0,0|1,1,0]=4 13363 B13R1.513 CC(O)CNCc1ccc(cc1)Br 207a_100000210904_100000186029 [0,2,0,0,0,0|1,1,0]=4 13364 B13R1.513 CC(O)CNCc1ccc(cc1)Br 2230a_100000174875_100011218427 [0,2,0,0,0,0|1,1,0]=4 13365 B13R1.513 CC(O)CNCc1ccc(cc1)Br 2230a_100000210904_100011217064 [0,2,0,0,0,0|1,1,0]=4 13366 B13R1.513 CC(O)CNCc1ccc(cc1)Br 270004a_100000210904_100000186029 [0,2,0,0,0,0|1,1,0]=4 13367 B13R1.513 CC(O)CNCc1ccc(cc1)Br 34a_100000174875_100011218427 [0,2,0,0,0,0|1,1,0]=4 13368 B13R1.513 CC(O)CNCc1ccc(cc1)Br 34a_100000210904_100000189115 [0,2,0,0,0,0|1,1,0]=4 13369 B13R1.513 CC(O)CNCc1ccc(cc1)Cl 207a_100000210904_100000189385 [0,2,0,0,0,0|1,0,0]=3 13370 B13R1.513 CC(O)CNCc1ccc(cc1)Cl 2230a_100000174871_100011218427 [0,2,0,0,0,0|1,0,0]=3 13371 B13R1.513 CC(O)CNCc1ccc(cc1)Cl 2230a_100000210904_100000694040 [0,2,0,0,0,0|1,0,0]=3 13372 B13R1.513 CC(O)CNCc1ccc(cc1)Cl 270004a_100000210904_100000189385 [0,2,0,0,0,0|1,0,0]=3 13373 B13R1.513 CC(O)CNCc1ccc(cc1)Cl 34a_100000174871_100011218427 [0,2,0,0,0,0|1,0,0]=3 13374 B13R1.513 CC(O)CNCc1ccc(cc1)Cl 34a_100000210904_100000694040 [0,2,0,0,0,0|1,0,0]=3 13375 B13R1.513 CC(O)CNCc1ccc(cc1)F 207a_100000210904_100000210084 [0,2,0,0,0,0|1,1,0]=4 13376 B13R1.513 CC(O)CNCc1ccc(cc1)F 2230a_100000174882_100011218427 [0,2,0,0,0,0|1,1,0]=4 13377 B13R1.513 CC(O)CNCc1ccc(cc1)F 2230a_100000210904_100000198546 [0,2,0,0,0,0|1,1,0]=4 13378 B13R1.513 CC(O)CNCc1ccc(cc1)F 270004a_100000210904_100000210084 [0,2,0,0,0,0|1,1,0]=4 13379 B13R1.513 CC(O)CNCc1ccc(cc1)F 34a_100000174882_100011218427 [0,2,0,0,0,0|1,1,0]=4 13380 B13R1.513 CC(O)CNCc1ccc(cc1)F 34a_100000210904_100000198546 [0,2,0,0,0,0|1,1,0]=4 13381 B13R1.513 CC(O)CNCc1ccc(cc1)I 207a_100000210904_100000188517 [0,2,0,0,0,0|1,1,0]=4 13382 B13R1.513 CC(O)CNCc1ccc(cc1)I 2230a_100000210904_100000189116 [0,2,0,0,0,0|1,1,0]=4 13383 B13R1.513 CC(O)CNCc1ccc(cc1)I 2230a_100016989417_100011218427 [0,2,0,0,0,0|1,1,0]=4 13384 B13R1.513 CC(O)CNCc1ccc(cc1)I 34a_100000210904_100000189116 [0,2,0,0,0,0|1,1,0]=4 13385 B13R1.513 CC(O)CNCc1ccc(cc1)I 34a_100016989417_100011218427 [0,2,0,0,0,0|1,1,0]=4 13386 B13R1.513 CC(O)CNCc1ccc(cc1)O 34a_100000185549_100011218427 [0,2,0,0,0,0|2,0,0]=4 13387 B13R1.513 CC(O)CNCc1ccc(cn1)Cl 207a_100000210904_100011361569 [0,2,0,0,0,0|2,0,0]=4 13388 B13R1.513 CC(O)CNCc1ccc(cn1)Cl 2230a_100000210904_100012066911 [0,2,0,0,0,0|2,0,0]=4 13389 B13R1.513 CC(O)CNCc1ccc(cn1)Cl 270004a_100000210904_100011361569 [0,2,0,0,0,0|2,0,0]=4 13390 B13R1.513 CC(O)CNCc1ccc(cn1)Cl 34a_100000210904_100012066911 [0,2,0,0,0,0|2,0,0]=4 13391 B13R1.513 CC(O)CNCc1ccc(cn1)Cl 34a_100000697193_100011218427 [0,2,0,0,0,0|2,0,0]=4 13392 B13R1.513 CC(O)CNCc1ccc(nc1)Cl 2230a_100000210904_100000735431 [0,2,0,0,0,0|2,0,0]=4 13393 B13R1.513 CC(O)CNCc1ccc(nc1)Cl 2230a_100000735879_100011218427 [0,2,0,0,0,0|2,0,0]=4 13394 B13R1.513 CC(O)CNCc1ccc(nc1)Cl 34a_100000210904_100000735431 [0,2,0,0,0,0|2,0,0]=4 13395 B13R1.513 CC(O)CNCc1ccc(nc1)Cl 34a_100000735879_100011218427 [0,2,0,0,0,0|2,0,0]=4 13396 B13R1.513 CC(O)COCc1cc[n+](cc1)C 34a_100009831711_100011218427 [0,2,0,0,0,0|2,0,0]=4 13397 B13R1.513 CC(O)COCc1cc[n+](cc1)[O-] 34a_100000031831_100011218427 [0,2,0,0,0,0|2,0,0]=4 13398 B13R1.513 CC(O)COCc1cc[n+](cc1)[O-] 7a_100000031831_100011218427 [0,2,0,0,0,0|2,0,0]=4 13399 B13R1.513 CC(O)COCc1ccc(=O)[nH]c1 34a_100011999846_100011218427 [0,2,0,0,0,0|2,0,0]=4 13400 B13R1.513 CC(O)COCc1ccc(cc1)Br 34a_100000695286_100011218427 [0,2,0,0,0,0|0,1,0]=3 13401 B13R1.513 CC(O)COCc1ccc(cc1)Cl 34a_100000211118_100011218427 [0,2,0,0,0,0|0,0,0]=2 13402 B13R1.513 CC(O)COCc1ccc(cc1)Cl 7a_100000211118_100011218427 [0,2,0,0,0,0|0,0,0]=2 13403 B13R1.513 CC(O)COCc1ccc(cc1)F 34a_100000210977_100011218427 [0,2,0,0,0,0|0,1,0]=3 13404 B13R1.513 CC(O)COCc1ccc(cc1)F 7a_100000210977_100011218427 [0,2,0,0,0,0|0,1,0]=3 13405 B13R1.513 CC(O)COCc1ccc(cc1)I 34a_100000690907_100011218427 [0,2,0,0,0,0|0,1,0]=3 13406 B13R1.513 CC(O)COCc1ccc(cc1)I 7a_100000690907_100011218427 [0,2,0,0,0,0|0,1,0]=3 13407 B13R1.513 CC(O)COCc1ccc(cc1)N 34a_100011215238_100011218427 [0,2,0,0,0,0|1,0,0]=3 13408 B13R1.513 CC(O)COCc1ccc(cn1)Br 34a_100000754261_100011218427 [0,2,0,0,0,0|1,1,0]=4 13409 B13R1.513 CC(O)COCc1ccc(cn1)Cl 34a_100000703999_100011218427 [0,2,0,0,0,0|1,0,0]=3 13410 B13R1.513 CC(O)COCc1ccc(cn1)F 34a_100011999454_100011218427 [0,2,0,0,0,0|1,1,0]=4 13411 B13R1.513 CC(O)COCc1ccc(cn1)N 34a_100011998161_100011218427 [0,2,0,0,0,0|2,0,0]=4 13412 B13R1.513 CC(O)COCc1ccc(nc1)Br 34a_100009816760_100011218427 [0,2,0,0,0,0|1,1,0]=4 13413 B13R1.513 CC(O)COCc1ccc(nc1)Br 7a_100009816760_100011218427 [0,2,0,0,0,0|1,1,0]=4 13414 B13R1.513 CC(O)COCc1ccc(nc1)Cl 34a_100000755211_100011218427 [0,2,0,0,0,0|1,0,0]=3 13415 B13R1.513 CC(O)COCc1ccc(nc1)Cl 7a_100000755211_100011218427 [0,2,0,0,0,0|1,0,0]=3 13416 B13R1.513 CC(O)COCc1ccc(nc1)F 34a_100000079959_100011218427 [0,2,0,0,0,0|1,1,0]=4 13417 B13R1.513 CC(O)COCc1ccc(nc1)N 34a_100000704267_100011218427 [0,2,0,0,0,0|2,0,0]=4 13418 B13R1.513 CC(O)COCc1cnc(cn1)Cl 34a_100012002382_100011218427 [0,2,0,0,0,0|2,0,0]=4 13419 B13R1.513 CC(O)COCc1cnc(nc1)Cl 34a_100009855073_100011218427 [0,2,0,0,0,0|2,0,0]=4 13420 B13R1.513 CC(O)COCc1cnc(nc1)Cl 7a_100009855073_100011218427 [0,2,0,0,0,0|2,0,0]=4 13421 B13R1.513 CC(O)CSCc1ccc(cc1)Br 62a_100000189115_100011218427 [0,2,0,0,0,0|0,2,0]=4 13422 B13R1.513 CC(O)CSCc1ccc(cc1)Br 62a_100011218427_100000189115 [0,2,0,0,0,0|0,2,0]=4 13423 B13R1.513 CC(O)CSCc1ccc(cc1)Cl 62a_100000187161_100011218427 [0,2,0,0,0,0|0,1,0]=3 13424 B13R1.513 CC(O)CSCc1ccc(cc1)Cl 62a_100011218427_100000187161 [0,2,0,0,0,0|0,1,0]=3 13425 B13R1.513 CC(O)CSCc1ccc(cc1)F 62a_100000198546_100011218427 [0,2,0,0,0,0|0,2,0]=4 13426 B13R1.513 CC(O)CSCc1ccc(cc1)F 62a_100011218427_100000187164 [0,2,0,0,0,0|0,2,0]=4 13427 B13R1.513 CC(O)CSCc1ccc(cc1)I 62a_100000189116_100011218427 [0,2,0,0,0,0|0,2,0]=4 13428 B13R1.513 CC(O)CSCc1ccc(cc1)I 62a_100011218427_100000189116 [0,2,0,0,0,0|0,2,0]=4 13429 B13R1.513 CC(O)CSCc1ccc(cn1)Cl 62a_100011218427_100000697101 [0,2,0,0,0,0|1,1,0]=4 13430 B13R1.513 CC(O)CSCc1ccc(cn1)Cl 62a_100012066911_100011218427 [0,2,0,0,0,0|1,1,0]=4 13431 B13R1.513 CC(O)CSCc1ccc(nc1)Cl 62a_100000735431_100011218427 [0,2,0,0,0,0|1,1,0]=4 13432 B13R1.513 CC(O)CSCc1ccc(nc1)Cl 62a_100011218427_100000735431 [0,2,0,0,0,0|1,1,0]=4 13433 B13R1.513 CN(C)CCCc1ccc(cc1)Cl 2230a_100102631434_100000759440 [0,2,0,0,0,0|2,0,0]=4 13434 B13R1.513 CN(C)CCCc1ccc(cc1)Cl 269982a_100102631434_100000759440 [0,2,0,0,0,0|2,0,0]=4 13435 B13R1.513 CN(C)CCOc1ccc(cc1)Br 2230a_100102631434_100000183278 [0,2,0,0,0,0|1,1,0]=4 13436 B13R1.513 CN(C)CCOc1ccc(cc1)Br 269982a_100102631434_100000183278 [0,2,0,0,0,0|1,1,0]=4 13437 B13R1.513 CN(C)CCOc1ccc(cc1)Br 7a_100000185759_100000755713 [0,2,0,0,0,0|1,1,0]=4 13438 B13R1.513 CN(C)CCOc1ccc(cc1)Cl 2230a_100102631434_100000184122 [0,2,0,0,0,0|1,0,0]=3 13439 B13R1.513 CN(C)CCOc1ccc(cc1)Cl 269982a_100102631434_100000184122 [0,2,0,0,0,0|1,0,0]=3 13440 B13R1.513 CN(C)CCOc1ccc(cc1)Cl 7a_100000210216_100000755713 [0,2,0,0,0,0|1,0,0]=3 13441 B13R1.513 CN(C)CCOc1ccc(cc1)F 2230a_100102631434_100000184936 [0,2,0,0,0,0|1,1,0]=4 13442 B13R1.513 CN(C)CCOc1ccc(cc1)F 269982a_100102631434_100000184936 [0,2,0,0,0,0|1,1,0]=4 13443 B13R1.513 CN(C)CCOc1ccc(cc1)I 7a_100000212066_100000755713 [0,2,0,0,0,0|1,1,0]=4 13444 B13R1.513 CN(C)CCOc1ccc(cc1)O 271570a_203496583355_100000174716 [0,2,0,0,0,0|2,0,0]=4 13445 B13R1.513 CN(C)CCOc1ccc(nc1)Cl 7a_100000744096_100000755713 [0,2,0,0,0,0|2,0,0]=4 13446 B13R1.513 CN(C)CCSc1ccc(cc1)Cl 62a_100000755918_100000755713 [0,2,0,0,0,0|1,1,0]=4 13447 B13R1.513 C[C@@H](Cl)COCc1ccc(cc1)Br 34a_100016084084_100000189115 [0,2,0,0,0,0|1,1,0]=4 13448 B13R1.513 C[C@@H](Cl)COCc1ccc(cc1)Cl 34a_100016084084_100000694040 [0,2,0,0,0,0|1,0,0]=3 13449 B13R1.513 C[C@@H](Cl)COCc1ccc(cc1)F 34a_100016084084_100000198546 [0,2,0,0,0,0|1,1,0]=4 13450 B13R1.513 C[C@@H](Cl)COCc1ccc(cc1)I 34a_100016084084_100000189116 [0,2,0,0,0,0|1,1,0]=4 13451 B13R1.513 C[C@@H](Cl)COCc1ccc(cn1)Cl 34a_100016084084_100012066911 [0,2,0,0,0,0|2,0,0]=4 13452 B13R1.513 C[C@@H](Cl)COCc1ccc(nc1)Cl 34a_100016084084_100000735431 [0,2,0,0,0,0|2,0,0]=4 13453 B13R1.513 C[C@@H](N)COCc1ccc(cc1)Br 34a_100000737577_100000189115 [0,2,0,0,0,0|1,1,0]=4 13454 B13R1.513 C[C@@H](N)COCc1ccc(cc1)Cl 34a_100000737577_100000694040 [0,2,0,0,0,0|1,0,0]=3 13455 B13R1.513 C[C@@H](N)COCc1ccc(cc1)F 34a_100000737577_100000198546 [0,2,0,0,0,0|1,1,0]=4 13456 B13R1.513 C[C@@H](N)COCc1ccc(cc1)I 34a_100000737577_100000189116 [0,2,0,0,0,0|1,1,0]=4 13457 B13R1.513 C[C@@H](N)COCc1ccc(cn1)Cl 34a_100000737577_100012066911 [0,2,0,0,0,0|2,0,0]=4 13458 B13R1.513 C[C@@H](N)COCc1ccc(nc1)Cl 34a_100000737577_100000735431 [0,2,0,0,0,0|2,0,0]=4 13459 B13R1.513 C[C@@H](O)CNCc1ccc(cc1)Br 2230a_100000174875_100009817552 [0,2,0,0,0,0|1,1,0]=4 13460 B13R1.513 C[C@@H](O)CNCc1ccc(cc1)Br 34a_100000174875_100009817552 [0,2,0,0,0,0|1,1,0]=4 13461 B13R1.513 C[C@@H](O)CNCc1ccc(cc1)Cl 2230a_100000174871_100009817552 [0,2,0,0,0,0|1,0,0]=3 13462 B13R1.513 C[C@@H](O)CNCc1ccc(cc1)Cl 34a_100000174871_100009817552 [0,2,0,0,0,0|1,0,0]=3 13463 B13R1.513 C[C@@H](O)CNCc1ccc(cc1)F 2230a_100000174882_100009817552 [0,2,0,0,0,0|1,1,0]=4 13464 B13R1.513 C[C@@H](O)CNCc1ccc(cc1)F 34a_100000174882_100009817552 [0,2,0,0,0,0|1,1,0]=4 13465 B13R1.513 C[C@@H](O)CNCc1ccc(cc1)I 2230a_100016989417_100009817552 [0,2,0,0,0,0|1,1,0]=4 13466 B13R1.513 C[C@@H](O)CNCc1ccc(cc1)I 34a_100016989417_100009817552 [0,2,0,0,0,0|1,1,0]=4 13467 B13R1.513 C[C@@H](O)CNCc1ccc(cc1)O 34a_100000185549_100009817552 [0,2,0,0,0,0|2,0,0]=4 13468 B13R1.513 C[C@@H](O)CNCc1ccc(cn1)Cl 34a_100000697193_100009817552 [0,2,0,0,0,0|2,0,0]=4 13469 B13R1.513 C[C@@H](O)CNCc1ccc(nc1)Cl 2230a_100000735879_100009817552 [0,2,0,0,0,0|2,0,0]=4 13470 B13R1.513 C[C@@H](O)CNCc1ccc(nc1)Cl 34a_100000735879_100009817552 [0,2,0,0,0,0|2,0,0]=4 13471 B13R1.513 C[C@@H](O)COCc1cc[n+](cc1)C 34a_100009831711_100009817552 [0,2,0,0,0,0|2,0,0]=4 13472 B13R1.513 C[C@@H](O)COCc1cc[n+](cc1)[O-] 34a_100000031831_100009817552 [0,2,0,0,0,0|2,0,0]=4 13473 B13R1.513 C[C@@H](O)COCc1cc[n+](cc1)[O-] 7a_100000031831_100009817552 [0,2,0,0,0,0|2,0,0]=4 13474 B13R1.513 C[C@@H](O)COCc1ccc(=O)[nH]c1 34a_100011999846_100009817552 [0,2,0,0,0,0|2,0,0]=4 13475 B13R1.513 C[C@@H](O)COCc1ccc(cc1)Br 34a_100000695286_100009817552 [0,2,0,0,0,0|0,1,0]=3 13476 B13R1.513 C[C@@H](O)COCc1ccc(cc1)Cl 34a_100000211118_100009817552 [0,2,0,0,0,0|0,0,0]=2 13477 B13R1.513 C[C@@H](O)COCc1ccc(cc1)Cl 7a_100000211118_100009817552 [0,2,0,0,0,0|0,0,0]=2 13478 B13R1.513 C[C@@H](O)COCc1ccc(cc1)F 34a_100000210977_100009817552 [0,2,0,0,0,0|0,1,0]=3 13479 B13R1.513 C[C@@H](O)COCc1ccc(cc1)F 7a_100000210977_100009817552 [0,2,0,0,0,0|0,1,0]=3 13480 B13R1.513 C[C@@H](O)COCc1ccc(cc1)I 34a_100000690907_100009817552 [0,2,0,0,0,0|0,1,0]=3 13481 B13R1.513 C[C@@H](O)COCc1ccc(cc1)I 7a_100000690907_100009817552 [0,2,0,0,0,0|0,1,0]=3 13482 B13R1.513 C[C@@H](O)COCc1ccc(cc1)N 34a_100011215238_100009817552 [0,2,0,0,0,0|1,0,0]=3 13483 B13R1.513 C[C@@H](O)COCc1ccc(cn1)Br 34a_100000754261_100009817552 [0,2,0,0,0,0|1,1,0]=4 13484 B13R1.513 C[C@@H](O)COCc1ccc(cn1)Cl 34a_100000703999_100009817552 [0,2,0,0,0,0|1,0,0]=3 13485 B13R1.513 C[C@@H](O)COCc1ccc(cn1)F 34a_100011999454_100009817552 [0,2,0,0,0,0|1,1,0]=4 13486 B13R1.513 C[C@@H](O)COCc1ccc(cn1)N 34a_100011998161_100009817552 [0,2,0,0,0,0|2,0,0]=4 13487 B13R1.513 C[C@@H](O)COCc1ccc(nc1)Br 34a_100009816760_100009817552 [0,2,0,0,0,0|1,1,0]=4 13488 B13R1.513 C[C@@H](O)COCc1ccc(nc1)Br 7a_100009816760_100009817552 [0,2,0,0,0,0|1,1,0]=4 13489 B13R1.513 C[C@@H](O)COCc1ccc(nc1)Cl 34a_100000755211_100009817552 [0,2,0,0,0,0|1,0,0]=3 13490 B13R1.513 C[C@@H](O)COCc1ccc(nc1)Cl 7a_100000755211_100009817552 [0,2,0,0,0,0|1,0,0]=3 13491 B13R1.513 C[C@@H](O)COCc1ccc(nc1)F 34a_100000079959_100009817552 [0,2,0,0,0,0|1,1,0]=4 13492 B13R1.513 C[C@@H](O)COCc1ccc(nc1)N 34a_100000704267_100009817552 [0,2,0,0,0,0|2,0,0]=4 13493 B13R1.513 C[C@@H](O)COCc1cnc(cn1)Cl 34a_100012002382_100009817552 [0,2,0,0,0,0|2,0,0]=4 13494 B13R1.513 C[C@@H](O)COCc1cnc(nc1)Cl 34a_100009855073_100009817552 [0,2,0,0,0,0|2,0,0]=4 13495 B13R1.513 C[C@@H](O)COCc1cnc(nc1)Cl 7a_100009855073_100009817552 [0,2,0,0,0,0|2,0,0]=4 13496 B13R1.513 C[C@@H](O)CSCc1ccc(cc1)Br 62a_100000189115_100009817552 [0,2,0,0,0,0|0,2,0]=4 13497 B13R1.513 C[C@@H](O)CSCc1ccc(cc1)Br 62a_100009817552_100000189115 [0,2,0,0,0,0|0,2,0]=4 13498 B13R1.513 C[C@@H](O)CSCc1ccc(cc1)Cl 62a_100000187161_100009817552 [0,2,0,0,0,0|0,1,0]=3 13499 B13R1.513 C[C@@H](O)CSCc1ccc(cc1)Cl 62a_100009817552_100000187161 [0,2,0,0,0,0|0,1,0]=3 13500 B13R1.513 C[C@@H](O)CSCc1ccc(cc1)F 62a_100000198546_100009817552 [0,2,0,0,0,0|0,2,0]=4 13501 B13R1.513 C[C@@H](O)CSCc1ccc(cc1)F 62a_100009817552_100000187164 [0,2,0,0,0,0|0,2,0]=4 13502 B13R1.513 C[C@@H](O)CSCc1ccc(cc1)I 62a_100000189116_100009817552 [0,2,0,0,0,0|0,2,0]=4 13503 B13R1.513 C[C@@H](O)CSCc1ccc(cc1)I 62a_100009817552_100000189116 [0,2,0,0,0,0|0,2,0]=4 13504 B13R1.513 C[C@@H](O)CSCc1ccc(cn1)Cl 62a_100009817552_100000697101 [0,2,0,0,0,0|1,1,0]=4 13505 B13R1.513 C[C@@H](O)CSCc1ccc(cn1)Cl 62a_100012066911_100009817552 [0,2,0,0,0,0|1,1,0]=4 13506 B13R1.513 C[C@@H](O)CSCc1ccc(nc1)Cl 62a_100000735431_100009817552 [0,2,0,0,0,0|1,1,0]=4 13507 B13R1.513 C[C@@H](O)CSCc1ccc(nc1)Cl 62a_100009817552_100000735431 [0,2,0,0,0,0|1,1,0]=4 13508 B13R1.513 Cc1ccc(cc1)CNCC(C)O 207a_100000210904_100000211033 [0,2,0,0,0,0|2,0,0]=4 13509 B13R1.513 Cc1ccc(cc1)CNCC(C)O 2230a_100000174908_100011218427 [0,2,0,0,0,0|2,0,0]=4 13510 B13R1.513 Cc1ccc(cc1)CNCC(C)O 2230a_100000210904_100000210814 [0,2,0,0,0,0|2,0,0]=4 13511 B13R1.513 Cc1ccc(cc1)CNCC(C)O 270004a_100000210904_100000211033 [0,2,0,0,0,0|2,0,0]=4 13512 B13R1.513 Cc1ccc(cc1)CNCC(C)O 34a_100000174908_100011218427 [0,2,0,0,0,0|2,0,0]=4 13513 B13R1.513 Cc1ccc(cc1)CNCC(C)O 34a_100000210904_100000210814 [0,2,0,0,0,0|2,0,0]=4 13514 B13R1.513 Cc1ccc(cc1)CNC[C@@H](C)O 2230a_100000174908_100009817552 [0,2,0,0,0,0|2,0,0]=4 13515 B13R1.513 Cc1ccc(cc1)CNC[C@@H](C)O 34a_100000174908_100009817552 [0,2,0,0,0,0|2,0,0]=4 13516 B13R1.513 Cc1ccc(cc1)COCC(C)Br 34a_100012180447_100000210814 [0,2,0,0,0,0|2,0,0]=4 13517 B13R1.513 Cc1ccc(cc1)COCC(C)C 34a_100000210257_100000210814 [0,2,0,0,0,0|2,0,0]=4 13518 B13R1.513 Cc1ccc(cc1)COCC(C)C 34a_100011215236_100000210624 [0,2,0,0,0,0|2,0,0]=4 13519 B13R1.513 Cc1ccc(cc1)COCC(C)C 7a_100011215236_100000210760 [0,2,0,0,0,0|2,0,0]=4 13520 B13R1.513 Cc1ccc(cc1)COCC(C)F 34a_100015925927_100000210814 [0,2,0,0,0,0|2,0,0]=4 13521 B13R1.513 Cc1ccc(cc1)COCC(C)O 34a_100011215236_100011218427 [0,2,0,0,0,0|1,0,0]=3 13522 B13R1.513 Cc1ccc(cc1)COCC(C)O 7a_100011215236_100011218427 [0,2,0,0,0,0|1,0,0]=3 13523 B13R1.513 Cc1ccc(cc1)COCC(F)F 34a_100000743014_100000210814 [0,2,0,0,0,0|2,0,0]=4 13524 B13R1.513 Cc1ccc(cc1)COCC(F)F 34a_100011215236_100011934356 [0,2,0,0,0,0|2,0,0]=4 13525 B13R1.513 Cc1ccc(cc1)COCC(F)F 7a_100011215236_100011934356 [0,2,0,0,0,0|2,0,0]=4 13526 B13R1.513 Cc1ccc(cc1)COC[C@@H](C)Cl 34a_100016084084_100000210814 [0,2,0,0,0,0|2,0,0]=4 13527 B13R1.513 Cc1ccc(cc1)COC[C@@H](C)N 34a_100000737577_100000210814 [0,2,0,0,0,0|2,0,0]=4 13528 B13R1.513 Cc1ccc(cc1)COC[C@@H](C)O 34a_100011215236_100009817552 [0,2,0,0,0,0|1,0,0]=3 13529 B13R1.513 Cc1ccc(cc1)COC[C@@H](C)O 7a_100011215236_100009817552 [0,2,0,0,0,0|1,0,0]=3 13530 B13R1.513 Cc1ccc(cc1)CSCC(C)O 62a_100000210814_100011218427 [0,2,0,0,0,0|1,1,0]=4 13531 B13R1.513 Cc1ccc(cc1)CSCC(C)O 62a_100011218427_100000210814 [0,2,0,0,0,0|1,1,0]=4 13532 B13R1.513 Cc1ccc(cc1)CSC[C@@H](C)O 62a_100000210814_100009817552 [0,2,0,0,0,0|1,1,0]=4 13533 B13R1.513 Cc1ccc(cc1)CSC[C@@H](C)O 62a_100009817552_100000210814 [0,2,0,0,0,0|1,1,0]=4 13534 B13R1.513 Cc1ccc(cc1)NCCC(C)O 34a_100000124888_100012276601 [0,2,0,0,0,0|2,0,0]=4 13535 B13R1.513 Cc1ccc(cc1)OCCC(=O)N 34a_100000210336_100000731001 [0,2,0,0,0,0|1,0,1]=4 13536 B13R1.513 Cc1ccc(cc1)OCCC(=O)N 7a_100000210336_100000744528 [0,2,0,0,0,0|1,0,1]=4 13537 B13R1.513 Cc1ccc(cc1)OCCC(=O)[13CH3] 1458a_100000182323_200025704644 [0,2,0,0,0,0|1,0,1]=4 13538 B13R1.513 Cc1ccc(cc1)OCCC(C)C 34a_100000210336_100000210312 [0,2,0,0,0,0|2,0,0]=4 13539 B13R1.513 Cc1ccc(cc1)OCCC(C)C 7a_100000210336_100000210626 [0,2,0,0,0,0|2,0,0]=4 13540 B13R1.513 Cc1ccc(cc1)OCCC(C)O 34a_100000210336_100012276601 [0,2,0,0,0,0|1,0,0]=3 13541 B13R1.513 Cc1ccc(cc1)OCCC(C)O 7a_100000210336_100012276601 [0,2,0,0,0,0|1,0,0]=3 13542 B13R1.513 Cc1ccc(cc1)OCCN(C)C 2230a_100015185911_200000210301 [0,2,0,0,0,0|2,0,0]=4 13543 B13R1.513 Cc1ccc(cc1)OCCN(C)C 2230a_100102631434_100000183172 [0,2,0,0,0,0|2,0,0]=4 13544 B13R1.513 Cc1ccc(cc1)OCCN(C)C 269982a_100015185911_200000210301 [0,2,0,0,0,0|2,0,0]=4 13545 B13R1.513 Cc1ccc(cc1)OCCN(C)C 269982a_100102631434_100000183172 [0,2,0,0,0,0|2,0,0]=4 13546 B13R1.513 Cc1ccc(cc1)OCCN(C)C 34a_100015185911_200000210301 [0,2,0,0,0,0|2,0,0]=4 13547 B13R1.513 Cc1ccc(cc1)OCCN(C)C 7a_100000210336_100000755713 [0,2,0,0,0,0|2,0,0]=4 13548 B13R1.513 Cc1ccc(cc1)OCCN(C)[13CH3] 2230a_100015185911_200025704644 [0,2,0,0,0,0|2,0,0]=4 13549 B13R1.513 Cc1ccc(cc1)OCCN(C)[13CH3] 269982a_100015185911_200025704644 [0,2,0,0,0,0|2,0,0]=4 13550 B13R1.513 Cc1ccc(cc1)OCCN(C)[13CH3] 34a_100015185911_200025704644 [0,2,0,0,0,0|2,0,0]=4 13551 B13R1.513 Cc1ccc(cc1)OCOC(C)C 34a_100000210336_100000709892 [0,2,0,0,0,0|2,0,0]=4 13552 B13R1.513 Cc1ccc(cc1)SCCC(C)O 62a_100000186775_100012276601 [0,2,0,0,0,0|1,1,0]=4 13553 B13R1.513 Cc1ccc(cc1)SCCC(C)O 62a_100012276601_100000186775 [0,2,0,0,0,0|1,1,0]=4 13554 B13R1.513 Cc1ccc(cn1)COCC(C)O 34a_100011248133_100011218427 [0,2,0,0,0,0|2,0,0]=4 13555 B13R1.513 Cc1ccc(cn1)COC[C@@H](C)O 34a_100011248133_100009817552 [0,2,0,0,0,0|2,0,0]=4 13556 B13R1.513 Cc1ccc(cn1)OCCC(C)O 34a_100000745506_100012276601 [0,2,0,0,0,0|2,0,0]=4 13557 B13R1.513 Cc1ccc(cn1)OCCC(C)O 7a_100000745506_100012276601 [0,2,0,0,0,0|2,0,0]=4 13558 B13R1.513 Cc1ccc(nc1)COCC(C)O 34a_100012001401_100011218427 [0,2,0,0,0,0|2,0,0]=4 13559 B13R1.513 Cc1ccc(nc1)COC[C@@H](C)O 34a_100012001401_100009817552 [0,2,0,0,0,0|2,0,0]=4 13560 B13R1.513 Cc1ccc(nc1)OCCC(C)O 34a_100000759353_100012276601 [0,2,0,0,0,0|2,0,0]=4 13561 B13R1.513 FC(F)CNCc1ccc(cc1)Cl 207a_100000765723_100000189385 [0,2,0,0,0,0|2,0,0]=4 13562 B13R1.513 FC(F)CNCc1ccc(cc1)Cl 2230a_100000174871_100011934356 [0,2,0,0,0,0|2,0,0]=4 13563 B13R1.513 FC(F)CNCc1ccc(cc1)Cl 270004a_100000765723_100000189385 [0,2,0,0,0,0|2,0,0]=4 13564 B13R1.513 FC(F)CNCc1ccc(cc1)Cl 34a_100000174871_100011934356 [0,2,0,0,0,0|2,0,0]=4 13565 B13R1.513 FC(F)CNCc1ccc(cc1)Cl 34a_100000765723_100000694040 [0,2,0,0,0,0|2,0,0]=4 13566 B13R1.513 FC(F)COCc1ccc(cc1)Br 34a_100000695286_100011934356 [0,2,0,0,0,0|1,1,0]=4 13567 B13R1.513 FC(F)COCc1ccc(cc1)Br 34a_100000743014_100000189115 [0,2,0,0,0,0|1,1,0]=4 13568 B13R1.513 FC(F)COCc1ccc(cc1)Cl 34a_100000211118_100011934356 [0,2,0,0,0,0|1,0,0]=3 13569 B13R1.513 FC(F)COCc1ccc(cc1)Cl 34a_100000743014_100000694040 [0,2,0,0,0,0|1,0,0]=3 13570 B13R1.513 FC(F)COCc1ccc(cc1)Cl 7a_100000211118_100011934356 [0,2,0,0,0,0|1,0,0]=3 13571 B13R1.513 FC(F)COCc1ccc(cc1)I 34a_100000690907_100011934356 [0,2,0,0,0,0|1,1,0]=4 13572 B13R1.513 FC(F)COCc1ccc(cc1)I 34a_100000743014_100000189116 [0,2,0,0,0,0|1,1,0]=4 13573 B13R1.513 FC(F)COCc1ccc(cc1)I 7a_100000690907_100011934356 [0,2,0,0,0,0|1,1,0]=4 13574 B13R1.513 FC(F)COCc1ccc(cn1)Cl 34a_100000703999_100011934356 [0,2,0,0,0,0|2,0,0]=4 13575 B13R1.513 FC(F)COCc1ccc(cn1)Cl 34a_100000743014_100012066911 [0,2,0,0,0,0|2,0,0]=4 13576 B13R1.513 FC(F)COCc1ccc(nc1)Cl 34a_100000743014_100000735431 [0,2,0,0,0,0|2,0,0]=4 13577 B13R1.513 FC(F)COCc1ccc(nc1)Cl 34a_100000755211_100011934356 [0,2,0,0,0,0|2,0,0]=4 13578 B13R1.513 FC(F)COCc1ccc(nc1)Cl 7a_100000755211_100011934356 [0,2,0,0,0,0|2,0,0]=4 13579 B13R1.513 FC(F)CSCc1ccc(cc1)Cl 62a_100000187161_100011934356 [0,2,0,0,0,0|1,1,0]=4 13580 B13R1.513 FC(F)CSCc1ccc(cc1)Cl 62a_100011934356_100000187161 [0,2,0,0,0,0|1,1,0]=4 13581 B13R1.513 Fc1ccc(cc1)COCC(F)F 34a_100000210977_100011934356 [0,2,0,0,0,0|1,1,0]=4 13582 B13R1.513 Fc1ccc(cc1)COCC(F)F 34a_100000743014_100000198546 [0,2,0,0,0,0|1,1,0]=4 13583 B13R1.513 Fc1ccc(cc1)COCC(F)F 7a_100000210977_100011934356 [0,2,0,0,0,0|1,1,0]=4 13584 B13R1.513 NC(=O)CCNc1ccc(cc1)Cl 2230a_100000210052_100000744528 [0,2,0,0,0,0|1,0,1]=4 13585 B13R1.513 NC(=O)CCNc1ccc(cc1)Cl 34a_100000210052_100000731001 [0,2,0,0,0,0|1,0,1]=4 13586 B13R1.513 NC(=O)CCOc1ccc(cc1)Br 34a_100000185759_100000731001 [0,2,0,0,0,0|0,1,1]=4 13587 B13R1.513 NC(=O)CCOc1ccc(cc1)Br 7a_100000185759_100000744528 [0,2,0,0,0,0|0,1,1]=4 13588 B13R1.513 NC(=O)CCOc1ccc(cc1)Cl 34a_100000210216_100000731001 [0,2,0,0,0,0|0,0,1]=3 13589 B13R1.513 NC(=O)CCOc1ccc(cc1)Cl 7a_100000210216_100000744528 [0,2,0,0,0,0|0,0,1]=3 13590 B13R1.513 NC(=O)CCOc1ccc(cc1)F 34a_100000210339_100000731001 [0,2,0,0,0,0|0,1,1]=4 13591 B13R1.513 NC(=O)CCOc1ccc(cc1)I 34a_100000212066_100000731001 [0,2,0,0,0,0|0,1,1]=4 13592 B13R1.513 NC(=O)CCOc1ccc(cc1)I 7a_100000212066_100000744528 [0,2,0,0,0,0|0,1,1]=4 13593 B13R1.513 NC(=O)CCOc1ccc(cc1)N 34a_100000185829_100000731001 [0,2,0,0,0,0|1,0,1]=4 13594 B13R1.513 NC(=O)CCOc1ccc(cn1)Cl 34a_100011215309_100000731001 [0,2,0,0,0,0|1,0,1]=4 13595 B13R1.513 NC(=O)CCOc1ccc(nc1)Cl 34a_100000744096_100000731001 [0,2,0,0,0,0|1,0,1]=4 13596 B13R1.513 NC(=O)CCOc1ccc(nc1)Cl 7a_100000744096_100000744528 [0,2,0,0,0,0|1,0,1]=4 13597 B13R1.513 NC(=O)CCSc1ccc(cc1)Cl 62a_100000744528_100000755918 [0,2,0,0,0,0|0,1,1]=4 13598 B13R1.513 NC(=O)CCSc1ccc(cc1)Cl 62a_100000755918_100000744528 [0,2,0,0,0,0|0,1,1]=4 13599 B13R1.513 NC(=O)COCc1ccc(cc1)Cl 34a_100000211118_100000187820 [0,2,0,0,0,0|0,0,2]=4 13600 B13R1.513 NC(=O)COCc1ccc(cc1)Cl 7a_100000211118_100000187820 [0,2,0,0,0,0|0,0,2]=4 13601 B13R1.513 Nc1ccc(cc1)COCC(F)F 34a_100011215238_100011934356 [0,2,0,0,0,0|2,0,0]=4 13602 B13R1.513 O=C(O)CNCc1ccc(cc1)Cl 269956a_100016091260_100000187161 [0,2,0,0,0,0|1,0,1]=4 13603 B13R1.513 O=C([O-])COCc1ccc(cc1)Cl 34a_100000211118_100020667443 [0,2,0,0,0,0|0,0,2]=4 13604 B13R1.513 O=[N+]([O-])COCc1ccc(cc1)Cl 34a_100000211118_100000761209 [0,2,0,0,0,0|1,0,1]=4 13605 B13R1.513 [13CH3]C(=O)CCCc1ccc(cc1)Cl 1458a_100000741339_200025704644 [0,2,0,0,0,0|1,0,1]=4 13606 B13R1.513 [13CH3]C(=O)CCOc1ccc(cc1)Br 1458a_100000738328_200025704644 [0,2,0,0,0,0|0,1,1]=4 13607 B13R1.513 [13CH3]C(=O)CCOc1ccc(cc1)Cl 1458a_100000186438_200025704644 [0,2,0,0,0,0|0,0,1]=3 13608 B13R1.513 [13CH3]C(=O)CCOc1ccc(cc1)F 1458a_100000737396_200025704644 [0,2,0,0,0,0|0,1,1]=4 13609 B13R1.513 [13CH3]C(=O)CCSc1ccc(cc1)Cl 1458a_100000182369_200025704644 [0,2,0,0,0,0|0,1,1]=4 13610 B13R1.669 BrCCOCc1ccc(c(c1)Br)Br 34a_100000211926_100012353900 [0,2,0,0,0,0|1,1,0]=4 13611 B13R1.669 BrCCOCc1ccc(c(c1)I)Br 34a_100000211926_100010146616 [0,2,0,0,0,0|1,1,0]=4 13612 B13R1.669 C#CCCNc1ccc(c(c1)Br)Cl 2230a_100000686031_100000688953 [0,2,0,0,0,0|2,0,0]=4 13613 B13R1.669 C#CCCNc1ccc(c(c1)Br)Cl 34a_100000686031_100000688953 [0,2,0,0,0,0|2,0,0]=4 13614 B13R1.669 C#CCCNc1ccc(c(c1)C)Cl 2230a_100000187808_100000688953 [0,2,0,0,0,0|2,0,0]=4 13615 B13R1.669 C#CCCNc1ccc(c(c1)C)Cl 34a_100000187808_100000688953 [0,2,0,0,0,0|2,0,0]=4 13616 B13R1.669 C#CCCNc1ccc(c(c1)C)Cl 7a_100000187808_100000688953 [0,2,0,0,0,0|2,0,0]=4 13617 B13R1.669 C#CCCNc1ccc(c(c1)Cl)Cl 2230a_100000184108_100000688953 [0,2,0,0,0,0|2,0,0]=4 13618 B13R1.669 C#CCCNc1ccc(c(c1)Cl)Cl 34a_100000184108_100000688953 [0,2,0,0,0,0|2,0,0]=4 13619 B13R1.669 C#CCCNc1ccc(c(c1)F)Cl 2230a_100000739366_100000688953 [0,2,0,0,0,0|2,0,0]=4 13620 B13R1.669 C#CCCNc1ccc(c(c1)F)Cl 34a_100000739366_100000688953 [0,2,0,0,0,0|2,0,0]=4 13621 B13R1.669 C#CCCNc1ccc(c(c1)F)Cl 7a_100000739366_100000688953 [0,2,0,0,0,0|2,0,0]=4 13622 B13R1.669 C#CCCNc1ccc(c(c1)I)Cl 34a_100012360549_100000688953 [0,2,0,0,0,0|2,0,0]=4 13623 B13R1.669 C#CCCNc1ccc(c(c1)O)Cl 34a_100011934209_100000688953 [0,2,0,0,0,0|2,0,0]=4 13624 B13R1.669 C#CCCOc1cc(c(cn1)Cl)C 34a_200000085746_100000688953 [0,2,0,0,0,0|2,0,0]=4 13625 B13R1.669 C#CCCOc1cc(c(cn1)Cl)Cl 34a_200000099200_100000688953 [0,2,0,0,0,0|2,0,0]=4 13626 B13R1.669 C#CCCOc1ccc(c(c1)Br)C 34a_100011380479_100000688953 [0,2,0,0,0,0|2,0,0]=4 13627 B13R1.669 C#CCCOc1ccc(c(c1)Br)C 7a_100011380479_100000688953 [0,2,0,0,0,0|2,0,0]=4 13628 B13R1.669 C#CCCOc1ccc(c(c1)Br)Cl 34a_100011933957_100000688953 [0,2,0,0,0,0|1,0,0]=3 13629 B13R1.669 C#CCCOc1ccc(c(c1)Br)Cl 7a_100011933957_100000688953 [0,2,0,0,0,0|1,0,0]=3 13630 B13R1.669 C#CCCOc1ccc(c(c1)Br)F 34a_100000693481_100000688953 [0,2,0,0,0,0|1,1,0]=4 13631 B13R1.669 C#CCCOc1ccc(c(c1)Br)F 7a_100000693481_100000688953 [0,2,0,0,0,0|1,1,0]=4 13632 B13R1.669 C#CCCOc1ccc(c(c1)Br)I 34a_100000701344_100000688953 [0,2,0,0,0,0|1,1,0]=4 13633 B13R1.669 C#CCCOc1ccc(c(c1)Br)I 7a_100000701344_100000688953 [0,2,0,0,0,0|1,1,0]=4 13634 B13R1.669 C#CCCOc1ccc(c(c1)Br)N 34a_100012001276_100000688953 [0,2,0,0,0,0|2,0,0]=4 13635 B13R1.669 C#CCCOc1ccc(c(c1)Br)N 7a_100012001276_100000688953 [0,2,0,0,0,0|2,0,0]=4 13636 B13R1.669 C#CCCOc1ccc(c(c1)C)Br 34a_100000690111_100000688953 [0,2,0,0,0,0|1,1,0]=4 13637 B13R1.669 C#CCCOc1ccc(c(c1)C)Br 7a_100000690111_100000688953 [0,2,0,0,0,0|1,1,0]=4 13638 B13R1.669 C#CCCOc1ccc(c(c1)C)C 34a_100000210932_100000688953 [0,2,0,0,0,0|2,0,0]=4 13639 B13R1.669 C#CCCOc1ccc(c(c1)C)C 7a_100000210932_100000688953 [0,2,0,0,0,0|2,0,0]=4 13640 B13R1.669 C#CCCOc1ccc(c(c1)C)Cl 34a_100000211092_100000688953 [0,2,0,0,0,0|1,0,0]=3 13641 B13R1.669 C#CCCOc1ccc(c(c1)C)Cl 7a_100000211092_100000688953 [0,2,0,0,0,0|1,0,0]=3 13642 B13R1.669 C#CCCOc1ccc(c(c1)C)F 34a_100000751312_100000688953 [0,2,0,0,0,0|1,1,0]=4 13643 B13R1.669 C#CCCOc1ccc(c(c1)C)F 7a_100000751312_100000688953 [0,2,0,0,0,0|1,1,0]=4 13644 B13R1.669 C#CCCOc1ccc(c(c1)C)I 34a_100000729255_100000688953 [0,2,0,0,0,0|1,1,0]=4 13645 B13R1.669 C#CCCOc1ccc(c(c1)C)I 7a_100000729255_100000688953 [0,2,0,0,0,0|1,1,0]=4 13646 B13R1.669 C#CCCOc1ccc(c(c1)C)N 34a_100000756630_100000688953 [0,2,0,0,0,0|2,0,0]=4 13647 B13R1.669 C#CCCOc1ccc(c(c1)C)N 7a_100000756630_100000688953 [0,2,0,0,0,0|2,0,0]=4 13648 B13R1.669 C#CCCOc1ccc(c(c1)Cl)Br 34a_100011215161_100000688953 [0,2,0,0,0,0|1,1,0]=4 13649 B13R1.669 C#CCCOc1ccc(c(c1)Cl)Br 7a_100011215161_100000688953 [0,2,0,0,0,0|1,1,0]=4 13650 B13R1.669 C#CCCOc1ccc(c(c1)Cl)C 34a_100011265682_100000688953 [0,2,0,0,0,0|2,0,0]=4 13651 B13R1.669 C#CCCOc1ccc(c(c1)Cl)C 7a_100011265682_100000688953 [0,2,0,0,0,0|2,0,0]=4 13652 B13R1.669 C#CCCOc1ccc(c(c1)Cl)Cl 34a_100000211054_100000688953 [0,2,0,0,0,0|1,0,0]=3 13653 B13R1.669 C#CCCOc1ccc(c(c1)Cl)Cl 7a_100000211054_100000688953 [0,2,0,0,0,0|1,0,0]=3 13654 B13R1.669 C#CCCOc1ccc(c(c1)Cl)F 34a_100000211030_100000688953 [0,2,0,0,0,0|1,1,0]=4 13655 B13R1.669 C#CCCOc1ccc(c(c1)Cl)F 7a_100000211030_100000688953 [0,2,0,0,0,0|1,1,0]=4 13656 B13R1.669 C#CCCOc1ccc(c(c1)Cl)I 34a_100000047559_100000688953 [0,2,0,0,0,0|1,1,0]=4 13657 B13R1.669 C#CCCOc1ccc(c(c1)Cl)I 7a_100000047559_100000688953 [0,2,0,0,0,0|1,1,0]=4 13658 B13R1.669 C#CCCOc1ccc(c(c1)Cl)N 34a_100011215599_100000688953 [0,2,0,0,0,0|2,0,0]=4 13659 B13R1.669 C#CCCOc1ccc(c(c1)Cl)N 7a_100011215599_100000688953 [0,2,0,0,0,0|2,0,0]=4 13660 B13R1.669 C#CCCOc1ccc(c(c1)F)Br 34a_100000755031_100000688953 [0,2,0,0,0,0|1,1,0]=4 13661 B13R1.669 C#CCCOc1ccc(c(c1)F)Br 7a_100000755031_100000688953 [0,2,0,0,0,0|1,1,0]=4 13662 B13R1.669 C#CCCOc1ccc(c(c1)F)C 34a_100000722560_100000688953 [0,2,0,0,0,0|2,0,0]=4 13663 B13R1.669 C#CCCOc1ccc(c(c1)F)C 7a_100000722560_100000688953 [0,2,0,0,0,0|2,0,0]=4 13664 B13R1.669 C#CCCOc1ccc(c(c1)F)Cl 34a_100000691581_100000688953 [0,2,0,0,0,0|1,0,0]=3 13665 B13R1.669 C#CCCOc1ccc(c(c1)F)Cl 7a_100000691581_100000688953 [0,2,0,0,0,0|1,0,0]=3 13666 B13R1.669 C#CCCOc1ccc(c(c1)F)F 34a_100000181275_100000688953 [0,2,0,0,0,0|1,1,0]=4 13667 B13R1.669 C#CCCOc1ccc(c(c1)F)F 7a_100000181275_100000688953 [0,2,0,0,0,0|1,1,0]=4 13668 B13R1.669 C#CCCOc1ccc(c(c1)F)I 34a_100009990212_100000688953 [0,2,0,0,0,0|1,1,0]=4 13669 B13R1.669 C#CCCOc1ccc(c(c1)F)I 7a_100009990212_100000688953 [0,2,0,0,0,0|1,1,0]=4 13670 B13R1.669 C#CCCOc1ccc(c(c1)F)N 34a_100000759473_100000688953 [0,2,0,0,0,0|2,0,0]=4 13671 B13R1.669 C#CCCOc1ccc(c(c1)F)N 7a_100000759473_100000688953 [0,2,0,0,0,0|2,0,0]=4 13672 B13R1.669 C#CCCOc1ccc(c(c1)I)Br 34a_100012339312_100000688953 [0,2,0,0,0,0|1,1,0]=4 13673 B13R1.669 C#CCCOc1ccc(c(c1)I)Br 7a_100012339312_100000688953 [0,2,0,0,0,0|1,1,0]=4 13674 B13R1.669 C#CCCOc1ccc(c(c1)I)Cl 34a_100000049588_100000688953 [0,2,0,0,0,0|1,0,0]=3 13675 B13R1.669 C#CCCOc1ccc(c(c1)I)Cl 7a_100000049588_100000688953 [0,2,0,0,0,0|1,0,0]=3 13676 B13R1.669 C#CCCOc1ccc(c(c1)I)N 34a_100010084370_100000688953 [0,2,0,0,0,0|2,0,0]=4 13677 B13R1.669 C#CCCOc1ccc(c(c1)I)N 7a_100010084370_100000688953 [0,2,0,0,0,0|2,0,0]=4 13678 B13R1.669 C#CCCOc1ccc(c(c1)N)Br 34a_100011999798_100000688953 [0,2,0,0,0,0|1,1,0]=4 13679 B13R1.669 C#CCCOc1ccc(c(c1)N)Br 7a_100011999798_100000688953 [0,2,0,0,0,0|1,1,0]=4 13680 B13R1.669 C#CCCOc1ccc(c(c1)N)C 34a_100011216113_100000688953 [0,2,0,0,0,0|2,0,0]=4 13681 B13R1.669 C#CCCOc1ccc(c(c1)N)C 7a_100011216113_100000688953 [0,2,0,0,0,0|2,0,0]=4 13682 B13R1.669 C#CCCOc1ccc(c(c1)N)Cl 34a_100011934297_100000688953 [0,2,0,0,0,0|1,0,0]=3 13683 B13R1.669 C#CCCOc1ccc(c(c1)N)F 34a_100012017239_100000688953 [0,2,0,0,0,0|1,1,0]=4 13684 B13R1.669 C#CCCOc1ccc(c(c1)N)F 7a_100012017239_100000688953 [0,2,0,0,0,0|1,1,0]=4 13685 B13R1.669 C#CCCOc1ccc(c(c1)N)N 34a_100025771000_100000688953 [0,2,0,0,0,0|2,0,0]=4 13686 B13R1.669 C#CCCOc1ccc(c(n1)C)Cl 34a_200009863735_100000688953 [0,2,0,0,0,0|2,0,0]=4 13687 B13R1.669 C#CCCOc1cnc(c(c1)Br)Cl 34a_100012356455_100000688953 [0,2,0,0,0,0|2,0,0]=4 13688 B13R1.669 C#CCCOc1cnc(c(c1)Br)Cl 7a_100012356455_100000688953 [0,2,0,0,0,0|2,0,0]=4 13689 B13R1.669 C#CCCOc1cnc(c(c1)C)Cl 34a_100012002680_100000688953 [0,2,0,0,0,0|2,0,0]=4 13690 B13R1.669 C#CCCOc1cnc(c(c1)C)Cl 7a_100012002680_100000688953 [0,2,0,0,0,0|2,0,0]=4 13691 B13R1.669 C#CCCOc1cnc(c(c1)Cl)Cl 34a_100000094354_100000688953 [0,2,0,0,0,0|2,0,0]=4 13692 B13R1.669 C#CCCOc1cnc(c(c1)Cl)Cl 7a_100000094354_100000688953 [0,2,0,0,0,0|2,0,0]=4 13693 B13R1.669 C#CCCOc1cnc(c(c1)F)Cl 34a_100000063512_100000688953 [0,2,0,0,0,0|2,0,0]=4 13694 B13R1.669 C#CCCOc1cnc(c(c1)F)Cl 7a_100000063512_100000688953 [0,2,0,0,0,0|2,0,0]=4 13695 B13R1.669 C#CCCSc1ccc(c(c1)Br)Cl 62a_100000688953_100012353702 [0,2,0,0,0,0|1,1,0]=4 13696 B13R1.669 C#CCCSc1ccc(c(c1)Br)Cl 62a_100012353702_100000688953 [0,2,0,0,0,0|1,1,0]=4 13697 B13R1.669 C#CCCSc1ccc(c(c1)C)Cl 62a_100000049509_100000688953 [0,2,0,0,0,0|1,1,0]=4 13698 B13R1.669 C#CCCSc1ccc(c(c1)C)Cl 62a_100000688953_100000049509 [0,2,0,0,0,0|1,1,0]=4 13699 B13R1.669 C#CCCSc1ccc(c(c1)Cl)Cl 62a_100000688953_100011214914 [0,2,0,0,0,0|1,1,0]=4 13700 B13R1.669 C#CCCSc1ccc(c(c1)Cl)Cl 62a_100011214914_100000688953 [0,2,0,0,0,0|1,1,0]=4 13701 B13R1.669 C#CCCSc1ccc(c(c1)F)Cl 62a_100000688953_100011216805 [0,2,0,0,0,0|1,1,0]=4 13702 B13R1.669 C#CCCSc1ccc(c(c1)F)Cl 62a_100011216805_100000688953 [0,2,0,0,0,0|1,1,0]=4 13703 B13R1.669 C#CCCSc1ccc(c(c1)N)Cl 62a_100000688953_200000761891 [0,2,0,0,0,0|1,1,0]=4 13704 B13R1.669 C#CCCSc1ccc(c(c1)N)Cl 62a_200000761891_100000688953 [0,2,0,0,0,0|1,1,0]=4 13705 B13R1.669 C#CCCSc1ccc(c(c1)O)Cl 62a_100000688953_100011356854 [0,2,0,0,0,0|1,1,0]=4 13706 B13R1.669 C#CCCSc1ccc(c(c1)O)Cl 62a_100011356854_100000688953 [0,2,0,0,0,0|1,1,0]=4 13707 B13R1.669 C#CCOCc1ccc(c(c1)Br)Cl 34a_100000210247_100012353894 [0,2,0,0,0,0|1,0,1]=4 13708 B13R1.669 C#CCOCc1ccc(c(c1)Br)Cl 34a_100012353893_100000184674 [0,2,0,0,0,0|1,0,1]=4 13709 B13R1.669 C#CCOCc1ccc(c(c1)Br)Cl 7a_100012353893_100000038162 [0,2,0,0,0,0|1,0,1]=4 13710 B13R1.669 C#CCOCc1ccc(c(c1)C)Cl 34a_100000210247_100012184735 [0,2,0,0,0,0|1,0,1]=4 13711 B13R1.669 C#CCOCc1ccc(c(c1)Cl)Cl 34a_100000210247_100000184707 [0,2,0,0,0,0|1,0,1]=4 13712 B13R1.669 C#CCOCc1ccc(c(c1)Cl)Cl 34a_100000211588_100000184674 [0,2,0,0,0,0|1,0,1]=4 13713 B13R1.669 C#CCOCc1ccc(c(c1)Cl)Cl 7a_100000211588_100000038162 [0,2,0,0,0,0|1,0,1]=4 13714 B13R1.669 C#CCOCc1ccc(c(c1)F)Cl 34a_100000210247_100011519011 [0,2,0,0,0,0|1,0,1]=4 13715 B13R1.669 C#CCOCc1ccc(c(c1)F)Cl 34a_100011218299_100000184674 [0,2,0,0,0,0|1,0,1]=4 13716 B13R1.669 C#CCOCc1ccc(c(c1)F)Cl 7a_100011218299_100000038162 [0,2,0,0,0,0|1,0,1]=4 13717 B13R1.669 C#CCOCc1ccc(c(c1)N)Cl 34a_106256033963_100000184674 [0,2,0,0,0,0|1,0,1]=4 13718 B13R1.669 C/C=C/COc1ccc(c(c1)Br)Cl 34a_100011933957_100102629194 [0,2,0,0,0,0|1,0,1]=4 13719 B13R1.669 C/C=C/COc1ccc(c(c1)Br)Cl 7a_100011933957_100102629194 [0,2,0,0,0,0|1,0,1]=4 13720 B13R1.669 C/C=C/COc1ccc(c(c1)C)Cl 34a_100000211092_100102629194 [0,2,0,0,0,0|1,0,1]=4 13721 B13R1.669 C/C=C/COc1ccc(c(c1)C)Cl 7a_100000211092_100102629194 [0,2,0,0,0,0|1,0,1]=4 13722 B13R1.669 C/C=C/COc1ccc(c(c1)Cl)Cl 34a_100000211054_100102629194 [0,2,0,0,0,0|1,0,1]=4 13723 B13R1.669 C/C=C/COc1ccc(c(c1)Cl)Cl 7a_100000211054_100102629194 [0,2,0,0,0,0|1,0,1]=4 13724 B13R1.669 C/C=C/COc1ccc(c(c1)F)Cl 34a_100000691581_100102629194 [0,2,0,0,0,0|1,0,1]=4 13725 B13R1.669 C/C=C/COc1ccc(c(c1)F)Cl 7a_100000691581_100102629194 [0,2,0,0,0,0|1,0,1]=4 13726 B13R1.669 C/C=C/COc1ccc(c(c1)I)Cl 34a_100000049588_100102629194 [0,2,0,0,0,0|1,0,1]=4 13727 B13R1.669 C/C=C/COc1ccc(c(c1)I)Cl 7a_100000049588_100102629194 [0,2,0,0,0,0|1,0,1]=4 13728 B13R1.669 C/C=C/COc1ccc(c(c1)N)Cl 34a_100011934297_100102629194 [0,2,0,0,0,0|1,0,1]=4 13729 B13R1.669 C=CCCNc1ccc(c(c1)Br)Cl 2230a_100000686031_100000754431 [0,2,0,0,0,0|2,0,0]=4 13730 B13R1.669 C=CCCNc1ccc(c(c1)Br)Cl 34a_100000686031_100000754431 [0,2,0,0,0,0|2,0,0]=4 13731 B13R1.669 C=CCCNc1ccc(c(c1)C)Cl 2230a_100000187808_100000754431 [0,2,0,0,0,0|2,0,0]=4 13732 B13R1.669 C=CCCNc1ccc(c(c1)C)Cl 34a_100000187808_100000754431 [0,2,0,0,0,0|2,0,0]=4 13733 B13R1.669 C=CCCNc1ccc(c(c1)C)Cl 7a_100000187808_100000754431 [0,2,0,0,0,0|2,0,0]=4 13734 B13R1.669 C=CCCNc1ccc(c(c1)Cl)Cl 2230a_100000184108_100000754431 [0,2,0,0,0,0|2,0,0]=4 13735 B13R1.669 C=CCCNc1ccc(c(c1)Cl)Cl 34a_100000184108_100000754431 [0,2,0,0,0,0|2,0,0]=4 13736 B13R1.669 C=CCCNc1ccc(c(c1)F)Cl 2230a_100000739366_100000754431 [0,2,0,0,0,0|2,0,0]=4 13737 B13R1.669 C=CCCNc1ccc(c(c1)F)Cl 34a_100000739366_100000754431 [0,2,0,0,0,0|2,0,0]=4 13738 B13R1.669 C=CCCNc1ccc(c(c1)F)Cl 7a_100000739366_100000754431 [0,2,0,0,0,0|2,0,0]=4 13739 B13R1.669 C=CCCNc1ccc(c(c1)I)Cl 34a_100012360549_100000754431 [0,2,0,0,0,0|2,0,0]=4 13740 B13R1.669 C=CCCNc1ccc(c(c1)O)Cl 34a_100011934209_100000754431 [0,2,0,0,0,0|2,0,0]=4 13741 B13R1.669 C=CCCOc1cc(c(cn1)Cl)C 34a_200000085746_100000754431 [0,2,0,0,0,0|2,0,0]=4 13742 B13R1.669 C=CCCOc1cc(c(cn1)Cl)Cl 34a_200000099200_100000754431 [0,2,0,0,0,0|2,0,0]=4 13743 B13R1.669 C=CCCOc1ccc(c(c1)Br)C 34a_100011380479_100000754431 [0,2,0,0,0,0|2,0,0]=4 13744 B13R1.669 C=CCCOc1ccc(c(c1)Br)C 7a_100011380479_100000754431 [0,2,0,0,0,0|2,0,0]=4 13745 B13R1.669 C=CCCOc1ccc(c(c1)Br)Cl 34a_100011933957_100000754431 [0,2,0,0,0,0|1,0,0]=3 13746 B13R1.669 C=CCCOc1ccc(c(c1)Br)Cl 7a_100011933957_100000754431 [0,2,0,0,0,0|1,0,0]=3 13747 B13R1.669 C=CCCOc1ccc(c(c1)Br)F 34a_100000693481_100000754431 [0,2,0,0,0,0|1,1,0]=4 13748 B13R1.669 C=CCCOc1ccc(c(c1)Br)F 7a_100000693481_100000754431 [0,2,0,0,0,0|1,1,0]=4 13749 B13R1.669 C=CCCOc1ccc(c(c1)Br)I 34a_100000701344_100000754431 [0,2,0,0,0,0|1,1,0]=4 13750 B13R1.669 C=CCCOc1ccc(c(c1)Br)I 7a_100000701344_100000754431 [0,2,0,0,0,0|1,1,0]=4 13751 B13R1.669 C=CCCOc1ccc(c(c1)Br)N 34a_100012001276_100000754431 [0,2,0,0,0,0|2,0,0]=4 13752 B13R1.669 C=CCCOc1ccc(c(c1)Br)N 7a_100012001276_100000754431 [0,2,0,0,0,0|2,0,0]=4 13753 B13R1.669 C=CCCOc1ccc(c(c1)C)Br 34a_100000690111_100000754431 [0,2,0,0,0,0|1,1,0]=4 13754 B13R1.669 C=CCCOc1ccc(c(c1)C)Br 7a_100000690111_100000754431 [0,2,0,0,0,0|1,1,0]=4 13755 B13R1.669 C=CCCOc1ccc(c(c1)C)C 34a_100000210932_100000754431 [0,2,0,0,0,0|2,0,0]=4 13756 B13R1.669 C=CCCOc1ccc(c(c1)C)C 7a_100000210932_100000754431 [0,2,0,0,0,0|2,0,0]=4 13757 B13R1.669 C=CCCOc1ccc(c(c1)C)Cl 34a_100000211092_100000754431 [0,2,0,0,0,0|1,0,0]=3 13758 B13R1.669 C=CCCOc1ccc(c(c1)C)Cl 7a_100000211092_100000754431 [0,2,0,0,0,0|1,0,0]=3 13759 B13R1.669 C=CCCOc1ccc(c(c1)C)F 34a_100000751312_100000754431 [0,2,0,0,0,0|1,1,0]=4 13760 B13R1.669 C=CCCOc1ccc(c(c1)C)F 7a_100000751312_100000754431 [0,2,0,0,0,0|1,1,0]=4 13761 B13R1.669 C=CCCOc1ccc(c(c1)C)I 34a_100000729255_100000754431 [0,2,0,0,0,0|1,1,0]=4 13762 B13R1.669 C=CCCOc1ccc(c(c1)C)I 7a_100000729255_100000754431 [0,2,0,0,0,0|1,1,0]=4 13763 B13R1.669 C=CCCOc1ccc(c(c1)C)N 34a_100000756630_100000754431 [0,2,0,0,0,0|2,0,0]=4 13764 B13R1.669 C=CCCOc1ccc(c(c1)C)N 7a_100000756630_100000754431 [0,2,0,0,0,0|2,0,0]=4 13765 B13R1.669 C=CCCOc1ccc(c(c1)Cl)Br 34a_100011215161_100000754431 [0,2,0,0,0,0|1,1,0]=4 13766 B13R1.669 C=CCCOc1ccc(c(c1)Cl)Br 7a_100011215161_100000754431 [0,2,0,0,0,0|1,1,0]=4 13767 B13R1.669 C=CCCOc1ccc(c(c1)Cl)C 34a_100011265682_100000754431 [0,2,0,0,0,0|2,0,0]=4 13768 B13R1.669 C=CCCOc1ccc(c(c1)Cl)C 7a_100011265682_100000754431 [0,2,0,0,0,0|2,0,0]=4 13769 B13R1.669 C=CCCOc1ccc(c(c1)Cl)Cl 34a_100000211054_100000754431 [0,2,0,0,0,0|1,0,0]=3 13770 B13R1.669 C=CCCOc1ccc(c(c1)Cl)Cl 7a_100000211054_100000754431 [0,2,0,0,0,0|1,0,0]=3 13771 B13R1.669 C=CCCOc1ccc(c(c1)Cl)F 34a_100000211030_100000754431 [0,2,0,0,0,0|1,1,0]=4 13772 B13R1.669 C=CCCOc1ccc(c(c1)Cl)F 7a_100000211030_100000754431 [0,2,0,0,0,0|1,1,0]=4 13773 B13R1.669 C=CCCOc1ccc(c(c1)Cl)I 34a_100000047559_100000754431 [0,2,0,0,0,0|1,1,0]=4 13774 B13R1.669 C=CCCOc1ccc(c(c1)Cl)I 7a_100000047559_100000754431 [0,2,0,0,0,0|1,1,0]=4 13775 B13R1.669 C=CCCOc1ccc(c(c1)Cl)N 34a_100011215599_100000754431 [0,2,0,0,0,0|2,0,0]=4 13776 B13R1.669 C=CCCOc1ccc(c(c1)Cl)N 7a_100011215599_100000754431 [0,2,0,0,0,0|2,0,0]=4 13777 B13R1.669 C=CCCOc1ccc(c(c1)F)Br 34a_100000755031_100000754431 [0,2,0,0,0,0|1,1,0]=4 13778 B13R1.669 C=CCCOc1ccc(c(c1)F)Br 7a_100000755031_100000754431 [0,2,0,0,0,0|1,1,0]=4 13779 B13R1.669 C=CCCOc1ccc(c(c1)F)C 34a_100000722560_100000754431 [0,2,0,0,0,0|2,0,0]=4 13780 B13R1.669 C=CCCOc1ccc(c(c1)F)C 7a_100000722560_100000754431 [0,2,0,0,0,0|2,0,0]=4 13781 B13R1.669 C=CCCOc1ccc(c(c1)F)Cl 34a_100000691581_100000754431 [0,2,0,0,0,0|1,0,0]=3 13782 B13R1.669 C=CCCOc1ccc(c(c1)F)Cl 7a_100000691581_100000754431 [0,2,0,0,0,0|1,0,0]=3 13783 B13R1.669 C=CCCOc1ccc(c(c1)F)F 34a_100000181275_100000754431 [0,2,0,0,0,0|1,1,0]=4 13784 B13R1.669 C=CCCOc1ccc(c(c1)F)F 7a_100000181275_100000754431 [0,2,0,0,0,0|1,1,0]=4 13785 B13R1.669 C=CCCOc1ccc(c(c1)F)I 34a_100009990212_100000754431 [0,2,0,0,0,0|1,1,0]=4 13786 B13R1.669 C=CCCOc1ccc(c(c1)F)I 7a_100009990212_100000754431 [0,2,0,0,0,0|1,1,0]=4 13787 B13R1.669 C=CCCOc1ccc(c(c1)F)N 34a_100000759473_100000754431 [0,2,0,0,0,0|2,0,0]=4 13788 B13R1.669 C=CCCOc1ccc(c(c1)F)N 7a_100000759473_100000754431 [0,2,0,0,0,0|2,0,0]=4 13789 B13R1.669 C=CCCOc1ccc(c(c1)I)Br 34a_100012339312_100000754431 [0,2,0,0,0,0|1,1,0]=4 13790 B13R1.669 C=CCCOc1ccc(c(c1)I)Br 7a_100012339312_100000754431 [0,2,0,0,0,0|1,1,0]=4 13791 B13R1.669 C=CCCOc1ccc(c(c1)I)Cl 34a_100000049588_100000754431 [0,2,0,0,0,0|1,0,0]=3 13792 B13R1.669 C=CCCOc1ccc(c(c1)I)Cl 7a_100000049588_100000754431 [0,2,0,0,0,0|1,0,0]=3 13793 B13R1.669 C=CCCOc1ccc(c(c1)I)N 34a_100010084370_100000754431 [0,2,0,0,0,0|2,0,0]=4 13794 B13R1.669 C=CCCOc1ccc(c(c1)I)N 7a_100010084370_100000754431 [0,2,0,0,0,0|2,0,0]=4 13795 B13R1.669 C=CCCOc1ccc(c(c1)N)Br 34a_100011999798_100000754431 [0,2,0,0,0,0|1,1,0]=4 13796 B13R1.669 C=CCCOc1ccc(c(c1)N)Br 7a_100011999798_100000754431 [0,2,0,0,0,0|1,1,0]=4 13797 B13R1.669 C=CCCOc1ccc(c(c1)N)C 34a_100011216113_100000754431 [0,2,0,0,0,0|2,0,0]=4 13798 B13R1.669 C=CCCOc1ccc(c(c1)N)C 7a_100011216113_100000754431 [0,2,0,0,0,0|2,0,0]=4 13799 B13R1.669 C=CCCOc1ccc(c(c1)N)Cl 34a_100011934297_100000754431 [0,2,0,0,0,0|1,0,0]=3 13800 B13R1.669 C=CCCOc1ccc(c(c1)N)F 34a_100012017239_100000754431 [0,2,0,0,0,0|1,1,0]=4 13801 B13R1.669 C=CCCOc1ccc(c(c1)N)F 7a_100012017239_100000754431 [0,2,0,0,0,0|1,1,0]=4 13802 B13R1.669 C=CCCOc1ccc(c(c1)N)N 34a_100025771000_100000754431 [0,2,0,0,0,0|2,0,0]=4 13803 B13R1.669 C=CCCOc1ccc(c(n1)C)Cl 34a_200009863735_100000754431 [0,2,0,0,0,0|2,0,0]=4 13804 B13R1.669 C=CCCOc1cnc(c(c1)Br)Cl 34a_100012356455_100000754431 [0,2,0,0,0,0|2,0,0]=4 13805 B13R1.669 C=CCCOc1cnc(c(c1)Br)Cl 7a_100012356455_100000754431 [0,2,0,0,0,0|2,0,0]=4 13806 B13R1.669 C=CCCOc1cnc(c(c1)C)Cl 34a_100012002680_100000754431 [0,2,0,0,0,0|2,0,0]=4 13807 B13R1.669 C=CCCOc1cnc(c(c1)C)Cl 7a_100012002680_100000754431 [0,2,0,0,0,0|2,0,0]=4 13808 B13R1.669 C=CCCOc1cnc(c(c1)Cl)Cl 34a_100000094354_100000754431 [0,2,0,0,0,0|2,0,0]=4 13809 B13R1.669 C=CCCOc1cnc(c(c1)Cl)Cl 7a_100000094354_100000754431 [0,2,0,0,0,0|2,0,0]=4 13810 B13R1.669 C=CCCOc1cnc(c(c1)F)Cl 34a_100000063512_100000754431 [0,2,0,0,0,0|2,0,0]=4 13811 B13R1.669 C=CCCOc1cnc(c(c1)F)Cl 7a_100000063512_100000754431 [0,2,0,0,0,0|2,0,0]=4 13812 B13R1.669 C=CCCSc1ccc(c(c1)Br)Cl 62a_100000754431_100012353702 [0,2,0,0,0,0|1,1,0]=4 13813 B13R1.669 C=CCCSc1ccc(c(c1)Br)Cl 62a_100012353702_100000754431 [0,2,0,0,0,0|1,1,0]=4 13814 B13R1.669 C=CCCSc1ccc(c(c1)C)Cl 62a_100000049509_100000754431 [0,2,0,0,0,0|1,1,0]=4 13815 B13R1.669 C=CCCSc1ccc(c(c1)C)Cl 62a_100000754431_100000049509 [0,2,0,0,0,0|1,1,0]=4 13816 B13R1.669 C=CCCSc1ccc(c(c1)Cl)Cl 62a_100000754431_100011214914 [0,2,0,0,0,0|1,1,0]=4 13817 B13R1.669 C=CCCSc1ccc(c(c1)Cl)Cl 62a_100011214914_100000754431 [0,2,0,0,0,0|1,1,0]=4 13818 B13R1.669 C=CCCSc1ccc(c(c1)F)Cl 62a_100000754431_100011216805 [0,2,0,0,0,0|1,1,0]=4 13819 B13R1.669 C=CCCSc1ccc(c(c1)F)Cl 62a_100011216805_100000754431 [0,2,0,0,0,0|1,1,0]=4 13820 B13R1.669 C=CCCSc1ccc(c(c1)N)Cl 62a_100000754431_200000761891 [0,2,0,0,0,0|1,1,0]=4 13821 B13R1.669 C=CCCSc1ccc(c(c1)N)Cl 62a_200000761891_100000754431 [0,2,0,0,0,0|1,1,0]=4 13822 B13R1.669 C=CCCSc1ccc(c(c1)O)Cl 62a_100000754431_100011356854 [0,2,0,0,0,0|1,1,0]=4 13823 B13R1.669 C=CCCSc1ccc(c(c1)O)Cl 62a_100011356854_100000754431 [0,2,0,0,0,0|1,1,0]=4 13824 B13R1.669 C=CCOCc1ccc(c(c1)Br)Cl 34a_100012353893_100015514636 [0,2,0,0,0,0|1,0,1]=4 13825 B13R1.669 C=CCOCc1ccc(c(c1)Br)Cl 34a_200000210373_100012353894 [0,2,0,0,0,0|1,0,1]=4 13826 B13R1.669 C=CCOCc1ccc(c(c1)Br)Cl 7a_100012353893_100015514636 [0,2,0,0,0,0|1,0,1]=4 13827 B13R1.669 C=CCOCc1ccc(c(c1)C)Cl 34a_200000210373_100012184735 [0,2,0,0,0,0|1,0,1]=4 13828 B13R1.669 C=CCOCc1ccc(c(c1)Cl)Cl 34a_100000211588_100015514636 [0,2,0,0,0,0|1,0,1]=4 13829 B13R1.669 C=CCOCc1ccc(c(c1)Cl)Cl 34a_200000210373_100000184707 [0,2,0,0,0,0|1,0,1]=4 13830 B13R1.669 C=CCOCc1ccc(c(c1)Cl)Cl 7a_100000211588_100015514636 [0,2,0,0,0,0|1,0,1]=4 13831 B13R1.669 C=CCOCc1ccc(c(c1)F)Cl 34a_100011218299_100015514636 [0,2,0,0,0,0|1,0,1]=4 13832 B13R1.669 C=CCOCc1ccc(c(c1)F)Cl 34a_200000210373_100011519011 [0,2,0,0,0,0|1,0,1]=4 13833 B13R1.669 C=CCOCc1ccc(c(c1)F)Cl 7a_100011218299_100015514636 [0,2,0,0,0,0|1,0,1]=4 13834 B13R1.669 C=CCOCc1ccc(c(c1)N)Cl 34a_106256033963_100015514636 [0,2,0,0,0,0|1,0,1]=4 13835 B13R1.669 CC#CCOc1ccc(c(c1)Br)Cl 34a_100011933957_100000748600 [0,2,0,0,0,0|1,0,1]=4 13836 B13R1.669 CC#CCOc1ccc(c(c1)Br)Cl 7a_100011933957_100000748600 [0,2,0,0,0,0|1,0,1]=4 13837 B13R1.669 CC#CCOc1ccc(c(c1)C)Cl 34a_100000211092_100000748600 [0,2,0,0,0,0|1,0,1]=4 13838 B13R1.669 CC#CCOc1ccc(c(c1)C)Cl 7a_100000211092_100000748600 [0,2,0,0,0,0|1,0,1]=4 13839 B13R1.669 CC#CCOc1ccc(c(c1)Cl)Cl 34a_100000211054_100000748600 [0,2,0,0,0,0|1,0,1]=4 13840 B13R1.669 CC#CCOc1ccc(c(c1)Cl)Cl 7a_100000211054_100000748600 [0,2,0,0,0,0|1,0,1]=4 13841 B13R1.669 CC#CCOc1ccc(c(c1)F)Cl 34a_100000691581_100000748600 [0,2,0,0,0,0|1,0,1]=4 13842 B13R1.669 CC#CCOc1ccc(c(c1)F)Cl 7a_100000691581_100000748600 [0,2,0,0,0,0|1,0,1]=4 13843 B13R1.669 CC#CCOc1ccc(c(c1)I)Cl 34a_100000049588_100000748600 [0,2,0,0,0,0|1,0,1]=4 13844 B13R1.669 CC#CCOc1ccc(c(c1)I)Cl 7a_100000049588_100000748600 [0,2,0,0,0,0|1,0,1]=4 13845 B13R1.669 CC#CCOc1ccc(c(c1)N)Cl 34a_100011934297_100000748600 [0,2,0,0,0,0|1,0,1]=4 13846 B13R1.669 CC=CCOc1ccc(c(c1)Br)Cl 34a_100011933957_100000070051 [0,2,0,0,0,0|1,0,1]=4 13847 B13R1.669 CC=CCOc1ccc(c(c1)Br)Cl 7a_100011933957_100000070051 [0,2,0,0,0,0|1,0,1]=4 13848 B13R1.669 CC=CCOc1ccc(c(c1)C)Cl 34a_100000211092_100000070051 [0,2,0,0,0,0|1,0,1]=4 13849 B13R1.669 CC=CCOc1ccc(c(c1)C)Cl 7a_100000211092_100000070051 [0,2,0,0,0,0|1,0,1]=4 13850 B13R1.669 CC=CCOc1ccc(c(c1)Cl)Cl 34a_100000211054_100000070051 [0,2,0,0,0,0|1,0,1]=4 13851 B13R1.669 CC=CCOc1ccc(c(c1)Cl)Cl 7a_100000211054_100000070051 [0,2,0,0,0,0|1,0,1]=4 13852 B13R1.669 CC=CCOc1ccc(c(c1)F)Cl 34a_100000691581_100000070051 [0,2,0,0,0,0|1,0,1]=4 13853 B13R1.669 CC=CCOc1ccc(c(c1)F)Cl 7a_100000691581_100000070051 [0,2,0,0,0,0|1,0,1]=4 13854 B13R1.669 CC=CCOc1ccc(c(c1)I)Cl 34a_100000049588_100000070051 [0,2,0,0,0,0|1,0,1]=4 13855 B13R1.669 CC=CCOc1ccc(c(c1)I)Cl 7a_100000049588_100000070051 [0,2,0,0,0,0|1,0,1]=4 13856 B13R1.669 CC=CCOc1ccc(c(c1)N)Cl 34a_100011934297_100000070051 [0,2,0,0,0,0|1,0,1]=4 13857 B13R1.669 CCCC=Cc1ccc(c(c1)Br)Cl 271570a_100016258520_100012353702 [0,2,0,0,0,0|2,0,0]=4 13858 B13R1.669 CCCC=Cc1ccc(c(c1)C)Cl 271570a_100016258520_100000049509 [0,2,0,0,0,0|2,0,0]=4 13859 B13R1.669 CCCC=Cc1ccc(c(c1)Cl)Cl 271570a_100016258520_100011214914 [0,2,0,0,0,0|2,0,0]=4 13860 B13R1.669 CCCC=Cc1ccc(c(c1)F)Cl 271570a_100016258520_100011216805 [0,2,0,0,0,0|2,0,0]=4 13861 B13R1.669 CCCC=Cc1ccc(c(c1)N)Cl 271570a_100016258520_200000761891 [0,2,0,0,0,0|2,0,0]=4 13862 B13R1.669 CCCC=Cc1ccc(c(c1)O)Cl 271570a_100016258520_100011356854 [0,2,0,0,0,0|2,0,0]=4 13863 B13R1.669 CCCCNc1ccc(c(c1)Br)Cl 2230a_100000686031_100000210211 [0,2,0,0,0,0|2,0,0]=4 13864 B13R1.669 CCCCNc1ccc(c(c1)Br)Cl 34a_100000686031_100000210210 [0,2,0,0,0,0|2,0,0]=4 13865 B13R1.669 CCCCNc1ccc(c(c1)C)Cl 2230a_100000187808_100000210211 [0,2,0,0,0,0|2,0,0]=4 13866 B13R1.669 CCCCNc1ccc(c(c1)C)Cl 34a_100000187808_100000210210 [0,2,0,0,0,0|2,0,0]=4 13867 B13R1.669 CCCCNc1ccc(c(c1)C)Cl 7a_100000187808_100000210211 [0,2,0,0,0,0|2,0,0]=4 13868 B13R1.669 CCCCNc1ccc(c(c1)Cl)Cl 2230a_100000184108_100000210211 [0,2,0,0,0,0|2,0,0]=4 13869 B13R1.669 CCCCNc1ccc(c(c1)Cl)Cl 34a_100000184108_100000210210 [0,2,0,0,0,0|2,0,0]=4 13870 B13R1.669 CCCCNc1ccc(c(c1)F)Cl 2230a_100000739366_100000210211 [0,2,0,0,0,0|2,0,0]=4 13871 B13R1.669 CCCCNc1ccc(c(c1)F)Cl 34a_100000739366_100000210210 [0,2,0,0,0,0|2,0,0]=4 13872 B13R1.669 CCCCNc1ccc(c(c1)F)Cl 7a_100000739366_100000210211 [0,2,0,0,0,0|2,0,0]=4 13873 B13R1.669 CCCCNc1ccc(c(c1)I)Cl 34a_100012360549_100000210210 [0,2,0,0,0,0|2,0,0]=4 13874 B13R1.669 CCCCNc1ccc(c(c1)O)Cl 34a_100011934209_100000210210 [0,2,0,0,0,0|2,0,0]=4 13875 B13R1.669 CCCCOc1cc(c(cn1)Cl)C 34a_200000085746_100000210210 [0,2,0,0,0,0|2,0,0]=4 13876 B13R1.669 CCCCOc1cc(c(cn1)Cl)Cl 34a_200000099200_100000210210 [0,2,0,0,0,0|2,0,0]=4 13877 B13R1.669 CCCCOc1ccc(c(c1)Br)C 34a_100011380479_100000210210 [0,2,0,0,0,0|2,0,0]=4 13878 B13R1.669 CCCCOc1ccc(c(c1)Br)C 7a_100011380479_100000210211 [0,2,0,0,0,0|2,0,0]=4 13879 B13R1.669 CCCCOc1ccc(c(c1)Br)Cl 34a_100011933957_100000210210 [0,2,0,0,0,0|1,0,0]=3 13880 B13R1.669 CCCCOc1ccc(c(c1)Br)Cl 7a_100011933957_100000210211 [0,2,0,0,0,0|1,0,0]=3 13881 B13R1.669 CCCCOc1ccc(c(c1)Br)F 34a_100000693481_100000210210 [0,2,0,0,0,0|1,1,0]=4 13882 B13R1.669 CCCCOc1ccc(c(c1)Br)F 7a_100000693481_100000210211 [0,2,0,0,0,0|1,1,0]=4 13883 B13R1.669 CCCCOc1ccc(c(c1)Br)I 34a_100000701344_100000210210 [0,2,0,0,0,0|1,1,0]=4 13884 B13R1.669 CCCCOc1ccc(c(c1)Br)I 7a_100000701344_100000210211 [0,2,0,0,0,0|1,1,0]=4 13885 B13R1.669 CCCCOc1ccc(c(c1)Br)N 34a_100012001276_100000210210 [0,2,0,0,0,0|2,0,0]=4 13886 B13R1.669 CCCCOc1ccc(c(c1)Br)N 7a_100012001276_100000210211 [0,2,0,0,0,0|2,0,0]=4 13887 B13R1.669 CCCCOc1ccc(c(c1)C)Br 34a_100000690111_100000210210 [0,2,0,0,0,0|1,1,0]=4 13888 B13R1.669 CCCCOc1ccc(c(c1)C)Br 7a_100000690111_100000210211 [0,2,0,0,0,0|1,1,0]=4 13889 B13R1.669 CCCCOc1ccc(c(c1)C)C 34a_100000210932_100000210210 [0,2,0,0,0,0|2,0,0]=4 13890 B13R1.669 CCCCOc1ccc(c(c1)C)C 7a_100000210932_100000210211 [0,2,0,0,0,0|2,0,0]=4 13891 B13R1.669 CCCCOc1ccc(c(c1)C)Cl 34a_100000211092_100000210210 [0,2,0,0,0,0|1,0,0]=3 13892 B13R1.669 CCCCOc1ccc(c(c1)C)Cl 7a_100000211092_100000210211 [0,2,0,0,0,0|1,0,0]=3 13893 B13R1.669 CCCCOc1ccc(c(c1)C)F 34a_100000751312_100000210210 [0,2,0,0,0,0|1,1,0]=4 13894 B13R1.669 CCCCOc1ccc(c(c1)C)F 7a_100000751312_100000210211 [0,2,0,0,0,0|1,1,0]=4 13895 B13R1.669 CCCCOc1ccc(c(c1)C)I 34a_100000729255_100000210210 [0,2,0,0,0,0|1,1,0]=4 13896 B13R1.669 CCCCOc1ccc(c(c1)C)I 7a_100000729255_100000210211 [0,2,0,0,0,0|1,1,0]=4 13897 B13R1.669 CCCCOc1ccc(c(c1)C)N 34a_100000756630_100000210210 [0,2,0,0,0,0|2,0,0]=4 13898 B13R1.669 CCCCOc1ccc(c(c1)C)N 7a_100000756630_100000210211 [0,2,0,0,0,0|2,0,0]=4 13899 B13R1.669 CCCCOc1ccc(c(c1)C)O 271570a_203496583355_200012350294 [0,2,0,0,0,0|2,0,0]=4 13900 B13R1.669 CCCCOc1ccc(c(c1)Cl)Br 34a_100011215161_100000210210 [0,2,0,0,0,0|1,1,0]=4 13901 B13R1.669 CCCCOc1ccc(c(c1)Cl)Br 7a_100011215161_100000210211 [0,2,0,0,0,0|1,1,0]=4 13902 B13R1.669 CCCCOc1ccc(c(c1)Cl)C 34a_100011265682_100000210210 [0,2,0,0,0,0|2,0,0]=4 13903 B13R1.669 CCCCOc1ccc(c(c1)Cl)C 7a_100011265682_100000210211 [0,2,0,0,0,0|2,0,0]=4 13904 B13R1.669 CCCCOc1ccc(c(c1)Cl)Cl 34a_100000211054_100000210210 [0,2,0,0,0,0|1,0,0]=3 13905 B13R1.669 CCCCOc1ccc(c(c1)Cl)Cl 7a_100000211054_100000210211 [0,2,0,0,0,0|1,0,0]=3 13906 B13R1.669 CCCCOc1ccc(c(c1)Cl)F 34a_100000211030_100000210210 [0,2,0,0,0,0|1,1,0]=4 13907 B13R1.669 CCCCOc1ccc(c(c1)Cl)F 7a_100000211030_100000210211 [0,2,0,0,0,0|1,1,0]=4 13908 B13R1.669 CCCCOc1ccc(c(c1)Cl)I 34a_100000047559_100000210210 [0,2,0,0,0,0|1,1,0]=4 13909 B13R1.669 CCCCOc1ccc(c(c1)Cl)I 7a_100000047559_100000210211 [0,2,0,0,0,0|1,1,0]=4 13910 B13R1.669 CCCCOc1ccc(c(c1)Cl)N 34a_100011215599_100000210210 [0,2,0,0,0,0|2,0,0]=4 13911 B13R1.669 CCCCOc1ccc(c(c1)Cl)N 7a_100011215599_100000210211 [0,2,0,0,0,0|2,0,0]=4 13912 B13R1.669 CCCCOc1ccc(c(c1)F)Br 34a_100000755031_100000210210 [0,2,0,0,0,0|1,1,0]=4 13913 B13R1.669 CCCCOc1ccc(c(c1)F)Br 7a_100000755031_100000210211 [0,2,0,0,0,0|1,1,0]=4 13914 B13R1.669 CCCCOc1ccc(c(c1)F)C 34a_100000722560_100000210210 [0,2,0,0,0,0|2,0,0]=4 13915 B13R1.669 CCCCOc1ccc(c(c1)F)C 7a_100000722560_100000210211 [0,2,0,0,0,0|2,0,0]=4 13916 B13R1.669 CCCCOc1ccc(c(c1)F)Cl 34a_100000691581_100000210210 [0,2,0,0,0,0|1,0,0]=3 13917 B13R1.669 CCCCOc1ccc(c(c1)F)Cl 7a_100000691581_100000210211 [0,2,0,0,0,0|1,0,0]=3 13918 B13R1.669 CCCCOc1ccc(c(c1)F)F 34a_100000181275_100000210210 [0,2,0,0,0,0|1,1,0]=4 13919 B13R1.669 CCCCOc1ccc(c(c1)F)F 7a_100000181275_100000210211 [0,2,0,0,0,0|1,1,0]=4 13920 B13R1.669 CCCCOc1ccc(c(c1)F)I 34a_100009990212_100000210210 [0,2,0,0,0,0|1,1,0]=4 13921 B13R1.669 CCCCOc1ccc(c(c1)F)I 7a_100009990212_100000210211 [0,2,0,0,0,0|1,1,0]=4 13922 B13R1.669 CCCCOc1ccc(c(c1)F)N 34a_100000759473_100000210210 [0,2,0,0,0,0|2,0,0]=4 13923 B13R1.669 CCCCOc1ccc(c(c1)F)N 7a_100000759473_100000210211 [0,2,0,0,0,0|2,0,0]=4 13924 B13R1.669 CCCCOc1ccc(c(c1)F)O 271570a_203496583355_200012236941 [0,2,0,0,0,0|2,0,0]=4 13925 B13R1.669 CCCCOc1ccc(c(c1)I)Br 34a_100012339312_100000210210 [0,2,0,0,0,0|1,1,0]=4 13926 B13R1.669 CCCCOc1ccc(c(c1)I)Br 7a_100012339312_100000210211 [0,2,0,0,0,0|1,1,0]=4 13927 B13R1.669 CCCCOc1ccc(c(c1)I)Cl 34a_100000049588_100000210210 [0,2,0,0,0,0|1,0,0]=3 13928 B13R1.669 CCCCOc1ccc(c(c1)I)Cl 7a_100000049588_100000210211 [0,2,0,0,0,0|1,0,0]=3 13929 B13R1.669 CCCCOc1ccc(c(c1)I)N 34a_100010084370_100000210210 [0,2,0,0,0,0|2,0,0]=4 13930 B13R1.669 CCCCOc1ccc(c(c1)I)N 7a_100010084370_100000210211 [0,2,0,0,0,0|2,0,0]=4 13931 B13R1.669 CCCCOc1ccc(c(c1)N)Br 34a_100011999798_100000210210 [0,2,0,0,0,0|1,1,0]=4 13932 B13R1.669 CCCCOc1ccc(c(c1)N)Br 7a_100011999798_100000210211 [0,2,0,0,0,0|1,1,0]=4 13933 B13R1.669 CCCCOc1ccc(c(c1)N)C 34a_100011216113_100000210210 [0,2,0,0,0,0|2,0,0]=4 13934 B13R1.669 CCCCOc1ccc(c(c1)N)C 7a_100011216113_100000210211 [0,2,0,0,0,0|2,0,0]=4 13935 B13R1.669 CCCCOc1ccc(c(c1)N)Cl 34a_100011934297_100000210210 [0,2,0,0,0,0|1,0,0]=3 13936 B13R1.669 CCCCOc1ccc(c(c1)N)F 34a_100012017239_100000210210 [0,2,0,0,0,0|1,1,0]=4 13937 B13R1.669 CCCCOc1ccc(c(c1)N)F 7a_100012017239_100000210211 [0,2,0,0,0,0|1,1,0]=4 13938 B13R1.669 CCCCOc1ccc(c(c1)N)N 34a_100025771000_100000210210 [0,2,0,0,0,0|2,0,0]=4 13939 B13R1.669 CCCCOc1ccc(c(n1)C)Cl 34a_200009863735_100000210210 [0,2,0,0,0,0|2,0,0]=4 13940 B13R1.669 CCCCOc1cnc(c(c1)Br)Cl 34a_100012356455_100000210210 [0,2,0,0,0,0|2,0,0]=4 13941 B13R1.669 CCCCOc1cnc(c(c1)Br)Cl 7a_100012356455_100000210211 [0,2,0,0,0,0|2,0,0]=4 13942 B13R1.669 CCCCOc1cnc(c(c1)C)Cl 34a_100012002680_100000210210 [0,2,0,0,0,0|2,0,0]=4 13943 B13R1.669 CCCCOc1cnc(c(c1)C)Cl 7a_100012002680_100000210211 [0,2,0,0,0,0|2,0,0]=4 13944 B13R1.669 CCCCOc1cnc(c(c1)Cl)Cl 34a_100000094354_100000210210 [0,2,0,0,0,0|2,0,0]=4 13945 B13R1.669 CCCCOc1cnc(c(c1)Cl)Cl 7a_100000094354_100000210211 [0,2,0,0,0,0|2,0,0]=4 13946 B13R1.669 CCCCOc1cnc(c(c1)F)Cl 34a_100000063512_100000210210 [0,2,0,0,0,0|2,0,0]=4 13947 B13R1.669 CCCCOc1cnc(c(c1)F)Cl 7a_100000063512_100000210211 [0,2,0,0,0,0|2,0,0]=4 13948 B13R1.669 CCCCSc1ccc(c(c1)Br)Cl 62a_100000210211_100012353702 [0,2,0,0,0,0|1,1,0]=4 13949 B13R1.669 CCCCSc1ccc(c(c1)Br)Cl 62a_100012353702_100000210210 [0,2,0,0,0,0|1,1,0]=4 13950 B13R1.669 CCCCSc1ccc(c(c1)C)Cl 62a_100000049509_100000210210 [0,2,0,0,0,0|1,1,0]=4 13951 B13R1.669 CCCCSc1ccc(c(c1)C)Cl 62a_100000210211_100000049509 [0,2,0,0,0,0|1,1,0]=4 13952 B13R1.669 CCCCSc1ccc(c(c1)Cl)Cl 62a_100000210211_100011214914 [0,2,0,0,0,0|1,1,0]=4 13953 B13R1.669 CCCCSc1ccc(c(c1)Cl)Cl 62a_100011214914_100000210210 [0,2,0,0,0,0|1,1,0]=4 13954 B13R1.669 CCCCSc1ccc(c(c1)F)Cl 62a_100000210211_100011216805 [0,2,0,0,0,0|1,1,0]=4 13955 B13R1.669 CCCCSc1ccc(c(c1)F)Cl 62a_100011216805_100000210210 [0,2,0,0,0,0|1,1,0]=4 13956 B13R1.669 CCCCSc1ccc(c(c1)N)Cl 62a_100000210211_200000761891 [0,2,0,0,0,0|1,1,0]=4 13957 B13R1.669 CCCCSc1ccc(c(c1)N)Cl 62a_200000761891_100000210210 [0,2,0,0,0,0|1,1,0]=4 13958 B13R1.669 CCCCSc1ccc(c(c1)O)Cl 62a_100000210211_100011356854 [0,2,0,0,0,0|1,1,0]=4 13959 B13R1.669 CCCCSc1ccc(c(c1)O)Cl 62a_100011356854_100000210210 [0,2,0,0,0,0|1,1,0]=4 13960 B13R1.669 CCCNCc1ccc(c(c1)Br)Cl 207a_100020643023_100000693810 [0,2,0,0,0,0|2,0,0]=4 13961 B13R1.669 CCCNCc1ccc(c(c1)Br)Cl 2230a_100012349490_100000210303 [0,2,0,0,0,0|2,0,0]=4 13962 B13R1.669 CCCNCc1ccc(c(c1)Br)Cl 270004a_100020643023_100000693810 [0,2,0,0,0,0|2,0,0]=4 13963 B13R1.669 CCCNCc1ccc(c(c1)Br)Cl 34a_100012349490_100000210303 [0,2,0,0,0,0|2,0,0]=4 13964 B13R1.669 CCCNCc1ccc(c(c1)C)Cl 207a_100020643023_100000698814 [0,2,0,0,0,0|2,0,0]=4 13965 B13R1.669 CCCNCc1ccc(c(c1)C)Cl 270004a_100020643023_100000698814 [0,2,0,0,0,0|2,0,0]=4 13966 B13R1.669 CCCNCc1ccc(c(c1)Cl)Cl 207a_100020643023_100000188533 [0,2,0,0,0,0|2,0,0]=4 13967 B13R1.669 CCCNCc1ccc(c(c1)Cl)Cl 2230a_100000174881_100000210303 [0,2,0,0,0,0|2,0,0]=4 13968 B13R1.669 CCCNCc1ccc(c(c1)Cl)Cl 270004a_100020643023_100000188533 [0,2,0,0,0,0|2,0,0]=4 13969 B13R1.669 CCCNCc1ccc(c(c1)Cl)Cl 34a_100000174881_100000210303 [0,2,0,0,0,0|2,0,0]=4 13970 B13R1.669 CCCNCc1ccc(c(c1)F)Cl 207a_100020643023_100000745630 [0,2,0,0,0,0|2,0,0]=4 13971 B13R1.669 CCCNCc1ccc(c(c1)F)Cl 2230a_100011219866_100000210303 [0,2,0,0,0,0|2,0,0]=4 13972 B13R1.669 CCCNCc1ccc(c(c1)F)Cl 270004a_100020643023_100000745630 [0,2,0,0,0,0|2,0,0]=4 13973 B13R1.669 CCCNCc1ccc(c(c1)F)Cl 34a_100011219866_100000210303 [0,2,0,0,0,0|2,0,0]=4 13974 B13R1.669 CCCNCc1ccc(c(c1)I)Cl 207a_100020643023_100010209939 [0,2,0,0,0,0|2,0,0]=4 13975 B13R1.669 CCCNCc1ccc(c(c1)I)Cl 270004a_100020643023_100010209939 [0,2,0,0,0,0|2,0,0]=4 13976 B13R1.669 CCCNCc1ccc(c(c1)O)Cl 34a_100020636435_100000210303 [0,2,0,0,0,0|2,0,0]=4 13977 B13R1.669 CCCOCc1ccc(c(c1)Br)Br 34a_100000210258_100012353900 [0,2,0,0,0,0|1,1,0]=4 13978 B13R1.669 CCCOCc1ccc(c(c1)Br)C 34a_100000210258_100012232412 [0,2,0,0,0,0|2,0,0]=4 13979 B13R1.669 CCCOCc1ccc(c(c1)Br)C 34a_100000708995_100000210303 [0,2,0,0,0,0|2,0,0]=4 13980 B13R1.669 CCCOCc1ccc(c(c1)Br)C 7a_100000708995_100000210303 [0,2,0,0,0,0|2,0,0]=4 13981 B13R1.669 CCCOCc1ccc(c(c1)Br)Cl 34a_100000210258_100012353894 [0,2,0,0,0,0|1,0,0]=3 13982 B13R1.669 CCCOCc1ccc(c(c1)Br)Cl 34a_100012353893_100000210303 [0,2,0,0,0,0|1,0,0]=3 13983 B13R1.669 CCCOCc1ccc(c(c1)Br)Cl 7a_100012353893_100000210303 [0,2,0,0,0,0|1,0,0]=3 13984 B13R1.669 CCCOCc1ccc(c(c1)Br)F 34a_100000210258_100011206884 [0,2,0,0,0,0|1,1,0]=4 13985 B13R1.669 CCCOCc1ccc(c(c1)Br)F 34a_100000246287_100000210303 [0,2,0,0,0,0|1,1,0]=4 13986 B13R1.669 CCCOCc1ccc(c(c1)Br)F 7a_100000246287_100000210303 [0,2,0,0,0,0|1,1,0]=4 13987 B13R1.669 CCCOCc1ccc(c(c1)C)Br 34a_100000210258_100000727479 [0,2,0,0,0,0|1,1,0]=4 13988 B13R1.669 CCCOCc1ccc(c(c1)C)Br 34a_100000718852_100000210303 [0,2,0,0,0,0|1,1,0]=4 13989 B13R1.669 CCCOCc1ccc(c(c1)C)Br 7a_100000718852_100000210303 [0,2,0,0,0,0|1,1,0]=4 13990 B13R1.669 CCCOCc1ccc(c(c1)C)C 34a_100000210258_100000742320 [0,2,0,0,0,0|2,0,0]=4 13991 B13R1.669 CCCOCc1ccc(c(c1)C)C 34a_100011215342_100000210303 [0,2,0,0,0,0|2,0,0]=4 13992 B13R1.669 CCCOCc1ccc(c(c1)C)C 7a_100011215342_100000210303 [0,2,0,0,0,0|2,0,0]=4 13993 B13R1.669 CCCOCc1ccc(c(c1)C)Cl 34a_100000210258_100012184735 [0,2,0,0,0,0|1,0,0]=3 13994 B13R1.669 CCCOCc1ccc(c(c1)C)F 34a_100000210258_100011216667 [0,2,0,0,0,0|1,1,0]=4 13995 B13R1.669 CCCOCc1ccc(c(c1)C)F 34a_100011219793_100000210303 [0,2,0,0,0,0|1,1,0]=4 13996 B13R1.669 CCCOCc1ccc(c(c1)C)F 7a_100011219793_100000210303 [0,2,0,0,0,0|1,1,0]=4 13997 B13R1.669 CCCOCc1ccc(c(c1)C)N 34a_200011997030_100000210303 [0,2,0,0,0,0|2,0,0]=4 13998 B13R1.669 CCCOCc1ccc(c(c1)Cl)Br 34a_100000210258_100012353895 [0,2,0,0,0,0|1,1,0]=4 13999 B13R1.669 CCCOCc1ccc(c(c1)Cl)Br 34a_100000709168_100000210303 [0,2,0,0,0,0|1,1,0]=4 14000 B13R1.669 CCCOCc1ccc(c(c1)Cl)Br 7a_100000709168_100000210303 [0,2,0,0,0,0|1,1,0]=4 14001 B13R1.669 CCCOCc1ccc(c(c1)Cl)C 34a_100000210258_100011823929 [0,2,0,0,0,0|2,0,0]=4 14002 B13R1.669 CCCOCc1ccc(c(c1)Cl)C 34a_100011290783_100000210303 [0,2,0,0,0,0|2,0,0]=4 14003 B13R1.669 CCCOCc1ccc(c(c1)Cl)C 7a_100011290783_100000210303 [0,2,0,0,0,0|2,0,0]=4 14004 B13R1.669 CCCOCc1ccc(c(c1)Cl)Cl 34a_100000210258_100000184707 [0,2,0,0,0,0|1,0,0]=3 14005 B13R1.669 CCCOCc1ccc(c(c1)Cl)Cl 34a_100000211588_100000210303 [0,2,0,0,0,0|1,0,0]=3 14006 B13R1.669 CCCOCc1ccc(c(c1)Cl)Cl 7a_100000211588_100000210303 [0,2,0,0,0,0|1,0,0]=3 14007 B13R1.669 CCCOCc1ccc(c(c1)Cl)F 34a_100000210258_100011934319 [0,2,0,0,0,0|1,1,0]=4 14008 B13R1.669 CCCOCc1ccc(c(c1)Cl)F 34a_100011217911_100000210303 [0,2,0,0,0,0|1,1,0]=4 14009 B13R1.669 CCCOCc1ccc(c(c1)Cl)F 7a_100011217911_100000210303 [0,2,0,0,0,0|1,1,0]=4 14010 B13R1.669 CCCOCc1ccc(c(c1)Cl)I 34a_100000210258_100012349665 [0,2,0,0,0,0|1,1,0]=4 14011 B13R1.669 CCCOCc1ccc(c(c1)Cl)I 34a_100000718186_100000210303 [0,2,0,0,0,0|1,1,0]=4 14012 B13R1.669 CCCOCc1ccc(c(c1)Cl)I 7a_100000718186_100000210303 [0,2,0,0,0,0|1,1,0]=4 14013 B13R1.669 CCCOCc1ccc(c(c1)F)Br 34a_100000210258_100000767054 [0,2,0,0,0,0|1,1,0]=4 14014 B13R1.669 CCCOCc1ccc(c(c1)F)Br 34a_100011533735_100000210303 [0,2,0,0,0,0|1,1,0]=4 14015 B13R1.669 CCCOCc1ccc(c(c1)F)Br 7a_100011533735_100000210303 [0,2,0,0,0,0|1,1,0]=4 14016 B13R1.669 CCCOCc1ccc(c(c1)F)C 34a_100000210258_100011217369 [0,2,0,0,0,0|2,0,0]=4 14017 B13R1.669 CCCOCc1ccc(c(c1)F)C 34a_100000702247_100000210303 [0,2,0,0,0,0|2,0,0]=4 14018 B13R1.669 CCCOCc1ccc(c(c1)F)C 7a_100000702247_100000210303 [0,2,0,0,0,0|2,0,0]=4 14019 B13R1.669 CCCOCc1ccc(c(c1)F)Cl 34a_100000210258_100011519011 [0,2,0,0,0,0|1,0,0]=3 14020 B13R1.669 CCCOCc1ccc(c(c1)F)Cl 34a_100011218299_100000210303 [0,2,0,0,0,0|1,0,0]=3 14021 B13R1.669 CCCOCc1ccc(c(c1)F)Cl 7a_100011218299_100000210303 [0,2,0,0,0,0|1,0,0]=3 14022 B13R1.669 CCCOCc1ccc(c(c1)F)F 34a_100000210258_100000757363 [0,2,0,0,0,0|1,1,0]=4 14023 B13R1.669 CCCOCc1ccc(c(c1)F)F 34a_100011215442_100000210303 [0,2,0,0,0,0|1,1,0]=4 14024 B13R1.669 CCCOCc1ccc(c(c1)F)F 7a_100011215442_100000210303 [0,2,0,0,0,0|1,1,0]=4 14025 B13R1.669 CCCOCc1ccc(c(c1)F)I 34a_100000210258_100010149604 [0,2,0,0,0,0|1,1,0]=4 14026 B13R1.669 CCCOCc1ccc(c(c1)F)I 34a_100010149597_100000210303 [0,2,0,0,0,0|1,1,0]=4 14027 B13R1.669 CCCOCc1ccc(c(c1)F)I 7a_100010149597_100000210303 [0,2,0,0,0,0|1,1,0]=4 14028 B13R1.669 CCCOCc1ccc(c(c1)F)N 34a_100011217239_100000210303 [0,2,0,0,0,0|2,0,0]=4 14029 B13R1.669 CCCOCc1ccc(c(c1)I)Br 34a_100000210258_100010146616 [0,2,0,0,0,0|1,1,0]=4 14030 B13R1.669 CCCOCc1ccc(c(c1)I)C 34a_100000050133_100000210303 [0,2,0,0,0,0|2,0,0]=4 14031 B13R1.669 CCCOCc1ccc(c(c1)I)C 34a_100000210258_100010206137 [0,2,0,0,0,0|2,0,0]=4 14032 B13R1.669 CCCOCc1ccc(c(c1)I)C 7a_100000050133_100000210303 [0,2,0,0,0,0|2,0,0]=4 14033 B13R1.669 CCCOCc1ccc(c(c1)I)F 34a_100000049585_100000210303 [0,2,0,0,0,0|1,1,0]=4 14034 B13R1.669 CCCOCc1ccc(c(c1)I)F 34a_100000210258_100010188208 [0,2,0,0,0,0|1,1,0]=4 14035 B13R1.669 CCCOCc1ccc(c(c1)I)F 7a_100000049585_100000210303 [0,2,0,0,0,0|1,1,0]=4 14036 B13R1.669 CCCOCc1ccc(c(c1)N)Br 34a_100012347568_100000210303 [0,2,0,0,0,0|1,1,0]=4 14037 B13R1.669 CCCOCc1ccc(c(c1)N)C 34a_100000758420_100000210303 [0,2,0,0,0,0|2,0,0]=4 14038 B13R1.669 CCCOCc1ccc(c(c1)N)Cl 34a_106256033963_100000210303 [0,2,0,0,0,0|1,0,0]=3 14039 B13R1.669 CCCOCc1ccc(c(c1)N)F 34a_102125399562_100000210303 [0,2,0,0,0,0|1,1,0]=4 14040 B13R1.669 CCCOCc1cnc(c(c1)Br)Cl 34a_100010201731_100000210303 [0,2,0,0,0,0|2,0,0]=4 14041 B13R1.669 CCCOCc1cnc(c(c1)Br)Cl 7a_100010201731_100000210303 [0,2,0,0,0,0|2,0,0]=4 14042 B13R1.669 CCCOCc1cnc(c(c1)C)Cl 34a_200000092119_100000210303 [0,2,0,0,0,0|2,0,0]=4 14043 B13R1.669 CCCOCc1cnc(c(c1)C)Cl 7a_200000092119_100000210303 [0,2,0,0,0,0|2,0,0]=4 14044 B13R1.669 CCCOCc1cnc(c(c1)Cl)Cl 34a_100000042784_100000210303 [0,2,0,0,0,0|2,0,0]=4 14045 B13R1.669 CCCOCc1cnc(c(c1)Cl)Cl 34a_100000210258_100009843750 [0,2,0,0,0,0|2,0,0]=4 14046 B13R1.669 CCCOCc1cnc(c(c1)Cl)Cl 7a_100000042784_100000210303 [0,2,0,0,0,0|2,0,0]=4 14047 B13R1.669 CCCOCc1cnc(c(c1)I)Cl 34a_100000210258_100011072623 [0,2,0,0,0,0|2,0,0]=4 14048 B13R1.669 CCCOCc1cnc(c(c1)I)Cl 34a_200015217190_100000210303 [0,2,0,0,0,0|2,0,0]=4 14049 B13R1.669 CCCOCc1cnc(c(c1)I)Cl 7a_200015217190_100000210303 [0,2,0,0,0,0|2,0,0]=4 14050 B13R1.669 CCCSCc1ccc(c(c1)Br)Cl 62a_100000210303_100012353894 [0,2,0,0,0,0|1,1,0]=4 14051 B13R1.669 CCCSCc1ccc(c(c1)Br)Cl 62a_100012353894_100000210303 [0,2,0,0,0,0|1,1,0]=4 14052 B13R1.669 CCCSCc1ccc(c(c1)C)Cl 62a_100000210303_100012184735 [0,2,0,0,0,0|1,1,0]=4 14053 B13R1.669 CCCSCc1ccc(c(c1)C)Cl 62a_100012184735_100000210303 [0,2,0,0,0,0|1,1,0]=4 14054 B13R1.669 CCCSCc1ccc(c(c1)Cl)Cl 62a_100000184707_100000210303 [0,2,0,0,0,0|1,1,0]=4 14055 B13R1.669 CCCSCc1ccc(c(c1)Cl)Cl 62a_100000210303_100000184707 [0,2,0,0,0,0|1,1,0]=4 14056 B13R1.669 CCCSCc1ccc(c(c1)F)Cl 62a_100000210303_100000716492 [0,2,0,0,0,0|1,1,0]=4 14057 B13R1.669 CCCSCc1ccc(c(c1)F)Cl 62a_100000716492_100000210303 [0,2,0,0,0,0|1,1,0]=4 14058 B13R1.669 CCNCCc1ccc(c(c1)Cl)Cl 2230a_100011207230_100000210202 [0,2,0,0,0,0|2,0,0]=4 14059 B13R1.669 CCNCCc1ccc(c(c1)Cl)Cl 2230a_100015525214_100011713676 [0,2,0,0,0,0|2,0,0]=4 14060 B13R1.669 CCNCCc1ccc(c(c1)Cl)Cl 34a_100011207230_100000210202 [0,2,0,0,0,0|2,0,0]=4 14061 B13R1.669 CCOCCc1ccc(c(c1)Cl)Cl 34a_100011709245_100000210202 [0,2,0,0,0,0|2,0,0]=4 14062 B13R1.669 CCOCCc1ccc(c(c1)Cl)Cl 34a_100121572206_100011713676 [0,2,0,0,0,0|2,0,0]=4 14063 B13R1.669 CCOCCc1ccc(c(c1)Cl)Cl 7a_100011709245_100000210202 [0,2,0,0,0,0|2,0,0]=4 14064 B13R1.669 CCOCCc1ccc(c(c1)F)Cl 34a_100011934464_100000210202 [0,2,0,0,0,0|2,0,0]=4 14065 B13R1.669 CCOCCc1ccc(c(c1)F)Cl 7a_100011934464_100000210202 [0,2,0,0,0,0|2,0,0]=4 14066 B13R1.669 CCOCSc1ccc(c(c1)Br)Cl 62a_100000739092_100012353702 [0,2,0,0,0,0|1,1,0]=4 14067 B13R1.669 CCOCSc1ccc(c(c1)Br)Cl 62a_100012353702_100000739092 [0,2,0,0,0,0|1,1,0]=4 14068 B13R1.669 CCOCSc1ccc(c(c1)C)Cl 62a_100000049509_100000739092 [0,2,0,0,0,0|1,1,0]=4 14069 B13R1.669 CCOCSc1ccc(c(c1)C)Cl 62a_100000739092_100000049509 [0,2,0,0,0,0|1,1,0]=4 14070 B13R1.669 CCOCSc1ccc(c(c1)Cl)Cl 62a_100000739092_100011214914 [0,2,0,0,0,0|1,1,0]=4 14071 B13R1.669 CCOCSc1ccc(c(c1)Cl)Cl 62a_100011214914_100000739092 [0,2,0,0,0,0|1,1,0]=4 14072 B13R1.669 CCOCSc1ccc(c(c1)F)Cl 62a_100000739092_100011216805 [0,2,0,0,0,0|1,1,0]=4 14073 B13R1.669 CCOCSc1ccc(c(c1)F)Cl 62a_100011216805_100000739092 [0,2,0,0,0,0|1,1,0]=4 14074 B13R1.669 CCOCSc1ccc(c(c1)N)Cl 62a_100000739092_200000761891 [0,2,0,0,0,0|1,1,0]=4 14075 B13R1.669 CCOCSc1ccc(c(c1)N)Cl 62a_200000761891_100000739092 [0,2,0,0,0,0|1,1,0]=4 14076 B13R1.669 CCOCSc1ccc(c(c1)O)Cl 62a_100000739092_100011356854 [0,2,0,0,0,0|1,1,0]=4 14077 B13R1.669 CCOCSc1ccc(c(c1)O)Cl 62a_100011356854_100000739092 [0,2,0,0,0,0|1,1,0]=4 14078 B13R1.669 CCSCCc1ccc(c(c1)Cl)Cl 62a_100000210202_100011713676 [0,2,0,0,0,0|2,0,0]=4 14079 B13R1.669 CCSCCc1ccc(c(c1)Cl)Cl 62a_100011713676_100000210202 [0,2,0,0,0,0|2,0,0]=4 14080 B13R1.669 CNCCOc1ccc(c(c1)C)C 2230a_100015185357_200000210301 [0,2,0,0,0,0|2,0,0]=4 14081 B13R1.669 CNCCOc1ccc(c(c1)C)C 2230a_106832991635_200011210794 [0,2,0,0,0,0|2,0,0]=4 14082 B13R1.669 CNCCOc1ccc(c(c1)C)C 34a_100015185357_200000210301 [0,2,0,0,0,0|2,0,0]=4 14083 B13R1.669 CNCCOc1ccc(c(c1)C)C 34a_100102657272_200011210794 [0,2,0,0,0,0|2,0,0]=4 14084 B13R1.669 CNCCOc1ccc(c(c1)C)C 7a_106832991635_200011210794 [0,2,0,0,0,0|2,0,0]=4 14085 B13R1.669 CNCCOc1ccc(c(c1)C)Cl 2230a_100025718798_200000210301 [0,2,0,0,0,0|1,0,0]=3 14086 B13R1.669 CNCCOc1ccc(c(c1)C)Cl 34a_100025718798_200000210301 [0,2,0,0,0,0|1,0,0]=3 14087 B13R1.669 CNCCOc1ccc(c(c1)Cl)Cl 2230a_100015199673_200000210301 [0,2,0,0,0,0|1,0,0]=3 14088 B13R1.669 CNCCOc1ccc(c(c1)Cl)Cl 34a_100015199673_200000210301 [0,2,0,0,0,0|1,0,0]=3 14089 B13R1.669 CNCCOc1ccc(c(c1)Cl)F 2230a_106832991635_100011936913 [0,2,0,0,0,0|1,1,0]=4 14090 B13R1.669 CNCCOc1ccc(c(c1)Cl)F 34a_100102657272_100011936913 [0,2,0,0,0,0|1,1,0]=4 14091 B13R1.669 CNCCOc1ccc(c(c1)Cl)F 7a_106832991635_100011936913 [0,2,0,0,0,0|1,1,0]=4 14092 B13R1.669 COCC=Cc1ccc(c(c1)Br)Cl 271570a_100016286323_100012353702 [0,2,0,0,0,0|1,0,1]=4 14093 B13R1.669 COCC=Cc1ccc(c(c1)C)Cl 271570a_100016286323_100000049509 [0,2,0,0,0,0|1,0,1]=4 14094 B13R1.669 COCC=Cc1ccc(c(c1)Cl)Cl 271570a_100016286323_100011214914 [0,2,0,0,0,0|1,0,1]=4 14095 B13R1.669 COCC=Cc1ccc(c(c1)F)Cl 271570a_100016286323_100011216805 [0,2,0,0,0,0|1,0,1]=4 14096 B13R1.669 COCC=Cc1ccc(c(c1)N)Cl 271570a_100016286323_200000761891 [0,2,0,0,0,0|1,0,1]=4 14097 B13R1.669 COCC=Cc1ccc(c(c1)O)Cl 271570a_100016286323_100011356854 [0,2,0,0,0,0|1,0,1]=4 14098 B13R1.669 COCCNc1ccc(c(c1)Br)Br 2230a_100011306057_100011201679 [0,2,0,0,0,0|1,1,0]=4 14099 B13R1.669 COCCNc1ccc(c(c1)Br)Br 34a_100011306057_100011201679 [0,2,0,0,0,0|1,1,0]=4 14100 B13R1.669 COCCNc1ccc(c(c1)Br)Br 7a_100011306057_100000233755 [0,2,0,0,0,0|1,1,0]=4 14101 B13R1.669 COCCNc1ccc(c(c1)Br)C 2230a_100000736455_100011201679 [0,2,0,0,0,0|2,0,0]=4 14102 B13R1.669 COCCNc1ccc(c(c1)Br)C 34a_100000736455_100011201679 [0,2,0,0,0,0|2,0,0]=4 14103 B13R1.669 COCCNc1ccc(c(c1)Br)C 7a_100000736455_100000233755 [0,2,0,0,0,0|2,0,0]=4 14104 B13R1.669 COCCNc1ccc(c(c1)Br)Cl 2230a_100000686031_100011201679 [0,2,0,0,0,0|1,0,0]=3 14105 B13R1.669 COCCNc1ccc(c(c1)Br)Cl 34a_100000686031_100011201679 [0,2,0,0,0,0|1,0,0]=3 14106 B13R1.669 COCCNc1ccc(c(c1)Br)F 2230a_100000760356_100011201679 [0,2,0,0,0,0|1,1,0]=4 14107 B13R1.669 COCCNc1ccc(c(c1)Br)F 34a_100000760356_100011201679 [0,2,0,0,0,0|1,1,0]=4 14108 B13R1.669 COCCNc1ccc(c(c1)Br)F 7a_100000760356_100000233755 [0,2,0,0,0,0|1,1,0]=4 14109 B13R1.669 COCCNc1ccc(c(c1)Br)I 34a_100000750458_100011201679 [0,2,0,0,0,0|1,1,0]=4 14110 B13R1.669 COCCNc1ccc(c(c1)Br)O 34a_100011534360_100011201679 [0,2,0,0,0,0|2,0,0]=4 14111 B13R1.669 COCCNc1ccc(c(c1)C)Br 2230a_100000210723_100011201679 [0,2,0,0,0,0|1,1,0]=4 14112 B13R1.669 COCCNc1ccc(c(c1)C)Br 34a_100000210723_100011201679 [0,2,0,0,0,0|1,1,0]=4 14113 B13R1.669 COCCNc1ccc(c(c1)C)Br 7a_100000210723_100000233755 [0,2,0,0,0,0|1,1,0]=4 14114 B13R1.669 COCCNc1ccc(c(c1)C)C 2230a_100000724040_100011201679 [0,2,0,0,0,0|2,0,0]=4 14115 B13R1.669 COCCNc1ccc(c(c1)C)C 34a_100000724040_100011201679 [0,2,0,0,0,0|2,0,0]=4 14116 B13R1.669 COCCNc1ccc(c(c1)C)C 7a_100000724040_100000233755 [0,2,0,0,0,0|2,0,0]=4 14117 B13R1.669 COCCNc1ccc(c(c1)C)Cl 2230a_100000187808_100011201679 [0,2,0,0,0,0|1,0,0]=3 14118 B13R1.669 COCCNc1ccc(c(c1)C)Cl 34a_100000187808_100011201679 [0,2,0,0,0,0|1,0,0]=3 14119 B13R1.669 COCCNc1ccc(c(c1)C)Cl 7a_100000187808_100000233755 [0,2,0,0,0,0|1,0,0]=3 14120 B13R1.669 COCCNc1ccc(c(c1)C)F 2230a_100000750164_100011201679 [0,2,0,0,0,0|1,1,0]=4 14121 B13R1.669 COCCNc1ccc(c(c1)C)F 34a_100000750164_100011201679 [0,2,0,0,0,0|1,1,0]=4 14122 B13R1.669 COCCNc1ccc(c(c1)C)F 7a_100000750164_100000233755 [0,2,0,0,0,0|1,1,0]=4 14123 B13R1.669 COCCNc1ccc(c(c1)C)I 34a_100000198070_100011201679 [0,2,0,0,0,0|1,1,0]=4 14124 B13R1.669 COCCNc1ccc(c(c1)C)I 7a_100000198070_100000233755 [0,2,0,0,0,0|1,1,0]=4 14125 B13R1.669 COCCNc1ccc(c(c1)C)O 34a_100011218179_100011201679 [0,2,0,0,0,0|2,0,0]=4 14126 B13R1.669 COCCNc1ccc(c(c1)C)O 7a_100011218179_100000233755 [0,2,0,0,0,0|2,0,0]=4 14127 B13R1.669 COCCNc1ccc(c(c1)Cl)Br 2230a_100000687081_100011201679 [0,2,0,0,0,0|1,1,0]=4 14128 B13R1.669 COCCNc1ccc(c(c1)Cl)Br 34a_100000687081_100011201679 [0,2,0,0,0,0|1,1,0]=4 14129 B13R1.669 COCCNc1ccc(c(c1)Cl)Br 7a_100000687081_100000233755 [0,2,0,0,0,0|1,1,0]=4 14130 B13R1.669 COCCNc1ccc(c(c1)Cl)C 2230a_100000188892_100011201679 [0,2,0,0,0,0|2,0,0]=4 14131 B13R1.669 COCCNc1ccc(c(c1)Cl)C 34a_100000188892_100011201679 [0,2,0,0,0,0|2,0,0]=4 14132 B13R1.669 COCCNc1ccc(c(c1)Cl)C 7a_100000188892_100000233755 [0,2,0,0,0,0|2,0,0]=4 14133 B13R1.669 COCCNc1ccc(c(c1)Cl)Cl 2230a_100000184108_100011201679 [0,2,0,0,0,0|1,0,0]=3 14134 B13R1.669 COCCNc1ccc(c(c1)Cl)Cl 34a_100000184108_100011201679 [0,2,0,0,0,0|1,0,0]=3 14135 B13R1.669 COCCNc1ccc(c(c1)Cl)F 2230a_100000211060_100011201679 [0,2,0,0,0,0|1,1,0]=4 14136 B13R1.669 COCCNc1ccc(c(c1)Cl)F 34a_100000211060_100011201679 [0,2,0,0,0,0|1,1,0]=4 14137 B13R1.669 COCCNc1ccc(c(c1)Cl)F 7a_100000211060_100000233755 [0,2,0,0,0,0|1,1,0]=4 14138 B13R1.669 COCCNc1ccc(c(c1)Cl)I 34a_100000761885_100011201679 [0,2,0,0,0,0|1,1,0]=4 14139 B13R1.669 COCCNc1ccc(c(c1)Cl)O 34a_100000744943_100011201679 [0,2,0,0,0,0|2,0,0]=4 14140 B13R1.669 COCCNc1ccc(c(c1)F)Br 2230a_100000759894_100011201679 [0,2,0,0,0,0|1,1,0]=4 14141 B13R1.669 COCCNc1ccc(c(c1)F)Br 34a_100000759894_100011201679 [0,2,0,0,0,0|1,1,0]=4 14142 B13R1.669 COCCNc1ccc(c(c1)F)Br 7a_100000759894_100000233755 [0,2,0,0,0,0|1,1,0]=4 14143 B13R1.669 COCCNc1ccc(c(c1)F)C 2230a_100000210958_100011201679 [0,2,0,0,0,0|2,0,0]=4 14144 B13R1.669 COCCNc1ccc(c(c1)F)C 34a_100000210958_100011201679 [0,2,0,0,0,0|2,0,0]=4 14145 B13R1.669 COCCNc1ccc(c(c1)F)C 7a_100000210958_100000233755 [0,2,0,0,0,0|2,0,0]=4 14146 B13R1.669 COCCNc1ccc(c(c1)F)Cl 2230a_100000739366_100011201679 [0,2,0,0,0,0|1,0,0]=3 14147 B13R1.669 COCCNc1ccc(c(c1)F)Cl 34a_100000739366_100011201679 [0,2,0,0,0,0|1,0,0]=3 14148 B13R1.669 COCCNc1ccc(c(c1)F)Cl 7a_100000739366_100000233755 [0,2,0,0,0,0|1,0,0]=3 14149 B13R1.669 COCCNc1ccc(c(c1)F)F 2230a_100000210724_100011201679 [0,2,0,0,0,0|1,1,0]=4 14150 B13R1.669 COCCNc1ccc(c(c1)F)F 34a_100000210724_100011201679 [0,2,0,0,0,0|1,1,0]=4 14151 B13R1.669 COCCNc1ccc(c(c1)F)F 7a_100000210724_100000233755 [0,2,0,0,0,0|1,1,0]=4 14152 B13R1.669 COCCNc1ccc(c(c1)F)I 34a_100011356925_100011201679 [0,2,0,0,0,0|1,1,0]=4 14153 B13R1.669 COCCNc1ccc(c(c1)F)I 7a_100011356925_100000233755 [0,2,0,0,0,0|1,1,0]=4 14154 B13R1.669 COCCNc1ccc(c(c1)F)O 34a_100011220035_100011201679 [0,2,0,0,0,0|2,0,0]=4 14155 B13R1.669 COCCNc1ccc(c(c1)F)O 7a_100011220035_100000233755 [0,2,0,0,0,0|2,0,0]=4 14156 B13R1.669 COCCNc1ccc(c(c1)I)Br 34a_100000750459_100011201679 [0,2,0,0,0,0|1,1,0]=4 14157 B13R1.669 COCCNc1ccc(c(c1)I)C 34a_100000184131_100011201679 [0,2,0,0,0,0|2,0,0]=4 14158 B13R1.669 COCCNc1ccc(c(c1)I)C 7a_100000184131_100000233755 [0,2,0,0,0,0|2,0,0]=4 14159 B13R1.669 COCCNc1ccc(c(c1)I)Cl 34a_100012360549_100011201679 [0,2,0,0,0,0|1,0,0]=3 14160 B13R1.669 COCCNc1ccc(c(c1)I)F 34a_114828291077_100011201679 [0,2,0,0,0,0|1,1,0]=4 14161 B13R1.669 COCCNc1ccc(c(c1)I)F 7a_114828291077_100000233755 [0,2,0,0,0,0|1,1,0]=4 14162 B13R1.669 COCCNc1ccc(c(c1)O)C 34a_100000759471_100011201679 [0,2,0,0,0,0|2,0,0]=4 14163 B13R1.669 COCCNc1ccc(c(c1)O)C 7a_100000759471_100000233755 [0,2,0,0,0,0|2,0,0]=4 14164 B13R1.669 COCCNc1ccc(c(c1)O)Cl 34a_100011934209_100011201679 [0,2,0,0,0,0|1,0,0]=3 14165 B13R1.669 COCCNc1ccc(c(c1)O)F 34a_100012017398_100011201679 [0,2,0,0,0,0|1,1,0]=4 14166 B13R1.669 COCCNc1ccc(c(c1)O)F 7a_100012017398_100000233755 [0,2,0,0,0,0|1,1,0]=4 14167 B13R1.669 COCCNc1ccc(c(c1)O)O 34a_100102946323_100011201679 [0,2,0,0,0,0|2,0,0]=4 14168 B13R1.669 COCCOc1cc(c(cn1)Br)C 34a_100000766222_100011201679 [0,2,0,0,0,0|1,1,0]=4 14169 B13R1.669 COCCOc1cc(c(cn1)Br)Cl 34a_100010369989_100011201679 [0,2,0,0,0,0|1,1,0]=4 14170 B13R1.669 COCCOc1cc(c(cn1)C)Br 34a_100009831917_100011201679 [0,2,0,0,0,0|2,0,0]=4 14171 B13R1.669 COCCOc1cc(c(cn1)Cl)C 34a_200000085746_100011201679 [0,2,0,0,0,0|1,0,0]=3 14172 B13R1.669 COCCOc1cc(c(cn1)Cl)Cl 34a_200000099200_100011201679 [0,2,0,0,0,0|1,0,0]=3 14173 B13R1.669 COCCOc1ccc(c(c1)Br)C 34a_100011380479_100011201679 [0,2,0,0,0,0|1,0,0]=3 14174 B13R1.669 COCCOc1ccc(c(c1)Br)C 7a_100011380479_100000233755 [0,2,0,0,0,0|1,0,0]=3 14175 B13R1.669 COCCOc1ccc(c(c1)Br)Cl 34a_100011933957_100011201679 [0,2,0,0,0,0|0,0,0]=2 14176 B13R1.669 COCCOc1ccc(c(c1)Br)Cl 7a_100011933957_100000233755 [0,2,0,0,0,0|0,0,0]=2 14177 B13R1.669 COCCOc1ccc(c(c1)Br)F 34a_100000693481_100011201679 [0,2,0,0,0,0|0,1,0]=3 14178 B13R1.669 COCCOc1ccc(c(c1)Br)F 7a_100000693481_100000233755 [0,2,0,0,0,0|0,1,0]=3 14179 B13R1.669 COCCOc1ccc(c(c1)Br)I 34a_100000701344_100011201679 [0,2,0,0,0,0|0,1,0]=3 14180 B13R1.669 COCCOc1ccc(c(c1)Br)I 7a_100000701344_100000233755 [0,2,0,0,0,0|0,1,0]=3 14181 B13R1.669 COCCOc1ccc(c(c1)Br)N 34a_100012001276_100011201679 [0,2,0,0,0,0|1,0,0]=3 14182 B13R1.669 COCCOc1ccc(c(c1)Br)N 7a_100012001276_100000233755 [0,2,0,0,0,0|1,0,0]=3 14183 B13R1.669 COCCOc1ccc(c(c1)C)Br 34a_100000690111_100011201679 [0,2,0,0,0,0|0,1,0]=3 14184 B13R1.669 COCCOc1ccc(c(c1)C)Br 7a_100000690111_100000233755 [0,2,0,0,0,0|0,1,0]=3 14185 B13R1.669 COCCOc1ccc(c(c1)C)C 34a_100000210932_100011201679 [0,2,0,0,0,0|1,0,0]=3 14186 B13R1.669 COCCOc1ccc(c(c1)C)C 34a_100138415774_200011210794 [0,2,0,0,0,0|1,0,0]=3 14187 B13R1.669 COCCOc1ccc(c(c1)C)C 7a_100000210932_100000233755 [0,2,0,0,0,0|1,0,0]=3 14188 B13R1.669 COCCOc1ccc(c(c1)C)Cl 34a_100000211092_100011201679 [0,2,0,0,0,0|0,0,0]=2 14189 B13R1.669 COCCOc1ccc(c(c1)C)Cl 7a_100000211092_100000233755 [0,2,0,0,0,0|0,0,0]=2 14190 B13R1.669 COCCOc1ccc(c(c1)C)F 34a_100000751312_100011201679 [0,2,0,0,0,0|0,1,0]=3 14191 B13R1.669 COCCOc1ccc(c(c1)C)F 7a_100000751312_100000233755 [0,2,0,0,0,0|0,1,0]=3 14192 B13R1.669 COCCOc1ccc(c(c1)C)I 34a_100000729255_100011201679 [0,2,0,0,0,0|0,1,0]=3 14193 B13R1.669 COCCOc1ccc(c(c1)C)I 7a_100000729255_100000233755 [0,2,0,0,0,0|0,1,0]=3 14194 B13R1.669 COCCOc1ccc(c(c1)C)N 34a_100000756630_100011201679 [0,2,0,0,0,0|1,0,0]=3 14195 B13R1.669 COCCOc1ccc(c(c1)C)N 7a_100000756630_100000233755 [0,2,0,0,0,0|1,0,0]=3 14196 B13R1.669 COCCOc1ccc(c(c1)Cl)Br 34a_100011215161_100011201679 [0,2,0,0,0,0|0,1,0]=3 14197 B13R1.669 COCCOc1ccc(c(c1)Cl)Br 7a_100011215161_100000233755 [0,2,0,0,0,0|0,1,0]=3 14198 B13R1.669 COCCOc1ccc(c(c1)Cl)C 34a_100011265682_100011201679 [0,2,0,0,0,0|1,0,0]=3 14199 B13R1.669 COCCOc1ccc(c(c1)Cl)C 7a_100011265682_100000233755 [0,2,0,0,0,0|1,0,0]=3 14200 B13R1.669 COCCOc1ccc(c(c1)Cl)Cl 34a_100000211054_100011201679 [0,2,0,0,0,0|0,0,0]=2 14201 B13R1.669 COCCOc1ccc(c(c1)Cl)Cl 7a_100000211054_100000233755 [0,2,0,0,0,0|0,0,0]=2 14202 B13R1.669 COCCOc1ccc(c(c1)Cl)F 34a_100000211030_100011201679 [0,2,0,0,0,0|0,1,0]=3 14203 B13R1.669 COCCOc1ccc(c(c1)Cl)F 34a_100138415774_100011936913 [0,2,0,0,0,0|0,1,0]=3 14204 B13R1.669 COCCOc1ccc(c(c1)Cl)F 7a_100000211030_100000233755 [0,2,0,0,0,0|0,1,0]=3 14205 B13R1.669 COCCOc1ccc(c(c1)Cl)I 34a_100000047559_100011201679 [0,2,0,0,0,0|0,1,0]=3 14206 B13R1.669 COCCOc1ccc(c(c1)Cl)I 7a_100000047559_100000233755 [0,2,0,0,0,0|0,1,0]=3 14207 B13R1.669 COCCOc1ccc(c(c1)Cl)N 34a_100011215599_100011201679 [0,2,0,0,0,0|1,0,0]=3 14208 B13R1.669 COCCOc1ccc(c(c1)Cl)N 7a_100011215599_100000233755 [0,2,0,0,0,0|1,0,0]=3 14209 B13R1.669 COCCOc1ccc(c(c1)F)Br 34a_100000755031_100011201679 [0,2,0,0,0,0|0,1,0]=3 14210 B13R1.669 COCCOc1ccc(c(c1)F)Br 7a_100000755031_100000233755 [0,2,0,0,0,0|0,1,0]=3 14211 B13R1.669 COCCOc1ccc(c(c1)F)C 34a_100000722560_100011201679 [0,2,0,0,0,0|1,0,0]=3 14212 B13R1.669 COCCOc1ccc(c(c1)F)C 7a_100000722560_100000233755 [0,2,0,0,0,0|1,0,0]=3 14213 B13R1.669 COCCOc1ccc(c(c1)F)Cl 34a_100000691581_100011201679 [0,2,0,0,0,0|0,0,0]=2 14214 B13R1.669 COCCOc1ccc(c(c1)F)Cl 7a_100000691581_100000233755 [0,2,0,0,0,0|0,0,0]=2 14215 B13R1.669 COCCOc1ccc(c(c1)F)F 34a_100000181275_100011201679 [0,2,0,0,0,0|0,1,0]=3 14216 B13R1.669 COCCOc1ccc(c(c1)F)F 7a_100000181275_100000233755 [0,2,0,0,0,0|0,1,0]=3 14217 B13R1.669 COCCOc1ccc(c(c1)F)I 34a_100009990212_100011201679 [0,2,0,0,0,0|0,1,0]=3 14218 B13R1.669 COCCOc1ccc(c(c1)F)I 7a_100009990212_100000233755 [0,2,0,0,0,0|0,1,0]=3 14219 B13R1.669 COCCOc1ccc(c(c1)F)N 34a_100000759473_100011201679 [0,2,0,0,0,0|1,0,0]=3 14220 B13R1.669 COCCOc1ccc(c(c1)F)N 7a_100000759473_100000233755 [0,2,0,0,0,0|1,0,0]=3 14221 B13R1.669 COCCOc1ccc(c(c1)I)Br 34a_100012339312_100011201679 [0,2,0,0,0,0|0,1,0]=3 14222 B13R1.669 COCCOc1ccc(c(c1)I)Br 7a_100012339312_100000233755 [0,2,0,0,0,0|0,1,0]=3 14223 B13R1.669 COCCOc1ccc(c(c1)I)Cl 34a_100000049588_100011201679 [0,2,0,0,0,0|0,0,0]=2 14224 B13R1.669 COCCOc1ccc(c(c1)I)Cl 7a_100000049588_100000233755 [0,2,0,0,0,0|0,0,0]=2 14225 B13R1.669 COCCOc1ccc(c(c1)I)N 34a_100010084370_100011201679 [0,2,0,0,0,0|1,0,0]=3 14226 B13R1.669 COCCOc1ccc(c(c1)I)N 7a_100010084370_100000233755 [0,2,0,0,0,0|1,0,0]=3 14227 B13R1.669 COCCOc1ccc(c(c1)N)Br 34a_100011999798_100011201679 [0,2,0,0,0,0|0,1,0]=3 14228 B13R1.669 COCCOc1ccc(c(c1)N)Br 7a_100011999798_100000233755 [0,2,0,0,0,0|0,1,0]=3 14229 B13R1.669 COCCOc1ccc(c(c1)N)C 34a_100011216113_100011201679 [0,2,0,0,0,0|1,0,0]=3 14230 B13R1.669 COCCOc1ccc(c(c1)N)C 34a_100012283766_200000210301 [0,2,0,0,0,0|1,0,0]=3 14231 B13R1.669 COCCOc1ccc(c(c1)N)C 7a_100011216113_100000233755 [0,2,0,0,0,0|1,0,0]=3 14232 B13R1.669 COCCOc1ccc(c(c1)N)C 7a_100012283766_200000210301 [0,2,0,0,0,0|1,0,0]=3 14233 B13R1.669 COCCOc1ccc(c(c1)N)Cl 34a_100011934297_100011201679 [0,2,0,0,0,0|0,0,0]=2 14234 B13R1.669 COCCOc1ccc(c(c1)N)F 34a_100012017239_100011201679 [0,2,0,0,0,0|0,1,0]=3 14235 B13R1.669 COCCOc1ccc(c(c1)N)F 7a_100012017239_100000233755 [0,2,0,0,0,0|0,1,0]=3 14236 B13R1.669 COCCOc1ccc(c(c1)N)N 34a_100025771000_100011201679 [0,2,0,0,0,0|1,0,0]=3 14237 B13R1.669 COCCOc1ccc(c(n1)C)Br 34a_100000691680_100011201679 [0,2,0,0,0,0|1,1,0]=4 14238 B13R1.669 COCCOc1ccc(c(n1)C)Cl 34a_200009863735_100011201679 [0,2,0,0,0,0|1,0,0]=3 14239 B13R1.669 COCCOc1ccc(c(n1)F)Br 34a_100009879308_100011201679 [0,2,0,0,0,0|1,1,0]=4 14240 B13R1.669 COCCOc1cnc(c(c1)Br)C 34a_100009819603_100011201679 [0,2,0,0,0,0|2,0,0]=4 14241 B13R1.669 COCCOc1cnc(c(c1)Br)C 7a_100009819603_100000233755 [0,2,0,0,0,0|2,0,0]=4 14242 B13R1.669 COCCOc1cnc(c(c1)Br)Cl 34a_100012356455_100011201679 [0,2,0,0,0,0|1,0,0]=3 14243 B13R1.669 COCCOc1cnc(c(c1)Br)Cl 7a_100012356455_100000233755 [0,2,0,0,0,0|1,0,0]=3 14244 B13R1.669 COCCOc1cnc(c(c1)Br)F 34a_100009817267_100011201679 [0,2,0,0,0,0|1,1,0]=4 14245 B13R1.669 COCCOc1cnc(c(c1)Br)F 7a_100009817267_100000233755 [0,2,0,0,0,0|1,1,0]=4 14246 B13R1.669 COCCOc1cnc(c(c1)C)Br 34a_100012000486_100011201679 [0,2,0,0,0,0|1,1,0]=4 14247 B13R1.669 COCCOc1cnc(c(c1)C)Br 7a_100012000486_100000233755 [0,2,0,0,0,0|1,1,0]=4 14248 B13R1.669 COCCOc1cnc(c(c1)C)C 34a_100009854398_100011201679 [0,2,0,0,0,0|2,0,0]=4 14249 B13R1.669 COCCOc1cnc(c(c1)C)C 7a_100009854398_100000233755 [0,2,0,0,0,0|2,0,0]=4 14250 B13R1.669 COCCOc1cnc(c(c1)C)Cl 34a_100012002680_100011201679 [0,2,0,0,0,0|1,0,0]=3 14251 B13R1.669 COCCOc1cnc(c(c1)C)Cl 7a_100012002680_100000233755 [0,2,0,0,0,0|1,0,0]=3 14252 B13R1.669 COCCOc1cnc(c(c1)C)F 34a_100000094615_100011201679 [0,2,0,0,0,0|1,1,0]=4 14253 B13R1.669 COCCOc1cnc(c(c1)C)F 7a_100000094615_100000233755 [0,2,0,0,0,0|1,1,0]=4 14254 B13R1.669 COCCOc1cnc(c(c1)Cl)Br 34a_100010209684_100011201679 [0,2,0,0,0,0|1,1,0]=4 14255 B13R1.669 COCCOc1cnc(c(c1)Cl)Br 7a_100010209684_100000233755 [0,2,0,0,0,0|1,1,0]=4 14256 B13R1.669 COCCOc1cnc(c(c1)Cl)Cl 34a_100000094354_100011201679 [0,2,0,0,0,0|1,0,0]=3 14257 B13R1.669 COCCOc1cnc(c(c1)Cl)Cl 7a_100000094354_100000233755 [0,2,0,0,0,0|1,0,0]=3 14258 B13R1.669 COCCOc1cnc(c(c1)Cl)F 34a_100000087088_100011201679 [0,2,0,0,0,0|1,1,0]=4 14259 B13R1.669 COCCOc1cnc(c(c1)Cl)F 7a_100000087088_100000233755 [0,2,0,0,0,0|1,1,0]=4 14260 B13R1.669 COCCOc1cnc(c(c1)F)Cl 34a_100000063512_100011201679 [0,2,0,0,0,0|1,0,0]=3 14261 B13R1.669 COCCOc1cnc(c(c1)F)Cl 7a_100000063512_100000233755 [0,2,0,0,0,0|1,0,0]=3 14262 B13R1.669 COCCSc1ccc(c(c1)Br)Br 62a_100000233755_100012356285 [0,2,0,0,0,0|0,2,0]=4 14263 B13R1.669 COCCSc1ccc(c(c1)Br)Br 62a_100012356285_100000233755 [0,2,0,0,0,0|0,2,0]=4 14264 B13R1.669 COCCSc1ccc(c(c1)Br)C 34a_100010989109_200000210301 [0,2,0,0,0,0|1,1,0]=4 14265 B13R1.669 COCCSc1ccc(c(c1)Br)C 62a_100000233755_100011847877 [0,2,0,0,0,0|1,1,0]=4 14266 B13R1.669 COCCSc1ccc(c(c1)Br)C 62a_100011847877_100000233755 [0,2,0,0,0,0|1,1,0]=4 14267 B13R1.669 COCCSc1ccc(c(c1)Br)C 7a_100010989109_200000210301 [0,2,0,0,0,0|1,1,0]=4 14268 B13R1.669 COCCSc1ccc(c(c1)Br)Cl 62a_100000233755_100012353702 [0,2,0,0,0,0|0,1,0]=3 14269 B13R1.669 COCCSc1ccc(c(c1)Br)Cl 62a_100012353702_100000233755 [0,2,0,0,0,0|0,1,0]=3 14270 B13R1.669 COCCSc1ccc(c(c1)Br)F 62a_100000233755_100012047266 [0,2,0,0,0,0|0,2,0]=4 14271 B13R1.669 COCCSc1ccc(c(c1)Br)F 62a_100012047266_100000233755 [0,2,0,0,0,0|0,2,0]=4 14272 B13R1.669 COCCSc1ccc(c(c1)Br)N 62a_100000233755_100000750455 [0,2,0,0,0,0|1,1,0]=4 14273 B13R1.669 COCCSc1ccc(c(c1)Br)N 62a_100000750455_100000233755 [0,2,0,0,0,0|1,1,0]=4 14274 B13R1.669 COCCSc1ccc(c(c1)Br)O 62a_100000233755_100012361655 [0,2,0,0,0,0|1,1,0]=4 14275 B13R1.669 COCCSc1ccc(c(c1)Br)O 62a_100012361655_100000233755 [0,2,0,0,0,0|1,1,0]=4 14276 B13R1.669 COCCSc1ccc(c(c1)C)Br 62a_100000233755_100009813585 [0,2,0,0,0,0|0,2,0]=4 14277 B13R1.669 COCCSc1ccc(c(c1)C)Br 62a_100009813585_100000233755 [0,2,0,0,0,0|0,2,0]=4 14278 B13R1.669 COCCSc1ccc(c(c1)C)C 62a_100000233755_100011215607 [0,2,0,0,0,0|1,1,0]=4 14279 B13R1.669 COCCSc1ccc(c(c1)C)C 62a_100011215607_100000233755 [0,2,0,0,0,0|1,1,0]=4 14280 B13R1.669 COCCSc1ccc(c(c1)C)Cl 62a_100000049509_100000233755 [0,2,0,0,0,0|0,1,0]=3 14281 B13R1.669 COCCSc1ccc(c(c1)C)Cl 62a_100000233755_100000049509 [0,2,0,0,0,0|0,1,0]=3 14282 B13R1.669 COCCSc1ccc(c(c1)C)F 62a_100000233755_100011218330 [0,2,0,0,0,0|0,2,0]=4 14283 B13R1.669 COCCSc1ccc(c(c1)C)F 62a_100011218330_100000233755 [0,2,0,0,0,0|0,2,0]=4 14284 B13R1.669 COCCSc1ccc(c(c1)C)N 62a_100000211769_100000233755 [0,2,0,0,0,0|1,1,0]=4 14285 B13R1.669 COCCSc1ccc(c(c1)C)N 62a_100000233755_100000211769 [0,2,0,0,0,0|1,1,0]=4 14286 B13R1.669 COCCSc1ccc(c(c1)C)O 62a_100000233755_100000186361 [0,2,0,0,0,0|1,1,0]=4 14287 B13R1.669 COCCSc1ccc(c(c1)Cl)Br 62a_100000233755_100012047281 [0,2,0,0,0,0|0,2,0]=4 14288 B13R1.669 COCCSc1ccc(c(c1)Cl)Br 62a_100012047281_100000233755 [0,2,0,0,0,0|0,2,0]=4 14289 B13R1.669 COCCSc1ccc(c(c1)Cl)C 62a_100000233755_100011216363 [0,2,0,0,0,0|1,1,0]=4 14290 B13R1.669 COCCSc1ccc(c(c1)Cl)C 62a_100011216363_100000233755 [0,2,0,0,0,0|1,1,0]=4 14291 B13R1.669 COCCSc1ccc(c(c1)Cl)Cl 34a_200012295044_200000210301 [0,2,0,0,0,0|0,1,0]=3 14292 B13R1.669 COCCSc1ccc(c(c1)Cl)Cl 62a_100000233755_100011214914 [0,2,0,0,0,0|0,1,0]=3 14293 B13R1.669 COCCSc1ccc(c(c1)Cl)Cl 62a_100011214914_100000233755 [0,2,0,0,0,0|0,1,0]=3 14294 B13R1.669 COCCSc1ccc(c(c1)Cl)Cl 7a_200012295044_200000210301 [0,2,0,0,0,0|0,1,0]=3 14295 B13R1.669 COCCSc1ccc(c(c1)Cl)F 62a_100000233755_100011215976 [0,2,0,0,0,0|0,2,0]=4 14296 B13R1.669 COCCSc1ccc(c(c1)Cl)F 62a_100011215976_100000233755 [0,2,0,0,0,0|0,2,0]=4 14297 B13R1.669 COCCSc1ccc(c(c1)Cl)N 62a_100000233755_100011218065 [0,2,0,0,0,0|1,1,0]=4 14298 B13R1.669 COCCSc1ccc(c(c1)Cl)N 62a_100011218065_100000233755 [0,2,0,0,0,0|1,1,0]=4 14299 B13R1.669 COCCSc1ccc(c(c1)Cl)O 62a_100000233755_100012360047 [0,2,0,0,0,0|1,1,0]=4 14300 B13R1.669 COCCSc1ccc(c(c1)Cl)O 62a_100012360047_100000233755 [0,2,0,0,0,0|1,1,0]=4 14301 B13R1.669 COCCSc1ccc(c(c1)F)Br 62a_100000233755_100000685389 [0,2,0,0,0,0|0,2,0]=4 14302 B13R1.669 COCCSc1ccc(c(c1)F)Br 62a_100000685389_100000233755 [0,2,0,0,0,0|0,2,0]=4 14303 B13R1.669 COCCSc1ccc(c(c1)F)C 62a_100000233755_100000720648 [0,2,0,0,0,0|1,1,0]=4 14304 B13R1.669 COCCSc1ccc(c(c1)F)C 62a_100000720648_100000233755 [0,2,0,0,0,0|1,1,0]=4 14305 B13R1.669 COCCSc1ccc(c(c1)F)Cl 62a_100000233755_100011216805 [0,2,0,0,0,0|0,1,0]=3 14306 B13R1.669 COCCSc1ccc(c(c1)F)Cl 62a_100011216805_100000233755 [0,2,0,0,0,0|0,1,0]=3 14307 B13R1.669 COCCSc1ccc(c(c1)F)F 62a_100000233755_100000703953 [0,2,0,0,0,0|0,2,0]=4 14308 B13R1.669 COCCSc1ccc(c(c1)F)F 62a_100000703953_100000233755 [0,2,0,0,0,0|0,2,0]=4 14309 B13R1.669 COCCSc1ccc(c(c1)F)N 62a_100000233755_100011215594 [0,2,0,0,0,0|1,1,0]=4 14310 B13R1.669 COCCSc1ccc(c(c1)F)N 62a_100011215594_100000233755 [0,2,0,0,0,0|1,1,0]=4 14311 B13R1.669 COCCSc1ccc(c(c1)F)O 62a_100000185481_100000233755 [0,2,0,0,0,0|1,1,0]=4 14312 B13R1.669 COCCSc1ccc(c(c1)F)O 62a_100000233755_100000185481 [0,2,0,0,0,0|1,1,0]=4 14313 B13R1.669 COCCSc1ccc(c(c1)N)Br 62a_100000233755_100000750456 [0,2,0,0,0,0|0,2,0]=4 14314 B13R1.669 COCCSc1ccc(c(c1)N)Br 62a_100000750456_100000233755 [0,2,0,0,0,0|0,2,0]=4 14315 B13R1.669 COCCSc1ccc(c(c1)N)C 62a_100000233755_100000761890 [0,2,0,0,0,0|1,1,0]=4 14316 B13R1.669 COCCSc1ccc(c(c1)N)C 62a_100000761890_100000233755 [0,2,0,0,0,0|1,1,0]=4 14317 B13R1.669 COCCSc1ccc(c(c1)N)Cl 62a_100000233755_200000761891 [0,2,0,0,0,0|0,1,0]=3 14318 B13R1.669 COCCSc1ccc(c(c1)N)Cl 62a_200000761891_100000233755 [0,2,0,0,0,0|0,1,0]=3 14319 B13R1.669 COCCSc1ccc(c(c1)N)F 62a_100000233755_100000740924 [0,2,0,0,0,0|0,2,0]=4 14320 B13R1.669 COCCSc1ccc(c(c1)N)F 62a_100000740924_100000233755 [0,2,0,0,0,0|0,2,0]=4 14321 B13R1.669 COCCSc1ccc(c(c1)N)N 62a_100000233755_100011534411 [0,2,0,0,0,0|1,1,0]=4 14322 B13R1.669 COCCSc1ccc(c(c1)N)N 62a_100000741789_100000233755 [0,2,0,0,0,0|1,1,0]=4 14323 B13R1.669 COCCSc1ccc(c(c1)N)O 62a_100000233755_100000752626 [0,2,0,0,0,0|1,1,0]=4 14324 B13R1.669 COCCSc1ccc(c(c1)N)O 62a_100000752626_100000233755 [0,2,0,0,0,0|1,1,0]=4 14325 B13R1.669 COCCSc1ccc(c(c1)O)Br 62a_100000233755_100012356990 [0,2,0,0,0,0|0,2,0]=4 14326 B13R1.669 COCCSc1ccc(c(c1)O)Br 62a_100012356990_100000233755 [0,2,0,0,0,0|0,2,0]=4 14327 B13R1.669 COCCSc1ccc(c(c1)O)C 62a_100000233755_100000685420 [0,2,0,0,0,0|1,1,0]=4 14328 B13R1.669 COCCSc1ccc(c(c1)O)C 62a_100000685420_100000233755 [0,2,0,0,0,0|1,1,0]=4 14329 B13R1.669 COCCSc1ccc(c(c1)O)Cl 62a_100000233755_100011356854 [0,2,0,0,0,0|0,1,0]=3 14330 B13R1.669 COCCSc1ccc(c(c1)O)Cl 62a_100011356854_100000233755 [0,2,0,0,0,0|0,1,0]=3 14331 B13R1.669 COCCSc1ccc(c(c1)O)F 62a_100000233755_100000686035 [0,2,0,0,0,0|0,2,0]=4 14332 B13R1.669 COCCSc1ccc(c(c1)O)F 62a_100000686035_100000233755 [0,2,0,0,0,0|0,2,0]=4 14333 B13R1.669 COCCSc1ccc(c(c1)O)N 62a_100000233755_100000739049 [0,2,0,0,0,0|1,1,0]=4 14334 B13R1.669 COCCSc1ccc(c(c1)O)N 62a_100000739049_100000233755 [0,2,0,0,0,0|1,1,0]=4 14335 B13R1.669 COCCSc1ccc(c(c1)O)O 62a_100000233755_100009813601 [0,2,0,0,0,0|1,1,0]=4 14336 B13R1.669 COCCSc1cnc(c(c1)Br)Cl 62a_100000233755_100010172733 [0,2,0,0,0,0|1,1,0]=4 14337 B13R1.669 COCCSc1cnc(c(c1)Br)Cl 62a_100010172733_100000233755 [0,2,0,0,0,0|1,1,0]=4 14338 B13R1.669 COCCSc1cnc(c(c1)C)Cl 62a_100000233755_100009922867 [0,2,0,0,0,0|1,1,0]=4 14339 B13R1.669 COCCSc1cnc(c(c1)C)Cl 62a_100009922867_100000233755 [0,2,0,0,0,0|1,1,0]=4 14340 B13R1.669 COCCSc1cnc(c(c1)N)Cl 62a_100000233755_100009828400 [0,2,0,0,0,0|1,1,0]=4 14341 B13R1.669 COCCSc1cnc(c(c1)N)Cl 62a_100009828400_100000233755 [0,2,0,0,0,0|1,1,0]=4 14342 B13R1.669 COCNCc1ccc(c(c1)Br)Cl 2230a_100012349490_100000766300 [0,2,0,0,0,0|2,0,0]=4 14343 B13R1.669 COCNCc1ccc(c(c1)Cl)Cl 2230a_100000174881_100000766300 [0,2,0,0,0,0|2,0,0]=4 14344 B13R1.669 COCNCc1ccc(c(c1)F)Cl 2230a_100011219866_100000766300 [0,2,0,0,0,0|2,0,0]=4 14345 B13R1.669 COCSCc1ccc(c(c1)Br)Cl 62a_100000766300_100012353894 [0,2,0,0,0,0|2,0,0]=4 14346 B13R1.669 COCSCc1ccc(c(c1)Br)Cl 62a_100012353894_100000766300 [0,2,0,0,0,0|2,0,0]=4 14347 B13R1.669 COCSCc1ccc(c(c1)C)Cl 62a_100000766300_100012184735 [0,2,0,0,0,0|2,0,0]=4 14348 B13R1.669 COCSCc1ccc(c(c1)C)Cl 62a_100012184735_100000766300 [0,2,0,0,0,0|2,0,0]=4 14349 B13R1.669 COCSCc1ccc(c(c1)Cl)Cl 62a_100000184707_100000766300 [0,2,0,0,0,0|2,0,0]=4 14350 B13R1.669 COCSCc1ccc(c(c1)Cl)Cl 62a_100000766300_100000184707 [0,2,0,0,0,0|2,0,0]=4 14351 B13R1.669 COCSCc1ccc(c(c1)F)Cl 62a_100000716492_100000766300 [0,2,0,0,0,0|2,0,0]=4 14352 B13R1.669 COCSCc1ccc(c(c1)F)Cl 62a_100000766300_100000716492 [0,2,0,0,0,0|2,0,0]=4 14353 B13R1.669 CSCCNc1ccc(c(c1)Br)Cl 2230a_100000686031_100000751147 [0,2,0,0,0,0|1,1,0]=4 14354 B13R1.669 CSCCNc1ccc(c(c1)Br)Cl 34a_100000686031_100000212216 [0,2,0,0,0,0|1,1,0]=4 14355 B13R1.669 CSCCNc1ccc(c(c1)C)Cl 2230a_100000187808_100000751147 [0,2,0,0,0,0|1,1,0]=4 14356 B13R1.669 CSCCNc1ccc(c(c1)C)Cl 34a_100000187808_100000212216 [0,2,0,0,0,0|1,1,0]=4 14357 B13R1.669 CSCCNc1ccc(c(c1)C)Cl 7a_100000187808_100000212216 [0,2,0,0,0,0|1,1,0]=4 14358 B13R1.669 CSCCNc1ccc(c(c1)Cl)Cl 2230a_100000184108_100000751147 [0,2,0,0,0,0|1,1,0]=4 14359 B13R1.669 CSCCNc1ccc(c(c1)Cl)Cl 34a_100000184108_100000212216 [0,2,0,0,0,0|1,1,0]=4 14360 B13R1.669 CSCCNc1ccc(c(c1)F)Cl 2230a_100000739366_100000751147 [0,2,0,0,0,0|1,1,0]=4 14361 B13R1.669 CSCCNc1ccc(c(c1)F)Cl 34a_100000739366_100000212216 [0,2,0,0,0,0|1,1,0]=4 14362 B13R1.669 CSCCNc1ccc(c(c1)F)Cl 7a_100000739366_100000212216 [0,2,0,0,0,0|1,1,0]=4 14363 B13R1.669 CSCCNc1ccc(c(c1)I)Cl 34a_100012360549_100000212216 [0,2,0,0,0,0|1,1,0]=4 14364 B13R1.669 CSCCNc1ccc(c(c1)O)Cl 34a_100011934209_100000212216 [0,2,0,0,0,0|1,1,0]=4 14365 B13R1.669 CSCCOc1cc(c(cn1)Cl)C 34a_200000085746_100000212216 [0,2,0,0,0,0|1,1,0]=4 14366 B13R1.669 CSCCOc1cc(c(cn1)Cl)Cl 34a_200000099200_100000212216 [0,2,0,0,0,0|1,1,0]=4 14367 B13R1.669 CSCCOc1ccc(c(c1)Br)C 34a_100011380479_100000212216 [0,2,0,0,0,0|1,1,0]=4 14368 B13R1.669 CSCCOc1ccc(c(c1)Br)C 7a_100011380479_100000212216 [0,2,0,0,0,0|1,1,0]=4 14369 B13R1.669 CSCCOc1ccc(c(c1)Br)Cl 34a_100011933957_100000212216 [0,2,0,0,0,0|0,1,0]=3 14370 B13R1.669 CSCCOc1ccc(c(c1)Br)Cl 7a_100011933957_100000212216 [0,2,0,0,0,0|0,1,0]=3 14371 B13R1.669 CSCCOc1ccc(c(c1)Br)F 34a_100000693481_100000212216 [0,2,0,0,0,0|0,2,0]=4 14372 B13R1.669 CSCCOc1ccc(c(c1)Br)F 7a_100000693481_100000212216 [0,2,0,0,0,0|0,2,0]=4 14373 B13R1.669 CSCCOc1ccc(c(c1)Br)I 34a_100000701344_100000212216 [0,2,0,0,0,0|0,2,0]=4 14374 B13R1.669 CSCCOc1ccc(c(c1)Br)I 7a_100000701344_100000212216 [0,2,0,0,0,0|0,2,0]=4 14375 B13R1.669 CSCCOc1ccc(c(c1)Br)N 34a_100012001276_100000212216 [0,2,0,0,0,0|1,1,0]=4 14376 B13R1.669 CSCCOc1ccc(c(c1)Br)N 7a_100012001276_100000212216 [0,2,0,0,0,0|1,1,0]=4 14377 B13R1.669 CSCCOc1ccc(c(c1)C)Br 34a_100000690111_100000212216 [0,2,0,0,0,0|0,2,0]=4 14378 B13R1.669 CSCCOc1ccc(c(c1)C)Br 7a_100000690111_100000212216 [0,2,0,0,0,0|0,2,0]=4 14379 B13R1.669 CSCCOc1ccc(c(c1)C)C 34a_100000210932_100000212216 [0,2,0,0,0,0|1,1,0]=4 14380 B13R1.669 CSCCOc1ccc(c(c1)C)C 62a_200000210301_200011210794 [0,2,0,0,0,0|1,1,0]=4 14381 B13R1.669 CSCCOc1ccc(c(c1)C)C 62a_200011210794_200000210301 [0,2,0,0,0,0|1,1,0]=4 14382 B13R1.669 CSCCOc1ccc(c(c1)C)C 7a_100000210932_100000212216 [0,2,0,0,0,0|1,1,0]=4 14383 B13R1.669 CSCCOc1ccc(c(c1)C)Cl 34a_100000211092_100000212216 [0,2,0,0,0,0|0,1,0]=3 14384 B13R1.669 CSCCOc1ccc(c(c1)C)Cl 7a_100000211092_100000212216 [0,2,0,0,0,0|0,1,0]=3 14385 B13R1.669 CSCCOc1ccc(c(c1)C)F 34a_100000751312_100000212216 [0,2,0,0,0,0|0,2,0]=4 14386 B13R1.669 CSCCOc1ccc(c(c1)C)F 7a_100000751312_100000212216 [0,2,0,0,0,0|0,2,0]=4 14387 B13R1.669 CSCCOc1ccc(c(c1)C)I 34a_100000729255_100000212216 [0,2,0,0,0,0|0,2,0]=4 14388 B13R1.669 CSCCOc1ccc(c(c1)C)I 7a_100000729255_100000212216 [0,2,0,0,0,0|0,2,0]=4 14389 B13R1.669 CSCCOc1ccc(c(c1)C)N 34a_100000756630_100000212216 [0,2,0,0,0,0|1,1,0]=4 14390 B13R1.669 CSCCOc1ccc(c(c1)C)N 7a_100000756630_100000212216 [0,2,0,0,0,0|1,1,0]=4 14391 B13R1.669 CSCCOc1ccc(c(c1)Cl)Br 34a_100011215161_100000212216 [0,2,0,0,0,0|0,2,0]=4 14392 B13R1.669 CSCCOc1ccc(c(c1)Cl)Br 7a_100011215161_100000212216 [0,2,0,0,0,0|0,2,0]=4 14393 B13R1.669 CSCCOc1ccc(c(c1)Cl)C 34a_100011265682_100000212216 [0,2,0,0,0,0|1,1,0]=4 14394 B13R1.669 CSCCOc1ccc(c(c1)Cl)C 7a_100011265682_100000212216 [0,2,0,0,0,0|1,1,0]=4 14395 B13R1.669 CSCCOc1ccc(c(c1)Cl)Cl 34a_100000211054_100000212216 [0,2,0,0,0,0|0,1,0]=3 14396 B13R1.669 CSCCOc1ccc(c(c1)Cl)Cl 7a_100000211054_100000212216 [0,2,0,0,0,0|0,1,0]=3 14397 B13R1.669 CSCCOc1ccc(c(c1)Cl)F 34a_100000211030_100000212216 [0,2,0,0,0,0|0,2,0]=4 14398 B13R1.669 CSCCOc1ccc(c(c1)Cl)F 62a_100011936913_200000210301 [0,2,0,0,0,0|0,2,0]=4 14399 B13R1.669 CSCCOc1ccc(c(c1)Cl)F 62a_200000210301_100011936913 [0,2,0,0,0,0|0,2,0]=4 14400 B13R1.669 CSCCOc1ccc(c(c1)Cl)F 7a_100000211030_100000212216 [0,2,0,0,0,0|0,2,0]=4 14401 B13R1.669 CSCCOc1ccc(c(c1)Cl)I 34a_100000047559_100000212216 [0,2,0,0,0,0|0,2,0]=4 14402 B13R1.669 CSCCOc1ccc(c(c1)Cl)I 7a_100000047559_100000212216 [0,2,0,0,0,0|0,2,0]=4 14403 B13R1.669 CSCCOc1ccc(c(c1)Cl)N 34a_100011215599_100000212216 [0,2,0,0,0,0|1,1,0]=4 14404 B13R1.669 CSCCOc1ccc(c(c1)Cl)N 7a_100011215599_100000212216 [0,2,0,0,0,0|1,1,0]=4 14405 B13R1.669 CSCCOc1ccc(c(c1)F)Br 34a_100000755031_100000212216 [0,2,0,0,0,0|0,2,0]=4 14406 B13R1.669 CSCCOc1ccc(c(c1)F)Br 7a_100000755031_100000212216 [0,2,0,0,0,0|0,2,0]=4 14407 B13R1.669 CSCCOc1ccc(c(c1)F)C 34a_100000722560_100000212216 [0,2,0,0,0,0|1,1,0]=4 14408 B13R1.669 CSCCOc1ccc(c(c1)F)C 7a_100000722560_100000212216 [0,2,0,0,0,0|1,1,0]=4 14409 B13R1.669 CSCCOc1ccc(c(c1)F)Cl 34a_100000691581_100000212216 [0,2,0,0,0,0|0,1,0]=3 14410 B13R1.669 CSCCOc1ccc(c(c1)F)Cl 7a_100000691581_100000212216 [0,2,0,0,0,0|0,1,0]=3 14411 B13R1.669 CSCCOc1ccc(c(c1)F)F 34a_100000181275_100000212216 [0,2,0,0,0,0|0,2,0]=4 14412 B13R1.669 CSCCOc1ccc(c(c1)F)F 7a_100000181275_100000212216 [0,2,0,0,0,0|0,2,0]=4 14413 B13R1.669 CSCCOc1ccc(c(c1)F)I 34a_100009990212_100000212216 [0,2,0,0,0,0|0,2,0]=4 14414 B13R1.669 CSCCOc1ccc(c(c1)F)I 7a_100009990212_100000212216 [0,2,0,0,0,0|0,2,0]=4 14415 B13R1.669 CSCCOc1ccc(c(c1)F)N 34a_100000759473_100000212216 [0,2,0,0,0,0|1,1,0]=4 14416 B13R1.669 CSCCOc1ccc(c(c1)F)N 7a_100000759473_100000212216 [0,2,0,0,0,0|1,1,0]=4 14417 B13R1.669 CSCCOc1ccc(c(c1)I)Br 34a_100012339312_100000212216 [0,2,0,0,0,0|0,2,0]=4 14418 B13R1.669 CSCCOc1ccc(c(c1)I)Br 7a_100012339312_100000212216 [0,2,0,0,0,0|0,2,0]=4 14419 B13R1.669 CSCCOc1ccc(c(c1)I)Cl 34a_100000049588_100000212216 [0,2,0,0,0,0|0,1,0]=3 14420 B13R1.669 CSCCOc1ccc(c(c1)I)Cl 7a_100000049588_100000212216 [0,2,0,0,0,0|0,1,0]=3 14421 B13R1.669 CSCCOc1ccc(c(c1)I)N 34a_100010084370_100000212216 [0,2,0,0,0,0|1,1,0]=4 14422 B13R1.669 CSCCOc1ccc(c(c1)I)N 7a_100010084370_100000212216 [0,2,0,0,0,0|1,1,0]=4 14423 B13R1.669 CSCCOc1ccc(c(c1)N)Br 34a_100011999798_100000212216 [0,2,0,0,0,0|0,2,0]=4 14424 B13R1.669 CSCCOc1ccc(c(c1)N)Br 7a_100011999798_100000212216 [0,2,0,0,0,0|0,2,0]=4 14425 B13R1.669 CSCCOc1ccc(c(c1)N)C 34a_100011216113_100000212216 [0,2,0,0,0,0|1,1,0]=4 14426 B13R1.669 CSCCOc1ccc(c(c1)N)C 7a_100011216113_100000212216 [0,2,0,0,0,0|1,1,0]=4 14427 B13R1.669 CSCCOc1ccc(c(c1)N)Cl 34a_100011934297_100000212216 [0,2,0,0,0,0|0,1,0]=3 14428 B13R1.669 CSCCOc1ccc(c(c1)N)F 34a_100012017239_100000212216 [0,2,0,0,0,0|0,2,0]=4 14429 B13R1.669 CSCCOc1ccc(c(c1)N)F 7a_100012017239_100000212216 [0,2,0,0,0,0|0,2,0]=4 14430 B13R1.669 CSCCOc1ccc(c(c1)N)N 34a_100025771000_100000212216 [0,2,0,0,0,0|1,1,0]=4 14431 B13R1.669 CSCCOc1ccc(c(n1)C)Cl 34a_200009863735_100000212216 [0,2,0,0,0,0|1,1,0]=4 14432 B13R1.669 CSCCOc1cnc(c(c1)Br)Cl 34a_100012356455_100000212216 [0,2,0,0,0,0|1,1,0]=4 14433 B13R1.669 CSCCOc1cnc(c(c1)Br)Cl 7a_100012356455_100000212216 [0,2,0,0,0,0|1,1,0]=4 14434 B13R1.669 CSCCOc1cnc(c(c1)C)Cl 34a_100012002680_100000212216 [0,2,0,0,0,0|1,1,0]=4 14435 B13R1.669 CSCCOc1cnc(c(c1)C)Cl 7a_100012002680_100000212216 [0,2,0,0,0,0|1,1,0]=4 14436 B13R1.669 CSCCOc1cnc(c(c1)Cl)Cl 34a_100000094354_100000212216 [0,2,0,0,0,0|1,1,0]=4 14437 B13R1.669 CSCCOc1cnc(c(c1)Cl)Cl 7a_100000094354_100000212216 [0,2,0,0,0,0|1,1,0]=4 14438 B13R1.669 CSCCOc1cnc(c(c1)F)Cl 34a_100000063512_100000212216 [0,2,0,0,0,0|1,1,0]=4 14439 B13R1.669 CSCCOc1cnc(c(c1)F)Cl 7a_100000063512_100000212216 [0,2,0,0,0,0|1,1,0]=4 14440 B13R1.669 CSCCSc1ccc(c(c1)Br)Cl 62a_100000212216_100012353702 [0,2,0,0,0,0|0,2,0]=4 14441 B13R1.669 CSCCSc1ccc(c(c1)Br)Cl 62a_100012353702_100000751147 [0,2,0,0,0,0|0,2,0]=4 14442 B13R1.669 CSCCSc1ccc(c(c1)C)Cl 62a_100000049509_100000751147 [0,2,0,0,0,0|0,2,0]=4 14443 B13R1.669 CSCCSc1ccc(c(c1)C)Cl 62a_100000212216_100000049509 [0,2,0,0,0,0|0,2,0]=4 14444 B13R1.669 CSCCSc1ccc(c(c1)Cl)Cl 62a_100000212216_100011214914 [0,2,0,0,0,0|0,2,0]=4 14445 B13R1.669 CSCCSc1ccc(c(c1)Cl)Cl 62a_100011214914_100000751147 [0,2,0,0,0,0|0,2,0]=4 14446 B13R1.669 CSCCSc1ccc(c(c1)F)Cl 62a_100000212216_100011216805 [0,2,0,0,0,0|0,2,0]=4 14447 B13R1.669 CSCCSc1ccc(c(c1)F)Cl 62a_100011216805_100000751147 [0,2,0,0,0,0|0,2,0]=4 14448 B13R1.669 CSCCSc1ccc(c(c1)N)Cl 62a_100000212216_200000761891 [0,2,0,0,0,0|0,2,0]=4 14449 B13R1.669 CSCCSc1ccc(c(c1)N)Cl 62a_200000761891_100000751147 [0,2,0,0,0,0|0,2,0]=4 14450 B13R1.669 CSCCSc1ccc(c(c1)O)Cl 62a_100000212216_100011356854 [0,2,0,0,0,0|0,2,0]=4 14451 B13R1.669 CSCCSc1ccc(c(c1)O)Cl 62a_100011356854_100000751147 [0,2,0,0,0,0|0,2,0]=4 14452 B13R1.669 CSCOCc1ccc(c(c1)Br)Cl 34a_100012353893_100011218213 [0,2,0,0,0,0|2,0,0]=4 14453 B13R1.669 CSCOCc1ccc(c(c1)Cl)Cl 34a_100000211588_100011218213 [0,2,0,0,0,0|2,0,0]=4 14454 B13R1.669 CSCOCc1ccc(c(c1)F)Cl 34a_100011218299_100011218213 [0,2,0,0,0,0|2,0,0]=4 14455 B13R1.669 CSCOCc1ccc(c(c1)N)Cl 34a_106256033963_100011218213 [0,2,0,0,0,0|2,0,0]=4 14456 B13R1.669 Cc1cc(ccc1Br)CNCCO 207a_100000210304_100000765772 [0,2,0,0,0,0|1,1,0]=4 14457 B13R1.669 Cc1cc(ccc1Br)CNCCO 2230a_100015205234_100000211926 [0,2,0,0,0,0|1,1,0]=4 14458 B13R1.669 Cc1cc(ccc1Br)CNCCO 2230a_100016997473_100000727479 [0,2,0,0,0,0|1,1,0]=4 14459 B13R1.669 Cc1cc(ccc1Br)CNCCO 270004a_100000210304_100000765772 [0,2,0,0,0,0|1,1,0]=4 14460 B13R1.669 Cc1cc(ccc1Br)CNCCO 34a_100015205234_100000211926 [0,2,0,0,0,0|1,1,0]=4 14461 B13R1.669 Cc1cc(ccc1Br)CNCCO 34a_100016990907_100000727479 [0,2,0,0,0,0|1,1,0]=4 14462 B13R1.669 Cc1cc(ccc1Br)COCCBr 34a_100000211926_100000727479 [0,2,0,0,0,0|1,1,0]=4 14463 B13R1.669 Cc1cc(ccc1Br)COCCF 34a_100000718852_100011217306 [0,2,0,0,0,0|1,1,0]=4 14464 B13R1.669 Cc1cc(ccc1Br)COCCF 7a_100000718852_100011217306 [0,2,0,0,0,0|1,1,0]=4 14465 B13R1.669 Cc1cc(ccc1Br)COCCN 34a_100000210304_100000727479 [0,2,0,0,0,0|1,1,0]=4 14466 B13R1.669 Cc1cc(ccc1Br)COCCO 34a_100000718852_100000211926 [0,2,0,0,0,0|0,1,0]=3 14467 B13R1.669 Cc1cc(ccc1Br)COCCO 7a_100000718852_100000211926 [0,2,0,0,0,0|0,1,0]=3 14468 B13R1.669 Cc1cc(ccc1Br)CSCCO 62a_100000211926_100000727479 [0,2,0,0,0,0|0,2,0]=4 14469 B13R1.669 Cc1cc(ccc1Br)CSCCO 62a_100000727479_100000211926 [0,2,0,0,0,0|0,2,0]=4 14470 B13R1.669 Cc1cc(ccc1Br)NCCCO 2230a_100000210723_100000230001 [0,2,0,0,0,0|1,1,0]=4 14471 B13R1.669 Cc1cc(ccc1Br)NCCCO 34a_100000210723_100000230001 [0,2,0,0,0,0|1,1,0]=4 14472 B13R1.669 Cc1cc(ccc1Br)NCCCO 7a_100000210723_100011215043 [0,2,0,0,0,0|1,1,0]=4 14473 B13R1.669 Cc1cc(ccc1Br)OCCC#N 7a_100000690111_100000184422 [0,2,0,0,0,0|1,1,0]=4 14474 B13R1.669 Cc1cc(ccc1Br)OCCCF 34a_100000690111_100011934791 [0,2,0,0,0,0|1,1,0]=4 14475 B13R1.669 Cc1cc(ccc1Br)OCCCF 7a_100000690111_100011934791 [0,2,0,0,0,0|1,1,0]=4 14476 B13R1.669 Cc1cc(ccc1Br)OCCCO 34a_100000690111_100000230001 [0,2,0,0,0,0|0,1,0]=3 14477 B13R1.669 Cc1cc(ccc1Br)OCCCO 7a_100000690111_100011215043 [0,2,0,0,0,0|0,1,0]=3 14478 B13R1.669 Cc1cc(ccc1Br)SCCCO 62a_100009813585_100011215043 [0,2,0,0,0,0|0,2,0]=4 14479 B13R1.669 Cc1cc(ccc1Br)SCCCO 62a_100011215043_100009813585 [0,2,0,0,0,0|0,2,0]=4 14480 B13R1.669 Cc1cc(ccc1Cl)CNCCF 34a_100000724931_100012184735 [0,2,0,0,0,0|2,0,0]=4 14481 B13R1.669 Cc1cc(ccc1Cl)CNCCO 207a_100000210304_100000698814 [0,2,0,0,0,0|1,0,0]=3 14482 B13R1.669 Cc1cc(ccc1Cl)CNCCO 2230a_100016997473_100012184735 [0,2,0,0,0,0|1,0,0]=3 14483 B13R1.669 Cc1cc(ccc1Cl)CNCCO 270004a_100000210304_100000698814 [0,2,0,0,0,0|1,0,0]=3 14484 B13R1.669 Cc1cc(ccc1Cl)CNCCO 34a_100016990907_100012184735 [0,2,0,0,0,0|1,0,0]=3 14485 B13R1.669 Cc1cc(ccc1Cl)COCCBr 34a_100000211926_100012184735 [0,2,0,0,0,0|1,0,0]=3 14486 B13R1.669 Cc1cc(ccc1Cl)COCCN 34a_100000210304_100012184735 [0,2,0,0,0,0|1,0,0]=3 14487 B13R1.669 Cc1cc(ccc1Cl)CSCCF 62a_100011217306_100012184735 [0,2,0,0,0,0|1,1,0]=4 14488 B13R1.669 Cc1cc(ccc1Cl)CSCCF 62a_100012184735_100011217306 [0,2,0,0,0,0|1,1,0]=4 14489 B13R1.669 Cc1cc(ccc1Cl)CSCCO 62a_100000211926_100012184735 [0,2,0,0,0,0|0,1,0]=3 14490 B13R1.669 Cc1cc(ccc1Cl)CSCCO 62a_100012184735_100000211926 [0,2,0,0,0,0|0,1,0]=3 14491 B13R1.669 Cc1cc(ccc1Cl)NCCC#N 2230a_100000187808_100011215226 [0,2,0,0,0,0|2,0,0]=4 14492 B13R1.669 Cc1cc(ccc1Cl)NCCC#N 7a_100000187808_100000184422 [0,2,0,0,0,0|2,0,0]=4 14493 B13R1.669 Cc1cc(ccc1Cl)NCCCF 2230a_100000187808_100011934791 [0,2,0,0,0,0|2,0,0]=4 14494 B13R1.669 Cc1cc(ccc1Cl)NCCCF 34a_100000187808_100011934791 [0,2,0,0,0,0|2,0,0]=4 14495 B13R1.669 Cc1cc(ccc1Cl)NCCCF 7a_100000187808_100011934791 [0,2,0,0,0,0|2,0,0]=4 14496 B13R1.669 Cc1cc(ccc1Cl)NCCCO 2230a_100000187808_100000230001 [0,2,0,0,0,0|1,0,0]=3 14497 B13R1.669 Cc1cc(ccc1Cl)NCCCO 34a_100000187808_100000230001 [0,2,0,0,0,0|1,0,0]=3 14498 B13R1.669 Cc1cc(ccc1Cl)NCCCO 7a_100000187808_100011215043 [0,2,0,0,0,0|1,0,0]=3 14499 B13R1.669 Cc1cc(ccc1Cl)OCCC#N 7a_100000211092_100000184422 [0,2,0,0,0,0|1,0,0]=3 14500 B13R1.669 Cc1cc(ccc1Cl)OCCCF 34a_100000211092_100011934791 [0,2,0,0,0,0|1,0,0]=3 14501 B13R1.669 Cc1cc(ccc1Cl)OCCCF 7a_100000211092_100011934791 [0,2,0,0,0,0|1,0,0]=3 14502 B13R1.669 Cc1cc(ccc1Cl)OCCCO 34a_100000211092_100000230001 [0,2,0,0,0,0|0,0,0]=2 14503 B13R1.669 Cc1cc(ccc1Cl)OCCCO 7a_100000211092_100011215043 [0,2,0,0,0,0|0,0,0]=2 14504 B13R1.669 Cc1cc(ccc1Cl)OCCN[13CH3] 2230a_100025718798_200025704644 [0,2,0,0,0,0|1,0,0]=3 14505 B13R1.669 Cc1cc(ccc1Cl)OCCN[13CH3] 34a_100025718798_200025704644 [0,2,0,0,0,0|1,0,0]=3 14506 B13R1.669 Cc1cc(ccc1Cl)SCCC#N 62a_100000049509_100011215226 [0,2,0,0,0,0|1,1,0]=4 14507 B13R1.669 Cc1cc(ccc1Cl)SCCC#N 62a_100011215226_100000049509 [0,2,0,0,0,0|1,1,0]=4 14508 B13R1.669 Cc1cc(ccc1Cl)SCCCF 62a_100000049509_100011934791 [0,2,0,0,0,0|1,1,0]=4 14509 B13R1.669 Cc1cc(ccc1Cl)SCCCF 62a_100011934791_100000049509 [0,2,0,0,0,0|1,1,0]=4 14510 B13R1.669 Cc1cc(ccc1Cl)SCCCO 62a_100000049509_100011215043 [0,2,0,0,0,0|0,1,0]=3 14511 B13R1.669 Cc1cc(ccc1Cl)SCCCO 62a_100011215043_100000049509 [0,2,0,0,0,0|0,1,0]=3 14512 B13R1.669 Cc1cc(ccc1F)CNCCO 207a_100000210304_100000748208 [0,2,0,0,0,0|1,1,0]=4 14513 B13R1.669 Cc1cc(ccc1F)CNCCO 2230a_100000239911_100000211926 [0,2,0,0,0,0|1,1,0]=4 14514 B13R1.669 Cc1cc(ccc1F)CNCCO 2230a_100016997473_100011216667 [0,2,0,0,0,0|1,1,0]=4 14515 B13R1.669 Cc1cc(ccc1F)CNCCO 270004a_100000210304_100000748208 [0,2,0,0,0,0|1,1,0]=4 14516 B13R1.669 Cc1cc(ccc1F)CNCCO 34a_100000239911_100000211926 [0,2,0,0,0,0|1,1,0]=4 14517 B13R1.669 Cc1cc(ccc1F)CNCCO 34a_100016990907_100011216667 [0,2,0,0,0,0|1,1,0]=4 14518 B13R1.669 Cc1cc(ccc1F)COCCBr 34a_100000211926_100011216667 [0,2,0,0,0,0|1,1,0]=4 14519 B13R1.669 Cc1cc(ccc1F)COCCF 34a_100011219793_100011217306 [0,2,0,0,0,0|1,1,0]=4 14520 B13R1.669 Cc1cc(ccc1F)COCCF 7a_100011219793_100011217306 [0,2,0,0,0,0|1,1,0]=4 14521 B13R1.669 Cc1cc(ccc1F)COCCN 34a_100000210304_100011216667 [0,2,0,0,0,0|1,1,0]=4 14522 B13R1.669 Cc1cc(ccc1F)COCCO 34a_100011219793_100000211926 [0,2,0,0,0,0|0,1,0]=3 14523 B13R1.669 Cc1cc(ccc1F)COCCO 7a_100011219793_100000211926 [0,2,0,0,0,0|0,1,0]=3 14524 B13R1.669 Cc1cc(ccc1F)CSCCO 62a_100000211926_100011216667 [0,2,0,0,0,0|0,2,0]=4 14525 B13R1.669 Cc1cc(ccc1F)CSCCO 62a_100011216667_100000211926 [0,2,0,0,0,0|0,2,0]=4 14526 B13R1.669 Cc1cc(ccc1F)NCCCO 2230a_100000750164_100000230001 [0,2,0,0,0,0|1,1,0]=4 14527 B13R1.669 Cc1cc(ccc1F)NCCCO 34a_100000750164_100000230001 [0,2,0,0,0,0|1,1,0]=4 14528 B13R1.669 Cc1cc(ccc1F)NCCCO 7a_100000750164_100011215043 [0,2,0,0,0,0|1,1,0]=4 14529 B13R1.669 Cc1cc(ccc1F)OCCC#N 7a_100000751312_100000184422 [0,2,0,0,0,0|1,1,0]=4 14530 B13R1.669 Cc1cc(ccc1F)OCCCF 34a_100000751312_100011934791 [0,2,0,0,0,0|1,1,0]=4 14531 B13R1.669 Cc1cc(ccc1F)OCCCF 7a_100000751312_100011934791 [0,2,0,0,0,0|1,1,0]=4 14532 B13R1.669 Cc1cc(ccc1F)OCCCO 34a_100000751312_100000230001 [0,2,0,0,0,0|0,1,0]=3 14533 B13R1.669 Cc1cc(ccc1F)OCCCO 7a_100000751312_100011215043 [0,2,0,0,0,0|0,1,0]=3 14534 B13R1.669 Cc1cc(ccc1F)SCCCO 62a_100011215043_100011218330 [0,2,0,0,0,0|0,2,0]=4 14535 B13R1.669 Cc1cc(ccc1F)SCCCO 62a_100011218330_100011215043 [0,2,0,0,0,0|0,2,0]=4 14536 B13R1.669 Cc1cc(ccc1I)NCCCO 34a_100000198070_100000230001 [0,2,0,0,0,0|1,1,0]=4 14537 B13R1.669 Cc1cc(ccc1I)NCCCO 7a_100000198070_100011215043 [0,2,0,0,0,0|1,1,0]=4 14538 B13R1.669 Cc1cc(ccc1I)OCCC#N 7a_100000729255_100000184422 [0,2,0,0,0,0|1,1,0]=4 14539 B13R1.669 Cc1cc(ccc1I)OCCCF 34a_100000729255_100011934791 [0,2,0,0,0,0|1,1,0]=4 14540 B13R1.669 Cc1cc(ccc1I)OCCCF 7a_100000729255_100011934791 [0,2,0,0,0,0|1,1,0]=4 14541 B13R1.669 Cc1cc(ccc1I)OCCCO 34a_100000729255_100000230001 [0,2,0,0,0,0|0,1,0]=3 14542 B13R1.669 Cc1cc(ccc1I)OCCCO 7a_100000729255_100011215043 [0,2,0,0,0,0|0,1,0]=3 14543 B13R1.669 Cc1cc(ccc1N)COCCF 34a_200011997030_100011217306 [0,2,0,0,0,0|2,0,0]=4 14544 B13R1.669 Cc1cc(ccc1N)COCCO 34a_200011997030_100000211926 [0,2,0,0,0,0|1,0,0]=3 14545 B13R1.669 Cc1cc(ccc1N)OCCC#N 7a_100000756630_100000184422 [0,2,0,0,0,0|2,0,0]=4 14546 B13R1.669 Cc1cc(ccc1N)OCCCF 34a_100000756630_100011934791 [0,2,0,0,0,0|2,0,0]=4 14547 B13R1.669 Cc1cc(ccc1N)OCCCF 7a_100000756630_100011934791 [0,2,0,0,0,0|2,0,0]=4 14548 B13R1.669 Cc1cc(ccc1N)OCCCO 34a_100000756630_100000230001 [0,2,0,0,0,0|1,0,0]=3 14549 B13R1.669 Cc1cc(ccc1N)OCCCO 7a_100000756630_100011215043 [0,2,0,0,0,0|1,0,0]=3 14550 B13R1.669 Cc1cc(ccc1N)SCCCO 62a_100000211769_100011215043 [0,2,0,0,0,0|1,1,0]=4 14551 B13R1.669 Cc1cc(ccc1N)SCCCO 62a_100011215043_100000211769 [0,2,0,0,0,0|1,1,0]=4 14552 B13R1.669 Cc1cc(ccc1O)NCCCO 34a_100011218179_100000230001 [0,2,0,0,0,0|2,0,0]=4 14553 B13R1.669 Cc1cc(ccc1O)NCCCO 7a_100011218179_100011215043 [0,2,0,0,0,0|2,0,0]=4 14554 B13R1.669 Cc1cc(ccc1O)SCCCO 62a_100011215043_100000186361 [0,2,0,0,0,0|1,1,0]=4 14555 B13R1.669 Cc1cc(cnc1Br)OCCCO 34a_100012000486_100000230001 [0,2,0,0,0,0|1,1,0]=4 14556 B13R1.669 Cc1cc(cnc1Br)OCCCO 7a_100012000486_100011215043 [0,2,0,0,0,0|1,1,0]=4 14557 B13R1.669 Cc1cc(cnc1C)OCCCO 34a_100009854398_100000230001 [0,2,0,0,0,0|2,0,0]=4 14558 B13R1.669 Cc1cc(cnc1C)OCCCO 7a_100009854398_100011215043 [0,2,0,0,0,0|2,0,0]=4 14559 B13R1.669 Cc1cc(cnc1Cl)CNCCO 207a_100000210304_100000070293 [0,2,0,0,0,0|2,0,0]=4 14560 B13R1.669 Cc1cc(cnc1Cl)CNCCO 270004a_100000210304_100000070293 [0,2,0,0,0,0|2,0,0]=4 14561 B13R1.669 Cc1cc(cnc1Cl)COCCF 34a_200000092119_100011217306 [0,2,0,0,0,0|2,0,0]=4 14562 B13R1.669 Cc1cc(cnc1Cl)COCCF 7a_200000092119_100011217306 [0,2,0,0,0,0|2,0,0]=4 14563 B13R1.669 Cc1cc(cnc1Cl)COCCO 34a_200000092119_100000211926 [0,2,0,0,0,0|1,0,0]=3 14564 B13R1.669 Cc1cc(cnc1Cl)COCCO 7a_200000092119_100000211926 [0,2,0,0,0,0|1,0,0]=3 14565 B13R1.669 Cc1cc(cnc1Cl)OCCC#N 7a_100012002680_100000184422 [0,2,0,0,0,0|2,0,0]=4 14566 B13R1.669 Cc1cc(cnc1Cl)OCCCF 34a_100012002680_100011934791 [0,2,0,0,0,0|2,0,0]=4 14567 B13R1.669 Cc1cc(cnc1Cl)OCCCF 7a_100012002680_100011934791 [0,2,0,0,0,0|2,0,0]=4 14568 B13R1.669 Cc1cc(cnc1Cl)OCCCO 34a_100012002680_100000230001 [0,2,0,0,0,0|1,0,0]=3 14569 B13R1.669 Cc1cc(cnc1Cl)OCCCO 7a_100012002680_100011215043 [0,2,0,0,0,0|1,0,0]=3 14570 B13R1.669 Cc1cc(cnc1Cl)SCCCO 62a_100009922867_100011215043 [0,2,0,0,0,0|1,1,0]=4 14571 B13R1.669 Cc1cc(cnc1Cl)SCCCO 62a_100011215043_100009922867 [0,2,0,0,0,0|1,1,0]=4 14572 B13R1.669 Cc1cc(cnc1F)OCCCO 34a_100000094615_100000230001 [0,2,0,0,0,0|1,1,0]=4 14573 B13R1.669 Cc1cc(cnc1F)OCCCO 7a_100000094615_100011215043 [0,2,0,0,0,0|1,1,0]=4 14574 B13R1.669 Cc1cc(ncc1Br)COCCO 34a_200010713146_100000211926 [0,2,0,0,0,0|1,1,0]=4 14575 B13R1.669 Cc1cc(ncc1Br)OCCCO 34a_100000766222_100000230001 [0,2,0,0,0,0|1,1,0]=4 14576 B13R1.669 Cc1cc(ncc1Cl)OCCCF 34a_200000085746_100011934791 [0,2,0,0,0,0|2,0,0]=4 14577 B13R1.669 Cc1cc(ncc1Cl)OCCCO 34a_200000085746_100000230001 [0,2,0,0,0,0|1,0,0]=3 14578 B13R1.669 Cc1ccc(cc1Br)CNCCO 207a_100000210304_100000695567 [0,2,0,0,0,0|2,0,0]=4 14579 B13R1.669 Cc1ccc(cc1Br)CNCCO 2230a_100016997473_100012232412 [0,2,0,0,0,0|2,0,0]=4 14580 B13R1.669 Cc1ccc(cc1Br)CNCCO 270004a_100000210304_100000695567 [0,2,0,0,0,0|2,0,0]=4 14581 B13R1.669 Cc1ccc(cc1Br)CNCCO 34a_100016990907_100012232412 [0,2,0,0,0,0|2,0,0]=4 14582 B13R1.669 Cc1ccc(cc1Br)COCCBr 34a_100000211926_100012232412 [0,2,0,0,0,0|2,0,0]=4 14583 B13R1.669 Cc1ccc(cc1Br)COCCF 34a_100000708995_100011217306 [0,2,0,0,0,0|2,0,0]=4 14584 B13R1.669 Cc1ccc(cc1Br)COCCF 7a_100000708995_100011217306 [0,2,0,0,0,0|2,0,0]=4 14585 B13R1.669 Cc1ccc(cc1Br)COCCN 34a_100000210304_100012232412 [0,2,0,0,0,0|2,0,0]=4 14586 B13R1.669 Cc1ccc(cc1Br)COCCO 34a_100000708995_100000211926 [0,2,0,0,0,0|1,0,0]=3 14587 B13R1.669 Cc1ccc(cc1Br)COCCO 7a_100000708995_100000211926 [0,2,0,0,0,0|1,0,0]=3 14588 B13R1.669 Cc1ccc(cc1Br)CSCCO 62a_100000211926_100012232412 [0,2,0,0,0,0|1,1,0]=4 14589 B13R1.669 Cc1ccc(cc1Br)CSCCO 62a_100012232412_100000211926 [0,2,0,0,0,0|1,1,0]=4 14590 B13R1.669 Cc1ccc(cc1Br)NCCCO 2230a_100000736455_100000230001 [0,2,0,0,0,0|2,0,0]=4 14591 B13R1.669 Cc1ccc(cc1Br)NCCCO 34a_100000736455_100000230001 [0,2,0,0,0,0|2,0,0]=4 14592 B13R1.669 Cc1ccc(cc1Br)NCCCO 7a_100000736455_100011215043 [0,2,0,0,0,0|2,0,0]=4 14593 B13R1.669 Cc1ccc(cc1Br)OCCC#N 7a_100011380479_100000184422 [0,2,0,0,0,0|2,0,0]=4 14594 B13R1.669 Cc1ccc(cc1Br)OCCCF 34a_100011380479_100011934791 [0,2,0,0,0,0|2,0,0]=4 14595 B13R1.669 Cc1ccc(cc1Br)OCCCF 7a_100011380479_100011934791 [0,2,0,0,0,0|2,0,0]=4 14596 B13R1.669 Cc1ccc(cc1Br)OCCCO 34a_100011380479_100000230001 [0,2,0,0,0,0|1,0,0]=3 14597 B13R1.669 Cc1ccc(cc1Br)OCCCO 7a_100011380479_100011215043 [0,2,0,0,0,0|1,0,0]=3 14598 B13R1.669 Cc1ccc(cc1Br)SCCCO 62a_100011215043_100011847877 [0,2,0,0,0,0|1,1,0]=4 14599 B13R1.669 Cc1ccc(cc1Br)SCCCO 62a_100011847877_100011215043 [0,2,0,0,0,0|1,1,0]=4 14600 B13R1.669 Cc1ccc(cc1Br)SCCO[13CH3] 34a_100010989109_200025704644 [0,2,0,0,0,0|1,1,0]=4 14601 B13R1.669 Cc1ccc(cc1Br)SCCO[13CH3] 7a_100010989109_200025704644 [0,2,0,0,0,0|1,1,0]=4 14602 B13R1.669 Cc1ccc(cc1C)CNCCO 207a_100000210304_100000229942 [0,2,0,0,0,0|2,0,0]=4 14603 B13R1.669 Cc1ccc(cc1C)CNCCO 2230a_100016997473_100000742320 [0,2,0,0,0,0|2,0,0]=4 14604 B13R1.669 Cc1ccc(cc1C)CNCCO 2230a_100025706692_100000211926 [0,2,0,0,0,0|2,0,0]=4 14605 B13R1.669 Cc1ccc(cc1C)CNCCO 270004a_100000210304_100000229942 [0,2,0,0,0,0|2,0,0]=4 14606 B13R1.669 Cc1ccc(cc1C)CNCCO 34a_100016990907_100000742320 [0,2,0,0,0,0|2,0,0]=4 14607 B13R1.669 Cc1ccc(cc1C)CNCCO 34a_100025706692_100000211926 [0,2,0,0,0,0|2,0,0]=4 14608 B13R1.669 Cc1ccc(cc1C)COCCBr 34a_100000211926_100000742320 [0,2,0,0,0,0|2,0,0]=4 14609 B13R1.669 Cc1ccc(cc1C)COCCF 34a_100011215342_100011217306 [0,2,0,0,0,0|2,0,0]=4 14610 B13R1.669 Cc1ccc(cc1C)COCCF 7a_100011215342_100011217306 [0,2,0,0,0,0|2,0,0]=4 14611 B13R1.669 Cc1ccc(cc1C)COCCN 34a_100000210304_100000742320 [0,2,0,0,0,0|2,0,0]=4 14612 B13R1.669 Cc1ccc(cc1C)COCCO 34a_100011215342_100000211926 [0,2,0,0,0,0|1,0,0]=3 14613 B13R1.669 Cc1ccc(cc1C)COCCO 7a_100011215342_100000211926 [0,2,0,0,0,0|1,0,0]=3 14614 B13R1.669 Cc1ccc(cc1C)CSCCO 62a_100000211926_100000742320 [0,2,0,0,0,0|1,1,0]=4 14615 B13R1.669 Cc1ccc(cc1C)CSCCO 62a_100000742320_100000211926 [0,2,0,0,0,0|1,1,0]=4 14616 B13R1.669 Cc1ccc(cc1C)NCCCO 2230a_100000724040_100000230001 [0,2,0,0,0,0|2,0,0]=4 14617 B13R1.669 Cc1ccc(cc1C)NCCCO 34a_100000724040_100000230001 [0,2,0,0,0,0|2,0,0]=4 14618 B13R1.669 Cc1ccc(cc1C)NCCCO 7a_100000724040_100011215043 [0,2,0,0,0,0|2,0,0]=4 14619 B13R1.669 Cc1ccc(cc1C)OCCC#N 7a_100000210932_100000184422 [0,2,0,0,0,0|2,0,0]=4 14620 B13R1.669 Cc1ccc(cc1C)OCCCF 34a_100000210932_100011934791 [0,2,0,0,0,0|2,0,0]=4 14621 B13R1.669 Cc1ccc(cc1C)OCCCF 7a_100000210932_100011934791 [0,2,0,0,0,0|2,0,0]=4 14622 B13R1.669 Cc1ccc(cc1C)OCCCO 34a_100000210932_100000230001 [0,2,0,0,0,0|1,0,0]=3 14623 B13R1.669 Cc1ccc(cc1C)OCCCO 7a_100000210932_100011215043 [0,2,0,0,0,0|1,0,0]=3 14624 B13R1.669 Cc1ccc(cc1C)OCCN[13CH3] 2230a_100015185357_200025704644 [0,2,0,0,0,0|2,0,0]=4 14625 B13R1.669 Cc1ccc(cc1C)OCCN[13CH3] 34a_100015185357_200025704644 [0,2,0,0,0,0|2,0,0]=4 14626 B13R1.669 Cc1ccc(cc1C)OCCS[13CH3] 62a_200011210794_200025704644 [0,2,0,0,0,0|1,1,0]=4 14627 B13R1.669 Cc1ccc(cc1C)OCCS[13CH3] 62a_200025704644_200011210794 [0,2,0,0,0,0|1,1,0]=4 14628 B13R1.669 Cc1ccc(cc1C)SCCCO 62a_100011215043_100011215607 [0,2,0,0,0,0|1,1,0]=4 14629 B13R1.669 Cc1ccc(cc1C)SCCCO 62a_100011215607_100011215043 [0,2,0,0,0,0|1,1,0]=4 14630 B13R1.669 Cc1ccc(cc1Cl)CNCCO 207a_100000210304_100000760539 [0,2,0,0,0,0|2,0,0]=4 14631 B13R1.669 Cc1ccc(cc1Cl)CNCCO 2230a_100016997473_100011823929 [0,2,0,0,0,0|2,0,0]=4 14632 B13R1.669 Cc1ccc(cc1Cl)CNCCO 2230a_102495364989_100000211926 [0,2,0,0,0,0|2,0,0]=4 14633 B13R1.669 Cc1ccc(cc1Cl)CNCCO 270004a_100000210304_100000760539 [0,2,0,0,0,0|2,0,0]=4 14634 B13R1.669 Cc1ccc(cc1Cl)CNCCO 34a_100016990907_100011823929 [0,2,0,0,0,0|2,0,0]=4 14635 B13R1.669 Cc1ccc(cc1Cl)CNCCO 34a_102495364989_100000211926 [0,2,0,0,0,0|2,0,0]=4 14636 B13R1.669 Cc1ccc(cc1Cl)COCCBr 34a_100000211926_100011823929 [0,2,0,0,0,0|2,0,0]=4 14637 B13R1.669 Cc1ccc(cc1Cl)COCCF 34a_100011290783_100011217306 [0,2,0,0,0,0|2,0,0]=4 14638 B13R1.669 Cc1ccc(cc1Cl)COCCF 7a_100011290783_100011217306 [0,2,0,0,0,0|2,0,0]=4 14639 B13R1.669 Cc1ccc(cc1Cl)COCCN 34a_100000210304_100011823929 [0,2,0,0,0,0|2,0,0]=4 14640 B13R1.669 Cc1ccc(cc1Cl)COCCO 34a_100011290783_100000211926 [0,2,0,0,0,0|1,0,0]=3 14641 B13R1.669 Cc1ccc(cc1Cl)COCCO 7a_100011290783_100000211926 [0,2,0,0,0,0|1,0,0]=3 14642 B13R1.669 Cc1ccc(cc1Cl)CSCCO 62a_100000211926_100011823929 [0,2,0,0,0,0|1,1,0]=4 14643 B13R1.669 Cc1ccc(cc1Cl)CSCCO 62a_100011823929_100000211926 [0,2,0,0,0,0|1,1,0]=4 14644 B13R1.669 Cc1ccc(cc1Cl)NCCCO 2230a_100000188892_100000230001 [0,2,0,0,0,0|2,0,0]=4 14645 B13R1.669 Cc1ccc(cc1Cl)NCCCO 34a_100000188892_100000230001 [0,2,0,0,0,0|2,0,0]=4 14646 B13R1.669 Cc1ccc(cc1Cl)NCCCO 7a_100000188892_100011215043 [0,2,0,0,0,0|2,0,0]=4 14647 B13R1.669 Cc1ccc(cc1Cl)OCCC#N 7a_100011265682_100000184422 [0,2,0,0,0,0|2,0,0]=4 14648 B13R1.669 Cc1ccc(cc1Cl)OCCCF 34a_100011265682_100011934791 [0,2,0,0,0,0|2,0,0]=4 14649 B13R1.669 Cc1ccc(cc1Cl)OCCCF 7a_100011265682_100011934791 [0,2,0,0,0,0|2,0,0]=4 14650 B13R1.669 Cc1ccc(cc1Cl)OCCCO 34a_100011265682_100000230001 [0,2,0,0,0,0|1,0,0]=3 14651 B13R1.669 Cc1ccc(cc1Cl)OCCCO 7a_100011265682_100011215043 [0,2,0,0,0,0|1,0,0]=3 14652 B13R1.669 Cc1ccc(cc1Cl)SCCCO 62a_100011215043_100011216363 [0,2,0,0,0,0|1,1,0]=4 14653 B13R1.669 Cc1ccc(cc1Cl)SCCCO 62a_100011216363_100011215043 [0,2,0,0,0,0|1,1,0]=4 14654 B13R1.669 Cc1ccc(cc1F)CNCCO 207a_100000210304_100000753222 [0,2,0,0,0,0|2,0,0]=4 14655 B13R1.669 Cc1ccc(cc1F)CNCCO 2230a_100016997473_100011217369 [0,2,0,0,0,0|2,0,0]=4 14656 B13R1.669 Cc1ccc(cc1F)CNCCO 2230a_100102708794_100000211926 [0,2,0,0,0,0|2,0,0]=4 14657 B13R1.669 Cc1ccc(cc1F)CNCCO 270004a_100000210304_100000753222 [0,2,0,0,0,0|2,0,0]=4 14658 B13R1.669 Cc1ccc(cc1F)CNCCO 34a_100016990907_100011217369 [0,2,0,0,0,0|2,0,0]=4 14659 B13R1.669 Cc1ccc(cc1F)CNCCO 34a_100102708794_100000211926 [0,2,0,0,0,0|2,0,0]=4 14660 B13R1.669 Cc1ccc(cc1F)COCCBr 34a_100000211926_100011217369 [0,2,0,0,0,0|2,0,0]=4 14661 B13R1.669 Cc1ccc(cc1F)COCCF 34a_100000702247_100011217306 [0,2,0,0,0,0|2,0,0]=4 14662 B13R1.669 Cc1ccc(cc1F)COCCF 7a_100000702247_100011217306 [0,2,0,0,0,0|2,0,0]=4 14663 B13R1.669 Cc1ccc(cc1F)COCCN 34a_100000210304_100011217369 [0,2,0,0,0,0|2,0,0]=4 14664 B13R1.669 Cc1ccc(cc1F)COCCO 34a_100000702247_100000211926 [0,2,0,0,0,0|1,0,0]=3 14665 B13R1.669 Cc1ccc(cc1F)COCCO 7a_100000702247_100000211926 [0,2,0,0,0,0|1,0,0]=3 14666 B13R1.669 Cc1ccc(cc1F)CSCCO 62a_100000211926_100011217369 [0,2,0,0,0,0|1,1,0]=4 14667 B13R1.669 Cc1ccc(cc1F)CSCCO 62a_100011217369_100000211926 [0,2,0,0,0,0|1,1,0]=4 14668 B13R1.669 Cc1ccc(cc1F)NCCCO 2230a_100000210958_100000230001 [0,2,0,0,0,0|2,0,0]=4 14669 B13R1.669 Cc1ccc(cc1F)NCCCO 34a_100000210958_100000230001 [0,2,0,0,0,0|2,0,0]=4 14670 B13R1.669 Cc1ccc(cc1F)NCCCO 7a_100000210958_100011215043 [0,2,0,0,0,0|2,0,0]=4 14671 B13R1.669 Cc1ccc(cc1F)OCCC#N 7a_100000722560_100000184422 [0,2,0,0,0,0|2,0,0]=4 14672 B13R1.669 Cc1ccc(cc1F)OCCCF 34a_100000722560_100011934791 [0,2,0,0,0,0|2,0,0]=4 14673 B13R1.669 Cc1ccc(cc1F)OCCCF 7a_100000722560_100011934791 [0,2,0,0,0,0|2,0,0]=4 14674 B13R1.669 Cc1ccc(cc1F)OCCCO 34a_100000722560_100000230001 [0,2,0,0,0,0|1,0,0]=3 14675 B13R1.669 Cc1ccc(cc1F)OCCCO 7a_100000722560_100011215043 [0,2,0,0,0,0|1,0,0]=3 14676 B13R1.669 Cc1ccc(cc1F)SCCCO 62a_100000720648_100011215043 [0,2,0,0,0,0|1,1,0]=4 14677 B13R1.669 Cc1ccc(cc1F)SCCCO 62a_100011215043_100000720648 [0,2,0,0,0,0|1,1,0]=4 14678 B13R1.669 Cc1ccc(cc1I)CNCCO 207a_100000210304_100010197721 [0,2,0,0,0,0|2,0,0]=4 14679 B13R1.669 Cc1ccc(cc1I)CNCCO 2230a_100016997473_100010206137 [0,2,0,0,0,0|2,0,0]=4 14680 B13R1.669 Cc1ccc(cc1I)CNCCO 270004a_100000210304_100010197721 [0,2,0,0,0,0|2,0,0]=4 14681 B13R1.669 Cc1ccc(cc1I)CNCCO 34a_100016990907_100010206137 [0,2,0,0,0,0|2,0,0]=4 14682 B13R1.669 Cc1ccc(cc1I)COCCBr 34a_100000211926_100010206137 [0,2,0,0,0,0|2,0,0]=4 14683 B13R1.669 Cc1ccc(cc1I)COCCF 34a_100000050133_100011217306 [0,2,0,0,0,0|2,0,0]=4 14684 B13R1.669 Cc1ccc(cc1I)COCCF 7a_100000050133_100011217306 [0,2,0,0,0,0|2,0,0]=4 14685 B13R1.669 Cc1ccc(cc1I)COCCN 34a_100000210304_100010206137 [0,2,0,0,0,0|2,0,0]=4 14686 B13R1.669 Cc1ccc(cc1I)COCCO 34a_100000050133_100000211926 [0,2,0,0,0,0|1,0,0]=3 14687 B13R1.669 Cc1ccc(cc1I)COCCO 7a_100000050133_100000211926 [0,2,0,0,0,0|1,0,0]=3 14688 B13R1.669 Cc1ccc(cc1I)CSCCO 62a_100000211926_100010206137 [0,2,0,0,0,0|1,1,0]=4 14689 B13R1.669 Cc1ccc(cc1I)CSCCO 62a_100010206137_100000211926 [0,2,0,0,0,0|1,1,0]=4 14690 B13R1.669 Cc1ccc(cc1I)NCCCO 34a_100000184131_100000230001 [0,2,0,0,0,0|2,0,0]=4 14691 B13R1.669 Cc1ccc(cc1I)NCCCO 7a_100000184131_100011215043 [0,2,0,0,0,0|2,0,0]=4 14692 B13R1.669 Cc1ccc(cc1N)COCCF 34a_100000758420_100011217306 [0,2,0,0,0,0|2,0,0]=4 14693 B13R1.669 Cc1ccc(cc1N)COCCO 34a_100000758420_100000211926 [0,2,0,0,0,0|1,0,0]=3 14694 B13R1.669 Cc1ccc(cc1N)OCCC#N 7a_100011216113_100000184422 [0,2,0,0,0,0|2,0,0]=4 14695 B13R1.669 Cc1ccc(cc1N)OCCCF 34a_100011216113_100011934791 [0,2,0,0,0,0|2,0,0]=4 14696 B13R1.669 Cc1ccc(cc1N)OCCCF 7a_100011216113_100011934791 [0,2,0,0,0,0|2,0,0]=4 14697 B13R1.669 Cc1ccc(cc1N)OCCCO 34a_100011216113_100000230001 [0,2,0,0,0,0|1,0,0]=3 14698 B13R1.669 Cc1ccc(cc1N)OCCCO 7a_100011216113_100011215043 [0,2,0,0,0,0|1,0,0]=3 14699 B13R1.669 Cc1ccc(cc1N)OCCO[13CH3] 34a_100012283766_200025704644 [0,2,0,0,0,0|1,0,0]=3 14700 B13R1.669 Cc1ccc(cc1N)OCCO[13CH3] 7a_100012283766_200025704644 [0,2,0,0,0,0|1,0,0]=3 14701 B13R1.669 Cc1ccc(cc1N)SCCCO 62a_100000761890_100011215043 [0,2,0,0,0,0|1,1,0]=4 14702 B13R1.669 Cc1ccc(cc1N)SCCCO 62a_100011215043_100000761890 [0,2,0,0,0,0|1,1,0]=4 14703 B13R1.669 Cc1ccc(cc1O)NCCCO 34a_100000759471_100000230001 [0,2,0,0,0,0|2,0,0]=4 14704 B13R1.669 Cc1ccc(cc1O)NCCCO 7a_100000759471_100011215043 [0,2,0,0,0,0|2,0,0]=4 14705 B13R1.669 Cc1ccc(cc1O)SCCCO 62a_100000685420_100011215043 [0,2,0,0,0,0|1,1,0]=4 14706 B13R1.669 Cc1ccc(cc1O)SCCCO 62a_100011215043_100000685420 [0,2,0,0,0,0|1,1,0]=4 14707 B13R1.669 Cc1cnc(cc1Br)COCCO 34a_100010113723_100000211926 [0,2,0,0,0,0|2,0,0]=4 14708 B13R1.669 Cc1cnc(cc1Br)COCCO 7a_100010113723_100000211926 [0,2,0,0,0,0|2,0,0]=4 14709 B13R1.669 Cc1cnc(cc1Br)OCCCO 34a_100009831917_100000230001 [0,2,0,0,0,0|2,0,0]=4 14710 B13R1.669 Cc1cnc(cc1Cl)COCCO 34a_200000144627_100000211926 [0,2,0,0,0,0|2,0,0]=4 14711 B13R1.669 Cc1cnc(cc1Cl)COCCO 7a_200000144627_100000211926 [0,2,0,0,0,0|2,0,0]=4 14712 B13R1.669 Cc1nc(ccc1Br)COCCO 34a_100010114280_100000211926 [0,2,0,0,0,0|1,1,0]=4 14713 B13R1.669 Cc1nc(ccc1Br)OCCCO 34a_100000691680_100000230001 [0,2,0,0,0,0|1,1,0]=4 14714 B13R1.669 Cc1nc(ccc1Cl)OCCCF 34a_200009863735_100011934791 [0,2,0,0,0,0|2,0,0]=4 14715 B13R1.669 Cc1nc(ccc1Cl)OCCCO 34a_200009863735_100000230001 [0,2,0,0,0,0|1,0,0]=3 14716 B13R1.669 Cc1nc(ccc1F)COCCO 34a_200009884719_100000211926 [0,2,0,0,0,0|1,1,0]=4 14717 B13R1.669 Cc1ncc(cc1Br)OCCCO 34a_100009819603_100000230001 [0,2,0,0,0,0|2,0,0]=4 14718 B13R1.669 Cc1ncc(cc1Br)OCCCO 7a_100009819603_100011215043 [0,2,0,0,0,0|2,0,0]=4 14719 B13R1.669 Cc1ncc(cc1F)COCCO 34a_100009839834_100000211926 [0,2,0,0,0,0|2,0,0]=4 14720 B13R1.669 Cc1ncc(cc1F)COCCO 7a_100009839834_100000211926 [0,2,0,0,0,0|2,0,0]=4 14721 B13R1.669 Clc1cc(ccc1Br)COCCBr 34a_100000211926_100012353895 [0,2,0,0,0,0|1,1,0]=4 14722 B13R1.669 Clc1cc(ccc1I)COCCBr 34a_100000211926_100012349665 [0,2,0,0,0,0|1,1,0]=4 14723 B13R1.669 Clc1cc(cnc1Cl)COCCBr 34a_100000211926_100009843750 [0,2,0,0,0,0|2,0,0]=4 14724 B13R1.669 Clc1ccc(cc1Br)COCCBr 34a_100000211926_100012353894 [0,2,0,0,0,0|1,0,0]=3 14725 B13R1.669 Clc1ccc(cc1Cl)COCCBr 34a_100000211926_100000184707 [0,2,0,0,0,0|1,0,0]=3 14726 B13R1.669 Clc1ncc(cc1I)COCCBr 34a_100000211926_100011072623 [0,2,0,0,0,0|2,0,0]=4 14727 B13R1.669 FCCCNc1ccc(c(c1)Br)Cl 2230a_100000686031_100011934791 [0,2,0,0,0,0|2,0,0]=4 14728 B13R1.669 FCCCNc1ccc(c(c1)Br)Cl 34a_100000686031_100011934791 [0,2,0,0,0,0|2,0,0]=4 14729 B13R1.669 FCCCNc1ccc(c(c1)Cl)Cl 2230a_100000184108_100011934791 [0,2,0,0,0,0|2,0,0]=4 14730 B13R1.669 FCCCNc1ccc(c(c1)Cl)Cl 34a_100000184108_100011934791 [0,2,0,0,0,0|2,0,0]=4 14731 B13R1.669 FCCCNc1ccc(c(c1)F)Cl 2230a_100000739366_100011934791 [0,2,0,0,0,0|2,0,0]=4 14732 B13R1.669 FCCCNc1ccc(c(c1)F)Cl 34a_100000739366_100011934791 [0,2,0,0,0,0|2,0,0]=4 14733 B13R1.669 FCCCNc1ccc(c(c1)F)Cl 7a_100000739366_100011934791 [0,2,0,0,0,0|2,0,0]=4 14734 B13R1.669 FCCCNc1ccc(c(c1)I)Cl 34a_100012360549_100011934791 [0,2,0,0,0,0|2,0,0]=4 14735 B13R1.669 FCCCOc1cc(c(cn1)Cl)Cl 34a_200000099200_100011934791 [0,2,0,0,0,0|2,0,0]=4 14736 B13R1.669 FCCCOc1ccc(c(c1)Br)Cl 34a_100011933957_100011934791 [0,2,0,0,0,0|1,0,0]=3 14737 B13R1.669 FCCCOc1ccc(c(c1)Br)Cl 7a_100011933957_100011934791 [0,2,0,0,0,0|1,0,0]=3 14738 B13R1.669 FCCCOc1ccc(c(c1)Br)F 34a_100000693481_100011934791 [0,2,0,0,0,0|1,1,0]=4 14739 B13R1.669 FCCCOc1ccc(c(c1)Br)F 7a_100000693481_100011934791 [0,2,0,0,0,0|1,1,0]=4 14740 B13R1.669 FCCCOc1ccc(c(c1)Br)I 34a_100000701344_100011934791 [0,2,0,0,0,0|1,1,0]=4 14741 B13R1.669 FCCCOc1ccc(c(c1)Br)I 7a_100000701344_100011934791 [0,2,0,0,0,0|1,1,0]=4 14742 B13R1.669 FCCCOc1ccc(c(c1)Cl)Br 34a_100011215161_100011934791 [0,2,0,0,0,0|1,1,0]=4 14743 B13R1.669 FCCCOc1ccc(c(c1)Cl)Br 7a_100011215161_100011934791 [0,2,0,0,0,0|1,1,0]=4 14744 B13R1.669 FCCCOc1ccc(c(c1)Cl)Cl 34a_100000211054_100011934791 [0,2,0,0,0,0|1,0,0]=3 14745 B13R1.669 FCCCOc1ccc(c(c1)Cl)Cl 7a_100000211054_100011934791 [0,2,0,0,0,0|1,0,0]=3 14746 B13R1.669 FCCCOc1ccc(c(c1)Cl)F 34a_100000211030_100011934791 [0,2,0,0,0,0|1,1,0]=4 14747 B13R1.669 FCCCOc1ccc(c(c1)Cl)F 7a_100000211030_100011934791 [0,2,0,0,0,0|1,1,0]=4 14748 B13R1.669 FCCCOc1ccc(c(c1)Cl)I 34a_100000047559_100011934791 [0,2,0,0,0,0|1,1,0]=4 14749 B13R1.669 FCCCOc1ccc(c(c1)Cl)I 7a_100000047559_100011934791 [0,2,0,0,0,0|1,1,0]=4 14750 B13R1.669 FCCCOc1ccc(c(c1)F)Br 34a_100000755031_100011934791 [0,2,0,0,0,0|1,1,0]=4 14751 B13R1.669 FCCCOc1ccc(c(c1)F)Br 7a_100000755031_100011934791 [0,2,0,0,0,0|1,1,0]=4 14752 B13R1.669 FCCCOc1ccc(c(c1)F)Cl 34a_100000691581_100011934791 [0,2,0,0,0,0|1,0,0]=3 14753 B13R1.669 FCCCOc1ccc(c(c1)F)Cl 7a_100000691581_100011934791 [0,2,0,0,0,0|1,0,0]=3 14754 B13R1.669 FCCCOc1ccc(c(c1)F)F 34a_100000181275_100011934791 [0,2,0,0,0,0|1,1,0]=4 14755 B13R1.669 FCCCOc1ccc(c(c1)F)F 7a_100000181275_100011934791 [0,2,0,0,0,0|1,1,0]=4 14756 B13R1.669 FCCCOc1ccc(c(c1)F)I 34a_100009990212_100011934791 [0,2,0,0,0,0|1,1,0]=4 14757 B13R1.669 FCCCOc1ccc(c(c1)F)I 7a_100009990212_100011934791 [0,2,0,0,0,0|1,1,0]=4 14758 B13R1.669 FCCCOc1ccc(c(c1)I)Br 34a_100012339312_100011934791 [0,2,0,0,0,0|1,1,0]=4 14759 B13R1.669 FCCCOc1ccc(c(c1)I)Br 7a_100012339312_100011934791 [0,2,0,0,0,0|1,1,0]=4 14760 B13R1.669 FCCCOc1ccc(c(c1)I)Cl 34a_100000049588_100011934791 [0,2,0,0,0,0|1,0,0]=3 14761 B13R1.669 FCCCOc1ccc(c(c1)I)Cl 7a_100000049588_100011934791 [0,2,0,0,0,0|1,0,0]=3 14762 B13R1.669 FCCCOc1cnc(c(c1)Br)Cl 34a_100012356455_100011934791 [0,2,0,0,0,0|2,0,0]=4 14763 B13R1.669 FCCCOc1cnc(c(c1)Br)Cl 7a_100012356455_100011934791 [0,2,0,0,0,0|2,0,0]=4 14764 B13R1.669 FCCCOc1cnc(c(c1)Cl)Cl 34a_100000094354_100011934791 [0,2,0,0,0,0|2,0,0]=4 14765 B13R1.669 FCCCOc1cnc(c(c1)Cl)Cl 7a_100000094354_100011934791 [0,2,0,0,0,0|2,0,0]=4 14766 B13R1.669 FCCCOc1cnc(c(c1)F)Cl 34a_100000063512_100011934791 [0,2,0,0,0,0|2,0,0]=4 14767 B13R1.669 FCCCOc1cnc(c(c1)F)Cl 7a_100000063512_100011934791 [0,2,0,0,0,0|2,0,0]=4 14768 B13R1.669 FCCCSc1ccc(c(c1)Br)Cl 62a_100011934791_100012353702 [0,2,0,0,0,0|1,1,0]=4 14769 B13R1.669 FCCCSc1ccc(c(c1)Br)Cl 62a_100012353702_100011934791 [0,2,0,0,0,0|1,1,0]=4 14770 B13R1.669 FCCCSc1ccc(c(c1)Cl)Cl 62a_100011214914_100011934791 [0,2,0,0,0,0|1,1,0]=4 14771 B13R1.669 FCCCSc1ccc(c(c1)Cl)Cl 62a_100011934791_100011214914 [0,2,0,0,0,0|1,1,0]=4 14772 B13R1.669 FCCCSc1ccc(c(c1)F)Cl 62a_100011216805_100011934791 [0,2,0,0,0,0|1,1,0]=4 14773 B13R1.669 FCCCSc1ccc(c(c1)F)Cl 62a_100011934791_100011216805 [0,2,0,0,0,0|1,1,0]=4 14774 B13R1.669 FCCNCc1ccc(c(c1)Br)Cl 2230a_100012349490_100011217306 [0,2,0,0,0,0|2,0,0]=4 14775 B13R1.669 FCCNCc1ccc(c(c1)Br)Cl 34a_100000724931_100012353894 [0,2,0,0,0,0|2,0,0]=4 14776 B13R1.669 FCCNCc1ccc(c(c1)Br)Cl 34a_100012349490_100011217306 [0,2,0,0,0,0|2,0,0]=4 14777 B13R1.669 FCCNCc1ccc(c(c1)Cl)Cl 2230a_100000174881_100011217306 [0,2,0,0,0,0|2,0,0]=4 14778 B13R1.669 FCCNCc1ccc(c(c1)Cl)Cl 34a_100000174881_100011217306 [0,2,0,0,0,0|2,0,0]=4 14779 B13R1.669 FCCNCc1ccc(c(c1)Cl)Cl 34a_100000724931_100000184707 [0,2,0,0,0,0|2,0,0]=4 14780 B13R1.669 FCCNCc1ccc(c(c1)F)Cl 2230a_100011219866_100011217306 [0,2,0,0,0,0|2,0,0]=4 14781 B13R1.669 FCCNCc1ccc(c(c1)F)Cl 34a_100000724931_100011519011 [0,2,0,0,0,0|2,0,0]=4 14782 B13R1.669 FCCNCc1ccc(c(c1)F)Cl 34a_100011219866_100011217306 [0,2,0,0,0,0|2,0,0]=4 14783 B13R1.669 FCCOCc1ccc(c(c1)Br)Cl 34a_100012353893_100011217306 [0,2,0,0,0,0|1,0,0]=3 14784 B13R1.669 FCCOCc1ccc(c(c1)Br)Cl 7a_100012353893_100011217306 [0,2,0,0,0,0|1,0,0]=3 14785 B13R1.669 FCCOCc1ccc(c(c1)Br)F 34a_100000246287_100011217306 [0,2,0,0,0,0|1,1,0]=4 14786 B13R1.669 FCCOCc1ccc(c(c1)Br)F 7a_100000246287_100011217306 [0,2,0,0,0,0|1,1,0]=4 14787 B13R1.669 FCCOCc1ccc(c(c1)Cl)Br 34a_100000709168_100011217306 [0,2,0,0,0,0|1,1,0]=4 14788 B13R1.669 FCCOCc1ccc(c(c1)Cl)Br 7a_100000709168_100011217306 [0,2,0,0,0,0|1,1,0]=4 14789 B13R1.669 FCCOCc1ccc(c(c1)Cl)Cl 34a_100000211588_100011217306 [0,2,0,0,0,0|1,0,0]=3 14790 B13R1.669 FCCOCc1ccc(c(c1)Cl)Cl 7a_100000211588_100011217306 [0,2,0,0,0,0|1,0,0]=3 14791 B13R1.669 FCCOCc1ccc(c(c1)Cl)F 34a_100011217911_100011217306 [0,2,0,0,0,0|1,1,0]=4 14792 B13R1.669 FCCOCc1ccc(c(c1)Cl)F 7a_100011217911_100011217306 [0,2,0,0,0,0|1,1,0]=4 14793 B13R1.669 FCCOCc1ccc(c(c1)Cl)I 34a_100000718186_100011217306 [0,2,0,0,0,0|1,1,0]=4 14794 B13R1.669 FCCOCc1ccc(c(c1)Cl)I 7a_100000718186_100011217306 [0,2,0,0,0,0|1,1,0]=4 14795 B13R1.669 FCCOCc1ccc(c(c1)F)Br 34a_100011533735_100011217306 [0,2,0,0,0,0|1,1,0]=4 14796 B13R1.669 FCCOCc1ccc(c(c1)F)Br 7a_100011533735_100011217306 [0,2,0,0,0,0|1,1,0]=4 14797 B13R1.669 FCCOCc1ccc(c(c1)F)Cl 34a_100011218299_100011217306 [0,2,0,0,0,0|1,0,0]=3 14798 B13R1.669 FCCOCc1ccc(c(c1)F)Cl 7a_100011218299_100011217306 [0,2,0,0,0,0|1,0,0]=3 14799 B13R1.669 FCCOCc1ccc(c(c1)F)F 34a_100011215442_100011217306 [0,2,0,0,0,0|1,1,0]=4 14800 B13R1.669 FCCOCc1ccc(c(c1)F)F 7a_100011215442_100011217306 [0,2,0,0,0,0|1,1,0]=4 14801 B13R1.669 FCCOCc1ccc(c(c1)F)I 34a_100010149597_100011217306 [0,2,0,0,0,0|1,1,0]=4 14802 B13R1.669 FCCOCc1ccc(c(c1)F)I 7a_100010149597_100011217306 [0,2,0,0,0,0|1,1,0]=4 14803 B13R1.669 FCCOCc1ccc(c(c1)I)F 34a_100000049585_100011217306 [0,2,0,0,0,0|1,1,0]=4 14804 B13R1.669 FCCOCc1ccc(c(c1)I)F 7a_100000049585_100011217306 [0,2,0,0,0,0|1,1,0]=4 14805 B13R1.669 FCCOCc1cnc(c(c1)Br)Cl 34a_100010201731_100011217306 [0,2,0,0,0,0|2,0,0]=4 14806 B13R1.669 FCCOCc1cnc(c(c1)Br)Cl 7a_100010201731_100011217306 [0,2,0,0,0,0|2,0,0]=4 14807 B13R1.669 FCCOCc1cnc(c(c1)Cl)Cl 34a_100000042784_100011217306 [0,2,0,0,0,0|2,0,0]=4 14808 B13R1.669 FCCOCc1cnc(c(c1)Cl)Cl 7a_100000042784_100011217306 [0,2,0,0,0,0|2,0,0]=4 14809 B13R1.669 FCCOCc1cnc(c(c1)I)Cl 34a_200015217190_100011217306 [0,2,0,0,0,0|2,0,0]=4 14810 B13R1.669 FCCOCc1cnc(c(c1)I)Cl 7a_200015217190_100011217306 [0,2,0,0,0,0|2,0,0]=4 14811 B13R1.669 FCCSCc1ccc(c(c1)Br)Cl 62a_100011217306_100012353894 [0,2,0,0,0,0|1,1,0]=4 14812 B13R1.669 FCCSCc1ccc(c(c1)Br)Cl 62a_100012353894_100011217306 [0,2,0,0,0,0|1,1,0]=4 14813 B13R1.669 FCCSCc1ccc(c(c1)Cl)Cl 62a_100000184707_100011217306 [0,2,0,0,0,0|1,1,0]=4 14814 B13R1.669 FCCSCc1ccc(c(c1)Cl)Cl 62a_100011217306_100000184707 [0,2,0,0,0,0|1,1,0]=4 14815 B13R1.669 FCCSCc1ccc(c(c1)F)Cl 62a_100000716492_100011217306 [0,2,0,0,0,0|1,1,0]=4 14816 B13R1.669 FCCSCc1ccc(c(c1)F)Cl 62a_100011217306_100000716492 [0,2,0,0,0,0|1,1,0]=4 14817 B13R1.669 FCNCCc1ccc(c(c1)Cl)Cl 34a_100011207230_100015361967 [0,2,0,0,0,0|2,0,0]=4 14818 B13R1.669 FCOCCc1ccc(c(c1)Cl)Cl 34a_100011709245_100015361967 [0,2,0,0,0,0|2,0,0]=4 14819 B13R1.669 FCOCCc1ccc(c(c1)Cl)Cl 7a_100011709245_100015361967 [0,2,0,0,0,0|2,0,0]=4 14820 B13R1.669 FCOCCc1ccc(c(c1)F)Cl 34a_100011934464_100015361967 [0,2,0,0,0,0|2,0,0]=4 14821 B13R1.669 FCOCCc1ccc(c(c1)F)Cl 7a_100011934464_100015361967 [0,2,0,0,0,0|2,0,0]=4 14822 B13R1.669 FCSCCc1ccc(c(c1)Cl)Cl 62a_100011713676_100015361967 [0,2,0,0,0,0|2,0,0]=4 14823 B13R1.669 FCSCCc1ccc(c(c1)Cl)Cl 62a_100015361967_100011713676 [0,2,0,0,0,0|2,0,0]=4 14824 B13R1.669 Fc1cc(ccc1Br)COCCBr 34a_100000211926_100000767054 [0,2,0,0,0,0|1,1,0]=4 14825 B13R1.669 Fc1cc(ccc1Cl)COCCBr 34a_100000211926_100011519011 [0,2,0,0,0,0|1,0,0]=3 14826 B13R1.669 Fc1cc(ccc1I)COCCBr 34a_100000211926_100010149604 [0,2,0,0,0,0|1,1,0]=4 14827 B13R1.669 Fc1ccc(cc1Br)COCCBr 34a_100000211926_100011206884 [0,2,0,0,0,0|1,1,0]=4 14828 B13R1.669 Fc1ccc(cc1Cl)COCCBr 34a_100000211926_100011934319 [0,2,0,0,0,0|1,1,0]=4 14829 B13R1.669 Fc1ccc(cc1F)COCCBr 34a_100000211926_100000757363 [0,2,0,0,0,0|1,1,0]=4 14830 B13R1.669 Fc1ccc(cc1I)COCCBr 34a_100000211926_100010188208 [0,2,0,0,0,0|1,1,0]=4 14831 B13R1.669 N#CCCNc1ccc(c(c1)Br)Cl 2230a_100000686031_100011215226 [0,2,0,0,0,0|2,0,0]=4 14832 B13R1.669 N#CCCNc1ccc(c(c1)Cl)Cl 2230a_100000184108_100011215226 [0,2,0,0,0,0|2,0,0]=4 14833 B13R1.669 N#CCCNc1ccc(c(c1)F)Cl 2230a_100000739366_100011215226 [0,2,0,0,0,0|2,0,0]=4 14834 B13R1.669 N#CCCNc1ccc(c(c1)F)Cl 7a_100000739366_100000184422 [0,2,0,0,0,0|2,0,0]=4 14835 B13R1.669 N#CCCOc1ccc(c(c1)Br)Cl 7a_100011933957_100000184422 [0,2,0,0,0,0|1,0,0]=3 14836 B13R1.669 N#CCCOc1ccc(c(c1)Br)F 7a_100000693481_100000184422 [0,2,0,0,0,0|1,1,0]=4 14837 B13R1.669 N#CCCOc1ccc(c(c1)Br)I 7a_100000701344_100000184422 [0,2,0,0,0,0|1,1,0]=4 14838 B13R1.669 N#CCCOc1ccc(c(c1)Br)N 7a_100012001276_100000184422 [0,2,0,0,0,0|2,0,0]=4 14839 B13R1.669 N#CCCOc1ccc(c(c1)Cl)Br 7a_100011215161_100000184422 [0,2,0,0,0,0|1,1,0]=4 14840 B13R1.669 N#CCCOc1ccc(c(c1)Cl)Cl 7a_100000211054_100000184422 [0,2,0,0,0,0|1,0,0]=3 14841 B13R1.669 N#CCCOc1ccc(c(c1)Cl)F 7a_100000211030_100000184422 [0,2,0,0,0,0|1,1,0]=4 14842 B13R1.669 N#CCCOc1ccc(c(c1)Cl)I 7a_100000047559_100000184422 [0,2,0,0,0,0|1,1,0]=4 14843 B13R1.669 N#CCCOc1ccc(c(c1)Cl)N 7a_100011215599_100000184422 [0,2,0,0,0,0|2,0,0]=4 14844 B13R1.669 N#CCCOc1ccc(c(c1)F)Br 7a_100000755031_100000184422 [0,2,0,0,0,0|1,1,0]=4 14845 B13R1.669 N#CCCOc1ccc(c(c1)F)Cl 7a_100000691581_100000184422 [0,2,0,0,0,0|1,0,0]=3 14846 B13R1.669 N#CCCOc1ccc(c(c1)F)F 7a_100000181275_100000184422 [0,2,0,0,0,0|1,1,0]=4 14847 B13R1.669 N#CCCOc1ccc(c(c1)F)I 7a_100009990212_100000184422 [0,2,0,0,0,0|1,1,0]=4 14848 B13R1.669 N#CCCOc1ccc(c(c1)F)N 7a_100000759473_100000184422 [0,2,0,0,0,0|2,0,0]=4 14849 B13R1.669 N#CCCOc1ccc(c(c1)I)Br 7a_100012339312_100000184422 [0,2,0,0,0,0|1,1,0]=4 14850 B13R1.669 N#CCCOc1ccc(c(c1)I)Cl 7a_100000049588_100000184422 [0,2,0,0,0,0|1,0,0]=3 14851 B13R1.669 N#CCCOc1ccc(c(c1)I)N 7a_100010084370_100000184422 [0,2,0,0,0,0|2,0,0]=4 14852 B13R1.669 N#CCCOc1ccc(c(c1)N)Br 7a_100011999798_100000184422 [0,2,0,0,0,0|1,1,0]=4 14853 B13R1.669 N#CCCOc1ccc(c(c1)N)F 7a_100012017239_100000184422 [0,2,0,0,0,0|1,1,0]=4 14854 B13R1.669 N#CCCOc1cnc(c(c1)Br)Cl 7a_100012356455_100000184422 [0,2,0,0,0,0|2,0,0]=4 14855 B13R1.669 N#CCCOc1cnc(c(c1)Cl)Cl 7a_100000094354_100000184422 [0,2,0,0,0,0|2,0,0]=4 14856 B13R1.669 N#CCCOc1cnc(c(c1)F)Cl 7a_100000063512_100000184422 [0,2,0,0,0,0|2,0,0]=4 14857 B13R1.669 N#CCCSc1ccc(c(c1)Br)Cl 62a_100011215226_100012353702 [0,2,0,0,0,0|1,1,0]=4 14858 B13R1.669 N#CCCSc1ccc(c(c1)Br)Cl 62a_100012353702_100011215226 [0,2,0,0,0,0|1,1,0]=4 14859 B13R1.669 N#CCCSc1ccc(c(c1)Cl)Cl 62a_100011214914_100011215226 [0,2,0,0,0,0|1,1,0]=4 14860 B13R1.669 N#CCCSc1ccc(c(c1)Cl)Cl 62a_100011215226_100011214914 [0,2,0,0,0,0|1,1,0]=4 14861 B13R1.669 N#CCCSc1ccc(c(c1)F)Cl 62a_100011215226_100011216805 [0,2,0,0,0,0|1,1,0]=4 14862 B13R1.669 N#CCCSc1ccc(c(c1)F)Cl 62a_100011216805_100011215226 [0,2,0,0,0,0|1,1,0]=4 14863 B13R1.669 N#CCCSc1ccc(c(c1)N)Cl 62a_100011215226_200000761891 [0,2,0,0,0,0|1,1,0]=4 14864 B13R1.669 N#CCCSc1ccc(c(c1)N)Cl 62a_200000761891_100011215226 [0,2,0,0,0,0|1,1,0]=4 14865 B13R1.669 N#CCCSc1ccc(c(c1)O)Cl 62a_100011215226_100011356854 [0,2,0,0,0,0|1,1,0]=4 14866 B13R1.669 N#CCCSc1ccc(c(c1)O)Cl 62a_100011356854_100011215226 [0,2,0,0,0,0|1,1,0]=4 14867 B13R1.669 N#CCOCc1ccc(c(c1)Br)Cl 7a_100012353893_100011215382 [0,2,0,0,0,0|1,0,1]=4 14868 B13R1.669 N#CCOCc1ccc(c(c1)Cl)Cl 7a_100000211588_100011215382 [0,2,0,0,0,0|1,0,1]=4 14869 B13R1.669 N#CCOCc1ccc(c(c1)F)Cl 7a_100011218299_100011215382 [0,2,0,0,0,0|1,0,1]=4 14870 B13R1.669 NCCOCc1ccc(c(c1)Br)Br 34a_100000210304_100012353900 [0,2,0,0,0,0|1,1,0]=4 14871 B13R1.669 NCCOCc1ccc(c(c1)Br)Cl 34a_100000210304_100012353894 [0,2,0,0,0,0|1,0,0]=3 14872 B13R1.669 NCCOCc1ccc(c(c1)Br)F 34a_100000210304_100011206884 [0,2,0,0,0,0|1,1,0]=4 14873 B13R1.669 NCCOCc1ccc(c(c1)Cl)Br 34a_100000210304_100012353895 [0,2,0,0,0,0|1,1,0]=4 14874 B13R1.669 NCCOCc1ccc(c(c1)Cl)Cl 34a_100000210304_100000184707 [0,2,0,0,0,0|1,0,0]=3 14875 B13R1.669 NCCOCc1ccc(c(c1)Cl)F 34a_100000210304_100011934319 [0,2,0,0,0,0|1,1,0]=4 14876 B13R1.669 NCCOCc1ccc(c(c1)Cl)I 34a_100000210304_100012349665 [0,2,0,0,0,0|1,1,0]=4 14877 B13R1.669 NCCOCc1ccc(c(c1)F)Br 34a_100000210304_100000767054 [0,2,0,0,0,0|1,1,0]=4 14878 B13R1.669 NCCOCc1ccc(c(c1)F)Cl 34a_100000210304_100011519011 [0,2,0,0,0,0|1,0,0]=3 14879 B13R1.669 NCCOCc1ccc(c(c1)F)F 34a_100000210304_100000757363 [0,2,0,0,0,0|1,1,0]=4 14880 B13R1.669 NCCOCc1ccc(c(c1)F)I 34a_100000210304_100010149604 [0,2,0,0,0,0|1,1,0]=4 14881 B13R1.669 NCCOCc1ccc(c(c1)I)Br 34a_100000210304_100010146616 [0,2,0,0,0,0|1,1,0]=4 14882 B13R1.669 NCCOCc1ccc(c(c1)I)F 34a_100000210304_100010188208 [0,2,0,0,0,0|1,1,0]=4 14883 B13R1.669 NCCOCc1cnc(c(c1)Cl)Cl 34a_100000210304_100009843750 [0,2,0,0,0,0|2,0,0]=4 14884 B13R1.669 NCCOCc1cnc(c(c1)I)Cl 34a_100000210304_100011072623 [0,2,0,0,0,0|2,0,0]=4 14885 B13R1.669 Nc1cc(ccc1Br)COCCF 34a_100012347568_100011217306 [0,2,0,0,0,0|1,1,0]=4 14886 B13R1.669 Nc1cc(ccc1Br)COCCO 34a_100012347568_100000211926 [0,2,0,0,0,0|0,1,0]=3 14887 B13R1.669 Nc1cc(ccc1Br)OCCCF 34a_100011999798_100011934791 [0,2,0,0,0,0|1,1,0]=4 14888 B13R1.669 Nc1cc(ccc1Br)OCCCF 7a_100011999798_100011934791 [0,2,0,0,0,0|1,1,0]=4 14889 B13R1.669 Nc1cc(ccc1Br)OCCCO 34a_100011999798_100000230001 [0,2,0,0,0,0|0,1,0]=3 14890 B13R1.669 Nc1cc(ccc1Br)OCCCO 7a_100011999798_100011215043 [0,2,0,0,0,0|0,1,0]=3 14891 B13R1.669 Nc1cc(ccc1Br)SCCCO 62a_100000750456_100011215043 [0,2,0,0,0,0|0,2,0]=4 14892 B13R1.669 Nc1cc(ccc1Br)SCCCO 62a_100011215043_100000750456 [0,2,0,0,0,0|0,2,0]=4 14893 B13R1.669 Nc1cc(ccc1Cl)COCC=O 34a_106256033963_200009817547 [0,2,0,0,0,0|0,0,2]=4 14894 B13R1.669 Nc1cc(ccc1Cl)COCCF 34a_106256033963_100011217306 [0,2,0,0,0,0|1,0,0]=3 14895 B13R1.669 Nc1cc(ccc1Cl)COCCO 34a_106256033963_100000211926 [0,2,0,0,0,0|0,0,0]=2 14896 B13R1.669 Nc1cc(ccc1Cl)OCCCF 34a_100011934297_100011934791 [0,2,0,0,0,0|1,0,0]=3 14897 B13R1.669 Nc1cc(ccc1Cl)OCCCO 34a_100011934297_100000230001 [0,2,0,0,0,0|0,0,0]=2 14898 B13R1.669 Nc1cc(ccc1Cl)SCCCF 62a_100011934791_200000761891 [0,2,0,0,0,0|1,1,0]=4 14899 B13R1.669 Nc1cc(ccc1Cl)SCCCF 62a_200000761891_100011934791 [0,2,0,0,0,0|1,1,0]=4 14900 B13R1.669 Nc1cc(ccc1Cl)SCCCO 62a_100011215043_200000761891 [0,2,0,0,0,0|0,1,0]=3 14901 B13R1.669 Nc1cc(ccc1Cl)SCCCO 62a_200000761891_100011215043 [0,2,0,0,0,0|0,1,0]=3 14902 B13R1.669 Nc1cc(ccc1F)COCCF 34a_102125399562_100011217306 [0,2,0,0,0,0|1,1,0]=4 14903 B13R1.669 Nc1cc(ccc1F)COCCO 34a_102125399562_100000211926 [0,2,0,0,0,0|0,1,0]=3 14904 B13R1.669 Nc1cc(ccc1F)OCCCF 34a_100012017239_100011934791 [0,2,0,0,0,0|1,1,0]=4 14905 B13R1.669 Nc1cc(ccc1F)OCCCF 7a_100012017239_100011934791 [0,2,0,0,0,0|1,1,0]=4 14906 B13R1.669 Nc1cc(ccc1F)OCCCO 34a_100012017239_100000230001 [0,2,0,0,0,0|0,1,0]=3 14907 B13R1.669 Nc1cc(ccc1F)OCCCO 7a_100012017239_100011215043 [0,2,0,0,0,0|0,1,0]=3 14908 B13R1.669 Nc1cc(ccc1F)SCCCO 62a_100000740924_100011215043 [0,2,0,0,0,0|0,2,0]=4 14909 B13R1.669 Nc1cc(ccc1F)SCCCO 62a_100011215043_100000740924 [0,2,0,0,0,0|0,2,0]=4 14910 B13R1.669 Nc1cc(ccc1O)SCCCO 62a_100000752626_100011215043 [0,2,0,0,0,0|1,1,0]=4 14911 B13R1.669 Nc1cc(ccc1O)SCCCO 62a_100011215043_100000752626 [0,2,0,0,0,0|1,1,0]=4 14912 B13R1.669 Nc1cc(cnc1Cl)SCCCO 62a_100009828400_100011215043 [0,2,0,0,0,0|1,1,0]=4 14913 B13R1.669 Nc1cc(cnc1Cl)SCCCO 62a_100011215043_100009828400 [0,2,0,0,0,0|1,1,0]=4 14914 B13R1.669 Nc1ccc(cc1Br)OCCCF 34a_100012001276_100011934791 [0,2,0,0,0,0|2,0,0]=4 14915 B13R1.669 Nc1ccc(cc1Br)OCCCF 7a_100012001276_100011934791 [0,2,0,0,0,0|2,0,0]=4 14916 B13R1.669 Nc1ccc(cc1Br)OCCCO 34a_100012001276_100000230001 [0,2,0,0,0,0|1,0,0]=3 14917 B13R1.669 Nc1ccc(cc1Br)OCCCO 7a_100012001276_100011215043 [0,2,0,0,0,0|1,0,0]=3 14918 B13R1.669 Nc1ccc(cc1Br)SCCCO 62a_100000750455_100011215043 [0,2,0,0,0,0|1,1,0]=4 14919 B13R1.669 Nc1ccc(cc1Br)SCCCO 62a_100011215043_100000750455 [0,2,0,0,0,0|1,1,0]=4 14920 B13R1.669 Nc1ccc(cc1Cl)OCCCF 34a_100011215599_100011934791 [0,2,0,0,0,0|2,0,0]=4 14921 B13R1.669 Nc1ccc(cc1Cl)OCCCF 7a_100011215599_100011934791 [0,2,0,0,0,0|2,0,0]=4 14922 B13R1.669 Nc1ccc(cc1Cl)OCCCO 34a_100011215599_100000230001 [0,2,0,0,0,0|1,0,0]=3 14923 B13R1.669 Nc1ccc(cc1Cl)OCCCO 7a_100011215599_100011215043 [0,2,0,0,0,0|1,0,0]=3 14924 B13R1.669 Nc1ccc(cc1Cl)SCCCO 62a_100011215043_100011218065 [0,2,0,0,0,0|1,1,0]=4 14925 B13R1.669 Nc1ccc(cc1Cl)SCCCO 62a_100011218065_100011215043 [0,2,0,0,0,0|1,1,0]=4 14926 B13R1.669 Nc1ccc(cc1F)COCCF 34a_100011217239_100011217306 [0,2,0,0,0,0|2,0,0]=4 14927 B13R1.669 Nc1ccc(cc1F)COCCO 34a_100011217239_100000211926 [0,2,0,0,0,0|1,0,0]=3 14928 B13R1.669 Nc1ccc(cc1F)OCCCF 34a_100000759473_100011934791 [0,2,0,0,0,0|2,0,0]=4 14929 B13R1.669 Nc1ccc(cc1F)OCCCF 7a_100000759473_100011934791 [0,2,0,0,0,0|2,0,0]=4 14930 B13R1.669 Nc1ccc(cc1F)OCCCO 34a_100000759473_100000230001 [0,2,0,0,0,0|1,0,0]=3 14931 B13R1.669 Nc1ccc(cc1F)OCCCO 7a_100000759473_100011215043 [0,2,0,0,0,0|1,0,0]=3 14932 B13R1.669 Nc1ccc(cc1F)SCCCO 62a_100011215043_100011215594 [0,2,0,0,0,0|1,1,0]=4 14933 B13R1.669 Nc1ccc(cc1F)SCCCO 62a_100011215594_100011215043 [0,2,0,0,0,0|1,1,0]=4 14934 B13R1.669 Nc1ccc(cc1I)OCCCF 34a_100010084370_100011934791 [0,2,0,0,0,0|2,0,0]=4 14935 B13R1.669 Nc1ccc(cc1I)OCCCF 7a_100010084370_100011934791 [0,2,0,0,0,0|2,0,0]=4 14936 B13R1.669 Nc1ccc(cc1I)OCCCO 34a_100010084370_100000230001 [0,2,0,0,0,0|1,0,0]=3 14937 B13R1.669 Nc1ccc(cc1I)OCCCO 7a_100010084370_100011215043 [0,2,0,0,0,0|1,0,0]=3 14938 B13R1.669 Nc1ccc(cc1N)OCCCF 34a_100025771000_100011934791 [0,2,0,0,0,0|2,0,0]=4 14939 B13R1.669 Nc1ccc(cc1N)OCCCO 34a_100025771000_100000230001 [0,2,0,0,0,0|1,0,0]=3 14940 B13R1.669 Nc1ccc(cc1N)SCCCO 62a_100000741789_100011215043 [0,2,0,0,0,0|1,1,0]=4 14941 B13R1.669 Nc1ccc(cc1N)SCCCO 62a_100011215043_100011534411 [0,2,0,0,0,0|1,1,0]=4 14942 B13R1.669 Nc1ccc(cc1O)SCCCO 62a_100000739049_100011215043 [0,2,0,0,0,0|1,1,0]=4 14943 B13R1.669 Nc1ccc(cc1O)SCCCO 62a_100011215043_100000739049 [0,2,0,0,0,0|1,1,0]=4 14944 B13R1.669 Nc1ncc(cc1Br)COCCO 34a_100012343677_100000211926 [0,2,0,0,0,0|2,0,0]=4 14945 B13R1.669 Nc1ncc(cc1Br)COCCO 7a_100012343677_100000211926 [0,2,0,0,0,0|2,0,0]=4 14946 B13R1.669 O=CCOCc1ccc(c(c1)Br)Cl 34a_100012353893_200009817547 [0,2,0,0,0,0|0,0,2]=4 14947 B13R1.669 O=CCOCc1ccc(c(c1)Br)Cl 7a_100012353893_200015260668 [0,2,0,0,0,0|0,0,2]=4 14948 B13R1.669 O=CCOCc1ccc(c(c1)Cl)Cl 34a_100000211588_200009817547 [0,2,0,0,0,0|0,0,2]=4 14949 B13R1.669 O=CCOCc1ccc(c(c1)Cl)Cl 7a_100000211588_200015260668 [0,2,0,0,0,0|0,0,2]=4 14950 B13R1.669 O=CCOCc1ccc(c(c1)F)Cl 34a_100011218299_200009817547 [0,2,0,0,0,0|0,0,2]=4 14951 B13R1.669 O=CCOCc1ccc(c(c1)F)Cl 7a_100011218299_200015260668 [0,2,0,0,0,0|0,0,2]=4 14952 B13R1.669 OCCCNc1ccc(c(c1)Br)Br 2230a_100011306057_100000230001 [0,2,0,0,0,0|1,1,0]=4 14953 B13R1.669 OCCCNc1ccc(c(c1)Br)Br 34a_100011306057_100000230001 [0,2,0,0,0,0|1,1,0]=4 14954 B13R1.669 OCCCNc1ccc(c(c1)Br)Br 7a_100011306057_100011215043 [0,2,0,0,0,0|1,1,0]=4 14955 B13R1.669 OCCCNc1ccc(c(c1)Br)Cl 2230a_100000686031_100000230001 [0,2,0,0,0,0|1,0,0]=3 14956 B13R1.669 OCCCNc1ccc(c(c1)Br)Cl 34a_100000686031_100000230001 [0,2,0,0,0,0|1,0,0]=3 14957 B13R1.669 OCCCNc1ccc(c(c1)Br)F 2230a_100000760356_100000230001 [0,2,0,0,0,0|1,1,0]=4 14958 B13R1.669 OCCCNc1ccc(c(c1)Br)F 34a_100000760356_100000230001 [0,2,0,0,0,0|1,1,0]=4 14959 B13R1.669 OCCCNc1ccc(c(c1)Br)F 7a_100000760356_100011215043 [0,2,0,0,0,0|1,1,0]=4 14960 B13R1.669 OCCCNc1ccc(c(c1)Br)I 34a_100000750458_100000230001 [0,2,0,0,0,0|1,1,0]=4 14961 B13R1.669 OCCCNc1ccc(c(c1)Br)O 34a_100011534360_100000230001 [0,2,0,0,0,0|2,0,0]=4 14962 B13R1.669 OCCCNc1ccc(c(c1)Cl)Br 2230a_100000687081_100000230001 [0,2,0,0,0,0|1,1,0]=4 14963 B13R1.669 OCCCNc1ccc(c(c1)Cl)Br 34a_100000687081_100000230001 [0,2,0,0,0,0|1,1,0]=4 14964 B13R1.669 OCCCNc1ccc(c(c1)Cl)Br 7a_100000687081_100011215043 [0,2,0,0,0,0|1,1,0]=4 14965 B13R1.669 OCCCNc1ccc(c(c1)Cl)Cl 2230a_100000184108_100000230001 [0,2,0,0,0,0|1,0,0]=3 14966 B13R1.669 OCCCNc1ccc(c(c1)Cl)Cl 34a_100000184108_100000230001 [0,2,0,0,0,0|1,0,0]=3 14967 B13R1.669 OCCCNc1ccc(c(c1)Cl)F 2230a_100000211060_100000230001 [0,2,0,0,0,0|1,1,0]=4 14968 B13R1.669 OCCCNc1ccc(c(c1)Cl)F 34a_100000211060_100000230001 [0,2,0,0,0,0|1,1,0]=4 14969 B13R1.669 OCCCNc1ccc(c(c1)Cl)F 7a_100000211060_100011215043 [0,2,0,0,0,0|1,1,0]=4 14970 B13R1.669 OCCCNc1ccc(c(c1)Cl)I 34a_100000761885_100000230001 [0,2,0,0,0,0|1,1,0]=4 14971 B13R1.669 OCCCNc1ccc(c(c1)Cl)O 34a_100000744943_100000230001 [0,2,0,0,0,0|2,0,0]=4 14972 B13R1.669 OCCCNc1ccc(c(c1)F)Br 2230a_100000759894_100000230001 [0,2,0,0,0,0|1,1,0]=4 14973 B13R1.669 OCCCNc1ccc(c(c1)F)Br 34a_100000759894_100000230001 [0,2,0,0,0,0|1,1,0]=4 14974 B13R1.669 OCCCNc1ccc(c(c1)F)Br 7a_100000759894_100011215043 [0,2,0,0,0,0|1,1,0]=4 14975 B13R1.669 OCCCNc1ccc(c(c1)F)Cl 2230a_100000739366_100000230001 [0,2,0,0,0,0|1,0,0]=3 14976 B13R1.669 OCCCNc1ccc(c(c1)F)Cl 34a_100000739366_100000230001 [0,2,0,0,0,0|1,0,0]=3 14977 B13R1.669 OCCCNc1ccc(c(c1)F)Cl 7a_100000739366_100011215043 [0,2,0,0,0,0|1,0,0]=3 14978 B13R1.669 OCCCNc1ccc(c(c1)F)F 2230a_100000210724_100000230001 [0,2,0,0,0,0|1,1,0]=4 14979 B13R1.669 OCCCNc1ccc(c(c1)F)F 34a_100000210724_100000230001 [0,2,0,0,0,0|1,1,0]=4 14980 B13R1.669 OCCCNc1ccc(c(c1)F)F 7a_100000210724_100011215043 [0,2,0,0,0,0|1,1,0]=4 14981 B13R1.669 OCCCNc1ccc(c(c1)F)I 34a_100011356925_100000230001 [0,2,0,0,0,0|1,1,0]=4 14982 B13R1.669 OCCCNc1ccc(c(c1)F)I 7a_100011356925_100011215043 [0,2,0,0,0,0|1,1,0]=4 14983 B13R1.669 OCCCNc1ccc(c(c1)F)O 34a_100011220035_100000230001 [0,2,0,0,0,0|2,0,0]=4 14984 B13R1.669 OCCCNc1ccc(c(c1)F)O 7a_100011220035_100011215043 [0,2,0,0,0,0|2,0,0]=4 14985 B13R1.669 OCCCNc1ccc(c(c1)I)Br 34a_100000750459_100000230001 [0,2,0,0,0,0|1,1,0]=4 14986 B13R1.669 OCCCNc1ccc(c(c1)I)Cl 34a_100012360549_100000230001 [0,2,0,0,0,0|1,0,0]=3 14987 B13R1.669 OCCCNc1ccc(c(c1)I)F 34a_114828291077_100000230001 [0,2,0,0,0,0|1,1,0]=4 14988 B13R1.669 OCCCNc1ccc(c(c1)I)F 7a_114828291077_100011215043 [0,2,0,0,0,0|1,1,0]=4 14989 B13R1.669 OCCCNc1ccc(c(c1)O)Cl 34a_100011934209_100000230001 [0,2,0,0,0,0|1,0,0]=3 14990 B13R1.669 OCCCNc1ccc(c(c1)O)F 34a_100012017398_100000230001 [0,2,0,0,0,0|1,1,0]=4 14991 B13R1.669 OCCCNc1ccc(c(c1)O)F 7a_100012017398_100011215043 [0,2,0,0,0,0|1,1,0]=4 14992 B13R1.669 OCCCNc1ccc(c(c1)O)O 34a_100102946323_100000230001 [0,2,0,0,0,0|2,0,0]=4 14993 B13R1.669 OCCCOc1cc(c(cn1)Br)Cl 34a_100010369989_100000230001 [0,2,0,0,0,0|1,1,0]=4 14994 B13R1.669 OCCCOc1cc(c(cn1)Cl)Cl 34a_200000099200_100000230001 [0,2,0,0,0,0|1,0,0]=3 14995 B13R1.669 OCCCOc1ccc(c(c1)Br)Cl 34a_100011933957_100000230001 [0,2,0,0,0,0|0,0,0]=2 14996 B13R1.669 OCCCOc1ccc(c(c1)Br)Cl 7a_100011933957_100011215043 [0,2,0,0,0,0|0,0,0]=2 14997 B13R1.669 OCCCOc1ccc(c(c1)Br)F 34a_100000693481_100000230001 [0,2,0,0,0,0|0,1,0]=3 14998 B13R1.669 OCCCOc1ccc(c(c1)Br)F 7a_100000693481_100011215043 [0,2,0,0,0,0|0,1,0]=3 14999 B13R1.669 OCCCOc1ccc(c(c1)Br)I 34a_100000701344_100000230001 [0,2,0,0,0,0|0,1,0]=3 15000 B13R1.669 OCCCOc1ccc(c(c1)Br)I 7a_100000701344_100011215043 [0,2,0,0,0,0|0,1,0]=3 15001 B13R1.669 OCCCOc1ccc(c(c1)Cl)Br 34a_100011215161_100000230001 [0,2,0,0,0,0|0,1,0]=3 15002 B13R1.669 OCCCOc1ccc(c(c1)Cl)Br 7a_100011215161_100011215043 [0,2,0,0,0,0|0,1,0]=3 15003 B13R1.669 OCCCOc1ccc(c(c1)Cl)Cl 34a_100000211054_100000230001 [0,2,0,0,0,0|0,0,0]=2 15004 B13R1.669 OCCCOc1ccc(c(c1)Cl)Cl 7a_100000211054_100011215043 [0,2,0,0,0,0|0,0,0]=2 15005 B13R1.669 OCCCOc1ccc(c(c1)Cl)F 34a_100000211030_100000230001 [0,2,0,0,0,0|0,1,0]=3 15006 B13R1.669 OCCCOc1ccc(c(c1)Cl)F 7a_100000211030_100011215043 [0,2,0,0,0,0|0,1,0]=3 15007 B13R1.669 OCCCOc1ccc(c(c1)Cl)I 34a_100000047559_100000230001 [0,2,0,0,0,0|0,1,0]=3 15008 B13R1.669 OCCCOc1ccc(c(c1)Cl)I 7a_100000047559_100011215043 [0,2,0,0,0,0|0,1,0]=3 15009 B13R1.669 OCCCOc1ccc(c(c1)F)Br 34a_100000755031_100000230001 [0,2,0,0,0,0|0,1,0]=3 15010 B13R1.669 OCCCOc1ccc(c(c1)F)Br 7a_100000755031_100011215043 [0,2,0,0,0,0|0,1,0]=3 15011 B13R1.669 OCCCOc1ccc(c(c1)F)Cl 34a_100000691581_100000230001 [0,2,0,0,0,0|0,0,0]=2 15012 B13R1.669 OCCCOc1ccc(c(c1)F)Cl 7a_100000691581_100011215043 [0,2,0,0,0,0|0,0,0]=2 15013 B13R1.669 OCCCOc1ccc(c(c1)F)F 34a_100000181275_100000230001 [0,2,0,0,0,0|0,1,0]=3 15014 B13R1.669 OCCCOc1ccc(c(c1)F)F 7a_100000181275_100011215043 [0,2,0,0,0,0|0,1,0]=3 15015 B13R1.669 OCCCOc1ccc(c(c1)F)I 34a_100009990212_100000230001 [0,2,0,0,0,0|0,1,0]=3 15016 B13R1.669 OCCCOc1ccc(c(c1)F)I 7a_100009990212_100011215043 [0,2,0,0,0,0|0,1,0]=3 15017 B13R1.669 OCCCOc1ccc(c(c1)I)Br 34a_100012339312_100000230001 [0,2,0,0,0,0|0,1,0]=3 15018 B13R1.669 OCCCOc1ccc(c(c1)I)Br 7a_100012339312_100011215043 [0,2,0,0,0,0|0,1,0]=3 15019 B13R1.669 OCCCOc1ccc(c(c1)I)Cl 34a_100000049588_100000230001 [0,2,0,0,0,0|0,0,0]=2 15020 B13R1.669 OCCCOc1ccc(c(c1)I)Cl 7a_100000049588_100011215043 [0,2,0,0,0,0|0,0,0]=2 15021 B13R1.669 OCCCOc1ccc(c(n1)F)Br 34a_100009879308_100000230001 [0,2,0,0,0,0|1,1,0]=4 15022 B13R1.669 OCCCOc1cnc(c(c1)Br)Cl 34a_100012356455_100000230001 [0,2,0,0,0,0|1,0,0]=3 15023 B13R1.669 OCCCOc1cnc(c(c1)Br)Cl 7a_100012356455_100011215043 [0,2,0,0,0,0|1,0,0]=3 15024 B13R1.669 OCCCOc1cnc(c(c1)Br)F 34a_100009817267_100000230001 [0,2,0,0,0,0|1,1,0]=4 15025 B13R1.669 OCCCOc1cnc(c(c1)Br)F 7a_100009817267_100011215043 [0,2,0,0,0,0|1,1,0]=4 15026 B13R1.669 OCCCOc1cnc(c(c1)Cl)Br 34a_100010209684_100000230001 [0,2,0,0,0,0|1,1,0]=4 15027 B13R1.669 OCCCOc1cnc(c(c1)Cl)Br 7a_100010209684_100011215043 [0,2,0,0,0,0|1,1,0]=4 15028 B13R1.669 OCCCOc1cnc(c(c1)Cl)Cl 34a_100000094354_100000230001 [0,2,0,0,0,0|1,0,0]=3 15029 B13R1.669 OCCCOc1cnc(c(c1)Cl)Cl 7a_100000094354_100011215043 [0,2,0,0,0,0|1,0,0]=3 15030 B13R1.669 OCCCOc1cnc(c(c1)Cl)F 34a_100000087088_100000230001 [0,2,0,0,0,0|1,1,0]=4 15031 B13R1.669 OCCCOc1cnc(c(c1)Cl)F 7a_100000087088_100011215043 [0,2,0,0,0,0|1,1,0]=4 15032 B13R1.669 OCCCOc1cnc(c(c1)F)Cl 34a_100000063512_100000230001 [0,2,0,0,0,0|1,0,0]=3 15033 B13R1.669 OCCCOc1cnc(c(c1)F)Cl 7a_100000063512_100011215043 [0,2,0,0,0,0|1,0,0]=3 15034 B13R1.669 OCCCSc1ccc(c(c1)Br)Br 62a_100011215043_100012356285 [0,2,0,0,0,0|0,2,0]=4 15035 B13R1.669 OCCCSc1ccc(c(c1)Br)Br 62a_100012356285_100011215043 [0,2,0,0,0,0|0,2,0]=4 15036 B13R1.669 OCCCSc1ccc(c(c1)Br)Cl 62a_100011215043_100012353702 [0,2,0,0,0,0|0,1,0]=3 15037 B13R1.669 OCCCSc1ccc(c(c1)Br)Cl 62a_100012353702_100011215043 [0,2,0,0,0,0|0,1,0]=3 15038 B13R1.669 OCCCSc1ccc(c(c1)Br)F 62a_100011215043_100012047266 [0,2,0,0,0,0|0,2,0]=4 15039 B13R1.669 OCCCSc1ccc(c(c1)Br)F 62a_100012047266_100011215043 [0,2,0,0,0,0|0,2,0]=4 15040 B13R1.669 OCCCSc1ccc(c(c1)Br)O 62a_100011215043_100012361655 [0,2,0,0,0,0|1,1,0]=4 15041 B13R1.669 OCCCSc1ccc(c(c1)Br)O 62a_100012361655_100011215043 [0,2,0,0,0,0|1,1,0]=4 15042 B13R1.669 OCCCSc1ccc(c(c1)Cl)Br 62a_100011215043_100012047281 [0,2,0,0,0,0|0,2,0]=4 15043 B13R1.669 OCCCSc1ccc(c(c1)Cl)Br 62a_100012047281_100011215043 [0,2,0,0,0,0|0,2,0]=4 15044 B13R1.669 OCCCSc1ccc(c(c1)Cl)Cl 62a_100011214914_100011215043 [0,2,0,0,0,0|0,1,0]=3 15045 B13R1.669 OCCCSc1ccc(c(c1)Cl)Cl 62a_100011215043_100011214914 [0,2,0,0,0,0|0,1,0]=3 15046 B13R1.669 OCCCSc1ccc(c(c1)Cl)F 62a_100011215043_100011215976 [0,2,0,0,0,0|0,2,0]=4 15047 B13R1.669 OCCCSc1ccc(c(c1)Cl)F 62a_100011215976_100011215043 [0,2,0,0,0,0|0,2,0]=4 15048 B13R1.669 OCCCSc1ccc(c(c1)Cl)O 62a_100011215043_100012360047 [0,2,0,0,0,0|1,1,0]=4 15049 B13R1.669 OCCCSc1ccc(c(c1)Cl)O 62a_100012360047_100011215043 [0,2,0,0,0,0|1,1,0]=4 15050 B13R1.669 OCCCSc1ccc(c(c1)F)Br 62a_100000685389_100011215043 [0,2,0,0,0,0|0,2,0]=4 15051 B13R1.669 OCCCSc1ccc(c(c1)F)Br 62a_100011215043_100000685389 [0,2,0,0,0,0|0,2,0]=4 15052 B13R1.669 OCCCSc1ccc(c(c1)F)Cl 62a_100011215043_100011216805 [0,2,0,0,0,0|0,1,0]=3 15053 B13R1.669 OCCCSc1ccc(c(c1)F)Cl 62a_100011216805_100011215043 [0,2,0,0,0,0|0,1,0]=3 15054 B13R1.669 OCCCSc1ccc(c(c1)F)F 62a_100000703953_100011215043 [0,2,0,0,0,0|0,2,0]=4 15055 B13R1.669 OCCCSc1ccc(c(c1)F)F 62a_100011215043_100000703953 [0,2,0,0,0,0|0,2,0]=4 15056 B13R1.669 OCCCSc1ccc(c(c1)F)O 62a_100000185481_100011215043 [0,2,0,0,0,0|1,1,0]=4 15057 B13R1.669 OCCCSc1ccc(c(c1)F)O 62a_100011215043_100000185481 [0,2,0,0,0,0|1,1,0]=4 15058 B13R1.669 OCCCSc1ccc(c(c1)O)Br 62a_100011215043_100012356990 [0,2,0,0,0,0|0,2,0]=4 15059 B13R1.669 OCCCSc1ccc(c(c1)O)Br 62a_100012356990_100011215043 [0,2,0,0,0,0|0,2,0]=4 15060 B13R1.669 OCCCSc1ccc(c(c1)O)Cl 62a_100011215043_100011356854 [0,2,0,0,0,0|0,1,0]=3 15061 B13R1.669 OCCCSc1ccc(c(c1)O)Cl 62a_100011356854_100011215043 [0,2,0,0,0,0|0,1,0]=3 15062 B13R1.669 OCCCSc1ccc(c(c1)O)F 62a_100000686035_100011215043 [0,2,0,0,0,0|0,2,0]=4 15063 B13R1.669 OCCCSc1ccc(c(c1)O)F 62a_100011215043_100000686035 [0,2,0,0,0,0|0,2,0]=4 15064 B13R1.669 OCCCSc1ccc(c(c1)O)O 62a_100011215043_100009813601 [0,2,0,0,0,0|1,1,0]=4 15065 B13R1.669 OCCCSc1cnc(c(c1)Br)Cl 62a_100010172733_100011215043 [0,2,0,0,0,0|1,1,0]=4 15066 B13R1.669 OCCCSc1cnc(c(c1)Br)Cl 62a_100011215043_100010172733 [0,2,0,0,0,0|1,1,0]=4 15067 B13R1.669 OCCNCc1ccc(c(c1)Br)Br 207a_100000210304_100011215943 [0,2,0,0,0,0|1,1,0]=4 15068 B13R1.669 OCCNCc1ccc(c(c1)Br)Br 2230a_100012351559_100000211926 [0,2,0,0,0,0|1,1,0]=4 15069 B13R1.669 OCCNCc1ccc(c(c1)Br)Br 2230a_100016997473_100012353900 [0,2,0,0,0,0|1,1,0]=4 15070 B13R1.669 OCCNCc1ccc(c(c1)Br)Br 270004a_100000210304_100011215943 [0,2,0,0,0,0|1,1,0]=4 15071 B13R1.669 OCCNCc1ccc(c(c1)Br)Br 34a_100012351559_100000211926 [0,2,0,0,0,0|1,1,0]=4 15072 B13R1.669 OCCNCc1ccc(c(c1)Br)Br 34a_100016990907_100012353900 [0,2,0,0,0,0|1,1,0]=4 15073 B13R1.669 OCCNCc1ccc(c(c1)Br)Cl 207a_100000210304_100000693810 [0,2,0,0,0,0|1,0,0]=3 15074 B13R1.669 OCCNCc1ccc(c(c1)Br)Cl 2230a_100012349490_100000211926 [0,2,0,0,0,0|1,0,0]=3 15075 B13R1.669 OCCNCc1ccc(c(c1)Br)Cl 2230a_100016997473_100012353894 [0,2,0,0,0,0|1,0,0]=3 15076 B13R1.669 OCCNCc1ccc(c(c1)Br)Cl 270004a_100000210304_100000693810 [0,2,0,0,0,0|1,0,0]=3 15077 B13R1.669 OCCNCc1ccc(c(c1)Br)Cl 34a_100012349490_100000211926 [0,2,0,0,0,0|1,0,0]=3 15078 B13R1.669 OCCNCc1ccc(c(c1)Br)Cl 34a_100016990907_100012353894 [0,2,0,0,0,0|1,0,0]=3 15079 B13R1.669 OCCNCc1ccc(c(c1)Br)F 207a_100000210304_100000211747 [0,2,0,0,0,0|1,1,0]=4 15080 B13R1.669 OCCNCc1ccc(c(c1)Br)F 2230a_100015193890_100000211926 [0,2,0,0,0,0|1,1,0]=4 15081 B13R1.669 OCCNCc1ccc(c(c1)Br)F 2230a_100016997473_100011206884 [0,2,0,0,0,0|1,1,0]=4 15082 B13R1.669 OCCNCc1ccc(c(c1)Br)F 270004a_100000210304_100000211747 [0,2,0,0,0,0|1,1,0]=4 15083 B13R1.669 OCCNCc1ccc(c(c1)Br)F 34a_100015193890_100000211926 [0,2,0,0,0,0|1,1,0]=4 15084 B13R1.669 OCCNCc1ccc(c(c1)Br)F 34a_100016990907_100011206884 [0,2,0,0,0,0|1,1,0]=4 15085 B13R1.669 OCCNCc1ccc(c(c1)Cl)Br 207a_100000210304_100000690054 [0,2,0,0,0,0|1,1,0]=4 15086 B13R1.669 OCCNCc1ccc(c(c1)Cl)Br 2230a_100012362553_100000211926 [0,2,0,0,0,0|1,1,0]=4 15087 B13R1.669 OCCNCc1ccc(c(c1)Cl)Br 2230a_100016997473_100012353895 [0,2,0,0,0,0|1,1,0]=4 15088 B13R1.669 OCCNCc1ccc(c(c1)Cl)Br 270004a_100000210304_100000690054 [0,2,0,0,0,0|1,1,0]=4 15089 B13R1.669 OCCNCc1ccc(c(c1)Cl)Br 34a_100012362553_100000211926 [0,2,0,0,0,0|1,1,0]=4 15090 B13R1.669 OCCNCc1ccc(c(c1)Cl)Br 34a_100016990907_100012353895 [0,2,0,0,0,0|1,1,0]=4 15091 B13R1.669 OCCNCc1ccc(c(c1)Cl)Cl 207a_100000210304_100000188533 [0,2,0,0,0,0|1,0,0]=3 15092 B13R1.669 OCCNCc1ccc(c(c1)Cl)Cl 2230a_100000174881_100000211926 [0,2,0,0,0,0|1,0,0]=3 15093 B13R1.669 OCCNCc1ccc(c(c1)Cl)Cl 2230a_100016997473_100000184707 [0,2,0,0,0,0|1,0,0]=3 15094 B13R1.669 OCCNCc1ccc(c(c1)Cl)Cl 270004a_100000210304_100000188533 [0,2,0,0,0,0|1,0,0]=3 15095 B13R1.669 OCCNCc1ccc(c(c1)Cl)Cl 34a_100000174881_100000211926 [0,2,0,0,0,0|1,0,0]=3 15096 B13R1.669 OCCNCc1ccc(c(c1)Cl)Cl 34a_100016990907_100000184707 [0,2,0,0,0,0|1,0,0]=3 15097 B13R1.669 OCCNCc1ccc(c(c1)Cl)F 207a_100000210304_100000742290 [0,2,0,0,0,0|1,1,0]=4 15098 B13R1.669 OCCNCc1ccc(c(c1)Cl)F 2230a_100000749334_100000211926 [0,2,0,0,0,0|1,1,0]=4 15099 B13R1.669 OCCNCc1ccc(c(c1)Cl)F 2230a_100016997473_100000717365 [0,2,0,0,0,0|1,1,0]=4 15100 B13R1.669 OCCNCc1ccc(c(c1)Cl)F 270004a_100000210304_100000742290 [0,2,0,0,0,0|1,1,0]=4 15101 B13R1.669 OCCNCc1ccc(c(c1)Cl)F 34a_100000749334_100000211926 [0,2,0,0,0,0|1,1,0]=4 15102 B13R1.669 OCCNCc1ccc(c(c1)Cl)F 34a_100016990907_100011934319 [0,2,0,0,0,0|1,1,0]=4 15103 B13R1.669 OCCNCc1ccc(c(c1)Cl)I 2230a_100016997473_100012349665 [0,2,0,0,0,0|1,1,0]=4 15104 B13R1.669 OCCNCc1ccc(c(c1)Cl)I 34a_100016990907_100012349665 [0,2,0,0,0,0|1,1,0]=4 15105 B13R1.669 OCCNCc1ccc(c(c1)F)Br 207a_100000210304_100000686674 [0,2,0,0,0,0|1,1,0]=4 15106 B13R1.669 OCCNCc1ccc(c(c1)F)Br 2230a_100000755036_100000211926 [0,2,0,0,0,0|1,1,0]=4 15107 B13R1.669 OCCNCc1ccc(c(c1)F)Br 2230a_100016997473_100000767054 [0,2,0,0,0,0|1,1,0]=4 15108 B13R1.669 OCCNCc1ccc(c(c1)F)Br 270004a_100000210304_100000686674 [0,2,0,0,0,0|1,1,0]=4 15109 B13R1.669 OCCNCc1ccc(c(c1)F)Br 34a_100000755036_100000211926 [0,2,0,0,0,0|1,1,0]=4 15110 B13R1.669 OCCNCc1ccc(c(c1)F)Br 34a_100016990907_100000767054 [0,2,0,0,0,0|1,1,0]=4 15111 B13R1.669 OCCNCc1ccc(c(c1)F)Cl 207a_100000210304_100000745630 [0,2,0,0,0,0|1,0,0]=3 15112 B13R1.669 OCCNCc1ccc(c(c1)F)Cl 2230a_100011219866_100000211926 [0,2,0,0,0,0|1,0,0]=3 15113 B13R1.669 OCCNCc1ccc(c(c1)F)Cl 2230a_100016997473_100000716492 [0,2,0,0,0,0|1,0,0]=3 15114 B13R1.669 OCCNCc1ccc(c(c1)F)Cl 270004a_100000210304_100000745630 [0,2,0,0,0,0|1,0,0]=3 15115 B13R1.669 OCCNCc1ccc(c(c1)F)Cl 34a_100011219866_100000211926 [0,2,0,0,0,0|1,0,0]=3 15116 B13R1.669 OCCNCc1ccc(c(c1)F)Cl 34a_100016990907_100011519011 [0,2,0,0,0,0|1,0,0]=3 15117 B13R1.669 OCCNCc1ccc(c(c1)F)F 207a_100000210304_100000211062 [0,2,0,0,0,0|1,1,0]=4 15118 B13R1.669 OCCNCc1ccc(c(c1)F)F 2230a_100000737897_100000211926 [0,2,0,0,0,0|1,1,0]=4 15119 B13R1.669 OCCNCc1ccc(c(c1)F)F 2230a_100016997473_100000757363 [0,2,0,0,0,0|1,1,0]=4 15120 B13R1.669 OCCNCc1ccc(c(c1)F)F 270004a_100000210304_100000211062 [0,2,0,0,0,0|1,1,0]=4 15121 B13R1.669 OCCNCc1ccc(c(c1)F)F 34a_100000737897_100000211926 [0,2,0,0,0,0|1,1,0]=4 15122 B13R1.669 OCCNCc1ccc(c(c1)F)F 34a_100016990907_100000757363 [0,2,0,0,0,0|1,1,0]=4 15123 B13R1.669 OCCNCc1ccc(c(c1)F)I 207a_100000210304_100000050832 [0,2,0,0,0,0|1,1,0]=4 15124 B13R1.669 OCCNCc1ccc(c(c1)F)I 2230a_100016997473_100010149604 [0,2,0,0,0,0|1,1,0]=4 15125 B13R1.669 OCCNCc1ccc(c(c1)F)I 270004a_100000210304_100000050832 [0,2,0,0,0,0|1,1,0]=4 15126 B13R1.669 OCCNCc1ccc(c(c1)F)I 34a_100016990907_100010149604 [0,2,0,0,0,0|1,1,0]=4 15127 B13R1.669 OCCNCc1ccc(c(c1)F)O 34a_100000758358_100000211926 [0,2,0,0,0,0|2,0,0]=4 15128 B13R1.669 OCCNCc1ccc(c(c1)I)Br 207a_100000210304_100010146563 [0,2,0,0,0,0|1,1,0]=4 15129 B13R1.669 OCCNCc1ccc(c(c1)I)Br 2230a_100016997473_100010146616 [0,2,0,0,0,0|1,1,0]=4 15130 B13R1.669 OCCNCc1ccc(c(c1)I)Br 270004a_100000210304_100010146563 [0,2,0,0,0,0|1,1,0]=4 15131 B13R1.669 OCCNCc1ccc(c(c1)I)Br 34a_100016990907_100010146616 [0,2,0,0,0,0|1,1,0]=4 15132 B13R1.669 OCCNCc1ccc(c(c1)I)Cl 207a_100000210304_100010209939 [0,2,0,0,0,0|1,0,0]=3 15133 B13R1.669 OCCNCc1ccc(c(c1)I)Cl 270004a_100000210304_100010209939 [0,2,0,0,0,0|1,0,0]=3 15134 B13R1.669 OCCNCc1ccc(c(c1)I)F 207a_100000210304_100010188209 [0,2,0,0,0,0|1,1,0]=4 15135 B13R1.669 OCCNCc1ccc(c(c1)I)F 2230a_100016997473_100010188208 [0,2,0,0,0,0|1,1,0]=4 15136 B13R1.669 OCCNCc1ccc(c(c1)I)F 270004a_100000210304_100010188209 [0,2,0,0,0,0|1,1,0]=4 15137 B13R1.669 OCCNCc1ccc(c(c1)I)F 34a_100016990907_100010188208 [0,2,0,0,0,0|1,1,0]=4 15138 B13R1.669 OCCNCc1ccc(c(c1)O)Cl 34a_100020636435_100000211926 [0,2,0,0,0,0|1,0,0]=3 15139 B13R1.669 OCCNCc1ccc(c(c1)O)F 34a_100160469508_100000211926 [0,2,0,0,0,0|1,1,0]=4 15140 B13R1.669 OCCNCc1ccc(c(c1)O)O 34a_100000010075_100000211926 [0,2,0,0,0,0|2,0,0]=4 15141 B13R1.669 OCCNCc1ccc(c(n1)Cl)Cl 2230a_100009887527_100000211926 [0,2,0,0,0,0|2,0,0]=4 15142 B13R1.669 OCCNCc1ccc(c(n1)Cl)Cl 34a_100009887527_100000211926 [0,2,0,0,0,0|2,0,0]=4 15143 B13R1.669 OCCNCc1cnc(c(c1)Br)Cl 207a_100000210304_100010244460 [0,2,0,0,0,0|2,0,0]=4 15144 B13R1.669 OCCNCc1cnc(c(c1)Cl)Cl 2230a_100016997473_100009843750 [0,2,0,0,0,0|2,0,0]=4 15145 B13R1.669 OCCNCc1cnc(c(c1)Cl)Cl 34a_100016990907_100009843750 [0,2,0,0,0,0|2,0,0]=4 15146 B13R1.669 OCCNCc1cnc(c(c1)F)Cl 270004a_100000210304_100009866847 [0,2,0,0,0,0|2,0,0]=4 15147 B13R1.669 OCCNCc1cnc(c(c1)I)Cl 2230a_100016997473_100011072623 [0,2,0,0,0,0|2,0,0]=4 15148 B13R1.669 OCCNCc1cnc(c(c1)I)Cl 34a_100016990907_100011072623 [0,2,0,0,0,0|2,0,0]=4 15149 B13R1.669 OCCOCc1ccc(c(c1)Br)Cl 34a_100012353893_100000211926 [0,2,0,0,0,0|0,0,0]=2 15150 B13R1.669 OCCOCc1ccc(c(c1)Br)Cl 7a_100012353893_100000211926 [0,2,0,0,0,0|0,0,0]=2 15151 B13R1.669 OCCOCc1ccc(c(c1)Br)F 34a_100000246287_100000211926 [0,2,0,0,0,0|0,1,0]=3 15152 B13R1.669 OCCOCc1ccc(c(c1)Br)F 7a_100000246287_100000211926 [0,2,0,0,0,0|0,1,0]=3 15153 B13R1.669 OCCOCc1ccc(c(c1)Cl)Br 34a_100000709168_100000211926 [0,2,0,0,0,0|0,1,0]=3 15154 B13R1.669 OCCOCc1ccc(c(c1)Cl)Br 7a_100000709168_100000211926 [0,2,0,0,0,0|0,1,0]=3 15155 B13R1.669 OCCOCc1ccc(c(c1)Cl)Cl 34a_100000211588_100000211926 [0,2,0,0,0,0|0,0,0]=2 15156 B13R1.669 OCCOCc1ccc(c(c1)Cl)Cl 7a_100000211588_100000211926 [0,2,0,0,0,0|0,0,0]=2 15157 B13R1.669 OCCOCc1ccc(c(c1)Cl)F 34a_100011217911_100000211926 [0,2,0,0,0,0|0,1,0]=3 15158 B13R1.669 OCCOCc1ccc(c(c1)Cl)F 7a_100011217911_100000211926 [0,2,0,0,0,0|0,1,0]=3 15159 B13R1.669 OCCOCc1ccc(c(c1)Cl)I 34a_100000718186_100000211926 [0,2,0,0,0,0|0,1,0]=3 15160 B13R1.669 OCCOCc1ccc(c(c1)Cl)I 7a_100000718186_100000211926 [0,2,0,0,0,0|0,1,0]=3 15161 B13R1.669 OCCOCc1ccc(c(c1)F)Br 34a_100011533735_100000211926 [0,2,0,0,0,0|0,1,0]=3 15162 B13R1.669 OCCOCc1ccc(c(c1)F)Br 7a_100011533735_100000211926 [0,2,0,0,0,0|0,1,0]=3 15163 B13R1.669 OCCOCc1ccc(c(c1)F)Cl 34a_100011218299_100000211926 [0,2,0,0,0,0|0,0,0]=2 15164 B13R1.669 OCCOCc1ccc(c(c1)F)Cl 7a_100011218299_100000211926 [0,2,0,0,0,0|0,0,0]=2 15165 B13R1.669 OCCOCc1ccc(c(c1)F)F 34a_100011215442_100000211926 [0,2,0,0,0,0|0,1,0]=3 15166 B13R1.669 OCCOCc1ccc(c(c1)F)F 7a_100011215442_100000211926 [0,2,0,0,0,0|0,1,0]=3 15167 B13R1.669 OCCOCc1ccc(c(c1)F)I 34a_100010149597_100000211926 [0,2,0,0,0,0|0,1,0]=3 15168 B13R1.669 OCCOCc1ccc(c(c1)F)I 7a_100010149597_100000211926 [0,2,0,0,0,0|0,1,0]=3 15169 B13R1.669 OCCOCc1ccc(c(c1)I)F 34a_100000049585_100000211926 [0,2,0,0,0,0|0,1,0]=3 15170 B13R1.669 OCCOCc1ccc(c(c1)I)F 7a_100000049585_100000211926 [0,2,0,0,0,0|0,1,0]=3 15171 B13R1.669 OCCOCc1ccc(c(n1)Cl)Br 34a_100010065236_100000211926 [0,2,0,0,0,0|1,1,0]=4 15172 B13R1.669 OCCOCc1cnc(c(c1)Br)Cl 34a_100010201731_100000211926 [0,2,0,0,0,0|1,0,0]=3 15173 B13R1.669 OCCOCc1cnc(c(c1)Br)Cl 7a_100010201731_100000211926 [0,2,0,0,0,0|1,0,0]=3 15174 B13R1.669 OCCOCc1cnc(c(c1)Cl)Cl 34a_100000042784_100000211926 [0,2,0,0,0,0|1,0,0]=3 15175 B13R1.669 OCCOCc1cnc(c(c1)Cl)Cl 7a_100000042784_100000211926 [0,2,0,0,0,0|1,0,0]=3 15176 B13R1.669 OCCOCc1cnc(c(c1)F)Br 34a_100010065243_100000211926 [0,2,0,0,0,0|1,1,0]=4 15177 B13R1.669 OCCOCc1cnc(c(c1)F)Br 7a_100010065243_100000211926 [0,2,0,0,0,0|1,1,0]=4 15178 B13R1.669 OCCOCc1cnc(c(c1)I)Cl 34a_200015217190_100000211926 [0,2,0,0,0,0|1,0,0]=3 15179 B13R1.669 OCCOCc1cnc(c(c1)I)Cl 7a_200015217190_100000211926 [0,2,0,0,0,0|1,0,0]=3 15180 B13R1.669 OCCSCc1ccc(c(c1)Br)Br 62a_100000211926_100012353900 [0,2,0,0,0,0|0,2,0]=4 15181 B13R1.669 OCCSCc1ccc(c(c1)Br)Br 62a_100012353900_100000211926 [0,2,0,0,0,0|0,2,0]=4 15182 B13R1.669 OCCSCc1ccc(c(c1)Br)Cl 62a_100000211926_100012353894 [0,2,0,0,0,0|0,1,0]=3 15183 B13R1.669 OCCSCc1ccc(c(c1)Br)Cl 62a_100012353894_100000211926 [0,2,0,0,0,0|0,1,0]=3 15184 B13R1.669 OCCSCc1ccc(c(c1)Br)F 62a_100000211926_100011206884 [0,2,0,0,0,0|0,2,0]=4 15185 B13R1.669 OCCSCc1ccc(c(c1)Br)F 62a_100011206884_100000211926 [0,2,0,0,0,0|0,2,0]=4 15186 B13R1.669 OCCSCc1ccc(c(c1)Cl)Br 62a_100000211926_100012353895 [0,2,0,0,0,0|0,2,0]=4 15187 B13R1.669 OCCSCc1ccc(c(c1)Cl)Br 62a_100012353895_100000211926 [0,2,0,0,0,0|0,2,0]=4 15188 B13R1.669 OCCSCc1ccc(c(c1)Cl)Cl 62a_100000184707_100000211926 [0,2,0,0,0,0|0,1,0]=3 15189 B13R1.669 OCCSCc1ccc(c(c1)Cl)Cl 62a_100000211926_100000184707 [0,2,0,0,0,0|0,1,0]=3 15190 B13R1.669 OCCSCc1ccc(c(c1)Cl)F 62a_100000211926_100011934319 [0,2,0,0,0,0|0,2,0]=4 15191 B13R1.669 OCCSCc1ccc(c(c1)Cl)F 62a_100000717365_100000211926 [0,2,0,0,0,0|0,2,0]=4 15192 B13R1.669 OCCSCc1ccc(c(c1)Cl)I 62a_100000211926_100012349665 [0,2,0,0,0,0|0,2,0]=4 15193 B13R1.669 OCCSCc1ccc(c(c1)Cl)I 62a_100012349665_100000211926 [0,2,0,0,0,0|0,2,0]=4 15194 B13R1.669 OCCSCc1ccc(c(c1)F)Br 62a_100000211926_100000767054 [0,2,0,0,0,0|0,2,0]=4 15195 B13R1.669 OCCSCc1ccc(c(c1)F)Br 62a_100000767054_100000211926 [0,2,0,0,0,0|0,2,0]=4 15196 B13R1.669 OCCSCc1ccc(c(c1)F)Cl 62a_100000211926_100000716492 [0,2,0,0,0,0|0,1,0]=3 15197 B13R1.669 OCCSCc1ccc(c(c1)F)Cl 62a_100000716492_100000211926 [0,2,0,0,0,0|0,1,0]=3 15198 B13R1.669 OCCSCc1ccc(c(c1)F)F 62a_100000211926_100000757363 [0,2,0,0,0,0|0,2,0]=4 15199 B13R1.669 OCCSCc1ccc(c(c1)F)F 62a_100000757363_100000211926 [0,2,0,0,0,0|0,2,0]=4 15200 B13R1.669 OCCSCc1ccc(c(c1)F)I 62a_100000211926_100010149604 [0,2,0,0,0,0|0,2,0]=4 15201 B13R1.669 OCCSCc1ccc(c(c1)F)I 62a_100010149604_100000211926 [0,2,0,0,0,0|0,2,0]=4 15202 B13R1.669 OCCSCc1ccc(c(c1)I)Br 62a_100000211926_100010146616 [0,2,0,0,0,0|0,2,0]=4 15203 B13R1.669 OCCSCc1ccc(c(c1)I)Br 62a_100010146616_100000211926 [0,2,0,0,0,0|0,2,0]=4 15204 B13R1.669 OCCSCc1ccc(c(c1)I)F 62a_100000211926_100010188208 [0,2,0,0,0,0|0,2,0]=4 15205 B13R1.669 OCCSCc1ccc(c(c1)I)F 62a_100010188208_100000211926 [0,2,0,0,0,0|0,2,0]=4 15206 B13R1.669 OCCSCc1cnc(c(c1)Cl)Cl 62a_100000211926_100009843750 [0,2,0,0,0,0|1,1,0]=4 15207 B13R1.669 OCCSCc1cnc(c(c1)Cl)Cl 62a_100009843750_100000211926 [0,2,0,0,0,0|1,1,0]=4 15208 B13R1.669 OCCSCc1cnc(c(c1)I)Cl 62a_100000211926_100011072623 [0,2,0,0,0,0|1,1,0]=4 15209 B13R1.669 OCCSCc1cnc(c(c1)I)Cl 62a_100011072623_100000211926 [0,2,0,0,0,0|1,1,0]=4 15210 B13R1.669 Oc1cc(ccc1Cl)CNCCF 34a_100020636435_100011217306 [0,2,0,0,0,0|2,0,0]=4 15211 B13R1.669 Oc1cc(ccc1Cl)NCCCF 34a_100011934209_100011934791 [0,2,0,0,0,0|2,0,0]=4 15212 B13R1.669 Oc1cc(ccc1Cl)SCCCF 62a_100011356854_100011934791 [0,2,0,0,0,0|1,1,0]=4 15213 B13R1.669 Oc1cc(ccc1Cl)SCCCF 62a_100011934791_100011356854 [0,2,0,0,0,0|1,1,0]=4 15214 B13R1.669 [13CH3]NCCOc1ccc(c(c1)Cl)Cl 2230a_100015199673_200025704644 [0,2,0,0,0,0|1,0,0]=3 15215 B13R1.669 [13CH3]NCCOc1ccc(c(c1)Cl)Cl 34a_100015199673_200025704644 [0,2,0,0,0,0|1,0,0]=3 15216 B13R1.669 [13CH3]OCCSc1ccc(c(c1)Cl)Cl 34a_200012295044_200025704644 [0,2,0,0,0,0|0,1,0]=3 15217 B13R1.669 [13CH3]OCCSc1ccc(c(c1)Cl)Cl 7a_200012295044_200025704644 [0,2,0,0,0,0|0,1,0]=3 15218 B13R1.669 [13CH3]SCCOc1ccc(c(c1)Cl)F 62a_100011936913_200025704644 [0,2,0,0,0,0|0,2,0]=4 15219 B13R1.669 [13CH3]SCCOc1ccc(c(c1)Cl)F 62a_200025704644_100011936913 [0,2,0,0,0,0|0,2,0]=4 15220 B13R1.1 CCCC(NC)c1ccc(cc1)Cl 269862a_106832991636_100000211515 [0,2,0,0,0,0|2,0,0]=4 15221 B13R1.1 CCCN(CC)c1ccc(cc1)Cl 2230a_100000220165_100000210303 [0,2,0,0,0,0|2,0,0]=4 15222 B13R1.1 CCCN(CC)c1ccc(cc1)Cl 269982a_100000220165_100000210303 [0,2,0,0,0,0|2,0,0]=4 15223 B13R1.1 CCCN(CC)c1ccc(cc1)Cl 34a_100000220165_100000210303 [0,2,0,0,0,0|2,0,0]=4 15224 B13R1.1 CCN(CCF)c1ccc(cc1)Cl 2230a_100000220165_100011217306 [0,2,0,0,0,0|2,0,0]=4 15225 B13R1.1 CCN(CCF)c1ccc(cc1)Cl 269982a_100000220165_100011217306 [0,2,0,0,0,0|2,0,0]=4 15226 B13R1.1 CCN(CCF)c1ccc(cc1)Cl 34a_100000220165_100011217306 [0,2,0,0,0,0|2,0,0]=4 15227 B13R1.1 CCN(CCO)c1ccc(cc1)Br 2230a_100000219632_100000211926 [0,2,0,0,0,0|1,1,0]=4 15228 B13R1.1 CCN(CCO)c1ccc(cc1)Br 269982a_100000219632_100000211926 [0,2,0,0,0,0|1,1,0]=4 15229 B13R1.1 CCN(CCO)c1ccc(cc1)Br 34a_100000219632_100000211926 [0,2,0,0,0,0|1,1,0]=4 15230 B13R1.1 CCN(CCO)c1ccc(cc1)C 2230a_100000219985_100000211926 [0,2,0,0,0,0|2,0,0]=4 15231 B13R1.1 CCN(CCO)c1ccc(cc1)C 269982a_100000219985_100000211926 [0,2,0,0,0,0|2,0,0]=4 15232 B13R1.1 CCN(CCO)c1ccc(cc1)C 34a_100000219985_100000211926 [0,2,0,0,0,0|2,0,0]=4 15233 B13R1.1 CCN(CCO)c1ccc(cc1)Cl 2230a_100000220165_100000211926 [0,2,0,0,0,0|1,0,0]=3 15234 B13R1.1 CCN(CCO)c1ccc(cc1)Cl 269982a_100000220165_100000211926 [0,2,0,0,0,0|1,0,0]=3 15235 B13R1.1 CCN(CCO)c1ccc(cc1)Cl 34a_100000220165_100000211926 [0,2,0,0,0,0|1,0,0]=3 15236 B13R1.1 CCN(CCO)c1ccc(cc1)F 2230a_100102640331_100000211926 [0,2,0,0,0,0|1,1,0]=4 15237 B13R1.1 CCN(CCO)c1ccc(cc1)F 269982a_100102640331_100000211926 [0,2,0,0,0,0|1,1,0]=4 15238 B13R1.1 CCN(CCO)c1ccc(cc1)F 34a_100102640331_100000211926 [0,2,0,0,0,0|1,1,0]=4 15239 B13R1.1 CCN(CCO)c1ccc(cc1)O 2230a_100011337800_100000211926 [0,2,0,0,0,0|2,0,0]=4 15240 B13R1.1 CCN(CCO)c1ccc(cc1)O 269982a_100011337800_100000211926 [0,2,0,0,0,0|2,0,0]=4 15241 B13R1.1 CCN(CCO)c1ccc(cc1)O 34a_100011337800_100000211926 [0,2,0,0,0,0|2,0,0]=4 15242 B13R1.1 CNC(CCO)c1ccc(cc1)C 2230a_100011661551_200000210301 [0,2,0,0,0,0|2,0,0]=4 15243 B13R1.1 CNC(CCO)c1ccc(cc1)C 34a_100011661551_200000210301 [0,2,0,0,0,0|2,0,0]=4 15244 B13R1.1 CNC(CCO)c1ccc(cc1)Cl 2230a_100000730317_200000210301 [0,2,0,0,0,0|1,0,0]=3 15245 B13R1.1 CNC(CCO)c1ccc(cc1)Cl 34a_100000730317_200000210301 [0,2,0,0,0,0|1,0,0]=3 15246 B13R1.1 CNC(CCO)c1ccc(cc1)F 2230a_100000752280_200000210301 [0,2,0,0,0,0|1,1,0]=4 15247 B13R1.1 CNC(CCO)c1ccc(cc1)F 34a_100000752280_200000210301 [0,2,0,0,0,0|1,1,0]=4 15248 B13R1.1 CN[C@@H](CCO)c1ccc(cc1)Br 2230a_102125605589_200000210301 [0,2,0,0,0,0|1,1,0]=4 15249 B13R1.1 CN[C@@H](CCO)c1ccc(cc1)Br 34a_102125605589_200000210301 [0,2,0,0,0,0|1,1,0]=4 15250 B13R1.1 Cc1ccc(cc1)C(CCO)N[13CH3] 2230a_100011661551_200025704644 [0,2,0,0,0,0|2,0,0]=4 15251 B13R1.1 Cc1ccc(cc1)C(CCO)N[13CH3] 34a_100011661551_200025704644 [0,2,0,0,0,0|2,0,0]=4 15252 B13R1.1 [13CH3]NC(CCO)c1ccc(cc1)Cl 2230a_100000730317_200025704644 [0,2,0,0,0,0|1,0,0]=3 15253 B13R1.1 [13CH3]NC(CCO)c1ccc(cc1)Cl 34a_100000730317_200025704644 [0,2,0,0,0,0|1,0,0]=3 15254 B13R1.1 [13CH3]NC(CCO)c1ccc(cc1)F 2230a_100000752280_200025704644 [0,2,0,0,0,0|1,1,0]=4 15255 B13R1.1 [13CH3]NC(CCO)c1ccc(cc1)F 34a_100000752280_200025704644 [0,2,0,0,0,0|1,1,0]=4 15256 B13R1.1 [13CH3]N[C@@H](CCO)c1ccc(cc1)Br 2230a_102125605589_200025704644 [0,2,0,0,0,0|1,1,0]=4 15257 B13R1.1 [13CH3]N[C@@H](CCO)c1ccc(cc1)Br 34a_102125605589_200025704644 [0,2,0,0,0,0|1,1,0]=4 15258 B13R1.21 CC(C(=O)CO)c1ccc(cc1)Cl 1458a_100000210174_100000684792 [0,2,0,0,0,0|1,0,1]=4 15259 B13R1.21 CC(CO)N(C)c1ccc(cc1)Br 2230a_100000219623_100012180447 [0,2,0,0,0,0|1,1,0]=4 15260 B13R1.21 CC(CO)N(C)c1ccc(cc1)Br 34a_100000219623_100012180447 [0,2,0,0,0,0|1,1,0]=4 15261 B13R1.21 CC(CO)N(C)c1ccc(cc1)Cl 2230a_100020629279_100012180447 [0,2,0,0,0,0|1,0,0]=3 15262 B13R1.21 CC(CO)N(C)c1ccc(cc1)Cl 34a_100020629279_100012180447 [0,2,0,0,0,0|1,0,0]=3 15263 B13R1.21 CC(CO)N(C)c1ccc(cc1)F 2230a_100000219829_100012180447 [0,2,0,0,0,0|1,1,0]=4 15264 B13R1.21 CC(CO)N(C)c1ccc(cc1)F 34a_100000219829_100012180447 [0,2,0,0,0,0|1,1,0]=4 15265 B13R1.21 CC(CO)N(C)c1ccc(cc1)I 2230a_100000743151_100012180447 [0,2,0,0,0,0|1,1,0]=4 15266 B13R1.21 CC(CO)N(C)c1ccc(cc1)I 34a_100000743151_100012180447 [0,2,0,0,0,0|1,1,0]=4 15267 B13R1.21 CC(CO)N(C)c1ccc(cc1)O 34a_100000182112_100012180447 [0,2,0,0,0,0|2,0,0]=4 15268 B13R1.21 CCC(C)C(=O)c1ccc(cc1)Cl 1458a_100000210187_100000758301 [0,2,0,0,0,0|2,0,0]=4 15269 B13R1.21 CCC(C)N(C)c1ccc(cc1)Cl 2230a_100020629279_100000758301 [0,2,0,0,0,0|2,0,0]=4 15270 B13R1.21 CCC(C)N(C)c1ccc(cc1)Cl 269982a_100020629279_100000758301 [0,2,0,0,0,0|2,0,0]=4 15271 B13R1.21 CCC(C)N(C)c1ccc(cc1)Cl 34a_100020629279_100011215416 [0,2,0,0,0,0|2,0,0]=4 15272 B13R1.21 CN(C(=O)CO)c1ccc(cc1)Cl 22a_100020629279_100000210174 [0,2,0,0,0,0|1,0,1]=4 15273 B13R1.21 C[C@H](CO)N(C)c1ccc(cc1)Br 269982a_100000219623_100016084084 [0,2,0,0,0,0|1,1,0]=4 15274 B13R1.21 C[C@H](CO)N(C)c1ccc(cc1)Cl 269982a_100020629279_100016084084 [0,2,0,0,0,0|1,0,0]=3 15275 B13R1.21 C[C@H](CO)N(C)c1ccc(cc1)F 269982a_100000219829_100016084084 [0,2,0,0,0,0|1,1,0]=4 15276 B13R1.21 C[C@H](CO)N(C)c1ccc(cc1)I 269982a_100000743151_100016084084 [0,2,0,0,0,0|1,1,0]=4 15277 B13R1.21 C[C@H](CO)N(C)c1ccc(cc1)O 269982a_100000182112_100016084084 [0,2,0,0,0,0|2,0,0]=4 15278 B13R1.21 Cc1ccc(cc1)N(C)C(C)CO 2230a_100000219977_100012180447 [0,2,0,0,0,0|2,0,0]=4 15279 B13R1.21 Cc1ccc(cc1)N(C)C(C)CO 34a_100000219977_100012180447 [0,2,0,0,0,0|2,0,0]=4 15280 B13R1.21 Cc1ccc(cc1)N(C)[C@H](C)CO 269982a_100000219977_100016084084 [0,2,0,0,0,0|2,0,0]=4 15281 B13R1.132 CC(C)CC(=O)c1ccc(cc1)Cl 1458a_100000210187_100000210624 [0,2,0,0,0,0|2,0,0]=4 15282 B13R1.132 CC(C)CN(C)c1ccc(cc1)Cl 2230a_100020629279_100000210760 [0,2,0,0,0,0|2,0,0]=4 15283 B13R1.132 CC(C)CN(C)c1ccc(cc1)Cl 269982a_100020629279_100000210624 [0,2,0,0,0,0|2,0,0]=4 15284 B13R1.132 CC(C)CN(C)c1ccc(cc1)Cl 34a_100020629279_100000210624 [0,2,0,0,0,0|2,0,0]=4 15285 B13R1.132 CC(C)C[C@H](N)c1ccc(cc1)Cl 271570a_100015190218_100000755918 [0,2,0,0,0,0|2,0,0]=4 15286 B13R1.132 CC(O)CC(=O)c1ccc(cc1)Br 1458a_100000185839_100011218427 [0,2,0,0,0,0|1,1,0]=4 15287 B13R1.132 CC(O)CC(=O)c1ccc(cc1)Cl 1458a_100000210187_100011218427 [0,2,0,0,0,0|1,0,0]=3 15288 B13R1.132 CC(O)CC(=O)c1ccc(cc1)F 1458a_100000187176_100011218427 [0,2,0,0,0,0|1,1,0]=4 15289 B13R1.132 CC(O)CC(=O)c1ccc(cc1)I 1458a_100000187904_100011218427 [0,2,0,0,0,0|1,1,0]=4 15290 B13R1.132 CC(O)CC(=O)c1ccc(cc1)O 1458a_100000212099_100011218427 [0,2,0,0,0,0|2,0,0]=4 15291 B13R1.132 CC(O)CN(C)c1ccc(cc1)Br 2230a_100000219623_100011218427 [0,2,0,0,0,0|1,1,0]=4 15292 B13R1.132 CC(O)CN(C)c1ccc(cc1)Br 269982a_100000219623_100011218427 [0,2,0,0,0,0|1,1,0]=4 15293 B13R1.132 CC(O)CN(C)c1ccc(cc1)Br 34a_100000219623_100011218427 [0,2,0,0,0,0|1,1,0]=4 15294 B13R1.132 CC(O)CN(C)c1ccc(cc1)Cl 2230a_100020629279_100011218427 [0,2,0,0,0,0|1,0,0]=3 15295 B13R1.132 CC(O)CN(C)c1ccc(cc1)Cl 269982a_100020629279_100011218427 [0,2,0,0,0,0|1,0,0]=3 15296 B13R1.132 CC(O)CN(C)c1ccc(cc1)Cl 34a_100020629279_100011218427 [0,2,0,0,0,0|1,0,0]=3 15297 B13R1.132 CC(O)CN(C)c1ccc(cc1)F 2230a_100000219829_100011218427 [0,2,0,0,0,0|1,1,0]=4 15298 B13R1.132 CC(O)CN(C)c1ccc(cc1)F 269982a_100000219829_100011218427 [0,2,0,0,0,0|1,1,0]=4 15299 B13R1.132 CC(O)CN(C)c1ccc(cc1)F 34a_100000219829_100011218427 [0,2,0,0,0,0|1,1,0]=4 15300 B13R1.132 CC(O)CN(C)c1ccc(cc1)I 2230a_100000743151_100011218427 [0,2,0,0,0,0|1,1,0]=4 15301 B13R1.132 CC(O)CN(C)c1ccc(cc1)I 269982a_100000743151_100011218427 [0,2,0,0,0,0|1,1,0]=4 15302 B13R1.132 CC(O)CN(C)c1ccc(cc1)I 34a_100000743151_100011218427 [0,2,0,0,0,0|1,1,0]=4 15303 B13R1.132 CC(O)CN(C)c1ccc(cc1)O 269982a_100000182112_100011218427 [0,2,0,0,0,0|2,0,0]=4 15304 B13R1.132 CC(O)CN(C)c1ccc(cc1)O 34a_100000182112_100011218427 [0,2,0,0,0,0|2,0,0]=4 15305 B13R1.132 CN(CC(=O)O)c1ccc(cc1)Cl 269956a_100000741738_200000210301 [0,2,0,0,0,0|1,0,1]=4 15306 B13R1.132 CN(CC(F)F)c1ccc(cc1)Cl 2230a_100020629279_100011934356 [0,2,0,0,0,0|2,0,0]=4 15307 B13R1.132 CN(CC(F)F)c1ccc(cc1)Cl 269982a_100020629279_100011934356 [0,2,0,0,0,0|2,0,0]=4 15308 B13R1.132 CN(CC(F)F)c1ccc(cc1)Cl 34a_100020629279_100011934356 [0,2,0,0,0,0|2,0,0]=4 15309 B13R1.132 C[C@@H](O)CN(C)c1ccc(cc1)Br 2230a_100000219623_100009817552 [0,2,0,0,0,0|1,1,0]=4 15310 B13R1.132 C[C@@H](O)CN(C)c1ccc(cc1)Br 269982a_100000219623_100009817552 [0,2,0,0,0,0|1,1,0]=4 15311 B13R1.132 C[C@@H](O)CN(C)c1ccc(cc1)Br 34a_100000219623_100009817552 [0,2,0,0,0,0|1,1,0]=4 15312 B13R1.132 C[C@@H](O)CN(C)c1ccc(cc1)Cl 2230a_100020629279_100009817552 [0,2,0,0,0,0|1,0,0]=3 15313 B13R1.132 C[C@@H](O)CN(C)c1ccc(cc1)Cl 269982a_100020629279_100009817552 [0,2,0,0,0,0|1,0,0]=3 15314 B13R1.132 C[C@@H](O)CN(C)c1ccc(cc1)Cl 34a_100020629279_100009817552 [0,2,0,0,0,0|1,0,0]=3 15315 B13R1.132 C[C@@H](O)CN(C)c1ccc(cc1)F 2230a_100000219829_100009817552 [0,2,0,0,0,0|1,1,0]=4 15316 B13R1.132 C[C@@H](O)CN(C)c1ccc(cc1)F 269982a_100000219829_100009817552 [0,2,0,0,0,0|1,1,0]=4 15317 B13R1.132 C[C@@H](O)CN(C)c1ccc(cc1)F 34a_100000219829_100009817552 [0,2,0,0,0,0|1,1,0]=4 15318 B13R1.132 C[C@@H](O)CN(C)c1ccc(cc1)I 2230a_100000743151_100009817552 [0,2,0,0,0,0|1,1,0]=4 15319 B13R1.132 C[C@@H](O)CN(C)c1ccc(cc1)I 269982a_100000743151_100009817552 [0,2,0,0,0,0|1,1,0]=4 15320 B13R1.132 C[C@@H](O)CN(C)c1ccc(cc1)I 34a_100000743151_100009817552 [0,2,0,0,0,0|1,1,0]=4 15321 B13R1.132 C[C@@H](O)CN(C)c1ccc(cc1)O 269982a_100000182112_100009817552 [0,2,0,0,0,0|2,0,0]=4 15322 B13R1.132 C[C@@H](O)CN(C)c1ccc(cc1)O 34a_100000182112_100009817552 [0,2,0,0,0,0|2,0,0]=4 15323 B13R1.132 Cc1ccc(cc1)C(=O)CC(C)O 1458a_100000188618_100011218427 [0,2,0,0,0,0|2,0,0]=4 15324 B13R1.132 Cc1ccc(cc1)N(C)CC(C)O 2230a_100000219977_100011218427 [0,2,0,0,0,0|2,0,0]=4 15325 B13R1.132 Cc1ccc(cc1)N(C)CC(C)O 269982a_100000219977_100011218427 [0,2,0,0,0,0|2,0,0]=4 15326 B13R1.132 Cc1ccc(cc1)N(C)CC(C)O 34a_100000219977_100011218427 [0,2,0,0,0,0|2,0,0]=4 15327 B13R1.132 Cc1ccc(cc1)N(C)C[C@@H](C)O 2230a_100000219977_100009817552 [0,2,0,0,0,0|2,0,0]=4 15328 B13R1.132 Cc1ccc(cc1)N(C)C[C@@H](C)O 269982a_100000219977_100009817552 [0,2,0,0,0,0|2,0,0]=4 15329 B13R1.132 Cc1ccc(cc1)N(C)C[C@@H](C)O 34a_100000219977_100009817552 [0,2,0,0,0,0|2,0,0]=4 15330 B13R1.132 O=C(CC(F)F)c1ccc(cc1)Cl 1458a_100000210187_100011934356 [0,2,0,0,0,0|2,0,0]=4 15331 B13R1.132 [13CH3]N(CC(=O)O)c1ccc(cc1)Cl 269956a_100000741738_200025704644 [0,2,0,0,0,0|1,0,1]=4 15332 B13R1.452 C#Cc1ccc(cc1)C(=O)CCO 1458a_100011217615_100000211926 [0,2,0,0,0,0|2,0,0]=4 15333 B13R1.452 C=Cc1ccc(cc1)C(=O)CCO 1458a_100000687532_100000211926 [0,2,0,0,0,0|2,0,0]=4 15334 B13R1.452 C=Cc1ccc(cc1)[C@@H](N)CCO 271570a_100011290941_102125605589 [0,2,0,0,0,0|2,0,0]=4 15335 B13R1.452 CCc1ccc(cc1)C(=O)CCO 1458a_100000211226_100000211926 [0,2,0,0,0,0|2,0,0]=4 15336 B13R1.452 CN(CCO)c1ccc(cc1)C#N 269982a_100000739737_100000211926 [0,2,0,0,0,0|2,0,0]=4 15337 B13R1.452 CN(CCO)c1ccc(cc1)C#N 34a_100000739737_100000211926 [0,2,0,0,0,0|2,0,0]=4 15338 B13R1.452 COc1ccc(cc1)C(=O)CCO 1458a_100000184203_100000211926 [0,2,0,0,0,0|2,0,0]=4 15339 B13R1.452 COc1ccc(cc1)N(C)CCO 2230a_100000220023_100000211926 [0,2,0,0,0,0|2,0,0]=4 15340 B13R1.452 COc1ccc(cc1)N(C)CCO 269982a_100000220023_100000211926 [0,2,0,0,0,0|2,0,0]=4 15341 B13R1.452 COc1ccc(cc1)N(C)CCO 34a_100000220023_100000211926 [0,2,0,0,0,0|2,0,0]=4 15342 B13R1.452 CSc1ccc(cc1)C(=O)CCO 1458a_100000189692_100000211926 [0,2,0,0,0,0|2,0,0]=4 15343 B13R1.452 CSc1ccc(cc1)[C@@H](N)CCO 62a_102125605589_200000210301 [0,2,0,0,0,0|2,0,0]=4 15344 B13R1.452 CSc1ccc(cc1)[C@@H](N)CCO 62a_200000210301_102125605589 [0,2,0,0,0,0|2,0,0]=4 15345 B13R1.452 N#Cc1ccc(cc1)C(=O)CCO 1458a_100000210717_100000211926 [0,2,0,0,0,0|2,0,0]=4 15346 B13R1.452 O=C(CCO)c1ccc(cc1)CO 1458a_100000183892_100000211926 [0,2,0,0,0,0|2,0,0]=4 15347 B13R1.452 [13CH3]Sc1ccc(cc1)[C@@H](N)CCO 62a_102125605589_200025704644 [0,2,0,0,0,0|2,0,0]=4 15348 B13R1.452 [13CH3]Sc1ccc(cc1)[C@@H](N)CCO 62a_200025704644_102125605589 [0,2,0,0,0,0|2,0,0]=4 15349 B13R1.466 CCCC(=O)c1ccc(c(c1)Br)Cl 1458a_100000691181_100000210303 [0,2,0,0,0,0|2,0,0]=4 15350 B13R1.466 CCCC(=O)c1ccc(c(c1)C)Cl 1458a_100000686306_100000210303 [0,2,0,0,0,0|2,0,0]=4 15351 B13R1.466 CCCC(=O)c1ccc(c(c1)Cl)Cl 1458a_100000210401_100000210303 [0,2,0,0,0,0|2,0,0]=4 15352 B13R1.466 CCCC(=O)c1ccc(c(c1)F)Cl 1458a_100000743183_100000210303 [0,2,0,0,0,0|2,0,0]=4 15353 B13R1.466 CCCC(=O)c1ccc(c(c1)I)Cl 1458a_100000739381_100000210303 [0,2,0,0,0,0|2,0,0]=4 15354 B13R1.466 CCCC(=O)c1ccc(c(c1)O)Cl 1458a_100011933997_100000210303 [0,2,0,0,0,0|2,0,0]=4 15355 B13R1.466 CCCN(C)c1ccc(c(c1)C)Cl 2230a_114849113799_100000210303 [0,2,0,0,0,0|2,0,0]=4 15356 B13R1.466 CCCN(C)c1ccc(c(c1)C)Cl 269982a_114849113799_100000210303 [0,2,0,0,0,0|2,0,0]=4 15357 B13R1.466 CCCN(C)c1ccc(c(c1)C)Cl 34a_114849113799_100000210303 [0,2,0,0,0,0|2,0,0]=4 15358 B13R1.466 CCCN(C)c1ccc(c(c1)Cl)Cl 2230a_100000219944_100000210303 [0,2,0,0,0,0|2,0,0]=4 15359 B13R1.466 CCCN(C)c1ccc(c(c1)Cl)Cl 2230a_100102698826_200000210301 [0,2,0,0,0,0|2,0,0]=4 15360 B13R1.466 CCCN(C)c1ccc(c(c1)Cl)Cl 269982a_100000219944_100000210303 [0,2,0,0,0,0|2,0,0]=4 15361 B13R1.466 CCCN(C)c1ccc(c(c1)Cl)Cl 269982a_100102698826_200000210301 [0,2,0,0,0,0|2,0,0]=4 15362 B13R1.466 CCCN(C)c1ccc(c(c1)Cl)Cl 34a_100000219944_100000210303 [0,2,0,0,0,0|2,0,0]=4 15363 B13R1.466 CCCN(C)c1ccc(c(c1)Cl)Cl 34a_100102698826_200000210301 [0,2,0,0,0,0|2,0,0]=4 15364 B13R1.466 CCCN(C)c1ccc(c(c1)Cl)Cl 7a_100102698826_200000210301 [0,2,0,0,0,0|2,0,0]=4 15365 B13R1.466 CCCN([13CH3])c1ccc(c(c1)Cl)Cl 2230a_100102698826_200025704644 [0,2,0,0,0,0|2,0,0]=4 15366 B13R1.466 CCCN([13CH3])c1ccc(c(c1)Cl)Cl 269982a_100102698826_200025704644 [0,2,0,0,0,0|2,0,0]=4 15367 B13R1.466 CCCN([13CH3])c1ccc(c(c1)Cl)Cl 34a_100102698826_200025704644 [0,2,0,0,0,0|2,0,0]=4 15368 B13R1.466 CCCN([13CH3])c1ccc(c(c1)Cl)Cl 7a_100102698826_200025704644 [0,2,0,0,0,0|2,0,0]=4 15369 B13R1.466 CN(CCF)c1ccc(c(c1)Cl)Cl 2230a_100000219944_100011217306 [0,2,0,0,0,0|2,0,0]=4 15370 B13R1.466 CN(CCF)c1ccc(c(c1)Cl)Cl 269982a_100000219944_100011217306 [0,2,0,0,0,0|2,0,0]=4 15371 B13R1.466 CN(CCF)c1ccc(c(c1)Cl)Cl 34a_100000219944_100011217306 [0,2,0,0,0,0|2,0,0]=4 15372 B13R1.466 CN(CCO)c1ccc(c(c1)Cl)Cl 2230a_100000219944_100000211926 [0,2,0,0,0,0|1,0,0]=3 15373 B13R1.466 CN(CCO)c1ccc(c(c1)Cl)Cl 269982a_100000219944_100000211926 [0,2,0,0,0,0|1,0,0]=3 15374 B13R1.466 CN(CCO)c1ccc(c(c1)Cl)Cl 34a_100000219944_100000211926 [0,2,0,0,0,0|1,0,0]=3 15375 B13R1.466 CN(CCO)c1ccc(c(c1)Cl)F 2230a_100000697440_100000211926 [0,2,0,0,0,0|1,1,0]=4 15376 B13R1.466 CN(CCO)c1ccc(c(c1)Cl)F 269982a_100000697440_100000211926 [0,2,0,0,0,0|1,1,0]=4 15377 B13R1.466 CN(CCO)c1ccc(c(c1)Cl)F 34a_100000697440_100000211926 [0,2,0,0,0,0|1,1,0]=4 15378 B13R1.466 CN(CCO)c1ccc(c(c1)Cl)F 38a_100000697440_100000211926 [0,2,0,0,0,0|1,1,0]=4 15379 B13R1.466 CN(CCO)c1ccc(c(c1)Cl)F 7a_100000697440_100000211926 [0,2,0,0,0,0|1,1,0]=4 15380 B13R1.466 CN(CCO)c1ccc(c(c1)F)Br 2230a_100012285320_100000211926 [0,2,0,0,0,0|1,1,0]=4 15381 B13R1.466 CN(CCO)c1ccc(c(c1)F)Br 269982a_100012285320_100000211926 [0,2,0,0,0,0|1,1,0]=4 15382 B13R1.466 CN(CCO)c1ccc(c(c1)F)Br 34a_100012285320_100000211926 [0,2,0,0,0,0|1,1,0]=4 15383 B13R1.466 CN(CCO)c1ccc(c(c1)F)Br 7a_100012285320_100000211926 [0,2,0,0,0,0|1,1,0]=4 15384 B13R1.466 CN(CCO)c1ccc(c(c1)F)F 2230a_100000221014_100000211926 [0,2,0,0,0,0|1,1,0]=4 15385 B13R1.466 CN(CCO)c1ccc(c(c1)F)F 269982a_100000221014_100000211926 [0,2,0,0,0,0|1,1,0]=4 15386 B13R1.466 CN(CCO)c1ccc(c(c1)F)F 34a_100000221014_100000211926 [0,2,0,0,0,0|1,1,0]=4 15387 B13R1.466 CN(CCO)c1ccc(c(c1)F)F 38a_100000221014_100000211926 [0,2,0,0,0,0|1,1,0]=4 15388 B13R1.466 CN(CCO)c1ccc(c(c1)F)F 7a_100000221014_100000211926 [0,2,0,0,0,0|1,1,0]=4 15389 B13R1.466 Cc1cc(ccc1Br)C(=O)CCO 1458a_100000692631_100000211926 [0,2,0,0,0,0|1,1,0]=4 15390 B13R1.466 Cc1cc(ccc1Br)N(C)CCO 2230a_100102888905_100000211926 [0,2,0,0,0,0|1,1,0]=4 15391 B13R1.466 Cc1cc(ccc1Br)N(C)CCO 269982a_100102888905_100000211926 [0,2,0,0,0,0|1,1,0]=4 15392 B13R1.466 Cc1cc(ccc1Br)N(C)CCO 34a_100102888905_100000211926 [0,2,0,0,0,0|1,1,0]=4 15393 B13R1.466 Cc1cc(ccc1Cl)C(=O)CCF 1458a_100000686306_100011217306 [0,2,0,0,0,0|2,0,0]=4 15394 B13R1.466 Cc1cc(ccc1Cl)C(=O)CCO 1458a_100000686306_100000211926 [0,2,0,0,0,0|1,0,0]=3 15395 B13R1.466 Cc1cc(ccc1Cl)N(C)CCF 2230a_114849113799_100011217306 [0,2,0,0,0,0|2,0,0]=4 15396 B13R1.466 Cc1cc(ccc1Cl)N(C)CCF 269982a_114849113799_100011217306 [0,2,0,0,0,0|2,0,0]=4 15397 B13R1.466 Cc1cc(ccc1Cl)N(C)CCF 34a_114849113799_100011217306 [0,2,0,0,0,0|2,0,0]=4 15398 B13R1.466 Cc1cc(ccc1Cl)N(C)CCO 2230a_114849113799_100000211926 [0,2,0,0,0,0|1,0,0]=3 15399 B13R1.466 Cc1cc(ccc1Cl)N(C)CCO 269982a_114849113799_100000211926 [0,2,0,0,0,0|1,0,0]=3 15400 B13R1.466 Cc1cc(ccc1Cl)N(C)CCO 34a_114849113799_100000211926 [0,2,0,0,0,0|1,0,0]=3 15401 B13R1.466 Cc1cc(ccc1F)C(=O)CCO 1458a_100000751819_100000211926 [0,2,0,0,0,0|1,1,0]=4 15402 B13R1.466 Cc1cc(ccc1F)N(C)CCO 2230a_100011756966_100000211926 [0,2,0,0,0,0|1,1,0]=4 15403 B13R1.466 Cc1cc(ccc1F)N(C)CCO 269982a_100011756966_100000211926 [0,2,0,0,0,0|1,1,0]=4 15404 B13R1.466 Cc1cc(ccc1F)N(C)CCO 34a_100011756966_100000211926 [0,2,0,0,0,0|1,1,0]=4 15405 B13R1.466 Cc1cc(ccc1F)N(C)CCO 38a_100011756966_100000211926 [0,2,0,0,0,0|1,1,0]=4 15406 B13R1.466 Cc1cc(ccc1F)N(C)CCO 7a_100011756966_100000211926 [0,2,0,0,0,0|1,1,0]=4 15407 B13R1.466 Cc1cc(ccc1I)C(=O)CCO 1458a_100000751300_100000211926 [0,2,0,0,0,0|1,1,0]=4 15408 B13R1.466 Cc1cc(ccc1O)C(=O)CCO 1458a_100000685612_100000211926 [0,2,0,0,0,0|2,0,0]=4 15409 B13R1.466 Cc1ccc(cc1Br)C(=O)CCO 1458a_100000186397_100000211926 [0,2,0,0,0,0|2,0,0]=4 15410 B13R1.466 Cc1ccc(cc1Br)N(C)CCO 2230a_100000707694_100000211926 [0,2,0,0,0,0|2,0,0]=4 15411 B13R1.466 Cc1ccc(cc1Br)N(C)CCO 269982a_100000707694_100000211926 [0,2,0,0,0,0|2,0,0]=4 15412 B13R1.466 Cc1ccc(cc1Br)N(C)CCO 34a_100000707694_100000211926 [0,2,0,0,0,0|2,0,0]=4 15413 B13R1.466 Cc1ccc(cc1Br)N(C)CCO 38a_100000707694_100000211926 [0,2,0,0,0,0|2,0,0]=4 15414 B13R1.466 Cc1ccc(cc1C)C(=O)CCO 1458a_100000210898_100000211926 [0,2,0,0,0,0|2,0,0]=4 15415 B13R1.466 Cc1ccc(cc1Cl)C(=O)CCO 1458a_100000751740_100000211926 [0,2,0,0,0,0|2,0,0]=4 15416 B13R1.466 Cc1ccc(cc1Cl)N(C)CCO 2230a_100000220120_100000211926 [0,2,0,0,0,0|2,0,0]=4 15417 B13R1.466 Cc1ccc(cc1Cl)N(C)CCO 269982a_100000220120_100000211926 [0,2,0,0,0,0|2,0,0]=4 15418 B13R1.466 Cc1ccc(cc1Cl)N(C)CCO 34a_100000220120_100000211926 [0,2,0,0,0,0|2,0,0]=4 15419 B13R1.466 Cc1ccc(cc1Cl)N(C)CCO 38a_100000220120_100000211926 [0,2,0,0,0,0|2,0,0]=4 15420 B13R1.466 Cc1ccc(cc1F)C(=O)CCO 1458a_100000212313_100000211926 [0,2,0,0,0,0|2,0,0]=4 15421 B13R1.466 Cc1ccc(cc1F)N(C)CCO 2230a_100160572069_100000211926 [0,2,0,0,0,0|2,0,0]=4 15422 B13R1.466 Cc1ccc(cc1F)N(C)CCO 269982a_100160572069_100000211926 [0,2,0,0,0,0|2,0,0]=4 15423 B13R1.466 Cc1ccc(cc1F)N(C)CCO 34a_100160572069_100000211926 [0,2,0,0,0,0|2,0,0]=4 15424 B13R1.466 Cc1ccc(cc1F)N(C)CCO 38a_100160572069_100000211926 [0,2,0,0,0,0|2,0,0]=4 15425 B13R1.466 Cc1ccc(cc1F)N(C)CCO 7a_100160572069_100000211926 [0,2,0,0,0,0|2,0,0]=4 15426 B13R1.466 Cc1ccc(cc1I)C(=O)CCO 1458a_100000751299_100000211926 [0,2,0,0,0,0|2,0,0]=4 15427 B13R1.466 Cc1ccc(cc1O)C(=O)CCO 1458a_100000233767_100000211926 [0,2,0,0,0,0|2,0,0]=4 15428 B13R1.466 Cc1ccc(cc1O)N(C)CCO 269982a_100000057592_200000210301 [0,2,0,0,0,0|2,0,0]=4 15429 B13R1.466 Cc1ccc(cc1O)N(C)CCO 34a_100000057592_200000210301 [0,2,0,0,0,0|2,0,0]=4 15430 B13R1.466 Cc1ccc(cc1O)N(C)CCO 7a_100000057592_200000210301 [0,2,0,0,0,0|2,0,0]=4 15431 B13R1.466 Cc1ccc(cc1O)N([13CH3])CCO 269982a_100000057592_200025704644 [0,2,0,0,0,0|2,0,0]=4 15432 B13R1.466 Cc1ccc(cc1O)N([13CH3])CCO 34a_100000057592_200025704644 [0,2,0,0,0,0|2,0,0]=4 15433 B13R1.466 Cc1ccc(cc1O)N([13CH3])CCO 7a_100000057592_200025704644 [0,2,0,0,0,0|2,0,0]=4 15434 B13R1.466 O=C(CCF)c1ccc(c(c1)Br)Cl 1458a_100000691181_100011217306 [0,2,0,0,0,0|2,0,0]=4 15435 B13R1.466 O=C(CCF)c1ccc(c(c1)Cl)Cl 1458a_100000210401_100011217306 [0,2,0,0,0,0|2,0,0]=4 15436 B13R1.466 O=C(CCF)c1ccc(c(c1)F)Cl 1458a_100000743183_100011217306 [0,2,0,0,0,0|2,0,0]=4 15437 B13R1.466 O=C(CCF)c1ccc(c(c1)I)Cl 1458a_100000739381_100011217306 [0,2,0,0,0,0|2,0,0]=4 15438 B13R1.466 O=C(CCF)c1ccc(c(c1)O)Cl 1458a_100011933997_100011217306 [0,2,0,0,0,0|2,0,0]=4 15439 B13R1.466 O=C(CCO)c1ccc(c(c1)Br)Br 1458a_100012339404_100000211926 [0,2,0,0,0,0|1,1,0]=4 15440 B13R1.466 O=C(CCO)c1ccc(c(c1)Br)Cl 1458a_100000691181_100000211926 [0,2,0,0,0,0|1,0,0]=3 15441 B13R1.466 O=C(CCO)c1ccc(c(c1)Br)F 1458a_100000760357_100000211926 [0,2,0,0,0,0|1,1,0]=4 15442 B13R1.466 O=C(CCO)c1ccc(c(c1)Br)I 1458a_100000739115_100000211926 [0,2,0,0,0,0|1,1,0]=4 15443 B13R1.466 O=C(CCO)c1ccc(c(c1)Br)O 1458a_100000189672_100000211926 [0,2,0,0,0,0|2,0,0]=4 15444 B13R1.466 O=C(CCO)c1ccc(c(c1)Cl)Br 1458a_100000687082_100000211926 [0,2,0,0,0,0|1,1,0]=4 15445 B13R1.466 O=C(CCO)c1ccc(c(c1)Cl)Cl 1458a_100000210401_100000211926 [0,2,0,0,0,0|1,0,0]=3 15446 B13R1.466 O=C(CCO)c1ccc(c(c1)Cl)F 1458a_100000686462_100000211926 [0,2,0,0,0,0|1,1,0]=4 15447 B13R1.466 O=C(CCO)c1ccc(c(c1)Cl)I 1458a_100000684831_100000211926 [0,2,0,0,0,0|1,1,0]=4 15448 B13R1.466 O=C(CCO)c1ccc(c(c1)Cl)O 1458a_100000212196_100000211926 [0,2,0,0,0,0|2,0,0]=4 15449 B13R1.466 O=C(CCO)c1ccc(c(c1)F)Br 1458a_100000743946_100000211926 [0,2,0,0,0,0|1,1,0]=4 15450 B13R1.466 O=C(CCO)c1ccc(c(c1)F)Cl 1458a_100000743183_100000211926 [0,2,0,0,0,0|1,0,0]=3 15451 B13R1.466 O=C(CCO)c1ccc(c(c1)F)F 1458a_100000209822_100000211926 [0,2,0,0,0,0|1,1,0]=4 15452 B13R1.466 O=C(CCO)c1ccc(c(c1)F)I 1458a_100000062624_100000211926 [0,2,0,0,0,0|1,1,0]=4 15453 B13R1.466 O=C(CCO)c1ccc(c(c1)F)O 1458a_100000185466_100000211926 [0,2,0,0,0,0|2,0,0]=4 15454 B13R1.466 O=C(CCO)c1ccc(c(c1)I)Br 1458a_100012343876_100000211926 [0,2,0,0,0,0|1,1,0]=4 15455 B13R1.466 O=C(CCO)c1ccc(c(c1)I)Cl 1458a_100000739381_100000211926 [0,2,0,0,0,0|1,0,0]=3 15456 B13R1.466 O=C(CCO)c1ccc(c(c1)I)F 1458a_100000688015_100000211926 [0,2,0,0,0,0|1,1,0]=4 15457 B13R1.466 O=C(CCO)c1ccc(c(c1)I)I 1458a_100000725830_100000211926 [0,2,0,0,0,0|1,1,0]=4 15458 B13R1.466 O=C(CCO)c1ccc(c(c1)I)O 1458a_100000037485_100000211926 [0,2,0,0,0,0|2,0,0]=4 15459 B13R1.466 O=C(CCO)c1ccc(c(c1)O)Br 1458a_100000689001_100000211926 [0,2,0,0,0,0|1,1,0]=4 15460 B13R1.466 O=C(CCO)c1ccc(c(c1)O)Cl 1458a_100011933997_100000211926 [0,2,0,0,0,0|1,0,0]=3 15461 B13R1.466 O=C(CCO)c1ccc(c(c1)O)F 1458a_100000035894_100000211926 [0,2,0,0,0,0|1,1,0]=4 15462 B13R1.466 O=C(CCO)c1ccc(c(c1)O)I 1458a_100000239334_100000211926 [0,2,0,0,0,0|1,1,0]=4 15463 B13R1.466 O=C(CCO)c1ccc(c(c1)O)O 1458a_100000212155_100000211926 [0,2,0,0,0,0|2,0,0]=4 15464 B13R1.1511 CCCC(=O)c1ccc(cc1Br)Cl 1458a_100000766353_100000210303 [0,2,0,0,0,0|2,0,0]=4 15465 B13R1.1511 CCCC(=O)c1ccc(cc1C)Cl 1458a_100000688705_100000210303 [0,2,0,0,0,0|2,0,0]=4 15466 B13R1.1511 CCCC(=O)c1ccc(cc1Cl)Cl 1458a_100000185840_100000210303 [0,2,0,0,0,0|2,0,0]=4 15467 B13R1.1511 CCCC(=O)c1ccc(cc1F)Cl 1458a_100000212326_100000210303 [0,2,0,0,0,0|2,0,0]=4 15468 B13R1.1511 CCCC(=O)c1ccc(cc1I)Cl 1458a_100000739380_100000210303 [0,2,0,0,0,0|2,0,0]=4 15469 B13R1.1511 CCCC(=O)c1ccc(cc1O)Cl 1458a_100000188622_100000210303 [0,2,0,0,0,0|2,0,0]=4 15470 B13R1.1511 CCCN(C)c1ccc(cc1Br)Cl 269982a_100020633009_100000210303 [0,2,0,0,0,0|2,0,0]=4 15471 B13R1.1511 CCCN(C)c1ccc(cc1Br)Cl 34a_100020633009_100000210303 [0,2,0,0,0,0|2,0,0]=4 15472 B13R1.1511 CCCN(C)c1ccc(cc1C)Cl 2230a_114849113698_100000210303 [0,2,0,0,0,0|2,0,0]=4 15473 B13R1.1511 CCCN(C)c1ccc(cc1C)Cl 269982a_114849113698_100000210303 [0,2,0,0,0,0|2,0,0]=4 15474 B13R1.1511 CCCN(C)c1ccc(cc1C)Cl 34a_114849113698_100000210303 [0,2,0,0,0,0|2,0,0]=4 15475 B13R1.1511 CCCN(C)c1ccc(cc1C)Cl 38a_114849113698_100000210303 [0,2,0,0,0,0|2,0,0]=4 15476 B13R1.1511 CCCN(C)c1ccc(cc1Cl)Cl 269982a_114849113696_100000210303 [0,2,0,0,0,0|2,0,0]=4 15477 B13R1.1511 CCCN(C)c1ccc(cc1Cl)Cl 34a_114849113696_100000210303 [0,2,0,0,0,0|2,0,0]=4 15478 B13R1.1511 CN(CCF)c1ccc(cc1Br)Cl 269982a_100020633009_100011217306 [0,2,0,0,0,0|2,0,0]=4 15479 B13R1.1511 CN(CCF)c1ccc(cc1Br)Cl 34a_100020633009_100011217306 [0,2,0,0,0,0|2,0,0]=4 15480 B13R1.1511 CN(CCF)c1ccc(cc1Cl)Cl 269982a_114849113696_100011217306 [0,2,0,0,0,0|2,0,0]=4 15481 B13R1.1511 CN(CCF)c1ccc(cc1Cl)Cl 34a_114849113696_100011217306 [0,2,0,0,0,0|2,0,0]=4 15482 B13R1.1511 CN(CCO)c1ccc(cc1Br)Br 269982a_200000221195_100000211926 [0,2,0,0,0,0|1,1,0]=4 15483 B13R1.1511 CN(CCO)c1ccc(cc1Br)Br 34a_200000221195_100000211926 [0,2,0,0,0,0|1,1,0]=4 15484 B13R1.1511 CN(CCO)c1ccc(cc1Br)Cl 269982a_100020633009_100000211926 [0,2,0,0,0,0|1,0,0]=3 15485 B13R1.1511 CN(CCO)c1ccc(cc1Br)Cl 34a_100020633009_100000211926 [0,2,0,0,0,0|1,0,0]=3 15486 B13R1.1511 CN(CCO)c1ccc(cc1Br)F 269982a_100011246292_100000211926 [0,2,0,0,0,0|1,1,0]=4 15487 B13R1.1511 CN(CCO)c1ccc(cc1Br)F 34a_100011246292_100000211926 [0,2,0,0,0,0|1,1,0]=4 15488 B13R1.1511 CN(CCO)c1ccc(cc1Cl)Br 269982a_100000221650_100000211926 [0,2,0,0,0,0|1,1,0]=4 15489 B13R1.1511 CN(CCO)c1ccc(cc1Cl)Br 34a_100000221650_100000211926 [0,2,0,0,0,0|1,1,0]=4 15490 B13R1.1511 CN(CCO)c1ccc(cc1Cl)Cl 269982a_114849113696_100000211926 [0,2,0,0,0,0|1,0,0]=3 15491 B13R1.1511 CN(CCO)c1ccc(cc1Cl)Cl 34a_114849113696_100000211926 [0,2,0,0,0,0|1,0,0]=3 15492 B13R1.1511 CN(CCO)c1ccc(cc1F)Br 2230a_100000743884_100000211926 [0,2,0,0,0,0|1,1,0]=4 15493 B13R1.1511 CN(CCO)c1ccc(cc1F)Br 269982a_100000743884_100000211926 [0,2,0,0,0,0|1,1,0]=4 15494 B13R1.1511 CN(CCO)c1ccc(cc1F)Br 34a_100000743884_100000211926 [0,2,0,0,0,0|1,1,0]=4 15495 B13R1.1511 CN(CCO)c1ccc(cc1F)F 2230a_100020633734_100000211926 [0,2,0,0,0,0|1,1,0]=4 15496 B13R1.1511 CN(CCO)c1ccc(cc1F)F 269982a_100000692795_200000210301 [0,2,0,0,0,0|1,1,0]=4 15497 B13R1.1511 CN(CCO)c1ccc(cc1F)F 269982a_100020633734_100000211926 [0,2,0,0,0,0|1,1,0]=4 15498 B13R1.1511 CN(CCO)c1ccc(cc1F)F 34a_100000692795_200000210301 [0,2,0,0,0,0|1,1,0]=4 15499 B13R1.1511 CN(CCO)c1ccc(cc1F)F 34a_100020633734_100000211926 [0,2,0,0,0,0|1,1,0]=4 15500 B13R1.1511 CN(CCO)c1ccc(cc1F)F 38a_100020633734_100000211926 [0,2,0,0,0,0|1,1,0]=4 15501 B13R1.1511 CN(CCO)c1ccc(cc1F)I 269982a_114948340911_100000211926 [0,2,0,0,0,0|1,1,0]=4 15502 B13R1.1511 CN(CCO)c1ccc(cc1F)I 34a_114948340911_100000211926 [0,2,0,0,0,0|1,1,0]=4 15503 B13R1.1511 CN(CCO)c1ccc(cc1F)I 38a_114948340911_100000211926 [0,2,0,0,0,0|1,1,0]=4 15504 B13R1.1511 Cc1cc(ccc1C(=O)CCF)Cl 1458a_100000688705_100011217306 [0,2,0,0,0,0|2,0,0]=4 15505 B13R1.1511 Cc1cc(ccc1C(=O)CCO)Br 1458a_100000741311_100000211926 [0,2,0,0,0,0|1,1,0]=4 15506 B13R1.1511 Cc1cc(ccc1C(=O)CCO)Cl 1458a_100000688705_100000211926 [0,2,0,0,0,0|1,0,0]=3 15507 B13R1.1511 Cc1cc(ccc1C(=O)CCO)F 1458a_100000686989_100000211926 [0,2,0,0,0,0|1,1,0]=4 15508 B13R1.1511 Cc1cc(ccc1C(=O)CCO)I 1458a_100010189873_100000211926 [0,2,0,0,0,0|1,1,0]=4 15509 B13R1.1511 Cc1cc(ccc1C(=O)CCO)O 1458a_100000692822_100000211926 [0,2,0,0,0,0|2,0,0]=4 15510 B13R1.1511 Cc1cc(ccc1N(C)CCF)Cl 2230a_114849113698_100011217306 [0,2,0,0,0,0|2,0,0]=4 15511 B13R1.1511 Cc1cc(ccc1N(C)CCF)Cl 269982a_114849113698_100011217306 [0,2,0,0,0,0|2,0,0]=4 15512 B13R1.1511 Cc1cc(ccc1N(C)CCF)Cl 34a_114849113698_100011217306 [0,2,0,0,0,0|2,0,0]=4 15513 B13R1.1511 Cc1cc(ccc1N(C)CCF)Cl 38a_114849113698_100011217306 [0,2,0,0,0,0|2,0,0]=4 15514 B13R1.1511 Cc1cc(ccc1N(C)CCO)Br 2230a_100000221803_100000211926 [0,2,0,0,0,0|1,1,0]=4 15515 B13R1.1511 Cc1cc(ccc1N(C)CCO)Br 269982a_100000221803_100000211926 [0,2,0,0,0,0|1,1,0]=4 15516 B13R1.1511 Cc1cc(ccc1N(C)CCO)Br 34a_100000221803_100000211926 [0,2,0,0,0,0|1,1,0]=4 15517 B13R1.1511 Cc1cc(ccc1N(C)CCO)Cl 2230a_114849113698_100000211926 [0,2,0,0,0,0|1,0,0]=3 15518 B13R1.1511 Cc1cc(ccc1N(C)CCO)Cl 269982a_114849113698_100000211926 [0,2,0,0,0,0|1,0,0]=3 15519 B13R1.1511 Cc1cc(ccc1N(C)CCO)Cl 34a_114849113698_100000211926 [0,2,0,0,0,0|1,0,0]=3 15520 B13R1.1511 Cc1cc(ccc1N(C)CCO)Cl 38a_114849113698_100000211926 [0,2,0,0,0,0|1,0,0]=3 15521 B13R1.1511 Cc1cc(ccc1N(C)CCO)O 269982a_100161107805_100000211926 [0,2,0,0,0,0|2,0,0]=4 15522 B13R1.1511 Cc1cc(ccc1N(C)CCO)O 34a_100161107805_100000211926 [0,2,0,0,0,0|2,0,0]=4 15523 B13R1.1511 Cc1ccc(c(c1)Br)C(=O)CCO 1458a_100000685072_100000211926 [0,2,0,0,0,0|2,0,0]=4 15524 B13R1.1511 Cc1ccc(c(c1)Br)N(C)CCO 2230a_100000221369_100000211926 [0,2,0,0,0,0|2,0,0]=4 15525 B13R1.1511 Cc1ccc(c(c1)Br)N(C)CCO 269982a_100000221369_100000211926 [0,2,0,0,0,0|2,0,0]=4 15526 B13R1.1511 Cc1ccc(c(c1)Br)N(C)CCO 34a_100000221369_100000211926 [0,2,0,0,0,0|2,0,0]=4 15527 B13R1.1511 Cc1ccc(c(c1)C)C(=O)CCO 1458a_100000211164_100000211926 [0,2,0,0,0,0|2,0,0]=4 15528 B13R1.1511 Cc1ccc(c(c1)Cl)C(=O)CCO 1458a_100000766932_100000211926 [0,2,0,0,0,0|2,0,0]=4 15529 B13R1.1511 Cc1ccc(c(c1)F)C(=O)CCO 1458a_100000766033_100000211926 [0,2,0,0,0,0|2,0,0]=4 15530 B13R1.1511 Cc1ccc(c(c1)I)C(=O)CCO 1458a_100009999607_100000211926 [0,2,0,0,0,0|2,0,0]=4 15531 B13R1.1511 Cc1ccc(c(c1)O)C(=O)CCO 1458a_100000212137_100000211926 [0,2,0,0,0,0|2,0,0]=4 15532 B13R1.1511 O=C(CCF)c1ccc(cc1Br)Cl 1458a_100000766353_100011217306 [0,2,0,0,0,0|2,0,0]=4 15533 B13R1.1511 O=C(CCF)c1ccc(cc1Cl)Cl 1458a_100000185840_100011217306 [0,2,0,0,0,0|2,0,0]=4 15534 B13R1.1511 O=C(CCF)c1ccc(cc1F)Cl 1458a_100000212326_100011217306 [0,2,0,0,0,0|2,0,0]=4 15535 B13R1.1511 O=C(CCF)c1ccc(cc1I)Cl 1458a_100000739380_100011217306 [0,2,0,0,0,0|2,0,0]=4 15536 B13R1.1511 O=C(CCF)c1ccc(cc1O)Cl 1458a_100000188622_100011217306 [0,2,0,0,0,0|2,0,0]=4 15537 B13R1.1511 O=C(CCO)c1ccc(cc1Br)Br 1458a_100000762965_100000211926 [0,2,0,0,0,0|1,1,0]=4 15538 B13R1.1511 O=C(CCO)c1ccc(cc1Br)Cl 1458a_100000766353_100000211926 [0,2,0,0,0,0|1,0,0]=3 15539 B13R1.1511 O=C(CCO)c1ccc(cc1Br)F 1458a_100000212304_100000211926 [0,2,0,0,0,0|1,1,0]=4 15540 B13R1.1511 O=C(CCO)c1ccc(cc1Br)I 1458a_100012360512_100000211926 [0,2,0,0,0,0|1,1,0]=4 15541 B13R1.1511 O=C(CCO)c1ccc(cc1Br)O 1458a_100012344906_100000211926 [0,2,0,0,0,0|2,0,0]=4 15542 B13R1.1511 O=C(CCO)c1ccc(cc1Cl)Br 1458a_100000741628_100000211926 [0,2,0,0,0,0|1,1,0]=4 15543 B13R1.1511 O=C(CCO)c1ccc(cc1Cl)Cl 1458a_100000185840_100000211926 [0,2,0,0,0,0|1,0,0]=3 15544 B13R1.1511 O=C(CCO)c1ccc(cc1Cl)F 1458a_100000211397_100000211926 [0,2,0,0,0,0|1,1,0]=4 15545 B13R1.1511 O=C(CCO)c1ccc(cc1Cl)I 1458a_100000751301_100000211926 [0,2,0,0,0,0|1,1,0]=4 15546 B13R1.1511 O=C(CCO)c1ccc(cc1Cl)O 1458a_100000702456_100000211926 [0,2,0,0,0,0|2,0,0]=4 15547 B13R1.1511 O=C(CCO)c1ccc(cc1F)Br 1458a_100000214689_100000211926 [0,2,0,0,0,0|1,1,0]=4 15548 B13R1.1511 O=C(CCO)c1ccc(cc1F)Cl 1458a_100000212326_100000211926 [0,2,0,0,0,0|1,0,0]=3 15549 B13R1.1511 O=C(CCO)c1ccc(cc1F)F 1458a_100000211022_100000211926 [0,2,0,0,0,0|1,1,0]=4 15550 B13R1.1511 O=C(CCO)c1ccc(cc1F)I 1458a_100000037189_100000211926 [0,2,0,0,0,0|1,1,0]=4 15551 B13R1.1511 O=C(CCO)c1ccc(cc1F)O 1458a_100000689029_100000211926 [0,2,0,0,0,0|2,0,0]=4 15552 B13R1.1511 O=C(CCO)c1ccc(cc1I)Br 1458a_100000751167_100000211926 [0,2,0,0,0,0|1,1,0]=4 15553 B13R1.1511 O=C(CCO)c1ccc(cc1I)Cl 1458a_100000739380_100000211926 [0,2,0,0,0,0|1,0,0]=3 15554 B13R1.1511 O=C(CCO)c1ccc(cc1I)F 1458a_100000739341_100000211926 [0,2,0,0,0,0|1,1,0]=4 15555 B13R1.1511 O=C(CCO)c1ccc(cc1O)Br 1458a_100000744433_100000211926 [0,2,0,0,0,0|1,1,0]=4 15556 B13R1.1511 O=C(CCO)c1ccc(cc1O)Cl 1458a_100000188622_100000211926 [0,2,0,0,0,0|1,0,0]=3 15557 B13R1.1511 O=C(CCO)c1ccc(cc1O)F 1458a_100000746061_100000211926 [0,2,0,0,0,0|1,1,0]=4 15558 B13R1.1511 O=C(CCO)c1ccc(cc1O)I 1458a_100000091984_100000211926 [0,2,0,0,0,0|1,1,0]=4 15559 B13R1.1511 O=C(CCO)c1ccc(cc1O)O 1458a_100000212172_100000211926 [0,2,0,0,0,0|2,0,0]=4 15560 B13R1.1511 [13CH3]N(CCO)c1ccc(cc1F)F 269982a_100000692795_200025704644 [0,2,0,0,0,0|1,1,0]=4 15561 B13R1.1511 [13CH3]N(CCO)c1ccc(cc1F)F 34a_100000692795_200025704644 [0,2,0,0,0,0|1,1,0]=4 15562 B13R1.3 C#Cc1ccc(cc1)NCC(C)O 34a_100011215031_100011218427 [0,2,0,0,0,0|2,0,0]=4 15563 B13R1.3 C#Cc1ccc(cc1)NC[C@@H](C)O 34a_100011215031_100009817552 [0,2,0,0,0,0|2,0,0]=4 15564 B13R1.3 C#Cc1ccc(nc1)OCC(C)O 34a_200009884252_100011218427 [0,2,0,0,0,0|2,0,0]=4 15565 B13R1.3 C#Cc1ccc(nc1)OC[C@@H](C)O 34a_200009884252_100009817552 [0,2,0,0,0,0|2,0,0]=4 15566 B13R1.3 C=Cc1ccc(cc1)NCC(C)O 34a_100011218248_100011218427 [0,2,0,0,0,0|2,0,0]=4 15567 B13R1.3 C=Cc1ccc(cc1)NC[C@@H](C)O 34a_100011218248_100009817552 [0,2,0,0,0,0|2,0,0]=4 15568 B13R1.3 C=Cc1ccc(cc1)OCC(C)C 271570a_100011290941_200000169949 [0,2,0,0,0,0|2,0,0]=4 15569 B13R1.3 C=Cc1ccc(cc1)OCC(C)C 34a_100000189437_100000210624 [0,2,0,0,0,0|2,0,0]=4 15570 B13R1.3 C=Cc1ccc(cc1)OCC(C)C 7a_100000189437_100000210760 [0,2,0,0,0,0|2,0,0]=4 15571 B13R1.3 C=Cc1ccc(cc1)OCC(C)O 34a_100000189437_100011218427 [0,2,0,0,0,0|1,0,0]=3 15572 B13R1.3 C=Cc1ccc(cc1)OCC(C)O 7a_100000189437_100011218427 [0,2,0,0,0,0|1,0,0]=3 15573 B13R1.3 C=Cc1ccc(cc1)OCC(F)F 34a_100000189437_100011934356 [0,2,0,0,0,0|2,0,0]=4 15574 B13R1.3 C=Cc1ccc(cc1)OCC(F)F 7a_100000189437_100011934356 [0,2,0,0,0,0|2,0,0]=4 15575 B13R1.3 C=Cc1ccc(cc1)OC[C@@H](C)O 34a_100000189437_100009817552 [0,2,0,0,0,0|1,0,0]=3 15576 B13R1.3 C=Cc1ccc(cc1)OC[C@@H](C)O 7a_100000189437_100009817552 [0,2,0,0,0,0|1,0,0]=3 15577 B13R1.3 C=Cc1ccc(cc1)SCC(C)O 62a_100000748128_100011218427 [0,2,0,0,0,0|1,1,0]=4 15578 B13R1.3 C=Cc1ccc(cc1)SCC(C)O 62a_100011218427_100000748128 [0,2,0,0,0,0|1,1,0]=4 15579 B13R1.3 C=Cc1ccc(cc1)SC[C@@H](C)O 62a_100000748128_100009817552 [0,2,0,0,0,0|1,1,0]=4 15580 B13R1.3 C=Cc1ccc(cc1)SC[C@@H](C)O 62a_100009817552_100000748128 [0,2,0,0,0,0|1,1,0]=4 15581 B13R1.3 CC(C)COc1ccc(cc1)C#N 34a_100000210344_100000210624 [0,2,0,0,0,0|2,0,0]=4 15582 B13R1.3 CC(C)COc1ccc(cc1)C#N 7a_100000210344_100000210760 [0,2,0,0,0,0|2,0,0]=4 15583 B13R1.3 CC(C)COc1ccc(cc1)CN 34a_100000185549_100000210624 [0,2,0,0,0,0|2,0,0]=4 15584 B13R1.3 CC(C)COc1ccc(cc1)CO 34a_100000211755_100000210624 [0,2,0,0,0,0|2,0,0]=4 15585 B13R1.3 CC(C)COc1ccc(cc1)N[13CH3] 34a_200000243789_200025704644 [0,2,0,0,0,0|2,0,0]=4 15586 B13R1.3 CC(C)COc1ccc(cc1)S[13CH3] 62a_200000169949_200025704644 [0,2,0,0,0,0|2,0,0]=4 15587 B13R1.3 CC(C)COc1ccc(cc1)S[13CH3] 62a_200025704644_200000169949 [0,2,0,0,0,0|2,0,0]=4 15588 B13R1.3 CC(O)CCc1ccc(cc1)O[13CH3] 34a_100000189425_200025704644 [0,2,0,0,0,0|2,0,0]=4 15589 B13R1.3 CC(O)CCc1ccc(cc1)O[13CH3] 7a_100000189425_200025704644 [0,2,0,0,0,0|2,0,0]=4 15590 B13R1.3 CC(O)CNc1ccc(cc1)C#N 34a_100000185469_100011218427 [0,2,0,0,0,0|2,0,0]=4 15591 B13R1.3 CC(O)CNc1ccc(cc1)CO 2230a_100011215238_100011218427 [0,2,0,0,0,0|2,0,0]=4 15592 B13R1.3 CC(O)CNc1ccc(cc1)CO 34a_100011215238_100011218427 [0,2,0,0,0,0|2,0,0]=4 15593 B13R1.3 CC(O)COc1ccc(cc1)C#N 34a_100000210344_100011218427 [0,2,0,0,0,0|1,0,0]=3 15594 B13R1.3 CC(O)COc1ccc(cc1)C#N 7a_100000210344_100011218427 [0,2,0,0,0,0|1,0,0]=3 15595 B13R1.3 CC(O)COc1ccc(cc1)CN 34a_100000185549_100011218427 [0,2,0,0,0,0|1,0,0]=3 15596 B13R1.3 CC(O)COc1ccc(cc1)CO 34a_100000211755_100011218427 [0,2,0,0,0,0|1,0,0]=3 15597 B13R1.3 CC(O)COc1ccc(cn1)CN 34a_100000757128_100011218427 [0,2,0,0,0,0|2,0,0]=4 15598 B13R1.3 CC(O)COc1ccc(nc1)C#N 34a_100011934750_100011218427 [0,2,0,0,0,0|2,0,0]=4 15599 B13R1.3 CC(O)COc1ccc(nc1)C#N 7a_100011934750_100011218427 [0,2,0,0,0,0|2,0,0]=4 15600 B13R1.3 CC(O)COc1ccc(nc1)CN 34a_100020605196_100011218427 [0,2,0,0,0,0|2,0,0]=4 15601 B13R1.3 CC(O)COc1ccc(nc1)CO 34a_103436540053_100011218427 [0,2,0,0,0,0|2,0,0]=4 15602 B13R1.3 CC(O)CSc1ccc(cc1)C#N 62a_100011218427_100000184291 [0,2,0,0,0,0|1,1,0]=4 15603 B13R1.3 CC(O)CSc1ccc(cc1)C=O 62a_100000188517_100011218427 [0,2,0,0,0,0|1,1,0]=4 15604 B13R1.3 CC(O)CSc1ccc(cc1)C=O 62a_100011218427_100000188517 [0,2,0,0,0,0|1,1,0]=4 15605 B13R1.3 CC(O)CSc1ccc(cc1)CF 62a_100010268989_100011218427 [0,2,0,0,0,0|0,2,0]=4 15606 B13R1.3 CC(O)CSc1ccc(cc1)CF 62a_100011218427_100010268989 [0,2,0,0,0,0|0,2,0]=4 15607 B13R1.3 CC(O)CSc1ccc(cc1)CN 62a_100011218427_100016989417 [0,2,0,0,0,0|1,1,0]=4 15608 B13R1.3 CC(O)CSc1ccc(cc1)CN 62a_100016989417_100011218427 [0,2,0,0,0,0|1,1,0]=4 15609 B13R1.3 CC(O)CSc1ccc(cc1)CO 62a_100000690907_100011218427 [0,2,0,0,0,0|1,1,0]=4 15610 B13R1.3 CC(O)CSc1ccc(cc1)CO 62a_100011218427_100000690907 [0,2,0,0,0,0|1,1,0]=4 15611 B13R1.3 CC(O)CSc1ccc(cc1)NN 62a_100011218427_100016988836 [0,2,0,0,0,0|1,1,0]=4 15612 B13R1.3 CC(O)CSc1ccc(cc1)NN 62a_100016988836_100011218427 [0,2,0,0,0,0|1,1,0]=4 15613 B13R1.3 CCc1ccc(cc1)NCC(C)O 2230a_100000211069_100011218427 [0,2,0,0,0,0|2,0,0]=4 15614 B13R1.3 CCc1ccc(cc1)NCC(C)O 34a_100000211069_100011218427 [0,2,0,0,0,0|2,0,0]=4 15615 B13R1.3 CCc1ccc(cc1)NC[C@@H](C)O 2230a_100000211069_100009817552 [0,2,0,0,0,0|2,0,0]=4 15616 B13R1.3 CCc1ccc(cc1)NC[C@@H](C)O 34a_100000211069_100009817552 [0,2,0,0,0,0|2,0,0]=4 15617 B13R1.3 CCc1ccc(cc1)OCC(C)C 34a_100000211359_100000210624 [0,2,0,0,0,0|2,0,0]=4 15618 B13R1.3 CCc1ccc(cc1)OCC(C)C 7a_100000211359_100000210760 [0,2,0,0,0,0|2,0,0]=4 15619 B13R1.3 CCc1ccc(cc1)OCC(C)O 34a_100000211359_100011218427 [0,2,0,0,0,0|1,0,0]=3 15620 B13R1.3 CCc1ccc(cc1)OCC(C)O 7a_100000211359_100011218427 [0,2,0,0,0,0|1,0,0]=3 15621 B13R1.3 CCc1ccc(cc1)OCC(F)F 34a_100000211359_100011934356 [0,2,0,0,0,0|2,0,0]=4 15622 B13R1.3 CCc1ccc(cc1)OCC(F)F 7a_100000211359_100011934356 [0,2,0,0,0,0|2,0,0]=4 15623 B13R1.3 CCc1ccc(cc1)OC[C@@H](C)O 34a_100000211359_100009817552 [0,2,0,0,0,0|1,0,0]=3 15624 B13R1.3 CCc1ccc(cc1)OC[C@@H](C)O 7a_100000211359_100009817552 [0,2,0,0,0,0|1,0,0]=3 15625 B13R1.3 CCc1ccc(cc1)SCC(C)O 62a_100011215824_100011218427 [0,2,0,0,0,0|1,1,0]=4 15626 B13R1.3 CCc1ccc(cc1)SCC(C)O 62a_100011218427_100011215824 [0,2,0,0,0,0|1,1,0]=4 15627 B13R1.3 CCc1ccc(cc1)SC[C@@H](C)O 62a_100009817552_100011215824 [0,2,0,0,0,0|1,1,0]=4 15628 B13R1.3 CCc1ccc(cc1)SC[C@@H](C)O 62a_100011215824_100009817552 [0,2,0,0,0,0|1,1,0]=4 15629 B13R1.3 CNc1ccc(cc1)OCC(C)C 27a_100102657272_200000169949 [0,2,0,0,0,0|2,0,0]=4 15630 B13R1.3 CNc1ccc(cc1)OCC(C)C 34a_100000182112_100000210624 [0,2,0,0,0,0|2,0,0]=4 15631 B13R1.3 CNc1ccc(cc1)OCC(C)C 34a_200000243789_200000210301 [0,2,0,0,0,0|2,0,0]=4 15632 B13R1.3 CNc1ccc(cc1)OCC(C)O 34a_100000182112_100011218427 [0,2,0,0,0,0|1,0,0]=3 15633 B13R1.3 CNc1ccc(cc1)OCC(F)F 2230a_100000766895_200000210301 [0,2,0,0,0,0|2,0,0]=4 15634 B13R1.3 CNc1ccc(cc1)OCC(F)F 34a_100000182112_100011934356 [0,2,0,0,0,0|2,0,0]=4 15635 B13R1.3 CNc1ccc(cc1)OCC(F)F 34a_100000766895_200000210301 [0,2,0,0,0,0|2,0,0]=4 15636 B13R1.3 CNc1ccc(cc1)OC[C@@H](C)O 34a_100000182112_100009817552 [0,2,0,0,0,0|1,0,0]=3 15637 B13R1.3 CNc1ccc(cc1)SCC(C)O 62a_100000743151_100011218427 [0,2,0,0,0,0|1,1,0]=4 15638 B13R1.3 CNc1ccc(cc1)SCC(C)O 62a_100011218427_100000743151 [0,2,0,0,0,0|1,1,0]=4 15639 B13R1.3 CNc1ccc(cc1)SC[C@@H](C)O 62a_100000743151_100009817552 [0,2,0,0,0,0|1,1,0]=4 15640 B13R1.3 CNc1ccc(cc1)SC[C@@H](C)O 62a_100009817552_100000743151 [0,2,0,0,0,0|1,1,0]=4 15641 B13R1.3 COc1ccc(cc1)CCC(C)O 34a_100000189425_200000210301 [0,2,0,0,0,0|2,0,0]=4 15642 B13R1.3 COc1ccc(cc1)CCC(C)O 7a_100000189425_200000210301 [0,2,0,0,0,0|2,0,0]=4 15643 B13R1.3 COc1ccc(cc1)NCC(C)O 34a_100000184247_100011218427 [0,2,0,0,0,0|2,0,0]=4 15644 B13R1.3 COc1ccc(cc1)NC[C@@H](C)O 34a_100000184247_100009817552 [0,2,0,0,0,0|2,0,0]=4 15645 B13R1.3 COc1ccc(cc1)OCC(C)C 34a_100000210503_100000210624 [0,2,0,0,0,0|2,0,0]=4 15646 B13R1.3 COc1ccc(cc1)OCC(C)O 34a_100000210503_100011218427 [0,2,0,0,0,0|1,0,0]=3 15647 B13R1.3 COc1ccc(cc1)OCC(F)F 34a_100000210503_100011934356 [0,2,0,0,0,0|2,0,0]=4 15648 B13R1.3 COc1ccc(cc1)OC[C@@H](C)O 34a_100000210503_100009817552 [0,2,0,0,0,0|1,0,0]=3 15649 B13R1.3 COc1ccc(cc1)SCC(C)O 62a_100011218427_100000171711 [0,2,0,0,0,0|1,1,0]=4 15650 B13R1.3 COc1ccc(cc1)SC[C@@H](C)O 62a_100009817552_100000171711 [0,2,0,0,0,0|1,1,0]=4 15651 B13R1.3 COc1ccc(cn1)OCC(C)O 34a_100011934560_100011218427 [0,2,0,0,0,0|2,0,0]=4 15652 B13R1.3 COc1ccc(cn1)OC[C@@H](C)O 34a_100011934560_100009817552 [0,2,0,0,0,0|2,0,0]=4 15653 B13R1.3 COc1ccc(nc1)OCC(C)O 34a_100012002028_100011218427 [0,2,0,0,0,0|2,0,0]=4 15654 B13R1.3 COc1ccc(nc1)OC[C@@H](C)O 34a_100012002028_100009817552 [0,2,0,0,0,0|2,0,0]=4 15655 B13R1.3 CSc1ccc(cc1)NCC(C)O 34a_100000212337_100011218427 [0,2,0,0,0,0|2,0,0]=4 15656 B13R1.3 CSc1ccc(cc1)NC[C@@H](C)O 34a_100000212337_100009817552 [0,2,0,0,0,0|2,0,0]=4 15657 B13R1.3 CSc1ccc(cc1)OCC(C)C 34a_100000211864_100000210624 [0,2,0,0,0,0|2,0,0]=4 15658 B13R1.3 CSc1ccc(cc1)OCC(C)C 62a_200000169949_200000210301 [0,2,0,0,0,0|2,0,0]=4 15659 B13R1.3 CSc1ccc(cc1)OCC(C)C 62a_200000210301_200000169949 [0,2,0,0,0,0|2,0,0]=4 15660 B13R1.3 CSc1ccc(cc1)OCC(C)O 34a_100000211864_100011218427 [0,2,0,0,0,0|1,0,0]=3 15661 B13R1.3 CSc1ccc(cc1)OCC(F)F 34a_100000211864_100011934356 [0,2,0,0,0,0|2,0,0]=4 15662 B13R1.3 CSc1ccc(cc1)OC[C@@H](C)O 34a_100000211864_100009817552 [0,2,0,0,0,0|1,0,0]=3 15663 B13R1.3 CSc1ccc(cc1)SCC(C)O 62a_100011218427_100011263217 [0,2,0,0,0,0|1,1,0]=4 15664 B13R1.3 CSc1ccc(cc1)SCC(C)O 62a_100011263217_100011218427 [0,2,0,0,0,0|1,1,0]=4 15665 B13R1.3 CSc1ccc(cc1)SC[C@@H](C)O 62a_100009817552_100011263217 [0,2,0,0,0,0|1,1,0]=4 15666 B13R1.3 CSc1ccc(cc1)SC[C@@H](C)O 62a_100011263217_100009817552 [0,2,0,0,0,0|1,1,0]=4 15667 B13R1.3 C[C@@H](O)CNc1ccc(cc1)C#N 34a_100000185469_100009817552 [0,2,0,0,0,0|2,0,0]=4 15668 B13R1.3 C[C@@H](O)CNc1ccc(cc1)CO 2230a_100011215238_100009817552 [0,2,0,0,0,0|2,0,0]=4 15669 B13R1.3 C[C@@H](O)CNc1ccc(cc1)CO 34a_100011215238_100009817552 [0,2,0,0,0,0|2,0,0]=4 15670 B13R1.3 C[C@@H](O)COc1ccc(cc1)C#N 34a_100000210344_100009817552 [0,2,0,0,0,0|1,0,0]=3 15671 B13R1.3 C[C@@H](O)COc1ccc(cc1)C#N 7a_100000210344_100009817552 [0,2,0,0,0,0|1,0,0]=3 15672 B13R1.3 C[C@@H](O)COc1ccc(cc1)CN 34a_100000185549_100009817552 [0,2,0,0,0,0|1,0,0]=3 15673 B13R1.3 C[C@@H](O)COc1ccc(cc1)CO 34a_100000211755_100009817552 [0,2,0,0,0,0|1,0,0]=3 15674 B13R1.3 C[C@@H](O)COc1ccc(cn1)CN 34a_100000757128_100009817552 [0,2,0,0,0,0|2,0,0]=4 15675 B13R1.3 C[C@@H](O)COc1ccc(nc1)C#N 34a_100011934750_100009817552 [0,2,0,0,0,0|2,0,0]=4 15676 B13R1.3 C[C@@H](O)COc1ccc(nc1)C#N 7a_100011934750_100009817552 [0,2,0,0,0,0|2,0,0]=4 15677 B13R1.3 C[C@@H](O)COc1ccc(nc1)CN 34a_100020605196_100009817552 [0,2,0,0,0,0|2,0,0]=4 15678 B13R1.3 C[C@@H](O)COc1ccc(nc1)CO 34a_103436540053_100009817552 [0,2,0,0,0,0|2,0,0]=4 15679 B13R1.3 C[C@@H](O)CSc1ccc(cc1)C#N 62a_100009817552_100000184291 [0,2,0,0,0,0|1,1,0]=4 15680 B13R1.3 C[C@@H](O)CSc1ccc(cc1)C=O 62a_100000188517_100009817552 [0,2,0,0,0,0|1,1,0]=4 15681 B13R1.3 C[C@@H](O)CSc1ccc(cc1)C=O 62a_100009817552_100000188517 [0,2,0,0,0,0|1,1,0]=4 15682 B13R1.3 C[C@@H](O)CSc1ccc(cc1)CF 62a_100009817552_100010268989 [0,2,0,0,0,0|0,2,0]=4 15683 B13R1.3 C[C@@H](O)CSc1ccc(cc1)CF 62a_100010268989_100009817552 [0,2,0,0,0,0|0,2,0]=4 15684 B13R1.3 C[C@@H](O)CSc1ccc(cc1)CN 62a_100009817552_100016989417 [0,2,0,0,0,0|1,1,0]=4 15685 B13R1.3 C[C@@H](O)CSc1ccc(cc1)CN 62a_100016989417_100009817552 [0,2,0,0,0,0|1,1,0]=4 15686 B13R1.3 C[C@@H](O)CSc1ccc(cc1)CO 62a_100000690907_100009817552 [0,2,0,0,0,0|1,1,0]=4 15687 B13R1.3 C[C@@H](O)CSc1ccc(cc1)CO 62a_100009817552_100000690907 [0,2,0,0,0,0|1,1,0]=4 15688 B13R1.3 C[C@@H](O)CSc1ccc(cc1)NN 62a_100009817552_100016988836 [0,2,0,0,0,0|1,1,0]=4 15689 B13R1.3 C[C@@H](O)CSc1ccc(cc1)NN 62a_100016988836_100009817552 [0,2,0,0,0,0|1,1,0]=4 15690 B13R1.3 N#Cc1ccc(cc1)OCC(F)F 34a_100000210344_100011934356 [0,2,0,0,0,0|2,0,0]=4 15691 B13R1.3 N#Cc1ccc(cc1)OCC(F)F 7a_100000210344_100011934356 [0,2,0,0,0,0|2,0,0]=4 15692 B13R1.3 NCc1ccc(cc1)OCC(F)F 34a_100000185549_100011934356 [0,2,0,0,0,0|2,0,0]=4 15693 B13R1.3 OCc1ccc(cc1)OCC(F)F 34a_100000211755_100011934356 [0,2,0,0,0,0|2,0,0]=4 15694 B13R1.3 [13CH3]Nc1ccc(cc1)OCC(F)F 2230a_100000766895_200025704644 [0,2,0,0,0,0|2,0,0]=4 15695 B13R1.3 [13CH3]Nc1ccc(cc1)OCC(F)F 34a_100000766895_200025704644 [0,2,0,0,0,0|2,0,0]=4 15696 B13R1.133 CC(=O)C(C)Oc1ccc(cc1)Cl 1458a_100000184027_200000210301 [0,2,0,0,0,0|0,0,2]=4 15697 B13R1.133 CC(=O)C(C)Oc1ccc(cc1)Cl 7a_100000210216_100000179758 [0,2,0,0,0,0|0,0,2]=4 15698 B13R1.133 CC(Oc1ccc(cc1)Cl)C(=O)N 34a_100000210216_100000702099 [0,2,0,0,0,0|0,0,2]=4 15699 B13R1.133 CC(Oc1ccc(cc1)Cl)C(=O)N 7a_100000210216_100000702099 [0,2,0,0,0,0|0,0,2]=4 15700 B13R1.133 CC(Oc1ccc(cc1)Cl)C(=O)[13CH3] 1458a_100000184027_200025704644 [0,2,0,0,0,0|0,0,2]=4 15701 B13R1.133 C[C@@H](O)C(=O)Cc1ccc(cc1)Cl 1458a_100000717761_100000694040 [0,2,0,0,0,0|1,0,1]=4 15702 B13R1.133 C[C@@H](O)C(=O)Nc1ccc(cc1)Cl 22a_100000210052_100000717761 [0,2,0,0,0,0|1,0,1]=4 15703 B13R1.133 C[C@H](O)C(=O)Cc1ccc(cc1)Cl 1458a_217856618621_100000694040 [0,2,0,0,0,0|1,0,1]=4 15704 B13R1.133 C[C@H](O)C(=O)Nc1ccc(cc1)Cl 1626a_100000210052_217856618621 [0,2,0,0,0,0|1,0,1]=4 15705 B13R1.133 C[C@H](O)C(=O)Nc1ccc(cc1)Cl 22a_100000210052_217856618621 [0,2,0,0,0,0|1,0,1]=4 15706 B13R1.133 NC(=O)C(F)Oc1ccc(cc1)Cl 34a_100000210216_100009813875 [0,2,0,0,0,0|0,0,2]=4 15707 B13R1.133 NC(=O)C(F)Oc1ccc(cc1)Cl 7a_100000210216_100009813875 [0,2,0,0,0,0|0,0,2]=4 15708 B13R1.133 O=C(Cc1ccc(cc1)Cl)C(O)O 1458a_100000233687_100000694040 [0,2,0,0,0,0|1,0,1]=4 15709 B13R1.133 O=C(Nc1ccc(cc1)Cl)C(O)O 22a_100000210052_100000233687 [0,2,0,0,0,0|1,0,1]=4 15710 B13R1.133 O=C([O-])C(F)Oc1ccc(cc1)Cl 34a_100000210216_100020610796 [0,2,0,0,0,0|0,0,2]=4 15711 B13R1.164 C=C(C)COc1ccc(cc1Br)Cl 34a_100000211998_100000748629 [0,2,0,0,0,0|1,0,1]=4 15712 B13R1.164 C=C(C)COc1ccc(cc1Br)Cl 7a_100000211998_100000748629 [0,2,0,0,0,0|1,0,1]=4 15713 B13R1.164 C=C(C)COc1ccc(cc1C)Cl 34a_100000211091_100000748629 [0,2,0,0,0,0|1,0,1]=4 15714 B13R1.164 C=C(C)COc1ccc(cc1C)Cl 7a_100000211091_100000748629 [0,2,0,0,0,0|1,0,1]=4 15715 B13R1.164 C=C(C)COc1ccc(cc1Cl)Cl 34a_100015191787_100000748629 [0,2,0,0,0,0|1,0,1]=4 15716 B13R1.164 C=C(C)COc1ccc(cc1Cl)Cl 7a_100015191787_100000748629 [0,2,0,0,0,0|1,0,1]=4 15717 B13R1.164 C=C(C)COc1ccc(cc1F)Cl 34a_100000230166_100000748629 [0,2,0,0,0,0|1,0,1]=4 15718 B13R1.164 C=C(C)COc1ccc(cc1F)Cl 7a_100000230166_100000748629 [0,2,0,0,0,0|1,0,1]=4 15719 B13R1.164 C=C(C)COc1ccc(cc1I)Cl 34a_100011356953_100000748629 [0,2,0,0,0,0|1,0,1]=4 15720 B13R1.164 C=C(C)COc1ccc(cc1I)Cl 7a_100011356953_100000748629 [0,2,0,0,0,0|1,0,1]=4 15721 B13R1.164 C=C(C)COc1ccc(cc1N)Cl 34a_100000210500_100000748629 [0,2,0,0,0,0|1,0,1]=4 15722 B13R1.164 C=C(C)COc1ccc(cc1N)Cl 7a_100000210500_100000748629 [0,2,0,0,0,0|1,0,1]=4 15723 B13R1.164 C=C(F)COc1ccc(cc1Br)Cl 34a_100000211998_100009893438 [0,2,0,0,0,0|1,0,1]=4 15724 B13R1.164 C=C(F)COc1ccc(cc1Br)Cl 7a_100000211998_100000042424 [0,2,0,0,0,0|1,0,1]=4 15725 B13R1.164 C=C(F)COc1ccc(cc1C)Cl 34a_100000211091_100009893438 [0,2,0,0,0,0|1,0,1]=4 15726 B13R1.164 C=C(F)COc1ccc(cc1C)Cl 7a_100000211091_100000042424 [0,2,0,0,0,0|1,0,1]=4 15727 B13R1.164 C=C(F)COc1ccc(cc1Cl)Cl 34a_100015191787_100009893438 [0,2,0,0,0,0|1,0,1]=4 15728 B13R1.164 C=C(F)COc1ccc(cc1Cl)Cl 7a_100015191787_100000042424 [0,2,0,0,0,0|1,0,1]=4 15729 B13R1.164 C=C(F)COc1ccc(cc1F)Cl 34a_100000230166_100009893438 [0,2,0,0,0,0|1,0,1]=4 15730 B13R1.164 C=C(F)COc1ccc(cc1F)Cl 7a_100000230166_100000042424 [0,2,0,0,0,0|1,0,1]=4 15731 B13R1.164 C=C(F)COc1ccc(cc1I)Cl 34a_100011356953_100009893438 [0,2,0,0,0,0|1,0,1]=4 15732 B13R1.164 C=C(F)COc1ccc(cc1I)Cl 7a_100011356953_100000042424 [0,2,0,0,0,0|1,0,1]=4 15733 B13R1.164 C=C(F)COc1ccc(cc1N)Cl 34a_100000210500_100009893438 [0,2,0,0,0,0|1,0,1]=4 15734 B13R1.164 C=C(F)COc1ccc(cc1N)Cl 7a_100000210500_100000042424 [0,2,0,0,0,0|1,0,1]=4 15735 B13R1.164 CC(=O)COc1ccc(cc1Br)Cl 1458a_100000184090_200000210301 [0,2,0,0,0,0|0,0,2]=4 15736 B13R1.164 CC(=O)COc1ccc(cc1C)Cl 1458a_100000182498_200000210301 [0,2,0,0,0,0|0,0,2]=4 15737 B13R1.164 CC(=O)COc1ccc(cc1Cl)Cl 1458a_100102647096_200000210301 [0,2,0,0,0,0|0,0,2]=4 15738 B13R1.164 CC(=O)COc1ccc(cc1F)Cl 1458a_100012771990_200000210301 [0,2,0,0,0,0|0,0,2]=4 15739 B13R1.164 CC(=O)COc1ccc(cc1O)Cl 1458a_100010174420_200000210301 [0,2,0,0,0,0|0,0,2]=4 15740 B13R1.164 CC(C)CNc1ccc(cc1Br)Cl 34a_100000752454_100000210624 [0,2,0,0,0,0|2,0,0]=4 15741 B13R1.164 CC(C)CNc1ccc(cc1Cl)Cl 34a_100000185861_100000210624 [0,2,0,0,0,0|2,0,0]=4 15742 B13R1.164 CC(C)CNc1ccc(cc1F)Cl 34a_100000211020_100000210624 [0,2,0,0,0,0|2,0,0]=4 15743 B13R1.164 CC(C)CNc1ccc(cc1I)Cl 34a_100000761889_100000210624 [0,2,0,0,0,0|2,0,0]=4 15744 B13R1.164 CC(C)CNc1ccc(cc1O)Cl 34a_100000185728_100000210624 [0,2,0,0,0,0|2,0,0]=4 15745 B13R1.164 CC(C)COc1ccc(cc1Br)Br 34a_100000188717_100000210624 [0,2,0,0,0,0|1,1,0]=4 15746 B13R1.164 CC(C)COc1ccc(cc1Br)Br 7a_100000188717_100000210760 [0,2,0,0,0,0|1,1,0]=4 15747 B13R1.164 CC(C)COc1ccc(cc1Br)Cl 34a_100000211998_100000210624 [0,2,0,0,0,0|1,0,0]=3 15748 B13R1.164 CC(C)COc1ccc(cc1Br)Cl 7a_100000211998_100000210760 [0,2,0,0,0,0|1,0,0]=3 15749 B13R1.164 CC(C)COc1ccc(cc1Br)F 34a_100000211999_100000210624 [0,2,0,0,0,0|1,1,0]=4 15750 B13R1.164 CC(C)COc1ccc(cc1Br)F 7a_100000211999_100000210760 [0,2,0,0,0,0|1,1,0]=4 15751 B13R1.164 CC(C)COc1ccc(cc1Br)I 34a_100012361655_100000210624 [0,2,0,0,0,0|1,1,0]=4 15752 B13R1.164 CC(C)COc1ccc(cc1Br)I 7a_100012361655_100000210760 [0,2,0,0,0,0|1,1,0]=4 15753 B13R1.164 CC(C)COc1ccc(cc1Br)N 34a_100011534360_100000210624 [0,2,0,0,0,0|2,0,0]=4 15754 B13R1.164 CC(C)COc1ccc(cc1Br)N 7a_100011534360_100000210760 [0,2,0,0,0,0|2,0,0]=4 15755 B13R1.164 CC(C)COc1ccc(cc1Cl)Br 34a_100000186472_100000210624 [0,2,0,0,0,0|1,1,0]=4 15756 B13R1.164 CC(C)COc1ccc(cc1Cl)Br 7a_100000186472_100000210760 [0,2,0,0,0,0|1,1,0]=4 15757 B13R1.164 CC(C)COc1ccc(cc1Cl)Cl 34a_100015191787_100000210624 [0,2,0,0,0,0|1,0,0]=3 15758 B13R1.164 CC(C)COc1ccc(cc1Cl)Cl 7a_100015191787_100000210760 [0,2,0,0,0,0|1,0,0]=3 15759 B13R1.164 CC(C)COc1ccc(cc1Cl)F 34a_100000212004_100000210624 [0,2,0,0,0,0|1,1,0]=4 15760 B13R1.164 CC(C)COc1ccc(cc1Cl)F 7a_100000212004_100000210760 [0,2,0,0,0,0|1,1,0]=4 15761 B13R1.164 CC(C)COc1ccc(cc1Cl)I 34a_100012360047_100000210624 [0,2,0,0,0,0|1,1,0]=4 15762 B13R1.164 CC(C)COc1ccc(cc1Cl)I 7a_100012360047_100000210760 [0,2,0,0,0,0|1,1,0]=4 15763 B13R1.164 CC(C)COc1ccc(cc1Cl)N 34a_100000744943_100000210624 [0,2,0,0,0,0|2,0,0]=4 15764 B13R1.164 CC(C)COc1ccc(cc1Cl)N 7a_100000744943_100000210760 [0,2,0,0,0,0|2,0,0]=4 15765 B13R1.164 CC(C)COc1ccc(cc1F)Br 34a_100000185481_100000210624 [0,2,0,0,0,0|1,1,0]=4 15766 B13R1.164 CC(C)COc1ccc(cc1F)Br 7a_100000185481_100000210760 [0,2,0,0,0,0|1,1,0]=4 15767 B13R1.164 CC(C)COc1ccc(cc1F)Cl 34a_100000230166_100000210624 [0,2,0,0,0,0|1,0,0]=3 15768 B13R1.164 CC(C)COc1ccc(cc1F)Cl 7a_100000230166_100000210760 [0,2,0,0,0,0|1,0,0]=3 15769 B13R1.164 CC(C)COc1ccc(cc1F)F 34a_100000230127_100000210624 [0,2,0,0,0,0|1,1,0]=4 15770 B13R1.164 CC(C)COc1ccc(cc1F)F 7a_100000230127_100000210760 [0,2,0,0,0,0|1,1,0]=4 15771 B13R1.164 CC(C)COc1ccc(cc1F)I 34a_100011356965_100000210624 [0,2,0,0,0,0|1,1,0]=4 15772 B13R1.164 CC(C)COc1ccc(cc1F)I 7a_100011356965_100000210760 [0,2,0,0,0,0|1,1,0]=4 15773 B13R1.164 CC(C)COc1ccc(cc1F)N 34a_100011220035_100000210624 [0,2,0,0,0,0|2,0,0]=4 15774 B13R1.164 CC(C)COc1ccc(cc1F)N 7a_100011220035_100000210760 [0,2,0,0,0,0|2,0,0]=4 15775 B13R1.164 CC(C)COc1ccc(cc1I)Br 34a_100012355227_100000210624 [0,2,0,0,0,0|1,1,0]=4 15776 B13R1.164 CC(C)COc1ccc(cc1I)Br 7a_100012355227_100000210760 [0,2,0,0,0,0|1,1,0]=4 15777 B13R1.164 CC(C)COc1ccc(cc1I)Cl 34a_100011356953_100000210624 [0,2,0,0,0,0|1,0,0]=3 15778 B13R1.164 CC(C)COc1ccc(cc1I)Cl 7a_100011356953_100000210760 [0,2,0,0,0,0|1,0,0]=3 15779 B13R1.164 CC(C)COc1ccc(cc1I)F 34a_100012355409_100000210624 [0,2,0,0,0,0|1,1,0]=4 15780 B13R1.164 CC(C)COc1ccc(cc1I)F 7a_100012355409_100000210760 [0,2,0,0,0,0|1,1,0]=4 15781 B13R1.164 CC(C)COc1ccc(cc1I)I 7a_100010001573_100000210760 [0,2,0,0,0,0|1,1,0]=4 15782 B13R1.164 CC(C)COc1ccc(cc1N)Br 34a_100000752626_100000210624 [0,2,0,0,0,0|1,1,0]=4 15783 B13R1.164 CC(C)COc1ccc(cc1N)Br 7a_100000752626_100000210760 [0,2,0,0,0,0|1,1,0]=4 15784 B13R1.164 CC(C)COc1ccc(cc1N)Cl 34a_100000210500_100000210624 [0,2,0,0,0,0|1,0,0]=3 15785 B13R1.164 CC(C)COc1ccc(cc1N)Cl 7a_100000210500_100000210760 [0,2,0,0,0,0|1,0,0]=3 15786 B13R1.164 CC(C)COc1ccc(cc1N)F 34a_100000759472_100000210624 [0,2,0,0,0,0|1,1,0]=4 15787 B13R1.164 CC(C)COc1ccc(cc1N)F 7a_100000759472_100000210760 [0,2,0,0,0,0|1,1,0]=4 15788 B13R1.164 CC(C)COc1ccc(cc1N)I 34a_100000753495_100000210624 [0,2,0,0,0,0|1,1,0]=4 15789 B13R1.164 CC(C)COc1ccc(cc1N)I 7a_100000753495_100000210760 [0,2,0,0,0,0|1,1,0]=4 15790 B13R1.164 CC(C)COc1ccc(cc1N)N 34a_100000725306_100000210624 [0,2,0,0,0,0|2,0,0]=4 15791 B13R1.164 CC(C)COc1ccc(nc1Br)Cl 34a_100010219353_100000210624 [0,2,0,0,0,0|2,0,0]=4 15792 B13R1.164 CC(C)COc1ccc(nc1Br)Cl 7a_100010219353_100000210760 [0,2,0,0,0,0|2,0,0]=4 15793 B13R1.164 CC(C)COc1ccc(nc1Cl)Cl 34a_100000101165_100000210624 [0,2,0,0,0,0|2,0,0]=4 15794 B13R1.164 CC(C)COc1ccc(nc1Cl)Cl 7a_100000101165_100000210760 [0,2,0,0,0,0|2,0,0]=4 15795 B13R1.164 CC(C)COc1ccc(nc1F)Cl 34a_100009880201_100000210624 [0,2,0,0,0,0|2,0,0]=4 15796 B13R1.164 CC(C)COc1ccc(nc1F)Cl 7a_100009880201_100000210760 [0,2,0,0,0,0|2,0,0]=4 15797 B13R1.164 CC(C)COc1ccc(nc1I)Cl 34a_100000696390_100000210624 [0,2,0,0,0,0|2,0,0]=4 15798 B13R1.164 CC(C)COc1ccc(nc1I)Cl 7a_100000696390_100000210760 [0,2,0,0,0,0|2,0,0]=4 15799 B13R1.164 CC(C)COc1ccc(nc1N)Cl 34a_100000717809_100000210624 [0,2,0,0,0,0|2,0,0]=4 15800 B13R1.164 CC(C)COc1ccc(nc1N)Cl 7a_100000717809_100000210760 [0,2,0,0,0,0|2,0,0]=4 15801 B13R1.164 CC(C)COc1cnc(cc1Cl)Cl 34a_100009868576_100000210624 [0,2,0,0,0,0|2,0,0]=4 15802 B13R1.164 CC(C)COc1cnc(cc1Cl)Cl 7a_100009868576_100000210760 [0,2,0,0,0,0|2,0,0]=4 15803 B13R1.164 CC(C)COc1cnc(cc1I)Cl 34a_100000698892_100000210624 [0,2,0,0,0,0|2,0,0]=4 15804 B13R1.164 CC(C)COc1cnc(cc1I)Cl 7a_100000698892_100000210760 [0,2,0,0,0,0|2,0,0]=4 15805 B13R1.164 CC(C)COc1ncc(cc1F)Cl 34a_100011998252_100000210624 [0,2,0,0,0,0|2,0,0]=4 15806 B13R1.164 CC(C)COc1ncc(cc1N)Cl 34a_100011998249_100000210624 [0,2,0,0,0,0|2,0,0]=4 15807 B13R1.164 CC(C)CSc1ccc(cc1Br)Cl 62a_100000210624_100011219703 [0,2,0,0,0,0|1,1,0]=4 15808 B13R1.164 CC(C)CSc1ccc(cc1Br)Cl 62a_100011219703_100000210760 [0,2,0,0,0,0|1,1,0]=4 15809 B13R1.164 CC(C)CSc1ccc(cc1Cl)Cl 62a_100000210624_100000699841 [0,2,0,0,0,0|1,1,0]=4 15810 B13R1.164 CC(C)CSc1ccc(cc1Cl)Cl 62a_100000699841_100000210760 [0,2,0,0,0,0|1,1,0]=4 15811 B13R1.164 CC(C)CSc1ccc(cc1F)Cl 62a_100000210624_100011216042 [0,2,0,0,0,0|1,1,0]=4 15812 B13R1.164 CC(C)CSc1ccc(cc1F)Cl 62a_100011216042_100000210760 [0,2,0,0,0,0|1,1,0]=4 15813 B13R1.164 CC(C)CSc1ccc(cc1N)Cl 62a_100000210624_100000761886 [0,2,0,0,0,0|1,1,0]=4 15814 B13R1.164 CC(C)CSc1ccc(cc1N)Cl 62a_100000761886_100000210760 [0,2,0,0,0,0|1,1,0]=4 15815 B13R1.164 CC(C)CSc1ccc(cc1O)Cl 62a_100000050036_100000210760 [0,2,0,0,0,0|1,1,0]=4 15816 B13R1.164 CC(C)CSc1ccc(cc1O)Cl 62a_100000210624_100000050036 [0,2,0,0,0,0|1,1,0]=4 15817 B13R1.164 CC(O)C=Cc1ccc(cc1Br)Cl 271570a_200011019289_100011219703 [0,2,0,0,0,0|1,0,1]=4 15818 B13R1.164 CC(O)C=Cc1ccc(cc1Cl)Cl 271570a_200011019289_100000699841 [0,2,0,0,0,0|1,0,1]=4 15819 B13R1.164 CC(O)C=Cc1ccc(cc1F)Cl 271570a_200011019289_100011216042 [0,2,0,0,0,0|1,0,1]=4 15820 B13R1.164 CC(O)C=Cc1ccc(cc1N)Cl 271570a_200011019289_100000761886 [0,2,0,0,0,0|1,0,1]=4 15821 B13R1.164 CC(O)C=Cc1ccc(cc1O)Cl 271570a_200011019289_100000050036 [0,2,0,0,0,0|1,0,1]=4 15822 B13R1.164 CC(O)CNc1ccc(cc1Br)Br 34a_100000211012_100011218427 [0,2,0,0,0,0|1,1,0]=4 15823 B13R1.164 CC(O)CNc1ccc(cc1Br)Cl 34a_100000752454_100011218427 [0,2,0,0,0,0|1,0,0]=3 15824 B13R1.164 CC(O)CNc1ccc(cc1Br)F 34a_100000738039_100011218427 [0,2,0,0,0,0|1,1,0]=4 15825 B13R1.164 CC(O)CNc1ccc(cc1Br)O 34a_100012001276_100011218427 [0,2,0,0,0,0|2,0,0]=4 15826 B13R1.164 CC(O)CNc1ccc(cc1Cl)Br 34a_100000211467_100011218427 [0,2,0,0,0,0|1,1,0]=4 15827 B13R1.164 CC(O)CNc1ccc(cc1Cl)Cl 34a_100000185861_100011218427 [0,2,0,0,0,0|1,0,0]=3 15828 B13R1.164 CC(O)CNc1ccc(cc1Cl)F 34a_100000212003_100011218427 [0,2,0,0,0,0|1,1,0]=4 15829 B13R1.164 CC(O)CNc1ccc(cc1Cl)I 34a_100011218065_100011218427 [0,2,0,0,0,0|1,1,0]=4 15830 B13R1.164 CC(O)CNc1ccc(cc1Cl)O 34a_100011215599_100011218427 [0,2,0,0,0,0|2,0,0]=4 15831 B13R1.164 CC(O)CNc1ccc(cc1F)Br 34a_100000210722_100011218427 [0,2,0,0,0,0|1,1,0]=4 15832 B13R1.164 CC(O)CNc1ccc(cc1F)Cl 34a_100000211020_100011218427 [0,2,0,0,0,0|1,0,0]=3 15833 B13R1.164 CC(O)CNc1ccc(cc1F)F 34a_100000210720_100011218427 [0,2,0,0,0,0|1,1,0]=4 15834 B13R1.164 CC(O)CNc1ccc(cc1F)I 34a_100011215594_100011218427 [0,2,0,0,0,0|1,1,0]=4 15835 B13R1.164 CC(O)CNc1ccc(cc1F)O 34a_100000759473_100011218427 [0,2,0,0,0,0|2,0,0]=4 15836 B13R1.164 CC(O)CNc1ccc(cc1I)Br 34a_100000187925_100011218427 [0,2,0,0,0,0|1,1,0]=4 15837 B13R1.164 CC(O)CNc1ccc(cc1I)Cl 34a_100000761889_100011218427 [0,2,0,0,0,0|1,0,0]=3 15838 B13R1.164 CC(O)CNc1ccc(cc1I)F 34a_100000760547_100011218427 [0,2,0,0,0,0|1,1,0]=4 15839 B13R1.164 CC(O)CNc1ccc(cc1I)O 34a_100010084370_100011218427 [0,2,0,0,0,0|2,0,0]=4 15840 B13R1.164 CC(O)CNc1ccc(cc1O)Br 34a_100000739049_100011218427 [0,2,0,0,0,0|1,1,0]=4 15841 B13R1.164 CC(O)CNc1ccc(cc1O)Cl 34a_100000185728_100011218427 [0,2,0,0,0,0|1,0,0]=3 15842 B13R1.164 CC(O)CNc1ccc(cc1O)F 34a_100000753323_100011218427 [0,2,0,0,0,0|1,1,0]=4 15843 B13R1.164 CC(O)CNc1ccc(cc1O)O 34a_100000106777_100011218427 [0,2,0,0,0,0|2,0,0]=4 15844 B13R1.164 CC(O)COc1ccc(cc1Br)Br 34a_100000188717_100011218427 [0,2,0,0,0,0|0,1,0]=3 15845 B13R1.164 CC(O)COc1ccc(cc1Br)Br 7a_100000188717_100011218427 [0,2,0,0,0,0|0,1,0]=3 15846 B13R1.164 CC(O)COc1ccc(cc1Br)Cl 34a_100000211998_100011218427 [0,2,0,0,0,0|0,0,0]=2 15847 B13R1.164 CC(O)COc1ccc(cc1Br)Cl 7a_100000211998_100011218427 [0,2,0,0,0,0|0,0,0]=2 15848 B13R1.164 CC(O)COc1ccc(cc1Br)F 34a_100000211999_100011218427 [0,2,0,0,0,0|0,1,0]=3 15849 B13R1.164 CC(O)COc1ccc(cc1Br)F 7a_100000211999_100011218427 [0,2,0,0,0,0|0,1,0]=3 15850 B13R1.164 CC(O)COc1ccc(cc1Br)I 34a_100012361655_100011218427 [0,2,0,0,0,0|0,1,0]=3 15851 B13R1.164 CC(O)COc1ccc(cc1Br)I 7a_100012361655_100011218427 [0,2,0,0,0,0|0,1,0]=3 15852 B13R1.164 CC(O)COc1ccc(cc1Br)N 34a_100011534360_100011218427 [0,2,0,0,0,0|1,0,0]=3 15853 B13R1.164 CC(O)COc1ccc(cc1Br)N 7a_100011534360_100011218427 [0,2,0,0,0,0|1,0,0]=3 15854 B13R1.164 CC(O)COc1ccc(cc1Cl)Br 34a_100000186472_100011218427 [0,2,0,0,0,0|0,1,0]=3 15855 B13R1.164 CC(O)COc1ccc(cc1Cl)Br 7a_100000186472_100011218427 [0,2,0,0,0,0|0,1,0]=3 15856 B13R1.164 CC(O)COc1ccc(cc1Cl)Cl 34a_100015191787_100011218427 [0,2,0,0,0,0|0,0,0]=2 15857 B13R1.164 CC(O)COc1ccc(cc1Cl)Cl 7a_100015191787_100011218427 [0,2,0,0,0,0|0,0,0]=2 15858 B13R1.164 CC(O)COc1ccc(cc1Cl)F 34a_100000212004_100011218427 [0,2,0,0,0,0|0,1,0]=3 15859 B13R1.164 CC(O)COc1ccc(cc1Cl)F 7a_100000212004_100011218427 [0,2,0,0,0,0|0,1,0]=3 15860 B13R1.164 CC(O)COc1ccc(cc1Cl)I 34a_100012360047_100011218427 [0,2,0,0,0,0|0,1,0]=3 15861 B13R1.164 CC(O)COc1ccc(cc1Cl)I 7a_100012360047_100011218427 [0,2,0,0,0,0|0,1,0]=3 15862 B13R1.164 CC(O)COc1ccc(cc1Cl)N 34a_100000744943_100011218427 [0,2,0,0,0,0|1,0,0]=3 15863 B13R1.164 CC(O)COc1ccc(cc1Cl)N 7a_100000744943_100011218427 [0,2,0,0,0,0|1,0,0]=3 15864 B13R1.164 CC(O)COc1ccc(cc1F)Br 34a_100000185481_100011218427 [0,2,0,0,0,0|0,1,0]=3 15865 B13R1.164 CC(O)COc1ccc(cc1F)Br 7a_100000185481_100011218427 [0,2,0,0,0,0|0,1,0]=3 15866 B13R1.164 CC(O)COc1ccc(cc1F)Cl 34a_100000230166_100011218427 [0,2,0,0,0,0|0,0,0]=2 15867 B13R1.164 CC(O)COc1ccc(cc1F)Cl 7a_100000230166_100011218427 [0,2,0,0,0,0|0,0,0]=2 15868 B13R1.164 CC(O)COc1ccc(cc1F)F 34a_100000230127_100011218427 [0,2,0,0,0,0|0,1,0]=3 15869 B13R1.164 CC(O)COc1ccc(cc1F)F 7a_100000230127_100011218427 [0,2,0,0,0,0|0,1,0]=3 15870 B13R1.164 CC(O)COc1ccc(cc1F)I 34a_100011356965_100011218427 [0,2,0,0,0,0|0,1,0]=3 15871 B13R1.164 CC(O)COc1ccc(cc1F)I 7a_100011356965_100011218427 [0,2,0,0,0,0|0,1,0]=3 15872 B13R1.164 CC(O)COc1ccc(cc1F)N 34a_100011220035_100011218427 [0,2,0,0,0,0|1,0,0]=3 15873 B13R1.164 CC(O)COc1ccc(cc1F)N 7a_100011220035_100011218427 [0,2,0,0,0,0|1,0,0]=3 15874 B13R1.164 CC(O)COc1ccc(cc1I)Br 34a_100012355227_100011218427 [0,2,0,0,0,0|0,1,0]=3 15875 B13R1.164 CC(O)COc1ccc(cc1I)Br 7a_100012355227_100011218427 [0,2,0,0,0,0|0,1,0]=3 15876 B13R1.164 CC(O)COc1ccc(cc1I)Cl 34a_100011356953_100011218427 [0,2,0,0,0,0|0,0,0]=2 15877 B13R1.164 CC(O)COc1ccc(cc1I)Cl 7a_100011356953_100011218427 [0,2,0,0,0,0|0,0,0]=2 15878 B13R1.164 CC(O)COc1ccc(cc1I)F 34a_100012355409_100011218427 [0,2,0,0,0,0|0,1,0]=3 15879 B13R1.164 CC(O)COc1ccc(cc1I)F 7a_100012355409_100011218427 [0,2,0,0,0,0|0,1,0]=3 15880 B13R1.164 CC(O)COc1ccc(cc1I)I 7a_100010001573_100011218427 [0,2,0,0,0,0|0,1,0]=3 15881 B13R1.164 CC(O)COc1ccc(cc1N)Br 34a_100000752626_100011218427 [0,2,0,0,0,0|0,1,0]=3 15882 B13R1.164 CC(O)COc1ccc(cc1N)Br 7a_100000752626_100011218427 [0,2,0,0,0,0|0,1,0]=3 15883 B13R1.164 CC(O)COc1ccc(cc1N)Cl 34a_100000210500_100011218427 [0,2,0,0,0,0|0,0,0]=2 15884 B13R1.164 CC(O)COc1ccc(cc1N)Cl 7a_100000210500_100011218427 [0,2,0,0,0,0|0,0,0]=2 15885 B13R1.164 CC(O)COc1ccc(cc1N)F 34a_100000759472_100011218427 [0,2,0,0,0,0|0,1,0]=3 15886 B13R1.164 CC(O)COc1ccc(cc1N)F 7a_100000759472_100011218427 [0,2,0,0,0,0|0,1,0]=3 15887 B13R1.164 CC(O)COc1ccc(cc1N)I 34a_100000753495_100011218427 [0,2,0,0,0,0|0,1,0]=3 15888 B13R1.164 CC(O)COc1ccc(cc1N)I 7a_100000753495_100011218427 [0,2,0,0,0,0|0,1,0]=3 15889 B13R1.164 CC(O)COc1ccc(cc1N)N 34a_100000725306_100011218427 [0,2,0,0,0,0|1,0,0]=3 15890 B13R1.164 CC(O)COc1ccc(nc1Br)Br 34a_100009999766_100011218427 [0,2,0,0,0,0|1,1,0]=4 15891 B13R1.164 CC(O)COc1ccc(nc1Br)Br 7a_100009999766_100011218427 [0,2,0,0,0,0|1,1,0]=4 15892 B13R1.164 CC(O)COc1ccc(nc1Br)Cl 34a_100010219353_100011218427 [0,2,0,0,0,0|1,0,0]=3 15893 B13R1.164 CC(O)COc1ccc(nc1Br)Cl 7a_100010219353_100011218427 [0,2,0,0,0,0|1,0,0]=3 15894 B13R1.164 CC(O)COc1ccc(nc1Br)F 34a_100009887730_100011218427 [0,2,0,0,0,0|1,1,0]=4 15895 B13R1.164 CC(O)COc1ccc(nc1Br)F 7a_100009887730_100011218427 [0,2,0,0,0,0|1,1,0]=4 15896 B13R1.164 CC(O)COc1ccc(nc1Br)I 34a_100000725334_100011218427 [0,2,0,0,0,0|1,1,0]=4 15897 B13R1.164 CC(O)COc1ccc(nc1Br)I 7a_100000725334_100011218427 [0,2,0,0,0,0|1,1,0]=4 15898 B13R1.164 CC(O)COc1ccc(nc1Cl)Br 34a_100010246206_100011218427 [0,2,0,0,0,0|1,1,0]=4 15899 B13R1.164 CC(O)COc1ccc(nc1Cl)Br 7a_100010246206_100011218427 [0,2,0,0,0,0|1,1,0]=4 15900 B13R1.164 CC(O)COc1ccc(nc1Cl)Cl 34a_100000101165_100011218427 [0,2,0,0,0,0|1,0,0]=3 15901 B13R1.164 CC(O)COc1ccc(nc1Cl)Cl 7a_100000101165_100011218427 [0,2,0,0,0,0|1,0,0]=3 15902 B13R1.164 CC(O)COc1ccc(nc1Cl)I 34a_100000721234_100011218427 [0,2,0,0,0,0|1,1,0]=4 15903 B13R1.164 CC(O)COc1ccc(nc1Cl)I 7a_100000721234_100011218427 [0,2,0,0,0,0|1,1,0]=4 15904 B13R1.164 CC(O)COc1ccc(nc1F)Br 34a_100009819667_100011218427 [0,2,0,0,0,0|1,1,0]=4 15905 B13R1.164 CC(O)COc1ccc(nc1F)Br 7a_100009819667_100011218427 [0,2,0,0,0,0|1,1,0]=4 15906 B13R1.164 CC(O)COc1ccc(nc1F)Cl 34a_100009880201_100011218427 [0,2,0,0,0,0|1,0,0]=3 15907 B13R1.164 CC(O)COc1ccc(nc1F)Cl 7a_100009880201_100011218427 [0,2,0,0,0,0|1,0,0]=3 15908 B13R1.164 CC(O)COc1ccc(nc1F)F 34a_100000101184_100011218427 [0,2,0,0,0,0|1,1,0]=4 15909 B13R1.164 CC(O)COc1ccc(nc1F)F 7a_100000101184_100011218427 [0,2,0,0,0,0|1,1,0]=4 15910 B13R1.164 CC(O)COc1ccc(nc1I)Br 34a_100010253912_100011218427 [0,2,0,0,0,0|1,1,0]=4 15911 B13R1.164 CC(O)COc1ccc(nc1I)Br 7a_100010253912_100011218427 [0,2,0,0,0,0|1,1,0]=4 15912 B13R1.164 CC(O)COc1ccc(nc1I)Cl 34a_100000696390_100011218427 [0,2,0,0,0,0|1,0,0]=3 15913 B13R1.164 CC(O)COc1ccc(nc1I)Cl 7a_100000696390_100011218427 [0,2,0,0,0,0|1,0,0]=3 15914 B13R1.164 CC(O)COc1ccc(nc1I)F 34a_100010382442_100011218427 [0,2,0,0,0,0|1,1,0]=4 15915 B13R1.164 CC(O)COc1ccc(nc1I)F 7a_100010382442_100011218427 [0,2,0,0,0,0|1,1,0]=4 15916 B13R1.164 CC(O)COc1ccc(nc1N)Br 34a_100000685527_100011218427 [0,2,0,0,0,0|1,1,0]=4 15917 B13R1.164 CC(O)COc1ccc(nc1N)Br 7a_100000685527_100011218427 [0,2,0,0,0,0|1,1,0]=4 15918 B13R1.164 CC(O)COc1ccc(nc1N)Cl 34a_100000717809_100011218427 [0,2,0,0,0,0|1,0,0]=3 15919 B13R1.164 CC(O)COc1ccc(nc1N)Cl 7a_100000717809_100011218427 [0,2,0,0,0,0|1,0,0]=3 15920 B13R1.164 CC(O)COc1cnc(cc1Cl)Cl 34a_100009868576_100011218427 [0,2,0,0,0,0|1,0,0]=3 15921 B13R1.164 CC(O)COc1cnc(cc1Cl)Cl 7a_100009868576_100011218427 [0,2,0,0,0,0|1,0,0]=3 15922 B13R1.164 CC(O)COc1cnc(cc1F)F 34a_100009885687_100011218427 [0,2,0,0,0,0|1,1,0]=4 15923 B13R1.164 CC(O)COc1cnc(cc1F)F 7a_100009885687_100011218427 [0,2,0,0,0,0|1,1,0]=4 15924 B13R1.164 CC(O)COc1cnc(cc1I)Cl 34a_100000698892_100011218427 [0,2,0,0,0,0|1,0,0]=3 15925 B13R1.164 CC(O)COc1cnc(cc1I)Cl 7a_100000698892_100011218427 [0,2,0,0,0,0|1,0,0]=3 15926 B13R1.164 CC(O)COc1cnc(cc1N)Br 34a_100009819941_100011218427 [0,2,0,0,0,0|1,1,0]=4 15927 B13R1.164 CC(O)COc1cnc(cc1N)Br 7a_100009819941_100011218427 [0,2,0,0,0,0|1,1,0]=4 15928 B13R1.164 CC(O)COc1cnc(nc1Cl)Cl 34a_100010725077_100011218427 [0,2,0,0,0,0|2,0,0]=4 15929 B13R1.164 CC(O)COc1cnc(nc1Cl)Cl 7a_100010725077_100011218427 [0,2,0,0,0,0|2,0,0]=4 15930 B13R1.164 CC(O)COc1ncc(cc1Br)Br 34a_100000701035_100011218427 [0,2,0,0,0,0|1,1,0]=4 15931 B13R1.164 CC(O)COc1ncc(cc1Cl)Br 34a_100012339560_100011218427 [0,2,0,0,0,0|1,1,0]=4 15932 B13R1.164 CC(O)COc1ncc(cc1Cl)F 34a_100009847679_100011218427 [0,2,0,0,0,0|1,1,0]=4 15933 B13R1.164 CC(O)COc1ncc(cc1F)Cl 34a_100011998252_100011218427 [0,2,0,0,0,0|1,0,0]=3 15934 B13R1.164 CC(O)COc1ncc(cc1F)F 34a_100012025737_100011218427 [0,2,0,0,0,0|1,1,0]=4 15935 B13R1.164 CC(O)COc1ncc(cc1N)Br 34a_100000743729_100011218427 [0,2,0,0,0,0|1,1,0]=4 15936 B13R1.164 CC(O)COc1ncc(cc1N)Cl 34a_100011998249_100011218427 [0,2,0,0,0,0|1,0,0]=3 15937 B13R1.164 CC(O)CSc1ccc(cc1Br)Br 62a_100011218427_100011484698 [0,2,0,0,0,0|0,2,0]=4 15938 B13R1.164 CC(O)CSc1ccc(cc1Br)Br 62a_100011484698_100011218427 [0,2,0,0,0,0|0,2,0]=4 15939 B13R1.164 CC(O)CSc1ccc(cc1Br)Cl 62a_100011218427_100011219703 [0,2,0,0,0,0|0,1,0]=3 15940 B13R1.164 CC(O)CSc1ccc(cc1Br)Cl 62a_100011219703_100011218427 [0,2,0,0,0,0|0,1,0]=3 15941 B13R1.164 CC(O)CSc1ccc(cc1Br)F 62a_100011217111_100011218427 [0,2,0,0,0,0|0,2,0]=4 15942 B13R1.164 CC(O)CSc1ccc(cc1Br)F 62a_100011218427_100011217111 [0,2,0,0,0,0|0,2,0]=4 15943 B13R1.164 CC(O)CSc1ccc(cc1Br)N 62a_100000750458_100011218427 [0,2,0,0,0,0|1,1,0]=4 15944 B13R1.164 CC(O)CSc1ccc(cc1Br)N 62a_100011218427_100000750458 [0,2,0,0,0,0|1,1,0]=4 15945 B13R1.164 CC(O)CSc1ccc(cc1Br)O 62a_100000701344_100011218427 [0,2,0,0,0,0|1,1,0]=4 15946 B13R1.164 CC(O)CSc1ccc(cc1Br)O 62a_100011218427_100000701344 [0,2,0,0,0,0|1,1,0]=4 15947 B13R1.164 CC(O)CSc1ccc(cc1Cl)Br 62a_100011216062_100011218427 [0,2,0,0,0,0|0,2,0]=4 15948 B13R1.164 CC(O)CSc1ccc(cc1Cl)Br 62a_100011218427_100011216062 [0,2,0,0,0,0|0,2,0]=4 15949 B13R1.164 CC(O)CSc1ccc(cc1Cl)Cl 62a_100000699841_100011218427 [0,2,0,0,0,0|0,1,0]=3 15950 B13R1.164 CC(O)CSc1ccc(cc1Cl)Cl 62a_100011218427_100000699841 [0,2,0,0,0,0|0,1,0]=3 15951 B13R1.164 CC(O)CSc1ccc(cc1Cl)F 62a_100000733362_100011218427 [0,2,0,0,0,0|0,2,0]=4 15952 B13R1.164 CC(O)CSc1ccc(cc1Cl)F 62a_100011218427_100000733362 [0,2,0,0,0,0|0,2,0]=4 15953 B13R1.164 CC(O)CSc1ccc(cc1Cl)N 62a_100000761885_100011218427 [0,2,0,0,0,0|1,1,0]=4 15954 B13R1.164 CC(O)CSc1ccc(cc1Cl)N 62a_100011218427_100000761885 [0,2,0,0,0,0|1,1,0]=4 15955 B13R1.164 CC(O)CSc1ccc(cc1Cl)O 62a_100000047559_100011218427 [0,2,0,0,0,0|1,1,0]=4 15956 B13R1.164 CC(O)CSc1ccc(cc1Cl)O 62a_100011218427_100000047559 [0,2,0,0,0,0|1,1,0]=4 15957 B13R1.164 CC(O)CSc1ccc(cc1F)Br 62a_100009814013_100011218427 [0,2,0,0,0,0|0,2,0]=4 15958 B13R1.164 CC(O)CSc1ccc(cc1F)Br 62a_100011218427_100009814013 [0,2,0,0,0,0|0,2,0]=4 15959 B13R1.164 CC(O)CSc1ccc(cc1F)Cl 62a_100011216042_100011218427 [0,2,0,0,0,0|0,1,0]=3 15960 B13R1.164 CC(O)CSc1ccc(cc1F)Cl 62a_100011218427_100011216042 [0,2,0,0,0,0|0,1,0]=3 15961 B13R1.164 CC(O)CSc1ccc(cc1F)F 62a_100000750030_100011218427 [0,2,0,0,0,0|0,2,0]=4 15962 B13R1.164 CC(O)CSc1ccc(cc1F)F 62a_100011218427_100000750030 [0,2,0,0,0,0|0,2,0]=4 15963 B13R1.164 CC(O)CSc1ccc(cc1F)N 62a_100011218427_100011356925 [0,2,0,0,0,0|1,1,0]=4 15964 B13R1.164 CC(O)CSc1ccc(cc1F)N 62a_100011356925_100011218427 [0,2,0,0,0,0|1,1,0]=4 15965 B13R1.164 CC(O)CSc1ccc(cc1F)O 62a_100000755031_100011218427 [0,2,0,0,0,0|1,1,0]=4 15966 B13R1.164 CC(O)CSc1ccc(cc1F)O 62a_100011218427_100000755031 [0,2,0,0,0,0|1,1,0]=4 15967 B13R1.164 CC(O)CSc1ccc(cc1N)Br 62a_100000743836_100011218427 [0,2,0,0,0,0|0,2,0]=4 15968 B13R1.164 CC(O)CSc1ccc(cc1N)Br 62a_100011218427_100000743836 [0,2,0,0,0,0|0,2,0]=4 15969 B13R1.164 CC(O)CSc1ccc(cc1N)Cl 62a_100000761886_100011218427 [0,2,0,0,0,0|0,1,0]=3 15970 B13R1.164 CC(O)CSc1ccc(cc1N)Cl 62a_100011218427_100000761886 [0,2,0,0,0,0|0,1,0]=3 15971 B13R1.164 CC(O)CSc1ccc(cc1N)F 62a_100000687223_100011218427 [0,2,0,0,0,0|0,2,0]=4 15972 B13R1.164 CC(O)CSc1ccc(cc1N)F 62a_100011218427_100000687223 [0,2,0,0,0,0|0,2,0]=4 15973 B13R1.164 CC(O)CSc1ccc(cc1N)N 62a_100011218427_200012175722 [0,2,0,0,0,0|1,1,0]=4 15974 B13R1.164 CC(O)CSc1ccc(cc1N)N 62a_200012175722_100011218427 [0,2,0,0,0,0|1,1,0]=4 15975 B13R1.164 CC(O)CSc1ccc(cc1N)O 62a_100011218427_100011999798 [0,2,0,0,0,0|1,1,0]=4 15976 B13R1.164 CC(O)CSc1ccc(cc1N)O 62a_100011999798_100011218427 [0,2,0,0,0,0|1,1,0]=4 15977 B13R1.164 CC(O)CSc1ccc(cc1O)Br 62a_100011218427_100012344904 [0,2,0,0,0,0|0,2,0]=4 15978 B13R1.164 CC(O)CSc1ccc(cc1O)Br 62a_100012344904_100011218427 [0,2,0,0,0,0|0,2,0]=4 15979 B13R1.164 CC(O)CSc1ccc(cc1O)Cl 62a_100000050036_100011218427 [0,2,0,0,0,0|0,1,0]=3 15980 B13R1.164 CC(O)CSc1ccc(cc1O)Cl 62a_100011218427_100000050036 [0,2,0,0,0,0|0,1,0]=3 15981 B13R1.164 CC(O)CSc1ccc(cc1O)F 62a_100000690578_100011218427 [0,2,0,0,0,0|0,2,0]=4 15982 B13R1.164 CC(O)CSc1ccc(cc1O)F 62a_100011218427_100000690578 [0,2,0,0,0,0|0,2,0]=4 15983 B13R1.164 CC(O)CSc1ccc(cc1O)O 62a_100011218427_100009813921 [0,2,0,0,0,0|1,1,0]=4 15984 B13R1.164 CC(O)CSc1ccc(nc1Cl)Cl 62a_100011218427_100000043682 [0,2,0,0,0,0|1,1,0]=4 15985 B13R1.164 CC(O)CSc1ccc(nc1F)Cl 62a_100010168078_100011218427 [0,2,0,0,0,0|1,1,0]=4 15986 B13R1.164 CC(O)CSc1ccc(nc1F)Cl 62a_100011218427_100010168078 [0,2,0,0,0,0|1,1,0]=4 15987 B13R1.164 CC(O)CSc1ccc(nc1N)Cl 62a_100010171640_100011218427 [0,2,0,0,0,0|1,1,0]=4 15988 B13R1.164 CC(O)CSc1ccc(nc1N)Cl 62a_100011218427_100010171640 [0,2,0,0,0,0|1,1,0]=4 15989 B13R1.164 CC(O)CSc1cnc(cc1Cl)Cl 62a_100010200927_100011218427 [0,2,0,0,0,0|1,1,0]=4 15990 B13R1.164 CC(O)CSc1cnc(cc1Cl)Cl 62a_100011218427_100010200927 [0,2,0,0,0,0|1,1,0]=4 15991 B13R1.164 CC(O)CSc1cnc(cc1F)Cl 62a_100010128100_100011218427 [0,2,0,0,0,0|1,1,0]=4 15992 B13R1.164 CC(O)CSc1cnc(cc1F)Cl 62a_100011218427_100010128100 [0,2,0,0,0,0|1,1,0]=4 15993 B13R1.164 CC(O)CSc1cnc(cc1N)Cl 62a_100010209552_100011218427 [0,2,0,0,0,0|1,1,0]=4 15994 B13R1.164 CC(O)CSc1cnc(cc1N)Cl 62a_100011218427_100010209552 [0,2,0,0,0,0|1,1,0]=4 15995 B13R1.164 CC(O)CSc1ncc(cc1Br)Cl 62a_100011218427_100012154958 [0,2,0,0,0,0|1,1,0]=4 15996 B13R1.164 CC(O)CSc1ncc(cc1Br)Cl 62a_100012154958_100011218427 [0,2,0,0,0,0|1,1,0]=4 15997 B13R1.164 CC(O)CSc1ncc(cc1F)Cl 62a_100011218427_100012348686 [0,2,0,0,0,0|1,1,0]=4 15998 B13R1.164 CC(O)CSc1ncc(cc1F)Cl 62a_100012348686_100011218427 [0,2,0,0,0,0|1,1,0]=4 15999 B13R1.164 CC(O)CSc1ncc(cc1O)Cl 62a_100010233512_100011218427 [0,2,0,0,0,0|1,1,0]=4 16000 B13R1.164 CC(O)CSc1ncc(cc1O)Cl 62a_100011218427_100010233512 [0,2,0,0,0,0|1,1,0]=4 16001 B13R1.164 C[C@@H](O)CNc1ccc(cc1Br)Br 34a_100000211012_100009817552 [0,2,0,0,0,0|1,1,0]=4 16002 B13R1.164 C[C@@H](O)CNc1ccc(cc1Br)Cl 34a_100000752454_100009817552 [0,2,0,0,0,0|1,0,0]=3 16003 B13R1.164 C[C@@H](O)CNc1ccc(cc1Br)F 34a_100000738039_100009817552 [0,2,0,0,0,0|1,1,0]=4 16004 B13R1.164 C[C@@H](O)CNc1ccc(cc1Br)O 34a_100012001276_100009817552 [0,2,0,0,0,0|2,0,0]=4 16005 B13R1.164 C[C@@H](O)CNc1ccc(cc1Cl)Br 34a_100000211467_100009817552 [0,2,0,0,0,0|1,1,0]=4 16006 B13R1.164 C[C@@H](O)CNc1ccc(cc1Cl)Cl 34a_100000185861_100009817552 [0,2,0,0,0,0|1,0,0]=3 16007 B13R1.164 C[C@@H](O)CNc1ccc(cc1Cl)F 34a_100000212003_100009817552 [0,2,0,0,0,0|1,1,0]=4 16008 B13R1.164 C[C@@H](O)CNc1ccc(cc1Cl)I 34a_100011218065_100009817552 [0,2,0,0,0,0|1,1,0]=4 16009 B13R1.164 C[C@@H](O)CNc1ccc(cc1Cl)O 34a_100011215599_100009817552 [0,2,0,0,0,0|2,0,0]=4 16010 B13R1.164 C[C@@H](O)CNc1ccc(cc1F)Br 34a_100000210722_100009817552 [0,2,0,0,0,0|1,1,0]=4 16011 B13R1.164 C[C@@H](O)CNc1ccc(cc1F)Cl 34a_100000211020_100009817552 [0,2,0,0,0,0|1,0,0]=3 16012 B13R1.164 C[C@@H](O)CNc1ccc(cc1F)F 34a_100000210720_100009817552 [0,2,0,0,0,0|1,1,0]=4 16013 B13R1.164 C[C@@H](O)CNc1ccc(cc1F)I 34a_100011215594_100009817552 [0,2,0,0,0,0|1,1,0]=4 16014 B13R1.164 C[C@@H](O)CNc1ccc(cc1F)O 34a_100000759473_100009817552 [0,2,0,0,0,0|2,0,0]=4 16015 B13R1.164 C[C@@H](O)CNc1ccc(cc1I)Br 34a_100000187925_100009817552 [0,2,0,0,0,0|1,1,0]=4 16016 B13R1.164 C[C@@H](O)CNc1ccc(cc1I)Cl 34a_100000761889_100009817552 [0,2,0,0,0,0|1,0,0]=3 16017 B13R1.164 C[C@@H](O)CNc1ccc(cc1I)F 34a_100000760547_100009817552 [0,2,0,0,0,0|1,1,0]=4 16018 B13R1.164 C[C@@H](O)CNc1ccc(cc1I)O 34a_100010084370_100009817552 [0,2,0,0,0,0|2,0,0]=4 16019 B13R1.164 C[C@@H](O)CNc1ccc(cc1O)Br 34a_100000739049_100009817552 [0,2,0,0,0,0|1,1,0]=4 16020 B13R1.164 C[C@@H](O)CNc1ccc(cc1O)Cl 34a_100000185728_100009817552 [0,2,0,0,0,0|1,0,0]=3 16021 B13R1.164 C[C@@H](O)CNc1ccc(cc1O)F 34a_100000753323_100009817552 [0,2,0,0,0,0|1,1,0]=4 16022 B13R1.164 C[C@@H](O)CNc1ccc(cc1O)O 34a_100000106777_100009817552 [0,2,0,0,0,0|2,0,0]=4 16023 B13R1.164 C[C@@H](O)COc1ccc(cc1Br)Br 34a_100000188717_100009817552 [0,2,0,0,0,0|0,1,0]=3 16024 B13R1.164 C[C@@H](O)COc1ccc(cc1Br)Br 7a_100000188717_100009817552 [0,2,0,0,0,0|0,1,0]=3 16025 B13R1.164 C[C@@H](O)COc1ccc(cc1Br)Cl 34a_100000211998_100009817552 [0,2,0,0,0,0|0,0,0]=2 16026 B13R1.164 C[C@@H](O)COc1ccc(cc1Br)Cl 7a_100000211998_100009817552 [0,2,0,0,0,0|0,0,0]=2 16027 B13R1.164 C[C@@H](O)COc1ccc(cc1Br)F 34a_100000211999_100009817552 [0,2,0,0,0,0|0,1,0]=3 16028 B13R1.164 C[C@@H](O)COc1ccc(cc1Br)F 7a_100000211999_100009817552 [0,2,0,0,0,0|0,1,0]=3 16029 B13R1.164 C[C@@H](O)COc1ccc(cc1Br)I 34a_100012361655_100009817552 [0,2,0,0,0,0|0,1,0]=3 16030 B13R1.164 C[C@@H](O)COc1ccc(cc1Br)I 7a_100012361655_100009817552 [0,2,0,0,0,0|0,1,0]=3 16031 B13R1.164 C[C@@H](O)COc1ccc(cc1Br)N 34a_100011534360_100009817552 [0,2,0,0,0,0|1,0,0]=3 16032 B13R1.164 C[C@@H](O)COc1ccc(cc1Br)N 7a_100011534360_100009817552 [0,2,0,0,0,0|1,0,0]=3 16033 B13R1.164 C[C@@H](O)COc1ccc(cc1Cl)Br 34a_100000186472_100009817552 [0,2,0,0,0,0|0,1,0]=3 16034 B13R1.164 C[C@@H](O)COc1ccc(cc1Cl)Br 7a_100000186472_100009817552 [0,2,0,0,0,0|0,1,0]=3 16035 B13R1.164 C[C@@H](O)COc1ccc(cc1Cl)Cl 34a_100015191787_100009817552 [0,2,0,0,0,0|0,0,0]=2 16036 B13R1.164 C[C@@H](O)COc1ccc(cc1Cl)Cl 7a_100015191787_100009817552 [0,2,0,0,0,0|0,0,0]=2 16037 B13R1.164 C[C@@H](O)COc1ccc(cc1Cl)F 34a_100000212004_100009817552 [0,2,0,0,0,0|0,1,0]=3 16038 B13R1.164 C[C@@H](O)COc1ccc(cc1Cl)F 7a_100000212004_100009817552 [0,2,0,0,0,0|0,1,0]=3 16039 B13R1.164 C[C@@H](O)COc1ccc(cc1Cl)I 34a_100012360047_100009817552 [0,2,0,0,0,0|0,1,0]=3 16040 B13R1.164 C[C@@H](O)COc1ccc(cc1Cl)I 7a_100012360047_100009817552 [0,2,0,0,0,0|0,1,0]=3 16041 B13R1.164 C[C@@H](O)COc1ccc(cc1Cl)N 34a_100000744943_100009817552 [0,2,0,0,0,0|1,0,0]=3 16042 B13R1.164 C[C@@H](O)COc1ccc(cc1Cl)N 7a_100000744943_100009817552 [0,2,0,0,0,0|1,0,0]=3 16043 B13R1.164 C[C@@H](O)COc1ccc(cc1F)Br 34a_100000185481_100009817552 [0,2,0,0,0,0|0,1,0]=3 16044 B13R1.164 C[C@@H](O)COc1ccc(cc1F)Br 7a_100000185481_100009817552 [0,2,0,0,0,0|0,1,0]=3 16045 B13R1.164 C[C@@H](O)COc1ccc(cc1F)Cl 34a_100000230166_100009817552 [0,2,0,0,0,0|0,0,0]=2 16046 B13R1.164 C[C@@H](O)COc1ccc(cc1F)Cl 7a_100000230166_100009817552 [0,2,0,0,0,0|0,0,0]=2 16047 B13R1.164 C[C@@H](O)COc1ccc(cc1F)F 34a_100000230127_100009817552 [0,2,0,0,0,0|0,1,0]=3 16048 B13R1.164 C[C@@H](O)COc1ccc(cc1F)F 7a_100000230127_100009817552 [0,2,0,0,0,0|0,1,0]=3 16049 B13R1.164 C[C@@H](O)COc1ccc(cc1F)I 34a_100011356965_100009817552 [0,2,0,0,0,0|0,1,0]=3 16050 B13R1.164 C[C@@H](O)COc1ccc(cc1F)I 7a_100011356965_100009817552 [0,2,0,0,0,0|0,1,0]=3 16051 B13R1.164 C[C@@H](O)COc1ccc(cc1F)N 34a_100011220035_100009817552 [0,2,0,0,0,0|1,0,0]=3 16052 B13R1.164 C[C@@H](O)COc1ccc(cc1F)N 7a_100011220035_100009817552 [0,2,0,0,0,0|1,0,0]=3 16053 B13R1.164 C[C@@H](O)COc1ccc(cc1I)Br 34a_100012355227_100009817552 [0,2,0,0,0,0|0,1,0]=3 16054 B13R1.164 C[C@@H](O)COc1ccc(cc1I)Br 7a_100012355227_100009817552 [0,2,0,0,0,0|0,1,0]=3 16055 B13R1.164 C[C@@H](O)COc1ccc(cc1I)Cl 34a_100011356953_100009817552 [0,2,0,0,0,0|0,0,0]=2 16056 B13R1.164 C[C@@H](O)COc1ccc(cc1I)Cl 7a_100011356953_100009817552 [0,2,0,0,0,0|0,0,0]=2 16057 B13R1.164 C[C@@H](O)COc1ccc(cc1I)F 34a_100012355409_100009817552 [0,2,0,0,0,0|0,1,0]=3 16058 B13R1.164 C[C@@H](O)COc1ccc(cc1I)F 7a_100012355409_100009817552 [0,2,0,0,0,0|0,1,0]=3 16059 B13R1.164 C[C@@H](O)COc1ccc(cc1I)I 7a_100010001573_100009817552 [0,2,0,0,0,0|0,1,0]=3 16060 B13R1.164 C[C@@H](O)COc1ccc(cc1N)Br 34a_100000752626_100009817552 [0,2,0,0,0,0|0,1,0]=3 16061 B13R1.164 C[C@@H](O)COc1ccc(cc1N)Br 7a_100000752626_100009817552 [0,2,0,0,0,0|0,1,0]=3 16062 B13R1.164 C[C@@H](O)COc1ccc(cc1N)Cl 34a_100000210500_100009817552 [0,2,0,0,0,0|0,0,0]=2 16063 B13R1.164 C[C@@H](O)COc1ccc(cc1N)Cl 7a_100000210500_100009817552 [0,2,0,0,0,0|0,0,0]=2 16064 B13R1.164 C[C@@H](O)COc1ccc(cc1N)F 34a_100000759472_100009817552 [0,2,0,0,0,0|0,1,0]=3 16065 B13R1.164 C[C@@H](O)COc1ccc(cc1N)F 7a_100000759472_100009817552 [0,2,0,0,0,0|0,1,0]=3 16066 B13R1.164 C[C@@H](O)COc1ccc(cc1N)I 34a_100000753495_100009817552 [0,2,0,0,0,0|0,1,0]=3 16067 B13R1.164 C[C@@H](O)COc1ccc(cc1N)I 7a_100000753495_100009817552 [0,2,0,0,0,0|0,1,0]=3 16068 B13R1.164 C[C@@H](O)COc1ccc(cc1N)N 34a_100000725306_100009817552 [0,2,0,0,0,0|1,0,0]=3 16069 B13R1.164 C[C@@H](O)COc1ccc(nc1Br)Br 34a_100009999766_100009817552 [0,2,0,0,0,0|1,1,0]=4 16070 B13R1.164 C[C@@H](O)COc1ccc(nc1Br)Br 7a_100009999766_100009817552 [0,2,0,0,0,0|1,1,0]=4 16071 B13R1.164 C[C@@H](O)COc1ccc(nc1Br)Cl 34a_100010219353_100009817552 [0,2,0,0,0,0|1,0,0]=3 16072 B13R1.164 C[C@@H](O)COc1ccc(nc1Br)Cl 7a_100010219353_100009817552 [0,2,0,0,0,0|1,0,0]=3 16073 B13R1.164 C[C@@H](O)COc1ccc(nc1Br)F 34a_100009887730_100009817552 [0,2,0,0,0,0|1,1,0]=4 16074 B13R1.164 C[C@@H](O)COc1ccc(nc1Br)F 7a_100009887730_100009817552 [0,2,0,0,0,0|1,1,0]=4 16075 B13R1.164 C[C@@H](O)COc1ccc(nc1Br)I 34a_100000725334_100009817552 [0,2,0,0,0,0|1,1,0]=4 16076 B13R1.164 C[C@@H](O)COc1ccc(nc1Br)I 7a_100000725334_100009817552 [0,2,0,0,0,0|1,1,0]=4 16077 B13R1.164 C[C@@H](O)COc1ccc(nc1Cl)Br 34a_100010246206_100009817552 [0,2,0,0,0,0|1,1,0]=4 16078 B13R1.164 C[C@@H](O)COc1ccc(nc1Cl)Br 7a_100010246206_100009817552 [0,2,0,0,0,0|1,1,0]=4 16079 B13R1.164 C[C@@H](O)COc1ccc(nc1Cl)Cl 34a_100000101165_100009817552 [0,2,0,0,0,0|1,0,0]=3 16080 B13R1.164 C[C@@H](O)COc1ccc(nc1Cl)Cl 7a_100000101165_100009817552 [0,2,0,0,0,0|1,0,0]=3 16081 B13R1.164 C[C@@H](O)COc1ccc(nc1Cl)I 34a_100000721234_100009817552 [0,2,0,0,0,0|1,1,0]=4 16082 B13R1.164 C[C@@H](O)COc1ccc(nc1Cl)I 7a_100000721234_100009817552 [0,2,0,0,0,0|1,1,0]=4 16083 B13R1.164 C[C@@H](O)COc1ccc(nc1F)Br 34a_100009819667_100009817552 [0,2,0,0,0,0|1,1,0]=4 16084 B13R1.164 C[C@@H](O)COc1ccc(nc1F)Br 7a_100009819667_100009817552 [0,2,0,0,0,0|1,1,0]=4 16085 B13R1.164 C[C@@H](O)COc1ccc(nc1F)Cl 34a_100009880201_100009817552 [0,2,0,0,0,0|1,0,0]=3 16086 B13R1.164 C[C@@H](O)COc1ccc(nc1F)Cl 7a_100009880201_100009817552 [0,2,0,0,0,0|1,0,0]=3 16087 B13R1.164 C[C@@H](O)COc1ccc(nc1F)F 34a_100000101184_100009817552 [0,2,0,0,0,0|1,1,0]=4 16088 B13R1.164 C[C@@H](O)COc1ccc(nc1F)F 7a_100000101184_100009817552 [0,2,0,0,0,0|1,1,0]=4 16089 B13R1.164 C[C@@H](O)COc1ccc(nc1I)Br 34a_100010253912_100009817552 [0,2,0,0,0,0|1,1,0]=4 16090 B13R1.164 C[C@@H](O)COc1ccc(nc1I)Br 7a_100010253912_100009817552 [0,2,0,0,0,0|1,1,0]=4 16091 B13R1.164 C[C@@H](O)COc1ccc(nc1I)Cl 34a_100000696390_100009817552 [0,2,0,0,0,0|1,0,0]=3 16092 B13R1.164 C[C@@H](O)COc1ccc(nc1I)Cl 7a_100000696390_100009817552 [0,2,0,0,0,0|1,0,0]=3 16093 B13R1.164 C[C@@H](O)COc1ccc(nc1I)F 34a_100010382442_100009817552 [0,2,0,0,0,0|1,1,0]=4 16094 B13R1.164 C[C@@H](O)COc1ccc(nc1I)F 7a_100010382442_100009817552 [0,2,0,0,0,0|1,1,0]=4 16095 B13R1.164 C[C@@H](O)COc1ccc(nc1N)Br 34a_100000685527_100009817552 [0,2,0,0,0,0|1,1,0]=4 16096 B13R1.164 C[C@@H](O)COc1ccc(nc1N)Br 7a_100000685527_100009817552 [0,2,0,0,0,0|1,1,0]=4 16097 B13R1.164 C[C@@H](O)COc1ccc(nc1N)Cl 34a_100000717809_100009817552 [0,2,0,0,0,0|1,0,0]=3 16098 B13R1.164 C[C@@H](O)COc1ccc(nc1N)Cl 7a_100000717809_100009817552 [0,2,0,0,0,0|1,0,0]=3 16099 B13R1.164 C[C@@H](O)COc1cnc(cc1Cl)Cl 34a_100009868576_100009817552 [0,2,0,0,0,0|1,0,0]=3 16100 B13R1.164 C[C@@H](O)COc1cnc(cc1Cl)Cl 7a_100009868576_100009817552 [0,2,0,0,0,0|1,0,0]=3 16101 B13R1.164 C[C@@H](O)COc1cnc(cc1F)F 34a_100009885687_100009817552 [0,2,0,0,0,0|1,1,0]=4 16102 B13R1.164 C[C@@H](O)COc1cnc(cc1F)F 7a_100009885687_100009817552 [0,2,0,0,0,0|1,1,0]=4 16103 B13R1.164 C[C@@H](O)COc1cnc(cc1I)Cl 34a_100000698892_100009817552 [0,2,0,0,0,0|1,0,0]=3 16104 B13R1.164 C[C@@H](O)COc1cnc(cc1I)Cl 7a_100000698892_100009817552 [0,2,0,0,0,0|1,0,0]=3 16105 B13R1.164 C[C@@H](O)COc1cnc(cc1N)Br 34a_100009819941_100009817552 [0,2,0,0,0,0|1,1,0]=4 16106 B13R1.164 C[C@@H](O)COc1cnc(cc1N)Br 7a_100009819941_100009817552 [0,2,0,0,0,0|1,1,0]=4 16107 B13R1.164 C[C@@H](O)COc1cnc(nc1Cl)Cl 34a_100010725077_100009817552 [0,2,0,0,0,0|2,0,0]=4 16108 B13R1.164 C[C@@H](O)COc1cnc(nc1Cl)Cl 7a_100010725077_100009817552 [0,2,0,0,0,0|2,0,0]=4 16109 B13R1.164 C[C@@H](O)COc1ncc(cc1Br)Br 34a_100000701035_100009817552 [0,2,0,0,0,0|1,1,0]=4 16110 B13R1.164 C[C@@H](O)COc1ncc(cc1Cl)Br 34a_100012339560_100009817552 [0,2,0,0,0,0|1,1,0]=4 16111 B13R1.164 C[C@@H](O)COc1ncc(cc1Cl)F 34a_100009847679_100009817552 [0,2,0,0,0,0|1,1,0]=4 16112 B13R1.164 C[C@@H](O)COc1ncc(cc1F)Cl 34a_100011998252_100009817552 [0,2,0,0,0,0|1,0,0]=3 16113 B13R1.164 C[C@@H](O)COc1ncc(cc1F)F 34a_100012025737_100009817552 [0,2,0,0,0,0|1,1,0]=4 16114 B13R1.164 C[C@@H](O)COc1ncc(cc1N)Br 34a_100000743729_100009817552 [0,2,0,0,0,0|1,1,0]=4 16115 B13R1.164 C[C@@H](O)COc1ncc(cc1N)Cl 34a_100011998249_100009817552 [0,2,0,0,0,0|1,0,0]=3 16116 B13R1.164 C[C@@H](O)CSc1ccc(cc1Br)Br 62a_100009817552_100011484698 [0,2,0,0,0,0|0,2,0]=4 16117 B13R1.164 C[C@@H](O)CSc1ccc(cc1Br)Br 62a_100011484698_100009817552 [0,2,0,0,0,0|0,2,0]=4 16118 B13R1.164 C[C@@H](O)CSc1ccc(cc1Br)Cl 62a_100009817552_100011219703 [0,2,0,0,0,0|0,1,0]=3 16119 B13R1.164 C[C@@H](O)CSc1ccc(cc1Br)Cl 62a_100011219703_100009817552 [0,2,0,0,0,0|0,1,0]=3 16120 B13R1.164 C[C@@H](O)CSc1ccc(cc1Br)F 62a_100009817552_100011217111 [0,2,0,0,0,0|0,2,0]=4 16121 B13R1.164 C[C@@H](O)CSc1ccc(cc1Br)F 62a_100011217111_100009817552 [0,2,0,0,0,0|0,2,0]=4 16122 B13R1.164 C[C@@H](O)CSc1ccc(cc1Br)N 62a_100000750458_100009817552 [0,2,0,0,0,0|1,1,0]=4 16123 B13R1.164 C[C@@H](O)CSc1ccc(cc1Br)N 62a_100009817552_100000750458 [0,2,0,0,0,0|1,1,0]=4 16124 B13R1.164 C[C@@H](O)CSc1ccc(cc1Br)O 62a_100000701344_100009817552 [0,2,0,0,0,0|1,1,0]=4 16125 B13R1.164 C[C@@H](O)CSc1ccc(cc1Br)O 62a_100009817552_100000701344 [0,2,0,0,0,0|1,1,0]=4 16126 B13R1.164 C[C@@H](O)CSc1ccc(cc1Cl)Br 62a_100009817552_100011216062 [0,2,0,0,0,0|0,2,0]=4 16127 B13R1.164 C[C@@H](O)CSc1ccc(cc1Cl)Br 62a_100011216062_100009817552 [0,2,0,0,0,0|0,2,0]=4 16128 B13R1.164 C[C@@H](O)CSc1ccc(cc1Cl)Cl 62a_100000699841_100009817552 [0,2,0,0,0,0|0,1,0]=3 16129 B13R1.164 C[C@@H](O)CSc1ccc(cc1Cl)Cl 62a_100009817552_100000699841 [0,2,0,0,0,0|0,1,0]=3 16130 B13R1.164 C[C@@H](O)CSc1ccc(cc1Cl)F 62a_100000733362_100009817552 [0,2,0,0,0,0|0,2,0]=4 16131 B13R1.164 C[C@@H](O)CSc1ccc(cc1Cl)F 62a_100009817552_100000733362 [0,2,0,0,0,0|0,2,0]=4 16132 B13R1.164 C[C@@H](O)CSc1ccc(cc1Cl)N 62a_100000761885_100009817552 [0,2,0,0,0,0|1,1,0]=4 16133 B13R1.164 C[C@@H](O)CSc1ccc(cc1Cl)N 62a_100009817552_100000761885 [0,2,0,0,0,0|1,1,0]=4 16134 B13R1.164 C[C@@H](O)CSc1ccc(cc1Cl)O 62a_100000047559_100009817552 [0,2,0,0,0,0|1,1,0]=4 16135 B13R1.164 C[C@@H](O)CSc1ccc(cc1Cl)O 62a_100009817552_100000047559 [0,2,0,0,0,0|1,1,0]=4 16136 B13R1.164 C[C@@H](O)CSc1ccc(cc1F)Br 62a_100009814013_100009817552 [0,2,0,0,0,0|0,2,0]=4 16137 B13R1.164 C[C@@H](O)CSc1ccc(cc1F)Br 62a_100009817552_100009814013 [0,2,0,0,0,0|0,2,0]=4 16138 B13R1.164 C[C@@H](O)CSc1ccc(cc1F)Cl 62a_100009817552_100011216042 [0,2,0,0,0,0|0,1,0]=3 16139 B13R1.164 C[C@@H](O)CSc1ccc(cc1F)Cl 62a_100011216042_100009817552 [0,2,0,0,0,0|0,1,0]=3 16140 B13R1.164 C[C@@H](O)CSc1ccc(cc1F)F 62a_100000750030_100009817552 [0,2,0,0,0,0|0,2,0]=4 16141 B13R1.164 C[C@@H](O)CSc1ccc(cc1F)F 62a_100009817552_100000750030 [0,2,0,0,0,0|0,2,0]=4 16142 B13R1.164 C[C@@H](O)CSc1ccc(cc1F)N 62a_100009817552_100011356925 [0,2,0,0,0,0|1,1,0]=4 16143 B13R1.164 C[C@@H](O)CSc1ccc(cc1F)N 62a_100011356925_100009817552 [0,2,0,0,0,0|1,1,0]=4 16144 B13R1.164 C[C@@H](O)CSc1ccc(cc1F)O 62a_100000755031_100009817552 [0,2,0,0,0,0|1,1,0]=4 16145 B13R1.164 C[C@@H](O)CSc1ccc(cc1F)O 62a_100009817552_100000755031 [0,2,0,0,0,0|1,1,0]=4 16146 B13R1.164 C[C@@H](O)CSc1ccc(cc1N)Br 62a_100000743836_100009817552 [0,2,0,0,0,0|0,2,0]=4 16147 B13R1.164 C[C@@H](O)CSc1ccc(cc1N)Br 62a_100009817552_100000743836 [0,2,0,0,0,0|0,2,0]=4 16148 B13R1.164 C[C@@H](O)CSc1ccc(cc1N)Cl 62a_100000761886_100009817552 [0,2,0,0,0,0|0,1,0]=3 16149 B13R1.164 C[C@@H](O)CSc1ccc(cc1N)Cl 62a_100009817552_100000761886 [0,2,0,0,0,0|0,1,0]=3 16150 B13R1.164 C[C@@H](O)CSc1ccc(cc1N)F 62a_100000687223_100009817552 [0,2,0,0,0,0|0,2,0]=4 16151 B13R1.164 C[C@@H](O)CSc1ccc(cc1N)F 62a_100009817552_100000687223 [0,2,0,0,0,0|0,2,0]=4 16152 B13R1.164 C[C@@H](O)CSc1ccc(cc1N)N 62a_100009817552_200012175722 [0,2,0,0,0,0|1,1,0]=4 16153 B13R1.164 C[C@@H](O)CSc1ccc(cc1N)N 62a_200012175722_100009817552 [0,2,0,0,0,0|1,1,0]=4 16154 B13R1.164 C[C@@H](O)CSc1ccc(cc1N)O 62a_100009817552_100011999798 [0,2,0,0,0,0|1,1,0]=4 16155 B13R1.164 C[C@@H](O)CSc1ccc(cc1N)O 62a_100011999798_100009817552 [0,2,0,0,0,0|1,1,0]=4 16156 B13R1.164 C[C@@H](O)CSc1ccc(cc1O)Br 62a_100009817552_100012344904 [0,2,0,0,0,0|0,2,0]=4 16157 B13R1.164 C[C@@H](O)CSc1ccc(cc1O)Br 62a_100012344904_100009817552 [0,2,0,0,0,0|0,2,0]=4 16158 B13R1.164 C[C@@H](O)CSc1ccc(cc1O)Cl 62a_100000050036_100009817552 [0,2,0,0,0,0|0,1,0]=3 16159 B13R1.164 C[C@@H](O)CSc1ccc(cc1O)Cl 62a_100009817552_100000050036 [0,2,0,0,0,0|0,1,0]=3 16160 B13R1.164 C[C@@H](O)CSc1ccc(cc1O)F 62a_100000690578_100009817552 [0,2,0,0,0,0|0,2,0]=4 16161 B13R1.164 C[C@@H](O)CSc1ccc(cc1O)F 62a_100009817552_100000690578 [0,2,0,0,0,0|0,2,0]=4 16162 B13R1.164 C[C@@H](O)CSc1ccc(cc1O)O 62a_100009817552_100009813921 [0,2,0,0,0,0|1,1,0]=4 16163 B13R1.164 C[C@@H](O)CSc1ccc(nc1Cl)Cl 62a_100009817552_100000043682 [0,2,0,0,0,0|1,1,0]=4 16164 B13R1.164 C[C@@H](O)CSc1ccc(nc1F)Cl 62a_100009817552_100010168078 [0,2,0,0,0,0|1,1,0]=4 16165 B13R1.164 C[C@@H](O)CSc1ccc(nc1F)Cl 62a_100010168078_100009817552 [0,2,0,0,0,0|1,1,0]=4 16166 B13R1.164 C[C@@H](O)CSc1ccc(nc1N)Cl 62a_100009817552_100010171640 [0,2,0,0,0,0|1,1,0]=4 16167 B13R1.164 C[C@@H](O)CSc1ccc(nc1N)Cl 62a_100010171640_100009817552 [0,2,0,0,0,0|1,1,0]=4 16168 B13R1.164 C[C@@H](O)CSc1cnc(cc1Cl)Cl 62a_100009817552_100010200927 [0,2,0,0,0,0|1,1,0]=4 16169 B13R1.164 C[C@@H](O)CSc1cnc(cc1Cl)Cl 62a_100010200927_100009817552 [0,2,0,0,0,0|1,1,0]=4 16170 B13R1.164 C[C@@H](O)CSc1cnc(cc1F)Cl 62a_100009817552_100010128100 [0,2,0,0,0,0|1,1,0]=4 16171 B13R1.164 C[C@@H](O)CSc1cnc(cc1F)Cl 62a_100010128100_100009817552 [0,2,0,0,0,0|1,1,0]=4 16172 B13R1.164 C[C@@H](O)CSc1cnc(cc1N)Cl 62a_100009817552_100010209552 [0,2,0,0,0,0|1,1,0]=4 16173 B13R1.164 C[C@@H](O)CSc1cnc(cc1N)Cl 62a_100010209552_100009817552 [0,2,0,0,0,0|1,1,0]=4 16174 B13R1.164 C[C@@H](O)CSc1ncc(cc1Br)Cl 62a_100009817552_100012154958 [0,2,0,0,0,0|1,1,0]=4 16175 B13R1.164 C[C@@H](O)CSc1ncc(cc1Br)Cl 62a_100012154958_100009817552 [0,2,0,0,0,0|1,1,0]=4 16176 B13R1.164 C[C@@H](O)CSc1ncc(cc1F)Cl 62a_100009817552_100012348686 [0,2,0,0,0,0|1,1,0]=4 16177 B13R1.164 C[C@@H](O)CSc1ncc(cc1F)Cl 62a_100012348686_100009817552 [0,2,0,0,0,0|1,1,0]=4 16178 B13R1.164 C[C@@H](O)CSc1ncc(cc1O)Cl 62a_100009817552_100010233512 [0,2,0,0,0,0|1,1,0]=4 16179 B13R1.164 C[C@@H](O)CSc1ncc(cc1O)Cl 62a_100010233512_100009817552 [0,2,0,0,0,0|1,1,0]=4 16180 B13R1.164 Cc1cc(=O)c(co1)OCC(C)O 34a_100000081520_100011218427 [0,2,0,0,0,0|2,0,0]=4 16181 B13R1.164 Cc1cc(=O)c(co1)OC[C@@H](C)O 34a_100000081520_100009817552 [0,2,0,0,0,0|2,0,0]=4 16182 B13R1.164 Cc1cc(c(cn1)OCC(C)O)Br 34a_100009843476_100011218427 [0,2,0,0,0,0|2,0,0]=4 16183 B13R1.164 Cc1cc(c(cn1)OCC(C)O)Br 7a_100009843476_100011218427 [0,2,0,0,0,0|2,0,0]=4 16184 B13R1.164 Cc1cc(c(cn1)OCC(C)O)C 34a_200000068632_100011218427 [0,2,0,0,0,0|2,0,0]=4 16185 B13R1.164 Cc1cc(c(cn1)OCC(C)O)C 7a_200000068632_100011218427 [0,2,0,0,0,0|2,0,0]=4 16186 B13R1.164 Cc1cc(c(cn1)OC[C@@H](C)O)Br 34a_100009843476_100009817552 [0,2,0,0,0,0|2,0,0]=4 16187 B13R1.164 Cc1cc(c(cn1)OC[C@@H](C)O)Br 7a_100009843476_100009817552 [0,2,0,0,0,0|2,0,0]=4 16188 B13R1.164 Cc1cc(c(cn1)OC[C@@H](C)O)C 34a_200000068632_100009817552 [0,2,0,0,0,0|2,0,0]=4 16189 B13R1.164 Cc1cc(c(cn1)OC[C@@H](C)O)C 7a_200000068632_100009817552 [0,2,0,0,0,0|2,0,0]=4 16190 B13R1.164 Cc1cc(ccc1C=CC(C)O)Cl 271570a_200011019289_100011219607 [0,2,0,0,0,0|1,0,1]=4 16191 B13R1.164 Cc1cc(ccc1NCC(C)C)Cl 34a_100000210418_100000210624 [0,2,0,0,0,0|2,0,0]=4 16192 B13R1.164 Cc1cc(ccc1NCC(C)C)Cl 7a_100000210418_100000210760 [0,2,0,0,0,0|2,0,0]=4 16193 B13R1.164 Cc1cc(ccc1NCC(C)O)Br 34a_100000211769_100011218427 [0,2,0,0,0,0|1,1,0]=4 16194 B13R1.164 Cc1cc(ccc1NCC(C)O)Br 7a_100000211769_100011218427 [0,2,0,0,0,0|1,1,0]=4 16195 B13R1.164 Cc1cc(ccc1NCC(C)O)Cl 34a_100000210418_100011218427 [0,2,0,0,0,0|1,0,0]=3 16196 B13R1.164 Cc1cc(ccc1NCC(C)O)Cl 7a_100000210418_100011218427 [0,2,0,0,0,0|1,0,0]=3 16197 B13R1.164 Cc1cc(ccc1NCC(C)O)F 34a_100000211637_100011218427 [0,2,0,0,0,0|1,1,0]=4 16198 B13R1.164 Cc1cc(ccc1NCC(C)O)F 7a_100000211637_100011218427 [0,2,0,0,0,0|1,1,0]=4 16199 B13R1.164 Cc1cc(ccc1NCC(C)O)I 34a_100000184554_100011218427 [0,2,0,0,0,0|1,1,0]=4 16200 B13R1.164 Cc1cc(ccc1NCC(C)O)I 7a_100000184554_100011218427 [0,2,0,0,0,0|1,1,0]=4 16201 B13R1.164 Cc1cc(ccc1NCC(C)O)O 34a_100000756630_100011218427 [0,2,0,0,0,0|2,0,0]=4 16202 B13R1.164 Cc1cc(ccc1NCC(F)F)Cl 34a_100000210418_100011934356 [0,2,0,0,0,0|2,0,0]=4 16203 B13R1.164 Cc1cc(ccc1NCC(F)F)Cl 7a_100000210418_100011934356 [0,2,0,0,0,0|2,0,0]=4 16204 B13R1.164 Cc1cc(ccc1NC[C@@H](C)O)Br 34a_100000211769_100009817552 [0,2,0,0,0,0|1,1,0]=4 16205 B13R1.164 Cc1cc(ccc1NC[C@@H](C)O)Br 7a_100000211769_100009817552 [0,2,0,0,0,0|1,1,0]=4 16206 B13R1.164 Cc1cc(ccc1NC[C@@H](C)O)Cl 34a_100000210418_100009817552 [0,2,0,0,0,0|1,0,0]=3 16207 B13R1.164 Cc1cc(ccc1NC[C@@H](C)O)Cl 7a_100000210418_100009817552 [0,2,0,0,0,0|1,0,0]=3 16208 B13R1.164 Cc1cc(ccc1NC[C@@H](C)O)F 34a_100000211637_100009817552 [0,2,0,0,0,0|1,1,0]=4 16209 B13R1.164 Cc1cc(ccc1NC[C@@H](C)O)F 7a_100000211637_100009817552 [0,2,0,0,0,0|1,1,0]=4 16210 B13R1.164 Cc1cc(ccc1NC[C@@H](C)O)I 34a_100000184554_100009817552 [0,2,0,0,0,0|1,1,0]=4 16211 B13R1.164 Cc1cc(ccc1NC[C@@H](C)O)I 7a_100000184554_100009817552 [0,2,0,0,0,0|1,1,0]=4 16212 B13R1.164 Cc1cc(ccc1NC[C@@H](C)O)O 34a_100000756630_100009817552 [0,2,0,0,0,0|2,0,0]=4 16213 B13R1.164 Cc1cc(ccc1OCC(=O)N)Cl 34a_100000211091_100000187820 [0,2,0,0,0,0|0,0,2]=4 16214 B13R1.164 Cc1cc(ccc1OCC(=O)N)Cl 7a_100000211091_100000187820 [0,2,0,0,0,0|0,0,2]=4 16215 B13R1.164 Cc1cc(ccc1OCC(=O)[13CH3])Cl 1458a_100000182498_200025704644 [0,2,0,0,0,0|0,0,2]=4 16216 B13R1.164 Cc1cc(ccc1OCC(=O)[O-])Cl 34a_100000211091_100020667443 [0,2,0,0,0,0|0,0,2]=4 16217 B13R1.164 Cc1cc(ccc1OCC(C)C)Br 34a_100000186361_100000210624 [0,2,0,0,0,0|1,1,0]=4 16218 B13R1.164 Cc1cc(ccc1OCC(C)C)Br 7a_100000186361_100000210760 [0,2,0,0,0,0|1,1,0]=4 16219 B13R1.164 Cc1cc(ccc1OCC(C)C)Cl 34a_100000211091_100000210624 [0,2,0,0,0,0|1,0,0]=3 16220 B13R1.164 Cc1cc(ccc1OCC(C)C)Cl 7a_100000211091_100000210760 [0,2,0,0,0,0|1,0,0]=3 16221 B13R1.164 Cc1cc(ccc1OCC(C)C)F 34a_100000764316_100000210624 [0,2,0,0,0,0|1,1,0]=4 16222 B13R1.164 Cc1cc(ccc1OCC(C)C)F 7a_100000764316_100000210760 [0,2,0,0,0,0|1,1,0]=4 16223 B13R1.164 Cc1cc(ccc1OCC(C)C)I 34a_100011218673_100000210624 [0,2,0,0,0,0|1,1,0]=4 16224 B13R1.164 Cc1cc(ccc1OCC(C)C)I 7a_100011218673_100000210760 [0,2,0,0,0,0|1,1,0]=4 16225 B13R1.164 Cc1cc(ccc1OCC(C)C)N 34a_100011218179_100000210624 [0,2,0,0,0,0|2,0,0]=4 16226 B13R1.164 Cc1cc(ccc1OCC(C)C)N 7a_100011218179_100000210760 [0,2,0,0,0,0|2,0,0]=4 16227 B13R1.164 Cc1cc(ccc1OCC(C)O)Br 34a_100000186361_100011218427 [0,2,0,0,0,0|0,1,0]=3 16228 B13R1.164 Cc1cc(ccc1OCC(C)O)Br 7a_100000186361_100011218427 [0,2,0,0,0,0|0,1,0]=3 16229 B13R1.164 Cc1cc(ccc1OCC(C)O)Cl 34a_100000211091_100011218427 [0,2,0,0,0,0|0,0,0]=2 16230 B13R1.164 Cc1cc(ccc1OCC(C)O)Cl 7a_100000211091_100011218427 [0,2,0,0,0,0|0,0,0]=2 16231 B13R1.164 Cc1cc(ccc1OCC(C)O)F 34a_100000764316_100011218427 [0,2,0,0,0,0|0,1,0]=3 16232 B13R1.164 Cc1cc(ccc1OCC(C)O)F 7a_100000764316_100011218427 [0,2,0,0,0,0|0,1,0]=3 16233 B13R1.164 Cc1cc(ccc1OCC(C)O)I 34a_100011218673_100011218427 [0,2,0,0,0,0|0,1,0]=3 16234 B13R1.164 Cc1cc(ccc1OCC(C)O)I 7a_100011218673_100011218427 [0,2,0,0,0,0|0,1,0]=3 16235 B13R1.164 Cc1cc(ccc1OCC(C)O)N 34a_100011218179_100011218427 [0,2,0,0,0,0|1,0,0]=3 16236 B13R1.164 Cc1cc(ccc1OCC(C)O)N 7a_100011218179_100011218427 [0,2,0,0,0,0|1,0,0]=3 16237 B13R1.164 Cc1cc(ccc1OCC(F)F)Br 34a_100000186361_100011934356 [0,2,0,0,0,0|1,1,0]=4 16238 B13R1.164 Cc1cc(ccc1OCC(F)F)Br 7a_100000186361_100011934356 [0,2,0,0,0,0|1,1,0]=4 16239 B13R1.164 Cc1cc(ccc1OCC(F)F)Cl 34a_100000211091_100011934356 [0,2,0,0,0,0|1,0,0]=3 16240 B13R1.164 Cc1cc(ccc1OCC(F)F)Cl 7a_100000211091_100011934356 [0,2,0,0,0,0|1,0,0]=3 16241 B13R1.164 Cc1cc(ccc1OCC(F)F)F 34a_100000764316_100011934356 [0,2,0,0,0,0|1,1,0]=4 16242 B13R1.164 Cc1cc(ccc1OCC(F)F)F 7a_100000764316_100011934356 [0,2,0,0,0,0|1,1,0]=4 16243 B13R1.164 Cc1cc(ccc1OCC(F)F)I 34a_100011218673_100011934356 [0,2,0,0,0,0|1,1,0]=4 16244 B13R1.164 Cc1cc(ccc1OCC(F)F)I 7a_100011218673_100011934356 [0,2,0,0,0,0|1,1,0]=4 16245 B13R1.164 Cc1cc(ccc1OCC(F)F)N 34a_100011218179_100011934356 [0,2,0,0,0,0|2,0,0]=4 16246 B13R1.164 Cc1cc(ccc1OCC(F)F)N 7a_100011218179_100011934356 [0,2,0,0,0,0|2,0,0]=4 16247 B13R1.164 Cc1cc(ccc1OC[C@@H](C)O)Br 34a_100000186361_100009817552 [0,2,0,0,0,0|0,1,0]=3 16248 B13R1.164 Cc1cc(ccc1OC[C@@H](C)O)Br 7a_100000186361_100009817552 [0,2,0,0,0,0|0,1,0]=3 16249 B13R1.164 Cc1cc(ccc1OC[C@@H](C)O)Cl 34a_100000211091_100009817552 [0,2,0,0,0,0|0,0,0]=2 16250 B13R1.164 Cc1cc(ccc1OC[C@@H](C)O)Cl 7a_100000211091_100009817552 [0,2,0,0,0,0|0,0,0]=2 16251 B13R1.164 Cc1cc(ccc1OC[C@@H](C)O)F 34a_100000764316_100009817552 [0,2,0,0,0,0|0,1,0]=3 16252 B13R1.164 Cc1cc(ccc1OC[C@@H](C)O)F 7a_100000764316_100009817552 [0,2,0,0,0,0|0,1,0]=3 16253 B13R1.164 Cc1cc(ccc1OC[C@@H](C)O)I 34a_100011218673_100009817552 [0,2,0,0,0,0|0,1,0]=3 16254 B13R1.164 Cc1cc(ccc1OC[C@@H](C)O)I 7a_100011218673_100009817552 [0,2,0,0,0,0|0,1,0]=3 16255 B13R1.164 Cc1cc(ccc1OC[C@@H](C)O)N 34a_100011218179_100009817552 [0,2,0,0,0,0|1,0,0]=3 16256 B13R1.164 Cc1cc(ccc1OC[C@@H](C)O)N 7a_100011218179_100009817552 [0,2,0,0,0,0|1,0,0]=3 16257 B13R1.164 Cc1cc(ccc1OC[N+](=O)[O-])Cl 34a_100000211091_100000761209 [0,2,0,0,0,0|1,0,1]=4 16258 B13R1.164 Cc1cc(ccc1SCC(C)C)Cl 62a_100000210624_100011219607 [0,2,0,0,0,0|1,1,0]=4 16259 B13R1.164 Cc1cc(ccc1SCC(C)C)Cl 62a_100011219607_100000210760 [0,2,0,0,0,0|1,1,0]=4 16260 B13R1.164 Cc1cc(ccc1SCC(C)O)Br 62a_100000701812_100011218427 [0,2,0,0,0,0|0,2,0]=4 16261 B13R1.164 Cc1cc(ccc1SCC(C)O)Br 62a_100011218427_100000701812 [0,2,0,0,0,0|0,2,0]=4 16262 B13R1.164 Cc1cc(ccc1SCC(C)O)Cl 62a_100011218427_100011219607 [0,2,0,0,0,0|0,1,0]=3 16263 B13R1.164 Cc1cc(ccc1SCC(C)O)Cl 62a_100011219607_100011218427 [0,2,0,0,0,0|0,1,0]=3 16264 B13R1.164 Cc1cc(ccc1SCC(C)O)F 62a_100011205405_100011218427 [0,2,0,0,0,0|0,2,0]=4 16265 B13R1.164 Cc1cc(ccc1SCC(C)O)F 62a_100011218427_100011205405 [0,2,0,0,0,0|0,2,0]=4 16266 B13R1.164 Cc1cc(ccc1SCC(C)O)N 62a_100000210723_100011218427 [0,2,0,0,0,0|1,1,0]=4 16267 B13R1.164 Cc1cc(ccc1SCC(C)O)N 62a_100011218427_100000210723 [0,2,0,0,0,0|1,1,0]=4 16268 B13R1.164 Cc1cc(ccc1SCC(C)O)O 62a_100011218427_100000690111 [0,2,0,0,0,0|1,1,0]=4 16269 B13R1.164 Cc1cc(ccc1SCC(F)F)Cl 62a_100011219607_100011934356 [0,2,0,0,0,0|1,1,0]=4 16270 B13R1.164 Cc1cc(ccc1SCC(F)F)Cl 62a_100011934356_100011219607 [0,2,0,0,0,0|1,1,0]=4 16271 B13R1.164 Cc1cc(ccc1SC[C@@H](C)O)Br 62a_100000701812_100009817552 [0,2,0,0,0,0|0,2,0]=4 16272 B13R1.164 Cc1cc(ccc1SC[C@@H](C)O)Br 62a_100009817552_100000701812 [0,2,0,0,0,0|0,2,0]=4 16273 B13R1.164 Cc1cc(ccc1SC[C@@H](C)O)Cl 62a_100009817552_100011219607 [0,2,0,0,0,0|0,1,0]=3 16274 B13R1.164 Cc1cc(ccc1SC[C@@H](C)O)Cl 62a_100011219607_100009817552 [0,2,0,0,0,0|0,1,0]=3 16275 B13R1.164 Cc1cc(ccc1SC[C@@H](C)O)F 62a_100009817552_100011205405 [0,2,0,0,0,0|0,2,0]=4 16276 B13R1.164 Cc1cc(ccc1SC[C@@H](C)O)F 62a_100011205405_100009817552 [0,2,0,0,0,0|0,2,0]=4 16277 B13R1.164 Cc1cc(ccc1SC[C@@H](C)O)N 62a_100000210723_100009817552 [0,2,0,0,0,0|1,1,0]=4 16278 B13R1.164 Cc1cc(ccc1SC[C@@H](C)O)N 62a_100009817552_100000210723 [0,2,0,0,0,0|1,1,0]=4 16279 B13R1.164 Cc1cc(ccc1SC[C@@H](C)O)O 62a_100009817552_100000690111 [0,2,0,0,0,0|1,1,0]=4 16280 B13R1.164 Cc1cc(cnc1OCC(C)O)Br 34a_100000685391_100011218427 [0,2,0,0,0,0|1,1,0]=4 16281 B13R1.164 Cc1cc(cnc1OC[C@@H](C)O)Br 34a_100000685391_100009817552 [0,2,0,0,0,0|1,1,0]=4 16282 B13R1.164 Cc1cc(ncc1OCC(C)C)Cl 34a_100000692680_100000210624 [0,2,0,0,0,0|2,0,0]=4 16283 B13R1.164 Cc1cc(ncc1OCC(C)C)Cl 7a_100000692680_100000210760 [0,2,0,0,0,0|2,0,0]=4 16284 B13R1.164 Cc1cc(ncc1OCC(C)O)Cl 34a_100000692680_100011218427 [0,2,0,0,0,0|1,0,0]=3 16285 B13R1.164 Cc1cc(ncc1OCC(C)O)Cl 7a_100000692680_100011218427 [0,2,0,0,0,0|1,0,0]=3 16286 B13R1.164 Cc1cc(ncc1OCC(C)O)F 34a_100009856773_100011218427 [0,2,0,0,0,0|1,1,0]=4 16287 B13R1.164 Cc1cc(ncc1OCC(C)O)F 7a_100009856773_100011218427 [0,2,0,0,0,0|1,1,0]=4 16288 B13R1.164 Cc1cc(ncc1OCC(F)F)Cl 34a_100000692680_100011934356 [0,2,0,0,0,0|2,0,0]=4 16289 B13R1.164 Cc1cc(ncc1OCC(F)F)Cl 7a_100000692680_100011934356 [0,2,0,0,0,0|2,0,0]=4 16290 B13R1.164 Cc1cc(ncc1OC[C@@H](C)O)Cl 34a_100000692680_100009817552 [0,2,0,0,0,0|1,0,0]=3 16291 B13R1.164 Cc1cc(ncc1OC[C@@H](C)O)Cl 7a_100000692680_100009817552 [0,2,0,0,0,0|1,0,0]=3 16292 B13R1.164 Cc1cc(ncc1OC[C@@H](C)O)F 34a_100009856773_100009817552 [0,2,0,0,0,0|1,1,0]=4 16293 B13R1.164 Cc1cc(ncc1OC[C@@H](C)O)F 7a_100009856773_100009817552 [0,2,0,0,0,0|1,1,0]=4 16294 B13R1.164 Cc1cc(ncc1SCC(C)O)Cl 62a_100010172789_100011218427 [0,2,0,0,0,0|1,1,0]=4 16295 B13R1.164 Cc1cc(ncc1SCC(C)O)Cl 62a_100011218427_100010172789 [0,2,0,0,0,0|1,1,0]=4 16296 B13R1.164 Cc1cc(ncc1SC[C@@H](C)O)Cl 62a_100009817552_100010172789 [0,2,0,0,0,0|1,1,0]=4 16297 B13R1.164 Cc1cc(ncc1SC[C@@H](C)O)Cl 62a_100010172789_100009817552 [0,2,0,0,0,0|1,1,0]=4 16298 B13R1.164 Cc1ccc(c(c1)Br)NCC(C)O 34a_100000210942_100011218427 [0,2,0,0,0,0|2,0,0]=4 16299 B13R1.164 Cc1ccc(c(c1)Br)NC[C@@H](C)O 34a_100000210942_100009817552 [0,2,0,0,0,0|2,0,0]=4 16300 B13R1.164 Cc1ccc(c(c1)Br)OCC(C)C 34a_100000210800_100000210624 [0,2,0,0,0,0|2,0,0]=4 16301 B13R1.164 Cc1ccc(c(c1)Br)OCC(C)C 7a_100000210800_100000210760 [0,2,0,0,0,0|2,0,0]=4 16302 B13R1.164 Cc1ccc(c(c1)Br)OCC(C)O 34a_100000210800_100011218427 [0,2,0,0,0,0|1,0,0]=3 16303 B13R1.164 Cc1ccc(c(c1)Br)OCC(C)O 7a_100000210800_100011218427 [0,2,0,0,0,0|1,0,0]=3 16304 B13R1.164 Cc1ccc(c(c1)Br)OCC(F)F 34a_100000210800_100011934356 [0,2,0,0,0,0|2,0,0]=4 16305 B13R1.164 Cc1ccc(c(c1)Br)OCC(F)F 7a_100000210800_100011934356 [0,2,0,0,0,0|2,0,0]=4 16306 B13R1.164 Cc1ccc(c(c1)Br)OC[C@@H](C)O 34a_100000210800_100009817552 [0,2,0,0,0,0|1,0,0]=3 16307 B13R1.164 Cc1ccc(c(c1)Br)OC[C@@H](C)O 7a_100000210800_100009817552 [0,2,0,0,0,0|1,0,0]=3 16308 B13R1.164 Cc1ccc(c(c1)Br)SCC(C)O 62a_100009813563_100011218427 [0,2,0,0,0,0|1,1,0]=4 16309 B13R1.164 Cc1ccc(c(c1)Br)SCC(C)O 62a_100011218427_100009813563 [0,2,0,0,0,0|1,1,0]=4 16310 B13R1.164 Cc1ccc(c(c1)Br)SC[C@@H](C)O 62a_100009813563_100009817552 [0,2,0,0,0,0|1,1,0]=4 16311 B13R1.164 Cc1ccc(c(c1)Br)SC[C@@H](C)O 62a_100009817552_100009813563 [0,2,0,0,0,0|1,1,0]=4 16312 B13R1.164 Cc1ccc(c(c1)C)NCC(C)O 34a_100000736561_100011218427 [0,2,0,0,0,0|2,0,0]=4 16313 B13R1.164 Cc1ccc(c(c1)C)NCC(C)O 7a_100000736561_100011218427 [0,2,0,0,0,0|2,0,0]=4 16314 B13R1.164 Cc1ccc(c(c1)C)NC[C@@H](C)O 34a_100000736561_100009817552 [0,2,0,0,0,0|2,0,0]=4 16315 B13R1.164 Cc1ccc(c(c1)C)NC[C@@H](C)O 7a_100000736561_100009817552 [0,2,0,0,0,0|2,0,0]=4 16316 B13R1.164 Cc1ccc(c(c1)C)OCC(C)C 34a_100000211776_100000210624 [0,2,0,0,0,0|2,0,0]=4 16317 B13R1.164 Cc1ccc(c(c1)C)OCC(C)C 7a_100000211776_100000210760 [0,2,0,0,0,0|2,0,0]=4 16318 B13R1.164 Cc1ccc(c(c1)C)OCC(C)O 34a_100000211776_100011218427 [0,2,0,0,0,0|1,0,0]=3 16319 B13R1.164 Cc1ccc(c(c1)C)OCC(C)O 7a_100000211776_100011218427 [0,2,0,0,0,0|1,0,0]=3 16320 B13R1.164 Cc1ccc(c(c1)C)OCC(F)F 34a_100000211776_100011934356 [0,2,0,0,0,0|2,0,0]=4 16321 B13R1.164 Cc1ccc(c(c1)C)OCC(F)F 7a_100000211776_100011934356 [0,2,0,0,0,0|2,0,0]=4 16322 B13R1.164 Cc1ccc(c(c1)C)OC[C@@H](C)O 34a_100000211776_100009817552 [0,2,0,0,0,0|1,0,0]=3 16323 B13R1.164 Cc1ccc(c(c1)C)OC[C@@H](C)O 7a_100000211776_100009817552 [0,2,0,0,0,0|1,0,0]=3 16324 B13R1.164 Cc1ccc(c(c1)C)SCC(C)O 62a_100011217332_100011218427 [0,2,0,0,0,0|1,1,0]=4 16325 B13R1.164 Cc1ccc(c(c1)C)SCC(C)O 62a_100011218427_100011217332 [0,2,0,0,0,0|1,1,0]=4 16326 B13R1.164 Cc1ccc(c(c1)C)SC[C@@H](C)O 62a_100009817552_100011217332 [0,2,0,0,0,0|1,1,0]=4 16327 B13R1.164 Cc1ccc(c(c1)C)SC[C@@H](C)O 62a_100011217332_100009817552 [0,2,0,0,0,0|1,1,0]=4 16328 B13R1.164 Cc1ccc(c(c1)Cl)NCC(C)O 34a_100000210522_100011218427 [0,2,0,0,0,0|2,0,0]=4 16329 B13R1.164 Cc1ccc(c(c1)Cl)NC[C@@H](C)O 34a_100000210522_100009817552 [0,2,0,0,0,0|2,0,0]=4 16330 B13R1.164 Cc1ccc(c(c1)Cl)OCC(C)C 34a_100000749699_100000210624 [0,2,0,0,0,0|2,0,0]=4 16331 B13R1.164 Cc1ccc(c(c1)Cl)OCC(C)C 7a_100000749699_100000210760 [0,2,0,0,0,0|2,0,0]=4 16332 B13R1.164 Cc1ccc(c(c1)Cl)OCC(C)O 34a_100000749699_100011218427 [0,2,0,0,0,0|1,0,0]=3 16333 B13R1.164 Cc1ccc(c(c1)Cl)OCC(C)O 7a_100000749699_100011218427 [0,2,0,0,0,0|1,0,0]=3 16334 B13R1.164 Cc1ccc(c(c1)Cl)OCC(F)F 34a_100000749699_100011934356 [0,2,0,0,0,0|2,0,0]=4 16335 B13R1.164 Cc1ccc(c(c1)Cl)OCC(F)F 7a_100000749699_100011934356 [0,2,0,0,0,0|2,0,0]=4 16336 B13R1.164 Cc1ccc(c(c1)Cl)OC[C@@H](C)O 34a_100000749699_100009817552 [0,2,0,0,0,0|1,0,0]=3 16337 B13R1.164 Cc1ccc(c(c1)Cl)OC[C@@H](C)O 7a_100000749699_100009817552 [0,2,0,0,0,0|1,0,0]=3 16338 B13R1.164 Cc1ccc(c(c1)Cl)SCC(C)O 62a_100011218427_100011263221 [0,2,0,0,0,0|1,1,0]=4 16339 B13R1.164 Cc1ccc(c(c1)Cl)SCC(C)O 62a_100011263221_100011218427 [0,2,0,0,0,0|1,1,0]=4 16340 B13R1.164 Cc1ccc(c(c1)Cl)SC[C@@H](C)O 62a_100009817552_100011263221 [0,2,0,0,0,0|1,1,0]=4 16341 B13R1.164 Cc1ccc(c(c1)Cl)SC[C@@H](C)O 62a_100011263221_100009817552 [0,2,0,0,0,0|1,1,0]=4 16342 B13R1.164 Cc1ccc(c(c1)F)NCC(C)O 34a_100000211023_100011218427 [0,2,0,0,0,0|2,0,0]=4 16343 B13R1.164 Cc1ccc(c(c1)F)NC[C@@H](C)O 34a_100000211023_100009817552 [0,2,0,0,0,0|2,0,0]=4 16344 B13R1.164 Cc1ccc(c(c1)F)OCC(C)C 34a_100011216688_100000210624 [0,2,0,0,0,0|2,0,0]=4 16345 B13R1.164 Cc1ccc(c(c1)F)OCC(C)C 7a_100011216688_100000210760 [0,2,0,0,0,0|2,0,0]=4 16346 B13R1.164 Cc1ccc(c(c1)F)OCC(C)O 34a_100011216688_100011218427 [0,2,0,0,0,0|1,0,0]=3 16347 B13R1.164 Cc1ccc(c(c1)F)OCC(C)O 7a_100011216688_100011218427 [0,2,0,0,0,0|1,0,0]=3 16348 B13R1.164 Cc1ccc(c(c1)F)OCC(F)F 34a_100011216688_100011934356 [0,2,0,0,0,0|2,0,0]=4 16349 B13R1.164 Cc1ccc(c(c1)F)OCC(F)F 7a_100011216688_100011934356 [0,2,0,0,0,0|2,0,0]=4 16350 B13R1.164 Cc1ccc(c(c1)F)OC[C@@H](C)O 34a_100011216688_100009817552 [0,2,0,0,0,0|1,0,0]=3 16351 B13R1.164 Cc1ccc(c(c1)F)OC[C@@H](C)O 7a_100011216688_100009817552 [0,2,0,0,0,0|1,0,0]=3 16352 B13R1.164 Cc1ccc(c(c1)F)SCC(C)O 62a_100011216119_100011218427 [0,2,0,0,0,0|1,1,0]=4 16353 B13R1.164 Cc1ccc(c(c1)F)SCC(C)O 62a_100011218427_100011216119 [0,2,0,0,0,0|1,1,0]=4 16354 B13R1.164 Cc1ccc(c(c1)F)SC[C@@H](C)O 62a_100009817552_100011216119 [0,2,0,0,0,0|1,1,0]=4 16355 B13R1.164 Cc1ccc(c(c1)F)SC[C@@H](C)O 62a_100011216119_100009817552 [0,2,0,0,0,0|1,1,0]=4 16356 B13R1.164 Cc1ccc(c(c1)I)NCC(C)O 34a_100011356834_100011218427 [0,2,0,0,0,0|2,0,0]=4 16357 B13R1.164 Cc1ccc(c(c1)I)NC[C@@H](C)O 34a_100011356834_100009817552 [0,2,0,0,0,0|2,0,0]=4 16358 B13R1.164 Cc1ccc(c(c1)I)OCC(C)C 34a_100000765521_100000210624 [0,2,0,0,0,0|2,0,0]=4 16359 B13R1.164 Cc1ccc(c(c1)I)OCC(C)C 7a_100000765521_100000210760 [0,2,0,0,0,0|2,0,0]=4 16360 B13R1.164 Cc1ccc(c(c1)I)OCC(C)O 34a_100000765521_100011218427 [0,2,0,0,0,0|1,0,0]=3 16361 B13R1.164 Cc1ccc(c(c1)I)OCC(C)O 7a_100000765521_100011218427 [0,2,0,0,0,0|1,0,0]=3 16362 B13R1.164 Cc1ccc(c(c1)I)OCC(F)F 34a_100000765521_100011934356 [0,2,0,0,0,0|2,0,0]=4 16363 B13R1.164 Cc1ccc(c(c1)I)OCC(F)F 7a_100000765521_100011934356 [0,2,0,0,0,0|2,0,0]=4 16364 B13R1.164 Cc1ccc(c(c1)I)OC[C@@H](C)O 34a_100000765521_100009817552 [0,2,0,0,0,0|1,0,0]=3 16365 B13R1.164 Cc1ccc(c(c1)I)OC[C@@H](C)O 7a_100000765521_100009817552 [0,2,0,0,0,0|1,0,0]=3 16366 B13R1.164 Cc1ccc(c(c1)N)OCC(C)C 34a_100011215204_100000210624 [0,2,0,0,0,0|2,0,0]=4 16367 B13R1.164 Cc1ccc(c(c1)N)OCC(C)C 7a_100011215204_100000210760 [0,2,0,0,0,0|2,0,0]=4 16368 B13R1.164 Cc1ccc(c(c1)N)OCC(C)O 34a_100011215204_100011218427 [0,2,0,0,0,0|1,0,0]=3 16369 B13R1.164 Cc1ccc(c(c1)N)OCC(C)O 7a_100011215204_100011218427 [0,2,0,0,0,0|1,0,0]=3 16370 B13R1.164 Cc1ccc(c(c1)N)OCC(F)F 34a_100011215204_100011934356 [0,2,0,0,0,0|2,0,0]=4 16371 B13R1.164 Cc1ccc(c(c1)N)OCC(F)F 7a_100011215204_100011934356 [0,2,0,0,0,0|2,0,0]=4 16372 B13R1.164 Cc1ccc(c(c1)N)OC[C@@H](C)O 34a_100011215204_100009817552 [0,2,0,0,0,0|1,0,0]=3 16373 B13R1.164 Cc1ccc(c(c1)N)OC[C@@H](C)O 7a_100011215204_100009817552 [0,2,0,0,0,0|1,0,0]=3 16374 B13R1.164 Cc1ccc(c(c1)N)SCC(C)O 62a_100011216686_100011218427 [0,2,0,0,0,0|1,1,0]=4 16375 B13R1.164 Cc1ccc(c(c1)N)SCC(C)O 62a_100011218427_100011216686 [0,2,0,0,0,0|1,1,0]=4 16376 B13R1.164 Cc1ccc(c(c1)N)SC[C@@H](C)O 62a_100009817552_100011216686 [0,2,0,0,0,0|1,1,0]=4 16377 B13R1.164 Cc1ccc(c(c1)N)SC[C@@H](C)O 62a_100011216686_100009817552 [0,2,0,0,0,0|1,1,0]=4 16378 B13R1.164 Cc1ccc(c(c1)O)NCC(C)O 34a_100000211527_100011218427 [0,2,0,0,0,0|2,0,0]=4 16379 B13R1.164 Cc1ccc(c(c1)O)NC[C@@H](C)O 34a_100000211527_100009817552 [0,2,0,0,0,0|2,0,0]=4 16380 B13R1.164 Cc1ccc(c(c1)O)SCC(C)O 62a_100011218427_100012002257 [0,2,0,0,0,0|1,1,0]=4 16381 B13R1.164 Cc1ccc(c(c1)O)SCC(C)O 62a_100012002257_100011218427 [0,2,0,0,0,0|1,1,0]=4 16382 B13R1.164 Cc1ccc(c(c1)O)SC[C@@H](C)O 62a_100009817552_100012002257 [0,2,0,0,0,0|1,1,0]=4 16383 B13R1.164 Cc1ccc(c(c1)O)SC[C@@H](C)O 62a_100012002257_100009817552 [0,2,0,0,0,0|1,1,0]=4 16384 B13R1.164 Cc1ccc(c(n1)Br)OCC(C)O 34a_100000702858_100011218427 [0,2,0,0,0,0|2,0,0]=4 16385 B13R1.164 Cc1ccc(c(n1)Br)OCC(C)O 7a_100000702858_100011218427 [0,2,0,0,0,0|2,0,0]=4 16386 B13R1.164 Cc1ccc(c(n1)Br)OC[C@@H](C)O 34a_100000702858_100009817552 [0,2,0,0,0,0|2,0,0]=4 16387 B13R1.164 Cc1ccc(c(n1)Br)OC[C@@H](C)O 7a_100000702858_100009817552 [0,2,0,0,0,0|2,0,0]=4 16388 B13R1.164 Cc1ccc(c(n1)C)OCC(C)O 34a_100011218912_100011218427 [0,2,0,0,0,0|2,0,0]=4 16389 B13R1.164 Cc1ccc(c(n1)C)OCC(C)O 7a_100011218912_100011218427 [0,2,0,0,0,0|2,0,0]=4 16390 B13R1.164 Cc1ccc(c(n1)C)OC[C@@H](C)O 34a_100011218912_100009817552 [0,2,0,0,0,0|2,0,0]=4 16391 B13R1.164 Cc1ccc(c(n1)C)OC[C@@H](C)O 7a_100011218912_100009817552 [0,2,0,0,0,0|2,0,0]=4 16392 B13R1.164 Cc1ccc(c(n1)Cl)OCC(C)O 34a_100000086286_100011218427 [0,2,0,0,0,0|2,0,0]=4 16393 B13R1.164 Cc1ccc(c(n1)Cl)OCC(C)O 7a_100000086286_100011218427 [0,2,0,0,0,0|2,0,0]=4 16394 B13R1.164 Cc1ccc(c(n1)Cl)OC[C@@H](C)O 34a_100000086286_100009817552 [0,2,0,0,0,0|2,0,0]=4 16395 B13R1.164 Cc1ccc(c(n1)Cl)OC[C@@H](C)O 7a_100000086286_100009817552 [0,2,0,0,0,0|2,0,0]=4 16396 B13R1.164 Cc1ccc(c(n1)F)OCC(C)O 34a_100000079963_100011218427 [0,2,0,0,0,0|2,0,0]=4 16397 B13R1.164 Cc1ccc(c(n1)F)OCC(C)O 7a_100000079963_100011218427 [0,2,0,0,0,0|2,0,0]=4 16398 B13R1.164 Cc1ccc(c(n1)F)OC[C@@H](C)O 34a_100000079963_100009817552 [0,2,0,0,0,0|2,0,0]=4 16399 B13R1.164 Cc1ccc(c(n1)F)OC[C@@H](C)O 7a_100000079963_100009817552 [0,2,0,0,0,0|2,0,0]=4 16400 B13R1.164 Cc1ccc(c(n1)I)OCC(C)O 34a_100000023897_100011218427 [0,2,0,0,0,0|2,0,0]=4 16401 B13R1.164 Cc1ccc(c(n1)I)OCC(C)O 7a_100000023897_100011218427 [0,2,0,0,0,0|2,0,0]=4 16402 B13R1.164 Cc1ccc(c(n1)I)OC[C@@H](C)O 34a_100000023897_100009817552 [0,2,0,0,0,0|2,0,0]=4 16403 B13R1.164 Cc1ccc(c(n1)I)OC[C@@H](C)O 7a_100000023897_100009817552 [0,2,0,0,0,0|2,0,0]=4 16404 B13R1.164 Cc1ccc(c(n1)N)OCC(C)O 34a_100000694039_100011218427 [0,2,0,0,0,0|2,0,0]=4 16405 B13R1.164 Cc1ccc(c(n1)N)OCC(C)O 7a_100000694039_100011218427 [0,2,0,0,0,0|2,0,0]=4 16406 B13R1.164 Cc1ccc(c(n1)N)OC[C@@H](C)O 34a_100000694039_100009817552 [0,2,0,0,0,0|2,0,0]=4 16407 B13R1.164 Cc1ccc(c(n1)N)OC[C@@H](C)O 7a_100000694039_100009817552 [0,2,0,0,0,0|2,0,0]=4 16408 B13R1.164 Cc1cnc(c(c1)Br)OCC(C)O 34a_100000719714_100011218427 [0,2,0,0,0,0|2,0,0]=4 16409 B13R1.164 Cc1cnc(c(c1)Br)OC[C@@H](C)O 34a_100000719714_100009817552 [0,2,0,0,0,0|2,0,0]=4 16410 B13R1.164 Cc1cnc(c(c1)N)OCC(C)O 34a_100012000488_100011218427 [0,2,0,0,0,0|2,0,0]=4 16411 B13R1.164 Cc1cnc(c(c1)N)OC[C@@H](C)O 34a_100012000488_100009817552 [0,2,0,0,0,0|2,0,0]=4 16412 B13R1.164 Cc1nc(ccc1OCC(C)C)Cl 34a_100012184626_100000210624 [0,2,0,0,0,0|2,0,0]=4 16413 B13R1.164 Cc1nc(ccc1OCC(C)C)Cl 7a_100012184626_100000210760 [0,2,0,0,0,0|2,0,0]=4 16414 B13R1.164 Cc1nc(ccc1OCC(C)O)Br 34a_100012002022_100011218427 [0,2,0,0,0,0|1,1,0]=4 16415 B13R1.164 Cc1nc(ccc1OCC(C)O)Br 7a_100012002022_100011218427 [0,2,0,0,0,0|1,1,0]=4 16416 B13R1.164 Cc1nc(ccc1OCC(C)O)Cl 34a_100012184626_100011218427 [0,2,0,0,0,0|1,0,0]=3 16417 B13R1.164 Cc1nc(ccc1OCC(C)O)Cl 7a_100012184626_100011218427 [0,2,0,0,0,0|1,0,0]=3 16418 B13R1.164 Cc1nc(ccc1OCC(C)O)F 34a_100009881036_100011218427 [0,2,0,0,0,0|1,1,0]=4 16419 B13R1.164 Cc1nc(ccc1OCC(C)O)F 7a_100009881036_100011218427 [0,2,0,0,0,0|1,1,0]=4 16420 B13R1.164 Cc1nc(ccc1OCC(C)O)I 34a_100010233687_100011218427 [0,2,0,0,0,0|1,1,0]=4 16421 B13R1.164 Cc1nc(ccc1OCC(C)O)I 7a_100010233687_100011218427 [0,2,0,0,0,0|1,1,0]=4 16422 B13R1.164 Cc1nc(ccc1OCC(F)F)Cl 34a_100012184626_100011934356 [0,2,0,0,0,0|2,0,0]=4 16423 B13R1.164 Cc1nc(ccc1OCC(F)F)Cl 7a_100012184626_100011934356 [0,2,0,0,0,0|2,0,0]=4 16424 B13R1.164 Cc1nc(ccc1OC[C@@H](C)O)Br 34a_100012002022_100009817552 [0,2,0,0,0,0|1,1,0]=4 16425 B13R1.164 Cc1nc(ccc1OC[C@@H](C)O)Br 7a_100012002022_100009817552 [0,2,0,0,0,0|1,1,0]=4 16426 B13R1.164 Cc1nc(ccc1OC[C@@H](C)O)Cl 34a_100012184626_100009817552 [0,2,0,0,0,0|1,0,0]=3 16427 B13R1.164 Cc1nc(ccc1OC[C@@H](C)O)Cl 7a_100012184626_100009817552 [0,2,0,0,0,0|1,0,0]=3 16428 B13R1.164 Cc1nc(ccc1OC[C@@H](C)O)F 34a_100009881036_100009817552 [0,2,0,0,0,0|1,1,0]=4 16429 B13R1.164 Cc1nc(ccc1OC[C@@H](C)O)F 7a_100009881036_100009817552 [0,2,0,0,0,0|1,1,0]=4 16430 B13R1.164 Cc1nc(ccc1OC[C@@H](C)O)I 34a_100010233687_100009817552 [0,2,0,0,0,0|1,1,0]=4 16431 B13R1.164 Cc1nc(ccc1OC[C@@H](C)O)I 7a_100010233687_100009817552 [0,2,0,0,0,0|1,1,0]=4 16432 B13R1.164 Cc1nc(ccc1SCC(C)O)Cl 62a_100000062408_100011218427 [0,2,0,0,0,0|1,1,0]=4 16433 B13R1.164 Cc1nc(ccc1SCC(C)O)Cl 62a_100011218427_100000062408 [0,2,0,0,0,0|1,1,0]=4 16434 B13R1.164 Cc1nc(ccc1SC[C@@H](C)O)Cl 62a_100000062408_100009817552 [0,2,0,0,0,0|1,1,0]=4 16435 B13R1.164 Cc1nc(ccc1SC[C@@H](C)O)Cl 62a_100009817552_100000062408 [0,2,0,0,0,0|1,1,0]=4 16436 B13R1.164 FC(F)CNc1ccc(cc1Br)Cl 34a_100000752454_100011934356 [0,2,0,0,0,0|2,0,0]=4 16437 B13R1.164 FC(F)CNc1ccc(cc1Cl)Cl 34a_100000185861_100011934356 [0,2,0,0,0,0|2,0,0]=4 16438 B13R1.164 FC(F)CNc1ccc(cc1I)Cl 34a_100000761889_100011934356 [0,2,0,0,0,0|2,0,0]=4 16439 B13R1.164 FC(F)COc1ccc(cc1Br)Br 34a_100000188717_100011934356 [0,2,0,0,0,0|1,1,0]=4 16440 B13R1.164 FC(F)COc1ccc(cc1Br)Br 7a_100000188717_100011934356 [0,2,0,0,0,0|1,1,0]=4 16441 B13R1.164 FC(F)COc1ccc(cc1Br)Cl 34a_100000211998_100011934356 [0,2,0,0,0,0|1,0,0]=3 16442 B13R1.164 FC(F)COc1ccc(cc1Br)Cl 7a_100000211998_100011934356 [0,2,0,0,0,0|1,0,0]=3 16443 B13R1.164 FC(F)COc1ccc(cc1Br)I 34a_100012361655_100011934356 [0,2,0,0,0,0|1,1,0]=4 16444 B13R1.164 FC(F)COc1ccc(cc1Br)I 7a_100012361655_100011934356 [0,2,0,0,0,0|1,1,0]=4 16445 B13R1.164 FC(F)COc1ccc(cc1Cl)Br 34a_100000186472_100011934356 [0,2,0,0,0,0|1,1,0]=4 16446 B13R1.164 FC(F)COc1ccc(cc1Cl)Br 7a_100000186472_100011934356 [0,2,0,0,0,0|1,1,0]=4 16447 B13R1.164 FC(F)COc1ccc(cc1Cl)Cl 34a_100015191787_100011934356 [0,2,0,0,0,0|1,0,0]=3 16448 B13R1.164 FC(F)COc1ccc(cc1Cl)Cl 7a_100015191787_100011934356 [0,2,0,0,0,0|1,0,0]=3 16449 B13R1.164 FC(F)COc1ccc(cc1Cl)I 34a_100012360047_100011934356 [0,2,0,0,0,0|1,1,0]=4 16450 B13R1.164 FC(F)COc1ccc(cc1Cl)I 7a_100012360047_100011934356 [0,2,0,0,0,0|1,1,0]=4 16451 B13R1.164 FC(F)COc1ccc(cc1I)Br 34a_100012355227_100011934356 [0,2,0,0,0,0|1,1,0]=4 16452 B13R1.164 FC(F)COc1ccc(cc1I)Br 7a_100012355227_100011934356 [0,2,0,0,0,0|1,1,0]=4 16453 B13R1.164 FC(F)COc1ccc(cc1I)Cl 34a_100011356953_100011934356 [0,2,0,0,0,0|1,0,0]=3 16454 B13R1.164 FC(F)COc1ccc(cc1I)Cl 7a_100011356953_100011934356 [0,2,0,0,0,0|1,0,0]=3 16455 B13R1.164 FC(F)COc1ccc(cc1I)I 7a_100010001573_100011934356 [0,2,0,0,0,0|1,1,0]=4 16456 B13R1.164 FC(F)COc1ccc(nc1Br)Cl 34a_100010219353_100011934356 [0,2,0,0,0,0|2,0,0]=4 16457 B13R1.164 FC(F)COc1ccc(nc1Br)Cl 7a_100010219353_100011934356 [0,2,0,0,0,0|2,0,0]=4 16458 B13R1.164 FC(F)COc1ccc(nc1Cl)Cl 34a_100000101165_100011934356 [0,2,0,0,0,0|2,0,0]=4 16459 B13R1.164 FC(F)COc1ccc(nc1Cl)Cl 7a_100000101165_100011934356 [0,2,0,0,0,0|2,0,0]=4 16460 B13R1.164 FC(F)COc1ccc(nc1I)Cl 34a_100000696390_100011934356 [0,2,0,0,0,0|2,0,0]=4 16461 B13R1.164 FC(F)COc1ccc(nc1I)Cl 7a_100000696390_100011934356 [0,2,0,0,0,0|2,0,0]=4 16462 B13R1.164 FC(F)COc1cnc(cc1Cl)Cl 34a_100009868576_100011934356 [0,2,0,0,0,0|2,0,0]=4 16463 B13R1.164 FC(F)COc1cnc(cc1Cl)Cl 7a_100009868576_100011934356 [0,2,0,0,0,0|2,0,0]=4 16464 B13R1.164 FC(F)COc1cnc(cc1I)Cl 34a_100000698892_100011934356 [0,2,0,0,0,0|2,0,0]=4 16465 B13R1.164 FC(F)COc1cnc(cc1I)Cl 7a_100000698892_100011934356 [0,2,0,0,0,0|2,0,0]=4 16466 B13R1.164 FC(F)CSc1ccc(cc1Br)Cl 62a_100011219703_100011934356 [0,2,0,0,0,0|1,1,0]=4 16467 B13R1.164 FC(F)CSc1ccc(cc1Br)Cl 62a_100011934356_100011219703 [0,2,0,0,0,0|1,1,0]=4 16468 B13R1.164 FC(F)CSc1ccc(cc1Cl)Cl 62a_100000699841_100011934356 [0,2,0,0,0,0|1,1,0]=4 16469 B13R1.164 FC(F)CSc1ccc(cc1Cl)Cl 62a_100011934356_100000699841 [0,2,0,0,0,0|1,1,0]=4 16470 B13R1.164 Fc1cc(ccc1NCC(F)F)Cl 34a_100000211020_100011934356 [0,2,0,0,0,0|2,0,0]=4 16471 B13R1.164 Fc1cc(ccc1OCC(F)F)Br 34a_100000185481_100011934356 [0,2,0,0,0,0|1,1,0]=4 16472 B13R1.164 Fc1cc(ccc1OCC(F)F)Br 7a_100000185481_100011934356 [0,2,0,0,0,0|1,1,0]=4 16473 B13R1.164 Fc1cc(ccc1OCC(F)F)Cl 34a_100000230166_100011934356 [0,2,0,0,0,0|1,0,0]=3 16474 B13R1.164 Fc1cc(ccc1OCC(F)F)Cl 7a_100000230166_100011934356 [0,2,0,0,0,0|1,0,0]=3 16475 B13R1.164 Fc1cc(ccc1OCC(F)F)I 34a_100011356965_100011934356 [0,2,0,0,0,0|1,1,0]=4 16476 B13R1.164 Fc1cc(ccc1OCC(F)F)I 7a_100011356965_100011934356 [0,2,0,0,0,0|1,1,0]=4 16477 B13R1.164 Fc1cc(ccc1SCC(F)F)Cl 62a_100011216042_100011934356 [0,2,0,0,0,0|1,1,0]=4 16478 B13R1.164 Fc1cc(ccc1SCC(F)F)Cl 62a_100011934356_100011216042 [0,2,0,0,0,0|1,1,0]=4 16479 B13R1.164 Fc1cc(cnc1OCC(F)F)Cl 34a_100011998252_100011934356 [0,2,0,0,0,0|2,0,0]=4 16480 B13R1.164 Fc1ccc(c(c1)Br)OCC(F)F 34a_100000211999_100011934356 [0,2,0,0,0,0|1,1,0]=4 16481 B13R1.164 Fc1ccc(c(c1)Br)OCC(F)F 7a_100000211999_100011934356 [0,2,0,0,0,0|1,1,0]=4 16482 B13R1.164 Fc1ccc(c(c1)Cl)OCC(F)F 34a_100000212004_100011934356 [0,2,0,0,0,0|1,1,0]=4 16483 B13R1.164 Fc1ccc(c(c1)Cl)OCC(F)F 7a_100000212004_100011934356 [0,2,0,0,0,0|1,1,0]=4 16484 B13R1.164 Fc1ccc(c(c1)F)OCC(F)F 34a_100000230127_100011934356 [0,2,0,0,0,0|1,1,0]=4 16485 B13R1.164 Fc1ccc(c(c1)F)OCC(F)F 7a_100000230127_100011934356 [0,2,0,0,0,0|1,1,0]=4 16486 B13R1.164 Fc1ccc(c(c1)I)OCC(F)F 34a_100012355409_100011934356 [0,2,0,0,0,0|1,1,0]=4 16487 B13R1.164 Fc1ccc(c(c1)I)OCC(F)F 7a_100012355409_100011934356 [0,2,0,0,0,0|1,1,0]=4 16488 B13R1.164 Fc1nc(ccc1OCC(F)F)Cl 34a_100009880201_100011934356 [0,2,0,0,0,0|2,0,0]=4 16489 B13R1.164 Fc1nc(ccc1OCC(F)F)Cl 7a_100009880201_100011934356 [0,2,0,0,0,0|2,0,0]=4 16490 B13R1.164 NC(=O)COc1ccc(cc1Br)Cl 34a_100000211998_100000187820 [0,2,0,0,0,0|0,0,2]=4 16491 B13R1.164 NC(=O)COc1ccc(cc1Br)Cl 7a_100000211998_100000187820 [0,2,0,0,0,0|0,0,2]=4 16492 B13R1.164 NC(=O)COc1ccc(cc1Cl)Cl 34a_100015191787_100000187820 [0,2,0,0,0,0|0,0,2]=4 16493 B13R1.164 NC(=O)COc1ccc(cc1Cl)Cl 7a_100015191787_100000187820 [0,2,0,0,0,0|0,0,2]=4 16494 B13R1.164 NC(=O)COc1ccc(cc1F)Cl 34a_100000230166_100000187820 [0,2,0,0,0,0|0,0,2]=4 16495 B13R1.164 NC(=O)COc1ccc(cc1F)Cl 7a_100000230166_100000187820 [0,2,0,0,0,0|0,0,2]=4 16496 B13R1.164 NC(=O)COc1ccc(cc1I)Cl 34a_100011356953_100000187820 [0,2,0,0,0,0|0,0,2]=4 16497 B13R1.164 NC(=O)COc1ccc(cc1I)Cl 7a_100011356953_100000187820 [0,2,0,0,0,0|0,0,2]=4 16498 B13R1.164 NC(=O)COc1ccc(cc1N)Cl 34a_100000210500_100000187820 [0,2,0,0,0,0|0,0,2]=4 16499 B13R1.164 NC(=O)COc1ccc(cc1N)Cl 7a_100000210500_100000187820 [0,2,0,0,0,0|0,0,2]=4 16500 B13R1.164 Nc1cc(ccc1OCC(=O)[O-])Cl 34a_100000210500_100020667443 [0,2,0,0,0,0|0,0,2]=4 16501 B13R1.164 Nc1cc(ccc1OCC(F)F)Br 34a_100000752626_100011934356 [0,2,0,0,0,0|1,1,0]=4 16502 B13R1.164 Nc1cc(ccc1OCC(F)F)Br 7a_100000752626_100011934356 [0,2,0,0,0,0|1,1,0]=4 16503 B13R1.164 Nc1cc(ccc1OCC(F)F)Cl 34a_100000210500_100011934356 [0,2,0,0,0,0|1,0,0]=3 16504 B13R1.164 Nc1cc(ccc1OCC(F)F)Cl 7a_100000210500_100011934356 [0,2,0,0,0,0|1,0,0]=3 16505 B13R1.164 Nc1cc(ccc1OCC(F)F)F 34a_100000759472_100011934356 [0,2,0,0,0,0|1,1,0]=4 16506 B13R1.164 Nc1cc(ccc1OCC(F)F)F 7a_100000759472_100011934356 [0,2,0,0,0,0|1,1,0]=4 16507 B13R1.164 Nc1cc(ccc1OCC(F)F)I 34a_100000753495_100011934356 [0,2,0,0,0,0|1,1,0]=4 16508 B13R1.164 Nc1cc(ccc1OCC(F)F)I 7a_100000753495_100011934356 [0,2,0,0,0,0|1,1,0]=4 16509 B13R1.164 Nc1cc(ccc1OC[N+](=O)[O-])Cl 34a_100000210500_100000761209 [0,2,0,0,0,0|1,0,1]=4 16510 B13R1.164 Nc1cc(ccc1SCC(F)F)Cl 62a_100000761886_100011934356 [0,2,0,0,0,0|1,1,0]=4 16511 B13R1.164 Nc1cc(ccc1SCC(F)F)Cl 62a_100011934356_100000761886 [0,2,0,0,0,0|1,1,0]=4 16512 B13R1.164 Nc1cc(cnc1OCC(F)F)Cl 34a_100011998249_100011934356 [0,2,0,0,0,0|2,0,0]=4 16513 B13R1.164 Nc1ccc(c(c1)Br)OCC(F)F 34a_100011534360_100011934356 [0,2,0,0,0,0|2,0,0]=4 16514 B13R1.164 Nc1ccc(c(c1)Br)OCC(F)F 7a_100011534360_100011934356 [0,2,0,0,0,0|2,0,0]=4 16515 B13R1.164 Nc1ccc(c(c1)Cl)OCC(F)F 34a_100000744943_100011934356 [0,2,0,0,0,0|2,0,0]=4 16516 B13R1.164 Nc1ccc(c(c1)Cl)OCC(F)F 7a_100000744943_100011934356 [0,2,0,0,0,0|2,0,0]=4 16517 B13R1.164 Nc1ccc(c(c1)F)OCC(F)F 34a_100011220035_100011934356 [0,2,0,0,0,0|2,0,0]=4 16518 B13R1.164 Nc1ccc(c(c1)F)OCC(F)F 7a_100011220035_100011934356 [0,2,0,0,0,0|2,0,0]=4 16519 B13R1.164 Nc1ccc(c(c1)N)OCC(F)F 34a_100000725306_100011934356 [0,2,0,0,0,0|2,0,0]=4 16520 B13R1.164 Nc1nc(ccc1OCC(F)F)Cl 34a_100000717809_100011934356 [0,2,0,0,0,0|2,0,0]=4 16521 B13R1.164 Nc1nc(ccc1OCC(F)F)Cl 7a_100000717809_100011934356 [0,2,0,0,0,0|2,0,0]=4 16522 B13R1.164 O=C([O-])COc1ccc(cc1Br)Cl 34a_100000211998_100020667443 [0,2,0,0,0,0|0,0,2]=4 16523 B13R1.164 O=C([O-])COc1ccc(cc1Cl)Cl 34a_100015191787_100020667443 [0,2,0,0,0,0|0,0,2]=4 16524 B13R1.164 O=C([O-])COc1ccc(cc1F)Cl 34a_100000230166_100020667443 [0,2,0,0,0,0|0,0,2]=4 16525 B13R1.164 O=C([O-])COc1ccc(cc1I)Cl 34a_100011356953_100020667443 [0,2,0,0,0,0|0,0,2]=4 16526 B13R1.164 O=[N+]([O-])COc1ccc(cc1Br)Cl 34a_100000211998_100000761209 [0,2,0,0,0,0|1,0,1]=4 16527 B13R1.164 O=[N+]([O-])COc1ccc(cc1Cl)Cl 34a_100015191787_100000761209 [0,2,0,0,0,0|1,0,1]=4 16528 B13R1.164 O=[N+]([O-])COc1ccc(cc1F)Cl 34a_100000230166_100000761209 [0,2,0,0,0,0|1,0,1]=4 16529 B13R1.164 O=[N+]([O-])COc1ccc(cc1I)Cl 34a_100011356953_100000761209 [0,2,0,0,0,0|1,0,1]=4 16530 B13R1.164 Oc1cc(ccc1NCC(F)F)Cl 34a_100000185728_100011934356 [0,2,0,0,0,0|2,0,0]=4 16531 B13R1.164 Oc1cc(ccc1SCC(F)F)Cl 62a_100000050036_100011934356 [0,2,0,0,0,0|1,1,0]=4 16532 B13R1.164 Oc1cc(ccc1SCC(F)F)Cl 62a_100011934356_100000050036 [0,2,0,0,0,0|1,1,0]=4 16533 B13R1.164 [13CH3]C(=O)COc1ccc(cc1Br)Cl 1458a_100000184090_200025704644 [0,2,0,0,0,0|0,0,2]=4 16534 B13R1.164 [13CH3]C(=O)COc1ccc(cc1Cl)Cl 1458a_100102647096_200025704644 [0,2,0,0,0,0|0,0,2]=4 16535 B13R1.164 [13CH3]C(=O)COc1ccc(cc1F)Cl 1458a_100012771990_200025704644 [0,2,0,0,0,0|0,0,2]=4 16536 B13R1.164 [13CH3]C(=O)COc1ccc(cc1O)Cl 1458a_100010174420_200025704644 [0,2,0,0,0,0|0,0,2]=4 16537 B13R1.511 C=C(C)COc1ccc(c(c1)Br)Cl 34a_100011933957_100000748629 [0,2,0,0,0,0|1,0,1]=4 16538 B13R1.511 C=C(C)COc1ccc(c(c1)Br)Cl 7a_100011933957_100000748629 [0,2,0,0,0,0|1,0,1]=4 16539 B13R1.511 C=C(C)COc1ccc(c(c1)C)Cl 34a_100000211092_100000748629 [0,2,0,0,0,0|1,0,1]=4 16540 B13R1.511 C=C(C)COc1ccc(c(c1)C)Cl 7a_100000211092_100000748629 [0,2,0,0,0,0|1,0,1]=4 16541 B13R1.511 C=C(C)COc1ccc(c(c1)Cl)Cl 34a_100000211054_100000748629 [0,2,0,0,0,0|1,0,1]=4 16542 B13R1.511 C=C(C)COc1ccc(c(c1)Cl)Cl 7a_100000211054_100000748629 [0,2,0,0,0,0|1,0,1]=4 16543 B13R1.511 C=C(C)COc1ccc(c(c1)F)Cl 34a_100000691581_100000748629 [0,2,0,0,0,0|1,0,1]=4 16544 B13R1.511 C=C(C)COc1ccc(c(c1)F)Cl 7a_100000691581_100000748629 [0,2,0,0,0,0|1,0,1]=4 16545 B13R1.511 C=C(C)COc1ccc(c(c1)I)Cl 34a_100000049588_100000748629 [0,2,0,0,0,0|1,0,1]=4 16546 B13R1.511 C=C(C)COc1ccc(c(c1)I)Cl 7a_100000049588_100000748629 [0,2,0,0,0,0|1,0,1]=4 16547 B13R1.511 C=C(C)COc1ccc(c(c1)N)Cl 34a_100011934297_100000748629 [0,2,0,0,0,0|1,0,1]=4 16548 B13R1.511 C=C(F)COc1ccc(c(c1)Br)Cl 34a_100011933957_100009893438 [0,2,0,0,0,0|1,0,1]=4 16549 B13R1.511 C=C(F)COc1ccc(c(c1)Br)Cl 7a_100011933957_100000042424 [0,2,0,0,0,0|1,0,1]=4 16550 B13R1.511 C=C(F)COc1ccc(c(c1)C)Cl 34a_100000211092_100009893438 [0,2,0,0,0,0|1,0,1]=4 16551 B13R1.511 C=C(F)COc1ccc(c(c1)C)Cl 7a_100000211092_100000042424 [0,2,0,0,0,0|1,0,1]=4 16552 B13R1.511 C=C(F)COc1ccc(c(c1)Cl)Cl 34a_100000211054_100009893438 [0,2,0,0,0,0|1,0,1]=4 16553 B13R1.511 C=C(F)COc1ccc(c(c1)Cl)Cl 7a_100000211054_100000042424 [0,2,0,0,0,0|1,0,1]=4 16554 B13R1.511 C=C(F)COc1ccc(c(c1)F)Cl 34a_100000691581_100009893438 [0,2,0,0,0,0|1,0,1]=4 16555 B13R1.511 C=C(F)COc1ccc(c(c1)F)Cl 7a_100000691581_100000042424 [0,2,0,0,0,0|1,0,1]=4 16556 B13R1.511 C=C(F)COc1ccc(c(c1)I)Cl 34a_100000049588_100009893438 [0,2,0,0,0,0|1,0,1]=4 16557 B13R1.511 C=C(F)COc1ccc(c(c1)I)Cl 7a_100000049588_100000042424 [0,2,0,0,0,0|1,0,1]=4 16558 B13R1.511 C=C(F)COc1ccc(c(c1)N)Cl 34a_100011934297_100009893438 [0,2,0,0,0,0|1,0,1]=4 16559 B13R1.511 CC(=O)COc1ccc(c(c1)C)Cl 1458a_100000182483_200000210301 [0,2,0,0,0,0|0,0,2]=4 16560 B13R1.511 CC(=O)COc1ccc(c(c1)Cl)Cl 1458a_100000191221_200000210301 [0,2,0,0,0,0|0,0,2]=4 16561 B13R1.511 CC(=O)COc1ccc(c(c1)F)Cl 1458a_100012982646_200000210301 [0,2,0,0,0,0|0,0,2]=4 16562 B13R1.511 CC(C)CNc1ccc(c(c1)Br)Cl 2230a_100000686031_100000210760 [0,2,0,0,0,0|2,0,0]=4 16563 B13R1.511 CC(C)CNc1ccc(c(c1)Br)Cl 34a_100000686031_100000210624 [0,2,0,0,0,0|2,0,0]=4 16564 B13R1.511 CC(C)CNc1ccc(c(c1)Cl)Cl 2230a_100000184108_100000210760 [0,2,0,0,0,0|2,0,0]=4 16565 B13R1.511 CC(C)CNc1ccc(c(c1)Cl)Cl 34a_100000184108_100000210624 [0,2,0,0,0,0|2,0,0]=4 16566 B13R1.511 CC(C)CNc1ccc(c(c1)F)Cl 2230a_100000739366_100000210760 [0,2,0,0,0,0|2,0,0]=4 16567 B13R1.511 CC(C)CNc1ccc(c(c1)F)Cl 34a_100000739366_100000210624 [0,2,0,0,0,0|2,0,0]=4 16568 B13R1.511 CC(C)CNc1ccc(c(c1)F)Cl 7a_100000739366_100000210760 [0,2,0,0,0,0|2,0,0]=4 16569 B13R1.511 CC(C)CNc1ccc(c(c1)I)Cl 34a_100012360549_100000210624 [0,2,0,0,0,0|2,0,0]=4 16570 B13R1.511 CC(C)CNc1ccc(c(c1)O)Cl 34a_100011934209_100000210624 [0,2,0,0,0,0|2,0,0]=4 16571 B13R1.511 CC(C)COc1cc(c(cn1)Cl)Cl 34a_200000099200_100000210624 [0,2,0,0,0,0|2,0,0]=4 16572 B13R1.511 CC(C)COc1ccc(c(c1)Br)Cl 34a_100011933957_100000210624 [0,2,0,0,0,0|1,0,0]=3 16573 B13R1.511 CC(C)COc1ccc(c(c1)Br)Cl 7a_100011933957_100000210760 [0,2,0,0,0,0|1,0,0]=3 16574 B13R1.511 CC(C)COc1ccc(c(c1)Br)F 34a_100000693481_100000210624 [0,2,0,0,0,0|1,1,0]=4 16575 B13R1.511 CC(C)COc1ccc(c(c1)Br)F 7a_100000693481_100000210760 [0,2,0,0,0,0|1,1,0]=4 16576 B13R1.511 CC(C)COc1ccc(c(c1)Br)I 34a_100000701344_100000210624 [0,2,0,0,0,0|1,1,0]=4 16577 B13R1.511 CC(C)COc1ccc(c(c1)Br)I 7a_100000701344_100000210760 [0,2,0,0,0,0|1,1,0]=4 16578 B13R1.511 CC(C)COc1ccc(c(c1)Br)N 34a_100012001276_100000210624 [0,2,0,0,0,0|2,0,0]=4 16579 B13R1.511 CC(C)COc1ccc(c(c1)Br)N 7a_100012001276_100000210760 [0,2,0,0,0,0|2,0,0]=4 16580 B13R1.511 CC(C)COc1ccc(c(c1)Br)O 271570a_203496583355_201991077984 [0,2,0,0,0,0|2,0,0]=4 16581 B13R1.511 CC(C)COc1ccc(c(c1)Cl)Br 34a_100011215161_100000210624 [0,2,0,0,0,0|1,1,0]=4 16582 B13R1.511 CC(C)COc1ccc(c(c1)Cl)Br 7a_100011215161_100000210760 [0,2,0,0,0,0|1,1,0]=4 16583 B13R1.511 CC(C)COc1ccc(c(c1)Cl)Cl 34a_100000211054_100000210624 [0,2,0,0,0,0|1,0,0]=3 16584 B13R1.511 CC(C)COc1ccc(c(c1)Cl)Cl 7a_100000211054_100000210760 [0,2,0,0,0,0|1,0,0]=3 16585 B13R1.511 CC(C)COc1ccc(c(c1)Cl)F 34a_100000211030_100000210624 [0,2,0,0,0,0|1,1,0]=4 16586 B13R1.511 CC(C)COc1ccc(c(c1)Cl)F 7a_100000211030_100000210760 [0,2,0,0,0,0|1,1,0]=4 16587 B13R1.511 CC(C)COc1ccc(c(c1)Cl)I 34a_100000047559_100000210624 [0,2,0,0,0,0|1,1,0]=4 16588 B13R1.511 CC(C)COc1ccc(c(c1)Cl)I 7a_100000047559_100000210760 [0,2,0,0,0,0|1,1,0]=4 16589 B13R1.511 CC(C)COc1ccc(c(c1)Cl)N 34a_100011215599_100000210624 [0,2,0,0,0,0|2,0,0]=4 16590 B13R1.511 CC(C)COc1ccc(c(c1)Cl)N 7a_100011215599_100000210760 [0,2,0,0,0,0|2,0,0]=4 16591 B13R1.511 CC(C)COc1ccc(c(c1)F)Br 34a_100000755031_100000210624 [0,2,0,0,0,0|1,1,0]=4 16592 B13R1.511 CC(C)COc1ccc(c(c1)F)Br 7a_100000755031_100000210760 [0,2,0,0,0,0|1,1,0]=4 16593 B13R1.511 CC(C)COc1ccc(c(c1)F)Cl 34a_100000691581_100000210624 [0,2,0,0,0,0|1,0,0]=3 16594 B13R1.511 CC(C)COc1ccc(c(c1)F)Cl 7a_100000691581_100000210760 [0,2,0,0,0,0|1,0,0]=3 16595 B13R1.511 CC(C)COc1ccc(c(c1)F)F 34a_100000181275_100000210624 [0,2,0,0,0,0|1,1,0]=4 16596 B13R1.511 CC(C)COc1ccc(c(c1)F)F 7a_100000181275_100000210760 [0,2,0,0,0,0|1,1,0]=4 16597 B13R1.511 CC(C)COc1ccc(c(c1)F)I 34a_100009990212_100000210624 [0,2,0,0,0,0|1,1,0]=4 16598 B13R1.511 CC(C)COc1ccc(c(c1)F)I 7a_100009990212_100000210760 [0,2,0,0,0,0|1,1,0]=4 16599 B13R1.511 CC(C)COc1ccc(c(c1)F)N 34a_100000759473_100000210624 [0,2,0,0,0,0|2,0,0]=4 16600 B13R1.511 CC(C)COc1ccc(c(c1)F)N 7a_100000759473_100000210760 [0,2,0,0,0,0|2,0,0]=4 16601 B13R1.511 CC(C)COc1ccc(c(c1)I)Br 34a_100012339312_100000210624 [0,2,0,0,0,0|1,1,0]=4 16602 B13R1.511 CC(C)COc1ccc(c(c1)I)Br 7a_100012339312_100000210760 [0,2,0,0,0,0|1,1,0]=4 16603 B13R1.511 CC(C)COc1ccc(c(c1)I)Cl 34a_100000049588_100000210624 [0,2,0,0,0,0|1,0,0]=3 16604 B13R1.511 CC(C)COc1ccc(c(c1)I)Cl 7a_100000049588_100000210760 [0,2,0,0,0,0|1,0,0]=3 16605 B13R1.511 CC(C)COc1ccc(c(c1)I)N 34a_100010084370_100000210624 [0,2,0,0,0,0|2,0,0]=4 16606 B13R1.511 CC(C)COc1ccc(c(c1)I)N 7a_100010084370_100000210760 [0,2,0,0,0,0|2,0,0]=4 16607 B13R1.511 CC(C)COc1ccc(c(c1)N)Br 34a_100011999798_100000210624 [0,2,0,0,0,0|1,1,0]=4 16608 B13R1.511 CC(C)COc1ccc(c(c1)N)Br 7a_100011999798_100000210760 [0,2,0,0,0,0|1,1,0]=4 16609 B13R1.511 CC(C)COc1ccc(c(c1)N)Cl 34a_100011934297_100000210624 [0,2,0,0,0,0|1,0,0]=3 16610 B13R1.511 CC(C)COc1ccc(c(c1)N)F 34a_100012017239_100000210624 [0,2,0,0,0,0|1,1,0]=4 16611 B13R1.511 CC(C)COc1ccc(c(c1)N)F 7a_100012017239_100000210760 [0,2,0,0,0,0|1,1,0]=4 16612 B13R1.511 CC(C)COc1ccc(c(c1)N)N 34a_100025771000_100000210624 [0,2,0,0,0,0|2,0,0]=4 16613 B13R1.511 CC(C)COc1cnc(c(c1)Br)Cl 34a_100012356455_100000210624 [0,2,0,0,0,0|2,0,0]=4 16614 B13R1.511 CC(C)COc1cnc(c(c1)Br)Cl 7a_100012356455_100000210760 [0,2,0,0,0,0|2,0,0]=4 16615 B13R1.511 CC(C)COc1cnc(c(c1)Cl)Cl 34a_100000094354_100000210624 [0,2,0,0,0,0|2,0,0]=4 16616 B13R1.511 CC(C)COc1cnc(c(c1)Cl)Cl 7a_100000094354_100000210760 [0,2,0,0,0,0|2,0,0]=4 16617 B13R1.511 CC(C)COc1cnc(c(c1)F)Cl 34a_100000063512_100000210624 [0,2,0,0,0,0|2,0,0]=4 16618 B13R1.511 CC(C)COc1cnc(c(c1)F)Cl 7a_100000063512_100000210760 [0,2,0,0,0,0|2,0,0]=4 16619 B13R1.511 CC(C)CSc1ccc(c(c1)Br)Cl 62a_100000210624_100012353702 [0,2,0,0,0,0|1,1,0]=4 16620 B13R1.511 CC(C)CSc1ccc(c(c1)Br)Cl 62a_100012353702_100000210760 [0,2,0,0,0,0|1,1,0]=4 16621 B13R1.511 CC(C)CSc1ccc(c(c1)Cl)Cl 62a_100000210624_100011214914 [0,2,0,0,0,0|1,1,0]=4 16622 B13R1.511 CC(C)CSc1ccc(c(c1)Cl)Cl 62a_100011214914_100000210760 [0,2,0,0,0,0|1,1,0]=4 16623 B13R1.511 CC(C)CSc1ccc(c(c1)F)Cl 62a_100000210624_100011216805 [0,2,0,0,0,0|1,1,0]=4 16624 B13R1.511 CC(C)CSc1ccc(c(c1)F)Cl 62a_100011216805_100000210760 [0,2,0,0,0,0|1,1,0]=4 16625 B13R1.511 CC(C)CSc1ccc(c(c1)N)Cl 62a_100000210624_200000761891 [0,2,0,0,0,0|1,1,0]=4 16626 B13R1.511 CC(C)CSc1ccc(c(c1)N)Cl 62a_200000761891_100000210760 [0,2,0,0,0,0|1,1,0]=4 16627 B13R1.511 CC(C)CSc1ccc(c(c1)O)Cl 62a_100000210624_100011356854 [0,2,0,0,0,0|1,1,0]=4 16628 B13R1.511 CC(C)CSc1ccc(c(c1)O)Cl 62a_100011356854_100000210760 [0,2,0,0,0,0|1,1,0]=4 16629 B13R1.511 CC(O)C=Cc1ccc(c(c1)Br)Cl 271570a_200011019289_100012353702 [0,2,0,0,0,0|1,0,1]=4 16630 B13R1.511 CC(O)C=Cc1ccc(c(c1)Cl)Cl 271570a_200011019289_100011214914 [0,2,0,0,0,0|1,0,1]=4 16631 B13R1.511 CC(O)C=Cc1ccc(c(c1)F)Cl 271570a_200011019289_100011216805 [0,2,0,0,0,0|1,0,1]=4 16632 B13R1.511 CC(O)C=Cc1ccc(c(c1)N)Cl 271570a_200011019289_200000761891 [0,2,0,0,0,0|1,0,1]=4 16633 B13R1.511 CC(O)C=Cc1ccc(c(c1)O)Cl 271570a_200011019289_100011356854 [0,2,0,0,0,0|1,0,1]=4 16634 B13R1.511 CC(O)CNc1ccc(c(c1)Br)Br 2230a_100011306057_100011218427 [0,2,0,0,0,0|1,1,0]=4 16635 B13R1.511 CC(O)CNc1ccc(c(c1)Br)Br 34a_100011306057_100011218427 [0,2,0,0,0,0|1,1,0]=4 16636 B13R1.511 CC(O)CNc1ccc(c(c1)Br)Br 7a_100011306057_100011218427 [0,2,0,0,0,0|1,1,0]=4 16637 B13R1.511 CC(O)CNc1ccc(c(c1)Br)Cl 2230a_100000686031_100011218427 [0,2,0,0,0,0|1,0,0]=3 16638 B13R1.511 CC(O)CNc1ccc(c(c1)Br)Cl 34a_100000686031_100011218427 [0,2,0,0,0,0|1,0,0]=3 16639 B13R1.511 CC(O)CNc1ccc(c(c1)Br)F 2230a_100000760356_100011218427 [0,2,0,0,0,0|1,1,0]=4 16640 B13R1.511 CC(O)CNc1ccc(c(c1)Br)F 34a_100000760356_100011218427 [0,2,0,0,0,0|1,1,0]=4 16641 B13R1.511 CC(O)CNc1ccc(c(c1)Br)F 7a_100000760356_100011218427 [0,2,0,0,0,0|1,1,0]=4 16642 B13R1.511 CC(O)CNc1ccc(c(c1)Br)I 34a_100000750458_100011218427 [0,2,0,0,0,0|1,1,0]=4 16643 B13R1.511 CC(O)CNc1ccc(c(c1)Br)O 34a_100011534360_100011218427 [0,2,0,0,0,0|2,0,0]=4 16644 B13R1.511 CC(O)CNc1ccc(c(c1)Cl)Br 2230a_100000687081_100011218427 [0,2,0,0,0,0|1,1,0]=4 16645 B13R1.511 CC(O)CNc1ccc(c(c1)Cl)Br 34a_100000687081_100011218427 [0,2,0,0,0,0|1,1,0]=4 16646 B13R1.511 CC(O)CNc1ccc(c(c1)Cl)Br 7a_100000687081_100011218427 [0,2,0,0,0,0|1,1,0]=4 16647 B13R1.511 CC(O)CNc1ccc(c(c1)Cl)Cl 2230a_100000184108_100011218427 [0,2,0,0,0,0|1,0,0]=3 16648 B13R1.511 CC(O)CNc1ccc(c(c1)Cl)Cl 34a_100000184108_100011218427 [0,2,0,0,0,0|1,0,0]=3 16649 B13R1.511 CC(O)CNc1ccc(c(c1)Cl)F 2230a_100000211060_100011218427 [0,2,0,0,0,0|1,1,0]=4 16650 B13R1.511 CC(O)CNc1ccc(c(c1)Cl)F 34a_100000211060_100011218427 [0,2,0,0,0,0|1,1,0]=4 16651 B13R1.511 CC(O)CNc1ccc(c(c1)Cl)F 7a_100000211060_100011218427 [0,2,0,0,0,0|1,1,0]=4 16652 B13R1.511 CC(O)CNc1ccc(c(c1)Cl)I 34a_100000761885_100011218427 [0,2,0,0,0,0|1,1,0]=4 16653 B13R1.511 CC(O)CNc1ccc(c(c1)Cl)O 34a_100000744943_100011218427 [0,2,0,0,0,0|2,0,0]=4 16654 B13R1.511 CC(O)CNc1ccc(c(c1)F)Br 2230a_100000759894_100011218427 [0,2,0,0,0,0|1,1,0]=4 16655 B13R1.511 CC(O)CNc1ccc(c(c1)F)Br 34a_100000759894_100011218427 [0,2,0,0,0,0|1,1,0]=4 16656 B13R1.511 CC(O)CNc1ccc(c(c1)F)Br 7a_100000759894_100011218427 [0,2,0,0,0,0|1,1,0]=4 16657 B13R1.511 CC(O)CNc1ccc(c(c1)F)Cl 2230a_100000739366_100011218427 [0,2,0,0,0,0|1,0,0]=3 16658 B13R1.511 CC(O)CNc1ccc(c(c1)F)Cl 34a_100000739366_100011218427 [0,2,0,0,0,0|1,0,0]=3 16659 B13R1.511 CC(O)CNc1ccc(c(c1)F)Cl 7a_100000739366_100011218427 [0,2,0,0,0,0|1,0,0]=3 16660 B13R1.511 CC(O)CNc1ccc(c(c1)F)F 2230a_100000210724_100011218427 [0,2,0,0,0,0|1,1,0]=4 16661 B13R1.511 CC(O)CNc1ccc(c(c1)F)F 34a_100000210724_100011218427 [0,2,0,0,0,0|1,1,0]=4 16662 B13R1.511 CC(O)CNc1ccc(c(c1)F)F 7a_100000210724_100011218427 [0,2,0,0,0,0|1,1,0]=4 16663 B13R1.511 CC(O)CNc1ccc(c(c1)F)I 34a_100011356925_100011218427 [0,2,0,0,0,0|1,1,0]=4 16664 B13R1.511 CC(O)CNc1ccc(c(c1)F)I 7a_100011356925_100011218427 [0,2,0,0,0,0|1,1,0]=4 16665 B13R1.511 CC(O)CNc1ccc(c(c1)F)O 34a_100011220035_100011218427 [0,2,0,0,0,0|2,0,0]=4 16666 B13R1.511 CC(O)CNc1ccc(c(c1)F)O 7a_100011220035_100011218427 [0,2,0,0,0,0|2,0,0]=4 16667 B13R1.511 CC(O)CNc1ccc(c(c1)I)Br 34a_100000750459_100011218427 [0,2,0,0,0,0|1,1,0]=4 16668 B13R1.511 CC(O)CNc1ccc(c(c1)I)Cl 34a_100012360549_100011218427 [0,2,0,0,0,0|1,0,0]=3 16669 B13R1.511 CC(O)CNc1ccc(c(c1)I)F 34a_114828291077_100011218427 [0,2,0,0,0,0|1,1,0]=4 16670 B13R1.511 CC(O)CNc1ccc(c(c1)I)F 7a_114828291077_100011218427 [0,2,0,0,0,0|1,1,0]=4 16671 B13R1.511 CC(O)CNc1ccc(c(c1)O)Cl 34a_100011934209_100011218427 [0,2,0,0,0,0|1,0,0]=3 16672 B13R1.511 CC(O)CNc1ccc(c(c1)O)F 34a_100012017398_100011218427 [0,2,0,0,0,0|1,1,0]=4 16673 B13R1.511 CC(O)CNc1ccc(c(c1)O)F 7a_100012017398_100011218427 [0,2,0,0,0,0|1,1,0]=4 16674 B13R1.511 CC(O)CNc1ccc(c(c1)O)O 34a_100102946323_100011218427 [0,2,0,0,0,0|2,0,0]=4 16675 B13R1.511 CC(O)COc1cc(c(cn1)Br)Cl 34a_100010369989_100011218427 [0,2,0,0,0,0|1,1,0]=4 16676 B13R1.511 CC(O)COc1cc(c(cn1)Cl)Cl 34a_200000099200_100011218427 [0,2,0,0,0,0|1,0,0]=3 16677 B13R1.511 CC(O)COc1ccc(c(c1)Br)Cl 34a_100011933957_100011218427 [0,2,0,0,0,0|0,0,0]=2 16678 B13R1.511 CC(O)COc1ccc(c(c1)Br)Cl 7a_100011933957_100011218427 [0,2,0,0,0,0|0,0,0]=2 16679 B13R1.511 CC(O)COc1ccc(c(c1)Br)F 34a_100000693481_100011218427 [0,2,0,0,0,0|0,1,0]=3 16680 B13R1.511 CC(O)COc1ccc(c(c1)Br)F 7a_100000693481_100011218427 [0,2,0,0,0,0|0,1,0]=3 16681 B13R1.511 CC(O)COc1ccc(c(c1)Br)I 34a_100000701344_100011218427 [0,2,0,0,0,0|0,1,0]=3 16682 B13R1.511 CC(O)COc1ccc(c(c1)Br)I 7a_100000701344_100011218427 [0,2,0,0,0,0|0,1,0]=3 16683 B13R1.511 CC(O)COc1ccc(c(c1)Br)N 34a_100012001276_100011218427 [0,2,0,0,0,0|1,0,0]=3 16684 B13R1.511 CC(O)COc1ccc(c(c1)Br)N 7a_100012001276_100011218427 [0,2,0,0,0,0|1,0,0]=3 16685 B13R1.511 CC(O)COc1ccc(c(c1)Cl)Br 34a_100011215161_100011218427 [0,2,0,0,0,0|0,1,0]=3 16686 B13R1.511 CC(O)COc1ccc(c(c1)Cl)Br 7a_100011215161_100011218427 [0,2,0,0,0,0|0,1,0]=3 16687 B13R1.511 CC(O)COc1ccc(c(c1)Cl)Cl 34a_100000211054_100011218427 [0,2,0,0,0,0|0,0,0]=2 16688 B13R1.511 CC(O)COc1ccc(c(c1)Cl)Cl 7a_100000211054_100011218427 [0,2,0,0,0,0|0,0,0]=2 16689 B13R1.511 CC(O)COc1ccc(c(c1)Cl)F 34a_100000211030_100011218427 [0,2,0,0,0,0|0,1,0]=3 16690 B13R1.511 CC(O)COc1ccc(c(c1)Cl)F 7a_100000211030_100011218427 [0,2,0,0,0,0|0,1,0]=3 16691 B13R1.511 CC(O)COc1ccc(c(c1)Cl)I 34a_100000047559_100011218427 [0,2,0,0,0,0|0,1,0]=3 16692 B13R1.511 CC(O)COc1ccc(c(c1)Cl)I 7a_100000047559_100011218427 [0,2,0,0,0,0|0,1,0]=3 16693 B13R1.511 CC(O)COc1ccc(c(c1)Cl)N 34a_100011215599_100011218427 [0,2,0,0,0,0|1,0,0]=3 16694 B13R1.511 CC(O)COc1ccc(c(c1)Cl)N 7a_100011215599_100011218427 [0,2,0,0,0,0|1,0,0]=3 16695 B13R1.511 CC(O)COc1ccc(c(c1)F)Br 34a_100000755031_100011218427 [0,2,0,0,0,0|0,1,0]=3 16696 B13R1.511 CC(O)COc1ccc(c(c1)F)Br 7a_100000755031_100011218427 [0,2,0,0,0,0|0,1,0]=3 16697 B13R1.511 CC(O)COc1ccc(c(c1)F)Cl 34a_100000691581_100011218427 [0,2,0,0,0,0|0,0,0]=2 16698 B13R1.511 CC(O)COc1ccc(c(c1)F)Cl 7a_100000691581_100011218427 [0,2,0,0,0,0|0,0,0]=2 16699 B13R1.511 CC(O)COc1ccc(c(c1)F)F 34a_100000181275_100011218427 [0,2,0,0,0,0|0,1,0]=3 16700 B13R1.511 CC(O)COc1ccc(c(c1)F)F 7a_100000181275_100011218427 [0,2,0,0,0,0|0,1,0]=3 16701 B13R1.511 CC(O)COc1ccc(c(c1)F)I 34a_100009990212_100011218427 [0,2,0,0,0,0|0,1,0]=3 16702 B13R1.511 CC(O)COc1ccc(c(c1)F)I 7a_100009990212_100011218427 [0,2,0,0,0,0|0,1,0]=3 16703 B13R1.511 CC(O)COc1ccc(c(c1)F)N 34a_100000759473_100011218427 [0,2,0,0,0,0|1,0,0]=3 16704 B13R1.511 CC(O)COc1ccc(c(c1)F)N 7a_100000759473_100011218427 [0,2,0,0,0,0|1,0,0]=3 16705 B13R1.511 CC(O)COc1ccc(c(c1)I)Br 34a_100012339312_100011218427 [0,2,0,0,0,0|0,1,0]=3 16706 B13R1.511 CC(O)COc1ccc(c(c1)I)Br 7a_100012339312_100011218427 [0,2,0,0,0,0|0,1,0]=3 16707 B13R1.511 CC(O)COc1ccc(c(c1)I)Cl 34a_100000049588_100011218427 [0,2,0,0,0,0|0,0,0]=2 16708 B13R1.511 CC(O)COc1ccc(c(c1)I)Cl 7a_100000049588_100011218427 [0,2,0,0,0,0|0,0,0]=2 16709 B13R1.511 CC(O)COc1ccc(c(c1)I)N 34a_100010084370_100011218427 [0,2,0,0,0,0|1,0,0]=3 16710 B13R1.511 CC(O)COc1ccc(c(c1)I)N 7a_100010084370_100011218427 [0,2,0,0,0,0|1,0,0]=3 16711 B13R1.511 CC(O)COc1ccc(c(c1)N)Br 34a_100011999798_100011218427 [0,2,0,0,0,0|0,1,0]=3 16712 B13R1.511 CC(O)COc1ccc(c(c1)N)Br 7a_100011999798_100011218427 [0,2,0,0,0,0|0,1,0]=3 16713 B13R1.511 CC(O)COc1ccc(c(c1)N)Cl 34a_100011934297_100011218427 [0,2,0,0,0,0|0,0,0]=2 16714 B13R1.511 CC(O)COc1ccc(c(c1)N)F 34a_100012017239_100011218427 [0,2,0,0,0,0|0,1,0]=3 16715 B13R1.511 CC(O)COc1ccc(c(c1)N)F 7a_100012017239_100011218427 [0,2,0,0,0,0|0,1,0]=3 16716 B13R1.511 CC(O)COc1ccc(c(c1)N)N 34a_100025771000_100011218427 [0,2,0,0,0,0|1,0,0]=3 16717 B13R1.511 CC(O)COc1ccc(c(n1)F)Br 34a_100009879308_100011218427 [0,2,0,0,0,0|1,1,0]=4 16718 B13R1.511 CC(O)COc1cnc(c(c1)Br)Cl 34a_100012356455_100011218427 [0,2,0,0,0,0|1,0,0]=3 16719 B13R1.511 CC(O)COc1cnc(c(c1)Br)Cl 7a_100012356455_100011218427 [0,2,0,0,0,0|1,0,0]=3 16720 B13R1.511 CC(O)COc1cnc(c(c1)Br)F 34a_100009817267_100011218427 [0,2,0,0,0,0|1,1,0]=4 16721 B13R1.511 CC(O)COc1cnc(c(c1)Br)F 7a_100009817267_100011218427 [0,2,0,0,0,0|1,1,0]=4 16722 B13R1.511 CC(O)COc1cnc(c(c1)Cl)Br 34a_100010209684_100011218427 [0,2,0,0,0,0|1,1,0]=4 16723 B13R1.511 CC(O)COc1cnc(c(c1)Cl)Br 7a_100010209684_100011218427 [0,2,0,0,0,0|1,1,0]=4 16724 B13R1.511 CC(O)COc1cnc(c(c1)Cl)Cl 34a_100000094354_100011218427 [0,2,0,0,0,0|1,0,0]=3 16725 B13R1.511 CC(O)COc1cnc(c(c1)Cl)Cl 7a_100000094354_100011218427 [0,2,0,0,0,0|1,0,0]=3 16726 B13R1.511 CC(O)COc1cnc(c(c1)Cl)F 34a_100000087088_100011218427 [0,2,0,0,0,0|1,1,0]=4 16727 B13R1.511 CC(O)COc1cnc(c(c1)Cl)F 7a_100000087088_100011218427 [0,2,0,0,0,0|1,1,0]=4 16728 B13R1.511 CC(O)COc1cnc(c(c1)F)Cl 34a_100000063512_100011218427 [0,2,0,0,0,0|1,0,0]=3 16729 B13R1.511 CC(O)COc1cnc(c(c1)F)Cl 7a_100000063512_100011218427 [0,2,0,0,0,0|1,0,0]=3 16730 B13R1.511 CC(O)CSc1ccc(c(c1)Br)Br 62a_100011218427_100012356285 [0,2,0,0,0,0|0,2,0]=4 16731 B13R1.511 CC(O)CSc1ccc(c(c1)Br)Br 62a_100012356285_100011218427 [0,2,0,0,0,0|0,2,0]=4 16732 B13R1.511 CC(O)CSc1ccc(c(c1)Br)Cl 62a_100011218427_100012353702 [0,2,0,0,0,0|0,1,0]=3 16733 B13R1.511 CC(O)CSc1ccc(c(c1)Br)Cl 62a_100012353702_100011218427 [0,2,0,0,0,0|0,1,0]=3 16734 B13R1.511 CC(O)CSc1ccc(c(c1)Br)F 62a_100011218427_100012047266 [0,2,0,0,0,0|0,2,0]=4 16735 B13R1.511 CC(O)CSc1ccc(c(c1)Br)F 62a_100012047266_100011218427 [0,2,0,0,0,0|0,2,0]=4 16736 B13R1.511 CC(O)CSc1ccc(c(c1)Br)N 62a_100000750455_100011218427 [0,2,0,0,0,0|1,1,0]=4 16737 B13R1.511 CC(O)CSc1ccc(c(c1)Br)N 62a_100011218427_100000750455 [0,2,0,0,0,0|1,1,0]=4 16738 B13R1.511 CC(O)CSc1ccc(c(c1)Br)O 62a_100011218427_100012361655 [0,2,0,0,0,0|1,1,0]=4 16739 B13R1.511 CC(O)CSc1ccc(c(c1)Br)O 62a_100012361655_100011218427 [0,2,0,0,0,0|1,1,0]=4 16740 B13R1.511 CC(O)CSc1ccc(c(c1)Cl)Br 62a_100011218427_100012047281 [0,2,0,0,0,0|0,2,0]=4 16741 B13R1.511 CC(O)CSc1ccc(c(c1)Cl)Br 62a_100012047281_100011218427 [0,2,0,0,0,0|0,2,0]=4 16742 B13R1.511 CC(O)CSc1ccc(c(c1)Cl)Cl 62a_100011214914_100011218427 [0,2,0,0,0,0|0,1,0]=3 16743 B13R1.511 CC(O)CSc1ccc(c(c1)Cl)Cl 62a_100011218427_100011214914 [0,2,0,0,0,0|0,1,0]=3 16744 B13R1.511 CC(O)CSc1ccc(c(c1)Cl)F 62a_100011215976_100011218427 [0,2,0,0,0,0|0,2,0]=4 16745 B13R1.511 CC(O)CSc1ccc(c(c1)Cl)F 62a_100011218427_100011215976 [0,2,0,0,0,0|0,2,0]=4 16746 B13R1.511 CC(O)CSc1ccc(c(c1)Cl)N 62a_100011218065_100011218427 [0,2,0,0,0,0|1,1,0]=4 16747 B13R1.511 CC(O)CSc1ccc(c(c1)Cl)N 62a_100011218427_100011218065 [0,2,0,0,0,0|1,1,0]=4 16748 B13R1.511 CC(O)CSc1ccc(c(c1)Cl)O 62a_100011218427_100012360047 [0,2,0,0,0,0|1,1,0]=4 16749 B13R1.511 CC(O)CSc1ccc(c(c1)Cl)O 62a_100012360047_100011218427 [0,2,0,0,0,0|1,1,0]=4 16750 B13R1.511 CC(O)CSc1ccc(c(c1)F)Br 62a_100000685389_100011218427 [0,2,0,0,0,0|0,2,0]=4 16751 B13R1.511 CC(O)CSc1ccc(c(c1)F)Br 62a_100011218427_100000685389 [0,2,0,0,0,0|0,2,0]=4 16752 B13R1.511 CC(O)CSc1ccc(c(c1)F)Cl 62a_100011216805_100011218427 [0,2,0,0,0,0|0,1,0]=3 16753 B13R1.511 CC(O)CSc1ccc(c(c1)F)Cl 62a_100011218427_100011216805 [0,2,0,0,0,0|0,1,0]=3 16754 B13R1.511 CC(O)CSc1ccc(c(c1)F)F 62a_100000703953_100011218427 [0,2,0,0,0,0|0,2,0]=4 16755 B13R1.511 CC(O)CSc1ccc(c(c1)F)F 62a_100011218427_100000703953 [0,2,0,0,0,0|0,2,0]=4 16756 B13R1.511 CC(O)CSc1ccc(c(c1)F)N 62a_100011215594_100011218427 [0,2,0,0,0,0|1,1,0]=4 16757 B13R1.511 CC(O)CSc1ccc(c(c1)F)N 62a_100011218427_100011215594 [0,2,0,0,0,0|1,1,0]=4 16758 B13R1.511 CC(O)CSc1ccc(c(c1)F)O 62a_100000185481_100011218427 [0,2,0,0,0,0|1,1,0]=4 16759 B13R1.511 CC(O)CSc1ccc(c(c1)F)O 62a_100011218427_100000185481 [0,2,0,0,0,0|1,1,0]=4 16760 B13R1.511 CC(O)CSc1ccc(c(c1)N)Br 62a_100000750456_100011218427 [0,2,0,0,0,0|0,2,0]=4 16761 B13R1.511 CC(O)CSc1ccc(c(c1)N)Br 62a_100011218427_100000750456 [0,2,0,0,0,0|0,2,0]=4 16762 B13R1.511 CC(O)CSc1ccc(c(c1)N)Cl 62a_100011218427_200000761891 [0,2,0,0,0,0|0,1,0]=3 16763 B13R1.511 CC(O)CSc1ccc(c(c1)N)Cl 62a_200000761891_100011218427 [0,2,0,0,0,0|0,1,0]=3 16764 B13R1.511 CC(O)CSc1ccc(c(c1)N)F 62a_100000740924_100011218427 [0,2,0,0,0,0|0,2,0]=4 16765 B13R1.511 CC(O)CSc1ccc(c(c1)N)F 62a_100011218427_100000740924 [0,2,0,0,0,0|0,2,0]=4 16766 B13R1.511 CC(O)CSc1ccc(c(c1)N)N 62a_100000741789_100011218427 [0,2,0,0,0,0|1,1,0]=4 16767 B13R1.511 CC(O)CSc1ccc(c(c1)N)N 62a_100011218427_100011534411 [0,2,0,0,0,0|1,1,0]=4 16768 B13R1.511 CC(O)CSc1ccc(c(c1)N)O 62a_100000752626_100011218427 [0,2,0,0,0,0|1,1,0]=4 16769 B13R1.511 CC(O)CSc1ccc(c(c1)N)O 62a_100011218427_100000752626 [0,2,0,0,0,0|1,1,0]=4 16770 B13R1.511 CC(O)CSc1ccc(c(c1)O)Br 62a_100011218427_100012356990 [0,2,0,0,0,0|0,2,0]=4 16771 B13R1.511 CC(O)CSc1ccc(c(c1)O)Br 62a_100012356990_100011218427 [0,2,0,0,0,0|0,2,0]=4 16772 B13R1.511 CC(O)CSc1ccc(c(c1)O)Cl 62a_100011218427_100011356854 [0,2,0,0,0,0|0,1,0]=3 16773 B13R1.511 CC(O)CSc1ccc(c(c1)O)Cl 62a_100011356854_100011218427 [0,2,0,0,0,0|0,1,0]=3 16774 B13R1.511 CC(O)CSc1ccc(c(c1)O)F 62a_100000686035_100011218427 [0,2,0,0,0,0|0,2,0]=4 16775 B13R1.511 CC(O)CSc1ccc(c(c1)O)F 62a_100011218427_100000686035 [0,2,0,0,0,0|0,2,0]=4 16776 B13R1.511 CC(O)CSc1ccc(c(c1)O)N 62a_100000739049_100011218427 [0,2,0,0,0,0|1,1,0]=4 16777 B13R1.511 CC(O)CSc1ccc(c(c1)O)N 62a_100011218427_100000739049 [0,2,0,0,0,0|1,1,0]=4 16778 B13R1.511 CC(O)CSc1ccc(c(c1)O)O 62a_100011218427_100009813601 [0,2,0,0,0,0|1,1,0]=4 16779 B13R1.511 CC(O)CSc1cnc(c(c1)Br)Cl 62a_100010172733_100011218427 [0,2,0,0,0,0|1,1,0]=4 16780 B13R1.511 CC(O)CSc1cnc(c(c1)Br)Cl 62a_100011218427_100010172733 [0,2,0,0,0,0|1,1,0]=4 16781 B13R1.511 CC(O)CSc1cnc(c(c1)N)Cl 62a_100009828400_100011218427 [0,2,0,0,0,0|1,1,0]=4 16782 B13R1.511 CC(O)CSc1cnc(c(c1)N)Cl 62a_100011218427_100009828400 [0,2,0,0,0,0|1,1,0]=4 16783 B13R1.511 C[C@@H](O)CNc1ccc(c(c1)Br)Br 2230a_100011306057_100009817552 [0,2,0,0,0,0|1,1,0]=4 16784 B13R1.511 C[C@@H](O)CNc1ccc(c(c1)Br)Br 34a_100011306057_100009817552 [0,2,0,0,0,0|1,1,0]=4 16785 B13R1.511 C[C@@H](O)CNc1ccc(c(c1)Br)Br 7a_100011306057_100009817552 [0,2,0,0,0,0|1,1,0]=4 16786 B13R1.511 C[C@@H](O)CNc1ccc(c(c1)Br)Cl 2230a_100000686031_100009817552 [0,2,0,0,0,0|1,0,0]=3 16787 B13R1.511 C[C@@H](O)CNc1ccc(c(c1)Br)Cl 34a_100000686031_100009817552 [0,2,0,0,0,0|1,0,0]=3 16788 B13R1.511 C[C@@H](O)CNc1ccc(c(c1)Br)F 2230a_100000760356_100009817552 [0,2,0,0,0,0|1,1,0]=4 16789 B13R1.511 C[C@@H](O)CNc1ccc(c(c1)Br)F 34a_100000760356_100009817552 [0,2,0,0,0,0|1,1,0]=4 16790 B13R1.511 C[C@@H](O)CNc1ccc(c(c1)Br)F 7a_100000760356_100009817552 [0,2,0,0,0,0|1,1,0]=4 16791 B13R1.511 C[C@@H](O)CNc1ccc(c(c1)Br)I 34a_100000750458_100009817552 [0,2,0,0,0,0|1,1,0]=4 16792 B13R1.511 C[C@@H](O)CNc1ccc(c(c1)Br)O 34a_100011534360_100009817552 [0,2,0,0,0,0|2,0,0]=4 16793 B13R1.511 C[C@@H](O)CNc1ccc(c(c1)Cl)Br 2230a_100000687081_100009817552 [0,2,0,0,0,0|1,1,0]=4 16794 B13R1.511 C[C@@H](O)CNc1ccc(c(c1)Cl)Br 34a_100000687081_100009817552 [0,2,0,0,0,0|1,1,0]=4 16795 B13R1.511 C[C@@H](O)CNc1ccc(c(c1)Cl)Br 7a_100000687081_100009817552 [0,2,0,0,0,0|1,1,0]=4 16796 B13R1.511 C[C@@H](O)CNc1ccc(c(c1)Cl)Cl 2230a_100000184108_100009817552 [0,2,0,0,0,0|1,0,0]=3 16797 B13R1.511 C[C@@H](O)CNc1ccc(c(c1)Cl)Cl 34a_100000184108_100009817552 [0,2,0,0,0,0|1,0,0]=3 16798 B13R1.511 C[C@@H](O)CNc1ccc(c(c1)Cl)F 2230a_100000211060_100009817552 [0,2,0,0,0,0|1,1,0]=4 16799 B13R1.511 C[C@@H](O)CNc1ccc(c(c1)Cl)F 34a_100000211060_100009817552 [0,2,0,0,0,0|1,1,0]=4 16800 B13R1.511 C[C@@H](O)CNc1ccc(c(c1)Cl)F 7a_100000211060_100009817552 [0,2,0,0,0,0|1,1,0]=4 16801 B13R1.511 C[C@@H](O)CNc1ccc(c(c1)Cl)I 34a_100000761885_100009817552 [0,2,0,0,0,0|1,1,0]=4 16802 B13R1.511 C[C@@H](O)CNc1ccc(c(c1)Cl)O 34a_100000744943_100009817552 [0,2,0,0,0,0|2,0,0]=4 16803 B13R1.511 C[C@@H](O)CNc1ccc(c(c1)F)Br 2230a_100000759894_100009817552 [0,2,0,0,0,0|1,1,0]=4 16804 B13R1.511 C[C@@H](O)CNc1ccc(c(c1)F)Br 34a_100000759894_100009817552 [0,2,0,0,0,0|1,1,0]=4 16805 B13R1.511 C[C@@H](O)CNc1ccc(c(c1)F)Br 7a_100000759894_100009817552 [0,2,0,0,0,0|1,1,0]=4 16806 B13R1.511 C[C@@H](O)CNc1ccc(c(c1)F)Cl 2230a_100000739366_100009817552 [0,2,0,0,0,0|1,0,0]=3 16807 B13R1.511 C[C@@H](O)CNc1ccc(c(c1)F)Cl 34a_100000739366_100009817552 [0,2,0,0,0,0|1,0,0]=3 16808 B13R1.511 C[C@@H](O)CNc1ccc(c(c1)F)Cl 7a_100000739366_100009817552 [0,2,0,0,0,0|1,0,0]=3 16809 B13R1.511 C[C@@H](O)CNc1ccc(c(c1)F)F 2230a_100000210724_100009817552 [0,2,0,0,0,0|1,1,0]=4 16810 B13R1.511 C[C@@H](O)CNc1ccc(c(c1)F)F 34a_100000210724_100009817552 [0,2,0,0,0,0|1,1,0]=4 16811 B13R1.511 C[C@@H](O)CNc1ccc(c(c1)F)F 7a_100000210724_100009817552 [0,2,0,0,0,0|1,1,0]=4 16812 B13R1.511 C[C@@H](O)CNc1ccc(c(c1)F)I 34a_100011356925_100009817552 [0,2,0,0,0,0|1,1,0]=4 16813 B13R1.511 C[C@@H](O)CNc1ccc(c(c1)F)I 7a_100011356925_100009817552 [0,2,0,0,0,0|1,1,0]=4 16814 B13R1.511 C[C@@H](O)CNc1ccc(c(c1)F)O 34a_100011220035_100009817552 [0,2,0,0,0,0|2,0,0]=4 16815 B13R1.511 C[C@@H](O)CNc1ccc(c(c1)F)O 7a_100011220035_100009817552 [0,2,0,0,0,0|2,0,0]=4 16816 B13R1.511 C[C@@H](O)CNc1ccc(c(c1)I)Br 34a_100000750459_100009817552 [0,2,0,0,0,0|1,1,0]=4 16817 B13R1.511 C[C@@H](O)CNc1ccc(c(c1)I)Cl 34a_100012360549_100009817552 [0,2,0,0,0,0|1,0,0]=3 16818 B13R1.511 C[C@@H](O)CNc1ccc(c(c1)I)F 34a_114828291077_100009817552 [0,2,0,0,0,0|1,1,0]=4 16819 B13R1.511 C[C@@H](O)CNc1ccc(c(c1)I)F 7a_114828291077_100009817552 [0,2,0,0,0,0|1,1,0]=4 16820 B13R1.511 C[C@@H](O)CNc1ccc(c(c1)O)Cl 34a_100011934209_100009817552 [0,2,0,0,0,0|1,0,0]=3 16821 B13R1.511 C[C@@H](O)CNc1ccc(c(c1)O)F 34a_100012017398_100009817552 [0,2,0,0,0,0|1,1,0]=4 16822 B13R1.511 C[C@@H](O)CNc1ccc(c(c1)O)F 7a_100012017398_100009817552 [0,2,0,0,0,0|1,1,0]=4 16823 B13R1.511 C[C@@H](O)CNc1ccc(c(c1)O)O 34a_100102946323_100009817552 [0,2,0,0,0,0|2,0,0]=4 16824 B13R1.511 C[C@@H](O)COc1cc(c(cn1)Br)Cl 34a_100010369989_100009817552 [0,2,0,0,0,0|1,1,0]=4 16825 B13R1.511 C[C@@H](O)COc1cc(c(cn1)Cl)Cl 34a_200000099200_100009817552 [0,2,0,0,0,0|1,0,0]=3 16826 B13R1.511 C[C@@H](O)COc1ccc(c(c1)Br)Cl 34a_100011933957_100009817552 [0,2,0,0,0,0|0,0,0]=2 16827 B13R1.511 C[C@@H](O)COc1ccc(c(c1)Br)Cl 7a_100011933957_100009817552 [0,2,0,0,0,0|0,0,0]=2 16828 B13R1.511 C[C@@H](O)COc1ccc(c(c1)Br)F 34a_100000693481_100009817552 [0,2,0,0,0,0|0,1,0]=3 16829 B13R1.511 C[C@@H](O)COc1ccc(c(c1)Br)F 7a_100000693481_100009817552 [0,2,0,0,0,0|0,1,0]=3 16830 B13R1.511 C[C@@H](O)COc1ccc(c(c1)Br)I 34a_100000701344_100009817552 [0,2,0,0,0,0|0,1,0]=3 16831 B13R1.511 C[C@@H](O)COc1ccc(c(c1)Br)I 7a_100000701344_100009817552 [0,2,0,0,0,0|0,1,0]=3 16832 B13R1.511 C[C@@H](O)COc1ccc(c(c1)Br)N 34a_100012001276_100009817552 [0,2,0,0,0,0|1,0,0]=3 16833 B13R1.511 C[C@@H](O)COc1ccc(c(c1)Br)N 7a_100012001276_100009817552 [0,2,0,0,0,0|1,0,0]=3 16834 B13R1.511 C[C@@H](O)COc1ccc(c(c1)Cl)Br 34a_100011215161_100009817552 [0,2,0,0,0,0|0,1,0]=3 16835 B13R1.511 C[C@@H](O)COc1ccc(c(c1)Cl)Br 7a_100011215161_100009817552 [0,2,0,0,0,0|0,1,0]=3 16836 B13R1.511 C[C@@H](O)COc1ccc(c(c1)Cl)Cl 34a_100000211054_100009817552 [0,2,0,0,0,0|0,0,0]=2 16837 B13R1.511 C[C@@H](O)COc1ccc(c(c1)Cl)Cl 7a_100000211054_100009817552 [0,2,0,0,0,0|0,0,0]=2 16838 B13R1.511 C[C@@H](O)COc1ccc(c(c1)Cl)F 34a_100000211030_100009817552 [0,2,0,0,0,0|0,1,0]=3 16839 B13R1.511 C[C@@H](O)COc1ccc(c(c1)Cl)F 7a_100000211030_100009817552 [0,2,0,0,0,0|0,1,0]=3 16840 B13R1.511 C[C@@H](O)COc1ccc(c(c1)Cl)I 34a_100000047559_100009817552 [0,2,0,0,0,0|0,1,0]=3 16841 B13R1.511 C[C@@H](O)COc1ccc(c(c1)Cl)I 7a_100000047559_100009817552 [0,2,0,0,0,0|0,1,0]=3 16842 B13R1.511 C[C@@H](O)COc1ccc(c(c1)Cl)N 34a_100011215599_100009817552 [0,2,0,0,0,0|1,0,0]=3 16843 B13R1.511 C[C@@H](O)COc1ccc(c(c1)Cl)N 7a_100011215599_100009817552 [0,2,0,0,0,0|1,0,0]=3 16844 B13R1.511 C[C@@H](O)COc1ccc(c(c1)F)Br 34a_100000755031_100009817552 [0,2,0,0,0,0|0,1,0]=3 16845 B13R1.511 C[C@@H](O)COc1ccc(c(c1)F)Br 7a_100000755031_100009817552 [0,2,0,0,0,0|0,1,0]=3 16846 B13R1.511 C[C@@H](O)COc1ccc(c(c1)F)Cl 34a_100000691581_100009817552 [0,2,0,0,0,0|0,0,0]=2 16847 B13R1.511 C[C@@H](O)COc1ccc(c(c1)F)Cl 7a_100000691581_100009817552 [0,2,0,0,0,0|0,0,0]=2 16848 B13R1.511 C[C@@H](O)COc1ccc(c(c1)F)F 34a_100000181275_100009817552 [0,2,0,0,0,0|0,1,0]=3 16849 B13R1.511 C[C@@H](O)COc1ccc(c(c1)F)F 7a_100000181275_100009817552 [0,2,0,0,0,0|0,1,0]=3 16850 B13R1.511 C[C@@H](O)COc1ccc(c(c1)F)I 34a_100009990212_100009817552 [0,2,0,0,0,0|0,1,0]=3 16851 B13R1.511 C[C@@H](O)COc1ccc(c(c1)F)I 7a_100009990212_100009817552 [0,2,0,0,0,0|0,1,0]=3 16852 B13R1.511 C[C@@H](O)COc1ccc(c(c1)F)N 34a_100000759473_100009817552 [0,2,0,0,0,0|1,0,0]=3 16853 B13R1.511 C[C@@H](O)COc1ccc(c(c1)F)N 7a_100000759473_100009817552 [0,2,0,0,0,0|1,0,0]=3 16854 B13R1.511 C[C@@H](O)COc1ccc(c(c1)I)Br 34a_100012339312_100009817552 [0,2,0,0,0,0|0,1,0]=3 16855 B13R1.511 C[C@@H](O)COc1ccc(c(c1)I)Br 7a_100012339312_100009817552 [0,2,0,0,0,0|0,1,0]=3 16856 B13R1.511 C[C@@H](O)COc1ccc(c(c1)I)Cl 34a_100000049588_100009817552 [0,2,0,0,0,0|0,0,0]=2 16857 B13R1.511 C[C@@H](O)COc1ccc(c(c1)I)Cl 7a_100000049588_100009817552 [0,2,0,0,0,0|0,0,0]=2 16858 B13R1.511 C[C@@H](O)COc1ccc(c(c1)I)N 34a_100010084370_100009817552 [0,2,0,0,0,0|1,0,0]=3 16859 B13R1.511 C[C@@H](O)COc1ccc(c(c1)I)N 7a_100010084370_100009817552 [0,2,0,0,0,0|1,0,0]=3 16860 B13R1.511 C[C@@H](O)COc1ccc(c(c1)N)Br 34a_100011999798_100009817552 [0,2,0,0,0,0|0,1,0]=3 16861 B13R1.511 C[C@@H](O)COc1ccc(c(c1)N)Br 7a_100011999798_100009817552 [0,2,0,0,0,0|0,1,0]=3 16862 B13R1.511 C[C@@H](O)COc1ccc(c(c1)N)Cl 34a_100011934297_100009817552 [0,2,0,0,0,0|0,0,0]=2 16863 B13R1.511 C[C@@H](O)COc1ccc(c(c1)N)F 34a_100012017239_100009817552 [0,2,0,0,0,0|0,1,0]=3 16864 B13R1.511 C[C@@H](O)COc1ccc(c(c1)N)F 7a_100012017239_100009817552 [0,2,0,0,0,0|0,1,0]=3 16865 B13R1.511 C[C@@H](O)COc1ccc(c(c1)N)N 34a_100025771000_100009817552 [0,2,0,0,0,0|1,0,0]=3 16866 B13R1.511 C[C@@H](O)COc1ccc(c(n1)F)Br 34a_100009879308_100009817552 [0,2,0,0,0,0|1,1,0]=4 16867 B13R1.511 C[C@@H](O)COc1cnc(c(c1)Br)Cl 34a_100012356455_100009817552 [0,2,0,0,0,0|1,0,0]=3 16868 B13R1.511 C[C@@H](O)COc1cnc(c(c1)Br)Cl 7a_100012356455_100009817552 [0,2,0,0,0,0|1,0,0]=3 16869 B13R1.511 C[C@@H](O)COc1cnc(c(c1)Br)F 34a_100009817267_100009817552 [0,2,0,0,0,0|1,1,0]=4 16870 B13R1.511 C[C@@H](O)COc1cnc(c(c1)Br)F 7a_100009817267_100009817552 [0,2,0,0,0,0|1,1,0]=4 16871 B13R1.511 C[C@@H](O)COc1cnc(c(c1)Cl)Br 34a_100010209684_100009817552 [0,2,0,0,0,0|1,1,0]=4 16872 B13R1.511 C[C@@H](O)COc1cnc(c(c1)Cl)Br 7a_100010209684_100009817552 [0,2,0,0,0,0|1,1,0]=4 16873 B13R1.511 C[C@@H](O)COc1cnc(c(c1)Cl)Cl 34a_100000094354_100009817552 [0,2,0,0,0,0|1,0,0]=3 16874 B13R1.511 C[C@@H](O)COc1cnc(c(c1)Cl)Cl 7a_100000094354_100009817552 [0,2,0,0,0,0|1,0,0]=3 16875 B13R1.511 C[C@@H](O)COc1cnc(c(c1)Cl)F 34a_100000087088_100009817552 [0,2,0,0,0,0|1,1,0]=4 16876 B13R1.511 C[C@@H](O)COc1cnc(c(c1)Cl)F 7a_100000087088_100009817552 [0,2,0,0,0,0|1,1,0]=4 16877 B13R1.511 C[C@@H](O)COc1cnc(c(c1)F)Cl 34a_100000063512_100009817552 [0,2,0,0,0,0|1,0,0]=3 16878 B13R1.511 C[C@@H](O)COc1cnc(c(c1)F)Cl 7a_100000063512_100009817552 [0,2,0,0,0,0|1,0,0]=3 16879 B13R1.511 C[C@@H](O)CSc1ccc(c(c1)Br)Br 62a_100009817552_100012356285 [0,2,0,0,0,0|0,2,0]=4 16880 B13R1.511 C[C@@H](O)CSc1ccc(c(c1)Br)Br 62a_100012356285_100009817552 [0,2,0,0,0,0|0,2,0]=4 16881 B13R1.511 C[C@@H](O)CSc1ccc(c(c1)Br)Cl 62a_100009817552_100012353702 [0,2,0,0,0,0|0,1,0]=3 16882 B13R1.511 C[C@@H](O)CSc1ccc(c(c1)Br)Cl 62a_100012353702_100009817552 [0,2,0,0,0,0|0,1,0]=3 16883 B13R1.511 C[C@@H](O)CSc1ccc(c(c1)Br)F 62a_100009817552_100012047266 [0,2,0,0,0,0|0,2,0]=4 16884 B13R1.511 C[C@@H](O)CSc1ccc(c(c1)Br)F 62a_100012047266_100009817552 [0,2,0,0,0,0|0,2,0]=4 16885 B13R1.511 C[C@@H](O)CSc1ccc(c(c1)Br)N 62a_100000750455_100009817552 [0,2,0,0,0,0|1,1,0]=4 16886 B13R1.511 C[C@@H](O)CSc1ccc(c(c1)Br)N 62a_100009817552_100000750455 [0,2,0,0,0,0|1,1,0]=4 16887 B13R1.511 C[C@@H](O)CSc1ccc(c(c1)Br)O 62a_100009817552_100012361655 [0,2,0,0,0,0|1,1,0]=4 16888 B13R1.511 C[C@@H](O)CSc1ccc(c(c1)Br)O 62a_100012361655_100009817552 [0,2,0,0,0,0|1,1,0]=4 16889 B13R1.511 C[C@@H](O)CSc1ccc(c(c1)Cl)Br 62a_100009817552_100012047281 [0,2,0,0,0,0|0,2,0]=4 16890 B13R1.511 C[C@@H](O)CSc1ccc(c(c1)Cl)Br 62a_100012047281_100009817552 [0,2,0,0,0,0|0,2,0]=4 16891 B13R1.511 C[C@@H](O)CSc1ccc(c(c1)Cl)Cl 62a_100009817552_100011214914 [0,2,0,0,0,0|0,1,0]=3 16892 B13R1.511 C[C@@H](O)CSc1ccc(c(c1)Cl)Cl 62a_100011214914_100009817552 [0,2,0,0,0,0|0,1,0]=3 16893 B13R1.511 C[C@@H](O)CSc1ccc(c(c1)Cl)F 62a_100009817552_100011215976 [0,2,0,0,0,0|0,2,0]=4 16894 B13R1.511 C[C@@H](O)CSc1ccc(c(c1)Cl)F 62a_100011215976_100009817552 [0,2,0,0,0,0|0,2,0]=4 16895 B13R1.511 C[C@@H](O)CSc1ccc(c(c1)Cl)N 62a_100009817552_100011218065 [0,2,0,0,0,0|1,1,0]=4 16896 B13R1.511 C[C@@H](O)CSc1ccc(c(c1)Cl)N 62a_100011218065_100009817552 [0,2,0,0,0,0|1,1,0]=4 16897 B13R1.511 C[C@@H](O)CSc1ccc(c(c1)Cl)O 62a_100009817552_100012360047 [0,2,0,0,0,0|1,1,0]=4 16898 B13R1.511 C[C@@H](O)CSc1ccc(c(c1)Cl)O 62a_100012360047_100009817552 [0,2,0,0,0,0|1,1,0]=4 16899 B13R1.511 C[C@@H](O)CSc1ccc(c(c1)F)Br 62a_100000685389_100009817552 [0,2,0,0,0,0|0,2,0]=4 16900 B13R1.511 C[C@@H](O)CSc1ccc(c(c1)F)Br 62a_100009817552_100000685389 [0,2,0,0,0,0|0,2,0]=4 16901 B13R1.511 C[C@@H](O)CSc1ccc(c(c1)F)Cl 62a_100009817552_100011216805 [0,2,0,0,0,0|0,1,0]=3 16902 B13R1.511 C[C@@H](O)CSc1ccc(c(c1)F)Cl 62a_100011216805_100009817552 [0,2,0,0,0,0|0,1,0]=3 16903 B13R1.511 C[C@@H](O)CSc1ccc(c(c1)F)F 62a_100000703953_100009817552 [0,2,0,0,0,0|0,2,0]=4 16904 B13R1.511 C[C@@H](O)CSc1ccc(c(c1)F)F 62a_100009817552_100000703953 [0,2,0,0,0,0|0,2,0]=4 16905 B13R1.511 C[C@@H](O)CSc1ccc(c(c1)F)N 62a_100009817552_100011215594 [0,2,0,0,0,0|1,1,0]=4 16906 B13R1.511 C[C@@H](O)CSc1ccc(c(c1)F)N 62a_100011215594_100009817552 [0,2,0,0,0,0|1,1,0]=4 16907 B13R1.511 C[C@@H](O)CSc1ccc(c(c1)F)O 62a_100000185481_100009817552 [0,2,0,0,0,0|1,1,0]=4 16908 B13R1.511 C[C@@H](O)CSc1ccc(c(c1)F)O 62a_100009817552_100000185481 [0,2,0,0,0,0|1,1,0]=4 16909 B13R1.511 C[C@@H](O)CSc1ccc(c(c1)N)Br 62a_100000750456_100009817552 [0,2,0,0,0,0|0,2,0]=4 16910 B13R1.511 C[C@@H](O)CSc1ccc(c(c1)N)Br 62a_100009817552_100000750456 [0,2,0,0,0,0|0,2,0]=4 16911 B13R1.511 C[C@@H](O)CSc1ccc(c(c1)N)Cl 62a_100009817552_200000761891 [0,2,0,0,0,0|0,1,0]=3 16912 B13R1.511 C[C@@H](O)CSc1ccc(c(c1)N)Cl 62a_200000761891_100009817552 [0,2,0,0,0,0|0,1,0]=3 16913 B13R1.511 C[C@@H](O)CSc1ccc(c(c1)N)F 62a_100000740924_100009817552 [0,2,0,0,0,0|0,2,0]=4 16914 B13R1.511 C[C@@H](O)CSc1ccc(c(c1)N)F 62a_100009817552_100000740924 [0,2,0,0,0,0|0,2,0]=4 16915 B13R1.511 C[C@@H](O)CSc1ccc(c(c1)N)N 62a_100000741789_100009817552 [0,2,0,0,0,0|1,1,0]=4 16916 B13R1.511 C[C@@H](O)CSc1ccc(c(c1)N)N 62a_100009817552_100011534411 [0,2,0,0,0,0|1,1,0]=4 16917 B13R1.511 C[C@@H](O)CSc1ccc(c(c1)N)O 62a_100000752626_100009817552 [0,2,0,0,0,0|1,1,0]=4 16918 B13R1.511 C[C@@H](O)CSc1ccc(c(c1)N)O 62a_100009817552_100000752626 [0,2,0,0,0,0|1,1,0]=4 16919 B13R1.511 C[C@@H](O)CSc1ccc(c(c1)O)Br 62a_100009817552_100012356990 [0,2,0,0,0,0|0,2,0]=4 16920 B13R1.511 C[C@@H](O)CSc1ccc(c(c1)O)Br 62a_100012356990_100009817552 [0,2,0,0,0,0|0,2,0]=4 16921 B13R1.511 C[C@@H](O)CSc1ccc(c(c1)O)Cl 62a_100009817552_100011356854 [0,2,0,0,0,0|0,1,0]=3 16922 B13R1.511 C[C@@H](O)CSc1ccc(c(c1)O)Cl 62a_100011356854_100009817552 [0,2,0,0,0,0|0,1,0]=3 16923 B13R1.511 C[C@@H](O)CSc1ccc(c(c1)O)F 62a_100000686035_100009817552 [0,2,0,0,0,0|0,2,0]=4 16924 B13R1.511 C[C@@H](O)CSc1ccc(c(c1)O)F 62a_100009817552_100000686035 [0,2,0,0,0,0|0,2,0]=4 16925 B13R1.511 C[C@@H](O)CSc1ccc(c(c1)O)N 62a_100000739049_100009817552 [0,2,0,0,0,0|1,1,0]=4 16926 B13R1.511 C[C@@H](O)CSc1ccc(c(c1)O)N 62a_100009817552_100000739049 [0,2,0,0,0,0|1,1,0]=4 16927 B13R1.511 C[C@@H](O)CSc1ccc(c(c1)O)O 62a_100009817552_100009813601 [0,2,0,0,0,0|1,1,0]=4 16928 B13R1.511 C[C@@H](O)CSc1cnc(c(c1)Br)Cl 62a_100009817552_100010172733 [0,2,0,0,0,0|1,1,0]=4 16929 B13R1.511 C[C@@H](O)CSc1cnc(c(c1)Br)Cl 62a_100010172733_100009817552 [0,2,0,0,0,0|1,1,0]=4 16930 B13R1.511 C[C@@H](O)CSc1cnc(c(c1)N)Cl 62a_100009817552_100009828400 [0,2,0,0,0,0|1,1,0]=4 16931 B13R1.511 C[C@@H](O)CSc1cnc(c(c1)N)Cl 62a_100009828400_100009817552 [0,2,0,0,0,0|1,1,0]=4 16932 B13R1.511 Cc1cc(ccc1Br)NCC(C)O 2230a_100000210723_100011218427 [0,2,0,0,0,0|1,1,0]=4 16933 B13R1.511 Cc1cc(ccc1Br)NCC(C)O 34a_100000210723_100011218427 [0,2,0,0,0,0|1,1,0]=4 16934 B13R1.511 Cc1cc(ccc1Br)NCC(C)O 7a_100000210723_100011218427 [0,2,0,0,0,0|1,1,0]=4 16935 B13R1.511 Cc1cc(ccc1Br)NC[C@@H](C)O 2230a_100000210723_100009817552 [0,2,0,0,0,0|1,1,0]=4 16936 B13R1.511 Cc1cc(ccc1Br)NC[C@@H](C)O 34a_100000210723_100009817552 [0,2,0,0,0,0|1,1,0]=4 16937 B13R1.511 Cc1cc(ccc1Br)NC[C@@H](C)O 7a_100000210723_100009817552 [0,2,0,0,0,0|1,1,0]=4 16938 B13R1.511 Cc1cc(ccc1Br)OCC(C)C 34a_100000690111_100000210624 [0,2,0,0,0,0|1,1,0]=4 16939 B13R1.511 Cc1cc(ccc1Br)OCC(C)C 7a_100000690111_100000210760 [0,2,0,0,0,0|1,1,0]=4 16940 B13R1.511 Cc1cc(ccc1Br)OCC(C)O 34a_100000690111_100011218427 [0,2,0,0,0,0|0,1,0]=3 16941 B13R1.511 Cc1cc(ccc1Br)OCC(C)O 7a_100000690111_100011218427 [0,2,0,0,0,0|0,1,0]=3 16942 B13R1.511 Cc1cc(ccc1Br)OCC(F)F 34a_100000690111_100011934356 [0,2,0,0,0,0|1,1,0]=4 16943 B13R1.511 Cc1cc(ccc1Br)OCC(F)F 7a_100000690111_100011934356 [0,2,0,0,0,0|1,1,0]=4 16944 B13R1.511 Cc1cc(ccc1Br)OC[C@@H](C)O 34a_100000690111_100009817552 [0,2,0,0,0,0|0,1,0]=3 16945 B13R1.511 Cc1cc(ccc1Br)OC[C@@H](C)O 7a_100000690111_100009817552 [0,2,0,0,0,0|0,1,0]=3 16946 B13R1.511 Cc1cc(ccc1Br)SCC(C)O 62a_100009813585_100011218427 [0,2,0,0,0,0|0,2,0]=4 16947 B13R1.511 Cc1cc(ccc1Br)SCC(C)O 62a_100011218427_100009813585 [0,2,0,0,0,0|0,2,0]=4 16948 B13R1.511 Cc1cc(ccc1Br)SC[C@@H](C)O 62a_100009813585_100009817552 [0,2,0,0,0,0|0,2,0]=4 16949 B13R1.511 Cc1cc(ccc1Br)SC[C@@H](C)O 62a_100009817552_100009813585 [0,2,0,0,0,0|0,2,0]=4 16950 B13R1.511 Cc1cc(ccc1Cl)C=CC(C)O 271570a_200011019289_100000049509 [0,2,0,0,0,0|1,0,1]=4 16951 B13R1.511 Cc1cc(ccc1Cl)NCC(C)C 2230a_100000187808_100000210760 [0,2,0,0,0,0|2,0,0]=4 16952 B13R1.511 Cc1cc(ccc1Cl)NCC(C)C 34a_100000187808_100000210624 [0,2,0,0,0,0|2,0,0]=4 16953 B13R1.511 Cc1cc(ccc1Cl)NCC(C)C 7a_100000187808_100000210760 [0,2,0,0,0,0|2,0,0]=4 16954 B13R1.511 Cc1cc(ccc1Cl)NCC(C)O 2230a_100000187808_100011218427 [0,2,0,0,0,0|1,0,0]=3 16955 B13R1.511 Cc1cc(ccc1Cl)NCC(C)O 34a_100000187808_100011218427 [0,2,0,0,0,0|1,0,0]=3 16956 B13R1.511 Cc1cc(ccc1Cl)NCC(C)O 7a_100000187808_100011218427 [0,2,0,0,0,0|1,0,0]=3 16957 B13R1.511 Cc1cc(ccc1Cl)NCC(F)F 2230a_100000187808_100011934356 [0,2,0,0,0,0|2,0,0]=4 16958 B13R1.511 Cc1cc(ccc1Cl)NCC(F)F 34a_100000187808_100011934356 [0,2,0,0,0,0|2,0,0]=4 16959 B13R1.511 Cc1cc(ccc1Cl)NCC(F)F 7a_100000187808_100011934356 [0,2,0,0,0,0|2,0,0]=4 16960 B13R1.511 Cc1cc(ccc1Cl)NC[C@@H](C)O 2230a_100000187808_100009817552 [0,2,0,0,0,0|1,0,0]=3 16961 B13R1.511 Cc1cc(ccc1Cl)NC[C@@H](C)O 34a_100000187808_100009817552 [0,2,0,0,0,0|1,0,0]=3 16962 B13R1.511 Cc1cc(ccc1Cl)NC[C@@H](C)O 7a_100000187808_100009817552 [0,2,0,0,0,0|1,0,0]=3 16963 B13R1.511 Cc1cc(ccc1Cl)OCC(=O)N 34a_100000211092_100000187820 [0,2,0,0,0,0|0,0,2]=4 16964 B13R1.511 Cc1cc(ccc1Cl)OCC(=O)N 7a_100000211092_100000187820 [0,2,0,0,0,0|0,0,2]=4 16965 B13R1.511 Cc1cc(ccc1Cl)OCC(=O)[13CH3] 1458a_100000182483_200025704644 [0,2,0,0,0,0|0,0,2]=4 16966 B13R1.511 Cc1cc(ccc1Cl)OCC(=O)[O-] 34a_100000211092_100020667443 [0,2,0,0,0,0|0,0,2]=4 16967 B13R1.511 Cc1cc(ccc1Cl)OCC(C)C 34a_100000211092_100000210624 [0,2,0,0,0,0|1,0,0]=3 16968 B13R1.511 Cc1cc(ccc1Cl)OCC(C)C 7a_100000211092_100000210760 [0,2,0,0,0,0|1,0,0]=3 16969 B13R1.511 Cc1cc(ccc1Cl)OCC(C)O 34a_100000211092_100011218427 [0,2,0,0,0,0|0,0,0]=2 16970 B13R1.511 Cc1cc(ccc1Cl)OCC(C)O 7a_100000211092_100011218427 [0,2,0,0,0,0|0,0,0]=2 16971 B13R1.511 Cc1cc(ccc1Cl)OCC(F)F 34a_100000211092_100011934356 [0,2,0,0,0,0|1,0,0]=3 16972 B13R1.511 Cc1cc(ccc1Cl)OCC(F)F 7a_100000211092_100011934356 [0,2,0,0,0,0|1,0,0]=3 16973 B13R1.511 Cc1cc(ccc1Cl)OC[C@@H](C)O 34a_100000211092_100009817552 [0,2,0,0,0,0|0,0,0]=2 16974 B13R1.511 Cc1cc(ccc1Cl)OC[C@@H](C)O 7a_100000211092_100009817552 [0,2,0,0,0,0|0,0,0]=2 16975 B13R1.511 Cc1cc(ccc1Cl)OC[N+](=O)[O-] 34a_100000211092_100000761209 [0,2,0,0,0,0|1,0,1]=4 16976 B13R1.511 Cc1cc(ccc1Cl)SCC(C)C 62a_100000049509_100000210760 [0,2,0,0,0,0|1,1,0]=4 16977 B13R1.511 Cc1cc(ccc1Cl)SCC(C)C 62a_100000210624_100000049509 [0,2,0,0,0,0|1,1,0]=4 16978 B13R1.511 Cc1cc(ccc1Cl)SCC(C)O 62a_100000049509_100011218427 [0,2,0,0,0,0|0,1,0]=3 16979 B13R1.511 Cc1cc(ccc1Cl)SCC(C)O 62a_100011218427_100000049509 [0,2,0,0,0,0|0,1,0]=3 16980 B13R1.511 Cc1cc(ccc1Cl)SCC(F)F 62a_100000049509_100011934356 [0,2,0,0,0,0|1,1,0]=4 16981 B13R1.511 Cc1cc(ccc1Cl)SCC(F)F 62a_100011934356_100000049509 [0,2,0,0,0,0|1,1,0]=4 16982 B13R1.511 Cc1cc(ccc1Cl)SC[C@@H](C)O 62a_100000049509_100009817552 [0,2,0,0,0,0|0,1,0]=3 16983 B13R1.511 Cc1cc(ccc1Cl)SC[C@@H](C)O 62a_100009817552_100000049509 [0,2,0,0,0,0|0,1,0]=3 16984 B13R1.511 Cc1cc(ccc1F)NCC(C)O 2230a_100000750164_100011218427 [0,2,0,0,0,0|1,1,0]=4 16985 B13R1.511 Cc1cc(ccc1F)NCC(C)O 34a_100000750164_100011218427 [0,2,0,0,0,0|1,1,0]=4 16986 B13R1.511 Cc1cc(ccc1F)NCC(C)O 7a_100000750164_100011218427 [0,2,0,0,0,0|1,1,0]=4 16987 B13R1.511 Cc1cc(ccc1F)NC[C@@H](C)O 2230a_100000750164_100009817552 [0,2,0,0,0,0|1,1,0]=4 16988 B13R1.511 Cc1cc(ccc1F)NC[C@@H](C)O 34a_100000750164_100009817552 [0,2,0,0,0,0|1,1,0]=4 16989 B13R1.511 Cc1cc(ccc1F)NC[C@@H](C)O 7a_100000750164_100009817552 [0,2,0,0,0,0|1,1,0]=4 16990 B13R1.511 Cc1cc(ccc1F)OCC(C)C 34a_100000751312_100000210624 [0,2,0,0,0,0|1,1,0]=4 16991 B13R1.511 Cc1cc(ccc1F)OCC(C)C 7a_100000751312_100000210760 [0,2,0,0,0,0|1,1,0]=4 16992 B13R1.511 Cc1cc(ccc1F)OCC(C)O 34a_100000751312_100011218427 [0,2,0,0,0,0|0,1,0]=3 16993 B13R1.511 Cc1cc(ccc1F)OCC(C)O 7a_100000751312_100011218427 [0,2,0,0,0,0|0,1,0]=3 16994 B13R1.511 Cc1cc(ccc1F)OCC(F)F 34a_100000751312_100011934356 [0,2,0,0,0,0|1,1,0]=4 16995 B13R1.511 Cc1cc(ccc1F)OCC(F)F 7a_100000751312_100011934356 [0,2,0,0,0,0|1,1,0]=4 16996 B13R1.511 Cc1cc(ccc1F)OC[C@@H](C)O 34a_100000751312_100009817552 [0,2,0,0,0,0|0,1,0]=3 16997 B13R1.511 Cc1cc(ccc1F)OC[C@@H](C)O 7a_100000751312_100009817552 [0,2,0,0,0,0|0,1,0]=3 16998 B13R1.511 Cc1cc(ccc1F)SCC(C)O 62a_100011218330_100011218427 [0,2,0,0,0,0|0,2,0]=4 16999 B13R1.511 Cc1cc(ccc1F)SCC(C)O 62a_100011218427_100011218330 [0,2,0,0,0,0|0,2,0]=4 17000 B13R1.511 Cc1cc(ccc1F)SC[C@@H](C)O 62a_100009817552_100011218330 [0,2,0,0,0,0|0,2,0]=4 17001 B13R1.511 Cc1cc(ccc1F)SC[C@@H](C)O 62a_100011218330_100009817552 [0,2,0,0,0,0|0,2,0]=4 17002 B13R1.511 Cc1cc(ccc1I)NCC(C)O 34a_100000198070_100011218427 [0,2,0,0,0,0|1,1,0]=4 17003 B13R1.511 Cc1cc(ccc1I)NCC(C)O 7a_100000198070_100011218427 [0,2,0,0,0,0|1,1,0]=4 17004 B13R1.511 Cc1cc(ccc1I)NC[C@@H](C)O 34a_100000198070_100009817552 [0,2,0,0,0,0|1,1,0]=4 17005 B13R1.511 Cc1cc(ccc1I)NC[C@@H](C)O 7a_100000198070_100009817552 [0,2,0,0,0,0|1,1,0]=4 17006 B13R1.511 Cc1cc(ccc1I)OCC(C)C 34a_100000729255_100000210624 [0,2,0,0,0,0|1,1,0]=4 17007 B13R1.511 Cc1cc(ccc1I)OCC(C)C 7a_100000729255_100000210760 [0,2,0,0,0,0|1,1,0]=4 17008 B13R1.511 Cc1cc(ccc1I)OCC(C)O 34a_100000729255_100011218427 [0,2,0,0,0,0|0,1,0]=3 17009 B13R1.511 Cc1cc(ccc1I)OCC(C)O 7a_100000729255_100011218427 [0,2,0,0,0,0|0,1,0]=3 17010 B13R1.511 Cc1cc(ccc1I)OCC(F)F 34a_100000729255_100011934356 [0,2,0,0,0,0|1,1,0]=4 17011 B13R1.511 Cc1cc(ccc1I)OCC(F)F 7a_100000729255_100011934356 [0,2,0,0,0,0|1,1,0]=4 17012 B13R1.511 Cc1cc(ccc1I)OC[C@@H](C)O 34a_100000729255_100009817552 [0,2,0,0,0,0|0,1,0]=3 17013 B13R1.511 Cc1cc(ccc1I)OC[C@@H](C)O 7a_100000729255_100009817552 [0,2,0,0,0,0|0,1,0]=3 17014 B13R1.511 Cc1cc(ccc1N)OCC(C)C 34a_100000756630_100000210624 [0,2,0,0,0,0|2,0,0]=4 17015 B13R1.511 Cc1cc(ccc1N)OCC(C)C 7a_100000756630_100000210760 [0,2,0,0,0,0|2,0,0]=4 17016 B13R1.511 Cc1cc(ccc1N)OCC(C)O 34a_100000756630_100011218427 [0,2,0,0,0,0|1,0,0]=3 17017 B13R1.511 Cc1cc(ccc1N)OCC(C)O 7a_100000756630_100011218427 [0,2,0,0,0,0|1,0,0]=3 17018 B13R1.511 Cc1cc(ccc1N)OCC(F)F 34a_100000756630_100011934356 [0,2,0,0,0,0|2,0,0]=4 17019 B13R1.511 Cc1cc(ccc1N)OCC(F)F 7a_100000756630_100011934356 [0,2,0,0,0,0|2,0,0]=4 17020 B13R1.511 Cc1cc(ccc1N)OC[C@@H](C)O 34a_100000756630_100009817552 [0,2,0,0,0,0|1,0,0]=3 17021 B13R1.511 Cc1cc(ccc1N)OC[C@@H](C)O 7a_100000756630_100009817552 [0,2,0,0,0,0|1,0,0]=3 17022 B13R1.511 Cc1cc(ccc1N)SCC(C)O 62a_100000211769_100011218427 [0,2,0,0,0,0|1,1,0]=4 17023 B13R1.511 Cc1cc(ccc1N)SCC(C)O 62a_100011218427_100000211769 [0,2,0,0,0,0|1,1,0]=4 17024 B13R1.511 Cc1cc(ccc1N)SC[C@@H](C)O 62a_100000211769_100009817552 [0,2,0,0,0,0|1,1,0]=4 17025 B13R1.511 Cc1cc(ccc1N)SC[C@@H](C)O 62a_100009817552_100000211769 [0,2,0,0,0,0|1,1,0]=4 17026 B13R1.511 Cc1cc(ccc1O)NCC(C)O 34a_100011218179_100011218427 [0,2,0,0,0,0|2,0,0]=4 17027 B13R1.511 Cc1cc(ccc1O)NCC(C)O 7a_100011218179_100011218427 [0,2,0,0,0,0|2,0,0]=4 17028 B13R1.511 Cc1cc(ccc1O)NC[C@@H](C)O 34a_100011218179_100009817552 [0,2,0,0,0,0|2,0,0]=4 17029 B13R1.511 Cc1cc(ccc1O)NC[C@@H](C)O 7a_100011218179_100009817552 [0,2,0,0,0,0|2,0,0]=4 17030 B13R1.511 Cc1cc(ccc1O)SCC(C)O 62a_100011218427_100000186361 [0,2,0,0,0,0|1,1,0]=4 17031 B13R1.511 Cc1cc(ccc1O)SC[C@@H](C)O 62a_100009817552_100000186361 [0,2,0,0,0,0|1,1,0]=4 17032 B13R1.511 Cc1cc(cnc1Br)OCC(C)O 34a_100012000486_100011218427 [0,2,0,0,0,0|1,1,0]=4 17033 B13R1.511 Cc1cc(cnc1Br)OCC(C)O 7a_100012000486_100011218427 [0,2,0,0,0,0|1,1,0]=4 17034 B13R1.511 Cc1cc(cnc1Br)OC[C@@H](C)O 34a_100012000486_100009817552 [0,2,0,0,0,0|1,1,0]=4 17035 B13R1.511 Cc1cc(cnc1Br)OC[C@@H](C)O 7a_100012000486_100009817552 [0,2,0,0,0,0|1,1,0]=4 17036 B13R1.511 Cc1cc(cnc1C)OCC(C)O 34a_100009854398_100011218427 [0,2,0,0,0,0|2,0,0]=4 17037 B13R1.511 Cc1cc(cnc1C)OCC(C)O 7a_100009854398_100011218427 [0,2,0,0,0,0|2,0,0]=4 17038 B13R1.511 Cc1cc(cnc1C)OC[C@@H](C)O 34a_100009854398_100009817552 [0,2,0,0,0,0|2,0,0]=4 17039 B13R1.511 Cc1cc(cnc1C)OC[C@@H](C)O 7a_100009854398_100009817552 [0,2,0,0,0,0|2,0,0]=4 17040 B13R1.511 Cc1cc(cnc1Cl)OCC(C)C 34a_100012002680_100000210624 [0,2,0,0,0,0|2,0,0]=4 17041 B13R1.511 Cc1cc(cnc1Cl)OCC(C)C 7a_100012002680_100000210760 [0,2,0,0,0,0|2,0,0]=4 17042 B13R1.511 Cc1cc(cnc1Cl)OCC(C)O 34a_100012002680_100011218427 [0,2,0,0,0,0|1,0,0]=3 17043 B13R1.511 Cc1cc(cnc1Cl)OCC(C)O 7a_100012002680_100011218427 [0,2,0,0,0,0|1,0,0]=3 17044 B13R1.511 Cc1cc(cnc1Cl)OCC(F)F 34a_100012002680_100011934356 [0,2,0,0,0,0|2,0,0]=4 17045 B13R1.511 Cc1cc(cnc1Cl)OCC(F)F 7a_100012002680_100011934356 [0,2,0,0,0,0|2,0,0]=4 17046 B13R1.511 Cc1cc(cnc1Cl)OC[C@@H](C)O 34a_100012002680_100009817552 [0,2,0,0,0,0|1,0,0]=3 17047 B13R1.511 Cc1cc(cnc1Cl)OC[C@@H](C)O 7a_100012002680_100009817552 [0,2,0,0,0,0|1,0,0]=3 17048 B13R1.511 Cc1cc(cnc1Cl)SCC(C)O 62a_100009922867_100011218427 [0,2,0,0,0,0|1,1,0]=4 17049 B13R1.511 Cc1cc(cnc1Cl)SCC(C)O 62a_100011218427_100009922867 [0,2,0,0,0,0|1,1,0]=4 17050 B13R1.511 Cc1cc(cnc1Cl)SC[C@@H](C)O 62a_100009817552_100009922867 [0,2,0,0,0,0|1,1,0]=4 17051 B13R1.511 Cc1cc(cnc1Cl)SC[C@@H](C)O 62a_100009922867_100009817552 [0,2,0,0,0,0|1,1,0]=4 17052 B13R1.511 Cc1cc(cnc1F)OCC(C)O 34a_100000094615_100011218427 [0,2,0,0,0,0|1,1,0]=4 17053 B13R1.511 Cc1cc(cnc1F)OCC(C)O 7a_100000094615_100011218427 [0,2,0,0,0,0|1,1,0]=4 17054 B13R1.511 Cc1cc(cnc1F)OC[C@@H](C)O 34a_100000094615_100009817552 [0,2,0,0,0,0|1,1,0]=4 17055 B13R1.511 Cc1cc(cnc1F)OC[C@@H](C)O 7a_100000094615_100009817552 [0,2,0,0,0,0|1,1,0]=4 17056 B13R1.511 Cc1cc(ncc1Br)OCC(C)O 34a_100000766222_100011218427 [0,2,0,0,0,0|1,1,0]=4 17057 B13R1.511 Cc1cc(ncc1Br)OC[C@@H](C)O 34a_100000766222_100009817552 [0,2,0,0,0,0|1,1,0]=4 17058 B13R1.511 Cc1cc(ncc1Cl)OCC(C)C 34a_200000085746_100000210624 [0,2,0,0,0,0|2,0,0]=4 17059 B13R1.511 Cc1cc(ncc1Cl)OCC(C)O 34a_200000085746_100011218427 [0,2,0,0,0,0|1,0,0]=3 17060 B13R1.511 Cc1cc(ncc1Cl)OCC(F)F 34a_200000085746_100011934356 [0,2,0,0,0,0|2,0,0]=4 17061 B13R1.511 Cc1cc(ncc1Cl)OC[C@@H](C)O 34a_200000085746_100009817552 [0,2,0,0,0,0|1,0,0]=3 17062 B13R1.511 Cc1ccc(cc1Br)NCC(C)O 2230a_100000736455_100011218427 [0,2,0,0,0,0|2,0,0]=4 17063 B13R1.511 Cc1ccc(cc1Br)NCC(C)O 34a_100000736455_100011218427 [0,2,0,0,0,0|2,0,0]=4 17064 B13R1.511 Cc1ccc(cc1Br)NCC(C)O 7a_100000736455_100011218427 [0,2,0,0,0,0|2,0,0]=4 17065 B13R1.511 Cc1ccc(cc1Br)NC[C@@H](C)O 2230a_100000736455_100009817552 [0,2,0,0,0,0|2,0,0]=4 17066 B13R1.511 Cc1ccc(cc1Br)NC[C@@H](C)O 34a_100000736455_100009817552 [0,2,0,0,0,0|2,0,0]=4 17067 B13R1.511 Cc1ccc(cc1Br)NC[C@@H](C)O 7a_100000736455_100009817552 [0,2,0,0,0,0|2,0,0]=4 17068 B13R1.511 Cc1ccc(cc1Br)OCC(C)C 34a_100011380479_100000210624 [0,2,0,0,0,0|2,0,0]=4 17069 B13R1.511 Cc1ccc(cc1Br)OCC(C)C 7a_100011380479_100000210760 [0,2,0,0,0,0|2,0,0]=4 17070 B13R1.511 Cc1ccc(cc1Br)OCC(C)O 34a_100011380479_100011218427 [0,2,0,0,0,0|1,0,0]=3 17071 B13R1.511 Cc1ccc(cc1Br)OCC(C)O 7a_100011380479_100011218427 [0,2,0,0,0,0|1,0,0]=3 17072 B13R1.511 Cc1ccc(cc1Br)OCC(F)F 34a_100011380479_100011934356 [0,2,0,0,0,0|2,0,0]=4 17073 B13R1.511 Cc1ccc(cc1Br)OCC(F)F 7a_100011380479_100011934356 [0,2,0,0,0,0|2,0,0]=4 17074 B13R1.511 Cc1ccc(cc1Br)OC[C@@H](C)O 34a_100011380479_100009817552 [0,2,0,0,0,0|1,0,0]=3 17075 B13R1.511 Cc1ccc(cc1Br)OC[C@@H](C)O 7a_100011380479_100009817552 [0,2,0,0,0,0|1,0,0]=3 17076 B13R1.511 Cc1ccc(cc1Br)SCC(C)O 62a_100011218427_100011847877 [0,2,0,0,0,0|1,1,0]=4 17077 B13R1.511 Cc1ccc(cc1Br)SCC(C)O 62a_100011847877_100011218427 [0,2,0,0,0,0|1,1,0]=4 17078 B13R1.511 Cc1ccc(cc1Br)SC[C@@H](C)O 62a_100009817552_100011847877 [0,2,0,0,0,0|1,1,0]=4 17079 B13R1.511 Cc1ccc(cc1Br)SC[C@@H](C)O 62a_100011847877_100009817552 [0,2,0,0,0,0|1,1,0]=4 17080 B13R1.511 Cc1ccc(cc1C)NCC(C)O 2230a_100000724040_100011218427 [0,2,0,0,0,0|2,0,0]=4 17081 B13R1.511 Cc1ccc(cc1C)NCC(C)O 34a_100000724040_100011218427 [0,2,0,0,0,0|2,0,0]=4 17082 B13R1.511 Cc1ccc(cc1C)NCC(C)O 7a_100000724040_100011218427 [0,2,0,0,0,0|2,0,0]=4 17083 B13R1.511 Cc1ccc(cc1C)NC[C@@H](C)O 2230a_100000724040_100009817552 [0,2,0,0,0,0|2,0,0]=4 17084 B13R1.511 Cc1ccc(cc1C)NC[C@@H](C)O 34a_100000724040_100009817552 [0,2,0,0,0,0|2,0,0]=4 17085 B13R1.511 Cc1ccc(cc1C)NC[C@@H](C)O 7a_100000724040_100009817552 [0,2,0,0,0,0|2,0,0]=4 17086 B13R1.511 Cc1ccc(cc1C)OCC(C)C 34a_100000210932_100000210624 [0,2,0,0,0,0|2,0,0]=4 17087 B13R1.511 Cc1ccc(cc1C)OCC(C)C 7a_100000210932_100000210760 [0,2,0,0,0,0|2,0,0]=4 17088 B13R1.511 Cc1ccc(cc1C)OCC(C)O 34a_100000210932_100011218427 [0,2,0,0,0,0|1,0,0]=3 17089 B13R1.511 Cc1ccc(cc1C)OCC(C)O 7a_100000210932_100011218427 [0,2,0,0,0,0|1,0,0]=3 17090 B13R1.511 Cc1ccc(cc1C)OCC(F)F 34a_100000210932_100011934356 [0,2,0,0,0,0|2,0,0]=4 17091 B13R1.511 Cc1ccc(cc1C)OCC(F)F 7a_100000210932_100011934356 [0,2,0,0,0,0|2,0,0]=4 17092 B13R1.511 Cc1ccc(cc1C)OC[C@@H](C)O 34a_100000210932_100009817552 [0,2,0,0,0,0|1,0,0]=3 17093 B13R1.511 Cc1ccc(cc1C)OC[C@@H](C)O 7a_100000210932_100009817552 [0,2,0,0,0,0|1,0,0]=3 17094 B13R1.511 Cc1ccc(cc1C)SCC(C)O 62a_100011215607_100011218427 [0,2,0,0,0,0|1,1,0]=4 17095 B13R1.511 Cc1ccc(cc1C)SCC(C)O 62a_100011218427_100011215607 [0,2,0,0,0,0|1,1,0]=4 17096 B13R1.511 Cc1ccc(cc1C)SC[C@@H](C)O 62a_100009817552_100011215607 [0,2,0,0,0,0|1,1,0]=4 17097 B13R1.511 Cc1ccc(cc1C)SC[C@@H](C)O 62a_100011215607_100009817552 [0,2,0,0,0,0|1,1,0]=4 17098 B13R1.511 Cc1ccc(cc1Cl)NCC(C)O 2230a_100000188892_100011218427 [0,2,0,0,0,0|2,0,0]=4 17099 B13R1.511 Cc1ccc(cc1Cl)NCC(C)O 34a_100000188892_100011218427 [0,2,0,0,0,0|2,0,0]=4 17100 B13R1.511 Cc1ccc(cc1Cl)NCC(C)O 7a_100000188892_100011218427 [0,2,0,0,0,0|2,0,0]=4 17101 B13R1.511 Cc1ccc(cc1Cl)NC[C@@H](C)O 2230a_100000188892_100009817552 [0,2,0,0,0,0|2,0,0]=4 17102 B13R1.511 Cc1ccc(cc1Cl)NC[C@@H](C)O 34a_100000188892_100009817552 [0,2,0,0,0,0|2,0,0]=4 17103 B13R1.511 Cc1ccc(cc1Cl)NC[C@@H](C)O 7a_100000188892_100009817552 [0,2,0,0,0,0|2,0,0]=4 17104 B13R1.511 Cc1ccc(cc1Cl)OCC(C)C 34a_100011265682_100000210624 [0,2,0,0,0,0|2,0,0]=4 17105 B13R1.511 Cc1ccc(cc1Cl)OCC(C)C 7a_100011265682_100000210760 [0,2,0,0,0,0|2,0,0]=4 17106 B13R1.511 Cc1ccc(cc1Cl)OCC(C)O 34a_100011265682_100011218427 [0,2,0,0,0,0|1,0,0]=3 17107 B13R1.511 Cc1ccc(cc1Cl)OCC(C)O 7a_100011265682_100011218427 [0,2,0,0,0,0|1,0,0]=3 17108 B13R1.511 Cc1ccc(cc1Cl)OCC(F)F 34a_100011265682_100011934356 [0,2,0,0,0,0|2,0,0]=4 17109 B13R1.511 Cc1ccc(cc1Cl)OCC(F)F 7a_100011265682_100011934356 [0,2,0,0,0,0|2,0,0]=4 17110 B13R1.511 Cc1ccc(cc1Cl)OC[C@@H](C)O 34a_100011265682_100009817552 [0,2,0,0,0,0|1,0,0]=3 17111 B13R1.511 Cc1ccc(cc1Cl)OC[C@@H](C)O 7a_100011265682_100009817552 [0,2,0,0,0,0|1,0,0]=3 17112 B13R1.511 Cc1ccc(cc1Cl)SCC(C)O 62a_100011216363_100011218427 [0,2,0,0,0,0|1,1,0]=4 17113 B13R1.511 Cc1ccc(cc1Cl)SCC(C)O 62a_100011218427_100011216363 [0,2,0,0,0,0|1,1,0]=4 17114 B13R1.511 Cc1ccc(cc1Cl)SC[C@@H](C)O 62a_100009817552_100011216363 [0,2,0,0,0,0|1,1,0]=4 17115 B13R1.511 Cc1ccc(cc1Cl)SC[C@@H](C)O 62a_100011216363_100009817552 [0,2,0,0,0,0|1,1,0]=4 17116 B13R1.511 Cc1ccc(cc1F)NCC(C)O 2230a_100000210958_100011218427 [0,2,0,0,0,0|2,0,0]=4 17117 B13R1.511 Cc1ccc(cc1F)NCC(C)O 34a_100000210958_100011218427 [0,2,0,0,0,0|2,0,0]=4 17118 B13R1.511 Cc1ccc(cc1F)NCC(C)O 7a_100000210958_100011218427 [0,2,0,0,0,0|2,0,0]=4 17119 B13R1.511 Cc1ccc(cc1F)NC[C@@H](C)O 2230a_100000210958_100009817552 [0,2,0,0,0,0|2,0,0]=4 17120 B13R1.511 Cc1ccc(cc1F)NC[C@@H](C)O 34a_100000210958_100009817552 [0,2,0,0,0,0|2,0,0]=4 17121 B13R1.511 Cc1ccc(cc1F)NC[C@@H](C)O 7a_100000210958_100009817552 [0,2,0,0,0,0|2,0,0]=4 17122 B13R1.511 Cc1ccc(cc1F)OCC(C)C 34a_100000722560_100000210624 [0,2,0,0,0,0|2,0,0]=4 17123 B13R1.511 Cc1ccc(cc1F)OCC(C)C 7a_100000722560_100000210760 [0,2,0,0,0,0|2,0,0]=4 17124 B13R1.511 Cc1ccc(cc1F)OCC(C)O 34a_100000722560_100011218427 [0,2,0,0,0,0|1,0,0]=3 17125 B13R1.511 Cc1ccc(cc1F)OCC(C)O 7a_100000722560_100011218427 [0,2,0,0,0,0|1,0,0]=3 17126 B13R1.511 Cc1ccc(cc1F)OCC(F)F 34a_100000722560_100011934356 [0,2,0,0,0,0|2,0,0]=4 17127 B13R1.511 Cc1ccc(cc1F)OCC(F)F 7a_100000722560_100011934356 [0,2,0,0,0,0|2,0,0]=4 17128 B13R1.511 Cc1ccc(cc1F)OC[C@@H](C)O 34a_100000722560_100009817552 [0,2,0,0,0,0|1,0,0]=3 17129 B13R1.511 Cc1ccc(cc1F)OC[C@@H](C)O 7a_100000722560_100009817552 [0,2,0,0,0,0|1,0,0]=3 17130 B13R1.511 Cc1ccc(cc1F)SCC(C)O 62a_100000720648_100011218427 [0,2,0,0,0,0|1,1,0]=4 17131 B13R1.511 Cc1ccc(cc1F)SCC(C)O 62a_100011218427_100000720648 [0,2,0,0,0,0|1,1,0]=4 17132 B13R1.511 Cc1ccc(cc1F)SC[C@@H](C)O 62a_100000720648_100009817552 [0,2,0,0,0,0|1,1,0]=4 17133 B13R1.511 Cc1ccc(cc1F)SC[C@@H](C)O 62a_100009817552_100000720648 [0,2,0,0,0,0|1,1,0]=4 17134 B13R1.511 Cc1ccc(cc1I)NCC(C)O 34a_100000184131_100011218427 [0,2,0,0,0,0|2,0,0]=4 17135 B13R1.511 Cc1ccc(cc1I)NCC(C)O 7a_100000184131_100011218427 [0,2,0,0,0,0|2,0,0]=4 17136 B13R1.511 Cc1ccc(cc1I)NC[C@@H](C)O 34a_100000184131_100009817552 [0,2,0,0,0,0|2,0,0]=4 17137 B13R1.511 Cc1ccc(cc1I)NC[C@@H](C)O 7a_100000184131_100009817552 [0,2,0,0,0,0|2,0,0]=4 17138 B13R1.511 Cc1ccc(cc1N)OCC(C)C 34a_100011216113_100000210624 [0,2,0,0,0,0|2,0,0]=4 17139 B13R1.511 Cc1ccc(cc1N)OCC(C)C 7a_100011216113_100000210760 [0,2,0,0,0,0|2,0,0]=4 17140 B13R1.511 Cc1ccc(cc1N)OCC(C)O 34a_100011216113_100011218427 [0,2,0,0,0,0|1,0,0]=3 17141 B13R1.511 Cc1ccc(cc1N)OCC(C)O 7a_100011216113_100011218427 [0,2,0,0,0,0|1,0,0]=3 17142 B13R1.511 Cc1ccc(cc1N)OCC(F)F 34a_100011216113_100011934356 [0,2,0,0,0,0|2,0,0]=4 17143 B13R1.511 Cc1ccc(cc1N)OCC(F)F 7a_100011216113_100011934356 [0,2,0,0,0,0|2,0,0]=4 17144 B13R1.511 Cc1ccc(cc1N)OC[C@@H](C)O 34a_100011216113_100009817552 [0,2,0,0,0,0|1,0,0]=3 17145 B13R1.511 Cc1ccc(cc1N)OC[C@@H](C)O 7a_100011216113_100009817552 [0,2,0,0,0,0|1,0,0]=3 17146 B13R1.511 Cc1ccc(cc1N)SCC(C)O 62a_100000761890_100011218427 [0,2,0,0,0,0|1,1,0]=4 17147 B13R1.511 Cc1ccc(cc1N)SCC(C)O 62a_100011218427_100000761890 [0,2,0,0,0,0|1,1,0]=4 17148 B13R1.511 Cc1ccc(cc1N)SC[C@@H](C)O 62a_100000761890_100009817552 [0,2,0,0,0,0|1,1,0]=4 17149 B13R1.511 Cc1ccc(cc1N)SC[C@@H](C)O 62a_100009817552_100000761890 [0,2,0,0,0,0|1,1,0]=4 17150 B13R1.511 Cc1ccc(cc1O)NCC(C)O 34a_100000759471_100011218427 [0,2,0,0,0,0|2,0,0]=4 17151 B13R1.511 Cc1ccc(cc1O)NCC(C)O 7a_100000759471_100011218427 [0,2,0,0,0,0|2,0,0]=4 17152 B13R1.511 Cc1ccc(cc1O)NC[C@@H](C)O 34a_100000759471_100009817552 [0,2,0,0,0,0|2,0,0]=4 17153 B13R1.511 Cc1ccc(cc1O)NC[C@@H](C)O 7a_100000759471_100009817552 [0,2,0,0,0,0|2,0,0]=4 17154 B13R1.511 Cc1ccc(cc1O)SCC(C)O 62a_100000685420_100011218427 [0,2,0,0,0,0|1,1,0]=4 17155 B13R1.511 Cc1ccc(cc1O)SCC(C)O 62a_100011218427_100000685420 [0,2,0,0,0,0|1,1,0]=4 17156 B13R1.511 Cc1ccc(cc1O)SC[C@@H](C)O 62a_100000685420_100009817552 [0,2,0,0,0,0|1,1,0]=4 17157 B13R1.511 Cc1ccc(cc1O)SC[C@@H](C)O 62a_100009817552_100000685420 [0,2,0,0,0,0|1,1,0]=4 17158 B13R1.511 Cc1cnc(cc1Br)OCC(C)O 34a_100009831917_100011218427 [0,2,0,0,0,0|2,0,0]=4 17159 B13R1.511 Cc1cnc(cc1Br)OC[C@@H](C)O 34a_100009831917_100009817552 [0,2,0,0,0,0|2,0,0]=4 17160 B13R1.511 Cc1nc(ccc1Br)OCC(C)O 34a_100000691680_100011218427 [0,2,0,0,0,0|1,1,0]=4 17161 B13R1.511 Cc1nc(ccc1Br)OC[C@@H](C)O 34a_100000691680_100009817552 [0,2,0,0,0,0|1,1,0]=4 17162 B13R1.511 Cc1nc(ccc1Cl)OCC(C)C 34a_200009863735_100000210624 [0,2,0,0,0,0|2,0,0]=4 17163 B13R1.511 Cc1nc(ccc1Cl)OCC(C)O 34a_200009863735_100011218427 [0,2,0,0,0,0|1,0,0]=3 17164 B13R1.511 Cc1nc(ccc1Cl)OCC(F)F 34a_200009863735_100011934356 [0,2,0,0,0,0|2,0,0]=4 17165 B13R1.511 Cc1nc(ccc1Cl)OC[C@@H](C)O 34a_200009863735_100009817552 [0,2,0,0,0,0|1,0,0]=3 17166 B13R1.511 Cc1ncc(cc1Br)OCC(C)O 34a_100009819603_100011218427 [0,2,0,0,0,0|2,0,0]=4 17167 B13R1.511 Cc1ncc(cc1Br)OCC(C)O 7a_100009819603_100011218427 [0,2,0,0,0,0|2,0,0]=4 17168 B13R1.511 Cc1ncc(cc1Br)OC[C@@H](C)O 34a_100009819603_100009817552 [0,2,0,0,0,0|2,0,0]=4 17169 B13R1.511 Cc1ncc(cc1Br)OC[C@@H](C)O 7a_100009819603_100009817552 [0,2,0,0,0,0|2,0,0]=4 17170 B13R1.511 FC(F)CNc1ccc(c(c1)Br)Cl 2230a_100000686031_100011934356 [0,2,0,0,0,0|2,0,0]=4 17171 B13R1.511 FC(F)CNc1ccc(c(c1)Br)Cl 34a_100000686031_100011934356 [0,2,0,0,0,0|2,0,0]=4 17172 B13R1.511 FC(F)CNc1ccc(c(c1)Cl)Cl 2230a_100000184108_100011934356 [0,2,0,0,0,0|2,0,0]=4 17173 B13R1.511 FC(F)CNc1ccc(c(c1)Cl)Cl 34a_100000184108_100011934356 [0,2,0,0,0,0|2,0,0]=4 17174 B13R1.511 FC(F)CNc1ccc(c(c1)I)Cl 34a_100012360549_100011934356 [0,2,0,0,0,0|2,0,0]=4 17175 B13R1.511 FC(F)COc1cc(c(cn1)Cl)Cl 34a_200000099200_100011934356 [0,2,0,0,0,0|2,0,0]=4 17176 B13R1.511 FC(F)COc1ccc(c(c1)Br)Cl 34a_100011933957_100011934356 [0,2,0,0,0,0|1,0,0]=3 17177 B13R1.511 FC(F)COc1ccc(c(c1)Br)Cl 7a_100011933957_100011934356 [0,2,0,0,0,0|1,0,0]=3 17178 B13R1.511 FC(F)COc1ccc(c(c1)Br)I 34a_100000701344_100011934356 [0,2,0,0,0,0|1,1,0]=4 17179 B13R1.511 FC(F)COc1ccc(c(c1)Br)I 7a_100000701344_100011934356 [0,2,0,0,0,0|1,1,0]=4 17180 B13R1.511 FC(F)COc1ccc(c(c1)Cl)Br 34a_100011215161_100011934356 [0,2,0,0,0,0|1,1,0]=4 17181 B13R1.511 FC(F)COc1ccc(c(c1)Cl)Br 7a_100011215161_100011934356 [0,2,0,0,0,0|1,1,0]=4 17182 B13R1.511 FC(F)COc1ccc(c(c1)Cl)Cl 34a_100000211054_100011934356 [0,2,0,0,0,0|1,0,0]=3 17183 B13R1.511 FC(F)COc1ccc(c(c1)Cl)Cl 7a_100000211054_100011934356 [0,2,0,0,0,0|1,0,0]=3 17184 B13R1.511 FC(F)COc1ccc(c(c1)Cl)I 34a_100000047559_100011934356 [0,2,0,0,0,0|1,1,0]=4 17185 B13R1.511 FC(F)COc1ccc(c(c1)Cl)I 7a_100000047559_100011934356 [0,2,0,0,0,0|1,1,0]=4 17186 B13R1.511 FC(F)COc1ccc(c(c1)I)Br 34a_100012339312_100011934356 [0,2,0,0,0,0|1,1,0]=4 17187 B13R1.511 FC(F)COc1ccc(c(c1)I)Br 7a_100012339312_100011934356 [0,2,0,0,0,0|1,1,0]=4 17188 B13R1.511 FC(F)COc1ccc(c(c1)I)Cl 34a_100000049588_100011934356 [0,2,0,0,0,0|1,0,0]=3 17189 B13R1.511 FC(F)COc1ccc(c(c1)I)Cl 7a_100000049588_100011934356 [0,2,0,0,0,0|1,0,0]=3 17190 B13R1.511 FC(F)COc1cnc(c(c1)Br)Cl 34a_100012356455_100011934356 [0,2,0,0,0,0|2,0,0]=4 17191 B13R1.511 FC(F)COc1cnc(c(c1)Br)Cl 7a_100012356455_100011934356 [0,2,0,0,0,0|2,0,0]=4 17192 B13R1.511 FC(F)COc1cnc(c(c1)Cl)Cl 34a_100000094354_100011934356 [0,2,0,0,0,0|2,0,0]=4 17193 B13R1.511 FC(F)COc1cnc(c(c1)Cl)Cl 7a_100000094354_100011934356 [0,2,0,0,0,0|2,0,0]=4 17194 B13R1.511 FC(F)CSc1ccc(c(c1)Br)Cl 62a_100011934356_100012353702 [0,2,0,0,0,0|1,1,0]=4 17195 B13R1.511 FC(F)CSc1ccc(c(c1)Br)Cl 62a_100012353702_100011934356 [0,2,0,0,0,0|1,1,0]=4 17196 B13R1.511 FC(F)CSc1ccc(c(c1)Cl)Cl 62a_100011214914_100011934356 [0,2,0,0,0,0|1,1,0]=4 17197 B13R1.511 FC(F)CSc1ccc(c(c1)Cl)Cl 62a_100011934356_100011214914 [0,2,0,0,0,0|1,1,0]=4 17198 B13R1.511 Fc1cc(ccc1Br)OCC(F)F 34a_100000755031_100011934356 [0,2,0,0,0,0|1,1,0]=4 17199 B13R1.511 Fc1cc(ccc1Br)OCC(F)F 7a_100000755031_100011934356 [0,2,0,0,0,0|1,1,0]=4 17200 B13R1.511 Fc1cc(ccc1Cl)NCC(F)F 2230a_100000739366_100011934356 [0,2,0,0,0,0|2,0,0]=4 17201 B13R1.511 Fc1cc(ccc1Cl)NCC(F)F 34a_100000739366_100011934356 [0,2,0,0,0,0|2,0,0]=4 17202 B13R1.511 Fc1cc(ccc1Cl)NCC(F)F 7a_100000739366_100011934356 [0,2,0,0,0,0|2,0,0]=4 17203 B13R1.511 Fc1cc(ccc1Cl)OCC(F)F 34a_100000691581_100011934356 [0,2,0,0,0,0|1,0,0]=3 17204 B13R1.511 Fc1cc(ccc1Cl)OCC(F)F 7a_100000691581_100011934356 [0,2,0,0,0,0|1,0,0]=3 17205 B13R1.511 Fc1cc(ccc1Cl)SCC(F)F 62a_100011216805_100011934356 [0,2,0,0,0,0|1,1,0]=4 17206 B13R1.511 Fc1cc(ccc1Cl)SCC(F)F 62a_100011934356_100011216805 [0,2,0,0,0,0|1,1,0]=4 17207 B13R1.511 Fc1cc(ccc1I)OCC(F)F 34a_100009990212_100011934356 [0,2,0,0,0,0|1,1,0]=4 17208 B13R1.511 Fc1cc(ccc1I)OCC(F)F 7a_100009990212_100011934356 [0,2,0,0,0,0|1,1,0]=4 17209 B13R1.511 Fc1cc(cnc1Cl)OCC(F)F 34a_100000063512_100011934356 [0,2,0,0,0,0|2,0,0]=4 17210 B13R1.511 Fc1cc(cnc1Cl)OCC(F)F 7a_100000063512_100011934356 [0,2,0,0,0,0|2,0,0]=4 17211 B13R1.511 Fc1ccc(cc1Br)OCC(F)F 34a_100000693481_100011934356 [0,2,0,0,0,0|1,1,0]=4 17212 B13R1.511 Fc1ccc(cc1Br)OCC(F)F 7a_100000693481_100011934356 [0,2,0,0,0,0|1,1,0]=4 17213 B13R1.511 Fc1ccc(cc1Cl)OCC(F)F 34a_100000211030_100011934356 [0,2,0,0,0,0|1,1,0]=4 17214 B13R1.511 Fc1ccc(cc1Cl)OCC(F)F 7a_100000211030_100011934356 [0,2,0,0,0,0|1,1,0]=4 17215 B13R1.511 Fc1ccc(cc1F)OCC(F)F 34a_100000181275_100011934356 [0,2,0,0,0,0|1,1,0]=4 17216 B13R1.511 Fc1ccc(cc1F)OCC(F)F 7a_100000181275_100011934356 [0,2,0,0,0,0|1,1,0]=4 17217 B13R1.511 NC(=O)COc1ccc(c(c1)Br)Cl 34a_100011933957_100000187820 [0,2,0,0,0,0|0,0,2]=4 17218 B13R1.511 NC(=O)COc1ccc(c(c1)Br)Cl 7a_100011933957_100000187820 [0,2,0,0,0,0|0,0,2]=4 17219 B13R1.511 NC(=O)COc1ccc(c(c1)Cl)Cl 34a_100000211054_100000187820 [0,2,0,0,0,0|0,0,2]=4 17220 B13R1.511 NC(=O)COc1ccc(c(c1)Cl)Cl 7a_100000211054_100000187820 [0,2,0,0,0,0|0,0,2]=4 17221 B13R1.511 NC(=O)COc1ccc(c(c1)F)Cl 34a_100000691581_100000187820 [0,2,0,0,0,0|0,0,2]=4 17222 B13R1.511 NC(=O)COc1ccc(c(c1)F)Cl 7a_100000691581_100000187820 [0,2,0,0,0,0|0,0,2]=4 17223 B13R1.511 NC(=O)COc1ccc(c(c1)I)Cl 34a_100000049588_100000187820 [0,2,0,0,0,0|0,0,2]=4 17224 B13R1.511 NC(=O)COc1ccc(c(c1)I)Cl 7a_100000049588_100000187820 [0,2,0,0,0,0|0,0,2]=4 17225 B13R1.511 NC(=O)COc1ccc(c(c1)N)Cl 34a_100011934297_100000187820 [0,2,0,0,0,0|0,0,2]=4 17226 B13R1.511 Nc1cc(ccc1Br)OCC(F)F 34a_100011999798_100011934356 [0,2,0,0,0,0|1,1,0]=4 17227 B13R1.511 Nc1cc(ccc1Br)OCC(F)F 7a_100011999798_100011934356 [0,2,0,0,0,0|1,1,0]=4 17228 B13R1.511 Nc1cc(ccc1Cl)OCC(=O)[O-] 34a_100011934297_100020667443 [0,2,0,0,0,0|0,0,2]=4 17229 B13R1.511 Nc1cc(ccc1Cl)OCC(F)F 34a_100011934297_100011934356 [0,2,0,0,0,0|1,0,0]=3 17230 B13R1.511 Nc1cc(ccc1Cl)OC[N+](=O)[O-] 34a_100011934297_100000761209 [0,2,0,0,0,0|1,0,1]=4 17231 B13R1.511 Nc1cc(ccc1Cl)SCC(F)F 62a_100011934356_200000761891 [0,2,0,0,0,0|1,1,0]=4 17232 B13R1.511 Nc1cc(ccc1Cl)SCC(F)F 62a_200000761891_100011934356 [0,2,0,0,0,0|1,1,0]=4 17233 B13R1.511 Nc1cc(ccc1F)OCC(F)F 34a_100012017239_100011934356 [0,2,0,0,0,0|1,1,0]=4 17234 B13R1.511 Nc1cc(ccc1F)OCC(F)F 7a_100012017239_100011934356 [0,2,0,0,0,0|1,1,0]=4 17235 B13R1.511 Nc1ccc(cc1Br)OCC(F)F 34a_100012001276_100011934356 [0,2,0,0,0,0|2,0,0]=4 17236 B13R1.511 Nc1ccc(cc1Br)OCC(F)F 7a_100012001276_100011934356 [0,2,0,0,0,0|2,0,0]=4 17237 B13R1.511 Nc1ccc(cc1Cl)OCC(F)F 34a_100011215599_100011934356 [0,2,0,0,0,0|2,0,0]=4 17238 B13R1.511 Nc1ccc(cc1Cl)OCC(F)F 7a_100011215599_100011934356 [0,2,0,0,0,0|2,0,0]=4 17239 B13R1.511 Nc1ccc(cc1F)OCC(F)F 34a_100000759473_100011934356 [0,2,0,0,0,0|2,0,0]=4 17240 B13R1.511 Nc1ccc(cc1F)OCC(F)F 7a_100000759473_100011934356 [0,2,0,0,0,0|2,0,0]=4 17241 B13R1.511 Nc1ccc(cc1I)OCC(F)F 34a_100010084370_100011934356 [0,2,0,0,0,0|2,0,0]=4 17242 B13R1.511 Nc1ccc(cc1I)OCC(F)F 7a_100010084370_100011934356 [0,2,0,0,0,0|2,0,0]=4 17243 B13R1.511 Nc1ccc(cc1N)OCC(F)F 34a_100025771000_100011934356 [0,2,0,0,0,0|2,0,0]=4 17244 B13R1.511 O=C([O-])COc1ccc(c(c1)Br)Cl 34a_100011933957_100020667443 [0,2,0,0,0,0|0,0,2]=4 17245 B13R1.511 O=C([O-])COc1ccc(c(c1)Cl)Cl 34a_100000211054_100020667443 [0,2,0,0,0,0|0,0,2]=4 17246 B13R1.511 O=C([O-])COc1ccc(c(c1)F)Cl 34a_100000691581_100020667443 [0,2,0,0,0,0|0,0,2]=4 17247 B13R1.511 O=C([O-])COc1ccc(c(c1)I)Cl 34a_100000049588_100020667443 [0,2,0,0,0,0|0,0,2]=4 17248 B13R1.511 O=[N+]([O-])COc1ccc(c(c1)Br)Cl 34a_100011933957_100000761209 [0,2,0,0,0,0|1,0,1]=4 17249 B13R1.511 O=[N+]([O-])COc1ccc(c(c1)Cl)Cl 34a_100000211054_100000761209 [0,2,0,0,0,0|1,0,1]=4 17250 B13R1.511 O=[N+]([O-])COc1ccc(c(c1)F)Cl 34a_100000691581_100000761209 [0,2,0,0,0,0|1,0,1]=4 17251 B13R1.511 O=[N+]([O-])COc1ccc(c(c1)I)Cl 34a_100000049588_100000761209 [0,2,0,0,0,0|1,0,1]=4 17252 B13R1.511 Oc1cc(ccc1Cl)NCC(F)F 34a_100011934209_100011934356 [0,2,0,0,0,0|2,0,0]=4 17253 B13R1.511 Oc1cc(ccc1Cl)SCC(F)F 62a_100011356854_100011934356 [0,2,0,0,0,0|1,1,0]=4 17254 B13R1.511 Oc1cc(ccc1Cl)SCC(F)F 62a_100011934356_100011356854 [0,2,0,0,0,0|1,1,0]=4 17255 B13R1.511 [13CH3]C(=O)COc1ccc(c(c1)Cl)Cl 1458a_100000191221_200025704644 [0,2,0,0,0,0|0,0,2]=4 17256 B13R1.511 [13CH3]C(=O)COc1ccc(c(c1)F)Cl 1458a_100012982646_200025704644 [0,2,0,0,0,0|0,0,2]=4 17257 B13R1.512 CC(C)(C)CNc1ccc(cc1)Cl 34a_100000210052_100011219605 [0,2,0,0,0,0|2,0,0]=4 17258 B13R1.512 CC(C)(C)COc1ccc(cc1)Br 34a_100000185759_100011219605 [0,2,0,0,0,0|1,1,0]=4 17259 B13R1.512 CC(C)(C)COc1ccc(cc1)Cl 34a_100000210216_100011219605 [0,2,0,0,0,0|1,0,0]=3 17260 B13R1.512 CC(C)(C)COc1ccc(cc1)F 34a_100000210339_100011219605 [0,2,0,0,0,0|1,1,0]=4 17261 B13R1.512 CC(C)(C)COc1ccc(cc1)I 34a_100000212066_100011219605 [0,2,0,0,0,0|1,1,0]=4 17262 B13R1.512 CC(C)(C)COc1ccc(cc1)N 34a_100000185829_100011219605 [0,2,0,0,0,0|2,0,0]=4 17263 B13R1.512 CC(C)(C)COc1ccc(cc1)O 271570a_203496583355_200010229346 [0,2,0,0,0,0|2,0,0]=4 17264 B13R1.512 CC(C)(C)COc1ccc(cn1)Cl 34a_100011215309_100011219605 [0,2,0,0,0,0|2,0,0]=4 17265 B13R1.512 CC(C)(C)COc1ccc(nc1)Cl 34a_100000744096_100011219605 [0,2,0,0,0,0|2,0,0]=4 17266 B13R1.512 CC(C)(C)CSc1ccc(cc1)Cl 62a_100000755918_100011219605 [0,2,0,0,0,0|1,1,0]=4 17267 B13R1.512 CC(C)(C)CSc1ccc(cc1)Cl 62a_100011219605_100000755918 [0,2,0,0,0,0|1,1,0]=4 17268 B13R1.512 CC(C)(F)CNc1ccc(cc1)Cl 34a_100000210052_100011997219 [0,2,0,0,0,0|2,0,0]=4 17269 B13R1.512 CC(C)(F)COc1ccc(cc1)Br 34a_100000185759_100011997219 [0,2,0,0,0,0|1,1,0]=4 17270 B13R1.512 CC(C)(F)COc1ccc(cc1)Cl 34a_100000210216_100011997219 [0,2,0,0,0,0|1,0,0]=3 17271 B13R1.512 CC(C)(F)COc1ccc(cc1)F 34a_100000210339_100011997219 [0,2,0,0,0,0|1,1,0]=4 17272 B13R1.512 CC(C)(F)COc1ccc(cc1)I 34a_100000212066_100011997219 [0,2,0,0,0,0|1,1,0]=4 17273 B13R1.512 CC(C)(F)COc1ccc(cc1)N 34a_100000185829_100011997219 [0,2,0,0,0,0|2,0,0]=4 17274 B13R1.512 CC(C)(F)COc1ccc(cn1)Cl 34a_100011215309_100011997219 [0,2,0,0,0,0|2,0,0]=4 17275 B13R1.512 CC(C)(F)COc1ccc(nc1)Cl 34a_100000744096_100011997219 [0,2,0,0,0,0|2,0,0]=4 17276 B13R1.512 CC(C)(F)CSc1ccc(cc1)Cl 62a_100000755918_100011997219 [0,2,0,0,0,0|1,1,0]=4 17277 B13R1.512 CC(C)(F)CSc1ccc(cc1)Cl 62a_100011997219_100000755918 [0,2,0,0,0,0|1,1,0]=4 17278 B13R1.512 CC(C)(O)C=Cc1ccc(cc1)Cl 271570a_200016258132_100000755918 [0,2,0,0,0,0|1,0,1]=4 17279 B13R1.512 CC(C)(O)CNc1ccc(cc1)Br 34a_100000210018_100000764493 [0,2,0,0,0,0|1,1,0]=4 17280 B13R1.512 CC(C)(O)CNc1ccc(cc1)Cl 34a_100000210052_100000764493 [0,2,0,0,0,0|1,0,0]=3 17281 B13R1.512 CC(C)(O)CNc1ccc(cc1)F 34a_100000185862_100000764493 [0,2,0,0,0,0|1,1,0]=4 17282 B13R1.512 CC(C)(O)CNc1ccc(cc1)I 34a_100000185761_100000764493 [0,2,0,0,0,0|1,1,0]=4 17283 B13R1.512 CC(C)(O)CNc1ccc(cc1)O 34a_100000185829_100000764493 [0,2,0,0,0,0|2,0,0]=4 17284 B13R1.512 CC(C)(O)COc1ccc(=O)[nH]c1 34a_100000075641_100000764493 [0,2,0,0,0,0|2,0,0]=4 17285 B13R1.512 CC(C)(O)COc1ccc(cc1)Br 34a_100000185759_100000764493 [0,2,0,0,0,0|0,1,0]=3 17286 B13R1.512 CC(C)(O)COc1ccc(cc1)Br 7a_100000185759_100000764493 [0,2,0,0,0,0|0,1,0]=3 17287 B13R1.512 CC(C)(O)COc1ccc(cc1)Cl 34a_100000210216_100000764493 [0,2,0,0,0,0|0,0,0]=2 17288 B13R1.512 CC(C)(O)COc1ccc(cc1)Cl 7a_100000210216_100000764493 [0,2,0,0,0,0|0,0,0]=2 17289 B13R1.512 CC(C)(O)COc1ccc(cc1)F 34a_100000210339_100000764493 [0,2,0,0,0,0|0,1,0]=3 17290 B13R1.512 CC(C)(O)COc1ccc(cc1)I 34a_100000212066_100000764493 [0,2,0,0,0,0|0,1,0]=3 17291 B13R1.512 CC(C)(O)COc1ccc(cc1)I 7a_100000212066_100000764493 [0,2,0,0,0,0|0,1,0]=3 17292 B13R1.512 CC(C)(O)COc1ccc(cc1)N 34a_100000185829_100000764493 [0,2,0,0,0,0|1,0,0]=3 17293 B13R1.512 CC(C)(O)COc1ccc(cn1)Cl 34a_100011215309_100000764493 [0,2,0,0,0,0|1,0,0]=3 17294 B13R1.512 CC(C)(O)COc1ccc(cn1)F 34a_100000742473_100000764493 [0,2,0,0,0,0|1,1,0]=4 17295 B13R1.512 CC(C)(O)COc1ccc(cn1)N 34a_100000729260_100000764493 [0,2,0,0,0,0|2,0,0]=4 17296 B13R1.512 CC(C)(O)COc1ccc(nc1)Br 34a_100000685995_100000764493 [0,2,0,0,0,0|1,1,0]=4 17297 B13R1.512 CC(C)(O)COc1ccc(nc1)Br 7a_100000685995_100000764493 [0,2,0,0,0,0|1,1,0]=4 17298 B13R1.512 CC(C)(O)COc1ccc(nc1)Cl 34a_100000744096_100000764493 [0,2,0,0,0,0|1,0,0]=3 17299 B13R1.512 CC(C)(O)COc1ccc(nc1)Cl 7a_100000744096_100000764493 [0,2,0,0,0,0|1,0,0]=3 17300 B13R1.512 CC(C)(O)COc1ccc(nc1)F 34a_100000688820_100000764493 [0,2,0,0,0,0|1,1,0]=4 17301 B13R1.512 CC(C)(O)COc1ccc(nc1)F 7a_100000688820_100000764493 [0,2,0,0,0,0|1,1,0]=4 17302 B13R1.512 CC(C)(O)COc1ccc(nc1)I 34a_100000687607_100000764493 [0,2,0,0,0,0|1,1,0]=4 17303 B13R1.512 CC(C)(O)COc1ccc(nc1)I 7a_100000687607_100000764493 [0,2,0,0,0,0|1,1,0]=4 17304 B13R1.512 CC(C)(O)COc1ccc(nc1)N 34a_100015188713_100000764493 [0,2,0,0,0,0|2,0,0]=4 17305 B13R1.512 CC(C)(O)COc1ccc(nc1)N 7a_100015188713_100000764493 [0,2,0,0,0,0|2,0,0]=4 17306 B13R1.512 CC(C)(O)COc1cnc(cn1)Cl 34a_100015839800_100000764493 [0,2,0,0,0,0|2,0,0]=4 17307 B13R1.512 CC(C)(O)COc1cnc(nc1)Cl 34a_100000092845_100000764493 [0,2,0,0,0,0|2,0,0]=4 17308 B13R1.512 CC(C)(O)COc1cnc(nc1)Cl 7a_100000092845_100000764493 [0,2,0,0,0,0|2,0,0]=4 17309 B13R1.512 CC(C)(O)CSc1ccc(cc1)Br 62a_100000752885_100000764493 [0,2,0,0,0,0|0,2,0]=4 17310 B13R1.512 CC(C)(O)CSc1ccc(cc1)Br 62a_100000764493_100000752885 [0,2,0,0,0,0|0,2,0]=4 17311 B13R1.512 CC(C)(O)CSc1ccc(cc1)Cl 62a_100000755918_100000764493 [0,2,0,0,0,0|0,1,0]=3 17312 B13R1.512 CC(C)(O)CSc1ccc(cc1)Cl 62a_100000764493_100000755918 [0,2,0,0,0,0|0,1,0]=3 17313 B13R1.512 CC(C)(O)CSc1ccc(cc1)F 62a_100000211213_100000764493 [0,2,0,0,0,0|0,2,0]=4 17314 B13R1.512 CC(C)(O)CSc1ccc(cc1)F 62a_100000764493_100000211213 [0,2,0,0,0,0|0,2,0]=4 17315 B13R1.512 CC(C)(O)CSc1ccc(cc1)N 62a_100000185761_100000764493 [0,2,0,0,0,0|1,1,0]=4 17316 B13R1.512 CC(C)(O)CSc1ccc(cc1)N 62a_100000764493_100000185761 [0,2,0,0,0,0|1,1,0]=4 17317 B13R1.512 CC(C)(O)CSc1ccc(cc1)O 62a_100000764493_100000185759 [0,2,0,0,0,0|1,1,0]=4 17318 B13R1.512 CC(C)(O)CSc1ccc(cn1)Cl 62a_100000764493_100011356976 [0,2,0,0,0,0|1,1,0]=4 17319 B13R1.512 CC(C)(O)CSc1ccc(cn1)Cl 62a_100011356976_100000764493 [0,2,0,0,0,0|1,1,0]=4 17320 B13R1.512 CC(C)(O)CSc1ccc(nc1)Cl 62a_100000034144_100000764493 [0,2,0,0,0,0|1,1,0]=4 17321 B13R1.512 CC(C)(O)CSc1ccc(nc1)Cl 62a_100000764493_100000034144 [0,2,0,0,0,0|1,1,0]=4 17322 B13R1.512 C[Si](C)(C)COc1ccc(cc1)Cl 7a_100000210216_100000233785 [0,2,0,0,0,0|1,1,0]=4 17323 B13R1.512 Cc1ccc(cc1)NCC(C)(C)O 34a_100000124888_100000764493 [0,2,0,0,0,0|2,0,0]=4 17324 B13R1.512 Cc1ccc(cc1)OCC(C)(C)C 34a_100000210336_100011219605 [0,2,0,0,0,0|2,0,0]=4 17325 B13R1.512 Cc1ccc(cc1)OCC(C)(C)F 34a_100000210336_100011997219 [0,2,0,0,0,0|2,0,0]=4 17326 B13R1.512 Cc1ccc(cc1)OCC(C)(C)O 34a_100000210336_100000764493 [0,2,0,0,0,0|1,0,0]=3 17327 B13R1.512 Cc1ccc(cc1)OCC(C)(C)O 7a_100000210336_100000764493 [0,2,0,0,0,0|1,0,0]=3 17328 B13R1.512 Cc1ccc(cc1)SCC(C)(C)O 62a_100000186775_100000764493 [0,2,0,0,0,0|1,1,0]=4 17329 B13R1.512 Cc1ccc(cc1)SCC(C)(C)O 62a_100000764493_100000186775 [0,2,0,0,0,0|1,1,0]=4 17330 B13R1.512 Cc1ccc(cn1)OCC(C)(C)O 34a_100000745506_100000764493 [0,2,0,0,0,0|2,0,0]=4 17331 B13R1.512 Cc1ccc(cn1)OCC(C)(C)O 7a_100000745506_100000764493 [0,2,0,0,0,0|2,0,0]=4 17332 B13R1.512 Cc1ccc(nc1)OCC(C)(C)O 34a_100000759353_100000764493 [0,2,0,0,0,0|2,0,0]=4 17333 B13R1.512 FC(F)(F)CNc1ccc(cc1)Cl 2230a_100000210052_100000763148 [0,2,0,0,0,0|2,0,0]=4 17334 B13R1.512 FC(F)(F)CSc1ccc(cc1)Cl 62a_100000755918_100000763148 [0,2,0,0,0,0|1,1,0]=4 17335 B13R1.512 FC(F)(F)CSc1ccc(cc1)Cl 62a_100000763148_100000755918 [0,2,0,0,0,0|1,1,0]=4 17336 B13R1.512 O=S(=O)([O-])COc1ccc(cc1)Cl 34a_100000210216_100009817235 [0,2,0,0,0,0|1,0,1]=4 17337 B13R1.512 Oc1ccc(cc1)OCC(F)(F)F 271570a_203496583355_100000764460 [0,2,0,0,0,0|2,0,0]=4 17338 B13R1.5 C#Cc1ccc(cc1)NC(C)CO 34a_100011215031_100012180447 [0,2,0,0,0,0|2,0,0]=4 17339 B13R1.5 C#Cc1ccc(nc1)OC(C)CO 34a_200009884252_100012180447 [0,2,0,0,0,0|2,0,0]=4 17340 B13R1.5 C=Cc1ccc(cc1)NC(C)CO 34a_100011218248_100012180447 [0,2,0,0,0,0|2,0,0]=4 17341 B13R1.5 C=Cc1ccc(cc1)OC(C)CC 34a_100000189437_100011215416 [0,2,0,0,0,0|2,0,0]=4 17342 B13R1.5 C=Cc1ccc(cc1)OC(C)CC 7a_100000189437_100000758301 [0,2,0,0,0,0|2,0,0]=4 17343 B13R1.5 C=Cc1ccc(cc1)OC(C)CO 34a_100000189437_100012180447 [0,2,0,0,0,0|1,0,0]=3 17344 B13R1.5 C=Cc1ccc(cc1)OC(C)CO 7a_100000189437_100012180447 [0,2,0,0,0,0|1,0,0]=3 17345 B13R1.5 C=Cc1ccc(cc1)SC(C)CO 62a_100012180447_100000748128 [0,2,0,0,0,0|1,1,0]=4 17346 B13R1.5 C=Cc1ccc(cc1)S[C@H](C)CO 62a_100000748128_100016084084 [0,2,0,0,0,0|1,1,0]=4 17347 B13R1.5 C=Cc1ccc(cc1)S[C@H](C)CO 62a_100016084084_100000748128 [0,2,0,0,0,0|1,1,0]=4 17348 B13R1.5 CC(CO)Nc1ccc(cc1)C#N 34a_100000185469_100012180447 [0,2,0,0,0,0|2,0,0]=4 17349 B13R1.5 CC(CO)Nc1ccc(cc1)CO 2230a_100011215238_100012180447 [0,2,0,0,0,0|2,0,0]=4 17350 B13R1.5 CC(CO)Nc1ccc(cc1)CO 34a_100011215238_100012180447 [0,2,0,0,0,0|2,0,0]=4 17351 B13R1.5 CC(CO)Oc1ccc(cc1)C#N 34a_100000210344_100012180447 [0,2,0,0,0,0|1,0,0]=3 17352 B13R1.5 CC(CO)Oc1ccc(cc1)C#N 7a_100000210344_100012180447 [0,2,0,0,0,0|1,0,0]=3 17353 B13R1.5 CC(CO)Oc1ccc(cc1)CN 34a_100000185549_100012180447 [0,2,0,0,0,0|1,0,0]=3 17354 B13R1.5 CC(CO)Oc1ccc(cc1)CO 34a_100000211755_100012180447 [0,2,0,0,0,0|1,0,0]=3 17355 B13R1.5 CC(CO)Oc1ccc(cn1)CN 34a_100000757128_100012180447 [0,2,0,0,0,0|2,0,0]=4 17356 B13R1.5 CC(CO)Oc1ccc(nc1)C#N 34a_100011934750_100012180447 [0,2,0,0,0,0|2,0,0]=4 17357 B13R1.5 CC(CO)Oc1ccc(nc1)C#N 7a_100011934750_100012180447 [0,2,0,0,0,0|2,0,0]=4 17358 B13R1.5 CC(CO)Oc1ccc(nc1)CN 34a_100020605196_100012180447 [0,2,0,0,0,0|2,0,0]=4 17359 B13R1.5 CC(CO)Oc1ccc(nc1)CO 34a_103436540053_100012180447 [0,2,0,0,0,0|2,0,0]=4 17360 B13R1.5 CC(CO)Sc1ccc(cc1)C#N 62a_100012180447_100000184291 [0,2,0,0,0,0|1,1,0]=4 17361 B13R1.5 CC(CO)Sc1ccc(cc1)C=O 62a_100012180447_100000188517 [0,2,0,0,0,0|1,1,0]=4 17362 B13R1.5 CC(CO)Sc1ccc(cc1)CF 62a_100012180447_100010268989 [0,2,0,0,0,0|0,2,0]=4 17363 B13R1.5 CC(CO)Sc1ccc(cc1)CN 62a_100012180447_100016989417 [0,2,0,0,0,0|1,1,0]=4 17364 B13R1.5 CC(CO)Sc1ccc(cc1)CO 62a_100012180447_100000690907 [0,2,0,0,0,0|1,1,0]=4 17365 B13R1.5 CC(CO)Sc1ccc(cc1)NN 62a_100012180447_100016988836 [0,2,0,0,0,0|1,1,0]=4 17366 B13R1.5 CCC(C)Oc1ccc(cc1)C#N 34a_100000210344_100011215416 [0,2,0,0,0,0|2,0,0]=4 17367 B13R1.5 CCC(C)Oc1ccc(cc1)C#N 7a_100000210344_100000758301 [0,2,0,0,0,0|2,0,0]=4 17368 B13R1.5 CCC(C)Oc1ccc(cc1)CN 34a_100000185549_100011215416 [0,2,0,0,0,0|2,0,0]=4 17369 B13R1.5 CCC(C)Oc1ccc(cc1)CO 34a_100000211755_100011215416 [0,2,0,0,0,0|2,0,0]=4 17370 B13R1.5 CCC(C)Oc1ccc(cc1)NC 34a_100000182112_100011215416 [0,2,0,0,0,0|2,0,0]=4 17371 B13R1.5 CCC(C)Oc1ccc(cc1)NC 34a_100000743956_200000210301 [0,2,0,0,0,0|2,0,0]=4 17372 B13R1.5 CCC(C)Oc1ccc(cc1)NC 7a_100000743956_200000210301 [0,2,0,0,0,0|2,0,0]=4 17373 B13R1.5 CCC(C)Oc1ccc(cc1)N[13CH3] 34a_100000743956_200025704644 [0,2,0,0,0,0|2,0,0]=4 17374 B13R1.5 CCC(C)Oc1ccc(cc1)N[13CH3] 7a_100000743956_200025704644 [0,2,0,0,0,0|2,0,0]=4 17375 B13R1.5 CCC(C)Oc1ccc(cc1)OC 34a_100000210503_100011215416 [0,2,0,0,0,0|2,0,0]=4 17376 B13R1.5 CCC(C)Oc1ccc(cc1)SC 34a_100000211864_100011215416 [0,2,0,0,0,0|2,0,0]=4 17377 B13R1.5 CCc1ccc(cc1)NC(C)CO 2230a_100000211069_100012180447 [0,2,0,0,0,0|2,0,0]=4 17378 B13R1.5 CCc1ccc(cc1)NC(C)CO 34a_100000211069_100012180447 [0,2,0,0,0,0|2,0,0]=4 17379 B13R1.5 CCc1ccc(cc1)OC(C)CC 34a_100000211359_100011215416 [0,2,0,0,0,0|2,0,0]=4 17380 B13R1.5 CCc1ccc(cc1)OC(C)CC 7a_100000211359_100000758301 [0,2,0,0,0,0|2,0,0]=4 17381 B13R1.5 CCc1ccc(cc1)OC(C)CO 34a_100000211359_100012180447 [0,2,0,0,0,0|1,0,0]=3 17382 B13R1.5 CCc1ccc(cc1)OC(C)CO 7a_100000211359_100012180447 [0,2,0,0,0,0|1,0,0]=3 17383 B13R1.5 CCc1ccc(cc1)SC(C)CO 62a_100012180447_100011215824 [0,2,0,0,0,0|1,1,0]=4 17384 B13R1.5 CCc1ccc(cc1)S[C@H](C)CO 62a_100011215824_100016084084 [0,2,0,0,0,0|1,1,0]=4 17385 B13R1.5 CCc1ccc(cc1)S[C@H](C)CO 62a_100016084084_100011215824 [0,2,0,0,0,0|1,1,0]=4 17386 B13R1.5 CNc1ccc(cc1)OC(C)CO 34a_100000182112_100012180447 [0,2,0,0,0,0|1,0,0]=3 17387 B13R1.5 CNc1ccc(cc1)SC(C)CO 62a_100012180447_100000743151 [0,2,0,0,0,0|1,1,0]=4 17388 B13R1.5 CNc1ccc(cc1)S[C@H](C)CO 62a_100000743151_100016084084 [0,2,0,0,0,0|1,1,0]=4 17389 B13R1.5 CNc1ccc(cc1)S[C@H](C)CO 62a_100016084084_100000743151 [0,2,0,0,0,0|1,1,0]=4 17390 B13R1.5 COc1ccc(cc1)C[C@@H](N)CO 34a_100020629837_200000210301 [0,2,0,0,0,0|2,0,0]=4 17391 B13R1.5 COc1ccc(cc1)NC(C)CO 34a_100000184247_100012180447 [0,2,0,0,0,0|2,0,0]=4 17392 B13R1.5 COc1ccc(cc1)OC(C)CO 34a_100000210503_100012180447 [0,2,0,0,0,0|1,0,0]=3 17393 B13R1.5 COc1ccc(cc1)SC(C)CO 62a_100012180447_100000171711 [0,2,0,0,0,0|1,1,0]=4 17394 B13R1.5 COc1ccc(cc1)S[C@H](C)CO 62a_100016084084_100000171711 [0,2,0,0,0,0|1,1,0]=4 17395 B13R1.5 COc1ccc(cn1)OC(C)CO 34a_100011934560_100012180447 [0,2,0,0,0,0|2,0,0]=4 17396 B13R1.5 COc1ccc(nc1)OC(C)CO 34a_100012002028_100012180447 [0,2,0,0,0,0|2,0,0]=4 17397 B13R1.5 CSc1ccc(cc1)NC(C)CO 34a_100000212337_100012180447 [0,2,0,0,0,0|2,0,0]=4 17398 B13R1.5 CSc1ccc(cc1)OC(C)CO 34a_100000211864_100012180447 [0,2,0,0,0,0|1,0,0]=3 17399 B13R1.5 CSc1ccc(cc1)SC(C)CO 62a_100012180447_100011263217 [0,2,0,0,0,0|1,1,0]=4 17400 B13R1.5 CSc1ccc(cc1)S[C@H](C)CO 62a_100011263217_100016084084 [0,2,0,0,0,0|1,1,0]=4 17401 B13R1.5 CSc1ccc(cc1)S[C@H](C)CO 62a_100016084084_100011263217 [0,2,0,0,0,0|1,1,0]=4 17402 B13R1.5 C[C@H](CO)Sc1ccc(cc1)C#N 62a_100016084084_100000184291 [0,2,0,0,0,0|1,1,0]=4 17403 B13R1.5 C[C@H](CO)Sc1ccc(cc1)C=O 62a_100000188517_100016084084 [0,2,0,0,0,0|1,1,0]=4 17404 B13R1.5 C[C@H](CO)Sc1ccc(cc1)C=O 62a_100016084084_100000188517 [0,2,0,0,0,0|1,1,0]=4 17405 B13R1.5 C[C@H](CO)Sc1ccc(cc1)CF 62a_100010268989_100016084084 [0,2,0,0,0,0|0,2,0]=4 17406 B13R1.5 C[C@H](CO)Sc1ccc(cc1)CF 62a_100016084084_100010268989 [0,2,0,0,0,0|0,2,0]=4 17407 B13R1.5 C[C@H](CO)Sc1ccc(cc1)CN 62a_100016084084_100016989417 [0,2,0,0,0,0|1,1,0]=4 17408 B13R1.5 C[C@H](CO)Sc1ccc(cc1)CN 62a_100016989417_100016084084 [0,2,0,0,0,0|1,1,0]=4 17409 B13R1.5 C[C@H](CO)Sc1ccc(cc1)CO 62a_100000690907_100016084084 [0,2,0,0,0,0|1,1,0]=4 17410 B13R1.5 C[C@H](CO)Sc1ccc(cc1)CO 62a_100016084084_100000690907 [0,2,0,0,0,0|1,1,0]=4 17411 B13R1.5 C[C@H](CO)Sc1ccc(cc1)NN 62a_100016084084_100016988836 [0,2,0,0,0,0|1,1,0]=4 17412 B13R1.5 C[C@H](CO)Sc1ccc(cc1)NN 62a_100016988836_100016084084 [0,2,0,0,0,0|1,1,0]=4 17413 B13R1.5 [13CH3]Oc1ccc(cc1)C[C@@H](N)CO 34a_100020629837_200025704644 [0,2,0,0,0,0|2,0,0]=4 17414 B13R1.145 CCC(CC)Oc1ccc(cc1)Br 7a_100000185759_100000210505 [0,2,0,0,0,0|1,1,0]=4 17415 B13R1.145 CCC(CC)Oc1ccc(cc1)C 7a_100000210336_100000210505 [0,2,0,0,0,0|2,0,0]=4 17416 B13R1.145 CCC(CC)Oc1ccc(cc1)Cl 7a_100000210216_100000210505 [0,2,0,0,0,0|1,0,0]=3 17417 B13R1.145 CCC(CC)Oc1ccc(cc1)I 7a_100000212066_100000210505 [0,2,0,0,0,0|1,1,0]=4 17418 B13R1.145 CCC(CC)Oc1ccc(nc1)Cl 7a_100000744096_100000210505 [0,2,0,0,0,0|2,0,0]=4 17419 B13R1.145 CCC(CC)Sc1ccc(cc1)Cl 62a_100000210505_100000755918 [0,2,0,0,0,0|1,1,0]=4 17420 B13R1.145 CCC(CC)Sc1ccc(cc1)Cl 62a_100000755918_100000210505 [0,2,0,0,0,0|1,1,0]=4 17421 B13R1.145 CNC(CO)Cc1ccc(cc1)Cl 2230a_100025702442_200000210301 [0,2,0,0,0,0|1,0,0]=3 17422 B13R1.145 CNC(CO)Cc1ccc(cc1)Cl 34a_100025702442_200000210301 [0,2,0,0,0,0|1,0,0]=3 17423 B13R1.145 CN[C@@H](CO)Cc1ccc(cc1)O 2230a_100020629837_200000210301 [0,2,0,0,0,0|2,0,0]=4 17424 B13R1.145 CN[C@@H](CO)Cc1ccc(cc1)O 34a_100020629837_200000210301 [0,2,0,0,0,0|2,0,0]=4 17425 B13R1.145 O=CC(C=O)Oc1ccc(cc1)Cl 34a_100000210216_100000736813 [0,2,0,0,0,0|0,0,2]=4 17426 B13R1.145 [13CH3]NC(CO)Cc1ccc(cc1)Cl 2230a_100025702442_200025704644 [0,2,0,0,0,0|1,0,0]=3 17427 B13R1.145 [13CH3]NC(CO)Cc1ccc(cc1)Cl 34a_100025702442_200025704644 [0,2,0,0,0,0|1,0,0]=3 17428 B13R1.145 [13CH3]N[C@@H](CO)Cc1ccc(cc1)O 2230a_100020629837_200025704644 [0,2,0,0,0,0|2,0,0]=4 17429 B13R1.145 [13CH3]N[C@@H](CO)Cc1ccc(cc1)O 34a_100020629837_200025704644 [0,2,0,0,0,0|2,0,0]=4 17430 B13R1.249 C#CC(C)(C)Oc1ccc(cc1)Cl 34a_100000210216_100000038118 [0,2,0,0,0,0|1,0,1]=4 17431 B13R1.249 CC(C)(C#N)Oc1ccc(cc1)Cl 34a_100000210216_100011162410 [0,2,0,0,0,0|1,0,1]=4 17432 B13R1.249 CC(C)(C#N)Oc1ccc(cc1)Cl 7a_100000210216_100011162410 [0,2,0,0,0,0|1,0,1]=4 17433 B13R1.249 CCC(C)(C)Oc1ccc(cc1)Br 7a_100000185759_100000210677 [0,2,0,0,0,0|1,1,0]=4 17434 B13R1.249 CCC(C)(C)Oc1ccc(cc1)C 7a_100000210336_100000210677 [0,2,0,0,0,0|2,0,0]=4 17435 B13R1.249 CCC(C)(C)Oc1ccc(cc1)Cl 7a_100000210216_100000210677 [0,2,0,0,0,0|1,0,0]=3 17436 B13R1.249 CCC(C)(C)Oc1ccc(cc1)I 7a_100000212066_100000210677 [0,2,0,0,0,0|1,1,0]=4 17437 B13R1.249 CCC(C)(C)Oc1ccc(nc1)Cl 7a_100000744096_100000210677 [0,2,0,0,0,0|2,0,0]=4 17438 B13R1.249 CCC(C)(C)Sc1ccc(cc1)Cl 62a_100000032637_100000755918 [0,2,0,0,0,0|1,1,0]=4 17439 B13R1.249 CCC(C)(C)Sc1ccc(cc1)Cl 62a_100000755918_100000032637 [0,2,0,0,0,0|1,1,0]=4 17440 B13R1.249 Cc1ccc(cc1)SC(F)(F)CO 62a_100000186775_100011217949 [0,2,0,0,0,0|1,1,0]=4 17441 B13R1.249 Cc1ccc(cc1)SC(F)(F)CO 62a_100011217949_100000186775 [0,2,0,0,0,0|1,1,0]=4 17442 B13R1.249 Nc1ccc(cc1)SC(F)(F)CO 62a_100000185761_100011217949 [0,2,0,0,0,0|1,1,0]=4 17443 B13R1.249 Nc1ccc(cc1)SC(F)(F)CO 62a_100011217949_100000185761 [0,2,0,0,0,0|1,1,0]=4 17444 B13R1.249 OCC(F)(F)Sc1ccc(cc1)Br 62a_100000752885_100011217949 [0,2,0,0,0,0|0,2,0]=4 17445 B13R1.249 OCC(F)(F)Sc1ccc(cc1)Br 62a_100011217949_100000752885 [0,2,0,0,0,0|0,2,0]=4 17446 B13R1.249 OCC(F)(F)Sc1ccc(cc1)Cl 62a_100000755918_100011217949 [0,2,0,0,0,0|0,1,0]=3 17447 B13R1.249 OCC(F)(F)Sc1ccc(cc1)Cl 62a_100011217949_100000755918 [0,2,0,0,0,0|0,1,0]=3 17448 B13R1.249 OCC(F)(F)Sc1ccc(cc1)F 62a_100000211213_100011217949 [0,2,0,0,0,0|0,2,0]=4 17449 B13R1.249 OCC(F)(F)Sc1ccc(cc1)F 62a_100011217949_100000211213 [0,2,0,0,0,0|0,2,0]=4 17450 B13R1.249 OCC(F)(F)Sc1ccc(cc1)O 62a_100011217949_100000185759 [0,2,0,0,0,0|1,1,0]=4 17451 B13R1.249 OCC(F)(F)Sc1ccc(cn1)Cl 62a_100011217949_100011356976 [0,2,0,0,0,0|1,1,0]=4 17452 B13R1.249 OCC(F)(F)Sc1ccc(cn1)Cl 62a_100011356976_100011217949 [0,2,0,0,0,0|1,1,0]=4 17453 B13R1.249 OCC(F)(F)Sc1ccc(nc1)Cl 62a_100000034144_100011217949 [0,2,0,0,0,0|1,1,0]=4 17454 B13R1.249 OCC(F)(F)Sc1ccc(nc1)Cl 62a_100011217949_100000034144 [0,2,0,0,0,0|1,1,0]=4 17455 B13R1.2679 C#CC(C)Oc1ccc(cc1Br)Cl 34a_100000211998_200000035995 [0,2,0,0,0,0|1,0,1]=4 17456 B13R1.2679 C#CC(C)Oc1ccc(cc1C)Cl 34a_100000211091_200000035995 [0,2,0,0,0,0|1,0,1]=4 17457 B13R1.2679 C#CC(C)Oc1ccc(cc1Cl)Cl 34a_100015191787_200000035995 [0,2,0,0,0,0|1,0,1]=4 17458 B13R1.2679 C#CC(C)Oc1ccc(cc1F)Cl 34a_100000230166_200000035995 [0,2,0,0,0,0|1,0,1]=4 17459 B13R1.2679 C#CC(C)Oc1ccc(cc1I)Cl 34a_100011356953_200000035995 [0,2,0,0,0,0|1,0,1]=4 17460 B13R1.2679 C#CC(C)Oc1ccc(cc1N)Cl 34a_100000210500_200000035995 [0,2,0,0,0,0|1,0,1]=4 17461 B13R1.2679 CC(C#N)Oc1ccc(cc1Br)Cl 7a_100000211998_100000703298 [0,2,0,0,0,0|1,0,1]=4 17462 B13R1.2679 CC(C#N)Oc1ccc(cc1Cl)Cl 7a_100015191787_100000703298 [0,2,0,0,0,0|1,0,1]=4 17463 B13R1.2679 CC(C#N)Oc1ccc(cc1F)Cl 7a_100000230166_100000703298 [0,2,0,0,0,0|1,0,1]=4 17464 B13R1.2679 CC(C#N)Oc1ccc(cc1I)Cl 7a_100011356953_100000703298 [0,2,0,0,0,0|1,0,1]=4 17465 B13R1.2679 CC(C#N)Oc1ccc(cc1N)Cl 7a_100000210500_100000703298 [0,2,0,0,0,0|1,0,1]=4 17466 B13R1.2679 CC(CO)Nc1ccc(cc1Br)Br 34a_100000211012_100012180447 [0,2,0,0,0,0|1,1,0]=4 17467 B13R1.2679 CC(CO)Nc1ccc(cc1Br)Cl 34a_100000752454_100012180447 [0,2,0,0,0,0|1,0,0]=3 17468 B13R1.2679 CC(CO)Nc1ccc(cc1Br)F 34a_100000738039_100012180447 [0,2,0,0,0,0|1,1,0]=4 17469 B13R1.2679 CC(CO)Nc1ccc(cc1Br)O 34a_100012001276_100012180447 [0,2,0,0,0,0|2,0,0]=4 17470 B13R1.2679 CC(CO)Nc1ccc(cc1Cl)Br 34a_100000211467_100012180447 [0,2,0,0,0,0|1,1,0]=4 17471 B13R1.2679 CC(CO)Nc1ccc(cc1Cl)Cl 34a_100000185861_100012180447 [0,2,0,0,0,0|1,0,0]=3 17472 B13R1.2679 CC(CO)Nc1ccc(cc1Cl)F 34a_100000212003_100012180447 [0,2,0,0,0,0|1,1,0]=4 17473 B13R1.2679 CC(CO)Nc1ccc(cc1Cl)I 34a_100011218065_100012180447 [0,2,0,0,0,0|1,1,0]=4 17474 B13R1.2679 CC(CO)Nc1ccc(cc1Cl)O 34a_100011215599_100012180447 [0,2,0,0,0,0|2,0,0]=4 17475 B13R1.2679 CC(CO)Nc1ccc(cc1F)Br 34a_100000210722_100012180447 [0,2,0,0,0,0|1,1,0]=4 17476 B13R1.2679 CC(CO)Nc1ccc(cc1F)Cl 34a_100000211020_100012180447 [0,2,0,0,0,0|1,0,0]=3 17477 B13R1.2679 CC(CO)Nc1ccc(cc1F)F 34a_100000210720_100012180447 [0,2,0,0,0,0|1,1,0]=4 17478 B13R1.2679 CC(CO)Nc1ccc(cc1F)I 34a_100011215594_100012180447 [0,2,0,0,0,0|1,1,0]=4 17479 B13R1.2679 CC(CO)Nc1ccc(cc1F)O 34a_100000759473_100012180447 [0,2,0,0,0,0|2,0,0]=4 17480 B13R1.2679 CC(CO)Nc1ccc(cc1I)Br 34a_100000187925_100012180447 [0,2,0,0,0,0|1,1,0]=4 17481 B13R1.2679 CC(CO)Nc1ccc(cc1I)Cl 34a_100000761889_100012180447 [0,2,0,0,0,0|1,0,0]=3 17482 B13R1.2679 CC(CO)Nc1ccc(cc1I)F 34a_100000760547_100012180447 [0,2,0,0,0,0|1,1,0]=4 17483 B13R1.2679 CC(CO)Nc1ccc(cc1I)O 34a_100010084370_100012180447 [0,2,0,0,0,0|2,0,0]=4 17484 B13R1.2679 CC(CO)Nc1ccc(cc1O)Br 34a_100000739049_100012180447 [0,2,0,0,0,0|1,1,0]=4 17485 B13R1.2679 CC(CO)Nc1ccc(cc1O)Cl 34a_100000185728_100012180447 [0,2,0,0,0,0|1,0,0]=3 17486 B13R1.2679 CC(CO)Nc1ccc(cc1O)F 34a_100000753323_100012180447 [0,2,0,0,0,0|1,1,0]=4 17487 B13R1.2679 CC(CO)Nc1ccc(cc1O)O 34a_100000106777_100012180447 [0,2,0,0,0,0|2,0,0]=4 17488 B13R1.2679 CC(CO)Oc1ccc(cc1Br)Br 34a_100000188717_100012180447 [0,2,0,0,0,0|0,1,0]=3 17489 B13R1.2679 CC(CO)Oc1ccc(cc1Br)Br 7a_100000188717_100012180447 [0,2,0,0,0,0|0,1,0]=3 17490 B13R1.2679 CC(CO)Oc1ccc(cc1Br)Cl 34a_100000211998_100012180447 [0,2,0,0,0,0|0,0,0]=2 17491 B13R1.2679 CC(CO)Oc1ccc(cc1Br)Cl 7a_100000211998_100012180447 [0,2,0,0,0,0|0,0,0]=2 17492 B13R1.2679 CC(CO)Oc1ccc(cc1Br)F 34a_100000211999_100012180447 [0,2,0,0,0,0|0,1,0]=3 17493 B13R1.2679 CC(CO)Oc1ccc(cc1Br)F 7a_100000211999_100012180447 [0,2,0,0,0,0|0,1,0]=3 17494 B13R1.2679 CC(CO)Oc1ccc(cc1Br)I 34a_100012361655_100012180447 [0,2,0,0,0,0|0,1,0]=3 17495 B13R1.2679 CC(CO)Oc1ccc(cc1Br)I 7a_100012361655_100012180447 [0,2,0,0,0,0|0,1,0]=3 17496 B13R1.2679 CC(CO)Oc1ccc(cc1Br)N 34a_100011534360_100012180447 [0,2,0,0,0,0|1,0,0]=3 17497 B13R1.2679 CC(CO)Oc1ccc(cc1Br)N 7a_100011534360_100012180447 [0,2,0,0,0,0|1,0,0]=3 17498 B13R1.2679 CC(CO)Oc1ccc(cc1Cl)Br 34a_100000186472_100012180447 [0,2,0,0,0,0|0,1,0]=3 17499 B13R1.2679 CC(CO)Oc1ccc(cc1Cl)Br 7a_100000186472_100012180447 [0,2,0,0,0,0|0,1,0]=3 17500 B13R1.2679 CC(CO)Oc1ccc(cc1Cl)Cl 34a_100015191787_100012180447 [0,2,0,0,0,0|0,0,0]=2 17501 B13R1.2679 CC(CO)Oc1ccc(cc1Cl)Cl 7a_100015191787_100012180447 [0,2,0,0,0,0|0,0,0]=2 17502 B13R1.2679 CC(CO)Oc1ccc(cc1Cl)F 34a_100000212004_100012180447 [0,2,0,0,0,0|0,1,0]=3 17503 B13R1.2679 CC(CO)Oc1ccc(cc1Cl)F 7a_100000212004_100012180447 [0,2,0,0,0,0|0,1,0]=3 17504 B13R1.2679 CC(CO)Oc1ccc(cc1Cl)I 34a_100012360047_100012180447 [0,2,0,0,0,0|0,1,0]=3 17505 B13R1.2679 CC(CO)Oc1ccc(cc1Cl)I 7a_100012360047_100012180447 [0,2,0,0,0,0|0,1,0]=3 17506 B13R1.2679 CC(CO)Oc1ccc(cc1Cl)N 34a_100000744943_100012180447 [0,2,0,0,0,0|1,0,0]=3 17507 B13R1.2679 CC(CO)Oc1ccc(cc1Cl)N 7a_100000744943_100012180447 [0,2,0,0,0,0|1,0,0]=3 17508 B13R1.2679 CC(CO)Oc1ccc(cc1F)Br 34a_100000185481_100012180447 [0,2,0,0,0,0|0,1,0]=3 17509 B13R1.2679 CC(CO)Oc1ccc(cc1F)Br 7a_100000185481_100012180447 [0,2,0,0,0,0|0,1,0]=3 17510 B13R1.2679 CC(CO)Oc1ccc(cc1F)Cl 34a_100000230166_100012180447 [0,2,0,0,0,0|0,0,0]=2 17511 B13R1.2679 CC(CO)Oc1ccc(cc1F)Cl 7a_100000230166_100012180447 [0,2,0,0,0,0|0,0,0]=2 17512 B13R1.2679 CC(CO)Oc1ccc(cc1F)F 34a_100000230127_100012180447 [0,2,0,0,0,0|0,1,0]=3 17513 B13R1.2679 CC(CO)Oc1ccc(cc1F)F 7a_100000230127_100012180447 [0,2,0,0,0,0|0,1,0]=3 17514 B13R1.2679 CC(CO)Oc1ccc(cc1F)I 34a_100011356965_100012180447 [0,2,0,0,0,0|0,1,0]=3 17515 B13R1.2679 CC(CO)Oc1ccc(cc1F)I 7a_100011356965_100012180447 [0,2,0,0,0,0|0,1,0]=3 17516 B13R1.2679 CC(CO)Oc1ccc(cc1F)N 34a_100011220035_100012180447 [0,2,0,0,0,0|1,0,0]=3 17517 B13R1.2679 CC(CO)Oc1ccc(cc1F)N 7a_100011220035_100012180447 [0,2,0,0,0,0|1,0,0]=3 17518 B13R1.2679 CC(CO)Oc1ccc(cc1I)Br 34a_100012355227_100012180447 [0,2,0,0,0,0|0,1,0]=3 17519 B13R1.2679 CC(CO)Oc1ccc(cc1I)Br 7a_100012355227_100012180447 [0,2,0,0,0,0|0,1,0]=3 17520 B13R1.2679 CC(CO)Oc1ccc(cc1I)Cl 34a_100011356953_100012180447 [0,2,0,0,0,0|0,0,0]=2 17521 B13R1.2679 CC(CO)Oc1ccc(cc1I)Cl 7a_100011356953_100012180447 [0,2,0,0,0,0|0,0,0]=2 17522 B13R1.2679 CC(CO)Oc1ccc(cc1I)F 34a_100012355409_100012180447 [0,2,0,0,0,0|0,1,0]=3 17523 B13R1.2679 CC(CO)Oc1ccc(cc1I)F 7a_100012355409_100012180447 [0,2,0,0,0,0|0,1,0]=3 17524 B13R1.2679 CC(CO)Oc1ccc(cc1I)I 7a_100010001573_100012180447 [0,2,0,0,0,0|0,1,0]=3 17525 B13R1.2679 CC(CO)Oc1ccc(cc1N)Br 34a_100000752626_100012180447 [0,2,0,0,0,0|0,1,0]=3 17526 B13R1.2679 CC(CO)Oc1ccc(cc1N)Br 7a_100000752626_100012180447 [0,2,0,0,0,0|0,1,0]=3 17527 B13R1.2679 CC(CO)Oc1ccc(cc1N)Cl 34a_100000210500_100012180447 [0,2,0,0,0,0|0,0,0]=2 17528 B13R1.2679 CC(CO)Oc1ccc(cc1N)Cl 7a_100000210500_100012180447 [0,2,0,0,0,0|0,0,0]=2 17529 B13R1.2679 CC(CO)Oc1ccc(cc1N)F 34a_100000759472_100012180447 [0,2,0,0,0,0|0,1,0]=3 17530 B13R1.2679 CC(CO)Oc1ccc(cc1N)F 7a_100000759472_100012180447 [0,2,0,0,0,0|0,1,0]=3 17531 B13R1.2679 CC(CO)Oc1ccc(cc1N)I 34a_100000753495_100012180447 [0,2,0,0,0,0|0,1,0]=3 17532 B13R1.2679 CC(CO)Oc1ccc(cc1N)I 7a_100000753495_100012180447 [0,2,0,0,0,0|0,1,0]=3 17533 B13R1.2679 CC(CO)Oc1ccc(cc1N)N 34a_100000725306_100012180447 [0,2,0,0,0,0|1,0,0]=3 17534 B13R1.2679 CC(CO)Oc1ccc(nc1Br)Br 34a_100009999766_100012180447 [0,2,0,0,0,0|1,1,0]=4 17535 B13R1.2679 CC(CO)Oc1ccc(nc1Br)Br 7a_100009999766_100012180447 [0,2,0,0,0,0|1,1,0]=4 17536 B13R1.2679 CC(CO)Oc1ccc(nc1Br)Cl 34a_100010219353_100012180447 [0,2,0,0,0,0|1,0,0]=3 17537 B13R1.2679 CC(CO)Oc1ccc(nc1Br)Cl 7a_100010219353_100012180447 [0,2,0,0,0,0|1,0,0]=3 17538 B13R1.2679 CC(CO)Oc1ccc(nc1Br)F 34a_100009887730_100012180447 [0,2,0,0,0,0|1,1,0]=4 17539 B13R1.2679 CC(CO)Oc1ccc(nc1Br)F 7a_100009887730_100012180447 [0,2,0,0,0,0|1,1,0]=4 17540 B13R1.2679 CC(CO)Oc1ccc(nc1Br)I 34a_100000725334_100012180447 [0,2,0,0,0,0|1,1,0]=4 17541 B13R1.2679 CC(CO)Oc1ccc(nc1Br)I 7a_100000725334_100012180447 [0,2,0,0,0,0|1,1,0]=4 17542 B13R1.2679 CC(CO)Oc1ccc(nc1Cl)Br 34a_100010246206_100012180447 [0,2,0,0,0,0|1,1,0]=4 17543 B13R1.2679 CC(CO)Oc1ccc(nc1Cl)Br 7a_100010246206_100012180447 [0,2,0,0,0,0|1,1,0]=4 17544 B13R1.2679 CC(CO)Oc1ccc(nc1Cl)Cl 34a_100000101165_100012180447 [0,2,0,0,0,0|1,0,0]=3 17545 B13R1.2679 CC(CO)Oc1ccc(nc1Cl)Cl 7a_100000101165_100012180447 [0,2,0,0,0,0|1,0,0]=3 17546 B13R1.2679 CC(CO)Oc1ccc(nc1Cl)I 34a_100000721234_100012180447 [0,2,0,0,0,0|1,1,0]=4 17547 B13R1.2679 CC(CO)Oc1ccc(nc1Cl)I 7a_100000721234_100012180447 [0,2,0,0,0,0|1,1,0]=4 17548 B13R1.2679 CC(CO)Oc1ccc(nc1F)Br 34a_100009819667_100012180447 [0,2,0,0,0,0|1,1,0]=4 17549 B13R1.2679 CC(CO)Oc1ccc(nc1F)Br 7a_100009819667_100012180447 [0,2,0,0,0,0|1,1,0]=4 17550 B13R1.2679 CC(CO)Oc1ccc(nc1F)Cl 34a_100009880201_100012180447 [0,2,0,0,0,0|1,0,0]=3 17551 B13R1.2679 CC(CO)Oc1ccc(nc1F)Cl 7a_100009880201_100012180447 [0,2,0,0,0,0|1,0,0]=3 17552 B13R1.2679 CC(CO)Oc1ccc(nc1F)F 34a_100000101184_100012180447 [0,2,0,0,0,0|1,1,0]=4 17553 B13R1.2679 CC(CO)Oc1ccc(nc1F)F 7a_100000101184_100012180447 [0,2,0,0,0,0|1,1,0]=4 17554 B13R1.2679 CC(CO)Oc1ccc(nc1I)Br 34a_100010253912_100012180447 [0,2,0,0,0,0|1,1,0]=4 17555 B13R1.2679 CC(CO)Oc1ccc(nc1I)Br 7a_100010253912_100012180447 [0,2,0,0,0,0|1,1,0]=4 17556 B13R1.2679 CC(CO)Oc1ccc(nc1I)Cl 34a_100000696390_100012180447 [0,2,0,0,0,0|1,0,0]=3 17557 B13R1.2679 CC(CO)Oc1ccc(nc1I)Cl 7a_100000696390_100012180447 [0,2,0,0,0,0|1,0,0]=3 17558 B13R1.2679 CC(CO)Oc1ccc(nc1I)F 34a_100010382442_100012180447 [0,2,0,0,0,0|1,1,0]=4 17559 B13R1.2679 CC(CO)Oc1ccc(nc1I)F 7a_100010382442_100012180447 [0,2,0,0,0,0|1,1,0]=4 17560 B13R1.2679 CC(CO)Oc1ccc(nc1N)Br 34a_100000685527_100012180447 [0,2,0,0,0,0|1,1,0]=4 17561 B13R1.2679 CC(CO)Oc1ccc(nc1N)Br 7a_100000685527_100012180447 [0,2,0,0,0,0|1,1,0]=4 17562 B13R1.2679 CC(CO)Oc1ccc(nc1N)Cl 34a_100000717809_100012180447 [0,2,0,0,0,0|1,0,0]=3 17563 B13R1.2679 CC(CO)Oc1ccc(nc1N)Cl 7a_100000717809_100012180447 [0,2,0,0,0,0|1,0,0]=3 17564 B13R1.2679 CC(CO)Oc1cnc(cc1Cl)Cl 34a_100009868576_100012180447 [0,2,0,0,0,0|1,0,0]=3 17565 B13R1.2679 CC(CO)Oc1cnc(cc1Cl)Cl 7a_100009868576_100012180447 [0,2,0,0,0,0|1,0,0]=3 17566 B13R1.2679 CC(CO)Oc1cnc(cc1F)F 34a_100009885687_100012180447 [0,2,0,0,0,0|1,1,0]=4 17567 B13R1.2679 CC(CO)Oc1cnc(cc1F)F 7a_100009885687_100012180447 [0,2,0,0,0,0|1,1,0]=4 17568 B13R1.2679 CC(CO)Oc1cnc(cc1I)Cl 34a_100000698892_100012180447 [0,2,0,0,0,0|1,0,0]=3 17569 B13R1.2679 CC(CO)Oc1cnc(cc1I)Cl 7a_100000698892_100012180447 [0,2,0,0,0,0|1,0,0]=3 17570 B13R1.2679 CC(CO)Oc1cnc(cc1N)Br 34a_100009819941_100012180447 [0,2,0,0,0,0|1,1,0]=4 17571 B13R1.2679 CC(CO)Oc1cnc(cc1N)Br 7a_100009819941_100012180447 [0,2,0,0,0,0|1,1,0]=4 17572 B13R1.2679 CC(CO)Oc1cnc(nc1Cl)Cl 34a_100010725077_100012180447 [0,2,0,0,0,0|2,0,0]=4 17573 B13R1.2679 CC(CO)Oc1cnc(nc1Cl)Cl 7a_100010725077_100012180447 [0,2,0,0,0,0|2,0,0]=4 17574 B13R1.2679 CC(CO)Oc1ncc(cc1Br)Br 34a_100000701035_100012180447 [0,2,0,0,0,0|1,1,0]=4 17575 B13R1.2679 CC(CO)Oc1ncc(cc1Cl)Br 34a_100012339560_100012180447 [0,2,0,0,0,0|1,1,0]=4 17576 B13R1.2679 CC(CO)Oc1ncc(cc1Cl)F 34a_100009847679_100012180447 [0,2,0,0,0,0|1,1,0]=4 17577 B13R1.2679 CC(CO)Oc1ncc(cc1F)Cl 34a_100011998252_100012180447 [0,2,0,0,0,0|1,0,0]=3 17578 B13R1.2679 CC(CO)Oc1ncc(cc1F)F 34a_100012025737_100012180447 [0,2,0,0,0,0|1,1,0]=4 17579 B13R1.2679 CC(CO)Oc1ncc(cc1N)Br 34a_100000743729_100012180447 [0,2,0,0,0,0|1,1,0]=4 17580 B13R1.2679 CC(CO)Oc1ncc(cc1N)Cl 34a_100011998249_100012180447 [0,2,0,0,0,0|1,0,0]=3 17581 B13R1.2679 CC(CO)Sc1ccc(cc1Br)Br 62a_100012180447_100011484698 [0,2,0,0,0,0|0,2,0]=4 17582 B13R1.2679 CC(CO)Sc1ccc(cc1Br)Cl 62a_100012180447_100011219703 [0,2,0,0,0,0|0,1,0]=3 17583 B13R1.2679 CC(CO)Sc1ccc(cc1Br)F 62a_100012180447_100011217111 [0,2,0,0,0,0|0,2,0]=4 17584 B13R1.2679 CC(CO)Sc1ccc(cc1Br)N 62a_100012180447_100000750458 [0,2,0,0,0,0|1,1,0]=4 17585 B13R1.2679 CC(CO)Sc1ccc(cc1Br)O 62a_100012180447_100000701344 [0,2,0,0,0,0|1,1,0]=4 17586 B13R1.2679 CC(CO)Sc1ccc(cc1Cl)Br 62a_100012180447_100011216062 [0,2,0,0,0,0|0,2,0]=4 17587 B13R1.2679 CC(CO)Sc1ccc(cc1Cl)Cl 62a_100012180447_100000699841 [0,2,0,0,0,0|0,1,0]=3 17588 B13R1.2679 CC(CO)Sc1ccc(cc1Cl)F 62a_100012180447_100000733362 [0,2,0,0,0,0|0,2,0]=4 17589 B13R1.2679 CC(CO)Sc1ccc(cc1Cl)N 62a_100012180447_100000761885 [0,2,0,0,0,0|1,1,0]=4 17590 B13R1.2679 CC(CO)Sc1ccc(cc1Cl)O 62a_100012180447_100000047559 [0,2,0,0,0,0|1,1,0]=4 17591 B13R1.2679 CC(CO)Sc1ccc(cc1F)Br 62a_100012180447_100009814013 [0,2,0,0,0,0|0,2,0]=4 17592 B13R1.2679 CC(CO)Sc1ccc(cc1F)Cl 62a_100012180447_100011216042 [0,2,0,0,0,0|0,1,0]=3 17593 B13R1.2679 CC(CO)Sc1ccc(cc1F)F 62a_100012180447_100000750030 [0,2,0,0,0,0|0,2,0]=4 17594 B13R1.2679 CC(CO)Sc1ccc(cc1F)N 62a_100012180447_100011356925 [0,2,0,0,0,0|1,1,0]=4 17595 B13R1.2679 CC(CO)Sc1ccc(cc1F)O 62a_100012180447_100000755031 [0,2,0,0,0,0|1,1,0]=4 17596 B13R1.2679 CC(CO)Sc1ccc(cc1N)Br 62a_100012180447_100000743836 [0,2,0,0,0,0|0,2,0]=4 17597 B13R1.2679 CC(CO)Sc1ccc(cc1N)Cl 62a_100012180447_100000761886 [0,2,0,0,0,0|0,1,0]=3 17598 B13R1.2679 CC(CO)Sc1ccc(cc1N)F 62a_100012180447_100000687223 [0,2,0,0,0,0|0,2,0]=4 17599 B13R1.2679 CC(CO)Sc1ccc(cc1N)N 62a_100012180447_200012175722 [0,2,0,0,0,0|1,1,0]=4 17600 B13R1.2679 CC(CO)Sc1ccc(cc1N)O 62a_100012180447_100011999798 [0,2,0,0,0,0|1,1,0]=4 17601 B13R1.2679 CC(CO)Sc1ccc(cc1O)Br 62a_100012180447_100012344904 [0,2,0,0,0,0|0,2,0]=4 17602 B13R1.2679 CC(CO)Sc1ccc(cc1O)Cl 62a_100012180447_100000050036 [0,2,0,0,0,0|0,1,0]=3 17603 B13R1.2679 CC(CO)Sc1ccc(cc1O)F 62a_100012180447_100000690578 [0,2,0,0,0,0|0,2,0]=4 17604 B13R1.2679 CC(CO)Sc1ccc(cc1O)O 62a_100012180447_100009813921 [0,2,0,0,0,0|1,1,0]=4 17605 B13R1.2679 CC(CO)Sc1ccc(nc1Cl)Cl 62a_100012180447_100000043682 [0,2,0,0,0,0|1,1,0]=4 17606 B13R1.2679 CC(CO)Sc1ccc(nc1F)Cl 62a_100012180447_100010168078 [0,2,0,0,0,0|1,1,0]=4 17607 B13R1.2679 CC(CO)Sc1ccc(nc1N)Cl 62a_100012180447_100010171640 [0,2,0,0,0,0|1,1,0]=4 17608 B13R1.2679 CC(CO)Sc1cnc(cc1Cl)Cl 62a_100012180447_100010200927 [0,2,0,0,0,0|1,1,0]=4 17609 B13R1.2679 CC(CO)Sc1cnc(cc1F)Cl 62a_100012180447_100010128100 [0,2,0,0,0,0|1,1,0]=4 17610 B13R1.2679 CC(CO)Sc1cnc(cc1N)Cl 62a_100012180447_100010209552 [0,2,0,0,0,0|1,1,0]=4 17611 B13R1.2679 CC(CO)Sc1ncc(cc1Br)Cl 62a_100012180447_100012154958 [0,2,0,0,0,0|1,1,0]=4 17612 B13R1.2679 CC(CO)Sc1ncc(cc1F)Cl 62a_100012180447_100012348686 [0,2,0,0,0,0|1,1,0]=4 17613 B13R1.2679 CC(CO)Sc1ncc(cc1O)Cl 62a_100012180447_100010233512 [0,2,0,0,0,0|1,1,0]=4 17614 B13R1.2679 CCC(C)Nc1ccc(cc1Br)Cl 34a_100000752454_100011215416 [0,2,0,0,0,0|2,0,0]=4 17615 B13R1.2679 CCC(C)Nc1ccc(cc1C)Cl 34a_100000210418_100011215416 [0,2,0,0,0,0|2,0,0]=4 17616 B13R1.2679 CCC(C)Nc1ccc(cc1C)Cl 7a_100000210418_100000758301 [0,2,0,0,0,0|2,0,0]=4 17617 B13R1.2679 CCC(C)Nc1ccc(cc1Cl)Cl 34a_100000185861_100011215416 [0,2,0,0,0,0|2,0,0]=4 17618 B13R1.2679 CCC(C)Nc1ccc(cc1F)Cl 34a_100000211020_100011215416 [0,2,0,0,0,0|2,0,0]=4 17619 B13R1.2679 CCC(C)Nc1ccc(cc1I)Cl 34a_100000761889_100011215416 [0,2,0,0,0,0|2,0,0]=4 17620 B13R1.2679 CCC(C)Nc1ccc(cc1O)Cl 34a_100000185728_100011215416 [0,2,0,0,0,0|2,0,0]=4 17621 B13R1.2679 CCC(C)Oc1ccc(cc1Br)Br 34a_100000188717_100011215416 [0,2,0,0,0,0|1,1,0]=4 17622 B13R1.2679 CCC(C)Oc1ccc(cc1Br)Br 7a_100000188717_100000758301 [0,2,0,0,0,0|1,1,0]=4 17623 B13R1.2679 CCC(C)Oc1ccc(cc1Br)C 34a_100000210800_100011215416 [0,2,0,0,0,0|2,0,0]=4 17624 B13R1.2679 CCC(C)Oc1ccc(cc1Br)C 7a_100000210800_100000758301 [0,2,0,0,0,0|2,0,0]=4 17625 B13R1.2679 CCC(C)Oc1ccc(cc1Br)Cl 34a_100000211998_100011215416 [0,2,0,0,0,0|1,0,0]=3 17626 B13R1.2679 CCC(C)Oc1ccc(cc1Br)Cl 7a_100000211998_100000758301 [0,2,0,0,0,0|1,0,0]=3 17627 B13R1.2679 CCC(C)Oc1ccc(cc1Br)F 34a_100000211999_100011215416 [0,2,0,0,0,0|1,1,0]=4 17628 B13R1.2679 CCC(C)Oc1ccc(cc1Br)F 7a_100000211999_100000758301 [0,2,0,0,0,0|1,1,0]=4 17629 B13R1.2679 CCC(C)Oc1ccc(cc1Br)I 34a_100012361655_100011215416 [0,2,0,0,0,0|1,1,0]=4 17630 B13R1.2679 CCC(C)Oc1ccc(cc1Br)I 7a_100012361655_100000758301 [0,2,0,0,0,0|1,1,0]=4 17631 B13R1.2679 CCC(C)Oc1ccc(cc1Br)N 34a_100011534360_100011215416 [0,2,0,0,0,0|2,0,0]=4 17632 B13R1.2679 CCC(C)Oc1ccc(cc1Br)N 7a_100011534360_100000758301 [0,2,0,0,0,0|2,0,0]=4 17633 B13R1.2679 CCC(C)Oc1ccc(cc1C)Br 34a_100000186361_100011215416 [0,2,0,0,0,0|1,1,0]=4 17634 B13R1.2679 CCC(C)Oc1ccc(cc1C)Br 7a_100000186361_100000758301 [0,2,0,0,0,0|1,1,0]=4 17635 B13R1.2679 CCC(C)Oc1ccc(cc1C)C 34a_100000211776_100011215416 [0,2,0,0,0,0|2,0,0]=4 17636 B13R1.2679 CCC(C)Oc1ccc(cc1C)C 7a_100000211776_100000758301 [0,2,0,0,0,0|2,0,0]=4 17637 B13R1.2679 CCC(C)Oc1ccc(cc1C)Cl 34a_100000211091_100011215416 [0,2,0,0,0,0|1,0,0]=3 17638 B13R1.2679 CCC(C)Oc1ccc(cc1C)Cl 7a_100000211091_100000758301 [0,2,0,0,0,0|1,0,0]=3 17639 B13R1.2679 CCC(C)Oc1ccc(cc1C)F 34a_100000764316_100011215416 [0,2,0,0,0,0|1,1,0]=4 17640 B13R1.2679 CCC(C)Oc1ccc(cc1C)F 7a_100000764316_100000758301 [0,2,0,0,0,0|1,1,0]=4 17641 B13R1.2679 CCC(C)Oc1ccc(cc1C)I 34a_100011218673_100011215416 [0,2,0,0,0,0|1,1,0]=4 17642 B13R1.2679 CCC(C)Oc1ccc(cc1C)I 7a_100011218673_100000758301 [0,2,0,0,0,0|1,1,0]=4 17643 B13R1.2679 CCC(C)Oc1ccc(cc1C)N 34a_100011218179_100011215416 [0,2,0,0,0,0|2,0,0]=4 17644 B13R1.2679 CCC(C)Oc1ccc(cc1C)N 7a_100011218179_100000758301 [0,2,0,0,0,0|2,0,0]=4 17645 B13R1.2679 CCC(C)Oc1ccc(cc1Cl)Br 34a_100000186472_100011215416 [0,2,0,0,0,0|1,1,0]=4 17646 B13R1.2679 CCC(C)Oc1ccc(cc1Cl)Br 7a_100000186472_100000758301 [0,2,0,0,0,0|1,1,0]=4 17647 B13R1.2679 CCC(C)Oc1ccc(cc1Cl)C 34a_100000749699_100011215416 [0,2,0,0,0,0|2,0,0]=4 17648 B13R1.2679 CCC(C)Oc1ccc(cc1Cl)C 7a_100000749699_100000758301 [0,2,0,0,0,0|2,0,0]=4 17649 B13R1.2679 CCC(C)Oc1ccc(cc1Cl)Cl 34a_100015191787_100011215416 [0,2,0,0,0,0|1,0,0]=3 17650 B13R1.2679 CCC(C)Oc1ccc(cc1Cl)Cl 7a_100015191787_100000758301 [0,2,0,0,0,0|1,0,0]=3 17651 B13R1.2679 CCC(C)Oc1ccc(cc1Cl)F 34a_100000212004_100011215416 [0,2,0,0,0,0|1,1,0]=4 17652 B13R1.2679 CCC(C)Oc1ccc(cc1Cl)F 7a_100000212004_100000758301 [0,2,0,0,0,0|1,1,0]=4 17653 B13R1.2679 CCC(C)Oc1ccc(cc1Cl)I 34a_100012360047_100011215416 [0,2,0,0,0,0|1,1,0]=4 17654 B13R1.2679 CCC(C)Oc1ccc(cc1Cl)I 7a_100012360047_100000758301 [0,2,0,0,0,0|1,1,0]=4 17655 B13R1.2679 CCC(C)Oc1ccc(cc1Cl)N 34a_100000744943_100011215416 [0,2,0,0,0,0|2,0,0]=4 17656 B13R1.2679 CCC(C)Oc1ccc(cc1Cl)N 7a_100000744943_100000758301 [0,2,0,0,0,0|2,0,0]=4 17657 B13R1.2679 CCC(C)Oc1ccc(cc1F)Br 34a_100000185481_100011215416 [0,2,0,0,0,0|1,1,0]=4 17658 B13R1.2679 CCC(C)Oc1ccc(cc1F)Br 7a_100000185481_100000758301 [0,2,0,0,0,0|1,1,0]=4 17659 B13R1.2679 CCC(C)Oc1ccc(cc1F)C 34a_100011216688_100011215416 [0,2,0,0,0,0|2,0,0]=4 17660 B13R1.2679 CCC(C)Oc1ccc(cc1F)C 7a_100011216688_100000758301 [0,2,0,0,0,0|2,0,0]=4 17661 B13R1.2679 CCC(C)Oc1ccc(cc1F)Cl 34a_100000230166_100011215416 [0,2,0,0,0,0|1,0,0]=3 17662 B13R1.2679 CCC(C)Oc1ccc(cc1F)Cl 7a_100000230166_100000758301 [0,2,0,0,0,0|1,0,0]=3 17663 B13R1.2679 CCC(C)Oc1ccc(cc1F)F 34a_100000230127_100011215416 [0,2,0,0,0,0|1,1,0]=4 17664 B13R1.2679 CCC(C)Oc1ccc(cc1F)F 7a_100000230127_100000758301 [0,2,0,0,0,0|1,1,0]=4 17665 B13R1.2679 CCC(C)Oc1ccc(cc1F)I 34a_100011356965_100011215416 [0,2,0,0,0,0|1,1,0]=4 17666 B13R1.2679 CCC(C)Oc1ccc(cc1F)I 7a_100011356965_100000758301 [0,2,0,0,0,0|1,1,0]=4 17667 B13R1.2679 CCC(C)Oc1ccc(cc1F)N 34a_100011220035_100011215416 [0,2,0,0,0,0|2,0,0]=4 17668 B13R1.2679 CCC(C)Oc1ccc(cc1F)N 7a_100011220035_100000758301 [0,2,0,0,0,0|2,0,0]=4 17669 B13R1.2679 CCC(C)Oc1ccc(cc1I)Br 34a_100012355227_100011215416 [0,2,0,0,0,0|1,1,0]=4 17670 B13R1.2679 CCC(C)Oc1ccc(cc1I)Br 7a_100012355227_100000758301 [0,2,0,0,0,0|1,1,0]=4 17671 B13R1.2679 CCC(C)Oc1ccc(cc1I)C 34a_100000765521_100011215416 [0,2,0,0,0,0|2,0,0]=4 17672 B13R1.2679 CCC(C)Oc1ccc(cc1I)C 7a_100000765521_100000758301 [0,2,0,0,0,0|2,0,0]=4 17673 B13R1.2679 CCC(C)Oc1ccc(cc1I)Cl 34a_100011356953_100011215416 [0,2,0,0,0,0|1,0,0]=3 17674 B13R1.2679 CCC(C)Oc1ccc(cc1I)Cl 7a_100011356953_100000758301 [0,2,0,0,0,0|1,0,0]=3 17675 B13R1.2679 CCC(C)Oc1ccc(cc1I)F 34a_100012355409_100011215416 [0,2,0,0,0,0|1,1,0]=4 17676 B13R1.2679 CCC(C)Oc1ccc(cc1I)F 7a_100012355409_100000758301 [0,2,0,0,0,0|1,1,0]=4 17677 B13R1.2679 CCC(C)Oc1ccc(cc1I)I 7a_100010001573_100000758301 [0,2,0,0,0,0|1,1,0]=4 17678 B13R1.2679 CCC(C)Oc1ccc(cc1N)Br 34a_100000752626_100011215416 [0,2,0,0,0,0|1,1,0]=4 17679 B13R1.2679 CCC(C)Oc1ccc(cc1N)Br 7a_100000752626_100000758301 [0,2,0,0,0,0|1,1,0]=4 17680 B13R1.2679 CCC(C)Oc1ccc(cc1N)C 34a_100011215204_100011215416 [0,2,0,0,0,0|2,0,0]=4 17681 B13R1.2679 CCC(C)Oc1ccc(cc1N)C 7a_100011215204_100000758301 [0,2,0,0,0,0|2,0,0]=4 17682 B13R1.2679 CCC(C)Oc1ccc(cc1N)Cl 34a_100000210500_100011215416 [0,2,0,0,0,0|1,0,0]=3 17683 B13R1.2679 CCC(C)Oc1ccc(cc1N)Cl 7a_100000210500_100000758301 [0,2,0,0,0,0|1,0,0]=3 17684 B13R1.2679 CCC(C)Oc1ccc(cc1N)F 34a_100000759472_100011215416 [0,2,0,0,0,0|1,1,0]=4 17685 B13R1.2679 CCC(C)Oc1ccc(cc1N)F 7a_100000759472_100000758301 [0,2,0,0,0,0|1,1,0]=4 17686 B13R1.2679 CCC(C)Oc1ccc(cc1N)I 34a_100000753495_100011215416 [0,2,0,0,0,0|1,1,0]=4 17687 B13R1.2679 CCC(C)Oc1ccc(cc1N)I 7a_100000753495_100000758301 [0,2,0,0,0,0|1,1,0]=4 17688 B13R1.2679 CCC(C)Oc1ccc(cc1N)N 34a_100000725306_100011215416 [0,2,0,0,0,0|2,0,0]=4 17689 B13R1.2679 CCC(C)Oc1ccc(nc1Br)Cl 34a_100010219353_100011215416 [0,2,0,0,0,0|2,0,0]=4 17690 B13R1.2679 CCC(C)Oc1ccc(nc1Br)Cl 7a_100010219353_100000758301 [0,2,0,0,0,0|2,0,0]=4 17691 B13R1.2679 CCC(C)Oc1ccc(nc1C)Cl 34a_100012184626_100011215416 [0,2,0,0,0,0|2,0,0]=4 17692 B13R1.2679 CCC(C)Oc1ccc(nc1C)Cl 7a_100012184626_100000758301 [0,2,0,0,0,0|2,0,0]=4 17693 B13R1.2679 CCC(C)Oc1ccc(nc1Cl)Cl 34a_100000101165_100011215416 [0,2,0,0,0,0|2,0,0]=4 17694 B13R1.2679 CCC(C)Oc1ccc(nc1Cl)Cl 7a_100000101165_100000758301 [0,2,0,0,0,0|2,0,0]=4 17695 B13R1.2679 CCC(C)Oc1ccc(nc1F)Cl 34a_100009880201_100011215416 [0,2,0,0,0,0|2,0,0]=4 17696 B13R1.2679 CCC(C)Oc1ccc(nc1F)Cl 7a_100009880201_100000758301 [0,2,0,0,0,0|2,0,0]=4 17697 B13R1.2679 CCC(C)Oc1ccc(nc1I)Cl 34a_100000696390_100011215416 [0,2,0,0,0,0|2,0,0]=4 17698 B13R1.2679 CCC(C)Oc1ccc(nc1I)Cl 7a_100000696390_100000758301 [0,2,0,0,0,0|2,0,0]=4 17699 B13R1.2679 CCC(C)Oc1ccc(nc1N)Cl 34a_100000717809_100011215416 [0,2,0,0,0,0|2,0,0]=4 17700 B13R1.2679 CCC(C)Oc1ccc(nc1N)Cl 7a_100000717809_100000758301 [0,2,0,0,0,0|2,0,0]=4 17701 B13R1.2679 CCC(C)Oc1cnc(cc1C)Cl 34a_100000692680_100011215416 [0,2,0,0,0,0|2,0,0]=4 17702 B13R1.2679 CCC(C)Oc1cnc(cc1C)Cl 7a_100000692680_100000758301 [0,2,0,0,0,0|2,0,0]=4 17703 B13R1.2679 CCC(C)Oc1cnc(cc1Cl)Cl 34a_100009868576_100011215416 [0,2,0,0,0,0|2,0,0]=4 17704 B13R1.2679 CCC(C)Oc1cnc(cc1Cl)Cl 7a_100009868576_100000758301 [0,2,0,0,0,0|2,0,0]=4 17705 B13R1.2679 CCC(C)Oc1cnc(cc1I)Cl 34a_100000698892_100011215416 [0,2,0,0,0,0|2,0,0]=4 17706 B13R1.2679 CCC(C)Oc1cnc(cc1I)Cl 7a_100000698892_100000758301 [0,2,0,0,0,0|2,0,0]=4 17707 B13R1.2679 CCC(C)Oc1ncc(cc1F)Cl 34a_100011998252_100011215416 [0,2,0,0,0,0|2,0,0]=4 17708 B13R1.2679 CCC(C)Oc1ncc(cc1N)Cl 34a_100011998249_100011215416 [0,2,0,0,0,0|2,0,0]=4 17709 B13R1.2679 CCC(C)Sc1ccc(cc1Br)Cl 62a_100000758301_100011219703 [0,2,0,0,0,0|1,1,0]=4 17710 B13R1.2679 CCC(C)Sc1ccc(cc1Br)Cl 62a_100011219703_100000758301 [0,2,0,0,0,0|1,1,0]=4 17711 B13R1.2679 CCC(C)Sc1ccc(cc1C)Cl 62a_100000758301_100011219607 [0,2,0,0,0,0|1,1,0]=4 17712 B13R1.2679 CCC(C)Sc1ccc(cc1C)Cl 62a_100011219607_100000758301 [0,2,0,0,0,0|1,1,0]=4 17713 B13R1.2679 CCC(C)Sc1ccc(cc1Cl)Cl 62a_100000699841_100000758301 [0,2,0,0,0,0|1,1,0]=4 17714 B13R1.2679 CCC(C)Sc1ccc(cc1Cl)Cl 62a_100000758301_100000699841 [0,2,0,0,0,0|1,1,0]=4 17715 B13R1.2679 CCC(C)Sc1ccc(cc1F)Cl 62a_100000758301_100011216042 [0,2,0,0,0,0|1,1,0]=4 17716 B13R1.2679 CCC(C)Sc1ccc(cc1F)Cl 62a_100011216042_100000758301 [0,2,0,0,0,0|1,1,0]=4 17717 B13R1.2679 CCC(C)Sc1ccc(cc1N)Cl 62a_100000758301_100000761886 [0,2,0,0,0,0|1,1,0]=4 17718 B13R1.2679 CCC(C)Sc1ccc(cc1N)Cl 62a_100000761886_100000758301 [0,2,0,0,0,0|1,1,0]=4 17719 B13R1.2679 CCC(C)Sc1ccc(cc1O)Cl 62a_100000050036_100000758301 [0,2,0,0,0,0|1,1,0]=4 17720 B13R1.2679 CCC(C)Sc1ccc(cc1O)Cl 62a_100000758301_100000050036 [0,2,0,0,0,0|1,1,0]=4 17721 B13R1.2679 C[C@H](CO)Sc1ccc(cc1Br)Br 62a_100011484698_100016084084 [0,2,0,0,0,0|0,2,0]=4 17722 B13R1.2679 C[C@H](CO)Sc1ccc(cc1Br)Br 62a_100016084084_100011484698 [0,2,0,0,0,0|0,2,0]=4 17723 B13R1.2679 C[C@H](CO)Sc1ccc(cc1Br)Cl 62a_100011219703_100016084084 [0,2,0,0,0,0|0,1,0]=3 17724 B13R1.2679 C[C@H](CO)Sc1ccc(cc1Br)Cl 62a_100016084084_100011219703 [0,2,0,0,0,0|0,1,0]=3 17725 B13R1.2679 C[C@H](CO)Sc1ccc(cc1Br)F 62a_100011217111_100016084084 [0,2,0,0,0,0|0,2,0]=4 17726 B13R1.2679 C[C@H](CO)Sc1ccc(cc1Br)F 62a_100016084084_100011217111 [0,2,0,0,0,0|0,2,0]=4 17727 B13R1.2679 C[C@H](CO)Sc1ccc(cc1Br)N 62a_100000750458_100016084084 [0,2,0,0,0,0|1,1,0]=4 17728 B13R1.2679 C[C@H](CO)Sc1ccc(cc1Br)N 62a_100016084084_100000750458 [0,2,0,0,0,0|1,1,0]=4 17729 B13R1.2679 C[C@H](CO)Sc1ccc(cc1Br)O 62a_100000701344_100016084084 [0,2,0,0,0,0|1,1,0]=4 17730 B13R1.2679 C[C@H](CO)Sc1ccc(cc1Br)O 62a_100016084084_100000701344 [0,2,0,0,0,0|1,1,0]=4 17731 B13R1.2679 C[C@H](CO)Sc1ccc(cc1Cl)Br 62a_100011216062_100016084084 [0,2,0,0,0,0|0,2,0]=4 17732 B13R1.2679 C[C@H](CO)Sc1ccc(cc1Cl)Br 62a_100016084084_100011216062 [0,2,0,0,0,0|0,2,0]=4 17733 B13R1.2679 C[C@H](CO)Sc1ccc(cc1Cl)Cl 62a_100000699841_100016084084 [0,2,0,0,0,0|0,1,0]=3 17734 B13R1.2679 C[C@H](CO)Sc1ccc(cc1Cl)Cl 62a_100016084084_100000699841 [0,2,0,0,0,0|0,1,0]=3 17735 B13R1.2679 C[C@H](CO)Sc1ccc(cc1Cl)F 62a_100000733362_100016084084 [0,2,0,0,0,0|0,2,0]=4 17736 B13R1.2679 C[C@H](CO)Sc1ccc(cc1Cl)F 62a_100016084084_100000733362 [0,2,0,0,0,0|0,2,0]=4 17737 B13R1.2679 C[C@H](CO)Sc1ccc(cc1Cl)N 62a_100000761885_100016084084 [0,2,0,0,0,0|1,1,0]=4 17738 B13R1.2679 C[C@H](CO)Sc1ccc(cc1Cl)N 62a_100016084084_100000761885 [0,2,0,0,0,0|1,1,0]=4 17739 B13R1.2679 C[C@H](CO)Sc1ccc(cc1Cl)O 62a_100000047559_100016084084 [0,2,0,0,0,0|1,1,0]=4 17740 B13R1.2679 C[C@H](CO)Sc1ccc(cc1Cl)O 62a_100016084084_100000047559 [0,2,0,0,0,0|1,1,0]=4 17741 B13R1.2679 C[C@H](CO)Sc1ccc(cc1F)Br 62a_100009814013_100016084084 [0,2,0,0,0,0|0,2,0]=4 17742 B13R1.2679 C[C@H](CO)Sc1ccc(cc1F)Br 62a_100016084084_100009814013 [0,2,0,0,0,0|0,2,0]=4 17743 B13R1.2679 C[C@H](CO)Sc1ccc(cc1F)Cl 62a_100011216042_100016084084 [0,2,0,0,0,0|0,1,0]=3 17744 B13R1.2679 C[C@H](CO)Sc1ccc(cc1F)Cl 62a_100016084084_100011216042 [0,2,0,0,0,0|0,1,0]=3 17745 B13R1.2679 C[C@H](CO)Sc1ccc(cc1F)F 62a_100000750030_100016084084 [0,2,0,0,0,0|0,2,0]=4 17746 B13R1.2679 C[C@H](CO)Sc1ccc(cc1F)F 62a_100016084084_100000750030 [0,2,0,0,0,0|0,2,0]=4 17747 B13R1.2679 C[C@H](CO)Sc1ccc(cc1F)N 62a_100011356925_100016084084 [0,2,0,0,0,0|1,1,0]=4 17748 B13R1.2679 C[C@H](CO)Sc1ccc(cc1F)N 62a_100016084084_100011356925 [0,2,0,0,0,0|1,1,0]=4 17749 B13R1.2679 C[C@H](CO)Sc1ccc(cc1F)O 62a_100000755031_100016084084 [0,2,0,0,0,0|1,1,0]=4 17750 B13R1.2679 C[C@H](CO)Sc1ccc(cc1F)O 62a_100016084084_100000755031 [0,2,0,0,0,0|1,1,0]=4 17751 B13R1.2679 C[C@H](CO)Sc1ccc(cc1N)Br 62a_100000743836_100016084084 [0,2,0,0,0,0|0,2,0]=4 17752 B13R1.2679 C[C@H](CO)Sc1ccc(cc1N)Br 62a_100016084084_100000743836 [0,2,0,0,0,0|0,2,0]=4 17753 B13R1.2679 C[C@H](CO)Sc1ccc(cc1N)Cl 62a_100000761886_100016084084 [0,2,0,0,0,0|0,1,0]=3 17754 B13R1.2679 C[C@H](CO)Sc1ccc(cc1N)Cl 62a_100016084084_100000761886 [0,2,0,0,0,0|0,1,0]=3 17755 B13R1.2679 C[C@H](CO)Sc1ccc(cc1N)F 62a_100000687223_100016084084 [0,2,0,0,0,0|0,2,0]=4 17756 B13R1.2679 C[C@H](CO)Sc1ccc(cc1N)F 62a_100016084084_100000687223 [0,2,0,0,0,0|0,2,0]=4 17757 B13R1.2679 C[C@H](CO)Sc1ccc(cc1N)N 62a_100016084084_200012175722 [0,2,0,0,0,0|1,1,0]=4 17758 B13R1.2679 C[C@H](CO)Sc1ccc(cc1N)N 62a_200012175722_100016084084 [0,2,0,0,0,0|1,1,0]=4 17759 B13R1.2679 C[C@H](CO)Sc1ccc(cc1N)O 62a_100011999798_100016084084 [0,2,0,0,0,0|1,1,0]=4 17760 B13R1.2679 C[C@H](CO)Sc1ccc(cc1N)O 62a_100016084084_100011999798 [0,2,0,0,0,0|1,1,0]=4 17761 B13R1.2679 C[C@H](CO)Sc1ccc(cc1O)Br 62a_100012344904_100016084084 [0,2,0,0,0,0|0,2,0]=4 17762 B13R1.2679 C[C@H](CO)Sc1ccc(cc1O)Br 62a_100016084084_100012344904 [0,2,0,0,0,0|0,2,0]=4 17763 B13R1.2679 C[C@H](CO)Sc1ccc(cc1O)Cl 62a_100000050036_100016084084 [0,2,0,0,0,0|0,1,0]=3 17764 B13R1.2679 C[C@H](CO)Sc1ccc(cc1O)Cl 62a_100016084084_100000050036 [0,2,0,0,0,0|0,1,0]=3 17765 B13R1.2679 C[C@H](CO)Sc1ccc(cc1O)F 62a_100000690578_100016084084 [0,2,0,0,0,0|0,2,0]=4 17766 B13R1.2679 C[C@H](CO)Sc1ccc(cc1O)F 62a_100016084084_100000690578 [0,2,0,0,0,0|0,2,0]=4 17767 B13R1.2679 C[C@H](CO)Sc1ccc(cc1O)O 62a_100016084084_100009813921 [0,2,0,0,0,0|1,1,0]=4 17768 B13R1.2679 C[C@H](CO)Sc1ccc(nc1Cl)Cl 62a_100016084084_100000043682 [0,2,0,0,0,0|1,1,0]=4 17769 B13R1.2679 C[C@H](CO)Sc1ccc(nc1F)Cl 62a_100010168078_100016084084 [0,2,0,0,0,0|1,1,0]=4 17770 B13R1.2679 C[C@H](CO)Sc1ccc(nc1F)Cl 62a_100016084084_100010168078 [0,2,0,0,0,0|1,1,0]=4 17771 B13R1.2679 C[C@H](CO)Sc1ccc(nc1N)Cl 62a_100010171640_100016084084 [0,2,0,0,0,0|1,1,0]=4 17772 B13R1.2679 C[C@H](CO)Sc1ccc(nc1N)Cl 62a_100016084084_100010171640 [0,2,0,0,0,0|1,1,0]=4 17773 B13R1.2679 C[C@H](CO)Sc1cnc(cc1Cl)Cl 62a_100010200927_100016084084 [0,2,0,0,0,0|1,1,0]=4 17774 B13R1.2679 C[C@H](CO)Sc1cnc(cc1Cl)Cl 62a_100016084084_100010200927 [0,2,0,0,0,0|1,1,0]=4 17775 B13R1.2679 C[C@H](CO)Sc1cnc(cc1F)Cl 62a_100010128100_100016084084 [0,2,0,0,0,0|1,1,0]=4 17776 B13R1.2679 C[C@H](CO)Sc1cnc(cc1F)Cl 62a_100016084084_100010128100 [0,2,0,0,0,0|1,1,0]=4 17777 B13R1.2679 C[C@H](CO)Sc1cnc(cc1N)Cl 62a_100010209552_100016084084 [0,2,0,0,0,0|1,1,0]=4 17778 B13R1.2679 C[C@H](CO)Sc1cnc(cc1N)Cl 62a_100016084084_100010209552 [0,2,0,0,0,0|1,1,0]=4 17779 B13R1.2679 C[C@H](CO)Sc1ncc(cc1Br)Cl 62a_100012154958_100016084084 [0,2,0,0,0,0|1,1,0]=4 17780 B13R1.2679 C[C@H](CO)Sc1ncc(cc1Br)Cl 62a_100016084084_100012154958 [0,2,0,0,0,0|1,1,0]=4 17781 B13R1.2679 C[C@H](CO)Sc1ncc(cc1F)Cl 62a_100012348686_100016084084 [0,2,0,0,0,0|1,1,0]=4 17782 B13R1.2679 C[C@H](CO)Sc1ncc(cc1F)Cl 62a_100016084084_100012348686 [0,2,0,0,0,0|1,1,0]=4 17783 B13R1.2679 C[C@H](CO)Sc1ncc(cc1O)Cl 62a_100010233512_100016084084 [0,2,0,0,0,0|1,1,0]=4 17784 B13R1.2679 C[C@H](CO)Sc1ncc(cc1O)Cl 62a_100016084084_100010233512 [0,2,0,0,0,0|1,1,0]=4 17785 B13R1.2679 Cc1cc(=O)c(co1)OC(C)CO 34a_100000081520_100012180447 [0,2,0,0,0,0|2,0,0]=4 17786 B13R1.2679 Cc1cc(c(cn1)OC(C)CO)Br 34a_100009843476_100012180447 [0,2,0,0,0,0|2,0,0]=4 17787 B13R1.2679 Cc1cc(c(cn1)OC(C)CO)Br 7a_100009843476_100012180447 [0,2,0,0,0,0|2,0,0]=4 17788 B13R1.2679 Cc1cc(c(cn1)OC(C)CO)C 34a_200000068632_100012180447 [0,2,0,0,0,0|2,0,0]=4 17789 B13R1.2679 Cc1cc(c(cn1)OC(C)CO)C 7a_200000068632_100012180447 [0,2,0,0,0,0|2,0,0]=4 17790 B13R1.2679 Cc1cc(ccc1CC(=O)CO)Cl 1458a_100000210174_100012361307 [0,2,0,0,0,0|1,0,1]=4 17791 B13R1.2679 Cc1cc(ccc1NC(=O)CO)Cl 22a_100000210418_100000210174 [0,2,0,0,0,0|1,0,1]=4 17792 B13R1.2679 Cc1cc(ccc1NC(C)CO)Br 34a_100000211769_100012180447 [0,2,0,0,0,0|1,1,0]=4 17793 B13R1.2679 Cc1cc(ccc1NC(C)CO)Br 7a_100000211769_100012180447 [0,2,0,0,0,0|1,1,0]=4 17794 B13R1.2679 Cc1cc(ccc1NC(C)CO)Cl 34a_100000210418_100012180447 [0,2,0,0,0,0|1,0,0]=3 17795 B13R1.2679 Cc1cc(ccc1NC(C)CO)Cl 7a_100000210418_100012180447 [0,2,0,0,0,0|1,0,0]=3 17796 B13R1.2679 Cc1cc(ccc1NC(C)CO)F 34a_100000211637_100012180447 [0,2,0,0,0,0|1,1,0]=4 17797 B13R1.2679 Cc1cc(ccc1NC(C)CO)F 7a_100000211637_100012180447 [0,2,0,0,0,0|1,1,0]=4 17798 B13R1.2679 Cc1cc(ccc1NC(C)CO)I 34a_100000184554_100012180447 [0,2,0,0,0,0|1,1,0]=4 17799 B13R1.2679 Cc1cc(ccc1NC(C)CO)I 7a_100000184554_100012180447 [0,2,0,0,0,0|1,1,0]=4 17800 B13R1.2679 Cc1cc(ccc1NC(C)CO)O 34a_100000756630_100012180447 [0,2,0,0,0,0|2,0,0]=4 17801 B13R1.2679 Cc1cc(ccc1OC(C)C#N)Cl 7a_100000211091_100000703298 [0,2,0,0,0,0|1,0,1]=4 17802 B13R1.2679 Cc1cc(ccc1OC(C)CO)Br 34a_100000186361_100012180447 [0,2,0,0,0,0|0,1,0]=3 17803 B13R1.2679 Cc1cc(ccc1OC(C)CO)Br 7a_100000186361_100012180447 [0,2,0,0,0,0|0,1,0]=3 17804 B13R1.2679 Cc1cc(ccc1OC(C)CO)Cl 34a_100000211091_100012180447 [0,2,0,0,0,0|0,0,0]=2 17805 B13R1.2679 Cc1cc(ccc1OC(C)CO)Cl 7a_100000211091_100012180447 [0,2,0,0,0,0|0,0,0]=2 17806 B13R1.2679 Cc1cc(ccc1OC(C)CO)F 34a_100000764316_100012180447 [0,2,0,0,0,0|0,1,0]=3 17807 B13R1.2679 Cc1cc(ccc1OC(C)CO)F 7a_100000764316_100012180447 [0,2,0,0,0,0|0,1,0]=3 17808 B13R1.2679 Cc1cc(ccc1OC(C)CO)I 34a_100011218673_100012180447 [0,2,0,0,0,0|0,1,0]=3 17809 B13R1.2679 Cc1cc(ccc1OC(C)CO)I 7a_100011218673_100012180447 [0,2,0,0,0,0|0,1,0]=3 17810 B13R1.2679 Cc1cc(ccc1OC(C)CO)N 34a_100011218179_100012180447 [0,2,0,0,0,0|1,0,0]=3 17811 B13R1.2679 Cc1cc(ccc1OC(C)CO)N 7a_100011218179_100012180447 [0,2,0,0,0,0|1,0,0]=3 17812 B13R1.2679 Cc1cc(ccc1SC(C)CO)Br 62a_100012180447_100000701812 [0,2,0,0,0,0|0,2,0]=4 17813 B13R1.2679 Cc1cc(ccc1SC(C)CO)Cl 62a_100012180447_100011219607 [0,2,0,0,0,0|0,1,0]=3 17814 B13R1.2679 Cc1cc(ccc1SC(C)CO)F 62a_100012180447_100011205405 [0,2,0,0,0,0|0,2,0]=4 17815 B13R1.2679 Cc1cc(ccc1SC(C)CO)N 62a_100012180447_100000210723 [0,2,0,0,0,0|1,1,0]=4 17816 B13R1.2679 Cc1cc(ccc1SC(C)CO)O 62a_100012180447_100000690111 [0,2,0,0,0,0|1,1,0]=4 17817 B13R1.2679 Cc1cc(ccc1S[C@H](C)CO)Br 62a_100000701812_100016084084 [0,2,0,0,0,0|0,2,0]=4 17818 B13R1.2679 Cc1cc(ccc1S[C@H](C)CO)Br 62a_100016084084_100000701812 [0,2,0,0,0,0|0,2,0]=4 17819 B13R1.2679 Cc1cc(ccc1S[C@H](C)CO)Cl 62a_100011219607_100016084084 [0,2,0,0,0,0|0,1,0]=3 17820 B13R1.2679 Cc1cc(ccc1S[C@H](C)CO)Cl 62a_100016084084_100011219607 [0,2,0,0,0,0|0,1,0]=3 17821 B13R1.2679 Cc1cc(ccc1S[C@H](C)CO)F 62a_100011205405_100016084084 [0,2,0,0,0,0|0,2,0]=4 17822 B13R1.2679 Cc1cc(ccc1S[C@H](C)CO)F 62a_100016084084_100011205405 [0,2,0,0,0,0|0,2,0]=4 17823 B13R1.2679 Cc1cc(ccc1S[C@H](C)CO)N 62a_100000210723_100016084084 [0,2,0,0,0,0|1,1,0]=4 17824 B13R1.2679 Cc1cc(ccc1S[C@H](C)CO)N 62a_100016084084_100000210723 [0,2,0,0,0,0|1,1,0]=4 17825 B13R1.2679 Cc1cc(ccc1S[C@H](C)CO)O 62a_100016084084_100000690111 [0,2,0,0,0,0|1,1,0]=4 17826 B13R1.2679 Cc1cc(cnc1OC(C)CO)Br 34a_100000685391_100012180447 [0,2,0,0,0,0|1,1,0]=4 17827 B13R1.2679 Cc1cc(ncc1OC(C)CO)Cl 34a_100000692680_100012180447 [0,2,0,0,0,0|1,0,0]=3 17828 B13R1.2679 Cc1cc(ncc1OC(C)CO)Cl 7a_100000692680_100012180447 [0,2,0,0,0,0|1,0,0]=3 17829 B13R1.2679 Cc1cc(ncc1OC(C)CO)F 34a_100009856773_100012180447 [0,2,0,0,0,0|1,1,0]=4 17830 B13R1.2679 Cc1cc(ncc1OC(C)CO)F 7a_100009856773_100012180447 [0,2,0,0,0,0|1,1,0]=4 17831 B13R1.2679 Cc1cc(ncc1SC(C)CO)Cl 62a_100012180447_100010172789 [0,2,0,0,0,0|1,1,0]=4 17832 B13R1.2679 Cc1cc(ncc1S[C@H](C)CO)Cl 62a_100010172789_100016084084 [0,2,0,0,0,0|1,1,0]=4 17833 B13R1.2679 Cc1cc(ncc1S[C@H](C)CO)Cl 62a_100016084084_100010172789 [0,2,0,0,0,0|1,1,0]=4 17834 B13R1.2679 Cc1ccc(c(c1)Br)NC(C)CO 34a_100000210942_100012180447 [0,2,0,0,0,0|2,0,0]=4 17835 B13R1.2679 Cc1ccc(c(c1)Br)OC(C)CO 34a_100000210800_100012180447 [0,2,0,0,0,0|1,0,0]=3 17836 B13R1.2679 Cc1ccc(c(c1)Br)OC(C)CO 7a_100000210800_100012180447 [0,2,0,0,0,0|1,0,0]=3 17837 B13R1.2679 Cc1ccc(c(c1)Br)SC(C)CO 62a_100012180447_100009813563 [0,2,0,0,0,0|1,1,0]=4 17838 B13R1.2679 Cc1ccc(c(c1)Br)S[C@H](C)CO 62a_100009813563_100016084084 [0,2,0,0,0,0|1,1,0]=4 17839 B13R1.2679 Cc1ccc(c(c1)Br)S[C@H](C)CO 62a_100016084084_100009813563 [0,2,0,0,0,0|1,1,0]=4 17840 B13R1.2679 Cc1ccc(c(c1)C)NC(C)CO 34a_100000736561_100012180447 [0,2,0,0,0,0|2,0,0]=4 17841 B13R1.2679 Cc1ccc(c(c1)C)NC(C)CO 7a_100000736561_100012180447 [0,2,0,0,0,0|2,0,0]=4 17842 B13R1.2679 Cc1ccc(c(c1)C)OC(C)CO 34a_100000211776_100012180447 [0,2,0,0,0,0|1,0,0]=3 17843 B13R1.2679 Cc1ccc(c(c1)C)OC(C)CO 7a_100000211776_100012180447 [0,2,0,0,0,0|1,0,0]=3 17844 B13R1.2679 Cc1ccc(c(c1)C)SC(C)CO 62a_100012180447_100011217332 [0,2,0,0,0,0|1,1,0]=4 17845 B13R1.2679 Cc1ccc(c(c1)C)S[C@H](C)CO 62a_100011217332_100016084084 [0,2,0,0,0,0|1,1,0]=4 17846 B13R1.2679 Cc1ccc(c(c1)C)S[C@H](C)CO 62a_100016084084_100011217332 [0,2,0,0,0,0|1,1,0]=4 17847 B13R1.2679 Cc1ccc(c(c1)Cl)NC(C)CO 34a_100000210522_100012180447 [0,2,0,0,0,0|2,0,0]=4 17848 B13R1.2679 Cc1ccc(c(c1)Cl)OC(C)CO 34a_100000749699_100012180447 [0,2,0,0,0,0|1,0,0]=3 17849 B13R1.2679 Cc1ccc(c(c1)Cl)OC(C)CO 7a_100000749699_100012180447 [0,2,0,0,0,0|1,0,0]=3 17850 B13R1.2679 Cc1ccc(c(c1)Cl)SC(C)CO 62a_100012180447_100011263221 [0,2,0,0,0,0|1,1,0]=4 17851 B13R1.2679 Cc1ccc(c(c1)Cl)S[C@H](C)CO 62a_100011263221_100016084084 [0,2,0,0,0,0|1,1,0]=4 17852 B13R1.2679 Cc1ccc(c(c1)Cl)S[C@H](C)CO 62a_100016084084_100011263221 [0,2,0,0,0,0|1,1,0]=4 17853 B13R1.2679 Cc1ccc(c(c1)F)NC(C)CO 34a_100000211023_100012180447 [0,2,0,0,0,0|2,0,0]=4 17854 B13R1.2679 Cc1ccc(c(c1)F)OC(C)CO 34a_100011216688_100012180447 [0,2,0,0,0,0|1,0,0]=3 17855 B13R1.2679 Cc1ccc(c(c1)F)OC(C)CO 7a_100011216688_100012180447 [0,2,0,0,0,0|1,0,0]=3 17856 B13R1.2679 Cc1ccc(c(c1)F)SC(C)CO 62a_100012180447_100011216119 [0,2,0,0,0,0|1,1,0]=4 17857 B13R1.2679 Cc1ccc(c(c1)F)S[C@H](C)CO 62a_100011216119_100016084084 [0,2,0,0,0,0|1,1,0]=4 17858 B13R1.2679 Cc1ccc(c(c1)F)S[C@H](C)CO 62a_100016084084_100011216119 [0,2,0,0,0,0|1,1,0]=4 17859 B13R1.2679 Cc1ccc(c(c1)I)NC(C)CO 34a_100011356834_100012180447 [0,2,0,0,0,0|2,0,0]=4 17860 B13R1.2679 Cc1ccc(c(c1)I)OC(C)CO 34a_100000765521_100012180447 [0,2,0,0,0,0|1,0,0]=3 17861 B13R1.2679 Cc1ccc(c(c1)I)OC(C)CO 7a_100000765521_100012180447 [0,2,0,0,0,0|1,0,0]=3 17862 B13R1.2679 Cc1ccc(c(c1)N)OC(C)CO 34a_100011215204_100012180447 [0,2,0,0,0,0|1,0,0]=3 17863 B13R1.2679 Cc1ccc(c(c1)N)OC(C)CO 7a_100011215204_100012180447 [0,2,0,0,0,0|1,0,0]=3 17864 B13R1.2679 Cc1ccc(c(c1)N)SC(C)CO 62a_100012180447_100011216686 [0,2,0,0,0,0|1,1,0]=4 17865 B13R1.2679 Cc1ccc(c(c1)N)S[C@H](C)CO 62a_100011216686_100016084084 [0,2,0,0,0,0|1,1,0]=4 17866 B13R1.2679 Cc1ccc(c(c1)N)S[C@H](C)CO 62a_100016084084_100011216686 [0,2,0,0,0,0|1,1,0]=4 17867 B13R1.2679 Cc1ccc(c(c1)O)NC(C)CO 34a_100000211527_100012180447 [0,2,0,0,0,0|2,0,0]=4 17868 B13R1.2679 Cc1ccc(c(c1)O)SC(C)CO 62a_100012180447_100012002257 [0,2,0,0,0,0|1,1,0]=4 17869 B13R1.2679 Cc1ccc(c(c1)O)S[C@H](C)CO 62a_100012002257_100016084084 [0,2,0,0,0,0|1,1,0]=4 17870 B13R1.2679 Cc1ccc(c(c1)O)S[C@H](C)CO 62a_100016084084_100012002257 [0,2,0,0,0,0|1,1,0]=4 17871 B13R1.2679 Cc1ccc(c(n1)Br)OC(C)CO 34a_100000702858_100012180447 [0,2,0,0,0,0|2,0,0]=4 17872 B13R1.2679 Cc1ccc(c(n1)Br)OC(C)CO 7a_100000702858_100012180447 [0,2,0,0,0,0|2,0,0]=4 17873 B13R1.2679 Cc1ccc(c(n1)C)OC(C)CO 34a_100011218912_100012180447 [0,2,0,0,0,0|2,0,0]=4 17874 B13R1.2679 Cc1ccc(c(n1)C)OC(C)CO 7a_100011218912_100012180447 [0,2,0,0,0,0|2,0,0]=4 17875 B13R1.2679 Cc1ccc(c(n1)Cl)OC(C)CO 34a_100000086286_100012180447 [0,2,0,0,0,0|2,0,0]=4 17876 B13R1.2679 Cc1ccc(c(n1)Cl)OC(C)CO 7a_100000086286_100012180447 [0,2,0,0,0,0|2,0,0]=4 17877 B13R1.2679 Cc1ccc(c(n1)F)OC(C)CO 34a_100000079963_100012180447 [0,2,0,0,0,0|2,0,0]=4 17878 B13R1.2679 Cc1ccc(c(n1)F)OC(C)CO 7a_100000079963_100012180447 [0,2,0,0,0,0|2,0,0]=4 17879 B13R1.2679 Cc1ccc(c(n1)I)OC(C)CO 34a_100000023897_100012180447 [0,2,0,0,0,0|2,0,0]=4 17880 B13R1.2679 Cc1ccc(c(n1)I)OC(C)CO 7a_100000023897_100012180447 [0,2,0,0,0,0|2,0,0]=4 17881 B13R1.2679 Cc1ccc(c(n1)N)OC(C)CO 34a_100000694039_100012180447 [0,2,0,0,0,0|2,0,0]=4 17882 B13R1.2679 Cc1ccc(c(n1)N)OC(C)CO 7a_100000694039_100012180447 [0,2,0,0,0,0|2,0,0]=4 17883 B13R1.2679 Cc1cnc(c(c1)Br)OC(C)CO 34a_100000719714_100012180447 [0,2,0,0,0,0|2,0,0]=4 17884 B13R1.2679 Cc1cnc(c(c1)N)OC(C)CO 34a_100012000488_100012180447 [0,2,0,0,0,0|2,0,0]=4 17885 B13R1.2679 Cc1nc(ccc1OC(C)CO)Br 34a_100012002022_100012180447 [0,2,0,0,0,0|1,1,0]=4 17886 B13R1.2679 Cc1nc(ccc1OC(C)CO)Br 7a_100012002022_100012180447 [0,2,0,0,0,0|1,1,0]=4 17887 B13R1.2679 Cc1nc(ccc1OC(C)CO)Cl 34a_100012184626_100012180447 [0,2,0,0,0,0|1,0,0]=3 17888 B13R1.2679 Cc1nc(ccc1OC(C)CO)Cl 7a_100012184626_100012180447 [0,2,0,0,0,0|1,0,0]=3 17889 B13R1.2679 Cc1nc(ccc1OC(C)CO)F 34a_100009881036_100012180447 [0,2,0,0,0,0|1,1,0]=4 17890 B13R1.2679 Cc1nc(ccc1OC(C)CO)F 7a_100009881036_100012180447 [0,2,0,0,0,0|1,1,0]=4 17891 B13R1.2679 Cc1nc(ccc1OC(C)CO)I 34a_100010233687_100012180447 [0,2,0,0,0,0|1,1,0]=4 17892 B13R1.2679 Cc1nc(ccc1OC(C)CO)I 7a_100010233687_100012180447 [0,2,0,0,0,0|1,1,0]=4 17893 B13R1.2679 Cc1nc(ccc1SC(C)CO)Cl 62a_100012180447_100000062408 [0,2,0,0,0,0|1,1,0]=4 17894 B13R1.2679 Cc1nc(ccc1S[C@H](C)CO)Cl 62a_100000062408_100016084084 [0,2,0,0,0,0|1,1,0]=4 17895 B13R1.2679 Cc1nc(ccc1S[C@H](C)CO)Cl 62a_100016084084_100000062408 [0,2,0,0,0,0|1,1,0]=4 17896 B13R1.2679 O=C(CO)Cc1ccc(cc1Br)Cl 1458a_100000210174_100000755608 [0,2,0,0,0,0|1,0,1]=4 17897 B13R1.2679 O=C(CO)Cc1ccc(cc1Cl)Cl 1458a_100000210174_100000188473 [0,2,0,0,0,0|1,0,1]=4 17898 B13R1.2679 O=C(CO)Cc1ccc(cc1F)Cl 1458a_100000210174_100000709361 [0,2,0,0,0,0|1,0,1]=4 17899 B13R1.2679 O=C(CO)Cc1ccc(cc1I)Cl 1458a_100000210174_100010254388 [0,2,0,0,0,0|1,0,1]=4 17900 B13R1.2679 O=C(CO)Nc1ccc(cc1Cl)Cl 22a_100000185861_100000210174 [0,2,0,0,0,0|1,0,1]=4 17901 B13R1.2679 O=C(CO)Nc1ccc(cc1F)Cl 22a_100000211020_100000210174 [0,2,0,0,0,0|1,0,1]=4 17902 B13R1.2679 O=C(CO)Nc1ccc(cc1O)Cl 22a_100000185728_100000210174 [0,2,0,0,0,0|1,0,1]=4 17903 B13R1.2679 O=C(CO)Nc1ccc(cc1O)Cl 527a_100000185728_100000210174 [0,2,0,0,0,0|1,0,1]=4 17904 B13R1.2879 C#CC(C)Oc1ccc(c(c1)Br)Cl 34a_100011933957_200000035995 [0,2,0,0,0,0|1,0,1]=4 17905 B13R1.2879 C#CC(C)Oc1ccc(c(c1)C)Cl 34a_100000211092_200000035995 [0,2,0,0,0,0|1,0,1]=4 17906 B13R1.2879 C#CC(C)Oc1ccc(c(c1)Cl)Cl 34a_100000211054_200000035995 [0,2,0,0,0,0|1,0,1]=4 17907 B13R1.2879 C#CC(C)Oc1ccc(c(c1)F)Cl 34a_100000691581_200000035995 [0,2,0,0,0,0|1,0,1]=4 17908 B13R1.2879 C#CC(C)Oc1ccc(c(c1)I)Cl 34a_100000049588_200000035995 [0,2,0,0,0,0|1,0,1]=4 17909 B13R1.2879 C#CC(C)Oc1ccc(c(c1)N)Cl 34a_100011934297_200000035995 [0,2,0,0,0,0|1,0,1]=4 17910 B13R1.2879 CC(C#N)Oc1ccc(c(c1)Br)Cl 7a_100011933957_100000703298 [0,2,0,0,0,0|1,0,1]=4 17911 B13R1.2879 CC(C#N)Oc1ccc(c(c1)Cl)Cl 7a_100000211054_100000703298 [0,2,0,0,0,0|1,0,1]=4 17912 B13R1.2879 CC(C#N)Oc1ccc(c(c1)F)Cl 7a_100000691581_100000703298 [0,2,0,0,0,0|1,0,1]=4 17913 B13R1.2879 CC(C#N)Oc1ccc(c(c1)I)Cl 7a_100000049588_100000703298 [0,2,0,0,0,0|1,0,1]=4 17914 B13R1.2879 CC(CO)Nc1ccc(c(c1)Br)Br 2230a_100011306057_100012180447 [0,2,0,0,0,0|1,1,0]=4 17915 B13R1.2879 CC(CO)Nc1ccc(c(c1)Br)Br 34a_100011306057_100012180447 [0,2,0,0,0,0|1,1,0]=4 17916 B13R1.2879 CC(CO)Nc1ccc(c(c1)Br)Br 7a_100011306057_100012180447 [0,2,0,0,0,0|1,1,0]=4 17917 B13R1.2879 CC(CO)Nc1ccc(c(c1)Br)Cl 2230a_100000686031_100012180447 [0,2,0,0,0,0|1,0,0]=3 17918 B13R1.2879 CC(CO)Nc1ccc(c(c1)Br)Cl 34a_100000686031_100012180447 [0,2,0,0,0,0|1,0,0]=3 17919 B13R1.2879 CC(CO)Nc1ccc(c(c1)Br)F 2230a_100000760356_100012180447 [0,2,0,0,0,0|1,1,0]=4 17920 B13R1.2879 CC(CO)Nc1ccc(c(c1)Br)F 34a_100000760356_100012180447 [0,2,0,0,0,0|1,1,0]=4 17921 B13R1.2879 CC(CO)Nc1ccc(c(c1)Br)F 7a_100000760356_100012180447 [0,2,0,0,0,0|1,1,0]=4 17922 B13R1.2879 CC(CO)Nc1ccc(c(c1)Br)I 34a_100000750458_100012180447 [0,2,0,0,0,0|1,1,0]=4 17923 B13R1.2879 CC(CO)Nc1ccc(c(c1)Br)O 34a_100011534360_100012180447 [0,2,0,0,0,0|2,0,0]=4 17924 B13R1.2879 CC(CO)Nc1ccc(c(c1)Cl)Br 2230a_100000687081_100012180447 [0,2,0,0,0,0|1,1,0]=4 17925 B13R1.2879 CC(CO)Nc1ccc(c(c1)Cl)Br 34a_100000687081_100012180447 [0,2,0,0,0,0|1,1,0]=4 17926 B13R1.2879 CC(CO)Nc1ccc(c(c1)Cl)Br 7a_100000687081_100012180447 [0,2,0,0,0,0|1,1,0]=4 17927 B13R1.2879 CC(CO)Nc1ccc(c(c1)Cl)Cl 2230a_100000184108_100012180447 [0,2,0,0,0,0|1,0,0]=3 17928 B13R1.2879 CC(CO)Nc1ccc(c(c1)Cl)Cl 34a_100000184108_100012180447 [0,2,0,0,0,0|1,0,0]=3 17929 B13R1.2879 CC(CO)Nc1ccc(c(c1)Cl)F 2230a_100000211060_100012180447 [0,2,0,0,0,0|1,1,0]=4 17930 B13R1.2879 CC(CO)Nc1ccc(c(c1)Cl)F 34a_100000211060_100012180447 [0,2,0,0,0,0|1,1,0]=4 17931 B13R1.2879 CC(CO)Nc1ccc(c(c1)Cl)F 7a_100000211060_100012180447 [0,2,0,0,0,0|1,1,0]=4 17932 B13R1.2879 CC(CO)Nc1ccc(c(c1)Cl)I 34a_100000761885_100012180447 [0,2,0,0,0,0|1,1,0]=4 17933 B13R1.2879 CC(CO)Nc1ccc(c(c1)Cl)O 34a_100000744943_100012180447 [0,2,0,0,0,0|2,0,0]=4 17934 B13R1.2879 CC(CO)Nc1ccc(c(c1)F)Br 2230a_100000759894_100012180447 [0,2,0,0,0,0|1,1,0]=4 17935 B13R1.2879 CC(CO)Nc1ccc(c(c1)F)Br 34a_100000759894_100012180447 [0,2,0,0,0,0|1,1,0]=4 17936 B13R1.2879 CC(CO)Nc1ccc(c(c1)F)Br 7a_100000759894_100012180447 [0,2,0,0,0,0|1,1,0]=4 17937 B13R1.2879 CC(CO)Nc1ccc(c(c1)F)Cl 2230a_100000739366_100012180447 [0,2,0,0,0,0|1,0,0]=3 17938 B13R1.2879 CC(CO)Nc1ccc(c(c1)F)Cl 34a_100000739366_100012180447 [0,2,0,0,0,0|1,0,0]=3 17939 B13R1.2879 CC(CO)Nc1ccc(c(c1)F)Cl 7a_100000739366_100012180447 [0,2,0,0,0,0|1,0,0]=3 17940 B13R1.2879 CC(CO)Nc1ccc(c(c1)F)F 2230a_100000210724_100012180447 [0,2,0,0,0,0|1,1,0]=4 17941 B13R1.2879 CC(CO)Nc1ccc(c(c1)F)F 34a_100000210724_100012180447 [0,2,0,0,0,0|1,1,0]=4 17942 B13R1.2879 CC(CO)Nc1ccc(c(c1)F)F 7a_100000210724_100012180447 [0,2,0,0,0,0|1,1,0]=4 17943 B13R1.2879 CC(CO)Nc1ccc(c(c1)F)I 34a_100011356925_100012180447 [0,2,0,0,0,0|1,1,0]=4 17944 B13R1.2879 CC(CO)Nc1ccc(c(c1)F)I 7a_100011356925_100012180447 [0,2,0,0,0,0|1,1,0]=4 17945 B13R1.2879 CC(CO)Nc1ccc(c(c1)F)O 34a_100011220035_100012180447 [0,2,0,0,0,0|2,0,0]=4 17946 B13R1.2879 CC(CO)Nc1ccc(c(c1)F)O 7a_100011220035_100012180447 [0,2,0,0,0,0|2,0,0]=4 17947 B13R1.2879 CC(CO)Nc1ccc(c(c1)I)Br 34a_100000750459_100012180447 [0,2,0,0,0,0|1,1,0]=4 17948 B13R1.2879 CC(CO)Nc1ccc(c(c1)I)Cl 34a_100012360549_100012180447 [0,2,0,0,0,0|1,0,0]=3 17949 B13R1.2879 CC(CO)Nc1ccc(c(c1)I)F 34a_114828291077_100012180447 [0,2,0,0,0,0|1,1,0]=4 17950 B13R1.2879 CC(CO)Nc1ccc(c(c1)I)F 7a_114828291077_100012180447 [0,2,0,0,0,0|1,1,0]=4 17951 B13R1.2879 CC(CO)Nc1ccc(c(c1)O)Cl 34a_100011934209_100012180447 [0,2,0,0,0,0|1,0,0]=3 17952 B13R1.2879 CC(CO)Nc1ccc(c(c1)O)F 34a_100012017398_100012180447 [0,2,0,0,0,0|1,1,0]=4 17953 B13R1.2879 CC(CO)Nc1ccc(c(c1)O)F 7a_100012017398_100012180447 [0,2,0,0,0,0|1,1,0]=4 17954 B13R1.2879 CC(CO)Nc1ccc(c(c1)O)O 34a_100102946323_100012180447 [0,2,0,0,0,0|2,0,0]=4 17955 B13R1.2879 CC(CO)Oc1cc(c(cn1)Br)Cl 34a_100010369989_100012180447 [0,2,0,0,0,0|1,1,0]=4 17956 B13R1.2879 CC(CO)Oc1cc(c(cn1)Cl)Cl 34a_200000099200_100012180447 [0,2,0,0,0,0|1,0,0]=3 17957 B13R1.2879 CC(CO)Oc1ccc(c(c1)Br)Cl 34a_100011933957_100012180447 [0,2,0,0,0,0|0,0,0]=2 17958 B13R1.2879 CC(CO)Oc1ccc(c(c1)Br)Cl 7a_100011933957_100012180447 [0,2,0,0,0,0|0,0,0]=2 17959 B13R1.2879 CC(CO)Oc1ccc(c(c1)Br)F 34a_100000693481_100012180447 [0,2,0,0,0,0|0,1,0]=3 17960 B13R1.2879 CC(CO)Oc1ccc(c(c1)Br)F 7a_100000693481_100012180447 [0,2,0,0,0,0|0,1,0]=3 17961 B13R1.2879 CC(CO)Oc1ccc(c(c1)Br)I 34a_100000701344_100012180447 [0,2,0,0,0,0|0,1,0]=3 17962 B13R1.2879 CC(CO)Oc1ccc(c(c1)Br)I 7a_100000701344_100012180447 [0,2,0,0,0,0|0,1,0]=3 17963 B13R1.2879 CC(CO)Oc1ccc(c(c1)Br)N 34a_100012001276_100012180447 [0,2,0,0,0,0|1,0,0]=3 17964 B13R1.2879 CC(CO)Oc1ccc(c(c1)Br)N 7a_100012001276_100012180447 [0,2,0,0,0,0|1,0,0]=3 17965 B13R1.2879 CC(CO)Oc1ccc(c(c1)Cl)Br 34a_100011215161_100012180447 [0,2,0,0,0,0|0,1,0]=3 17966 B13R1.2879 CC(CO)Oc1ccc(c(c1)Cl)Br 7a_100011215161_100012180447 [0,2,0,0,0,0|0,1,0]=3 17967 B13R1.2879 CC(CO)Oc1ccc(c(c1)Cl)Cl 34a_100000211054_100012180447 [0,2,0,0,0,0|0,0,0]=2 17968 B13R1.2879 CC(CO)Oc1ccc(c(c1)Cl)Cl 7a_100000211054_100012180447 [0,2,0,0,0,0|0,0,0]=2 17969 B13R1.2879 CC(CO)Oc1ccc(c(c1)Cl)F 34a_100000211030_100012180447 [0,2,0,0,0,0|0,1,0]=3 17970 B13R1.2879 CC(CO)Oc1ccc(c(c1)Cl)F 7a_100000211030_100012180447 [0,2,0,0,0,0|0,1,0]=3 17971 B13R1.2879 CC(CO)Oc1ccc(c(c1)Cl)I 34a_100000047559_100012180447 [0,2,0,0,0,0|0,1,0]=3 17972 B13R1.2879 CC(CO)Oc1ccc(c(c1)Cl)I 7a_100000047559_100012180447 [0,2,0,0,0,0|0,1,0]=3 17973 B13R1.2879 CC(CO)Oc1ccc(c(c1)Cl)N 34a_100011215599_100012180447 [0,2,0,0,0,0|1,0,0]=3 17974 B13R1.2879 CC(CO)Oc1ccc(c(c1)Cl)N 7a_100011215599_100012180447 [0,2,0,0,0,0|1,0,0]=3 17975 B13R1.2879 CC(CO)Oc1ccc(c(c1)F)Br 34a_100000755031_100012180447 [0,2,0,0,0,0|0,1,0]=3 17976 B13R1.2879 CC(CO)Oc1ccc(c(c1)F)Br 7a_100000755031_100012180447 [0,2,0,0,0,0|0,1,0]=3 17977 B13R1.2879 CC(CO)Oc1ccc(c(c1)F)Cl 34a_100000691581_100012180447 [0,2,0,0,0,0|0,0,0]=2 17978 B13R1.2879 CC(CO)Oc1ccc(c(c1)F)Cl 7a_100000691581_100012180447 [0,2,0,0,0,0|0,0,0]=2 17979 B13R1.2879 CC(CO)Oc1ccc(c(c1)F)F 34a_100000181275_100012180447 [0,2,0,0,0,0|0,1,0]=3 17980 B13R1.2879 CC(CO)Oc1ccc(c(c1)F)F 7a_100000181275_100012180447 [0,2,0,0,0,0|0,1,0]=3 17981 B13R1.2879 CC(CO)Oc1ccc(c(c1)F)I 34a_100009990212_100012180447 [0,2,0,0,0,0|0,1,0]=3 17982 B13R1.2879 CC(CO)Oc1ccc(c(c1)F)I 7a_100009990212_100012180447 [0,2,0,0,0,0|0,1,0]=3 17983 B13R1.2879 CC(CO)Oc1ccc(c(c1)F)N 34a_100000759473_100012180447 [0,2,0,0,0,0|1,0,0]=3 17984 B13R1.2879 CC(CO)Oc1ccc(c(c1)F)N 7a_100000759473_100012180447 [0,2,0,0,0,0|1,0,0]=3 17985 B13R1.2879 CC(CO)Oc1ccc(c(c1)I)Br 34a_100012339312_100012180447 [0,2,0,0,0,0|0,1,0]=3 17986 B13R1.2879 CC(CO)Oc1ccc(c(c1)I)Br 7a_100012339312_100012180447 [0,2,0,0,0,0|0,1,0]=3 17987 B13R1.2879 CC(CO)Oc1ccc(c(c1)I)Cl 34a_100000049588_100012180447 [0,2,0,0,0,0|0,0,0]=2 17988 B13R1.2879 CC(CO)Oc1ccc(c(c1)I)Cl 7a_100000049588_100012180447 [0,2,0,0,0,0|0,0,0]=2 17989 B13R1.2879 CC(CO)Oc1ccc(c(c1)I)N 34a_100010084370_100012180447 [0,2,0,0,0,0|1,0,0]=3 17990 B13R1.2879 CC(CO)Oc1ccc(c(c1)I)N 7a_100010084370_100012180447 [0,2,0,0,0,0|1,0,0]=3 17991 B13R1.2879 CC(CO)Oc1ccc(c(c1)N)Br 34a_100011999798_100012180447 [0,2,0,0,0,0|0,1,0]=3 17992 B13R1.2879 CC(CO)Oc1ccc(c(c1)N)Br 7a_100011999798_100012180447 [0,2,0,0,0,0|0,1,0]=3 17993 B13R1.2879 CC(CO)Oc1ccc(c(c1)N)Cl 34a_100011934297_100012180447 [0,2,0,0,0,0|0,0,0]=2 17994 B13R1.2879 CC(CO)Oc1ccc(c(c1)N)F 34a_100012017239_100012180447 [0,2,0,0,0,0|0,1,0]=3 17995 B13R1.2879 CC(CO)Oc1ccc(c(c1)N)F 7a_100012017239_100012180447 [0,2,0,0,0,0|0,1,0]=3 17996 B13R1.2879 CC(CO)Oc1ccc(c(c1)N)N 34a_100025771000_100012180447 [0,2,0,0,0,0|1,0,0]=3 17997 B13R1.2879 CC(CO)Oc1ccc(c(n1)F)Br 34a_100009879308_100012180447 [0,2,0,0,0,0|1,1,0]=4 17998 B13R1.2879 CC(CO)Oc1cnc(c(c1)Br)Cl 34a_100012356455_100012180447 [0,2,0,0,0,0|1,0,0]=3 17999 B13R1.2879 CC(CO)Oc1cnc(c(c1)Br)Cl 7a_100012356455_100012180447 [0,2,0,0,0,0|1,0,0]=3 18000 B13R1.2879 CC(CO)Oc1cnc(c(c1)Br)F 34a_100009817267_100012180447 [0,2,0,0,0,0|1,1,0]=4 18001 B13R1.2879 CC(CO)Oc1cnc(c(c1)Br)F 7a_100009817267_100012180447 [0,2,0,0,0,0|1,1,0]=4 18002 B13R1.2879 CC(CO)Oc1cnc(c(c1)Cl)Br 34a_100010209684_100012180447 [0,2,0,0,0,0|1,1,0]=4 18003 B13R1.2879 CC(CO)Oc1cnc(c(c1)Cl)Br 7a_100010209684_100012180447 [0,2,0,0,0,0|1,1,0]=4 18004 B13R1.2879 CC(CO)Oc1cnc(c(c1)Cl)Cl 34a_100000094354_100012180447 [0,2,0,0,0,0|1,0,0]=3 18005 B13R1.2879 CC(CO)Oc1cnc(c(c1)Cl)Cl 7a_100000094354_100012180447 [0,2,0,0,0,0|1,0,0]=3 18006 B13R1.2879 CC(CO)Oc1cnc(c(c1)Cl)F 34a_100000087088_100012180447 [0,2,0,0,0,0|1,1,0]=4 18007 B13R1.2879 CC(CO)Oc1cnc(c(c1)Cl)F 7a_100000087088_100012180447 [0,2,0,0,0,0|1,1,0]=4 18008 B13R1.2879 CC(CO)Oc1cnc(c(c1)F)Cl 34a_100000063512_100012180447 [0,2,0,0,0,0|1,0,0]=3 18009 B13R1.2879 CC(CO)Oc1cnc(c(c1)F)Cl 7a_100000063512_100012180447 [0,2,0,0,0,0|1,0,0]=3 18010 B13R1.2879 CC(CO)Sc1ccc(c(c1)Br)Br 62a_100012180447_100012356285 [0,2,0,0,0,0|0,2,0]=4 18011 B13R1.2879 CC(CO)Sc1ccc(c(c1)Br)Cl 62a_100012180447_100012353702 [0,2,0,0,0,0|0,1,0]=3 18012 B13R1.2879 CC(CO)Sc1ccc(c(c1)Br)F 62a_100012180447_100012047266 [0,2,0,0,0,0|0,2,0]=4 18013 B13R1.2879 CC(CO)Sc1ccc(c(c1)Br)N 62a_100012180447_100000750455 [0,2,0,0,0,0|1,1,0]=4 18014 B13R1.2879 CC(CO)Sc1ccc(c(c1)Br)O 62a_100012180447_100012361655 [0,2,0,0,0,0|1,1,0]=4 18015 B13R1.2879 CC(CO)Sc1ccc(c(c1)Cl)Br 62a_100012180447_100012047281 [0,2,0,0,0,0|0,2,0]=4 18016 B13R1.2879 CC(CO)Sc1ccc(c(c1)Cl)Cl 62a_100012180447_100011214914 [0,2,0,0,0,0|0,1,0]=3 18017 B13R1.2879 CC(CO)Sc1ccc(c(c1)Cl)F 62a_100012180447_100011215976 [0,2,0,0,0,0|0,2,0]=4 18018 B13R1.2879 CC(CO)Sc1ccc(c(c1)Cl)N 62a_100012180447_100011218065 [0,2,0,0,0,0|1,1,0]=4 18019 B13R1.2879 CC(CO)Sc1ccc(c(c1)Cl)O 62a_100012180447_100012360047 [0,2,0,0,0,0|1,1,0]=4 18020 B13R1.2879 CC(CO)Sc1ccc(c(c1)F)Br 62a_100012180447_100000685389 [0,2,0,0,0,0|0,2,0]=4 18021 B13R1.2879 CC(CO)Sc1ccc(c(c1)F)Cl 62a_100012180447_100011216805 [0,2,0,0,0,0|0,1,0]=3 18022 B13R1.2879 CC(CO)Sc1ccc(c(c1)F)F 62a_100012180447_100000703953 [0,2,0,0,0,0|0,2,0]=4 18023 B13R1.2879 CC(CO)Sc1ccc(c(c1)F)N 62a_100012180447_100011215594 [0,2,0,0,0,0|1,1,0]=4 18024 B13R1.2879 CC(CO)Sc1ccc(c(c1)F)O 62a_100012180447_100000185481 [0,2,0,0,0,0|1,1,0]=4 18025 B13R1.2879 CC(CO)Sc1ccc(c(c1)N)Br 62a_100012180447_100000750456 [0,2,0,0,0,0|0,2,0]=4 18026 B13R1.2879 CC(CO)Sc1ccc(c(c1)N)Cl 62a_100012180447_200000761891 [0,2,0,0,0,0|0,1,0]=3 18027 B13R1.2879 CC(CO)Sc1ccc(c(c1)N)F 62a_100012180447_100000740924 [0,2,0,0,0,0|0,2,0]=4 18028 B13R1.2879 CC(CO)Sc1ccc(c(c1)N)N 62a_100012180447_100011534411 [0,2,0,0,0,0|1,1,0]=4 18029 B13R1.2879 CC(CO)Sc1ccc(c(c1)N)O 62a_100012180447_100000752626 [0,2,0,0,0,0|1,1,0]=4 18030 B13R1.2879 CC(CO)Sc1ccc(c(c1)O)Br 62a_100012180447_100012356990 [0,2,0,0,0,0|0,2,0]=4 18031 B13R1.2879 CC(CO)Sc1ccc(c(c1)O)Cl 62a_100012180447_100011356854 [0,2,0,0,0,0|0,1,0]=3 18032 B13R1.2879 CC(CO)Sc1ccc(c(c1)O)F 62a_100012180447_100000686035 [0,2,0,0,0,0|0,2,0]=4 18033 B13R1.2879 CC(CO)Sc1ccc(c(c1)O)N 62a_100012180447_100000739049 [0,2,0,0,0,0|1,1,0]=4 18034 B13R1.2879 CC(CO)Sc1ccc(c(c1)O)O 62a_100012180447_100009813601 [0,2,0,0,0,0|1,1,0]=4 18035 B13R1.2879 CC(CO)Sc1cnc(c(c1)Br)Cl 62a_100012180447_100010172733 [0,2,0,0,0,0|1,1,0]=4 18036 B13R1.2879 CC(CO)Sc1cnc(c(c1)N)Cl 62a_100012180447_100009828400 [0,2,0,0,0,0|1,1,0]=4 18037 B13R1.2879 CCC(C)Nc1ccc(c(c1)Br)Cl 2230a_100000686031_100000758301 [0,2,0,0,0,0|2,0,0]=4 18038 B13R1.2879 CCC(C)Nc1ccc(c(c1)Br)Cl 34a_100000686031_100011215416 [0,2,0,0,0,0|2,0,0]=4 18039 B13R1.2879 CCC(C)Nc1ccc(c(c1)C)Cl 2230a_100000187808_100000758301 [0,2,0,0,0,0|2,0,0]=4 18040 B13R1.2879 CCC(C)Nc1ccc(c(c1)C)Cl 34a_100000187808_100011215416 [0,2,0,0,0,0|2,0,0]=4 18041 B13R1.2879 CCC(C)Nc1ccc(c(c1)C)Cl 7a_100000187808_100000758301 [0,2,0,0,0,0|2,0,0]=4 18042 B13R1.2879 CCC(C)Nc1ccc(c(c1)Cl)Cl 2230a_100000184108_100000758301 [0,2,0,0,0,0|2,0,0]=4 18043 B13R1.2879 CCC(C)Nc1ccc(c(c1)Cl)Cl 34a_100000184108_100011215416 [0,2,0,0,0,0|2,0,0]=4 18044 B13R1.2879 CCC(C)Nc1ccc(c(c1)F)Cl 2230a_100000739366_100000758301 [0,2,0,0,0,0|2,0,0]=4 18045 B13R1.2879 CCC(C)Nc1ccc(c(c1)F)Cl 34a_100000739366_100011215416 [0,2,0,0,0,0|2,0,0]=4 18046 B13R1.2879 CCC(C)Nc1ccc(c(c1)F)Cl 7a_100000739366_100000758301 [0,2,0,0,0,0|2,0,0]=4 18047 B13R1.2879 CCC(C)Nc1ccc(c(c1)I)Cl 34a_100012360549_100011215416 [0,2,0,0,0,0|2,0,0]=4 18048 B13R1.2879 CCC(C)Nc1ccc(c(c1)O)Cl 34a_100011934209_100011215416 [0,2,0,0,0,0|2,0,0]=4 18049 B13R1.2879 CCC(C)Oc1cc(c(cn1)Cl)C 34a_200000085746_100011215416 [0,2,0,0,0,0|2,0,0]=4 18050 B13R1.2879 CCC(C)Oc1cc(c(cn1)Cl)Cl 34a_200000099200_100011215416 [0,2,0,0,0,0|2,0,0]=4 18051 B13R1.2879 CCC(C)Oc1ccc(c(c1)Br)C 34a_100011380479_100011215416 [0,2,0,0,0,0|2,0,0]=4 18052 B13R1.2879 CCC(C)Oc1ccc(c(c1)Br)C 7a_100011380479_100000758301 [0,2,0,0,0,0|2,0,0]=4 18053 B13R1.2879 CCC(C)Oc1ccc(c(c1)Br)Cl 34a_100011933957_100011215416 [0,2,0,0,0,0|1,0,0]=3 18054 B13R1.2879 CCC(C)Oc1ccc(c(c1)Br)Cl 7a_100011933957_100000758301 [0,2,0,0,0,0|1,0,0]=3 18055 B13R1.2879 CCC(C)Oc1ccc(c(c1)Br)F 34a_100000693481_100011215416 [0,2,0,0,0,0|1,1,0]=4 18056 B13R1.2879 CCC(C)Oc1ccc(c(c1)Br)F 7a_100000693481_100000758301 [0,2,0,0,0,0|1,1,0]=4 18057 B13R1.2879 CCC(C)Oc1ccc(c(c1)Br)I 34a_100000701344_100011215416 [0,2,0,0,0,0|1,1,0]=4 18058 B13R1.2879 CCC(C)Oc1ccc(c(c1)Br)I 7a_100000701344_100000758301 [0,2,0,0,0,0|1,1,0]=4 18059 B13R1.2879 CCC(C)Oc1ccc(c(c1)Br)N 34a_100012001276_100011215416 [0,2,0,0,0,0|2,0,0]=4 18060 B13R1.2879 CCC(C)Oc1ccc(c(c1)Br)N 7a_100012001276_100000758301 [0,2,0,0,0,0|2,0,0]=4 18061 B13R1.2879 CCC(C)Oc1ccc(c(c1)C)Br 34a_100000690111_100011215416 [0,2,0,0,0,0|1,1,0]=4 18062 B13R1.2879 CCC(C)Oc1ccc(c(c1)C)Br 7a_100000690111_100000758301 [0,2,0,0,0,0|1,1,0]=4 18063 B13R1.2879 CCC(C)Oc1ccc(c(c1)C)C 34a_100000210932_100011215416 [0,2,0,0,0,0|2,0,0]=4 18064 B13R1.2879 CCC(C)Oc1ccc(c(c1)C)C 7a_100000210932_100000758301 [0,2,0,0,0,0|2,0,0]=4 18065 B13R1.2879 CCC(C)Oc1ccc(c(c1)C)Cl 34a_100000211092_100011215416 [0,2,0,0,0,0|1,0,0]=3 18066 B13R1.2879 CCC(C)Oc1ccc(c(c1)C)Cl 7a_100000211092_100000758301 [0,2,0,0,0,0|1,0,0]=3 18067 B13R1.2879 CCC(C)Oc1ccc(c(c1)C)F 34a_100000751312_100011215416 [0,2,0,0,0,0|1,1,0]=4 18068 B13R1.2879 CCC(C)Oc1ccc(c(c1)C)F 7a_100000751312_100000758301 [0,2,0,0,0,0|1,1,0]=4 18069 B13R1.2879 CCC(C)Oc1ccc(c(c1)C)I 34a_100000729255_100011215416 [0,2,0,0,0,0|1,1,0]=4 18070 B13R1.2879 CCC(C)Oc1ccc(c(c1)C)I 7a_100000729255_100000758301 [0,2,0,0,0,0|1,1,0]=4 18071 B13R1.2879 CCC(C)Oc1ccc(c(c1)C)N 34a_100000756630_100011215416 [0,2,0,0,0,0|2,0,0]=4 18072 B13R1.2879 CCC(C)Oc1ccc(c(c1)C)N 7a_100000756630_100000758301 [0,2,0,0,0,0|2,0,0]=4 18073 B13R1.2879 CCC(C)Oc1ccc(c(c1)Cl)Br 34a_100011215161_100011215416 [0,2,0,0,0,0|1,1,0]=4 18074 B13R1.2879 CCC(C)Oc1ccc(c(c1)Cl)Br 7a_100011215161_100000758301 [0,2,0,0,0,0|1,1,0]=4 18075 B13R1.2879 CCC(C)Oc1ccc(c(c1)Cl)C 34a_100011265682_100011215416 [0,2,0,0,0,0|2,0,0]=4 18076 B13R1.2879 CCC(C)Oc1ccc(c(c1)Cl)C 7a_100011265682_100000758301 [0,2,0,0,0,0|2,0,0]=4 18077 B13R1.2879 CCC(C)Oc1ccc(c(c1)Cl)Cl 34a_100000211054_100011215416 [0,2,0,0,0,0|1,0,0]=3 18078 B13R1.2879 CCC(C)Oc1ccc(c(c1)Cl)Cl 7a_100000211054_100000758301 [0,2,0,0,0,0|1,0,0]=3 18079 B13R1.2879 CCC(C)Oc1ccc(c(c1)Cl)F 34a_100000211030_100011215416 [0,2,0,0,0,0|1,1,0]=4 18080 B13R1.2879 CCC(C)Oc1ccc(c(c1)Cl)F 7a_100000211030_100000758301 [0,2,0,0,0,0|1,1,0]=4 18081 B13R1.2879 CCC(C)Oc1ccc(c(c1)Cl)I 34a_100000047559_100011215416 [0,2,0,0,0,0|1,1,0]=4 18082 B13R1.2879 CCC(C)Oc1ccc(c(c1)Cl)I 7a_100000047559_100000758301 [0,2,0,0,0,0|1,1,0]=4 18083 B13R1.2879 CCC(C)Oc1ccc(c(c1)Cl)N 34a_100011215599_100011215416 [0,2,0,0,0,0|2,0,0]=4 18084 B13R1.2879 CCC(C)Oc1ccc(c(c1)Cl)N 7a_100011215599_100000758301 [0,2,0,0,0,0|2,0,0]=4 18085 B13R1.2879 CCC(C)Oc1ccc(c(c1)F)Br 34a_100000755031_100011215416 [0,2,0,0,0,0|1,1,0]=4 18086 B13R1.2879 CCC(C)Oc1ccc(c(c1)F)Br 7a_100000755031_100000758301 [0,2,0,0,0,0|1,1,0]=4 18087 B13R1.2879 CCC(C)Oc1ccc(c(c1)F)C 34a_100000722560_100011215416 [0,2,0,0,0,0|2,0,0]=4 18088 B13R1.2879 CCC(C)Oc1ccc(c(c1)F)C 7a_100000722560_100000758301 [0,2,0,0,0,0|2,0,0]=4 18089 B13R1.2879 CCC(C)Oc1ccc(c(c1)F)Cl 34a_100000691581_100011215416 [0,2,0,0,0,0|1,0,0]=3 18090 B13R1.2879 CCC(C)Oc1ccc(c(c1)F)Cl 7a_100000691581_100000758301 [0,2,0,0,0,0|1,0,0]=3 18091 B13R1.2879 CCC(C)Oc1ccc(c(c1)F)F 34a_100000181275_100011215416 [0,2,0,0,0,0|1,1,0]=4 18092 B13R1.2879 CCC(C)Oc1ccc(c(c1)F)F 7a_100000181275_100000758301 [0,2,0,0,0,0|1,1,0]=4 18093 B13R1.2879 CCC(C)Oc1ccc(c(c1)F)I 34a_100009990212_100011215416 [0,2,0,0,0,0|1,1,0]=4 18094 B13R1.2879 CCC(C)Oc1ccc(c(c1)F)I 7a_100009990212_100000758301 [0,2,0,0,0,0|1,1,0]=4 18095 B13R1.2879 CCC(C)Oc1ccc(c(c1)F)N 34a_100000759473_100011215416 [0,2,0,0,0,0|2,0,0]=4 18096 B13R1.2879 CCC(C)Oc1ccc(c(c1)F)N 7a_100000759473_100000758301 [0,2,0,0,0,0|2,0,0]=4 18097 B13R1.2879 CCC(C)Oc1ccc(c(c1)I)Br 34a_100012339312_100011215416 [0,2,0,0,0,0|1,1,0]=4 18098 B13R1.2879 CCC(C)Oc1ccc(c(c1)I)Br 7a_100012339312_100000758301 [0,2,0,0,0,0|1,1,0]=4 18099 B13R1.2879 CCC(C)Oc1ccc(c(c1)I)Cl 34a_100000049588_100011215416 [0,2,0,0,0,0|1,0,0]=3 18100 B13R1.2879 CCC(C)Oc1ccc(c(c1)I)Cl 7a_100000049588_100000758301 [0,2,0,0,0,0|1,0,0]=3 18101 B13R1.2879 CCC(C)Oc1ccc(c(c1)I)N 34a_100010084370_100011215416 [0,2,0,0,0,0|2,0,0]=4 18102 B13R1.2879 CCC(C)Oc1ccc(c(c1)I)N 7a_100010084370_100000758301 [0,2,0,0,0,0|2,0,0]=4 18103 B13R1.2879 CCC(C)Oc1ccc(c(c1)N)Br 34a_100011999798_100011215416 [0,2,0,0,0,0|1,1,0]=4 18104 B13R1.2879 CCC(C)Oc1ccc(c(c1)N)Br 7a_100011999798_100000758301 [0,2,0,0,0,0|1,1,0]=4 18105 B13R1.2879 CCC(C)Oc1ccc(c(c1)N)C 34a_100011216113_100011215416 [0,2,0,0,0,0|2,0,0]=4 18106 B13R1.2879 CCC(C)Oc1ccc(c(c1)N)C 7a_100011216113_100000758301 [0,2,0,0,0,0|2,0,0]=4 18107 B13R1.2879 CCC(C)Oc1ccc(c(c1)N)Cl 34a_100011934297_100011215416 [0,2,0,0,0,0|1,0,0]=3 18108 B13R1.2879 CCC(C)Oc1ccc(c(c1)N)F 34a_100012017239_100011215416 [0,2,0,0,0,0|1,1,0]=4 18109 B13R1.2879 CCC(C)Oc1ccc(c(c1)N)F 7a_100012017239_100000758301 [0,2,0,0,0,0|1,1,0]=4 18110 B13R1.2879 CCC(C)Oc1ccc(c(c1)N)N 34a_100025771000_100011215416 [0,2,0,0,0,0|2,0,0]=4 18111 B13R1.2879 CCC(C)Oc1ccc(c(n1)C)Cl 34a_200009863735_100011215416 [0,2,0,0,0,0|2,0,0]=4 18112 B13R1.2879 CCC(C)Oc1cnc(c(c1)Br)Cl 34a_100012356455_100011215416 [0,2,0,0,0,0|2,0,0]=4 18113 B13R1.2879 CCC(C)Oc1cnc(c(c1)Br)Cl 7a_100012356455_100000758301 [0,2,0,0,0,0|2,0,0]=4 18114 B13R1.2879 CCC(C)Oc1cnc(c(c1)C)Cl 34a_100012002680_100011215416 [0,2,0,0,0,0|2,0,0]=4 18115 B13R1.2879 CCC(C)Oc1cnc(c(c1)C)Cl 7a_100012002680_100000758301 [0,2,0,0,0,0|2,0,0]=4 18116 B13R1.2879 CCC(C)Oc1cnc(c(c1)Cl)Cl 34a_100000094354_100011215416 [0,2,0,0,0,0|2,0,0]=4 18117 B13R1.2879 CCC(C)Oc1cnc(c(c1)Cl)Cl 7a_100000094354_100000758301 [0,2,0,0,0,0|2,0,0]=4 18118 B13R1.2879 CCC(C)Oc1cnc(c(c1)F)Cl 34a_100000063512_100011215416 [0,2,0,0,0,0|2,0,0]=4 18119 B13R1.2879 CCC(C)Oc1cnc(c(c1)F)Cl 7a_100000063512_100000758301 [0,2,0,0,0,0|2,0,0]=4 18120 B13R1.2879 CCC(C)Sc1ccc(c(c1)Br)Cl 62a_100000758301_100012353702 [0,2,0,0,0,0|1,1,0]=4 18121 B13R1.2879 CCC(C)Sc1ccc(c(c1)Br)Cl 62a_100012353702_100000758301 [0,2,0,0,0,0|1,1,0]=4 18122 B13R1.2879 CCC(C)Sc1ccc(c(c1)C)Cl 62a_100000049509_100000758301 [0,2,0,0,0,0|1,1,0]=4 18123 B13R1.2879 CCC(C)Sc1ccc(c(c1)C)Cl 62a_100000758301_100000049509 [0,2,0,0,0,0|1,1,0]=4 18124 B13R1.2879 CCC(C)Sc1ccc(c(c1)Cl)Cl 62a_100000758301_100011214914 [0,2,0,0,0,0|1,1,0]=4 18125 B13R1.2879 CCC(C)Sc1ccc(c(c1)Cl)Cl 62a_100011214914_100000758301 [0,2,0,0,0,0|1,1,0]=4 18126 B13R1.2879 CCC(C)Sc1ccc(c(c1)F)Cl 62a_100000758301_100011216805 [0,2,0,0,0,0|1,1,0]=4 18127 B13R1.2879 CCC(C)Sc1ccc(c(c1)F)Cl 62a_100011216805_100000758301 [0,2,0,0,0,0|1,1,0]=4 18128 B13R1.2879 CCC(C)Sc1ccc(c(c1)N)Cl 62a_100000758301_200000761891 [0,2,0,0,0,0|1,1,0]=4 18129 B13R1.2879 CCC(C)Sc1ccc(c(c1)N)Cl 62a_200000761891_100000758301 [0,2,0,0,0,0|1,1,0]=4 18130 B13R1.2879 CCC(C)Sc1ccc(c(c1)O)Cl 62a_100000758301_100011356854 [0,2,0,0,0,0|1,1,0]=4 18131 B13R1.2879 CCC(C)Sc1ccc(c(c1)O)Cl 62a_100011356854_100000758301 [0,2,0,0,0,0|1,1,0]=4 18132 B13R1.2879 C[C@H](CO)Nc1cc(c(cn1)Cl)O 271570a_203496583355_100015943080 [0,2,0,0,0,0|2,0,0]=4 18133 B13R1.2879 C[C@H](CO)Sc1ccc(c(c1)Br)Br 62a_100012356285_100016084084 [0,2,0,0,0,0|0,2,0]=4 18134 B13R1.2879 C[C@H](CO)Sc1ccc(c(c1)Br)Br 62a_100016084084_100012356285 [0,2,0,0,0,0|0,2,0]=4 18135 B13R1.2879 C[C@H](CO)Sc1ccc(c(c1)Br)Cl 62a_100012353702_100016084084 [0,2,0,0,0,0|0,1,0]=3 18136 B13R1.2879 C[C@H](CO)Sc1ccc(c(c1)Br)Cl 62a_100016084084_100012353702 [0,2,0,0,0,0|0,1,0]=3 18137 B13R1.2879 C[C@H](CO)Sc1ccc(c(c1)Br)F 62a_100012047266_100016084084 [0,2,0,0,0,0|0,2,0]=4 18138 B13R1.2879 C[C@H](CO)Sc1ccc(c(c1)Br)F 62a_100016084084_100012047266 [0,2,0,0,0,0|0,2,0]=4 18139 B13R1.2879 C[C@H](CO)Sc1ccc(c(c1)Br)N 62a_100000750455_100016084084 [0,2,0,0,0,0|1,1,0]=4 18140 B13R1.2879 C[C@H](CO)Sc1ccc(c(c1)Br)N 62a_100016084084_100000750455 [0,2,0,0,0,0|1,1,0]=4 18141 B13R1.2879 C[C@H](CO)Sc1ccc(c(c1)Br)O 62a_100012361655_100016084084 [0,2,0,0,0,0|1,1,0]=4 18142 B13R1.2879 C[C@H](CO)Sc1ccc(c(c1)Br)O 62a_100016084084_100012361655 [0,2,0,0,0,0|1,1,0]=4 18143 B13R1.2879 C[C@H](CO)Sc1ccc(c(c1)Cl)Br 62a_100012047281_100016084084 [0,2,0,0,0,0|0,2,0]=4 18144 B13R1.2879 C[C@H](CO)Sc1ccc(c(c1)Cl)Br 62a_100016084084_100012047281 [0,2,0,0,0,0|0,2,0]=4 18145 B13R1.2879 C[C@H](CO)Sc1ccc(c(c1)Cl)Cl 62a_100011214914_100016084084 [0,2,0,0,0,0|0,1,0]=3 18146 B13R1.2879 C[C@H](CO)Sc1ccc(c(c1)Cl)Cl 62a_100016084084_100011214914 [0,2,0,0,0,0|0,1,0]=3 18147 B13R1.2879 C[C@H](CO)Sc1ccc(c(c1)Cl)F 62a_100011215976_100016084084 [0,2,0,0,0,0|0,2,0]=4 18148 B13R1.2879 C[C@H](CO)Sc1ccc(c(c1)Cl)F 62a_100016084084_100011215976 [0,2,0,0,0,0|0,2,0]=4 18149 B13R1.2879 C[C@H](CO)Sc1ccc(c(c1)Cl)N 62a_100011218065_100016084084 [0,2,0,0,0,0|1,1,0]=4 18150 B13R1.2879 C[C@H](CO)Sc1ccc(c(c1)Cl)N 62a_100016084084_100011218065 [0,2,0,0,0,0|1,1,0]=4 18151 B13R1.2879 C[C@H](CO)Sc1ccc(c(c1)Cl)O 62a_100012360047_100016084084 [0,2,0,0,0,0|1,1,0]=4 18152 B13R1.2879 C[C@H](CO)Sc1ccc(c(c1)Cl)O 62a_100016084084_100012360047 [0,2,0,0,0,0|1,1,0]=4 18153 B13R1.2879 C[C@H](CO)Sc1ccc(c(c1)F)Br 62a_100000685389_100016084084 [0,2,0,0,0,0|0,2,0]=4 18154 B13R1.2879 C[C@H](CO)Sc1ccc(c(c1)F)Br 62a_100016084084_100000685389 [0,2,0,0,0,0|0,2,0]=4 18155 B13R1.2879 C[C@H](CO)Sc1ccc(c(c1)F)Cl 62a_100011216805_100016084084 [0,2,0,0,0,0|0,1,0]=3 18156 B13R1.2879 C[C@H](CO)Sc1ccc(c(c1)F)Cl 62a_100016084084_100011216805 [0,2,0,0,0,0|0,1,0]=3 18157 B13R1.2879 C[C@H](CO)Sc1ccc(c(c1)F)F 62a_100000703953_100016084084 [0,2,0,0,0,0|0,2,0]=4 18158 B13R1.2879 C[C@H](CO)Sc1ccc(c(c1)F)F 62a_100016084084_100000703953 [0,2,0,0,0,0|0,2,0]=4 18159 B13R1.2879 C[C@H](CO)Sc1ccc(c(c1)F)N 62a_100011215594_100016084084 [0,2,0,0,0,0|1,1,0]=4 18160 B13R1.2879 C[C@H](CO)Sc1ccc(c(c1)F)N 62a_100016084084_100011215594 [0,2,0,0,0,0|1,1,0]=4 18161 B13R1.2879 C[C@H](CO)Sc1ccc(c(c1)F)O 62a_100000185481_100016084084 [0,2,0,0,0,0|1,1,0]=4 18162 B13R1.2879 C[C@H](CO)Sc1ccc(c(c1)F)O 62a_100016084084_100000185481 [0,2,0,0,0,0|1,1,0]=4 18163 B13R1.2879 C[C@H](CO)Sc1ccc(c(c1)N)Br 62a_100000750456_100016084084 [0,2,0,0,0,0|0,2,0]=4 18164 B13R1.2879 C[C@H](CO)Sc1ccc(c(c1)N)Br 62a_100016084084_100000750456 [0,2,0,0,0,0|0,2,0]=4 18165 B13R1.2879 C[C@H](CO)Sc1ccc(c(c1)N)Cl 62a_100016084084_200000761891 [0,2,0,0,0,0|0,1,0]=3 18166 B13R1.2879 C[C@H](CO)Sc1ccc(c(c1)N)Cl 62a_200000761891_100016084084 [0,2,0,0,0,0|0,1,0]=3 18167 B13R1.2879 C[C@H](CO)Sc1ccc(c(c1)N)F 62a_100000740924_100016084084 [0,2,0,0,0,0|0,2,0]=4 18168 B13R1.2879 C[C@H](CO)Sc1ccc(c(c1)N)F 62a_100016084084_100000740924 [0,2,0,0,0,0|0,2,0]=4 18169 B13R1.2879 C[C@H](CO)Sc1ccc(c(c1)N)N 62a_100000741789_100016084084 [0,2,0,0,0,0|1,1,0]=4 18170 B13R1.2879 C[C@H](CO)Sc1ccc(c(c1)N)N 62a_100016084084_100011534411 [0,2,0,0,0,0|1,1,0]=4 18171 B13R1.2879 C[C@H](CO)Sc1ccc(c(c1)N)O 62a_100000752626_100016084084 [0,2,0,0,0,0|1,1,0]=4 18172 B13R1.2879 C[C@H](CO)Sc1ccc(c(c1)N)O 62a_100016084084_100000752626 [0,2,0,0,0,0|1,1,0]=4 18173 B13R1.2879 C[C@H](CO)Sc1ccc(c(c1)O)Br 62a_100012356990_100016084084 [0,2,0,0,0,0|0,2,0]=4 18174 B13R1.2879 C[C@H](CO)Sc1ccc(c(c1)O)Br 62a_100016084084_100012356990 [0,2,0,0,0,0|0,2,0]=4 18175 B13R1.2879 C[C@H](CO)Sc1ccc(c(c1)O)Cl 62a_100011356854_100016084084 [0,2,0,0,0,0|0,1,0]=3 18176 B13R1.2879 C[C@H](CO)Sc1ccc(c(c1)O)Cl 62a_100016084084_100011356854 [0,2,0,0,0,0|0,1,0]=3 18177 B13R1.2879 C[C@H](CO)Sc1ccc(c(c1)O)F 62a_100000686035_100016084084 [0,2,0,0,0,0|0,2,0]=4 18178 B13R1.2879 C[C@H](CO)Sc1ccc(c(c1)O)F 62a_100016084084_100000686035 [0,2,0,0,0,0|0,2,0]=4 18179 B13R1.2879 C[C@H](CO)Sc1ccc(c(c1)O)N 62a_100000739049_100016084084 [0,2,0,0,0,0|1,1,0]=4 18180 B13R1.2879 C[C@H](CO)Sc1ccc(c(c1)O)N 62a_100016084084_100000739049 [0,2,0,0,0,0|1,1,0]=4 18181 B13R1.2879 C[C@H](CO)Sc1ccc(c(c1)O)O 62a_100016084084_100009813601 [0,2,0,0,0,0|1,1,0]=4 18182 B13R1.2879 C[C@H](CO)Sc1cnc(c(c1)Br)Cl 62a_100010172733_100016084084 [0,2,0,0,0,0|1,1,0]=4 18183 B13R1.2879 C[C@H](CO)Sc1cnc(c(c1)Br)Cl 62a_100016084084_100010172733 [0,2,0,0,0,0|1,1,0]=4 18184 B13R1.2879 C[C@H](CO)Sc1cnc(c(c1)N)Cl 62a_100009828400_100016084084 [0,2,0,0,0,0|1,1,0]=4 18185 B13R1.2879 C[C@H](CO)Sc1cnc(c(c1)N)Cl 62a_100016084084_100009828400 [0,2,0,0,0,0|1,1,0]=4 18186 B13R1.2879 Cc1cc(ccc1Br)NC(C)CO 2230a_100000210723_100012180447 [0,2,0,0,0,0|1,1,0]=4 18187 B13R1.2879 Cc1cc(ccc1Br)NC(C)CO 34a_100000210723_100012180447 [0,2,0,0,0,0|1,1,0]=4 18188 B13R1.2879 Cc1cc(ccc1Br)NC(C)CO 7a_100000210723_100012180447 [0,2,0,0,0,0|1,1,0]=4 18189 B13R1.2879 Cc1cc(ccc1Br)OC(C)CO 34a_100000690111_100012180447 [0,2,0,0,0,0|0,1,0]=3 18190 B13R1.2879 Cc1cc(ccc1Br)OC(C)CO 7a_100000690111_100012180447 [0,2,0,0,0,0|0,1,0]=3 18191 B13R1.2879 Cc1cc(ccc1Br)SC(C)CO 62a_100012180447_100009813585 [0,2,0,0,0,0|0,2,0]=4 18192 B13R1.2879 Cc1cc(ccc1Br)S[C@H](C)CO 62a_100009813585_100016084084 [0,2,0,0,0,0|0,2,0]=4 18193 B13R1.2879 Cc1cc(ccc1Br)S[C@H](C)CO 62a_100016084084_100009813585 [0,2,0,0,0,0|0,2,0]=4 18194 B13R1.2879 Cc1cc(ccc1Cl)CC(=O)CO 1458a_100000210174_100012184735 [0,2,0,0,0,0|1,0,1]=4 18195 B13R1.2879 Cc1cc(ccc1Cl)NC(=O)CO 22a_100000187808_100000210174 [0,2,0,0,0,0|1,0,1]=4 18196 B13R1.2879 Cc1cc(ccc1Cl)NC(=O)CO 527a_100000187808_100000210174 [0,2,0,0,0,0|1,0,1]=4 18197 B13R1.2879 Cc1cc(ccc1Cl)NC(C)CO 2230a_100000187808_100012180447 [0,2,0,0,0,0|1,0,0]=3 18198 B13R1.2879 Cc1cc(ccc1Cl)NC(C)CO 34a_100000187808_100012180447 [0,2,0,0,0,0|1,0,0]=3 18199 B13R1.2879 Cc1cc(ccc1Cl)NC(C)CO 7a_100000187808_100012180447 [0,2,0,0,0,0|1,0,0]=3 18200 B13R1.2879 Cc1cc(ccc1Cl)OC(C)C#N 7a_100000211092_100000703298 [0,2,0,0,0,0|1,0,1]=4 18201 B13R1.2879 Cc1cc(ccc1Cl)OC(C)CO 34a_100000211092_100012180447 [0,2,0,0,0,0|0,0,0]=2 18202 B13R1.2879 Cc1cc(ccc1Cl)OC(C)CO 7a_100000211092_100012180447 [0,2,0,0,0,0|0,0,0]=2 18203 B13R1.2879 Cc1cc(ccc1Cl)SC(C)CO 62a_100012180447_100000049509 [0,2,0,0,0,0|0,1,0]=3 18204 B13R1.2879 Cc1cc(ccc1Cl)S[C@H](C)CO 62a_100000049509_100016084084 [0,2,0,0,0,0|0,1,0]=3 18205 B13R1.2879 Cc1cc(ccc1Cl)S[C@H](C)CO 62a_100016084084_100000049509 [0,2,0,0,0,0|0,1,0]=3 18206 B13R1.2879 Cc1cc(ccc1F)NC(C)CO 2230a_100000750164_100012180447 [0,2,0,0,0,0|1,1,0]=4 18207 B13R1.2879 Cc1cc(ccc1F)NC(C)CO 34a_100000750164_100012180447 [0,2,0,0,0,0|1,1,0]=4 18208 B13R1.2879 Cc1cc(ccc1F)NC(C)CO 7a_100000750164_100012180447 [0,2,0,0,0,0|1,1,0]=4 18209 B13R1.2879 Cc1cc(ccc1F)OC(C)CO 34a_100000751312_100012180447 [0,2,0,0,0,0|0,1,0]=3 18210 B13R1.2879 Cc1cc(ccc1F)OC(C)CO 7a_100000751312_100012180447 [0,2,0,0,0,0|0,1,0]=3 18211 B13R1.2879 Cc1cc(ccc1F)SC(C)CO 62a_100012180447_100011218330 [0,2,0,0,0,0|0,2,0]=4 18212 B13R1.2879 Cc1cc(ccc1F)S[C@H](C)CO 62a_100011218330_100016084084 [0,2,0,0,0,0|0,2,0]=4 18213 B13R1.2879 Cc1cc(ccc1F)S[C@H](C)CO 62a_100016084084_100011218330 [0,2,0,0,0,0|0,2,0]=4 18214 B13R1.2879 Cc1cc(ccc1I)NC(C)CO 34a_100000198070_100012180447 [0,2,0,0,0,0|1,1,0]=4 18215 B13R1.2879 Cc1cc(ccc1I)NC(C)CO 7a_100000198070_100012180447 [0,2,0,0,0,0|1,1,0]=4 18216 B13R1.2879 Cc1cc(ccc1I)OC(C)CO 34a_100000729255_100012180447 [0,2,0,0,0,0|0,1,0]=3 18217 B13R1.2879 Cc1cc(ccc1I)OC(C)CO 7a_100000729255_100012180447 [0,2,0,0,0,0|0,1,0]=3 18218 B13R1.2879 Cc1cc(ccc1N)OC(C)CO 34a_100000756630_100012180447 [0,2,0,0,0,0|1,0,0]=3 18219 B13R1.2879 Cc1cc(ccc1N)OC(C)CO 7a_100000756630_100012180447 [0,2,0,0,0,0|1,0,0]=3 18220 B13R1.2879 Cc1cc(ccc1N)SC(C)CO 62a_100012180447_100000211769 [0,2,0,0,0,0|1,1,0]=4 18221 B13R1.2879 Cc1cc(ccc1N)S[C@H](C)CO 62a_100000211769_100016084084 [0,2,0,0,0,0|1,1,0]=4 18222 B13R1.2879 Cc1cc(ccc1N)S[C@H](C)CO 62a_100016084084_100000211769 [0,2,0,0,0,0|1,1,0]=4 18223 B13R1.2879 Cc1cc(ccc1O)NC(C)CO 34a_100011218179_100012180447 [0,2,0,0,0,0|2,0,0]=4 18224 B13R1.2879 Cc1cc(ccc1O)NC(C)CO 7a_100011218179_100012180447 [0,2,0,0,0,0|2,0,0]=4 18225 B13R1.2879 Cc1cc(ccc1O)SC(C)CO 62a_100012180447_100000186361 [0,2,0,0,0,0|1,1,0]=4 18226 B13R1.2879 Cc1cc(ccc1O)S[C@H](C)CO 62a_100016084084_100000186361 [0,2,0,0,0,0|1,1,0]=4 18227 B13R1.2879 Cc1cc(cnc1Br)OC(C)CO 34a_100012000486_100012180447 [0,2,0,0,0,0|1,1,0]=4 18228 B13R1.2879 Cc1cc(cnc1Br)OC(C)CO 7a_100012000486_100012180447 [0,2,0,0,0,0|1,1,0]=4 18229 B13R1.2879 Cc1cc(cnc1C)OC(C)CO 34a_100009854398_100012180447 [0,2,0,0,0,0|2,0,0]=4 18230 B13R1.2879 Cc1cc(cnc1C)OC(C)CO 7a_100009854398_100012180447 [0,2,0,0,0,0|2,0,0]=4 18231 B13R1.2879 Cc1cc(cnc1Cl)OC(C)CO 34a_100012002680_100012180447 [0,2,0,0,0,0|1,0,0]=3 18232 B13R1.2879 Cc1cc(cnc1Cl)OC(C)CO 7a_100012002680_100012180447 [0,2,0,0,0,0|1,0,0]=3 18233 B13R1.2879 Cc1cc(cnc1Cl)SC(C)CO 62a_100012180447_100009922867 [0,2,0,0,0,0|1,1,0]=4 18234 B13R1.2879 Cc1cc(cnc1Cl)S[C@H](C)CO 62a_100009922867_100016084084 [0,2,0,0,0,0|1,1,0]=4 18235 B13R1.2879 Cc1cc(cnc1Cl)S[C@H](C)CO 62a_100016084084_100009922867 [0,2,0,0,0,0|1,1,0]=4 18236 B13R1.2879 Cc1cc(cnc1F)OC(C)CO 34a_100000094615_100012180447 [0,2,0,0,0,0|1,1,0]=4 18237 B13R1.2879 Cc1cc(cnc1F)OC(C)CO 7a_100000094615_100012180447 [0,2,0,0,0,0|1,1,0]=4 18238 B13R1.2879 Cc1cc(ncc1Br)OC(C)CO 34a_100000766222_100012180447 [0,2,0,0,0,0|1,1,0]=4 18239 B13R1.2879 Cc1cc(ncc1Cl)OC(C)CO 34a_200000085746_100012180447 [0,2,0,0,0,0|1,0,0]=3 18240 B13R1.2879 Cc1ccc(cc1Br)NC(C)CO 2230a_100000736455_100012180447 [0,2,0,0,0,0|2,0,0]=4 18241 B13R1.2879 Cc1ccc(cc1Br)NC(C)CO 34a_100000736455_100012180447 [0,2,0,0,0,0|2,0,0]=4 18242 B13R1.2879 Cc1ccc(cc1Br)NC(C)CO 7a_100000736455_100012180447 [0,2,0,0,0,0|2,0,0]=4 18243 B13R1.2879 Cc1ccc(cc1Br)OC(C)CO 34a_100011380479_100012180447 [0,2,0,0,0,0|1,0,0]=3 18244 B13R1.2879 Cc1ccc(cc1Br)OC(C)CO 7a_100011380479_100012180447 [0,2,0,0,0,0|1,0,0]=3 18245 B13R1.2879 Cc1ccc(cc1Br)SC(C)CO 62a_100012180447_100011847877 [0,2,0,0,0,0|1,1,0]=4 18246 B13R1.2879 Cc1ccc(cc1Br)S[C@H](C)CO 62a_100011847877_100016084084 [0,2,0,0,0,0|1,1,0]=4 18247 B13R1.2879 Cc1ccc(cc1Br)S[C@H](C)CO 62a_100016084084_100011847877 [0,2,0,0,0,0|1,1,0]=4 18248 B13R1.2879 Cc1ccc(cc1C)NC(C)CO 2230a_100000724040_100012180447 [0,2,0,0,0,0|2,0,0]=4 18249 B13R1.2879 Cc1ccc(cc1C)NC(C)CO 34a_100000724040_100012180447 [0,2,0,0,0,0|2,0,0]=4 18250 B13R1.2879 Cc1ccc(cc1C)NC(C)CO 7a_100000724040_100012180447 [0,2,0,0,0,0|2,0,0]=4 18251 B13R1.2879 Cc1ccc(cc1C)OC(C)CO 34a_100000210932_100012180447 [0,2,0,0,0,0|1,0,0]=3 18252 B13R1.2879 Cc1ccc(cc1C)OC(C)CO 7a_100000210932_100012180447 [0,2,0,0,0,0|1,0,0]=3 18253 B13R1.2879 Cc1ccc(cc1C)SC(C)CO 62a_100012180447_100011215607 [0,2,0,0,0,0|1,1,0]=4 18254 B13R1.2879 Cc1ccc(cc1C)S[C@H](C)CO 62a_100011215607_100016084084 [0,2,0,0,0,0|1,1,0]=4 18255 B13R1.2879 Cc1ccc(cc1C)S[C@H](C)CO 62a_100016084084_100011215607 [0,2,0,0,0,0|1,1,0]=4 18256 B13R1.2879 Cc1ccc(cc1Cl)NC(C)CO 2230a_100000188892_100012180447 [0,2,0,0,0,0|2,0,0]=4 18257 B13R1.2879 Cc1ccc(cc1Cl)NC(C)CO 34a_100000188892_100012180447 [0,2,0,0,0,0|2,0,0]=4 18258 B13R1.2879 Cc1ccc(cc1Cl)NC(C)CO 7a_100000188892_100012180447 [0,2,0,0,0,0|2,0,0]=4 18259 B13R1.2879 Cc1ccc(cc1Cl)OC(C)CO 34a_100011265682_100012180447 [0,2,0,0,0,0|1,0,0]=3 18260 B13R1.2879 Cc1ccc(cc1Cl)OC(C)CO 7a_100011265682_100012180447 [0,2,0,0,0,0|1,0,0]=3 18261 B13R1.2879 Cc1ccc(cc1Cl)SC(C)CO 62a_100012180447_100011216363 [0,2,0,0,0,0|1,1,0]=4 18262 B13R1.2879 Cc1ccc(cc1Cl)S[C@H](C)CO 62a_100011216363_100016084084 [0,2,0,0,0,0|1,1,0]=4 18263 B13R1.2879 Cc1ccc(cc1Cl)S[C@H](C)CO 62a_100016084084_100011216363 [0,2,0,0,0,0|1,1,0]=4 18264 B13R1.2879 Cc1ccc(cc1F)NC(C)CO 2230a_100000210958_100012180447 [0,2,0,0,0,0|2,0,0]=4 18265 B13R1.2879 Cc1ccc(cc1F)NC(C)CO 34a_100000210958_100012180447 [0,2,0,0,0,0|2,0,0]=4 18266 B13R1.2879 Cc1ccc(cc1F)NC(C)CO 7a_100000210958_100012180447 [0,2,0,0,0,0|2,0,0]=4 18267 B13R1.2879 Cc1ccc(cc1F)OC(C)CO 34a_100000722560_100012180447 [0,2,0,0,0,0|1,0,0]=3 18268 B13R1.2879 Cc1ccc(cc1F)OC(C)CO 7a_100000722560_100012180447 [0,2,0,0,0,0|1,0,0]=3 18269 B13R1.2879 Cc1ccc(cc1F)SC(C)CO 62a_100012180447_100000720648 [0,2,0,0,0,0|1,1,0]=4 18270 B13R1.2879 Cc1ccc(cc1F)S[C@H](C)CO 62a_100000720648_100016084084 [0,2,0,0,0,0|1,1,0]=4 18271 B13R1.2879 Cc1ccc(cc1F)S[C@H](C)CO 62a_100016084084_100000720648 [0,2,0,0,0,0|1,1,0]=4 18272 B13R1.2879 Cc1ccc(cc1I)NC(C)CO 34a_100000184131_100012180447 [0,2,0,0,0,0|2,0,0]=4 18273 B13R1.2879 Cc1ccc(cc1I)NC(C)CO 7a_100000184131_100012180447 [0,2,0,0,0,0|2,0,0]=4 18274 B13R1.2879 Cc1ccc(cc1N)OC(C)CO 34a_100011216113_100012180447 [0,2,0,0,0,0|1,0,0]=3 18275 B13R1.2879 Cc1ccc(cc1N)OC(C)CO 7a_100011216113_100012180447 [0,2,0,0,0,0|1,0,0]=3 18276 B13R1.2879 Cc1ccc(cc1N)SC(C)CO 62a_100012180447_100000761890 [0,2,0,0,0,0|1,1,0]=4 18277 B13R1.2879 Cc1ccc(cc1N)S[C@H](C)CO 62a_100000761890_100016084084 [0,2,0,0,0,0|1,1,0]=4 18278 B13R1.2879 Cc1ccc(cc1N)S[C@H](C)CO 62a_100016084084_100000761890 [0,2,0,0,0,0|1,1,0]=4 18279 B13R1.2879 Cc1ccc(cc1O)NC(C)CO 34a_100000759471_100012180447 [0,2,0,0,0,0|2,0,0]=4 18280 B13R1.2879 Cc1ccc(cc1O)NC(C)CO 7a_100000759471_100012180447 [0,2,0,0,0,0|2,0,0]=4 18281 B13R1.2879 Cc1ccc(cc1O)SC(C)CO 62a_100012180447_100000685420 [0,2,0,0,0,0|1,1,0]=4 18282 B13R1.2879 Cc1ccc(cc1O)S[C@H](C)CO 62a_100000685420_100016084084 [0,2,0,0,0,0|1,1,0]=4 18283 B13R1.2879 Cc1ccc(cc1O)S[C@H](C)CO 62a_100016084084_100000685420 [0,2,0,0,0,0|1,1,0]=4 18284 B13R1.2879 Cc1cnc(cc1Br)OC(C)CO 34a_100009831917_100012180447 [0,2,0,0,0,0|2,0,0]=4 18285 B13R1.2879 Cc1nc(ccc1Br)OC(C)CO 34a_100000691680_100012180447 [0,2,0,0,0,0|1,1,0]=4 18286 B13R1.2879 Cc1nc(ccc1Cl)OC(C)CO 34a_200009863735_100012180447 [0,2,0,0,0,0|1,0,0]=3 18287 B13R1.2879 Cc1ncc(cc1Br)OC(C)CO 34a_100009819603_100012180447 [0,2,0,0,0,0|2,0,0]=4 18288 B13R1.2879 Cc1ncc(cc1Br)OC(C)CO 7a_100009819603_100012180447 [0,2,0,0,0,0|2,0,0]=4 18289 B13R1.2879 O=C(CO)Cc1ccc(c(c1)Br)Cl 1458a_100000210174_100012353894 [0,2,0,0,0,0|1,0,1]=4 18290 B13R1.2879 O=C(CO)Cc1ccc(c(c1)Cl)Cl 1458a_100000210174_100000184707 [0,2,0,0,0,0|1,0,1]=4 18291 B13R1.2879 O=C(CO)Cc1ccc(c(c1)F)Cl 1458a_100000210174_100000716492 [0,2,0,0,0,0|1,0,1]=4 18292 B13R1.2879 O=C(CO)Nc1ccc(c(c1)Br)Cl 22a_100000686031_100000210174 [0,2,0,0,0,0|1,0,1]=4 18293 B13R1.2879 O=C(CO)Nc1ccc(c(c1)Br)Cl 527a_100000686031_100000210174 [0,2,0,0,0,0|1,0,1]=4 18294 B13R1.2879 O=C(CO)Nc1ccc(c(c1)Cl)Cl 22a_100000184108_100000210174 [0,2,0,0,0,0|1,0,1]=4 18295 B13R1.2879 O=C(CO)Nc1ccc(c(c1)Cl)Cl 527a_100000184108_100000210174 [0,2,0,0,0,0|1,0,1]=4 18296 B13R1.2879 O=C(CO)Nc1ccc(c(c1)F)Cl 22a_100000739366_100000210174 [0,2,0,0,0,0|1,0,1]=4 18297 B13R1.2879 O=C(CO)Nc1ccc(c(c1)I)Cl 22a_100012360549_100000210174 [0,2,0,0,0,0|1,0,1]=4 18298 B13R1.2879 O=C(CO)Nc1ccc(c(c1)I)Cl 527a_100012360549_100000210174 [0,2,0,0,0,0|1,0,1]=4 18299 B13R1.2879 O=C(CO)Nc1ccc(c(c1)O)Cl 22a_100011934209_100000210174 [0,2,0,0,0,0|1,0,1]=4 18300 B13R1.73 C#CCOc1ccc(cc1C#N)Cl 34a_100011219380_100000184674 [0,2,0,0,0,0|1,0,1]=4 18301 B13R1.73 C#CCOc1ccc(cc1C#N)Cl 7a_100011219380_100000038162 [0,2,0,0,0,0|1,0,1]=4 18302 B13R1.73 C#CCOc1ccc(cc1CN)Cl 34a_100000238540_100000184674 [0,2,0,0,0,0|1,0,1]=4 18303 B13R1.73 C#CCOc1ccc(cc1CO)Cl 34a_100011218961_100000184674 [0,2,0,0,0,0|1,0,1]=4 18304 B13R1.73 C#CCOc1ccc(cc1CO)Cl 7a_100011218961_100000038162 [0,2,0,0,0,0|1,0,1]=4 18305 B13R1.73 C#CCOc1ccc(cc1OC)Cl 34a_100000033002_100000184674 [0,2,0,0,0,0|1,0,1]=4 18306 B13R1.73 C#Cc1cc(ccc1NCCO)C 34a_200012001881_100000211926 [0,2,0,0,0,0|2,0,0]=4 18307 B13R1.73 C=CCOc1ccc(cc1C#N)Cl 34a_100011219380_100015514636 [0,2,0,0,0,0|1,0,1]=4 18308 B13R1.73 C=CCOc1ccc(cc1C#N)Cl 7a_100011219380_100015514636 [0,2,0,0,0,0|1,0,1]=4 18309 B13R1.73 C=CCOc1ccc(cc1CN)Cl 34a_100000238540_100015514636 [0,2,0,0,0,0|1,0,1]=4 18310 B13R1.73 C=CCOc1ccc(cc1CO)Cl 34a_100011218961_100015514636 [0,2,0,0,0,0|1,0,1]=4 18311 B13R1.73 C=CCOc1ccc(cc1CO)Cl 7a_100011218961_100015514636 [0,2,0,0,0,0|1,0,1]=4 18312 B13R1.73 C=CCOc1ccc(cc1OC)Cl 34a_100000033002_100015514636 [0,2,0,0,0,0|1,0,1]=4 18313 B13R1.73 C=Cc1cc(ccc1OCCC)F 271570a_100011290941_200000171698 [0,2,0,0,0,0|1,1,0]=4 18314 B13R1.73 C=Cc1cc(ccc1OCCN)C 271570a_100011290941_100025744979 [0,2,0,0,0,0|2,0,0]=4 18315 B13R1.73 C=Cc1cc(ccc1SCCO)F 62a_100000211926_100012356183 [0,2,0,0,0,0|0,2,0]=4 18316 B13R1.73 C=Cc1cc(ccc1SCCO)F 62a_100012356183_100000211926 [0,2,0,0,0,0|0,2,0]=4 18317 B13R1.73 CCCCc1ccc(cc1C#N)Cl 271570a_100020621405_200011356825 [0,2,0,0,0,0|2,0,0]=4 18318 B13R1.73 CCCCc1ccc(cc1C=O)Cl 271570a_100020621405_100010254386 [0,2,0,0,0,0|2,0,0]=4 18319 B13R1.73 CCCCc1ccc(cc1OC)Cl 271570a_100020621405_100000050115 [0,2,0,0,0,0|2,0,0]=4 18320 B13R1.73 CCCNc1ccc(cc1C#N)Cl 7a_100011219925_100000210303 [0,2,0,0,0,0|2,0,0]=4 18321 B13R1.73 CCCNc1ccc(cc1CC)Cl 2230a_100012017146_100000210303 [0,2,0,0,0,0|2,0,0]=4 18322 B13R1.73 CCCNc1ccc(cc1CC)Cl 34a_100012017146_100000210303 [0,2,0,0,0,0|2,0,0]=4 18323 B13R1.73 CCCNc1ccc(cc1CC)Cl 7a_100012017146_100000210303 [0,2,0,0,0,0|2,0,0]=4 18324 B13R1.73 CCCNc1ccc(cc1CO)Cl 34a_100011214999_100000210303 [0,2,0,0,0,0|2,0,0]=4 18325 B13R1.73 CCCNc1ccc(cc1OC)Cl 34a_100000707585_100000210303 [0,2,0,0,0,0|2,0,0]=4 18326 B13R1.73 CCCOc1ccc(cc1C#N)Br 34a_100000687585_100000210303 [0,2,0,0,0,0|1,1,0]=4 18327 B13R1.73 CCCOc1ccc(cc1C#N)Br 7a_100000687585_100000210303 [0,2,0,0,0,0|1,1,0]=4 18328 B13R1.73 CCCOc1ccc(cc1C#N)C 34a_200012180384_100000210303 [0,2,0,0,0,0|2,0,0]=4 18329 B13R1.73 CCCOc1ccc(cc1C#N)C 7a_200012180384_100000210303 [0,2,0,0,0,0|2,0,0]=4 18330 B13R1.73 CCCOc1ccc(cc1C#N)Cl 34a_100011219380_100000210303 [0,2,0,0,0,0|1,0,0]=3 18331 B13R1.73 CCCOc1ccc(cc1C#N)Cl 7a_100011219380_100000210303 [0,2,0,0,0,0|1,0,0]=3 18332 B13R1.73 CCCOc1ccc(cc1C#N)F 34a_100011900173_100000210303 [0,2,0,0,0,0|1,1,0]=4 18333 B13R1.73 CCCOc1ccc(cc1C#N)F 7a_100011900173_100000210303 [0,2,0,0,0,0|1,1,0]=4 18334 B13R1.73 CCCOc1ccc(cc1C#N)I 34a_200000049958_100000210303 [0,2,0,0,0,0|1,1,0]=4 18335 B13R1.73 CCCOc1ccc(cc1C#N)I 7a_200000049958_100000210303 [0,2,0,0,0,0|1,1,0]=4 18336 B13R1.73 CCCOc1ccc(cc1C#N)N 34a_100011249283_100000210303 [0,2,0,0,0,0|2,0,0]=4 18337 B13R1.73 CCCOc1ccc(cc1C#N)N 7a_100011249283_100000210303 [0,2,0,0,0,0|2,0,0]=4 18338 B13R1.73 CCCOc1ccc(cc1C#N)O 271570a_203496583355_100000689707 [0,2,0,0,0,0|2,0,0]=4 18339 B13R1.73 CCCOc1ccc(cc1C=O)O 271570a_203496583355_100000170029 [0,2,0,0,0,0|2,0,0]=4 18340 B13R1.73 CCCOc1ccc(cc1CBr)F 34a_100010161318_100000210303 [0,2,0,0,0,0|1,1,0]=4 18341 B13R1.73 CCCOc1ccc(cc1CBr)F 7a_100010161318_100000210303 [0,2,0,0,0,0|1,1,0]=4 18342 B13R1.73 CCCOc1ccc(cc1CC)Br 34a_100012338938_100000210303 [0,2,0,0,0,0|1,1,0]=4 18343 B13R1.73 CCCOc1ccc(cc1CC)Br 7a_100012338938_100000210303 [0,2,0,0,0,0|1,1,0]=4 18344 B13R1.73 CCCOc1ccc(cc1CC)C 34a_100009844793_100000210303 [0,2,0,0,0,0|2,0,0]=4 18345 B13R1.73 CCCOc1ccc(cc1CC)C 7a_100009844793_100000210303 [0,2,0,0,0,0|2,0,0]=4 18346 B13R1.73 CCCOc1ccc(cc1CC)F 34a_200000035566_100000210303 [0,2,0,0,0,0|1,1,0]=4 18347 B13R1.73 CCCOc1ccc(cc1CC)F 7a_200000035566_100000210303 [0,2,0,0,0,0|1,1,0]=4 18348 B13R1.73 CCCOc1ccc(cc1CN)Br 34a_100000730032_100000210303 [0,2,0,0,0,0|1,1,0]=4 18349 B13R1.73 CCCOc1ccc(cc1CN)Cl 34a_100000238540_100000210303 [0,2,0,0,0,0|1,0,0]=3 18350 B13R1.73 CCCOc1ccc(cc1CO)Br 34a_100000184703_100000210303 [0,2,0,0,0,0|1,1,0]=4 18351 B13R1.73 CCCOc1ccc(cc1CO)Br 7a_100000184703_100000210303 [0,2,0,0,0,0|1,1,0]=4 18352 B13R1.73 CCCOc1ccc(cc1CO)C 34a_200011846009_100000210303 [0,2,0,0,0,0|2,0,0]=4 18353 B13R1.73 CCCOc1ccc(cc1CO)C 7a_200011846009_100000210303 [0,2,0,0,0,0|2,0,0]=4 18354 B13R1.73 CCCOc1ccc(cc1CO)Cl 34a_100011218961_100000210303 [0,2,0,0,0,0|1,0,0]=3 18355 B13R1.73 CCCOc1ccc(cc1CO)Cl 7a_100011218961_100000210303 [0,2,0,0,0,0|1,0,0]=3 18356 B13R1.73 CCCOc1ccc(cc1CO)F 34a_100011291448_100000210303 [0,2,0,0,0,0|1,1,0]=4 18357 B13R1.73 CCCOc1ccc(cc1CO)F 7a_100011291448_100000210303 [0,2,0,0,0,0|1,1,0]=4 18358 B13R1.73 CCCOc1ccc(cc1CO)I 34a_100000049520_100000210303 [0,2,0,0,0,0|1,1,0]=4 18359 B13R1.73 CCCOc1ccc(cc1CO)I 7a_100000049520_100000210303 [0,2,0,0,0,0|1,1,0]=4 18360 B13R1.73 CCCOc1ccc(cc1CO)O 271570a_203496583355_100000701504 [0,2,0,0,0,0|2,0,0]=4 18361 B13R1.73 CCCOc1ccc(cc1NC)Cl 34a_100000742233_200000210301 [0,2,0,0,0,0|1,0,0]=3 18362 B13R1.73 CCCOc1ccc(cc1NC)Cl 7a_100000742233_200000210301 [0,2,0,0,0,0|1,0,0]=3 18363 B13R1.73 CCCOc1ccc(cc1NC)F 27a_100102657272_200000171698 [0,2,0,0,0,0|1,1,0]=4 18364 B13R1.73 CCCOc1ccc(cc1N[13CH3])Cl 34a_100000742233_200025704644 [0,2,0,0,0,0|1,0,0]=3 18365 B13R1.73 CCCOc1ccc(cc1N[13CH3])Cl 7a_100000742233_200025704644 [0,2,0,0,0,0|1,0,0]=3 18366 B13R1.73 CCCOc1ccc(cc1OC)Br 34a_100000694246_100000210303 [0,2,0,0,0,0|1,1,0]=4 18367 B13R1.73 CCCOc1ccc(cc1OC)Br 7a_100000694246_100000210303 [0,2,0,0,0,0|1,1,0]=4 18368 B13R1.73 CCCOc1ccc(cc1OC)C 34a_100000186466_100000210303 [0,2,0,0,0,0|2,0,0]=4 18369 B13R1.73 CCCOc1ccc(cc1OC)Cl 34a_100000033002_100000210303 [0,2,0,0,0,0|1,0,0]=3 18370 B13R1.73 CCCOc1ccc(cc1OC)F 34a_100000036057_100000210303 [0,2,0,0,0,0|1,1,0]=4 18371 B13R1.73 CCCOc1ccc(cc1OC)F 7a_100000036057_100000210303 [0,2,0,0,0,0|1,1,0]=4 18372 B13R1.73 CCCOc1ccc(cc1OC)I 34a_100000049635_100000210303 [0,2,0,0,0,0|1,1,0]=4 18373 B13R1.73 CCCOc1ccc(cc1OC)N 34a_100000726020_100000210303 [0,2,0,0,0,0|2,0,0]=4 18374 B13R1.73 CCCOc1ccc(cc1SC)F 62a_200000171698_200000210301 [0,2,0,0,0,0|1,1,0]=4 18375 B13R1.73 CCCOc1ccc(cc1SC)F 62a_200000210301_200000171698 [0,2,0,0,0,0|1,1,0]=4 18376 B13R1.73 CCCOc1ccc(cc1S[13CH3])F 62a_200000171698_200025704644 [0,2,0,0,0,0|1,1,0]=4 18377 B13R1.73 CCCOc1ccc(cc1S[13CH3])F 62a_200025704644_200000171698 [0,2,0,0,0,0|1,1,0]=4 18378 B13R1.73 CCCOc1ncc(cc1OC)Cl 34a_200009845368_100000210303 [0,2,0,0,0,0|2,0,0]=4 18379 B13R1.73 CCCSc1ccc(cc1C#N)Cl 62a_100000210303_200011356825 [0,2,0,0,0,0|1,1,0]=4 18380 B13R1.73 CCCSc1ccc(cc1C=O)Cl 62a_100000210303_100010254386 [0,2,0,0,0,0|1,1,0]=4 18381 B13R1.73 CCCSc1ccc(cc1C=O)Cl 62a_100010254386_100000210303 [0,2,0,0,0,0|1,1,0]=4 18382 B13R1.73 CCCSc1ccc(cc1OC)Cl 62a_100000050115_100000210303 [0,2,0,0,0,0|1,1,0]=4 18383 B13R1.73 CCCSc1ccc(cc1OC)Cl 62a_100000210303_100000050115 [0,2,0,0,0,0|1,1,0]=4 18384 B13R1.73 CCc1cc(ccc1NCCF)Cl 2230a_100012017146_100011217306 [0,2,0,0,0,0|2,0,0]=4 18385 B13R1.73 CCc1cc(ccc1NCCF)Cl 34a_100012017146_100011217306 [0,2,0,0,0,0|2,0,0]=4 18386 B13R1.73 CCc1cc(ccc1NCCF)Cl 7a_100012017146_100011217306 [0,2,0,0,0,0|2,0,0]=4 18387 B13R1.73 CCc1cc(ccc1NCCO)Br 2230a_100000686106_100000211926 [0,2,0,0,0,0|1,1,0]=4 18388 B13R1.73 CCc1cc(ccc1NCCO)Br 34a_100000686106_100000211926 [0,2,0,0,0,0|1,1,0]=4 18389 B13R1.73 CCc1cc(ccc1NCCO)Br 7a_100000686106_100000211926 [0,2,0,0,0,0|1,1,0]=4 18390 B13R1.73 CCc1cc(ccc1NCCO)Cl 2230a_100012017146_100000211926 [0,2,0,0,0,0|1,0,0]=3 18391 B13R1.73 CCc1cc(ccc1NCCO)Cl 34a_100012017146_100000211926 [0,2,0,0,0,0|1,0,0]=3 18392 B13R1.73 CCc1cc(ccc1NCCO)Cl 7a_100012017146_100000211926 [0,2,0,0,0,0|1,0,0]=3 18393 B13R1.73 CCc1cc(ccc1NCCO)I 2230a_100000014069_100000211926 [0,2,0,0,0,0|1,1,0]=4 18394 B13R1.73 CCc1cc(ccc1NCCO)I 34a_100000014069_100000211926 [0,2,0,0,0,0|1,1,0]=4 18395 B13R1.73 CCc1cc(ccc1NCCO)I 7a_100000014069_100000211926 [0,2,0,0,0,0|1,1,0]=4 18396 B13R1.73 CCc1cc(ccc1OCCF)Br 34a_100012338938_100011217306 [0,2,0,0,0,0|1,1,0]=4 18397 B13R1.73 CCc1cc(ccc1OCCF)Br 7a_100012338938_100011217306 [0,2,0,0,0,0|1,1,0]=4 18398 B13R1.73 CCc1cc(ccc1OCCF)C 34a_100009844793_100011217306 [0,2,0,0,0,0|2,0,0]=4 18399 B13R1.73 CCc1cc(ccc1OCCF)C 7a_100009844793_100011217306 [0,2,0,0,0,0|2,0,0]=4 18400 B13R1.73 CCc1cc(ccc1OCCF)F 34a_200000035566_100011217306 [0,2,0,0,0,0|1,1,0]=4 18401 B13R1.73 CCc1cc(ccc1OCCF)F 7a_200000035566_100011217306 [0,2,0,0,0,0|1,1,0]=4 18402 B13R1.73 CCc1cc(ccc1OCCO)Br 34a_100012338938_100000211926 [0,2,0,0,0,0|0,1,0]=3 18403 B13R1.73 CCc1cc(ccc1OCCO)Br 7a_100012338938_100000211926 [0,2,0,0,0,0|0,1,0]=3 18404 B13R1.73 CCc1cc(ccc1OCCO)C 34a_100009844793_100000211926 [0,2,0,0,0,0|1,0,0]=3 18405 B13R1.73 CCc1cc(ccc1OCCO)C 7a_100009844793_100000211926 [0,2,0,0,0,0|1,0,0]=3 18406 B13R1.73 CCc1cc(ccc1OCCO)F 34a_200000035566_100000211926 [0,2,0,0,0,0|0,1,0]=3 18407 B13R1.73 CCc1cc(ccc1OCCO)F 7a_200000035566_100000211926 [0,2,0,0,0,0|0,1,0]=3 18408 B13R1.73 CCc1cc(ccc1SCCO)Br 62a_100000211926_100011216195 [0,2,0,0,0,0|0,2,0]=4 18409 B13R1.73 CCc1cc(ccc1SCCO)Br 62a_100011216195_100000211926 [0,2,0,0,0,0|0,2,0]=4 18410 B13R1.73 CCc1cc(ccc1SCCO)N 62a_100000211926_100010109747 [0,2,0,0,0,0|1,1,0]=4 18411 B13R1.73 CCc1cc(ccc1SCCO)N 62a_100010109747_100000211926 [0,2,0,0,0,0|1,1,0]=4 18412 B13R1.73 CCc1nc(ccc1OCCO)C 34a_100000718140_100000211926 [0,2,0,0,0,0|2,0,0]=4 18413 B13R1.73 CCc1nc(ccc1OCCO)C 7a_100000718140_100000211926 [0,2,0,0,0,0|2,0,0]=4 18414 B13R1.73 CNc1cc(ccc1SCCO)F 62a_100000211926_100020633008 [0,2,0,0,0,0|0,2,0]=4 18415 B13R1.73 CNc1cc(ccc1SCCO)F 62a_100020633008_100000211926 [0,2,0,0,0,0|0,2,0]=4 18416 B13R1.73 COc1cc(ccc1NCCF)Cl 34a_100000707585_100011217306 [0,2,0,0,0,0|2,0,0]=4 18417 B13R1.73 COc1cc(ccc1NCCO)Br 34a_100011279103_100000211926 [0,2,0,0,0,0|1,1,0]=4 18418 B13R1.73 COc1cc(ccc1NCCO)C 2230a_100000746441_100000211926 [0,2,0,0,0,0|2,0,0]=4 18419 B13R1.73 COc1cc(ccc1NCCO)C 34a_100000746441_100000211926 [0,2,0,0,0,0|2,0,0]=4 18420 B13R1.73 COc1cc(ccc1NCCO)Cl 34a_100000707585_100000211926 [0,2,0,0,0,0|1,0,0]=3 18421 B13R1.73 COc1cc(ccc1NCCO)F 34a_100000737216_100000211926 [0,2,0,0,0,0|1,1,0]=4 18422 B13R1.73 COc1cc(ccc1NCCO)I 34a_100015196925_100000211926 [0,2,0,0,0,0|1,1,0]=4 18423 B13R1.73 COc1cc(ccc1NCCO)O 34a_100015326901_100000211926 [0,2,0,0,0,0|2,0,0]=4 18424 B13R1.73 COc1cc(ccc1OCC=O)Cl 34a_100000033002_200009817547 [0,2,0,0,0,0|0,0,2]=4 18425 B13R1.73 COc1cc(ccc1OCCF)Br 34a_100000694246_100011217306 [0,2,0,0,0,0|1,1,0]=4 18426 B13R1.73 COc1cc(ccc1OCCF)Br 7a_100000694246_100011217306 [0,2,0,0,0,0|1,1,0]=4 18427 B13R1.73 COc1cc(ccc1OCCF)C 34a_100000186466_100011217306 [0,2,0,0,0,0|2,0,0]=4 18428 B13R1.73 COc1cc(ccc1OCCF)Cl 34a_100000033002_100011217306 [0,2,0,0,0,0|1,0,0]=3 18429 B13R1.73 COc1cc(ccc1OCCF)F 34a_100000036057_100011217306 [0,2,0,0,0,0|1,1,0]=4 18430 B13R1.73 COc1cc(ccc1OCCF)F 7a_100000036057_100011217306 [0,2,0,0,0,0|1,1,0]=4 18431 B13R1.73 COc1cc(ccc1OCCF)I 34a_100000049635_100011217306 [0,2,0,0,0,0|1,1,0]=4 18432 B13R1.73 COc1cc(ccc1OCCF)N 34a_100000726020_100011217306 [0,2,0,0,0,0|2,0,0]=4 18433 B13R1.73 COc1cc(ccc1OCCO)Br 34a_100000694246_100000211926 [0,2,0,0,0,0|0,1,0]=3 18434 B13R1.73 COc1cc(ccc1OCCO)Br 7a_100000694246_100000211926 [0,2,0,0,0,0|0,1,0]=3 18435 B13R1.73 COc1cc(ccc1OCCO)C 34a_100000186466_100000211926 [0,2,0,0,0,0|1,0,0]=3 18436 B13R1.73 COc1cc(ccc1OCCO)Cl 34a_100000033002_100000211926 [0,2,0,0,0,0|0,0,0]=2 18437 B13R1.73 COc1cc(ccc1OCCO)F 34a_100000036057_100000211926 [0,2,0,0,0,0|0,1,0]=3 18438 B13R1.73 COc1cc(ccc1OCCO)F 7a_100000036057_100000211926 [0,2,0,0,0,0|0,1,0]=3 18439 B13R1.73 COc1cc(ccc1OCCO)I 34a_100000049635_100000211926 [0,2,0,0,0,0|0,1,0]=3 18440 B13R1.73 COc1cc(ccc1OCCO)N 34a_100000726020_100000211926 [0,2,0,0,0,0|1,0,0]=3 18441 B13R1.73 COc1cc(ccc1OCCO)O 271570a_203496583355_100012347953 [0,2,0,0,0,0|1,0,0]=3 18442 B13R1.73 COc1cc(ccc1OCSC)Cl 34a_100000033002_100011218213 [0,2,0,0,0,0|2,0,0]=4 18443 B13R1.73 COc1cc(ccc1SCCF)Cl 62a_100000050115_100011217306 [0,2,0,0,0,0|1,1,0]=4 18444 B13R1.73 COc1cc(ccc1SCCF)Cl 62a_100011217306_100000050115 [0,2,0,0,0,0|1,1,0]=4 18445 B13R1.73 COc1cc(ccc1SCCO)Br 62a_100000211926_100010245111 [0,2,0,0,0,0|0,2,0]=4 18446 B13R1.73 COc1cc(ccc1SCCO)Br 62a_100010245111_100000211926 [0,2,0,0,0,0|0,2,0]=4 18447 B13R1.73 COc1cc(ccc1SCCO)C 62a_100000211926_100010200004 [0,2,0,0,0,0|1,1,0]=4 18448 B13R1.73 COc1cc(ccc1SCCO)C 62a_100010200004_100000211926 [0,2,0,0,0,0|1,1,0]=4 18449 B13R1.73 COc1cc(ccc1SCCO)Cl 62a_100000050115_100000211926 [0,2,0,0,0,0|0,1,0]=3 18450 B13R1.73 COc1cc(ccc1SCCO)Cl 62a_100000211926_100000050115 [0,2,0,0,0,0|0,1,0]=3 18451 B13R1.73 COc1cc(ccc1SCCO)F 62a_100000211926_100000757151 [0,2,0,0,0,0|0,2,0]=4 18452 B13R1.73 COc1cc(ccc1SCCO)F 62a_100000757151_100000211926 [0,2,0,0,0,0|0,2,0]=4 18453 B13R1.73 COc1cc(ccc1SCCO)N 62a_100000211926_100000765947 [0,2,0,0,0,0|1,1,0]=4 18454 B13R1.73 COc1cc(ccc1SCCO)N 62a_100000765947_100000211926 [0,2,0,0,0,0|1,1,0]=4 18455 B13R1.73 COc1cc(ccc1SCCO)O 62a_100000211926_100011827694 [0,2,0,0,0,0|1,1,0]=4 18456 B13R1.73 COc1cc(cnc1OCCF)Cl 34a_200009845368_100011217306 [0,2,0,0,0,0|2,0,0]=4 18457 B13R1.73 COc1cc(cnc1OCCO)Cl 34a_200009845368_100000211926 [0,2,0,0,0,0|1,0,0]=3 18458 B13R1.73 COc1cc(ncc1SCCO)Cl 62a_100000211926_100010154656 [0,2,0,0,0,0|1,1,0]=4 18459 B13R1.73 COc1cc(ncc1SCCO)Cl 62a_100010154656_100000211926 [0,2,0,0,0,0|1,1,0]=4 18460 B13R1.73 COc1nc(ccc1OCCO)Br 34a_100010893133_100000211926 [0,2,0,0,0,0|1,1,0]=4 18461 B13R1.73 CSCOc1ccc(cc1C#N)Cl 34a_100011219380_100011218213 [0,2,0,0,0,0|2,0,0]=4 18462 B13R1.73 CSCOc1ccc(cc1CN)Cl 34a_100000238540_100011218213 [0,2,0,0,0,0|2,0,0]=4 18463 B13R1.73 CSCOc1ccc(cc1CO)Cl 34a_100011218961_100011218213 [0,2,0,0,0,0|2,0,0]=4 18464 B13R1.73 CSc1cc(ccc1OCCN)C 62a_100025744979_200000210301 [0,2,0,0,0,0|2,0,0]=4 18465 B13R1.73 CSc1cc(ccc1OCCN)C 62a_200000210301_100025744979 [0,2,0,0,0,0|2,0,0]=4 18466 B13R1.73 CSc1cc(ccc1SCCO)C 62a_100000211926_200010709736 [0,2,0,0,0,0|1,1,0]=4 18467 B13R1.73 CSc1cc(ccc1SCCO)C 62a_200010709736_100000211926 [0,2,0,0,0,0|1,1,0]=4 18468 B13R1.73 Cc1ccc(c(c1)C#N)NCCO 7a_100011934023_100000211926 [0,2,0,0,0,0|2,0,0]=4 18469 B13R1.73 Cc1ccc(c(c1)C#N)OCCF 34a_200012180384_100011217306 [0,2,0,0,0,0|2,0,0]=4 18470 B13R1.73 Cc1ccc(c(c1)C#N)OCCF 7a_200012180384_100011217306 [0,2,0,0,0,0|2,0,0]=4 18471 B13R1.73 Cc1ccc(c(c1)C#N)OCCO 34a_200012180384_100000211926 [0,2,0,0,0,0|1,0,0]=3 18472 B13R1.73 Cc1ccc(c(c1)C#N)OCCO 7a_200012180384_100000211926 [0,2,0,0,0,0|1,0,0]=3 18473 B13R1.73 Cc1ccc(c(c1)C#N)SCCO 62a_100000211926_100011935190 [0,2,0,0,0,0|1,1,0]=4 18474 B13R1.73 Cc1ccc(c(c1)C=O)SCCO 62a_100000211926_100011551863 [0,2,0,0,0,0|1,1,0]=4 18475 B13R1.73 Cc1ccc(c(c1)C=O)SCCO 62a_100011551863_100000211926 [0,2,0,0,0,0|1,1,0]=4 18476 B13R1.73 Cc1ccc(c(c1)CO)NCCO 34a_100011215565_100000211926 [0,2,0,0,0,0|2,0,0]=4 18477 B13R1.73 Cc1ccc(c(c1)CO)OCCF 34a_200011846009_100011217306 [0,2,0,0,0,0|2,0,0]=4 18478 B13R1.73 Cc1ccc(c(c1)CO)OCCF 7a_200011846009_100011217306 [0,2,0,0,0,0|2,0,0]=4 18479 B13R1.73 Cc1ccc(c(c1)CO)OCCO 34a_200011846009_100000211926 [0,2,0,0,0,0|1,0,0]=3 18480 B13R1.73 Cc1ccc(c(c1)CO)OCCO 7a_200011846009_100000211926 [0,2,0,0,0,0|1,0,0]=3 18481 B13R1.73 Cc1ccc(c(c1)CO)SCCO 62a_100000211926_100012361352 [0,2,0,0,0,0|1,1,0]=4 18482 B13R1.73 Cc1ccc(c(c1)CO)SCCO 62a_100012361352_100000211926 [0,2,0,0,0,0|1,1,0]=4 18483 B13R1.73 Cc1ccc(c(c1)S[13CH3])OCCN 62a_100025744979_200025704644 [0,2,0,0,0,0|2,0,0]=4 18484 B13R1.73 Cc1ccc(c(c1)S[13CH3])OCCN 62a_200025704644_100025744979 [0,2,0,0,0,0|2,0,0]=4 18485 B13R1.73 Cc1ccc(c(n1)CCl)OCCO 34a_100020630696_100000211926 [0,2,0,0,0,0|2,0,0]=4 18486 B13R1.73 Cc1ccc(c(n1)CCl)OCCO 7a_100020630696_100000211926 [0,2,0,0,0,0|2,0,0]=4 18487 B13R1.73 Cc1ccc(c(n1)CO)OCCO 34a_100000751967_100000211926 [0,2,0,0,0,0|2,0,0]=4 18488 B13R1.73 FCCOc1ccc(cc1CBr)F 34a_100010161318_100011217306 [0,2,0,0,0,0|1,1,0]=4 18489 B13R1.73 FCCOc1ccc(cc1CBr)F 7a_100010161318_100011217306 [0,2,0,0,0,0|1,1,0]=4 18490 B13R1.73 N#CCOc1ccc(cc1C#N)Cl 7a_100011219380_100011215382 [0,2,0,0,0,0|1,0,1]=4 18491 B13R1.73 N#CCOc1ccc(cc1CO)Cl 7a_100011218961_100011215382 [0,2,0,0,0,0|1,0,1]=4 18492 B13R1.73 N#Cc1cc(ccc1NCCF)Cl 7a_100011219925_100011217306 [0,2,0,0,0,0|2,0,0]=4 18493 B13R1.73 N#Cc1cc(ccc1NCCO)Br 27a_100000210304_100011219714 [0,2,0,0,0,0|1,1,0]=4 18494 B13R1.73 N#Cc1cc(ccc1NCCO)Br 7a_100000688460_100000211926 [0,2,0,0,0,0|1,1,0]=4 18495 B13R1.73 N#Cc1cc(ccc1NCCO)Cl 7a_100011219925_100000211926 [0,2,0,0,0,0|1,0,0]=3 18496 B13R1.73 N#Cc1cc(ccc1NCCO)F 34a_100000685569_100000211926 [0,2,0,0,0,0|1,1,0]=4 18497 B13R1.73 N#Cc1cc(ccc1NCCO)F 7a_100000685569_100000211926 [0,2,0,0,0,0|1,1,0]=4 18498 B13R1.73 N#Cc1cc(ccc1NCCO)I 7a_100000049818_100000211926 [0,2,0,0,0,0|1,1,0]=4 18499 B13R1.73 N#Cc1cc(ccc1OCC=O)Cl 34a_100011219380_200009817547 [0,2,0,0,0,0|0,0,2]=4 18500 B13R1.73 N#Cc1cc(ccc1OCC=O)Cl 7a_100011219380_200015260668 [0,2,0,0,0,0|0,0,2]=4 18501 B13R1.73 N#Cc1cc(ccc1OCCF)Br 34a_100000687585_100011217306 [0,2,0,0,0,0|1,1,0]=4 18502 B13R1.73 N#Cc1cc(ccc1OCCF)Br 7a_100000687585_100011217306 [0,2,0,0,0,0|1,1,0]=4 18503 B13R1.73 N#Cc1cc(ccc1OCCF)Cl 34a_100011219380_100011217306 [0,2,0,0,0,0|1,0,0]=3 18504 B13R1.73 N#Cc1cc(ccc1OCCF)Cl 7a_100011219380_100011217306 [0,2,0,0,0,0|1,0,0]=3 18505 B13R1.73 N#Cc1cc(ccc1OCCF)F 34a_100011900173_100011217306 [0,2,0,0,0,0|1,1,0]=4 18506 B13R1.73 N#Cc1cc(ccc1OCCF)F 7a_100011900173_100011217306 [0,2,0,0,0,0|1,1,0]=4 18507 B13R1.73 N#Cc1cc(ccc1OCCF)I 34a_200000049958_100011217306 [0,2,0,0,0,0|1,1,0]=4 18508 B13R1.73 N#Cc1cc(ccc1OCCF)I 7a_200000049958_100011217306 [0,2,0,0,0,0|1,1,0]=4 18509 B13R1.73 N#Cc1cc(ccc1OCCF)N 34a_100011249283_100011217306 [0,2,0,0,0,0|2,0,0]=4 18510 B13R1.73 N#Cc1cc(ccc1OCCF)N 7a_100011249283_100011217306 [0,2,0,0,0,0|2,0,0]=4 18511 B13R1.73 N#Cc1cc(ccc1OCCO)Br 34a_100000687585_100000211926 [0,2,0,0,0,0|0,1,0]=3 18512 B13R1.73 N#Cc1cc(ccc1OCCO)Br 7a_100000687585_100000211926 [0,2,0,0,0,0|0,1,0]=3 18513 B13R1.73 N#Cc1cc(ccc1OCCO)Cl 34a_100011219380_100000211926 [0,2,0,0,0,0|0,0,0]=2 18514 B13R1.73 N#Cc1cc(ccc1OCCO)Cl 7a_100011219380_100000211926 [0,2,0,0,0,0|0,0,0]=2 18515 B13R1.73 N#Cc1cc(ccc1OCCO)F 34a_100011900173_100000211926 [0,2,0,0,0,0|0,1,0]=3 18516 B13R1.73 N#Cc1cc(ccc1OCCO)F 7a_100011900173_100000211926 [0,2,0,0,0,0|0,1,0]=3 18517 B13R1.73 N#Cc1cc(ccc1OCCO)I 34a_200000049958_100000211926 [0,2,0,0,0,0|0,1,0]=3 18518 B13R1.73 N#Cc1cc(ccc1OCCO)I 7a_200000049958_100000211926 [0,2,0,0,0,0|0,1,0]=3 18519 B13R1.73 N#Cc1cc(ccc1OCCO)N 34a_100011249283_100000211926 [0,2,0,0,0,0|1,0,0]=3 18520 B13R1.73 N#Cc1cc(ccc1OCCO)N 7a_100011249283_100000211926 [0,2,0,0,0,0|1,0,0]=3 18521 B13R1.73 N#Cc1cc(ccc1SCCF)Cl 62a_100011217306_200011356825 [0,2,0,0,0,0|1,1,0]=4 18522 B13R1.73 N#Cc1cc(ccc1SCCO)Br 62a_100000211926_100011219714 [0,2,0,0,0,0|0,2,0]=4 18523 B13R1.73 N#Cc1cc(ccc1SCCO)Cl 62a_100000211926_200011356825 [0,2,0,0,0,0|0,1,0]=3 18524 B13R1.73 N#Cc1cc(ccc1SCCO)F 62a_100000211926_100000747550 [0,2,0,0,0,0|0,2,0]=4 18525 B13R1.73 N#Cc1cc(ccc1SCCO)N 62a_100000211926_100011934039 [0,2,0,0,0,0|1,1,0]=4 18526 B13R1.73 N#Cc1cc(ccc1SCCO)O 62a_100000211926_100009818209 [0,2,0,0,0,0|1,1,0]=4 18527 B13R1.73 NCc1cc(ccc1OCC=O)Cl 34a_100000238540_200009817547 [0,2,0,0,0,0|0,0,2]=4 18528 B13R1.73 NCc1cc(ccc1OCCF)Br 34a_100000730032_100011217306 [0,2,0,0,0,0|1,1,0]=4 18529 B13R1.73 NCc1cc(ccc1OCCF)Cl 34a_100000238540_100011217306 [0,2,0,0,0,0|1,0,0]=3 18530 B13R1.73 NCc1cc(ccc1OCCO)Br 34a_100000730032_100000211926 [0,2,0,0,0,0|0,1,0]=3 18531 B13R1.73 NCc1cc(ccc1OCCO)Cl 34a_100000238540_100000211926 [0,2,0,0,0,0|0,0,0]=2 18532 B13R1.73 NCc1cc(ccc1SCCO)F 62a_100000211926_100000742738 [0,2,0,0,0,0|0,2,0]=4 18533 B13R1.73 NCc1cc(ccc1SCCO)F 62a_100000742738_100000211926 [0,2,0,0,0,0|0,2,0]=4 18534 B13R1.73 NNc1cc(ccc1SCCO)F 62a_100000211926_100012362518 [0,2,0,0,0,0|0,2,0]=4 18535 B13R1.73 NNc1cc(ccc1SCCO)F 62a_100012362518_100000211926 [0,2,0,0,0,0|0,2,0]=4 18536 B13R1.73 Nc1ccc(c(c1)CO)SCCO 62a_100000211926_100012347228 [0,2,0,0,0,0|1,1,0]=4 18537 B13R1.73 Nc1ccc(c(c1)CO)SCCO 62a_100012347228_100000211926 [0,2,0,0,0,0|1,1,0]=4 18538 B13R1.73 O=CCOc1ccc(cc1CO)Cl 34a_100011218961_200009817547 [0,2,0,0,0,0|0,0,2]=4 18539 B13R1.73 O=CCOc1ccc(cc1CO)Cl 7a_100011218961_200015260668 [0,2,0,0,0,0|0,0,2]=4 18540 B13R1.73 O=Cc1cc(ccc1SCCF)Cl 62a_100010254386_100011217306 [0,2,0,0,0,0|1,1,0]=4 18541 B13R1.73 O=Cc1cc(ccc1SCCF)Cl 62a_100011217306_100010254386 [0,2,0,0,0,0|1,1,0]=4 18542 B13R1.73 O=Cc1cc(ccc1SCCO)Br 62a_100000211926_100010185651 [0,2,0,0,0,0|0,2,0]=4 18543 B13R1.73 O=Cc1cc(ccc1SCCO)Br 62a_100010185651_100000211926 [0,2,0,0,0,0|0,2,0]=4 18544 B13R1.73 O=Cc1cc(ccc1SCCO)Cl 62a_100000211926_100010254386 [0,2,0,0,0,0|0,1,0]=3 18545 B13R1.73 O=Cc1cc(ccc1SCCO)Cl 62a_100010254386_100000211926 [0,2,0,0,0,0|0,1,0]=3 18546 B13R1.73 O=Cc1cc(ccc1SCCO)F 62a_100000211926_100011218309 [0,2,0,0,0,0|0,2,0]=4 18547 B13R1.73 O=Cc1cc(ccc1SCCO)F 62a_100011218309_100000211926 [0,2,0,0,0,0|0,2,0]=4 18548 B13R1.73 O=Cc1cc(ccc1SCCO)O 62a_100000211926_100000690577 [0,2,0,0,0,0|1,1,0]=4 18549 B13R1.73 O=Cc1cc(ccc1SCCO)O 62a_100000690577_100000211926 [0,2,0,0,0,0|1,1,0]=4 18550 B13R1.73 OCCNc1ccc(cc1CO)Br 34a_100012353972_100000211926 [0,2,0,0,0,0|1,1,0]=4 18551 B13R1.73 OCCNc1ccc(cc1CO)Cl 34a_100011214999_100000211926 [0,2,0,0,0,0|1,0,0]=3 18552 B13R1.73 OCCNc1ccc(cc1CO)F 34a_100011296978_100000211926 [0,2,0,0,0,0|1,1,0]=4 18553 B13R1.73 OCCOc1ccc(cc1CBr)F 34a_100010161318_100000211926 [0,2,0,0,0,0|0,1,0]=3 18554 B13R1.73 OCCOc1ccc(cc1CBr)F 7a_100010161318_100000211926 [0,2,0,0,0,0|0,1,0]=3 18555 B13R1.73 OCCOc1ccc(cc1CO)Br 34a_100000184703_100000211926 [0,2,0,0,0,0|0,1,0]=3 18556 B13R1.73 OCCOc1ccc(cc1CO)Br 7a_100000184703_100000211926 [0,2,0,0,0,0|0,1,0]=3 18557 B13R1.73 OCCOc1ccc(cc1CO)Cl 34a_100011218961_100000211926 [0,2,0,0,0,0|0,0,0]=2 18558 B13R1.73 OCCOc1ccc(cc1CO)Cl 7a_100011218961_100000211926 [0,2,0,0,0,0|0,0,0]=2 18559 B13R1.73 OCCOc1ccc(cc1CO)F 34a_100011291448_100000211926 [0,2,0,0,0,0|0,1,0]=3 18560 B13R1.73 OCCOc1ccc(cc1CO)F 7a_100011291448_100000211926 [0,2,0,0,0,0|0,1,0]=3 18561 B13R1.73 OCCOc1ccc(cc1CO)I 34a_100000049520_100000211926 [0,2,0,0,0,0|0,1,0]=3 18562 B13R1.73 OCCOc1ccc(cc1CO)I 7a_100000049520_100000211926 [0,2,0,0,0,0|0,1,0]=3 18563 B13R1.73 OCCSc1ccc(cc1CO)Br 62a_100000211926_100011356890 [0,2,0,0,0,0|0,2,0]=4 18564 B13R1.73 OCCSc1ccc(cc1CO)Br 62a_100011356890_100000211926 [0,2,0,0,0,0|0,2,0]=4 18565 B13R1.73 OCCSc1ccc(cc1CO)F 62a_100000211926_100011217561 [0,2,0,0,0,0|0,2,0]=4 18566 B13R1.73 OCCSc1ccc(cc1CO)F 62a_100011217561_100000211926 [0,2,0,0,0,0|0,2,0]=4 18567 B13R1.73 OCCSc1ccc(cc1CO)O 62a_100000211926_100012351483 [0,2,0,0,0,0|1,1,0]=4 18568 B13R1.73 OCCSc1ccc(cc1CO)O 62a_100012351483_100000211926 [0,2,0,0,0,0|1,1,0]=4 18569 B13R1.73 OCc1cc(ccc1NCCF)Cl 34a_100011214999_100011217306 [0,2,0,0,0,0|2,0,0]=4 18570 B13R1.73 OCc1cc(ccc1OCCF)Br 34a_100000184703_100011217306 [0,2,0,0,0,0|1,1,0]=4 18571 B13R1.73 OCc1cc(ccc1OCCF)Br 7a_100000184703_100011217306 [0,2,0,0,0,0|1,1,0]=4 18572 B13R1.73 OCc1cc(ccc1OCCF)Cl 34a_100011218961_100011217306 [0,2,0,0,0,0|1,0,0]=3 18573 B13R1.73 OCc1cc(ccc1OCCF)Cl 7a_100011218961_100011217306 [0,2,0,0,0,0|1,0,0]=3 18574 B13R1.73 OCc1cc(ccc1OCCF)F 34a_100011291448_100011217306 [0,2,0,0,0,0|1,1,0]=4 18575 B13R1.73 OCc1cc(ccc1OCCF)F 7a_100011291448_100011217306 [0,2,0,0,0,0|1,1,0]=4 18576 B13R1.73 OCc1cc(ccc1OCCF)I 34a_100000049520_100011217306 [0,2,0,0,0,0|1,1,0]=4 18577 B13R1.73 OCc1cc(ccc1OCCF)I 7a_100000049520_100011217306 [0,2,0,0,0,0|1,1,0]=4 18578 B13R1.75 CCCOc1ccc(cc1Br)C#N 34a_100011216086_100000210303 [0,2,0,0,0,0|2,0,0]=4 18579 B13R1.75 CCCOc1ccc(cc1Br)C#N 7a_100011216086_100000210303 [0,2,0,0,0,0|2,0,0]=4 18580 B13R1.75 CCCOc1ccc(cc1Br)CC 34a_100012339963_100000210303 [0,2,0,0,0,0|2,0,0]=4 18581 B13R1.75 CCCOc1ccc(cc1Br)CC 7a_100012339963_100000210303 [0,2,0,0,0,0|2,0,0]=4 18582 B13R1.75 CCCOc1ccc(cc1Br)CO 34a_100011191544_100000210303 [0,2,0,0,0,0|2,0,0]=4 18583 B13R1.75 CCCOc1ccc(cc1Br)CO 7a_100011191544_100000210303 [0,2,0,0,0,0|2,0,0]=4 18584 B13R1.75 CCCOc1ccc(cc1Br)OC 34a_100000685887_100000210303 [0,2,0,0,0,0|2,0,0]=4 18585 B13R1.75 CCCOc1ccc(cc1Br)OC 7a_100000685887_100000210303 [0,2,0,0,0,0|2,0,0]=4 18586 B13R1.75 CCCOc1ccc(cc1C)C#N 34a_100000749339_100000210303 [0,2,0,0,0,0|2,0,0]=4 18587 B13R1.75 CCCOc1ccc(cc1C)C#N 7a_100000749339_100000210303 [0,2,0,0,0,0|2,0,0]=4 18588 B13R1.75 CCCOc1ccc(cc1C)CO 34a_100000075815_100000210303 [0,2,0,0,0,0|2,0,0]=4 18589 B13R1.75 CCCOc1ccc(cc1C)CO 7a_100000075815_100000210303 [0,2,0,0,0,0|2,0,0]=4 18590 B13R1.75 CCCOc1ccc(cc1C)OC 34a_100012002223_100000210303 [0,2,0,0,0,0|2,0,0]=4 18591 B13R1.75 CCCOc1ccc(cc1C)OC 7a_100012002223_100000210303 [0,2,0,0,0,0|2,0,0]=4 18592 B13R1.75 CCCOc1ccc(cc1Cl)C#N 34a_100000205955_100000210303 [0,2,0,0,0,0|2,0,0]=4 18593 B13R1.75 CCCOc1ccc(cc1Cl)C#N 7a_100000205955_100000210303 [0,2,0,0,0,0|2,0,0]=4 18594 B13R1.75 CCCOc1ccc(cc1Cl)NC 34a_100000742593_200000210301 [0,2,0,0,0,0|2,0,0]=4 18595 B13R1.75 CCCOc1ccc(cc1Cl)NC 7a_100000742593_200000210301 [0,2,0,0,0,0|2,0,0]=4 18596 B13R1.75 CCCOc1ccc(cc1Cl)N[13CH3] 34a_100000742593_200025704644 [0,2,0,0,0,0|2,0,0]=4 18597 B13R1.75 CCCOc1ccc(cc1Cl)N[13CH3] 7a_100000742593_200025704644 [0,2,0,0,0,0|2,0,0]=4 18598 B13R1.75 CCCOc1ccc(cc1Cl)OC 34a_100000038596_100000210303 [0,2,0,0,0,0|2,0,0]=4 18599 B13R1.75 CCCOc1ccc(cc1Cl)OC 7a_100000038596_100000210303 [0,2,0,0,0,0|2,0,0]=4 18600 B13R1.75 CCCOc1ccc(cc1F)C#N 34a_100000751310_100000210303 [0,2,0,0,0,0|2,0,0]=4 18601 B13R1.75 CCCOc1ccc(cc1F)C#N 7a_100000751310_100000210303 [0,2,0,0,0,0|2,0,0]=4 18602 B13R1.75 CCCOc1ccc(cc1F)CN 34a_100000758358_100000210303 [0,2,0,0,0,0|2,0,0]=4 18603 B13R1.75 CCCOc1ccc(cc1F)OC 34a_100000036999_100000210303 [0,2,0,0,0,0|2,0,0]=4 18604 B13R1.75 CCCOc1ccc(cc1F)OC 7a_100000036999_100000210303 [0,2,0,0,0,0|2,0,0]=4 18605 B13R1.75 CCCOc1ccc(cc1I)C#N 34a_100000725478_100000210303 [0,2,0,0,0,0|2,0,0]=4 18606 B13R1.75 CCCOc1ccc(cc1I)C#N 7a_100000725478_100000210303 [0,2,0,0,0,0|2,0,0]=4 18607 B13R1.75 CCCOc1ccc(cc1N)C#N 34a_100000766272_100000210303 [0,2,0,0,0,0|2,0,0]=4 18608 B13R1.75 CCCOc1ccc(cc1N)C#N 7a_100000766272_100000210303 [0,2,0,0,0,0|2,0,0]=4 18609 B13R1.75 CCCOc1ccc(cc1N)CC 34a_100000765835_100000210303 [0,2,0,0,0,0|2,0,0]=4 18610 B13R1.75 CCCOc1ccc(cc1N)CC 7a_100000765835_100000210303 [0,2,0,0,0,0|2,0,0]=4 18611 B13R1.75 CCCOc1ccc(cc1N)CO 34a_100000123545_100000210303 [0,2,0,0,0,0|2,0,0]=4 18612 B13R1.75 CCCOc1ccc(cc1N)OC 34a_100000188146_100000210303 [0,2,0,0,0,0|2,0,0]=4 18613 B13R1.75 CCCOc1ccc(cc1O)C=O 271570a_203496583355_100000173362 [0,2,0,0,0,0|2,0,0]=4 18614 B13R1.75 CCCOc1coc(cc1=O)CCl 34a_100000010605_100000210303 [0,2,0,0,0,0|2,0,0]=4 18615 B13R1.75 CCc1ccc(c(c1)Br)NCCO 2230a_100012339725_100000211926 [0,2,0,0,0,0|2,0,0]=4 18616 B13R1.75 CCc1ccc(c(c1)Br)NCCO 34a_100012339725_100000211926 [0,2,0,0,0,0|2,0,0]=4 18617 B13R1.75 CCc1ccc(c(c1)Br)OCCF 34a_100012339963_100011217306 [0,2,0,0,0,0|2,0,0]=4 18618 B13R1.75 CCc1ccc(c(c1)Br)OCCF 7a_100012339963_100011217306 [0,2,0,0,0,0|2,0,0]=4 18619 B13R1.75 CCc1ccc(c(c1)Br)OCCO 34a_100012339963_100000211926 [0,2,0,0,0,0|1,0,0]=3 18620 B13R1.75 CCc1ccc(c(c1)Br)OCCO 7a_100012339963_100000211926 [0,2,0,0,0,0|1,0,0]=3 18621 B13R1.75 CCc1ccc(c(c1)Br)SCCO 62a_100000211926_200009997437 [0,2,0,0,0,0|1,1,0]=4 18622 B13R1.75 CCc1ccc(c(c1)Br)SCCO 62a_200009997437_100000211926 [0,2,0,0,0,0|1,1,0]=4 18623 B13R1.75 CCc1ccc(c(c1)C)NCCO 2230a_100011226020_100000211926 [0,2,0,0,0,0|2,0,0]=4 18624 B13R1.75 CCc1ccc(c(c1)C)NCCO 34a_100011226020_100000211926 [0,2,0,0,0,0|2,0,0]=4 18625 B13R1.75 CCc1ccc(c(c1)C)NCCO 7a_100011226020_100000211926 [0,2,0,0,0,0|2,0,0]=4 18626 B13R1.75 CCc1ccc(c(c1)F)NCCO 2230a_100016177294_100000211926 [0,2,0,0,0,0|2,0,0]=4 18627 B13R1.75 CCc1ccc(c(c1)F)NCCO 34a_100016177294_100000211926 [0,2,0,0,0,0|2,0,0]=4 18628 B13R1.75 CCc1ccc(c(c1)F)SCCO 62a_100000211926_200010339503 [0,2,0,0,0,0|1,1,0]=4 18629 B13R1.75 CCc1ccc(c(c1)F)SCCO 62a_200010339503_100000211926 [0,2,0,0,0,0|1,1,0]=4 18630 B13R1.75 CCc1ccc(c(c1)N)OCCF 34a_100000765835_100011217306 [0,2,0,0,0,0|2,0,0]=4 18631 B13R1.75 CCc1ccc(c(c1)N)OCCF 7a_100000765835_100011217306 [0,2,0,0,0,0|2,0,0]=4 18632 B13R1.75 CCc1ccc(c(c1)N)OCCO 34a_100000765835_100000211926 [0,2,0,0,0,0|1,0,0]=3 18633 B13R1.75 CCc1ccc(c(c1)N)OCCO 7a_100000765835_100000211926 [0,2,0,0,0,0|1,0,0]=3 18634 B13R1.75 CCc1ccc(c(c1)O)NCCO 34a_100000124328_100000211926 [0,2,0,0,0,0|2,0,0]=4 18635 B13R1.75 CNc1ccc(c(c1)C)SCCO 62a_100000211926_100102888905 [0,2,0,0,0,0|1,1,0]=4 18636 B13R1.75 CNc1ccc(c(c1)C)SCCO 62a_100102888905_100000211926 [0,2,0,0,0,0|1,1,0]=4 18637 B13R1.75 CNc1ccc(c(c1)F)SCCO 62a_100000211926_100012285320 [0,2,0,0,0,0|1,1,0]=4 18638 B13R1.75 CNc1ccc(c(c1)F)SCCO 62a_100012285320_100000211926 [0,2,0,0,0,0|1,1,0]=4 18639 B13R1.75 COc1ccc(c(c1)Br)NCCO 34a_100015195136_100000211926 [0,2,0,0,0,0|2,0,0]=4 18640 B13R1.75 COc1ccc(c(c1)Br)OCCF 34a_100000685887_100011217306 [0,2,0,0,0,0|2,0,0]=4 18641 B13R1.75 COc1ccc(c(c1)Br)OCCF 7a_100000685887_100011217306 [0,2,0,0,0,0|2,0,0]=4 18642 B13R1.75 COc1ccc(c(c1)Br)OCCO 34a_100000685887_100000211926 [0,2,0,0,0,0|1,0,0]=3 18643 B13R1.75 COc1ccc(c(c1)Br)OCCO 7a_100000685887_100000211926 [0,2,0,0,0,0|1,0,0]=3 18644 B13R1.75 COc1ccc(c(c1)Br)SCCO 62a_100000211926_100012349170 [0,2,0,0,0,0|1,1,0]=4 18645 B13R1.75 COc1ccc(c(c1)Br)SCCO 62a_100012349170_100000211926 [0,2,0,0,0,0|1,1,0]=4 18646 B13R1.75 COc1ccc(c(c1)C)NCCO 34a_100000750285_100000211926 [0,2,0,0,0,0|2,0,0]=4 18647 B13R1.75 COc1ccc(c(c1)C)OCCF 34a_100012002223_100011217306 [0,2,0,0,0,0|2,0,0]=4 18648 B13R1.75 COc1ccc(c(c1)C)OCCF 7a_100012002223_100011217306 [0,2,0,0,0,0|2,0,0]=4 18649 B13R1.75 COc1ccc(c(c1)C)OCCO 34a_100012002223_100000211926 [0,2,0,0,0,0|1,0,0]=3 18650 B13R1.75 COc1ccc(c(c1)C)OCCO 7a_100012002223_100000211926 [0,2,0,0,0,0|1,0,0]=3 18651 B13R1.75 COc1ccc(c(c1)C)SCCO 62a_100000211926_100000759875 [0,2,0,0,0,0|1,1,0]=4 18652 B13R1.75 COc1ccc(c(c1)C)SCCO 62a_100000759875_100000211926 [0,2,0,0,0,0|1,1,0]=4 18653 B13R1.75 COc1ccc(c(c1)Cl)NCCO 34a_100000747055_100000211926 [0,2,0,0,0,0|2,0,0]=4 18654 B13R1.75 COc1ccc(c(c1)Cl)OCCF 34a_100000038596_100011217306 [0,2,0,0,0,0|2,0,0]=4 18655 B13R1.75 COc1ccc(c(c1)Cl)OCCF 7a_100000038596_100011217306 [0,2,0,0,0,0|2,0,0]=4 18656 B13R1.75 COc1ccc(c(c1)Cl)OCCO 34a_100000038596_100000211926 [0,2,0,0,0,0|1,0,0]=3 18657 B13R1.75 COc1ccc(c(c1)Cl)OCCO 7a_100000038596_100000211926 [0,2,0,0,0,0|1,0,0]=3 18658 B13R1.75 COc1ccc(c(c1)F)NCCO 34a_100011299463_100000211926 [0,2,0,0,0,0|2,0,0]=4 18659 B13R1.75 COc1ccc(c(c1)F)OCCF 34a_100000036999_100011217306 [0,2,0,0,0,0|2,0,0]=4 18660 B13R1.75 COc1ccc(c(c1)F)OCCF 7a_100000036999_100011217306 [0,2,0,0,0,0|2,0,0]=4 18661 B13R1.75 COc1ccc(c(c1)F)OCCO 34a_100000036999_100000211926 [0,2,0,0,0,0|1,0,0]=3 18662 B13R1.75 COc1ccc(c(c1)F)OCCO 7a_100000036999_100000211926 [0,2,0,0,0,0|1,0,0]=3 18663 B13R1.75 COc1ccc(c(c1)F)SCCO 62a_100000211926_100000753793 [0,2,0,0,0,0|1,1,0]=4 18664 B13R1.75 COc1ccc(c(c1)F)SCCO 62a_100000753793_100000211926 [0,2,0,0,0,0|1,1,0]=4 18665 B13R1.75 COc1ccc(c(c1)I)NCCO 34a_100000049804_100000211926 [0,2,0,0,0,0|2,0,0]=4 18666 B13R1.75 COc1ccc(c(c1)N)OCCF 34a_100000188146_100011217306 [0,2,0,0,0,0|2,0,0]=4 18667 B13R1.75 COc1ccc(c(c1)N)OCCO 34a_100000188146_100000211926 [0,2,0,0,0,0|1,0,0]=3 18668 B13R1.75 COc1ccc(c(c1)N)SCCO 62a_100000211926_100000748021 [0,2,0,0,0,0|1,1,0]=4 18669 B13R1.75 COc1ccc(c(c1)N)SCCO 62a_100000748021_100000211926 [0,2,0,0,0,0|1,1,0]=4 18670 B13R1.75 COc1ccc(c(c1)O)NCCO 34a_100016989039_100000211926 [0,2,0,0,0,0|2,0,0]=4 18671 B13R1.75 COc1ccc(c(c1)O)SCCO 62a_100000211926_100000719091 [0,2,0,0,0,0|1,1,0]=4 18672 B13R1.75 COc1ccc(c(n1)C)OCCO 34a_200009873766_100000211926 [0,2,0,0,0,0|2,0,0]=4 18673 B13R1.75 CSc1ccc(c(c1)F)NCCO 34a_100012056844_100000211926 [0,2,0,0,0,0|2,0,0]=4 18674 B13R1.75 CSc1ccc(c(c1)F)SCCO 62a_100000211926_100009816902 [0,2,0,0,0,0|1,1,0]=4 18675 B13R1.75 CSc1ccc(c(c1)F)SCCO 62a_100009816902_100000211926 [0,2,0,0,0,0|1,1,0]=4 18676 B13R1.75 Cc1cc(ccc1NCCO)C#N 34a_100011216260_100000211926 [0,2,0,0,0,0|2,0,0]=4 18677 B13R1.75 Cc1cc(ccc1NCCO)C#N 7a_100011216260_100000211926 [0,2,0,0,0,0|2,0,0]=4 18678 B13R1.75 Cc1cc(ccc1NCCO)CO 2230a_200011997030_100000211926 [0,2,0,0,0,0|2,0,0]=4 18679 B13R1.75 Cc1cc(ccc1NCCO)CO 34a_200011997030_100000211926 [0,2,0,0,0,0|2,0,0]=4 18680 B13R1.75 Cc1cc(ccc1OCCF)C#N 34a_100000749339_100011217306 [0,2,0,0,0,0|2,0,0]=4 18681 B13R1.75 Cc1cc(ccc1OCCF)C#N 7a_100000749339_100011217306 [0,2,0,0,0,0|2,0,0]=4 18682 B13R1.75 Cc1cc(ccc1OCCF)CO 34a_100000075815_100011217306 [0,2,0,0,0,0|2,0,0]=4 18683 B13R1.75 Cc1cc(ccc1OCCF)CO 7a_100000075815_100011217306 [0,2,0,0,0,0|2,0,0]=4 18684 B13R1.75 Cc1cc(ccc1OCCO)C#N 34a_100000749339_100000211926 [0,2,0,0,0,0|1,0,0]=3 18685 B13R1.75 Cc1cc(ccc1OCCO)C#N 7a_100000749339_100000211926 [0,2,0,0,0,0|1,0,0]=3 18686 B13R1.75 Cc1cc(ccc1OCCO)CO 34a_100000075815_100000211926 [0,2,0,0,0,0|1,0,0]=3 18687 B13R1.75 Cc1cc(ccc1OCCO)CO 7a_100000075815_100000211926 [0,2,0,0,0,0|1,0,0]=3 18688 B13R1.75 Cc1cc(ccc1SCCO)C#N 62a_100000211926_100000212329 [0,2,0,0,0,0|1,1,0]=4 18689 B13R1.75 Cc1cc(ccc1SCCO)C=O 62a_100000211926_100000765772 [0,2,0,0,0,0|1,1,0]=4 18690 B13R1.75 Cc1cc(ccc1SCCO)C=O 62a_100000765772_100000211926 [0,2,0,0,0,0|1,1,0]=4 18691 B13R1.75 Cc1cc(ccc1SCCO)CN 62a_100000211926_100015205234 [0,2,0,0,0,0|1,1,0]=4 18692 B13R1.75 Cc1cc(ccc1SCCO)CN 62a_100015205234_100000211926 [0,2,0,0,0,0|1,1,0]=4 18693 B13R1.75 Cc1cc(ccc1SCCO)CO 62a_100000211926_100000718852 [0,2,0,0,0,0|1,1,0]=4 18694 B13R1.75 Cc1cc(ccc1SCCO)CO 62a_100000718852_100000211926 [0,2,0,0,0,0|1,1,0]=4 18695 B13R1.75 Cc1cc(ccc1SCCO)NN 62a_100000211926_100000745493 [0,2,0,0,0,0|1,1,0]=4 18696 B13R1.75 Cc1cc(ccc1SCCO)NN 62a_100000745493_100000211926 [0,2,0,0,0,0|1,1,0]=4 18697 B13R1.75 N#Cc1ccc(c(c1)Br)NCCO 34a_100000736769_100000211926 [0,2,0,0,0,0|2,0,0]=4 18698 B13R1.75 N#Cc1ccc(c(c1)Br)NCCO 7a_100000736769_100000211926 [0,2,0,0,0,0|2,0,0]=4 18699 B13R1.75 N#Cc1ccc(c(c1)Br)OCCF 34a_100011216086_100011217306 [0,2,0,0,0,0|2,0,0]=4 18700 B13R1.75 N#Cc1ccc(c(c1)Br)OCCF 7a_100011216086_100011217306 [0,2,0,0,0,0|2,0,0]=4 18701 B13R1.75 N#Cc1ccc(c(c1)Br)OCCO 34a_100011216086_100000211926 [0,2,0,0,0,0|1,0,0]=3 18702 B13R1.75 N#Cc1ccc(c(c1)Br)OCCO 7a_100011216086_100000211926 [0,2,0,0,0,0|1,0,0]=3 18703 B13R1.75 N#Cc1ccc(c(c1)Br)SCCO 62a_100000211926_100012356348 [0,2,0,0,0,0|1,1,0]=4 18704 B13R1.75 N#Cc1ccc(c(c1)Cl)NCCO 34a_100000690208_100000211926 [0,2,0,0,0,0|2,0,0]=4 18705 B13R1.75 N#Cc1ccc(c(c1)Cl)NCCO 7a_100000690208_100000211926 [0,2,0,0,0,0|2,0,0]=4 18706 B13R1.75 N#Cc1ccc(c(c1)Cl)OCCF 34a_100000205955_100011217306 [0,2,0,0,0,0|2,0,0]=4 18707 B13R1.75 N#Cc1ccc(c(c1)Cl)OCCF 7a_100000205955_100011217306 [0,2,0,0,0,0|2,0,0]=4 18708 B13R1.75 N#Cc1ccc(c(c1)Cl)OCCO 34a_100000205955_100000211926 [0,2,0,0,0,0|1,0,0]=3 18709 B13R1.75 N#Cc1ccc(c(c1)Cl)OCCO 7a_100000205955_100000211926 [0,2,0,0,0,0|1,0,0]=3 18710 B13R1.75 N#Cc1ccc(c(c1)Cl)SCCO 62a_100000211926_100012349663 [0,2,0,0,0,0|1,1,0]=4 18711 B13R1.75 N#Cc1ccc(c(c1)F)NCCO 34a_100000760432_100000211926 [0,2,0,0,0,0|2,0,0]=4 18712 B13R1.75 N#Cc1ccc(c(c1)F)NCCO 7a_100000760432_100000211926 [0,2,0,0,0,0|2,0,0]=4 18713 B13R1.75 N#Cc1ccc(c(c1)F)OCCF 34a_100000751310_100011217306 [0,2,0,0,0,0|2,0,0]=4 18714 B13R1.75 N#Cc1ccc(c(c1)F)OCCF 7a_100000751310_100011217306 [0,2,0,0,0,0|2,0,0]=4 18715 B13R1.75 N#Cc1ccc(c(c1)F)OCCO 34a_100000751310_100000211926 [0,2,0,0,0,0|1,0,0]=3 18716 B13R1.75 N#Cc1ccc(c(c1)F)OCCO 7a_100000751310_100000211926 [0,2,0,0,0,0|1,0,0]=3 18717 B13R1.75 N#Cc1ccc(c(c1)F)SCCO 62a_100000211926_100000050172 [0,2,0,0,0,0|1,1,0]=4 18718 B13R1.75 N#Cc1ccc(c(c1)I)NCCO 7a_100000067503_100000211926 [0,2,0,0,0,0|2,0,0]=4 18719 B13R1.75 N#Cc1ccc(c(c1)I)OCCF 34a_100000725478_100011217306 [0,2,0,0,0,0|2,0,0]=4 18720 B13R1.75 N#Cc1ccc(c(c1)I)OCCF 7a_100000725478_100011217306 [0,2,0,0,0,0|2,0,0]=4 18721 B13R1.75 N#Cc1ccc(c(c1)I)OCCO 34a_100000725478_100000211926 [0,2,0,0,0,0|1,0,0]=3 18722 B13R1.75 N#Cc1ccc(c(c1)I)OCCO 7a_100000725478_100000211926 [0,2,0,0,0,0|1,0,0]=3 18723 B13R1.75 N#Cc1ccc(c(c1)N)OCCF 34a_100000766272_100011217306 [0,2,0,0,0,0|2,0,0]=4 18724 B13R1.75 N#Cc1ccc(c(c1)N)OCCF 7a_100000766272_100011217306 [0,2,0,0,0,0|2,0,0]=4 18725 B13R1.75 N#Cc1ccc(c(c1)N)OCCO 34a_100000766272_100000211926 [0,2,0,0,0,0|1,0,0]=3 18726 B13R1.75 N#Cc1ccc(c(c1)N)OCCO 7a_100000766272_100000211926 [0,2,0,0,0,0|1,0,0]=3 18727 B13R1.75 N#Cc1ccc(c(c1)N)SCCO 62a_100000211926_100012001879 [0,2,0,0,0,0|1,1,0]=4 18728 B13R1.75 N#Cc1ccc(c(c1)O)NCCO 34a_100011997735_100000211926 [0,2,0,0,0,0|2,0,0]=4 18729 B13R1.75 N#Cc1ccc(c(c1)O)SCCO 62a_100000211926_100009877741 [0,2,0,0,0,0|1,1,0]=4 18730 B13R1.75 NCc1ccc(c(c1)F)OCCF 34a_100000758358_100011217306 [0,2,0,0,0,0|2,0,0]=4 18731 B13R1.75 NCc1ccc(c(c1)F)OCCO 34a_100000758358_100000211926 [0,2,0,0,0,0|1,0,0]=3 18732 B13R1.75 NCc1ccc(c(c1)F)SCCO 62a_100000211926_100000755036 [0,2,0,0,0,0|1,1,0]=4 18733 B13R1.75 NCc1ccc(c(c1)F)SCCO 62a_100000755036_100000211926 [0,2,0,0,0,0|1,1,0]=4 18734 B13R1.75 NNc1ccc(c(c1)F)SCCO 62a_100000211926_100016992936 [0,2,0,0,0,0|1,1,0]=4 18735 B13R1.75 NNc1ccc(c(c1)F)SCCO 62a_100016992936_100000211926 [0,2,0,0,0,0|1,1,0]=4 18736 B13R1.75 Nc1cc(ccc1OCCF)CO 34a_100000123545_100011217306 [0,2,0,0,0,0|2,0,0]=4 18737 B13R1.75 Nc1cc(ccc1OCCO)CO 34a_100000123545_100000211926 [0,2,0,0,0,0|1,0,0]=3 18738 B13R1.75 Nc1cc(ccc1SCCO)CO 62a_100000211926_100012347568 [0,2,0,0,0,0|1,1,0]=4 18739 B13R1.75 Nc1cc(ccc1SCCO)CO 62a_100012347568_100000211926 [0,2,0,0,0,0|1,1,0]=4 18740 B13R1.75 O=Cc1ccc(c(c1)F)SCCO 62a_100000211926_100000686674 [0,2,0,0,0,0|1,1,0]=4 18741 B13R1.75 O=Cc1ccc(c(c1)F)SCCO 62a_100000686674_100000211926 [0,2,0,0,0,0|1,1,0]=4 18742 B13R1.75 O=Cc1ccc(c(c1)O)SCCO 62a_100000041418_100000211926 [0,2,0,0,0,0|1,1,0]=4 18743 B13R1.75 O=Cc1ccc(c(c1)O)SCCO 62a_100000211926_100000041418 [0,2,0,0,0,0|1,1,0]=4 18744 B13R1.75 O=c1cc(occ1OCCF)CCl 34a_100000010605_100011217306 [0,2,0,0,0,0|2,0,0]=4 18745 B13R1.75 O=c1cc(occ1OCCO)CCl 34a_100000010605_100000211926 [0,2,0,0,0,0|1,0,0]=3 18746 B13R1.75 O=c1cc(occ1OCCO)CO 34a_100000211585_100000211926 [0,2,0,0,0,0|2,0,0]=4 18747 B13R1.75 OCCNc1ccc(cc1F)CO 2230a_100011217239_100000211926 [0,2,0,0,0,0|2,0,0]=4 18748 B13R1.75 OCCNc1ccc(cc1F)CO 34a_100011217239_100000211926 [0,2,0,0,0,0|2,0,0]=4 18749 B13R1.75 OCCOc1ccc(cc1Br)CO 34a_100011191544_100000211926 [0,2,0,0,0,0|1,0,0]=3 18750 B13R1.75 OCCOc1ccc(cc1Br)CO 7a_100011191544_100000211926 [0,2,0,0,0,0|1,0,0]=3 18751 B13R1.75 OCCOc1ccc(nc1Br)CO 34a_200009817064_100000211926 [0,2,0,0,0,0|2,0,0]=4 18752 B13R1.75 OCCOc1ccc(nc1Br)CO 7a_200009817064_100000211926 [0,2,0,0,0,0|2,0,0]=4 18753 B13R1.75 OCCOc1ccc(nc1Cl)CO 34a_200000118097_100000211926 [0,2,0,0,0,0|2,0,0]=4 18754 B13R1.75 OCCOc1ccc(nc1Cl)CO 7a_200000118097_100000211926 [0,2,0,0,0,0|2,0,0]=4 18755 B13R1.75 OCCSc1ccc(cc1Cl)CO 62a_100000211926_100000718186 [0,2,0,0,0,0|1,1,0]=4 18756 B13R1.75 OCCSc1ccc(cc1Cl)CO 62a_100000718186_100000211926 [0,2,0,0,0,0|1,1,0]=4 18757 B13R1.75 OCCSc1ccc(cc1F)CO 62a_100000211926_100011533735 [0,2,0,0,0,0|1,1,0]=4 18758 B13R1.75 OCCSc1ccc(cc1F)CO 62a_100011533735_100000211926 [0,2,0,0,0,0|1,1,0]=4 18759 B13R1.75 OCCSc1ccc(cc1O)CO 62a_100000049605_100000211926 [0,2,0,0,0,0|1,1,0]=4 18760 B13R1.75 OCCSc1ccc(cc1O)CO 62a_100000211926_100000049605 [0,2,0,0,0,0|1,1,0]=4 18761 B13R1.75 OCc1ccc(c(c1)Br)OCCF 34a_100011191544_100011217306 [0,2,0,0,0,0|2,0,0]=4 18762 B13R1.75 OCc1ccc(c(c1)Br)OCCF 7a_100011191544_100011217306 [0,2,0,0,0,0|2,0,0]=4 18763 B13R1.1601 C#CCOc1c(cc(cc1Br)Cl)Br 34a_100012337757_100000184674 [0,2,0,0,0,0|1,0,1]=4 18764 B13R1.1601 C#CCOc1c(cc(cc1Br)Cl)Br 7a_100012337757_100000038162 [0,2,0,0,0,0|1,0,1]=4 18765 B13R1.1601 C#CCOc1c(cc(cc1Br)Cl)C 34a_100012337756_100000184674 [0,2,0,0,0,0|1,0,1]=4 18766 B13R1.1601 C#CCOc1c(cc(cc1Br)Cl)C 7a_100012337756_100000038162 [0,2,0,0,0,0|1,0,1]=4 18767 B13R1.1601 C#CCOc1c(cc(cc1Br)Cl)Cl 34a_200000243811_100000184674 [0,2,0,0,0,0|1,0,1]=4 18768 B13R1.1601 C#CCOc1c(cc(cc1Br)Cl)Cl 7a_200000243811_100000038162 [0,2,0,0,0,0|1,0,1]=4 18769 B13R1.1601 C#CCOc1c(cc(cc1Br)Cl)F 34a_100011830412_100000184674 [0,2,0,0,0,0|1,0,1]=4 18770 B13R1.1601 C#CCOc1c(cc(cc1Br)Cl)F 7a_100011830412_100000038162 [0,2,0,0,0,0|1,0,1]=4 18771 B13R1.1601 C#CCOc1c(cc(cc1Br)Cl)N 34a_106741647128_100000184674 [0,2,0,0,0,0|1,0,1]=4 18772 B13R1.1601 C#CCOc1c(cc(cc1Br)Cl)N 7a_106741647128_100000038162 [0,2,0,0,0,0|1,0,1]=4 18773 B13R1.1601 C#CCOc1c(cc(cc1C)Cl)C 34a_100000211519_100000184674 [0,2,0,0,0,0|1,0,1]=4 18774 B13R1.1601 C#CCOc1c(cc(cc1C)Cl)C 7a_100000211519_100000038162 [0,2,0,0,0,0|1,0,1]=4 18775 B13R1.1601 C#CCOc1c(cc(cc1Cl)Cl)C 34a_100011218458_100000184674 [0,2,0,0,0,0|1,0,1]=4 18776 B13R1.1601 C#CCOc1c(cc(cc1Cl)Cl)C 7a_100011218458_100000038162 [0,2,0,0,0,0|1,0,1]=4 18777 B13R1.1601 C#CCOc1c(cc(cc1Cl)Cl)Cl 34a_100000210218_100000184674 [0,2,0,0,0,0|1,0,1]=4 18778 B13R1.1601 C#CCOc1c(cc(cc1Cl)Cl)Cl 7a_100000210218_100000038162 [0,2,0,0,0,0|1,0,1]=4 18779 B13R1.1601 C#CCOc1c(cc(cc1Cl)Cl)N 34a_100000695819_100000184674 [0,2,0,0,0,0|1,0,1]=4 18780 B13R1.1601 C#CCOc1c(cc(cc1Cl)Cl)N 7a_100000695819_100000038162 [0,2,0,0,0,0|1,0,1]=4 18781 B13R1.1601 C#CCOc1c(cc(cc1F)Cl)F 34a_100011830429_100000184674 [0,2,0,0,0,0|1,0,1]=4 18782 B13R1.1601 C#CCOc1c(cc(cc1F)Cl)F 7a_100011830429_100000038162 [0,2,0,0,0,0|1,0,1]=4 18783 B13R1.1601 C#CCOc1c(cc(cc1I)Cl)C 34a_100012343667_100000184674 [0,2,0,0,0,0|1,0,1]=4 18784 B13R1.1601 C#CCOc1c(cc(cc1I)Cl)C 7a_100012343667_100000038162 [0,2,0,0,0,0|1,0,1]=4 18785 B13R1.1601 C#CCOc1c(cc(cc1I)Cl)Cl 34a_200012339341_100000184674 [0,2,0,0,0,0|1,0,1]=4 18786 B13R1.1601 C#CCOc1c(cc(cc1I)Cl)Cl 7a_200012339341_100000038162 [0,2,0,0,0,0|1,0,1]=4 18787 B13R1.1601 C#CCOc1c(cc(cc1I)Cl)I 7a_100000730656_100000038162 [0,2,0,0,0,0|1,0,1]=4 18788 B13R1.1601 C=CCOc1c(cc(cc1Br)Cl)Br 34a_100012337757_100015514636 [0,2,0,0,0,0|1,0,1]=4 18789 B13R1.1601 C=CCOc1c(cc(cc1Br)Cl)Br 7a_100012337757_100015514636 [0,2,0,0,0,0|1,0,1]=4 18790 B13R1.1601 C=CCOc1c(cc(cc1Br)Cl)C 34a_100012337756_100015514636 [0,2,0,0,0,0|1,0,1]=4 18791 B13R1.1601 C=CCOc1c(cc(cc1Br)Cl)C 7a_100012337756_100015514636 [0,2,0,0,0,0|1,0,1]=4 18792 B13R1.1601 C=CCOc1c(cc(cc1Br)Cl)Cl 34a_200000243811_100015514636 [0,2,0,0,0,0|1,0,1]=4 18793 B13R1.1601 C=CCOc1c(cc(cc1Br)Cl)Cl 7a_200000243811_100015514636 [0,2,0,0,0,0|1,0,1]=4 18794 B13R1.1601 C=CCOc1c(cc(cc1Br)Cl)F 34a_100011830412_100015514636 [0,2,0,0,0,0|1,0,1]=4 18795 B13R1.1601 C=CCOc1c(cc(cc1Br)Cl)F 7a_100011830412_100015514636 [0,2,0,0,0,0|1,0,1]=4 18796 B13R1.1601 C=CCOc1c(cc(cc1Br)Cl)N 34a_106741647128_100015514636 [0,2,0,0,0,0|1,0,1]=4 18797 B13R1.1601 C=CCOc1c(cc(cc1Br)Cl)N 7a_106741647128_100015514636 [0,2,0,0,0,0|1,0,1]=4 18798 B13R1.1601 C=CCOc1c(cc(cc1C)Cl)C 34a_100000211519_100015514636 [0,2,0,0,0,0|1,0,1]=4 18799 B13R1.1601 C=CCOc1c(cc(cc1C)Cl)C 7a_100000211519_100015514636 [0,2,0,0,0,0|1,0,1]=4 18800 B13R1.1601 C=CCOc1c(cc(cc1Cl)Cl)C 34a_100011218458_100015514636 [0,2,0,0,0,0|1,0,1]=4 18801 B13R1.1601 C=CCOc1c(cc(cc1Cl)Cl)C 7a_100011218458_100015514636 [0,2,0,0,0,0|1,0,1]=4 18802 B13R1.1601 C=CCOc1c(cc(cc1Cl)Cl)Cl 34a_100000210218_100015514636 [0,2,0,0,0,0|1,0,1]=4 18803 B13R1.1601 C=CCOc1c(cc(cc1Cl)Cl)Cl 7a_100000210218_100015514636 [0,2,0,0,0,0|1,0,1]=4 18804 B13R1.1601 C=CCOc1c(cc(cc1Cl)Cl)N 34a_100000695819_100015514636 [0,2,0,0,0,0|1,0,1]=4 18805 B13R1.1601 C=CCOc1c(cc(cc1Cl)Cl)N 7a_100000695819_100015514636 [0,2,0,0,0,0|1,0,1]=4 18806 B13R1.1601 C=CCOc1c(cc(cc1F)Cl)F 34a_100011830429_100015514636 [0,2,0,0,0,0|1,0,1]=4 18807 B13R1.1601 C=CCOc1c(cc(cc1F)Cl)F 7a_100011830429_100015514636 [0,2,0,0,0,0|1,0,1]=4 18808 B13R1.1601 C=CCOc1c(cc(cc1I)Cl)C 34a_100012343667_100015514636 [0,2,0,0,0,0|1,0,1]=4 18809 B13R1.1601 C=CCOc1c(cc(cc1I)Cl)C 7a_100012343667_100015514636 [0,2,0,0,0,0|1,0,1]=4 18810 B13R1.1601 C=CCOc1c(cc(cc1I)Cl)Cl 34a_200012339341_100015514636 [0,2,0,0,0,0|1,0,1]=4 18811 B13R1.1601 C=CCOc1c(cc(cc1I)Cl)Cl 7a_200012339341_100015514636 [0,2,0,0,0,0|1,0,1]=4 18812 B13R1.1601 C=CCOc1c(cc(cc1I)Cl)I 7a_100000730656_100015514636 [0,2,0,0,0,0|1,0,1]=4 18813 B13R1.1601 CCCCc1c(cc(cc1Br)Cl)F 271570a_100020621405_100009993495 [0,2,0,0,0,0|2,0,0]=4 18814 B13R1.1601 CCCCc1c(cc(cc1C)Cl)C 271570a_100020621405_100010244930 [0,2,0,0,0,0|2,0,0]=4 18815 B13R1.1601 CCCCc1c(cc(cc1Cl)Cl)C 271570a_100020621405_200000035511 [0,2,0,0,0,0|2,0,0]=4 18816 B13R1.1601 CCCCc1c(cc(cc1Cl)Cl)Cl 271570a_100020621405_200011216440 [0,2,0,0,0,0|2,0,0]=4 18817 B13R1.1601 CCCCc1c(cc(cc1F)Cl)N 271570a_100020621405_200021297760 [0,2,0,0,0,0|2,0,0]=4 18818 B13R1.1601 CCCCc1c(cc(cc1N)Cl)C 271570a_100020621405_100000698757 [0,2,0,0,0,0|2,0,0]=4 18819 B13R1.1601 CCCCc1c(cc(cc1O)Cl)C 271570a_100020621405_100010254216 [0,2,0,0,0,0|2,0,0]=4 18820 B13R1.1601 CCCNc1c(cc(cc1Br)Cl)Br 34a_100000724118_100000210303 [0,2,0,0,0,0|2,0,0]=4 18821 B13R1.1601 CCCNc1c(cc(cc1Br)Cl)C 34a_100012353696_100000210303 [0,2,0,0,0,0|2,0,0]=4 18822 B13R1.1601 CCCNc1c(cc(cc1Br)Cl)C 7a_100012353696_100000210303 [0,2,0,0,0,0|2,0,0]=4 18823 B13R1.1601 CCCNc1c(cc(cc1Br)Cl)Cl 34a_100011218119_100000210303 [0,2,0,0,0,0|2,0,0]=4 18824 B13R1.1601 CCCNc1c(cc(cc1Br)Cl)F 34a_100011217455_100000210303 [0,2,0,0,0,0|2,0,0]=4 18825 B13R1.1601 CCCNc1c(cc(cc1C)Cl)C 34a_100000692879_100000210303 [0,2,0,0,0,0|2,0,0]=4 18826 B13R1.1601 CCCNc1c(cc(cc1C)Cl)C 7a_100000692879_100000210303 [0,2,0,0,0,0|2,0,0]=4 18827 B13R1.1601 CCCNc1c(cc(cc1Cl)Cl)C 34a_100011215104_100000210303 [0,2,0,0,0,0|2,0,0]=4 18828 B13R1.1601 CCCNc1c(cc(cc1Cl)Cl)C 7a_100011215104_100000210303 [0,2,0,0,0,0|2,0,0]=4 18829 B13R1.1601 CCCNc1c(cc(cc1Cl)Cl)Cl 34a_100000210601_100000210303 [0,2,0,0,0,0|2,0,0]=4 18830 B13R1.1601 CCCNc1c(cc(cc1Cl)Cl)F 34a_100000688862_100000210303 [0,2,0,0,0,0|2,0,0]=4 18831 B13R1.1601 CCCNc1c(cc(cc1Cl)Cl)F 7a_100000688862_100000210303 [0,2,0,0,0,0|2,0,0]=4 18832 B13R1.1601 CCCNc1c(cc(cc1F)Cl)C 34a_100012017672_100000210303 [0,2,0,0,0,0|2,0,0]=4 18833 B13R1.1601 CCCNc1c(cc(cc1F)Cl)C 7a_100012017672_100000210303 [0,2,0,0,0,0|2,0,0]=4 18834 B13R1.1601 CCCNc1c(cc(cc1F)Cl)F 34a_100000695146_100000210303 [0,2,0,0,0,0|2,0,0]=4 18835 B13R1.1601 CCCNc1c(cc(cc1F)Cl)F 7a_100000695146_100000210303 [0,2,0,0,0,0|2,0,0]=4 18836 B13R1.1601 CCCNc1c(cc(cc1F)Cl)O 34a_100010883250_100000210303 [0,2,0,0,0,0|2,0,0]=4 18837 B13R1.1601 CCCNc1c(cc(cc1F)Cl)O 7a_100010883250_100000210303 [0,2,0,0,0,0|2,0,0]=4 18838 B13R1.1601 CCCNc1c(cc(cc1I)Cl)C 7a_100012344046_100000210303 [0,2,0,0,0,0|2,0,0]=4 18839 B13R1.1601 CCCOc1c(cc(cc1Br)Br)Br 34a_100000210219_100000210303 [0,2,0,0,0,0|1,1,0]=4 18840 B13R1.1601 CCCOc1c(cc(cc1Br)Br)Br 7a_100000210219_100000210303 [0,2,0,0,0,0|1,1,0]=4 18841 B13R1.1601 CCCOc1c(cc(cc1Br)Br)C 34a_100000186369_100000210303 [0,2,0,0,0,0|1,1,0]=4 18842 B13R1.1601 CCCOc1c(cc(cc1Br)Br)C 7a_100000186369_100000210303 [0,2,0,0,0,0|1,1,0]=4 18843 B13R1.1601 CCCOc1c(cc(cc1Br)Br)Cl 34a_100012337755_100000210303 [0,2,0,0,0,0|1,1,0]=4 18844 B13R1.1601 CCCOc1c(cc(cc1Br)Br)Cl 7a_100012337755_100000210303 [0,2,0,0,0,0|1,1,0]=4 18845 B13R1.1601 CCCOc1c(cc(cc1Br)Br)F 34a_100011216695_100000210303 [0,2,0,0,0,0|1,1,0]=4 18846 B13R1.1601 CCCOc1c(cc(cc1Br)Br)F 7a_100011216695_100000210303 [0,2,0,0,0,0|1,1,0]=4 18847 B13R1.1601 CCCOc1c(cc(cc1Br)Br)N 34a_100010781877_100000210303 [0,2,0,0,0,0|1,1,0]=4 18848 B13R1.1601 CCCOc1c(cc(cc1Br)Br)N 7a_100010781877_100000210303 [0,2,0,0,0,0|1,1,0]=4 18849 B13R1.1601 CCCOc1c(cc(cc1Br)C)Br 34a_100000203795_100000210303 [0,2,0,0,0,0|2,0,0]=4 18850 B13R1.1601 CCCOc1c(cc(cc1Br)C)Br 7a_100000203795_100000210303 [0,2,0,0,0,0|2,0,0]=4 18851 B13R1.1601 CCCOc1c(cc(cc1Br)C)C 34a_100011934984_100000210303 [0,2,0,0,0,0|2,0,0]=4 18852 B13R1.1601 CCCOc1c(cc(cc1Br)C)C 7a_100011934984_100000210303 [0,2,0,0,0,0|2,0,0]=4 18853 B13R1.1601 CCCOc1c(cc(cc1Br)C)F 34a_200010713133_100000210303 [0,2,0,0,0,0|2,0,0]=4 18854 B13R1.1601 CCCOc1c(cc(cc1Br)C)F 7a_200010713133_100000210303 [0,2,0,0,0,0|2,0,0]=4 18855 B13R1.1601 CCCOc1c(cc(cc1Br)Cl)Br 34a_100012337757_100000210303 [0,2,0,0,0,0|1,0,0]=3 18856 B13R1.1601 CCCOc1c(cc(cc1Br)Cl)Br 7a_100012337757_100000210303 [0,2,0,0,0,0|1,0,0]=3 18857 B13R1.1601 CCCOc1c(cc(cc1Br)Cl)C 34a_100012337756_100000210303 [0,2,0,0,0,0|1,0,0]=3 18858 B13R1.1601 CCCOc1c(cc(cc1Br)Cl)C 7a_100012337756_100000210303 [0,2,0,0,0,0|1,0,0]=3 18859 B13R1.1601 CCCOc1c(cc(cc1Br)Cl)Cl 34a_200000243811_100000210303 [0,2,0,0,0,0|1,0,0]=3 18860 B13R1.1601 CCCOc1c(cc(cc1Br)Cl)Cl 7a_200000243811_100000210303 [0,2,0,0,0,0|1,0,0]=3 18861 B13R1.1601 CCCOc1c(cc(cc1Br)Cl)F 34a_100011830412_100000210303 [0,2,0,0,0,0|1,0,0]=3 18862 B13R1.1601 CCCOc1c(cc(cc1Br)Cl)F 7a_100011830412_100000210303 [0,2,0,0,0,0|1,0,0]=3 18863 B13R1.1601 CCCOc1c(cc(cc1Br)Cl)N 34a_106741647128_100000210303 [0,2,0,0,0,0|1,0,0]=3 18864 B13R1.1601 CCCOc1c(cc(cc1Br)Cl)N 7a_106741647128_100000210303 [0,2,0,0,0,0|1,0,0]=3 18865 B13R1.1601 CCCOc1c(cc(cc1Br)F)Br 34a_100011215434_100000210303 [0,2,0,0,0,0|1,1,0]=4 18866 B13R1.1601 CCCOc1c(cc(cc1Br)F)Br 7a_100011215434_100000210303 [0,2,0,0,0,0|1,1,0]=4 18867 B13R1.1601 CCCOc1c(cc(cc1Br)F)Cl 34a_100011830411_100000210303 [0,2,0,0,0,0|1,1,0]=4 18868 B13R1.1601 CCCOc1c(cc(cc1Br)F)Cl 7a_100011830411_100000210303 [0,2,0,0,0,0|1,1,0]=4 18869 B13R1.1601 CCCOc1c(cc(cc1Br)F)F 34a_100000688693_100000210303 [0,2,0,0,0,0|1,1,0]=4 18870 B13R1.1601 CCCOc1c(cc(cc1Br)F)F 7a_100000688693_100000210303 [0,2,0,0,0,0|1,1,0]=4 18871 B13R1.1601 CCCOc1c(cc(cc1Br)F)N 34a_200011217456_100000210303 [0,2,0,0,0,0|1,1,0]=4 18872 B13R1.1601 CCCOc1c(cc(cc1Br)F)N 7a_200011217456_100000210303 [0,2,0,0,0,0|1,1,0]=4 18873 B13R1.1601 CCCOc1c(cc(cc1Br)I)C 34a_100010982682_100000210303 [0,2,0,0,0,0|1,1,0]=4 18874 B13R1.1601 CCCOc1c(cc(cc1Br)I)C 7a_100010982682_100000210303 [0,2,0,0,0,0|1,1,0]=4 18875 B13R1.1601 CCCOc1c(cc(cc1Br)N)Br 34a_200000186426_100000210303 [0,2,0,0,0,0|2,0,0]=4 18876 B13R1.1601 CCCOc1c(cc(cc1Br)N)C 34a_100010064301_100000210303 [0,2,0,0,0,0|2,0,0]=4 18877 B13R1.1601 CCCOc1c(cc(cc1Br)N)C 7a_100010064301_100000210303 [0,2,0,0,0,0|2,0,0]=4 18878 B13R1.1601 CCCOc1c(cc(cc1C)Br)C 34a_100000187306_100000210303 [0,2,0,0,0,0|1,1,0]=4 18879 B13R1.1601 CCCOc1c(cc(cc1C)Br)C 7a_100000187306_100000210303 [0,2,0,0,0,0|1,1,0]=4 18880 B13R1.1601 CCCOc1c(cc(cc1C)C)C 34a_100000212074_100000210303 [0,2,0,0,0,0|2,0,0]=4 18881 B13R1.1601 CCCOc1c(cc(cc1C)C)C 7a_100000212074_100000210303 [0,2,0,0,0,0|2,0,0]=4 18882 B13R1.1601 CCCOc1c(cc(cc1C)Cl)C 34a_100000211519_100000210303 [0,2,0,0,0,0|1,0,0]=3 18883 B13R1.1601 CCCOc1c(cc(cc1C)Cl)C 7a_100000211519_100000210303 [0,2,0,0,0,0|1,0,0]=3 18884 B13R1.1601 CCCOc1c(cc(cc1C)F)C 34a_100000081862_100000210303 [0,2,0,0,0,0|1,1,0]=4 18885 B13R1.1601 CCCOc1c(cc(cc1C)F)C 7a_100000081862_100000210303 [0,2,0,0,0,0|1,1,0]=4 18886 B13R1.1601 CCCOc1c(cc(cc1C)I)C 34a_100011216129_100000210303 [0,2,0,0,0,0|1,1,0]=4 18887 B13R1.1601 CCCOc1c(cc(cc1C)I)C 7a_100011216129_100000210303 [0,2,0,0,0,0|1,1,0]=4 18888 B13R1.1601 CCCOc1c(cc(cc1C)N)C 34a_100000703291_100000210303 [0,2,0,0,0,0|2,0,0]=4 18889 B13R1.1601 CCCOc1c(cc(cc1C)N)C 7a_100000703291_100000210303 [0,2,0,0,0,0|2,0,0]=4 18890 B13R1.1601 CCCOc1c(cc(cc1Cl)Br)C 34a_100000211485_100000210303 [0,2,0,0,0,0|1,1,0]=4 18891 B13R1.1601 CCCOc1c(cc(cc1Cl)Br)C 7a_100000211485_100000210303 [0,2,0,0,0,0|1,1,0]=4 18892 B13R1.1601 CCCOc1c(cc(cc1Cl)Br)Cl 34a_100000753780_100000210303 [0,2,0,0,0,0|1,1,0]=4 18893 B13R1.1601 CCCOc1c(cc(cc1Cl)Br)Cl 7a_100000753780_100000210303 [0,2,0,0,0,0|1,1,0]=4 18894 B13R1.1601 CCCOc1c(cc(cc1Cl)Br)F 34a_100011216646_100000210303 [0,2,0,0,0,0|1,1,0]=4 18895 B13R1.1601 CCCOc1c(cc(cc1Cl)Br)F 7a_100011216646_100000210303 [0,2,0,0,0,0|1,1,0]=4 18896 B13R1.1601 CCCOc1c(cc(cc1Cl)Br)N 34a_100000694353_100000210303 [0,2,0,0,0,0|1,1,0]=4 18897 B13R1.1601 CCCOc1c(cc(cc1Cl)Br)N 7a_100000694353_100000210303 [0,2,0,0,0,0|1,1,0]=4 18898 B13R1.1601 CCCOc1c(cc(cc1Cl)C)Cl 34a_100000034925_100000210303 [0,2,0,0,0,0|2,0,0]=4 18899 B13R1.1601 CCCOc1c(cc(cc1Cl)C)Cl 7a_100000034925_100000210303 [0,2,0,0,0,0|2,0,0]=4 18900 B13R1.1601 CCCOc1c(cc(cc1Cl)Cl)C 34a_100011218458_100000210303 [0,2,0,0,0,0|1,0,0]=3 18901 B13R1.1601 CCCOc1c(cc(cc1Cl)Cl)C 7a_100011218458_100000210303 [0,2,0,0,0,0|1,0,0]=3 18902 B13R1.1601 CCCOc1c(cc(cc1Cl)Cl)Cl 34a_100000210218_100000210303 [0,2,0,0,0,0|1,0,0]=3 18903 B13R1.1601 CCCOc1c(cc(cc1Cl)Cl)Cl 7a_100000210218_100000210303 [0,2,0,0,0,0|1,0,0]=3 18904 B13R1.1601 CCCOc1c(cc(cc1Cl)Cl)N 34a_100000695819_100000210303 [0,2,0,0,0,0|1,0,0]=3 18905 B13R1.1601 CCCOc1c(cc(cc1Cl)Cl)N 7a_100000695819_100000210303 [0,2,0,0,0,0|1,0,0]=3 18906 B13R1.1601 CCCOc1c(cc(cc1Cl)F)Cl 34a_100011217724_100000210303 [0,2,0,0,0,0|1,1,0]=4 18907 B13R1.1601 CCCOc1c(cc(cc1Cl)F)Cl 7a_100011217724_100000210303 [0,2,0,0,0,0|1,1,0]=4 18908 B13R1.1601 CCCOc1c(cc(cc1Cl)F)F 34a_100011935252_100000210303 [0,2,0,0,0,0|1,1,0]=4 18909 B13R1.1601 CCCOc1c(cc(cc1Cl)F)F 7a_100011935252_100000210303 [0,2,0,0,0,0|1,1,0]=4 18910 B13R1.1601 CCCOc1c(cc(cc1Cl)I)C 34a_200015900153_100000210303 [0,2,0,0,0,0|1,1,0]=4 18911 B13R1.1601 CCCOc1c(cc(cc1Cl)I)C 7a_200015900153_100000210303 [0,2,0,0,0,0|1,1,0]=4 18912 B13R1.1601 CCCOc1c(cc(cc1Cl)I)Cl 7a_100012339652_100000210303 [0,2,0,0,0,0|1,1,0]=4 18913 B13R1.1601 CCCOc1c(cc(cc1Cl)N)Cl 34a_100000695418_100000210303 [0,2,0,0,0,0|2,0,0]=4 18914 B13R1.1601 CCCOc1c(cc(cc1Cl)N)Cl 7a_100000695418_100000210303 [0,2,0,0,0,0|2,0,0]=4 18915 B13R1.1601 CCCOc1c(cc(cc1F)Br)F 34a_100011216917_100000210303 [0,2,0,0,0,0|1,1,0]=4 18916 B13R1.1601 CCCOc1c(cc(cc1F)Br)F 7a_100011216917_100000210303 [0,2,0,0,0,0|1,1,0]=4 18917 B13R1.1601 CCCOc1c(cc(cc1F)Br)N 34a_100011217383_100000210303 [0,2,0,0,0,0|1,1,0]=4 18918 B13R1.1601 CCCOc1c(cc(cc1F)Br)N 7a_100011217383_100000210303 [0,2,0,0,0,0|1,1,0]=4 18919 B13R1.1601 CCCOc1c(cc(cc1F)Cl)F 34a_100011830429_100000210303 [0,2,0,0,0,0|1,0,0]=3 18920 B13R1.1601 CCCOc1c(cc(cc1F)Cl)F 7a_100011830429_100000210303 [0,2,0,0,0,0|1,0,0]=3 18921 B13R1.1601 CCCOc1c(cc(cc1F)F)F 34a_100011218396_100000210303 [0,2,0,0,0,0|1,1,0]=4 18922 B13R1.1601 CCCOc1c(cc(cc1F)F)F 7a_100011218396_100000210303 [0,2,0,0,0,0|1,1,0]=4 18923 B13R1.1601 CCCOc1c(cc(cc1F)F)N 34a_100015205836_100000210303 [0,2,0,0,0,0|1,1,0]=4 18924 B13R1.1601 CCCOc1c(cc(cc1F)F)N 7a_100015205836_100000210303 [0,2,0,0,0,0|1,1,0]=4 18925 B13R1.1601 CCCOc1c(cc(cc1F)I)F 34a_200011830255_100000210303 [0,2,0,0,0,0|1,1,0]=4 18926 B13R1.1601 CCCOc1c(cc(cc1F)I)F 7a_200011830255_100000210303 [0,2,0,0,0,0|1,1,0]=4 18927 B13R1.1601 CCCOc1c(cc(cc1F)N)F 34a_100016987357_100000210303 [0,2,0,0,0,0|2,0,0]=4 18928 B13R1.1601 CCCOc1c(cc(cc1F)N)F 7a_100016987357_100000210303 [0,2,0,0,0,0|2,0,0]=4 18929 B13R1.1601 CCCOc1c(cc(cc1F)O)F 271570a_203496583355_200016150419 [0,2,0,0,0,0|2,0,0]=4 18930 B13R1.1601 CCCOc1c(cc(cc1I)Br)F 34a_100013354677_100000210303 [0,2,0,0,0,0|1,1,0]=4 18931 B13R1.1601 CCCOc1c(cc(cc1I)Br)F 7a_100013354677_100000210303 [0,2,0,0,0,0|1,1,0]=4 18932 B13R1.1601 CCCOc1c(cc(cc1I)Br)I 7a_100009997433_100000210303 [0,2,0,0,0,0|1,1,0]=4 18933 B13R1.1601 CCCOc1c(cc(cc1I)Br)N 7a_100016071998_100000210303 [0,2,0,0,0,0|1,1,0]=4 18934 B13R1.1601 CCCOc1c(cc(cc1I)C)F 34a_200135191068_100000210303 [0,2,0,0,0,0|2,0,0]=4 18935 B13R1.1601 CCCOc1c(cc(cc1I)C)F 7a_200135191068_100000210303 [0,2,0,0,0,0|2,0,0]=4 18936 B13R1.1601 CCCOc1c(cc(cc1I)Cl)C 34a_100012343667_100000210303 [0,2,0,0,0,0|1,0,0]=3 18937 B13R1.1601 CCCOc1c(cc(cc1I)Cl)C 7a_100012343667_100000210303 [0,2,0,0,0,0|1,0,0]=3 18938 B13R1.1601 CCCOc1c(cc(cc1I)Cl)Cl 34a_200012339341_100000210303 [0,2,0,0,0,0|1,0,0]=3 18939 B13R1.1601 CCCOc1c(cc(cc1I)Cl)Cl 7a_200012339341_100000210303 [0,2,0,0,0,0|1,0,0]=3 18940 B13R1.1601 CCCOc1c(cc(cc1I)Cl)I 7a_100000730656_100000210303 [0,2,0,0,0,0|1,0,0]=3 18941 B13R1.1601 CCCOc1c(cc(cc1I)F)Br 34a_200013085147_100000210303 [0,2,0,0,0,0|1,1,0]=4 18942 B13R1.1601 CCCOc1c(cc(cc1I)F)Br 7a_200013085147_100000210303 [0,2,0,0,0,0|1,1,0]=4 18943 B13R1.1601 CCCOc1c(cc(cc1I)F)F 34a_200013204775_100000210303 [0,2,0,0,0,0|1,1,0]=4 18944 B13R1.1601 CCCOc1c(cc(cc1I)F)F 7a_200013204775_100000210303 [0,2,0,0,0,0|1,1,0]=4 18945 B13R1.1601 CCCOc1c(cc(cc1I)I)Cl 7a_100009997439_100000210303 [0,2,0,0,0,0|1,1,0]=4 18946 B13R1.1601 CCCOc1c(cc(cc1N)Br)C 34a_100011825904_100000210303 [0,2,0,0,0,0|1,1,0]=4 18947 B13R1.1601 CCCOc1c(cc(cc1N)Br)C 7a_100011825904_100000210303 [0,2,0,0,0,0|1,1,0]=4 18948 B13R1.1601 CCCOc1c(cc(cc1N)C)C 34a_100011216242_100000210303 [0,2,0,0,0,0|2,0,0]=4 18949 B13R1.1601 CCCOc1c(cc(cc1N)C)C 7a_100011216242_100000210303 [0,2,0,0,0,0|2,0,0]=4 18950 B13R1.1601 CCCOc1c(cc(cc1N)F)C 34a_100000130126_100000210303 [0,2,0,0,0,0|1,1,0]=4 18951 B13R1.1601 CCCOc1c(cc(cc1N)F)C 7a_100000130126_100000210303 [0,2,0,0,0,0|1,1,0]=4 18952 B13R1.1601 CCCSc1c(cc(cc1Br)Cl)F 62a_100000210303_100009993495 [0,2,0,0,0,0|1,1,0]=4 18953 B13R1.1601 CCCSc1c(cc(cc1Br)Cl)F 62a_100009993495_100000210303 [0,2,0,0,0,0|1,1,0]=4 18954 B13R1.1601 CCCSc1c(cc(cc1Br)Cl)N 62a_100000210303_100011155807 [0,2,0,0,0,0|1,1,0]=4 18955 B13R1.1601 CCCSc1c(cc(cc1Br)Cl)N 62a_100011155807_100000210303 [0,2,0,0,0,0|1,1,0]=4 18956 B13R1.1601 CCCSc1c(cc(cc1C)Cl)C 62a_100000210303_100010244930 [0,2,0,0,0,0|1,1,0]=4 18957 B13R1.1601 CCCSc1c(cc(cc1C)Cl)C 62a_100010244930_100000210303 [0,2,0,0,0,0|1,1,0]=4 18958 B13R1.1601 CCCSc1c(cc(cc1Cl)Cl)C 62a_100000210303_200000035511 [0,2,0,0,0,0|1,1,0]=4 18959 B13R1.1601 CCCSc1c(cc(cc1Cl)Cl)C 62a_200000035511_100000210303 [0,2,0,0,0,0|1,1,0]=4 18960 B13R1.1601 CCCSc1c(cc(cc1F)Cl)N 62a_100000210303_200021297760 [0,2,0,0,0,0|1,1,0]=4 18961 B13R1.1601 CCCSc1c(cc(cc1F)Cl)N 62a_200021297760_100000210303 [0,2,0,0,0,0|1,1,0]=4 18962 B13R1.1601 CCCSc1c(cc(cc1N)Cl)C 62a_100000210303_100000698757 [0,2,0,0,0,0|1,1,0]=4 18963 B13R1.1601 CCCSc1c(cc(cc1N)Cl)C 62a_100000698757_100000210303 [0,2,0,0,0,0|1,1,0]=4 18964 B13R1.1601 CCCSc1c(cc(cc1O)Cl)C 62a_100000210303_100010254216 [0,2,0,0,0,0|1,1,0]=4 18965 B13R1.1601 CCCSc1c(cc(cc1O)Cl)C 62a_100010254216_100000210303 [0,2,0,0,0,0|1,1,0]=4 18966 B13R1.1601 CSCOc1c(cc(cc1Br)Cl)Br 34a_100012337757_100011218213 [0,2,0,0,0,0|2,0,0]=4 18967 B13R1.1601 CSCOc1c(cc(cc1Br)Cl)C 34a_100012337756_100011218213 [0,2,0,0,0,0|2,0,0]=4 18968 B13R1.1601 CSCOc1c(cc(cc1Br)Cl)Cl 34a_200000243811_100011218213 [0,2,0,0,0,0|2,0,0]=4 18969 B13R1.1601 CSCOc1c(cc(cc1Br)Cl)F 34a_100011830412_100011218213 [0,2,0,0,0,0|2,0,0]=4 18970 B13R1.1601 CSCOc1c(cc(cc1Br)Cl)N 34a_106741647128_100011218213 [0,2,0,0,0,0|2,0,0]=4 18971 B13R1.1601 CSCOc1c(cc(cc1C)Cl)C 34a_100000211519_100011218213 [0,2,0,0,0,0|2,0,0]=4 18972 B13R1.1601 CSCOc1c(cc(cc1Cl)Cl)C 34a_100011218458_100011218213 [0,2,0,0,0,0|2,0,0]=4 18973 B13R1.1601 CSCOc1c(cc(cc1Cl)Cl)Cl 34a_100000210218_100011218213 [0,2,0,0,0,0|2,0,0]=4 18974 B13R1.1601 CSCOc1c(cc(cc1Cl)Cl)N 34a_100000695819_100011218213 [0,2,0,0,0,0|2,0,0]=4 18975 B13R1.1601 CSCOc1c(cc(cc1F)Cl)F 34a_100011830429_100011218213 [0,2,0,0,0,0|2,0,0]=4 18976 B13R1.1601 CSCOc1c(cc(cc1I)Cl)C 34a_100012343667_100011218213 [0,2,0,0,0,0|2,0,0]=4 18977 B13R1.1601 CSCOc1c(cc(cc1I)Cl)Cl 34a_200012339341_100011218213 [0,2,0,0,0,0|2,0,0]=4 18978 B13R1.1601 Cc1cc(c(c(c1)Br)NCCO)Br 34a_100000184052_100000211926 [0,2,0,0,0,0|2,0,0]=4 18979 B13R1.1601 Cc1cc(c(c(c1)Br)NCCO)C 34a_100000688863_100000211926 [0,2,0,0,0,0|2,0,0]=4 18980 B13R1.1601 Cc1cc(c(c(c1)Br)NCCO)Cl 34a_100012339639_100000211926 [0,2,0,0,0,0|2,0,0]=4 18981 B13R1.1601 Cc1cc(c(c(c1)Br)NCCO)F 34a_100012353694_100000211926 [0,2,0,0,0,0|2,0,0]=4 18982 B13R1.1601 Cc1cc(c(c(c1)Br)OCCF)Br 34a_100000203795_100011217306 [0,2,0,0,0,0|2,0,0]=4 18983 B13R1.1601 Cc1cc(c(c(c1)Br)OCCF)Br 7a_100000203795_100011217306 [0,2,0,0,0,0|2,0,0]=4 18984 B13R1.1601 Cc1cc(c(c(c1)Br)OCCF)C 34a_100011934984_100011217306 [0,2,0,0,0,0|2,0,0]=4 18985 B13R1.1601 Cc1cc(c(c(c1)Br)OCCF)C 7a_100011934984_100011217306 [0,2,0,0,0,0|2,0,0]=4 18986 B13R1.1601 Cc1cc(c(c(c1)Br)OCCF)F 34a_200010713133_100011217306 [0,2,0,0,0,0|2,0,0]=4 18987 B13R1.1601 Cc1cc(c(c(c1)Br)OCCF)F 7a_200010713133_100011217306 [0,2,0,0,0,0|2,0,0]=4 18988 B13R1.1601 Cc1cc(c(c(c1)Br)OCCO)Br 34a_100000203795_100000211926 [0,2,0,0,0,0|1,0,0]=3 18989 B13R1.1601 Cc1cc(c(c(c1)Br)OCCO)Br 7a_100000203795_100000211926 [0,2,0,0,0,0|1,0,0]=3 18990 B13R1.1601 Cc1cc(c(c(c1)Br)OCCO)C 34a_100011934984_100000211926 [0,2,0,0,0,0|1,0,0]=3 18991 B13R1.1601 Cc1cc(c(c(c1)Br)OCCO)C 7a_100011934984_100000211926 [0,2,0,0,0,0|1,0,0]=3 18992 B13R1.1601 Cc1cc(c(c(c1)Br)OCCO)F 34a_200010713133_100000211926 [0,2,0,0,0,0|1,0,0]=3 18993 B13R1.1601 Cc1cc(c(c(c1)Br)OCCO)F 7a_200010713133_100000211926 [0,2,0,0,0,0|1,0,0]=3 18994 B13R1.1601 Cc1cc(c(c(c1)Br)SCCO)Br 62a_100000211926_200011219743 [0,2,0,0,0,0|1,1,0]=4 18995 B13R1.1601 Cc1cc(c(c(c1)Br)SCCO)Br 62a_200011219743_100000211926 [0,2,0,0,0,0|1,1,0]=4 18996 B13R1.1601 Cc1cc(c(c(c1)Br)SCCO)C 62a_100000211926_200012353697 [0,2,0,0,0,0|1,1,0]=4 18997 B13R1.1601 Cc1cc(c(c(c1)Br)SCCO)C 62a_200012353697_100000211926 [0,2,0,0,0,0|1,1,0]=4 18998 B13R1.1601 Cc1cc(c(c(c1)Br)SCCO)F 62a_100000211926_100010208195 [0,2,0,0,0,0|1,1,0]=4 18999 B13R1.1601 Cc1cc(c(c(c1)Br)SCCO)F 62a_100010208195_100000211926 [0,2,0,0,0,0|1,1,0]=4 19000 B13R1.1601 Cc1cc(c(c(c1)C)NCCO)C 34a_100000210045_100000211926 [0,2,0,0,0,0|2,0,0]=4 19001 B13R1.1601 Cc1cc(c(c(c1)C)NCCO)C 7a_100000210045_100000211926 [0,2,0,0,0,0|2,0,0]=4 19002 B13R1.1601 Cc1cc(c(c(c1)C)OCCF)C 34a_100000212074_100011217306 [0,2,0,0,0,0|2,0,0]=4 19003 B13R1.1601 Cc1cc(c(c(c1)C)OCCF)C 7a_100000212074_100011217306 [0,2,0,0,0,0|2,0,0]=4 19004 B13R1.1601 Cc1cc(c(c(c1)C)OCCO)C 34a_100000212074_100000211926 [0,2,0,0,0,0|1,0,0]=3 19005 B13R1.1601 Cc1cc(c(c(c1)C)OCCO)C 7a_100000212074_100000211926 [0,2,0,0,0,0|1,0,0]=3 19006 B13R1.1601 Cc1cc(c(c(c1)C)SCCO)C 62a_100000211926_100011204320 [0,2,0,0,0,0|1,1,0]=4 19007 B13R1.1601 Cc1cc(c(c(c1)C)SCCO)C 62a_100011204320_100000211926 [0,2,0,0,0,0|1,1,0]=4 19008 B13R1.1601 Cc1cc(c(c(c1)Cl)NCCO)C 34a_100000211461_100000211926 [0,2,0,0,0,0|2,0,0]=4 19009 B13R1.1601 Cc1cc(c(c(c1)Cl)NCCO)C 7a_100000211461_100000211926 [0,2,0,0,0,0|2,0,0]=4 19010 B13R1.1601 Cc1cc(c(c(c1)Cl)NCCO)Cl 34a_100011996032_100000211926 [0,2,0,0,0,0|2,0,0]=4 19011 B13R1.1601 Cc1cc(c(c(c1)Cl)NCCO)O 34a_100015906060_100000211926 [0,2,0,0,0,0|2,0,0]=4 19012 B13R1.1601 Cc1cc(c(c(c1)Cl)OCCF)Cl 34a_100000034925_100011217306 [0,2,0,0,0,0|2,0,0]=4 19013 B13R1.1601 Cc1cc(c(c(c1)Cl)OCCF)Cl 7a_100000034925_100011217306 [0,2,0,0,0,0|2,0,0]=4 19014 B13R1.1601 Cc1cc(c(c(c1)Cl)OCCO)Cl 34a_100000034925_100000211926 [0,2,0,0,0,0|1,0,0]=3 19015 B13R1.1601 Cc1cc(c(c(c1)Cl)OCCO)Cl 7a_100000034925_100000211926 [0,2,0,0,0,0|1,0,0]=3 19016 B13R1.1601 Cc1cc(c(c(c1)F)SCCO)F 62a_100000211926_100015306127 [0,2,0,0,0,0|1,1,0]=4 19017 B13R1.1601 Cc1cc(c(c(c1)F)SCCO)F 62a_100015306127_100000211926 [0,2,0,0,0,0|1,1,0]=4 19018 B13R1.1601 Cc1cc(c(c(c1)F)SCCO)N 62a_100000211926_100021129147 [0,2,0,0,0,0|1,1,0]=4 19019 B13R1.1601 Cc1cc(c(c(c1)F)SCCO)N 62a_100021129147_100000211926 [0,2,0,0,0,0|1,1,0]=4 19020 B13R1.1601 Cc1cc(c(c(c1)I)OCCF)F 34a_200135191068_100011217306 [0,2,0,0,0,0|2,0,0]=4 19021 B13R1.1601 Cc1cc(c(c(c1)I)OCCF)F 7a_200135191068_100011217306 [0,2,0,0,0,0|2,0,0]=4 19022 B13R1.1601 Cc1cc(c(c(c1)I)OCCO)F 34a_200135191068_100000211926 [0,2,0,0,0,0|1,0,0]=3 19023 B13R1.1601 Cc1cc(c(c(c1)I)OCCO)F 7a_200135191068_100000211926 [0,2,0,0,0,0|1,0,0]=3 19024 B13R1.1601 Cc1cc(c(c(c1)N)OCCF)C 34a_100011216242_100011217306 [0,2,0,0,0,0|2,0,0]=4 19025 B13R1.1601 Cc1cc(c(c(c1)N)OCCF)C 7a_100011216242_100011217306 [0,2,0,0,0,0|2,0,0]=4 19026 B13R1.1601 Cc1cc(c(c(c1)N)OCCO)C 34a_100011216242_100000211926 [0,2,0,0,0,0|1,0,0]=3 19027 B13R1.1601 Cc1cc(c(c(c1)N)OCCO)C 7a_100011216242_100000211926 [0,2,0,0,0,0|1,0,0]=3 19028 B13R1.1601 Cc1cc(c(c(c1)O)SCCO)C 62a_100000211926_100010342985 [0,2,0,0,0,0|1,1,0]=4 19029 B13R1.1601 Cc1cc(c(c(c1)O)SCCO)C 62a_100010342985_100000211926 [0,2,0,0,0,0|1,1,0]=4 19030 B13R1.1601 Cc1cc(c(c(n1)Br)OCCO)Br 34a_200010207325_100000211926 [0,2,0,0,0,0|2,0,0]=4 19031 B13R1.1601 Cc1cc(c(c(n1)Br)OCCO)Br 7a_200010207325_100000211926 [0,2,0,0,0,0|2,0,0]=4 19032 B13R1.1601 Cc1cc(cc(c1NCCF)Br)Cl 34a_100012353696_100011217306 [0,2,0,0,0,0|2,0,0]=4 19033 B13R1.1601 Cc1cc(cc(c1NCCF)Br)Cl 7a_100012353696_100011217306 [0,2,0,0,0,0|2,0,0]=4 19034 B13R1.1601 Cc1cc(cc(c1NCCF)C)Cl 34a_100000692879_100011217306 [0,2,0,0,0,0|2,0,0]=4 19035 B13R1.1601 Cc1cc(cc(c1NCCF)C)Cl 7a_100000692879_100011217306 [0,2,0,0,0,0|2,0,0]=4 19036 B13R1.1601 Cc1cc(cc(c1NCCF)Cl)Cl 34a_100011215104_100011217306 [0,2,0,0,0,0|2,0,0]=4 19037 B13R1.1601 Cc1cc(cc(c1NCCF)Cl)Cl 7a_100011215104_100011217306 [0,2,0,0,0,0|2,0,0]=4 19038 B13R1.1601 Cc1cc(cc(c1NCCF)F)Cl 34a_100012017672_100011217306 [0,2,0,0,0,0|2,0,0]=4 19039 B13R1.1601 Cc1cc(cc(c1NCCF)F)Cl 7a_100012017672_100011217306 [0,2,0,0,0,0|2,0,0]=4 19040 B13R1.1601 Cc1cc(cc(c1NCCF)I)Cl 7a_100012344046_100011217306 [0,2,0,0,0,0|2,0,0]=4 19041 B13R1.1601 Cc1cc(cc(c1NCCO)Br)Br 34a_100012047207_100000211926 [0,2,0,0,0,0|1,1,0]=4 19042 B13R1.1601 Cc1cc(cc(c1NCCO)Br)Br 7a_100012047207_100000211926 [0,2,0,0,0,0|1,1,0]=4 19043 B13R1.1601 Cc1cc(cc(c1NCCO)Br)Cl 34a_100012353696_100000211926 [0,2,0,0,0,0|1,0,0]=3 19044 B13R1.1601 Cc1cc(cc(c1NCCO)Br)Cl 7a_100012353696_100000211926 [0,2,0,0,0,0|1,0,0]=3 19045 B13R1.1601 Cc1cc(cc(c1NCCO)Br)F 34a_100011216670_100000211926 [0,2,0,0,0,0|1,1,0]=4 19046 B13R1.1601 Cc1cc(cc(c1NCCO)Br)F 7a_100011216670_100000211926 [0,2,0,0,0,0|1,1,0]=4 19047 B13R1.1601 Cc1cc(cc(c1NCCO)C)Br 34a_100000737279_100000211926 [0,2,0,0,0,0|1,1,0]=4 19048 B13R1.1601 Cc1cc(cc(c1NCCO)C)Br 7a_100000737279_100000211926 [0,2,0,0,0,0|1,1,0]=4 19049 B13R1.1601 Cc1cc(cc(c1NCCO)C)Cl 34a_100000692879_100000211926 [0,2,0,0,0,0|1,0,0]=3 19050 B13R1.1601 Cc1cc(cc(c1NCCO)C)Cl 7a_100000692879_100000211926 [0,2,0,0,0,0|1,0,0]=3 19051 B13R1.1601 Cc1cc(cc(c1NCCO)C)F 34a_100011290887_100000211926 [0,2,0,0,0,0|1,1,0]=4 19052 B13R1.1601 Cc1cc(cc(c1NCCO)C)F 7a_100011290887_100000211926 [0,2,0,0,0,0|1,1,0]=4 19053 B13R1.1601 Cc1cc(cc(c1NCCO)C)I 7a_100011356821_100000211926 [0,2,0,0,0,0|1,1,0]=4 19054 B13R1.1601 Cc1cc(cc(c1NCCO)C)O 34a_100011934200_100000211926 [0,2,0,0,0,0|2,0,0]=4 19055 B13R1.1601 Cc1cc(cc(c1NCCO)Cl)Br 34a_100000741131_100000211926 [0,2,0,0,0,0|1,1,0]=4 19056 B13R1.1601 Cc1cc(cc(c1NCCO)Cl)Br 7a_100000741131_100000211926 [0,2,0,0,0,0|1,1,0]=4 19057 B13R1.1601 Cc1cc(cc(c1NCCO)Cl)Cl 34a_100011215104_100000211926 [0,2,0,0,0,0|1,0,0]=3 19058 B13R1.1601 Cc1cc(cc(c1NCCO)Cl)Cl 7a_100011215104_100000211926 [0,2,0,0,0,0|1,0,0]=3 19059 B13R1.1601 Cc1cc(cc(c1NCCO)Cl)F 34a_100000725997_100000211926 [0,2,0,0,0,0|1,1,0]=4 19060 B13R1.1601 Cc1cc(cc(c1NCCO)Cl)F 7a_100000725997_100000211926 [0,2,0,0,0,0|1,1,0]=4 19061 B13R1.1601 Cc1cc(cc(c1NCCO)F)Br 34a_100000709789_100000211926 [0,2,0,0,0,0|1,1,0]=4 19062 B13R1.1601 Cc1cc(cc(c1NCCO)F)Br 7a_100000709789_100000211926 [0,2,0,0,0,0|1,1,0]=4 19063 B13R1.1601 Cc1cc(cc(c1NCCO)F)Cl 34a_100012017672_100000211926 [0,2,0,0,0,0|1,0,0]=3 19064 B13R1.1601 Cc1cc(cc(c1NCCO)F)Cl 7a_100012017672_100000211926 [0,2,0,0,0,0|1,0,0]=3 19065 B13R1.1601 Cc1cc(cc(c1NCCO)I)Br 7a_200000690823_100000211926 [0,2,0,0,0,0|1,1,0]=4 19066 B13R1.1601 Cc1cc(cc(c1NCCO)I)Cl 7a_100012344046_100000211926 [0,2,0,0,0,0|1,0,0]=3 19067 B13R1.1601 Cc1cc(cc(c1NCCO)O)Br 34a_100010371313_100000211926 [0,2,0,0,0,0|1,1,0]=4 19068 B13R1.1601 Cc1cc(cc(c1NCCO)O)Br 7a_100010371313_100000211926 [0,2,0,0,0,0|1,1,0]=4 19069 B13R1.1601 Cc1cc(cc(c1OCC#N)Br)Cl 7a_100012337756_100011215382 [0,2,0,0,0,0|1,0,1]=4 19070 B13R1.1601 Cc1cc(cc(c1OCC#N)C)Cl 7a_100000211519_100011215382 [0,2,0,0,0,0|1,0,1]=4 19071 B13R1.1601 Cc1cc(cc(c1OCC#N)Cl)Cl 7a_100011218458_100011215382 [0,2,0,0,0,0|1,0,1]=4 19072 B13R1.1601 Cc1cc(cc(c1OCC#N)I)Cl 7a_100012343667_100011215382 [0,2,0,0,0,0|1,0,1]=4 19073 B13R1.1601 Cc1cc(cc(c1OCC=O)Br)Cl 34a_100012337756_200009817547 [0,2,0,0,0,0|0,0,2]=4 19074 B13R1.1601 Cc1cc(cc(c1OCC=O)Br)Cl 7a_100012337756_200015260668 [0,2,0,0,0,0|0,0,2]=4 19075 B13R1.1601 Cc1cc(cc(c1OCC=O)C)Cl 34a_100000211519_200009817547 [0,2,0,0,0,0|0,0,2]=4 19076 B13R1.1601 Cc1cc(cc(c1OCC=O)C)Cl 7a_100000211519_200015260668 [0,2,0,0,0,0|0,0,2]=4 19077 B13R1.1601 Cc1cc(cc(c1OCC=O)Cl)Cl 34a_100011218458_200009817547 [0,2,0,0,0,0|0,0,2]=4 19078 B13R1.1601 Cc1cc(cc(c1OCC=O)Cl)Cl 7a_100011218458_200015260668 [0,2,0,0,0,0|0,0,2]=4 19079 B13R1.1601 Cc1cc(cc(c1OCC=O)I)Cl 34a_100012343667_200009817547 [0,2,0,0,0,0|0,0,2]=4 19080 B13R1.1601 Cc1cc(cc(c1OCC=O)I)Cl 7a_100012343667_200015260668 [0,2,0,0,0,0|0,0,2]=4 19081 B13R1.1601 Cc1cc(cc(c1OCCF)Br)Br 34a_100000186369_100011217306 [0,2,0,0,0,0|1,1,0]=4 19082 B13R1.1601 Cc1cc(cc(c1OCCF)Br)Br 7a_100000186369_100011217306 [0,2,0,0,0,0|1,1,0]=4 19083 B13R1.1601 Cc1cc(cc(c1OCCF)Br)Cl 34a_100012337756_100011217306 [0,2,0,0,0,0|1,0,0]=3 19084 B13R1.1601 Cc1cc(cc(c1OCCF)Br)Cl 7a_100012337756_100011217306 [0,2,0,0,0,0|1,0,0]=3 19085 B13R1.1601 Cc1cc(cc(c1OCCF)Br)I 34a_100010982682_100011217306 [0,2,0,0,0,0|1,1,0]=4 19086 B13R1.1601 Cc1cc(cc(c1OCCF)Br)I 7a_100010982682_100011217306 [0,2,0,0,0,0|1,1,0]=4 19087 B13R1.1601 Cc1cc(cc(c1OCCF)Br)N 34a_100010064301_100011217306 [0,2,0,0,0,0|2,0,0]=4 19088 B13R1.1601 Cc1cc(cc(c1OCCF)Br)N 7a_100010064301_100011217306 [0,2,0,0,0,0|2,0,0]=4 19089 B13R1.1601 Cc1cc(cc(c1OCCF)C)Br 34a_100000187306_100011217306 [0,2,0,0,0,0|1,1,0]=4 19090 B13R1.1601 Cc1cc(cc(c1OCCF)C)Br 7a_100000187306_100011217306 [0,2,0,0,0,0|1,1,0]=4 19091 B13R1.1601 Cc1cc(cc(c1OCCF)C)Cl 34a_100000211519_100011217306 [0,2,0,0,0,0|1,0,0]=3 19092 B13R1.1601 Cc1cc(cc(c1OCCF)C)Cl 7a_100000211519_100011217306 [0,2,0,0,0,0|1,0,0]=3 19093 B13R1.1601 Cc1cc(cc(c1OCCF)C)F 34a_100000081862_100011217306 [0,2,0,0,0,0|1,1,0]=4 19094 B13R1.1601 Cc1cc(cc(c1OCCF)C)F 7a_100000081862_100011217306 [0,2,0,0,0,0|1,1,0]=4 19095 B13R1.1601 Cc1cc(cc(c1OCCF)C)I 34a_100011216129_100011217306 [0,2,0,0,0,0|1,1,0]=4 19096 B13R1.1601 Cc1cc(cc(c1OCCF)C)I 7a_100011216129_100011217306 [0,2,0,0,0,0|1,1,0]=4 19097 B13R1.1601 Cc1cc(cc(c1OCCF)C)N 34a_100000703291_100011217306 [0,2,0,0,0,0|2,0,0]=4 19098 B13R1.1601 Cc1cc(cc(c1OCCF)C)N 7a_100000703291_100011217306 [0,2,0,0,0,0|2,0,0]=4 19099 B13R1.1601 Cc1cc(cc(c1OCCF)Cl)Br 34a_100000211485_100011217306 [0,2,0,0,0,0|1,1,0]=4 19100 B13R1.1601 Cc1cc(cc(c1OCCF)Cl)Br 7a_100000211485_100011217306 [0,2,0,0,0,0|1,1,0]=4 19101 B13R1.1601 Cc1cc(cc(c1OCCF)Cl)Cl 34a_100011218458_100011217306 [0,2,0,0,0,0|1,0,0]=3 19102 B13R1.1601 Cc1cc(cc(c1OCCF)Cl)Cl 7a_100011218458_100011217306 [0,2,0,0,0,0|1,0,0]=3 19103 B13R1.1601 Cc1cc(cc(c1OCCF)Cl)I 34a_200015900153_100011217306 [0,2,0,0,0,0|1,1,0]=4 19104 B13R1.1601 Cc1cc(cc(c1OCCF)Cl)I 7a_200015900153_100011217306 [0,2,0,0,0,0|1,1,0]=4 19105 B13R1.1601 Cc1cc(cc(c1OCCF)I)Cl 34a_100012343667_100011217306 [0,2,0,0,0,0|1,0,0]=3 19106 B13R1.1601 Cc1cc(cc(c1OCCF)I)Cl 7a_100012343667_100011217306 [0,2,0,0,0,0|1,0,0]=3 19107 B13R1.1601 Cc1cc(cc(c1OCCF)N)Br 34a_100011825904_100011217306 [0,2,0,0,0,0|1,1,0]=4 19108 B13R1.1601 Cc1cc(cc(c1OCCF)N)Br 7a_100011825904_100011217306 [0,2,0,0,0,0|1,1,0]=4 19109 B13R1.1601 Cc1cc(cc(c1OCCF)N)F 34a_100000130126_100011217306 [0,2,0,0,0,0|1,1,0]=4 19110 B13R1.1601 Cc1cc(cc(c1OCCF)N)F 7a_100000130126_100011217306 [0,2,0,0,0,0|1,1,0]=4 19111 B13R1.1601 Cc1cc(cc(c1OCCN)C)O 271570a_203496583355_100025753799 [0,2,0,0,0,0|2,0,0]=4 19112 B13R1.1601 Cc1cc(cc(c1OCCO)Br)Br 34a_100000186369_100000211926 [0,2,0,0,0,0|0,1,0]=3 19113 B13R1.1601 Cc1cc(cc(c1OCCO)Br)Br 7a_100000186369_100000211926 [0,2,0,0,0,0|0,1,0]=3 19114 B13R1.1601 Cc1cc(cc(c1OCCO)Br)Cl 34a_100012337756_100000211926 [0,2,0,0,0,0|0,0,0]=2 19115 B13R1.1601 Cc1cc(cc(c1OCCO)Br)Cl 7a_100012337756_100000211926 [0,2,0,0,0,0|0,0,0]=2 19116 B13R1.1601 Cc1cc(cc(c1OCCO)Br)I 34a_100010982682_100000211926 [0,2,0,0,0,0|0,1,0]=3 19117 B13R1.1601 Cc1cc(cc(c1OCCO)Br)I 7a_100010982682_100000211926 [0,2,0,0,0,0|0,1,0]=3 19118 B13R1.1601 Cc1cc(cc(c1OCCO)Br)N 34a_100010064301_100000211926 [0,2,0,0,0,0|1,0,0]=3 19119 B13R1.1601 Cc1cc(cc(c1OCCO)Br)N 7a_100010064301_100000211926 [0,2,0,0,0,0|1,0,0]=3 19120 B13R1.1601 Cc1cc(cc(c1OCCO)C)Br 34a_100000187306_100000211926 [0,2,0,0,0,0|0,1,0]=3 19121 B13R1.1601 Cc1cc(cc(c1OCCO)C)Br 7a_100000187306_100000211926 [0,2,0,0,0,0|0,1,0]=3 19122 B13R1.1601 Cc1cc(cc(c1OCCO)C)Cl 34a_100000211519_100000211926 [0,2,0,0,0,0|0,0,0]=2 19123 B13R1.1601 Cc1cc(cc(c1OCCO)C)Cl 7a_100000211519_100000211926 [0,2,0,0,0,0|0,0,0]=2 19124 B13R1.1601 Cc1cc(cc(c1OCCO)C)F 34a_100000081862_100000211926 [0,2,0,0,0,0|0,1,0]=3 19125 B13R1.1601 Cc1cc(cc(c1OCCO)C)F 7a_100000081862_100000211926 [0,2,0,0,0,0|0,1,0]=3 19126 B13R1.1601 Cc1cc(cc(c1OCCO)C)I 34a_100011216129_100000211926 [0,2,0,0,0,0|0,1,0]=3 19127 B13R1.1601 Cc1cc(cc(c1OCCO)C)I 7a_100011216129_100000211926 [0,2,0,0,0,0|0,1,0]=3 19128 B13R1.1601 Cc1cc(cc(c1OCCO)C)N 34a_100000703291_100000211926 [0,2,0,0,0,0|1,0,0]=3 19129 B13R1.1601 Cc1cc(cc(c1OCCO)C)N 7a_100000703291_100000211926 [0,2,0,0,0,0|1,0,0]=3 19130 B13R1.1601 Cc1cc(cc(c1OCCO)Cl)Br 34a_100000211485_100000211926 [0,2,0,0,0,0|0,1,0]=3 19131 B13R1.1601 Cc1cc(cc(c1OCCO)Cl)Br 7a_100000211485_100000211926 [0,2,0,0,0,0|0,1,0]=3 19132 B13R1.1601 Cc1cc(cc(c1OCCO)Cl)Cl 34a_100011218458_100000211926 [0,2,0,0,0,0|0,0,0]=2 19133 B13R1.1601 Cc1cc(cc(c1OCCO)Cl)Cl 7a_100011218458_100000211926 [0,2,0,0,0,0|0,0,0]=2 19134 B13R1.1601 Cc1cc(cc(c1OCCO)Cl)I 34a_200015900153_100000211926 [0,2,0,0,0,0|0,1,0]=3 19135 B13R1.1601 Cc1cc(cc(c1OCCO)Cl)I 7a_200015900153_100000211926 [0,2,0,0,0,0|0,1,0]=3 19136 B13R1.1601 Cc1cc(cc(c1OCCO)I)Cl 34a_100012343667_100000211926 [0,2,0,0,0,0|0,0,0]=2 19137 B13R1.1601 Cc1cc(cc(c1OCCO)I)Cl 7a_100012343667_100000211926 [0,2,0,0,0,0|0,0,0]=2 19138 B13R1.1601 Cc1cc(cc(c1OCCO)N)Br 34a_100011825904_100000211926 [0,2,0,0,0,0|0,1,0]=3 19139 B13R1.1601 Cc1cc(cc(c1OCCO)N)Br 7a_100011825904_100000211926 [0,2,0,0,0,0|0,1,0]=3 19140 B13R1.1601 Cc1cc(cc(c1OCCO)N)F 34a_100000130126_100000211926 [0,2,0,0,0,0|0,1,0]=3 19141 B13R1.1601 Cc1cc(cc(c1OCCO)N)F 7a_100000130126_100000211926 [0,2,0,0,0,0|0,1,0]=3 19142 B13R1.1601 Cc1cc(cc(c1SCCF)C)Cl 62a_100010244930_100011217306 [0,2,0,0,0,0|1,1,0]=4 19143 B13R1.1601 Cc1cc(cc(c1SCCF)C)Cl 62a_100011217306_100010244930 [0,2,0,0,0,0|1,1,0]=4 19144 B13R1.1601 Cc1cc(cc(c1SCCF)Cl)Cl 62a_100011217306_200000035511 [0,2,0,0,0,0|1,1,0]=4 19145 B13R1.1601 Cc1cc(cc(c1SCCF)Cl)Cl 62a_200000035511_100011217306 [0,2,0,0,0,0|1,1,0]=4 19146 B13R1.1601 Cc1cc(cc(c1SCCF)N)Cl 62a_100000698757_100011217306 [0,2,0,0,0,0|1,1,0]=4 19147 B13R1.1601 Cc1cc(cc(c1SCCF)N)Cl 62a_100011217306_100000698757 [0,2,0,0,0,0|1,1,0]=4 19148 B13R1.1601 Cc1cc(cc(c1SCCF)O)Cl 62a_100010254216_100011217306 [0,2,0,0,0,0|1,1,0]=4 19149 B13R1.1601 Cc1cc(cc(c1SCCF)O)Cl 62a_100011217306_100010254216 [0,2,0,0,0,0|1,1,0]=4 19150 B13R1.1601 Cc1cc(cc(c1SCCO)Br)Br 62a_100000211926_200010208242 [0,2,0,0,0,0|0,2,0]=4 19151 B13R1.1601 Cc1cc(cc(c1SCCO)Br)Br 62a_200010208242_100000211926 [0,2,0,0,0,0|0,2,0]=4 19152 B13R1.1601 Cc1cc(cc(c1SCCO)Br)F 62a_100000211926_100010208209 [0,2,0,0,0,0|0,2,0]=4 19153 B13R1.1601 Cc1cc(cc(c1SCCO)Br)F 62a_100010208209_100000211926 [0,2,0,0,0,0|0,2,0]=4 19154 B13R1.1601 Cc1cc(cc(c1SCCO)C)Br 62a_100000211926_100009814048 [0,2,0,0,0,0|0,2,0]=4 19155 B13R1.1601 Cc1cc(cc(c1SCCO)C)Br 62a_100009814048_100000211926 [0,2,0,0,0,0|0,2,0]=4 19156 B13R1.1601 Cc1cc(cc(c1SCCO)C)Cl 62a_100000211926_100010244930 [0,2,0,0,0,0|0,1,0]=3 19157 B13R1.1601 Cc1cc(cc(c1SCCO)C)Cl 62a_100010244930_100000211926 [0,2,0,0,0,0|0,1,0]=3 19158 B13R1.1601 Cc1cc(cc(c1SCCO)C)F 62a_100000211926_100012356666 [0,2,0,0,0,0|0,2,0]=4 19159 B13R1.1601 Cc1cc(cc(c1SCCO)C)F 62a_100012356666_100000211926 [0,2,0,0,0,0|0,2,0]=4 19160 B13R1.1601 Cc1cc(cc(c1SCCO)C)N 62a_100000211926_100000215964 [0,2,0,0,0,0|1,1,0]=4 19161 B13R1.1601 Cc1cc(cc(c1SCCO)C)N 62a_100000215964_100000211926 [0,2,0,0,0,0|1,1,0]=4 19162 B13R1.1601 Cc1cc(cc(c1SCCO)C)O 62a_100000211926_100000243743 [0,2,0,0,0,0|1,1,0]=4 19163 B13R1.1601 Cc1cc(cc(c1SCCO)C)O 62a_100000243743_100000211926 [0,2,0,0,0,0|1,1,0]=4 19164 B13R1.1601 Cc1cc(cc(c1SCCO)Cl)Cl 62a_100000211926_200000035511 [0,2,0,0,0,0|0,1,0]=3 19165 B13R1.1601 Cc1cc(cc(c1SCCO)Cl)Cl 62a_200000035511_100000211926 [0,2,0,0,0,0|0,1,0]=3 19166 B13R1.1601 Cc1cc(cc(c1SCCO)Cl)F 62a_100000211926_100010079234 [0,2,0,0,0,0|0,2,0]=4 19167 B13R1.1601 Cc1cc(cc(c1SCCO)Cl)F 62a_100010079234_100000211926 [0,2,0,0,0,0|0,2,0]=4 19168 B13R1.1601 Cc1cc(cc(c1SCCO)F)F 62a_100000211926_100015332101 [0,2,0,0,0,0|0,2,0]=4 19169 B13R1.1601 Cc1cc(cc(c1SCCO)F)F 62a_100015332101_100000211926 [0,2,0,0,0,0|0,2,0]=4 19170 B13R1.1601 Cc1cc(cc(c1SCCO)F)N 62a_100000211926_100010115923 [0,2,0,0,0,0|1,1,0]=4 19171 B13R1.1601 Cc1cc(cc(c1SCCO)F)N 62a_100010115923_100000211926 [0,2,0,0,0,0|1,1,0]=4 19172 B13R1.1601 Cc1cc(cc(c1SCCO)N)Cl 62a_100000211926_100000698757 [0,2,0,0,0,0|0,1,0]=3 19173 B13R1.1601 Cc1cc(cc(c1SCCO)N)Cl 62a_100000698757_100000211926 [0,2,0,0,0,0|0,1,0]=3 19174 B13R1.1601 Cc1cc(cc(c1SCCO)O)Cl 62a_100000211926_100010254216 [0,2,0,0,0,0|0,1,0]=3 19175 B13R1.1601 Cc1cc(cc(c1SCCO)O)Cl 62a_100010254216_100000211926 [0,2,0,0,0,0|0,1,0]=3 19176 B13R1.1601 Cc1nc(cc(c1OCCO)Br)Br 34a_200010233669_100000211926 [0,2,0,0,0,0|1,1,0]=4 19177 B13R1.1601 Cc1nc(cc(c1OCCO)Br)Br 7a_200010233669_100000211926 [0,2,0,0,0,0|1,1,0]=4 19178 B13R1.1601 FCCNc1c(cc(cc1Br)Cl)Br 34a_100000724118_100011217306 [0,2,0,0,0,0|2,0,0]=4 19179 B13R1.1601 FCCNc1c(cc(cc1Br)Cl)Cl 34a_100011218119_100011217306 [0,2,0,0,0,0|2,0,0]=4 19180 B13R1.1601 FCCNc1c(cc(cc1Br)Cl)F 34a_100011217455_100011217306 [0,2,0,0,0,0|2,0,0]=4 19181 B13R1.1601 FCCNc1c(cc(cc1Cl)Cl)Cl 34a_100000210601_100011217306 [0,2,0,0,0,0|2,0,0]=4 19182 B13R1.1601 FCCNc1c(cc(cc1Cl)Cl)F 34a_100000688862_100011217306 [0,2,0,0,0,0|2,0,0]=4 19183 B13R1.1601 FCCNc1c(cc(cc1Cl)Cl)F 7a_100000688862_100011217306 [0,2,0,0,0,0|2,0,0]=4 19184 B13R1.1601 FCCNc1c(cc(cc1F)Cl)F 34a_100000695146_100011217306 [0,2,0,0,0,0|2,0,0]=4 19185 B13R1.1601 FCCNc1c(cc(cc1F)Cl)F 7a_100000695146_100011217306 [0,2,0,0,0,0|2,0,0]=4 19186 B13R1.1601 FCCOc1c(cc(cc1Br)Br)Br 34a_100000210219_100011217306 [0,2,0,0,0,0|1,1,0]=4 19187 B13R1.1601 FCCOc1c(cc(cc1Br)Br)Br 7a_100000210219_100011217306 [0,2,0,0,0,0|1,1,0]=4 19188 B13R1.1601 FCCOc1c(cc(cc1Br)Br)Cl 34a_100012337755_100011217306 [0,2,0,0,0,0|1,1,0]=4 19189 B13R1.1601 FCCOc1c(cc(cc1Br)Br)Cl 7a_100012337755_100011217306 [0,2,0,0,0,0|1,1,0]=4 19190 B13R1.1601 FCCOc1c(cc(cc1Br)Br)F 34a_100011216695_100011217306 [0,2,0,0,0,0|1,1,0]=4 19191 B13R1.1601 FCCOc1c(cc(cc1Br)Br)F 7a_100011216695_100011217306 [0,2,0,0,0,0|1,1,0]=4 19192 B13R1.1601 FCCOc1c(cc(cc1Br)Cl)Br 34a_100012337757_100011217306 [0,2,0,0,0,0|1,0,0]=3 19193 B13R1.1601 FCCOc1c(cc(cc1Br)Cl)Br 7a_100012337757_100011217306 [0,2,0,0,0,0|1,0,0]=3 19194 B13R1.1601 FCCOc1c(cc(cc1Br)Cl)Cl 34a_200000243811_100011217306 [0,2,0,0,0,0|1,0,0]=3 19195 B13R1.1601 FCCOc1c(cc(cc1Br)Cl)Cl 7a_200000243811_100011217306 [0,2,0,0,0,0|1,0,0]=3 19196 B13R1.1601 FCCOc1c(cc(cc1Br)Cl)F 34a_100011830412_100011217306 [0,2,0,0,0,0|1,0,0]=3 19197 B13R1.1601 FCCOc1c(cc(cc1Br)Cl)F 7a_100011830412_100011217306 [0,2,0,0,0,0|1,0,0]=3 19198 B13R1.1601 FCCOc1c(cc(cc1Br)F)Br 34a_100011215434_100011217306 [0,2,0,0,0,0|1,1,0]=4 19199 B13R1.1601 FCCOc1c(cc(cc1Br)F)Br 7a_100011215434_100011217306 [0,2,0,0,0,0|1,1,0]=4 19200 B13R1.1601 FCCOc1c(cc(cc1Br)F)Cl 34a_100011830411_100011217306 [0,2,0,0,0,0|1,1,0]=4 19201 B13R1.1601 FCCOc1c(cc(cc1Br)F)Cl 7a_100011830411_100011217306 [0,2,0,0,0,0|1,1,0]=4 19202 B13R1.1601 FCCOc1c(cc(cc1Br)F)F 34a_100000688693_100011217306 [0,2,0,0,0,0|1,1,0]=4 19203 B13R1.1601 FCCOc1c(cc(cc1Br)F)F 7a_100000688693_100011217306 [0,2,0,0,0,0|1,1,0]=4 19204 B13R1.1601 FCCOc1c(cc(cc1Cl)Br)Cl 34a_100000753780_100011217306 [0,2,0,0,0,0|1,1,0]=4 19205 B13R1.1601 FCCOc1c(cc(cc1Cl)Br)Cl 7a_100000753780_100011217306 [0,2,0,0,0,0|1,1,0]=4 19206 B13R1.1601 FCCOc1c(cc(cc1Cl)Br)F 34a_100011216646_100011217306 [0,2,0,0,0,0|1,1,0]=4 19207 B13R1.1601 FCCOc1c(cc(cc1Cl)Br)F 7a_100011216646_100011217306 [0,2,0,0,0,0|1,1,0]=4 19208 B13R1.1601 FCCOc1c(cc(cc1Cl)Cl)Cl 34a_100000210218_100011217306 [0,2,0,0,0,0|1,0,0]=3 19209 B13R1.1601 FCCOc1c(cc(cc1Cl)Cl)Cl 7a_100000210218_100011217306 [0,2,0,0,0,0|1,0,0]=3 19210 B13R1.1601 FCCOc1c(cc(cc1Cl)F)Cl 34a_100011217724_100011217306 [0,2,0,0,0,0|1,1,0]=4 19211 B13R1.1601 FCCOc1c(cc(cc1Cl)F)Cl 7a_100011217724_100011217306 [0,2,0,0,0,0|1,1,0]=4 19212 B13R1.1601 FCCOc1c(cc(cc1Cl)F)F 34a_100011935252_100011217306 [0,2,0,0,0,0|1,1,0]=4 19213 B13R1.1601 FCCOc1c(cc(cc1Cl)F)F 7a_100011935252_100011217306 [0,2,0,0,0,0|1,1,0]=4 19214 B13R1.1601 FCCOc1c(cc(cc1Cl)I)Cl 7a_100012339652_100011217306 [0,2,0,0,0,0|1,1,0]=4 19215 B13R1.1601 FCCOc1c(cc(cc1F)Br)F 34a_100011216917_100011217306 [0,2,0,0,0,0|1,1,0]=4 19216 B13R1.1601 FCCOc1c(cc(cc1F)Br)F 7a_100011216917_100011217306 [0,2,0,0,0,0|1,1,0]=4 19217 B13R1.1601 FCCOc1c(cc(cc1F)Cl)F 34a_100011830429_100011217306 [0,2,0,0,0,0|1,0,0]=3 19218 B13R1.1601 FCCOc1c(cc(cc1F)Cl)F 7a_100011830429_100011217306 [0,2,0,0,0,0|1,0,0]=3 19219 B13R1.1601 FCCOc1c(cc(cc1F)F)F 34a_100011218396_100011217306 [0,2,0,0,0,0|1,1,0]=4 19220 B13R1.1601 FCCOc1c(cc(cc1F)F)F 7a_100011218396_100011217306 [0,2,0,0,0,0|1,1,0]=4 19221 B13R1.1601 FCCOc1c(cc(cc1F)I)F 34a_200011830255_100011217306 [0,2,0,0,0,0|1,1,0]=4 19222 B13R1.1601 FCCOc1c(cc(cc1F)I)F 7a_200011830255_100011217306 [0,2,0,0,0,0|1,1,0]=4 19223 B13R1.1601 FCCOc1c(cc(cc1I)Br)F 34a_100013354677_100011217306 [0,2,0,0,0,0|1,1,0]=4 19224 B13R1.1601 FCCOc1c(cc(cc1I)Br)F 7a_100013354677_100011217306 [0,2,0,0,0,0|1,1,0]=4 19225 B13R1.1601 FCCOc1c(cc(cc1I)Br)I 7a_100009997433_100011217306 [0,2,0,0,0,0|1,1,0]=4 19226 B13R1.1601 FCCOc1c(cc(cc1I)Cl)Cl 34a_200012339341_100011217306 [0,2,0,0,0,0|1,0,0]=3 19227 B13R1.1601 FCCOc1c(cc(cc1I)Cl)Cl 7a_200012339341_100011217306 [0,2,0,0,0,0|1,0,0]=3 19228 B13R1.1601 FCCOc1c(cc(cc1I)Cl)I 7a_100000730656_100011217306 [0,2,0,0,0,0|1,0,0]=3 19229 B13R1.1601 FCCOc1c(cc(cc1I)F)Br 34a_200013085147_100011217306 [0,2,0,0,0,0|1,1,0]=4 19230 B13R1.1601 FCCOc1c(cc(cc1I)F)Br 7a_200013085147_100011217306 [0,2,0,0,0,0|1,1,0]=4 19231 B13R1.1601 FCCOc1c(cc(cc1I)F)F 34a_200013204775_100011217306 [0,2,0,0,0,0|1,1,0]=4 19232 B13R1.1601 FCCOc1c(cc(cc1I)F)F 7a_200013204775_100011217306 [0,2,0,0,0,0|1,1,0]=4 19233 B13R1.1601 FCCOc1c(cc(cc1I)I)Cl 7a_100009997439_100011217306 [0,2,0,0,0,0|1,1,0]=4 19234 B13R1.1601 FCCSc1c(cc(cc1Br)Cl)Cl 62a_100011217306_200009992027 [0,2,0,0,0,0|1,1,0]=4 19235 B13R1.1601 FCCSc1c(cc(cc1Br)Cl)Cl 62a_200009992027_100011217306 [0,2,0,0,0,0|1,1,0]=4 19236 B13R1.1601 FCCSc1c(cc(cc1Br)Cl)F 62a_100009993495_100011217306 [0,2,0,0,0,0|1,1,0]=4 19237 B13R1.1601 FCCSc1c(cc(cc1Br)Cl)F 62a_100011217306_100009993495 [0,2,0,0,0,0|1,1,0]=4 19238 B13R1.1601 FCCSc1c(cc(cc1Cl)Cl)Cl 62a_100011217306_200011216440 [0,2,0,0,0,0|1,1,0]=4 19239 B13R1.1601 FCCSc1c(cc(cc1Cl)Cl)Cl 62a_200011216440_100011217306 [0,2,0,0,0,0|1,1,0]=4 19240 B13R1.1601 N#CCOc1c(cc(cc1Br)Cl)Br 7a_100012337757_100011215382 [0,2,0,0,0,0|1,0,1]=4 19241 B13R1.1601 N#CCOc1c(cc(cc1Br)Cl)Cl 7a_200000243811_100011215382 [0,2,0,0,0,0|1,0,1]=4 19242 B13R1.1601 N#CCOc1c(cc(cc1Br)Cl)F 7a_100011830412_100011215382 [0,2,0,0,0,0|1,0,1]=4 19243 B13R1.1601 N#CCOc1c(cc(cc1Br)Cl)N 7a_106741647128_100011215382 [0,2,0,0,0,0|1,0,1]=4 19244 B13R1.1601 N#CCOc1c(cc(cc1Cl)Cl)Cl 7a_100000210218_100011215382 [0,2,0,0,0,0|1,0,1]=4 19245 B13R1.1601 N#CCOc1c(cc(cc1Cl)Cl)N 7a_100000695819_100011215382 [0,2,0,0,0,0|1,0,1]=4 19246 B13R1.1601 N#CCOc1c(cc(cc1F)Cl)F 7a_100011830429_100011215382 [0,2,0,0,0,0|1,0,1]=4 19247 B13R1.1601 N#CCOc1c(cc(cc1I)Cl)Cl 7a_200012339341_100011215382 [0,2,0,0,0,0|1,0,1]=4 19248 B13R1.1601 N#CCOc1c(cc(cc1I)Cl)I 7a_100000730656_100011215382 [0,2,0,0,0,0|1,0,1]=4 19249 B13R1.1601 Nc1cc(c(c(c1)Br)OCCF)Br 34a_200000186426_100011217306 [0,2,0,0,0,0|2,0,0]=4 19250 B13R1.1601 Nc1cc(c(c(c1)Br)OCCO)Br 34a_200000186426_100000211926 [0,2,0,0,0,0|1,0,0]=3 19251 B13R1.1601 Nc1cc(c(c(c1)Cl)OCCF)Cl 34a_100000695418_100011217306 [0,2,0,0,0,0|2,0,0]=4 19252 B13R1.1601 Nc1cc(c(c(c1)Cl)OCCF)Cl 7a_100000695418_100011217306 [0,2,0,0,0,0|2,0,0]=4 19253 B13R1.1601 Nc1cc(c(c(c1)Cl)OCCO)Cl 34a_100000695418_100000211926 [0,2,0,0,0,0|1,0,0]=3 19254 B13R1.1601 Nc1cc(c(c(c1)Cl)OCCO)Cl 7a_100000695418_100000211926 [0,2,0,0,0,0|1,0,0]=3 19255 B13R1.1601 Nc1cc(c(c(c1)Cl)SCCO)F 62a_100000211926_100014833993 [0,2,0,0,0,0|1,1,0]=4 19256 B13R1.1601 Nc1cc(c(c(c1)Cl)SCCO)F 62a_100014833993_100000211926 [0,2,0,0,0,0|1,1,0]=4 19257 B13R1.1601 Nc1cc(c(c(c1)F)OCCF)F 34a_100016987357_100011217306 [0,2,0,0,0,0|2,0,0]=4 19258 B13R1.1601 Nc1cc(c(c(c1)F)OCCF)F 7a_100016987357_100011217306 [0,2,0,0,0,0|2,0,0]=4 19259 B13R1.1601 Nc1cc(c(c(c1)F)OCCO)F 34a_100016987357_100000211926 [0,2,0,0,0,0|1,0,0]=3 19260 B13R1.1601 Nc1cc(c(c(c1)F)OCCO)F 7a_100016987357_100000211926 [0,2,0,0,0,0|1,0,0]=3 19261 B13R1.1601 Nc1cc(c(c(c1)F)SCCO)F 62a_100000057532_100000211926 [0,2,0,0,0,0|1,1,0]=4 19262 B13R1.1601 Nc1cc(c(c(c1)F)SCCO)F 62a_100000211926_100000057532 [0,2,0,0,0,0|1,1,0]=4 19263 B13R1.1601 Nc1cc(cc(c1OCC=O)Br)Cl 34a_106741647128_200009817547 [0,2,0,0,0,0|0,0,2]=4 19264 B13R1.1601 Nc1cc(cc(c1OCC=O)Br)Cl 7a_106741647128_200015260668 [0,2,0,0,0,0|0,0,2]=4 19265 B13R1.1601 Nc1cc(cc(c1OCC=O)Cl)Cl 34a_100000695819_200009817547 [0,2,0,0,0,0|0,0,2]=4 19266 B13R1.1601 Nc1cc(cc(c1OCC=O)Cl)Cl 7a_100000695819_200015260668 [0,2,0,0,0,0|0,0,2]=4 19267 B13R1.1601 Nc1cc(cc(c1OCCF)Br)Br 34a_100010781877_100011217306 [0,2,0,0,0,0|1,1,0]=4 19268 B13R1.1601 Nc1cc(cc(c1OCCF)Br)Br 7a_100010781877_100011217306 [0,2,0,0,0,0|1,1,0]=4 19269 B13R1.1601 Nc1cc(cc(c1OCCF)Br)Cl 34a_106741647128_100011217306 [0,2,0,0,0,0|1,0,0]=3 19270 B13R1.1601 Nc1cc(cc(c1OCCF)Br)Cl 7a_106741647128_100011217306 [0,2,0,0,0,0|1,0,0]=3 19271 B13R1.1601 Nc1cc(cc(c1OCCF)Br)F 34a_200011217456_100011217306 [0,2,0,0,0,0|1,1,0]=4 19272 B13R1.1601 Nc1cc(cc(c1OCCF)Br)F 7a_200011217456_100011217306 [0,2,0,0,0,0|1,1,0]=4 19273 B13R1.1601 Nc1cc(cc(c1OCCF)Cl)Br 34a_100000694353_100011217306 [0,2,0,0,0,0|1,1,0]=4 19274 B13R1.1601 Nc1cc(cc(c1OCCF)Cl)Br 7a_100000694353_100011217306 [0,2,0,0,0,0|1,1,0]=4 19275 B13R1.1601 Nc1cc(cc(c1OCCF)Cl)Cl 34a_100000695819_100011217306 [0,2,0,0,0,0|1,0,0]=3 19276 B13R1.1601 Nc1cc(cc(c1OCCF)Cl)Cl 7a_100000695819_100011217306 [0,2,0,0,0,0|1,0,0]=3 19277 B13R1.1601 Nc1cc(cc(c1OCCF)F)Br 34a_100011217383_100011217306 [0,2,0,0,0,0|1,1,0]=4 19278 B13R1.1601 Nc1cc(cc(c1OCCF)F)Br 7a_100011217383_100011217306 [0,2,0,0,0,0|1,1,0]=4 19279 B13R1.1601 Nc1cc(cc(c1OCCF)F)F 34a_100015205836_100011217306 [0,2,0,0,0,0|1,1,0]=4 19280 B13R1.1601 Nc1cc(cc(c1OCCF)F)F 7a_100015205836_100011217306 [0,2,0,0,0,0|1,1,0]=4 19281 B13R1.1601 Nc1cc(cc(c1OCCF)I)Br 7a_100016071998_100011217306 [0,2,0,0,0,0|1,1,0]=4 19282 B13R1.1601 Nc1cc(cc(c1OCCO)Br)Br 34a_100010781877_100000211926 [0,2,0,0,0,0|0,1,0]=3 19283 B13R1.1601 Nc1cc(cc(c1OCCO)Br)Br 7a_100010781877_100000211926 [0,2,0,0,0,0|0,1,0]=3 19284 B13R1.1601 Nc1cc(cc(c1OCCO)Br)Cl 34a_106741647128_100000211926 [0,2,0,0,0,0|0,0,0]=2 19285 B13R1.1601 Nc1cc(cc(c1OCCO)Br)Cl 7a_106741647128_100000211926 [0,2,0,0,0,0|0,0,0]=2 19286 B13R1.1601 Nc1cc(cc(c1OCCO)Br)F 34a_200011217456_100000211926 [0,2,0,0,0,0|0,1,0]=3 19287 B13R1.1601 Nc1cc(cc(c1OCCO)Br)F 7a_200011217456_100000211926 [0,2,0,0,0,0|0,1,0]=3 19288 B13R1.1601 Nc1cc(cc(c1OCCO)Cl)Br 34a_100000694353_100000211926 [0,2,0,0,0,0|0,1,0]=3 19289 B13R1.1601 Nc1cc(cc(c1OCCO)Cl)Br 7a_100000694353_100000211926 [0,2,0,0,0,0|0,1,0]=3 19290 B13R1.1601 Nc1cc(cc(c1OCCO)Cl)Cl 34a_100000695819_100000211926 [0,2,0,0,0,0|0,0,0]=2 19291 B13R1.1601 Nc1cc(cc(c1OCCO)Cl)Cl 7a_100000695819_100000211926 [0,2,0,0,0,0|0,0,0]=2 19292 B13R1.1601 Nc1cc(cc(c1OCCO)F)Br 34a_100011217383_100000211926 [0,2,0,0,0,0|0,1,0]=3 19293 B13R1.1601 Nc1cc(cc(c1OCCO)F)Br 7a_100011217383_100000211926 [0,2,0,0,0,0|0,1,0]=3 19294 B13R1.1601 Nc1cc(cc(c1OCCO)F)F 34a_100015205836_100000211926 [0,2,0,0,0,0|0,1,0]=3 19295 B13R1.1601 Nc1cc(cc(c1OCCO)F)F 7a_100015205836_100000211926 [0,2,0,0,0,0|0,1,0]=3 19296 B13R1.1601 Nc1cc(cc(c1OCCO)I)Br 7a_100016071998_100000211926 [0,2,0,0,0,0|0,1,0]=3 19297 B13R1.1601 Nc1cc(cc(c1SCCF)Br)Cl 62a_100011155807_100011217306 [0,2,0,0,0,0|1,1,0]=4 19298 B13R1.1601 Nc1cc(cc(c1SCCF)Br)Cl 62a_100011217306_100011155807 [0,2,0,0,0,0|1,1,0]=4 19299 B13R1.1601 Nc1cc(cc(c1SCCF)F)Cl 62a_100011217306_200021297760 [0,2,0,0,0,0|1,1,0]=4 19300 B13R1.1601 Nc1cc(cc(c1SCCF)F)Cl 62a_200021297760_100011217306 [0,2,0,0,0,0|1,1,0]=4 19301 B13R1.1601 Nc1cc(cc(c1SCCO)Br)Cl 62a_100000211926_100011155807 [0,2,0,0,0,0|0,1,0]=3 19302 B13R1.1601 Nc1cc(cc(c1SCCO)Br)Cl 62a_100011155807_100000211926 [0,2,0,0,0,0|0,1,0]=3 19303 B13R1.1601 Nc1cc(cc(c1SCCO)Br)F 62a_100000211926_200010740111 [0,2,0,0,0,0|0,2,0]=4 19304 B13R1.1601 Nc1cc(cc(c1SCCO)Br)F 62a_200010740111_100000211926 [0,2,0,0,0,0|0,2,0]=4 19305 B13R1.1601 Nc1cc(cc(c1SCCO)F)Cl 62a_100000211926_200021297760 [0,2,0,0,0,0|0,1,0]=3 19306 B13R1.1601 Nc1cc(cc(c1SCCO)F)Cl 62a_200021297760_100000211926 [0,2,0,0,0,0|0,1,0]=3 19307 B13R1.1601 Nc1cc(cc(c1SCCO)F)F 62a_100000211926_100000716482 [0,2,0,0,0,0|0,2,0]=4 19308 B13R1.1601 Nc1cc(cc(c1SCCO)F)F 62a_100000716482_100000211926 [0,2,0,0,0,0|0,2,0]=4 19309 B13R1.1601 Nc1cc(nc(c1SCCO)Cl)Cl 62a_100000211926_100021004378 [0,2,0,0,0,0|1,1,0]=4 19310 B13R1.1601 Nc1cc(nc(c1SCCO)Cl)Cl 62a_100021004378_100000211926 [0,2,0,0,0,0|1,1,0]=4 19311 B13R1.1601 O=CCOc1c(cc(cc1Br)Cl)Br 34a_100012337757_200009817547 [0,2,0,0,0,0|0,0,2]=4 19312 B13R1.1601 O=CCOc1c(cc(cc1Br)Cl)Br 7a_100012337757_200015260668 [0,2,0,0,0,0|0,0,2]=4 19313 B13R1.1601 O=CCOc1c(cc(cc1Br)Cl)Cl 34a_200000243811_200009817547 [0,2,0,0,0,0|0,0,2]=4 19314 B13R1.1601 O=CCOc1c(cc(cc1Br)Cl)Cl 7a_200000243811_200015260668 [0,2,0,0,0,0|0,0,2]=4 19315 B13R1.1601 O=CCOc1c(cc(cc1Br)Cl)F 34a_100011830412_200009817547 [0,2,0,0,0,0|0,0,2]=4 19316 B13R1.1601 O=CCOc1c(cc(cc1Br)Cl)F 7a_100011830412_200015260668 [0,2,0,0,0,0|0,0,2]=4 19317 B13R1.1601 O=CCOc1c(cc(cc1Cl)Cl)Cl 34a_100000210218_200009817547 [0,2,0,0,0,0|0,0,2]=4 19318 B13R1.1601 O=CCOc1c(cc(cc1Cl)Cl)Cl 7a_100000210218_200015260668 [0,2,0,0,0,0|0,0,2]=4 19319 B13R1.1601 O=CCOc1c(cc(cc1F)Cl)F 34a_100011830429_200009817547 [0,2,0,0,0,0|0,0,2]=4 19320 B13R1.1601 O=CCOc1c(cc(cc1F)Cl)F 7a_100011830429_200015260668 [0,2,0,0,0,0|0,0,2]=4 19321 B13R1.1601 O=CCOc1c(cc(cc1I)Cl)Cl 34a_200012339341_200009817547 [0,2,0,0,0,0|0,0,2]=4 19322 B13R1.1601 O=CCOc1c(cc(cc1I)Cl)Cl 7a_200012339341_200015260668 [0,2,0,0,0,0|0,0,2]=4 19323 B13R1.1601 O=CCOc1c(cc(cc1I)Cl)I 7a_100000730656_200015260668 [0,2,0,0,0,0|0,0,2]=4 19324 B13R1.1601 OCCNc1c(cc(cc1Br)Br)Cl 34a_100011216035_100000211926 [0,2,0,0,0,0|1,1,0]=4 19325 B13R1.1601 OCCNc1c(cc(cc1Br)Br)F 34a_100011215609_100000211926 [0,2,0,0,0,0|1,1,0]=4 19326 B13R1.1601 OCCNc1c(cc(cc1Br)Cl)Br 34a_100000724118_100000211926 [0,2,0,0,0,0|1,0,0]=3 19327 B13R1.1601 OCCNc1c(cc(cc1Br)Cl)Cl 34a_100011218119_100000211926 [0,2,0,0,0,0|1,0,0]=3 19328 B13R1.1601 OCCNc1c(cc(cc1Br)Cl)F 34a_100011217455_100000211926 [0,2,0,0,0,0|1,0,0]=3 19329 B13R1.1601 OCCNc1c(cc(cc1Br)F)Br 34a_100000211720_100000211926 [0,2,0,0,0,0|1,1,0]=4 19330 B13R1.1601 OCCNc1c(cc(cc1Br)F)Cl 34a_100000694656_100000211926 [0,2,0,0,0,0|1,1,0]=4 19331 B13R1.1601 OCCNc1c(cc(cc1Br)F)F 34a_100000211602_100000211926 [0,2,0,0,0,0|1,1,0]=4 19332 B13R1.1601 OCCNc1c(cc(cc1Cl)Br)Cl 34a_100000211608_100000211926 [0,2,0,0,0,0|1,1,0]=4 19333 B13R1.1601 OCCNc1c(cc(cc1Cl)Br)F 34a_100000725741_100000211926 [0,2,0,0,0,0|1,1,0]=4 19334 B13R1.1601 OCCNc1c(cc(cc1Cl)Br)F 7a_100000725741_100000211926 [0,2,0,0,0,0|1,1,0]=4 19335 B13R1.1601 OCCNc1c(cc(cc1Cl)Cl)Cl 34a_100000210601_100000211926 [0,2,0,0,0,0|1,0,0]=3 19336 B13R1.1601 OCCNc1c(cc(cc1Cl)Cl)F 34a_100000688862_100000211926 [0,2,0,0,0,0|1,0,0]=3 19337 B13R1.1601 OCCNc1c(cc(cc1Cl)Cl)F 7a_100000688862_100000211926 [0,2,0,0,0,0|1,0,0]=3 19338 B13R1.1601 OCCNc1c(cc(cc1Cl)F)Cl 34a_100000688861_100000211926 [0,2,0,0,0,0|1,1,0]=4 19339 B13R1.1601 OCCNc1c(cc(cc1Cl)F)F 34a_100000688773_100000211926 [0,2,0,0,0,0|1,1,0]=4 19340 B13R1.1601 OCCNc1c(cc(cc1F)Br)F 34a_100000758902_100000211926 [0,2,0,0,0,0|1,1,0]=4 19341 B13R1.1601 OCCNc1c(cc(cc1F)Br)F 7a_100000758902_100000211926 [0,2,0,0,0,0|1,1,0]=4 19342 B13R1.1601 OCCNc1c(cc(cc1F)Br)O 34a_100015475841_100000211926 [0,2,0,0,0,0|1,1,0]=4 19343 B13R1.1601 OCCNc1c(cc(cc1F)Cl)F 34a_100000695146_100000211926 [0,2,0,0,0,0|1,0,0]=3 19344 B13R1.1601 OCCNc1c(cc(cc1F)Cl)F 7a_100000695146_100000211926 [0,2,0,0,0,0|1,0,0]=3 19345 B13R1.1601 OCCNc1c(cc(cc1F)Cl)O 34a_100010883250_100000211926 [0,2,0,0,0,0|1,0,0]=3 19346 B13R1.1601 OCCNc1c(cc(cc1F)Cl)O 7a_100010883250_100000211926 [0,2,0,0,0,0|1,0,0]=3 19347 B13R1.1601 OCCNc1c(cc(cc1F)F)F 34a_100000760425_100000211926 [0,2,0,0,0,0|1,1,0]=4 19348 B13R1.1601 OCCNc1c(cc(cc1F)F)O 34a_100011217947_100000211926 [0,2,0,0,0,0|1,1,0]=4 19349 B13R1.1601 OCCNc1c(cc(cc1F)F)O 7a_100011217947_100000211926 [0,2,0,0,0,0|1,1,0]=4 19350 B13R1.1601 OCCNc1c(cc(cc1F)I)F 34a_100012353610_100000211926 [0,2,0,0,0,0|1,1,0]=4 19351 B13R1.1601 OCCNc1c(cc(cc1F)O)F 34a_100000036573_100000211926 [0,2,0,0,0,0|2,0,0]=4 19352 B13R1.1601 OCCNc1c(cc(cc1I)F)F 34a_100102885649_100000211926 [0,2,0,0,0,0|1,1,0]=4 19353 B13R1.1601 OCCOc1c(cc(cc1Br)Br)Br 34a_100000210219_100000211926 [0,2,0,0,0,0|0,1,0]=3 19354 B13R1.1601 OCCOc1c(cc(cc1Br)Br)Br 7a_100000210219_100000211926 [0,2,0,0,0,0|0,1,0]=3 19355 B13R1.1601 OCCOc1c(cc(cc1Br)Br)Cl 34a_100012337755_100000211926 [0,2,0,0,0,0|0,1,0]=3 19356 B13R1.1601 OCCOc1c(cc(cc1Br)Br)Cl 7a_100012337755_100000211926 [0,2,0,0,0,0|0,1,0]=3 19357 B13R1.1601 OCCOc1c(cc(cc1Br)Br)F 34a_100011216695_100000211926 [0,2,0,0,0,0|0,1,0]=3 19358 B13R1.1601 OCCOc1c(cc(cc1Br)Br)F 7a_100011216695_100000211926 [0,2,0,0,0,0|0,1,0]=3 19359 B13R1.1601 OCCOc1c(cc(cc1Br)Cl)Br 34a_100012337757_100000211926 [0,2,0,0,0,0|0,0,0]=2 19360 B13R1.1601 OCCOc1c(cc(cc1Br)Cl)Br 7a_100012337757_100000211926 [0,2,0,0,0,0|0,0,0]=2 19361 B13R1.1601 OCCOc1c(cc(cc1Br)Cl)Cl 34a_200000243811_100000211926 [0,2,0,0,0,0|0,0,0]=2 19362 B13R1.1601 OCCOc1c(cc(cc1Br)Cl)Cl 7a_200000243811_100000211926 [0,2,0,0,0,0|0,0,0]=2 19363 B13R1.1601 OCCOc1c(cc(cc1Br)Cl)F 34a_100011830412_100000211926 [0,2,0,0,0,0|0,0,0]=2 19364 B13R1.1601 OCCOc1c(cc(cc1Br)Cl)F 7a_100011830412_100000211926 [0,2,0,0,0,0|0,0,0]=2 19365 B13R1.1601 OCCOc1c(cc(cc1Br)F)Br 34a_100011215434_100000211926 [0,2,0,0,0,0|0,1,0]=3 19366 B13R1.1601 OCCOc1c(cc(cc1Br)F)Br 7a_100011215434_100000211926 [0,2,0,0,0,0|0,1,0]=3 19367 B13R1.1601 OCCOc1c(cc(cc1Br)F)Cl 34a_100011830411_100000211926 [0,2,0,0,0,0|0,1,0]=3 19368 B13R1.1601 OCCOc1c(cc(cc1Br)F)Cl 7a_100011830411_100000211926 [0,2,0,0,0,0|0,1,0]=3 19369 B13R1.1601 OCCOc1c(cc(cc1Br)F)F 34a_100000688693_100000211926 [0,2,0,0,0,0|0,1,0]=3 19370 B13R1.1601 OCCOc1c(cc(cc1Br)F)F 7a_100000688693_100000211926 [0,2,0,0,0,0|0,1,0]=3 19371 B13R1.1601 OCCOc1c(cc(cc1Cl)Br)Cl 34a_100000753780_100000211926 [0,2,0,0,0,0|0,1,0]=3 19372 B13R1.1601 OCCOc1c(cc(cc1Cl)Br)Cl 7a_100000753780_100000211926 [0,2,0,0,0,0|0,1,0]=3 19373 B13R1.1601 OCCOc1c(cc(cc1Cl)Br)F 34a_100011216646_100000211926 [0,2,0,0,0,0|0,1,0]=3 19374 B13R1.1601 OCCOc1c(cc(cc1Cl)Br)F 7a_100011216646_100000211926 [0,2,0,0,0,0|0,1,0]=3 19375 B13R1.1601 OCCOc1c(cc(cc1Cl)Cl)Cl 34a_100000210218_100000211926 [0,2,0,0,0,0|0,0,0]=2 19376 B13R1.1601 OCCOc1c(cc(cc1Cl)Cl)Cl 7a_100000210218_100000211926 [0,2,0,0,0,0|0,0,0]=2 19377 B13R1.1601 OCCOc1c(cc(cc1Cl)F)Cl 34a_100011217724_100000211926 [0,2,0,0,0,0|0,1,0]=3 19378 B13R1.1601 OCCOc1c(cc(cc1Cl)F)Cl 7a_100011217724_100000211926 [0,2,0,0,0,0|0,1,0]=3 19379 B13R1.1601 OCCOc1c(cc(cc1Cl)F)F 34a_100011935252_100000211926 [0,2,0,0,0,0|0,1,0]=3 19380 B13R1.1601 OCCOc1c(cc(cc1Cl)F)F 7a_100011935252_100000211926 [0,2,0,0,0,0|0,1,0]=3 19381 B13R1.1601 OCCOc1c(cc(cc1Cl)I)Cl 7a_100012339652_100000211926 [0,2,0,0,0,0|0,1,0]=3 19382 B13R1.1601 OCCOc1c(cc(cc1F)Br)F 34a_100011216917_100000211926 [0,2,0,0,0,0|0,1,0]=3 19383 B13R1.1601 OCCOc1c(cc(cc1F)Br)F 7a_100011216917_100000211926 [0,2,0,0,0,0|0,1,0]=3 19384 B13R1.1601 OCCOc1c(cc(cc1F)Cl)F 34a_100011830429_100000211926 [0,2,0,0,0,0|0,0,0]=2 19385 B13R1.1601 OCCOc1c(cc(cc1F)Cl)F 7a_100011830429_100000211926 [0,2,0,0,0,0|0,0,0]=2 19386 B13R1.1601 OCCOc1c(cc(cc1F)F)F 34a_100011218396_100000211926 [0,2,0,0,0,0|0,1,0]=3 19387 B13R1.1601 OCCOc1c(cc(cc1F)F)F 7a_100011218396_100000211926 [0,2,0,0,0,0|0,1,0]=3 19388 B13R1.1601 OCCOc1c(cc(cc1F)I)F 34a_200011830255_100000211926 [0,2,0,0,0,0|0,1,0]=3 19389 B13R1.1601 OCCOc1c(cc(cc1F)I)F 7a_200011830255_100000211926 [0,2,0,0,0,0|0,1,0]=3 19390 B13R1.1601 OCCOc1c(cc(cc1I)Br)F 34a_100013354677_100000211926 [0,2,0,0,0,0|0,1,0]=3 19391 B13R1.1601 OCCOc1c(cc(cc1I)Br)F 7a_100013354677_100000211926 [0,2,0,0,0,0|0,1,0]=3 19392 B13R1.1601 OCCOc1c(cc(cc1I)Br)I 7a_100009997433_100000211926 [0,2,0,0,0,0|0,1,0]=3 19393 B13R1.1601 OCCOc1c(cc(cc1I)Cl)Cl 34a_200012339341_100000211926 [0,2,0,0,0,0|0,0,0]=2 19394 B13R1.1601 OCCOc1c(cc(cc1I)Cl)Cl 7a_200012339341_100000211926 [0,2,0,0,0,0|0,0,0]=2 19395 B13R1.1601 OCCOc1c(cc(cc1I)Cl)I 7a_100000730656_100000211926 [0,2,0,0,0,0|0,0,0]=2 19396 B13R1.1601 OCCOc1c(cc(cc1I)F)Br 34a_200013085147_100000211926 [0,2,0,0,0,0|0,1,0]=3 19397 B13R1.1601 OCCOc1c(cc(cc1I)F)Br 7a_200013085147_100000211926 [0,2,0,0,0,0|0,1,0]=3 19398 B13R1.1601 OCCOc1c(cc(cc1I)F)F 34a_200013204775_100000211926 [0,2,0,0,0,0|0,1,0]=3 19399 B13R1.1601 OCCOc1c(cc(cc1I)F)F 7a_200013204775_100000211926 [0,2,0,0,0,0|0,1,0]=3 19400 B13R1.1601 OCCOc1c(cc(cc1I)I)Cl 7a_100009997439_100000211926 [0,2,0,0,0,0|0,1,0]=3 19401 B13R1.1601 OCCOc1c(cc(nc1Br)F)Br 34a_200015805819_100000211926 [0,2,0,0,0,0|1,1,0]=4 19402 B13R1.1601 OCCOc1c(cc(nc1Br)F)Br 7a_200015805819_100000211926 [0,2,0,0,0,0|1,1,0]=4 19403 B13R1.1601 OCCOc1c(cc(nc1F)Br)Br 34a_200010191512_100000211926 [0,2,0,0,0,0|1,1,0]=4 19404 B13R1.1601 OCCOc1c(cc(nc1F)Br)Br 7a_200010191512_100000211926 [0,2,0,0,0,0|1,1,0]=4 19405 B13R1.1601 OCCSc1c(cc(cc1Br)Br)Br 62a_100000211926_100011263223 [0,2,0,0,0,0|0,2,0]=4 19406 B13R1.1601 OCCSc1c(cc(cc1Br)Br)Br 62a_100011263223_100000211926 [0,2,0,0,0,0|0,2,0]=4 19407 B13R1.1601 OCCSc1c(cc(cc1Br)Br)F 62a_100000211926_100000708766 [0,2,0,0,0,0|0,2,0]=4 19408 B13R1.1601 OCCSc1c(cc(cc1Br)Br)F 62a_100000708766_100000211926 [0,2,0,0,0,0|0,2,0]=4 19409 B13R1.1601 OCCSc1c(cc(cc1Br)Cl)Cl 62a_100000211926_200009992027 [0,2,0,0,0,0|0,1,0]=3 19410 B13R1.1601 OCCSc1c(cc(cc1Br)Cl)Cl 62a_200009992027_100000211926 [0,2,0,0,0,0|0,1,0]=3 19411 B13R1.1601 OCCSc1c(cc(cc1Br)Cl)F 62a_100000211926_100009993495 [0,2,0,0,0,0|0,1,0]=3 19412 B13R1.1601 OCCSc1c(cc(cc1Br)Cl)F 62a_100009993495_100000211926 [0,2,0,0,0,0|0,1,0]=3 19413 B13R1.1601 OCCSc1c(cc(cc1Br)F)Br 62a_100000211926_100009813983 [0,2,0,0,0,0|0,2,0]=4 19414 B13R1.1601 OCCSc1c(cc(cc1Br)F)Br 62a_100009813983_100000211926 [0,2,0,0,0,0|0,2,0]=4 19415 B13R1.1601 OCCSc1c(cc(cc1Br)F)Cl 62a_100000211926_100012356682 [0,2,0,0,0,0|0,2,0]=4 19416 B13R1.1601 OCCSc1c(cc(cc1Br)F)Cl 62a_100012356682_100000211926 [0,2,0,0,0,0|0,2,0]=4 19417 B13R1.1601 OCCSc1c(cc(cc1Br)F)F 62a_100000211926_100000720994 [0,2,0,0,0,0|0,2,0]=4 19418 B13R1.1601 OCCSc1c(cc(cc1Br)F)F 62a_100000720994_100000211926 [0,2,0,0,0,0|0,2,0]=4 19419 B13R1.1601 OCCSc1c(cc(cc1Cl)Br)Cl 62a_100000211926_200011263224 [0,2,0,0,0,0|0,2,0]=4 19420 B13R1.1601 OCCSc1c(cc(cc1Cl)Br)Cl 62a_200011263224_100000211926 [0,2,0,0,0,0|0,2,0]=4 19421 B13R1.1601 OCCSc1c(cc(cc1Cl)Br)F 62a_100000211926_100010212234 [0,2,0,0,0,0|0,2,0]=4 19422 B13R1.1601 OCCSc1c(cc(cc1Cl)Br)F 62a_100010212234_100000211926 [0,2,0,0,0,0|0,2,0]=4 19423 B13R1.1601 OCCSc1c(cc(cc1Cl)Cl)Cl 62a_100000211926_200011216440 [0,2,0,0,0,0|0,1,0]=3 19424 B13R1.1601 OCCSc1c(cc(cc1Cl)Cl)Cl 62a_200011216440_100000211926 [0,2,0,0,0,0|0,1,0]=3 19425 B13R1.1601 OCCSc1c(cc(cc1Cl)F)Cl 62a_100000211926_100010175091 [0,2,0,0,0,0|0,2,0]=4 19426 B13R1.1601 OCCSc1c(cc(cc1Cl)F)Cl 62a_100010175091_100000211926 [0,2,0,0,0,0|0,2,0]=4 19427 B13R1.1601 OCCSc1c(cc(cc1F)Br)F 62a_100000211926_100009813614 [0,2,0,0,0,0|0,2,0]=4 19428 B13R1.1601 OCCSc1c(cc(cc1F)Br)F 62a_100009813614_100000211926 [0,2,0,0,0,0|0,2,0]=4 19429 B13R1.1601 OCCSc1c(cc(cc1F)F)F 62a_100000211926_100000243675 [0,2,0,0,0,0|0,2,0]=4 19430 B13R1.1601 OCCSc1c(cc(cc1F)F)F 62a_100000243675_100000211926 [0,2,0,0,0,0|0,2,0]=4 19431 B13R1.1601 OCCSc1c(cc(cc1F)F)O 62a_100000211926_100009815984 [0,2,0,0,0,0|0,2,0]=4 19432 B13R1.1601 OCCSc1c(cc(cc1F)F)O 62a_100009815984_100000211926 [0,2,0,0,0,0|0,2,0]=4 19433 B13R1.1601 OCCSc1c(cc(cc1F)O)F 62a_100000211926_100009816007 [0,2,0,0,0,0|1,1,0]=4 19434 B13R1.1601 OCCSc1c(cc(cc1F)O)F 62a_100009816007_100000211926 [0,2,0,0,0,0|1,1,0]=4 19435 B13R1.1601 OCCSc1c(cc(cc1O)O)O 62a_100000211926_200010341185 [0,2,0,0,0,0|1,1,0]=4 19436 B13R1.1601 Oc1cc(cc(c1NCCF)F)Cl 34a_100010883250_100011217306 [0,2,0,0,0,0|2,0,0]=4 19437 B13R1.1601 Oc1cc(cc(c1NCCF)F)Cl 7a_100010883250_100011217306 [0,2,0,0,0,0|2,0,0]=4 19438 B13R1.1630 C#CCOc1cc(c(cc1Br)Cl)C 34a_100022700756_100000184674 [0,2,0,0,0,0|1,0,1]=4 19439 B13R1.1630 C#CCOc1cc(c(cc1Br)Cl)C 7a_100022700756_100000038162 [0,2,0,0,0,0|1,0,1]=4 19440 B13R1.1630 C#CCOc1cc(c(cc1C)Cl)N 34a_100000092876_100000184674 [0,2,0,0,0,0|1,0,1]=4 19441 B13R1.1630 C#CCOc1cc(c(cc1C)Cl)N 7a_100000092876_100000038162 [0,2,0,0,0,0|1,0,1]=4 19442 B13R1.1630 C#CCOc1cc(c(cc1Cl)Cl)Br 34a_100010203734_100000184674 [0,2,0,0,0,0|1,0,1]=4 19443 B13R1.1630 C#CCOc1cc(c(cc1Cl)Cl)Br 7a_100010203734_100000038162 [0,2,0,0,0,0|1,0,1]=4 19444 B13R1.1630 C#CCOc1cc(c(cc1Cl)Cl)C 34a_100012002691_100000184674 [0,2,0,0,0,0|1,0,1]=4 19445 B13R1.1630 C#CCOc1cc(c(cc1Cl)Cl)C 7a_100012002691_100000038162 [0,2,0,0,0,0|1,0,1]=4 19446 B13R1.1630 C#CCOc1cc(c(cc1Cl)Cl)Cl 34a_100000211312_100000184674 [0,2,0,0,0,0|1,0,1]=4 19447 B13R1.1630 C#CCOc1cc(c(cc1Cl)Cl)Cl 7a_100000211312_100000038162 [0,2,0,0,0,0|1,0,1]=4 19448 B13R1.1630 C#CCOc1cc(c(cc1Cl)Cl)N 34a_100000037174_100000184674 [0,2,0,0,0,0|1,0,1]=4 19449 B13R1.1630 C#CCOc1cc(c(cc1Cl)Cl)N 7a_100000037174_100000038162 [0,2,0,0,0,0|1,0,1]=4 19450 B13R1.1630 C#CCOc1cc(c(cc1N)Cl)C 34a_100000091707_100000184674 [0,2,0,0,0,0|1,0,1]=4 19451 B13R1.1630 C#CCOc1cc(c(cc1N)Cl)C 7a_100000091707_100000038162 [0,2,0,0,0,0|1,0,1]=4 19452 B13R1.1630 C#CCOc1cc(c(cc1N)Cl)Cl 34a_100000696747_100000184674 [0,2,0,0,0,0|1,0,1]=4 19453 B13R1.1630 C#CCOc1cc(c(cc1N)Cl)Cl 7a_100000696747_100000038162 [0,2,0,0,0,0|1,0,1]=4 19454 B13R1.1630 C=CCOc1cc(c(cc1Br)Cl)C 34a_100022700756_100015514636 [0,2,0,0,0,0|1,0,1]=4 19455 B13R1.1630 C=CCOc1cc(c(cc1Br)Cl)C 7a_100022700756_100015514636 [0,2,0,0,0,0|1,0,1]=4 19456 B13R1.1630 C=CCOc1cc(c(cc1C)Cl)N 34a_100000092876_100015514636 [0,2,0,0,0,0|1,0,1]=4 19457 B13R1.1630 C=CCOc1cc(c(cc1C)Cl)N 7a_100000092876_100015514636 [0,2,0,0,0,0|1,0,1]=4 19458 B13R1.1630 C=CCOc1cc(c(cc1Cl)Cl)Br 34a_100010203734_100015514636 [0,2,0,0,0,0|1,0,1]=4 19459 B13R1.1630 C=CCOc1cc(c(cc1Cl)Cl)Br 7a_100010203734_100015514636 [0,2,0,0,0,0|1,0,1]=4 19460 B13R1.1630 C=CCOc1cc(c(cc1Cl)Cl)C 34a_100012002691_100015514636 [0,2,0,0,0,0|1,0,1]=4 19461 B13R1.1630 C=CCOc1cc(c(cc1Cl)Cl)C 7a_100012002691_100015514636 [0,2,0,0,0,0|1,0,1]=4 19462 B13R1.1630 C=CCOc1cc(c(cc1Cl)Cl)Cl 34a_100000211312_100015514636 [0,2,0,0,0,0|1,0,1]=4 19463 B13R1.1630 C=CCOc1cc(c(cc1Cl)Cl)Cl 7a_100000211312_100015514636 [0,2,0,0,0,0|1,0,1]=4 19464 B13R1.1630 C=CCOc1cc(c(cc1Cl)Cl)N 34a_100000037174_100015514636 [0,2,0,0,0,0|1,0,1]=4 19465 B13R1.1630 C=CCOc1cc(c(cc1Cl)Cl)N 7a_100000037174_100015514636 [0,2,0,0,0,0|1,0,1]=4 19466 B13R1.1630 C=CCOc1cc(c(cc1N)Cl)C 34a_100000091707_100015514636 [0,2,0,0,0,0|1,0,1]=4 19467 B13R1.1630 C=CCOc1cc(c(cc1N)Cl)C 7a_100000091707_100015514636 [0,2,0,0,0,0|1,0,1]=4 19468 B13R1.1630 C=CCOc1cc(c(cc1N)Cl)Cl 34a_100000696747_100015514636 [0,2,0,0,0,0|1,0,1]=4 19469 B13R1.1630 C=CCOc1cc(c(cc1N)Cl)Cl 7a_100000696747_100015514636 [0,2,0,0,0,0|1,0,1]=4 19470 B13R1.1630 CCCCc1cc(c(cc1Br)Cl)F 271570a_100020621405_100010254745 [0,2,0,0,0,0|2,0,0]=4 19471 B13R1.1630 CCCCc1cc(c(cc1Br)Cl)O 271570a_100020621405_100021297947 [0,2,0,0,0,0|2,0,0]=4 19472 B13R1.1630 CCCCc1cc(c(cc1C)Cl)C 271570a_100020621405_100012357408 [0,2,0,0,0,0|2,0,0]=4 19473 B13R1.1630 CCCCc1cc(c(cc1Cl)Cl)Cl 271570a_100020621405_200011216203 [0,2,0,0,0,0|2,0,0]=4 19474 B13R1.1630 CCCCc1cc(c(cc1Cl)Cl)N 271570a_100020621405_100016224655 [0,2,0,0,0,0|2,0,0]=4 19475 B13R1.1630 CCCCc1cc(c(cc1F)Cl)F 271570a_100020621405_100010142863 [0,2,0,0,0,0|2,0,0]=4 19476 B13R1.1630 CCCCc1cc(c(cc1F)Cl)O 271570a_100020621405_100010735246 [0,2,0,0,0,0|2,0,0]=4 19477 B13R1.1630 CCCCc1cc(c(cc1N)Cl)Cl 271570a_100020621405_200011093942 [0,2,0,0,0,0|2,0,0]=4 19478 B13R1.1630 CCCCc1cc(c(cc1N)Cl)F 271570a_100020621405_200010992381 [0,2,0,0,0,0|2,0,0]=4 19479 B13R1.1630 CCCNc1cc(c(cc1Br)Cl)F 34a_100010254744_100000210303 [0,2,0,0,0,0|2,0,0]=4 19480 B13R1.1630 CCCNc1cc(c(cc1Br)Cl)F 7a_100010254744_100000210303 [0,2,0,0,0,0|2,0,0]=4 19481 B13R1.1630 CCCNc1cc(c(cc1C)Cl)Br 2230a_100010244688_100000210303 [0,2,0,0,0,0|2,0,0]=4 19482 B13R1.1630 CCCNc1cc(c(cc1C)Cl)Br 34a_100010244688_100000210303 [0,2,0,0,0,0|2,0,0]=4 19483 B13R1.1630 CCCNc1cc(c(cc1C)Cl)Br 7a_100010244688_100000210303 [0,2,0,0,0,0|2,0,0]=4 19484 B13R1.1630 CCCNc1cc(c(cc1C)Cl)C 2230a_100011830454_100000210303 [0,2,0,0,0,0|2,0,0]=4 19485 B13R1.1630 CCCNc1cc(c(cc1C)Cl)C 34a_100011830454_100000210303 [0,2,0,0,0,0|2,0,0]=4 19486 B13R1.1630 CCCNc1cc(c(cc1C)Cl)C 7a_100011830454_100000210303 [0,2,0,0,0,0|2,0,0]=4 19487 B13R1.1630 CCCNc1cc(c(cc1C)Cl)Cl 34a_100012017293_100000210303 [0,2,0,0,0,0|2,0,0]=4 19488 B13R1.1630 CCCNc1cc(c(cc1C)Cl)Cl 7a_100012017293_100000210303 [0,2,0,0,0,0|2,0,0]=4 19489 B13R1.1630 CCCNc1cc(c(cc1C)Cl)O 34a_100009961766_100000210303 [0,2,0,0,0,0|2,0,0]=4 19490 B13R1.1630 CCCNc1cc(c(cc1C)Cl)O 7a_100009961766_100000210303 [0,2,0,0,0,0|2,0,0]=4 19491 B13R1.1630 CCCNc1cc(c(cc1Cl)Cl)Br 34a_200012360370_100000210303 [0,2,0,0,0,0|2,0,0]=4 19492 B13R1.1630 CCCNc1cc(c(cc1Cl)Cl)Br 7a_200012360370_100000210303 [0,2,0,0,0,0|2,0,0]=4 19493 B13R1.1630 CCCNc1cc(c(cc1Cl)Cl)C 34a_100012000392_100000210303 [0,2,0,0,0,0|2,0,0]=4 19494 B13R1.1630 CCCNc1cc(c(cc1Cl)Cl)C 7a_100012000392_100000210303 [0,2,0,0,0,0|2,0,0]=4 19495 B13R1.1630 CCCNc1cc(c(cc1Cl)Cl)Cl 34a_100000211015_100000210303 [0,2,0,0,0,0|2,0,0]=4 19496 B13R1.1630 CCCNc1cc(c(cc1Cl)Cl)Cl 7a_100000211015_100000210303 [0,2,0,0,0,0|2,0,0]=4 19497 B13R1.1630 CCCNc1cc(c(cc1Cl)Cl)F 34a_100012017157_100000210303 [0,2,0,0,0,0|2,0,0]=4 19498 B13R1.1630 CCCNc1cc(c(cc1Cl)Cl)F 7a_100012017157_100000210303 [0,2,0,0,0,0|2,0,0]=4 19499 B13R1.1630 CCCNc1cc(c(cc1Cl)Cl)I 7a_100016224655_100000210303 [0,2,0,0,0,0|2,0,0]=4 19500 B13R1.1630 CCCNc1cc(c(cc1Cl)Cl)O 34a_100000037174_100000210303 [0,2,0,0,0,0|2,0,0]=4 19501 B13R1.1630 CCCNc1cc(c(cc1Cl)Cl)O 7a_100000037174_100000210303 [0,2,0,0,0,0|2,0,0]=4 19502 B13R1.1630 CCCNc1cc(c(cc1F)Cl)Br 34a_100013023876_100000210303 [0,2,0,0,0,0|2,0,0]=4 19503 B13R1.1630 CCCNc1cc(c(cc1F)Cl)Br 7a_100013023876_100000210303 [0,2,0,0,0,0|2,0,0]=4 19504 B13R1.1630 CCCNc1cc(c(cc1F)Cl)C 34a_100000091823_100000210303 [0,2,0,0,0,0|2,0,0]=4 19505 B13R1.1630 CCCNc1cc(c(cc1F)Cl)C 7a_100000091823_100000210303 [0,2,0,0,0,0|2,0,0]=4 19506 B13R1.1630 CCCNc1cc(c(cc1F)Cl)Cl 34a_100000724578_100000210303 [0,2,0,0,0,0|2,0,0]=4 19507 B13R1.1630 CCCNc1cc(c(cc1F)Cl)Cl 7a_100000724578_100000210303 [0,2,0,0,0,0|2,0,0]=4 19508 B13R1.1630 CCCNc1cc(c(cc1F)Cl)F 34a_100011998097_100000210303 [0,2,0,0,0,0|2,0,0]=4 19509 B13R1.1630 CCCNc1cc(c(cc1F)Cl)F 7a_100011998097_100000210303 [0,2,0,0,0,0|2,0,0]=4 19510 B13R1.1630 CCCNc1cc(c(cc1F)Cl)O 34a_100000042052_100000210303 [0,2,0,0,0,0|2,0,0]=4 19511 B13R1.1630 CCCNc1cc(c(cc1F)Cl)O 7a_100000042052_100000210303 [0,2,0,0,0,0|2,0,0]=4 19512 B13R1.1630 CCCNc1cc(c(cc1I)Cl)Cl 7a_200011093942_100000210303 [0,2,0,0,0,0|2,0,0]=4 19513 B13R1.1630 CCCNc1cc(c(cc1I)Cl)F 34a_100010892166_100000210303 [0,2,0,0,0,0|2,0,0]=4 19514 B13R1.1630 CCCNc1cc(c(cc1I)Cl)F 7a_100010892166_100000210303 [0,2,0,0,0,0|2,0,0]=4 19515 B13R1.1630 CCCNc1cc(c(cc1O)Cl)Br 34a_100013488937_100000210303 [0,2,0,0,0,0|2,0,0]=4 19516 B13R1.1630 CCCNc1cc(c(cc1O)Cl)Br 7a_100013488937_100000210303 [0,2,0,0,0,0|2,0,0]=4 19517 B13R1.1630 CCCNc1cc(c(cc1O)Cl)Cl 34a_100000696747_100000210303 [0,2,0,0,0,0|2,0,0]=4 19518 B13R1.1630 CCCNc1cc(c(cc1O)Cl)Cl 7a_100000696747_100000210303 [0,2,0,0,0,0|2,0,0]=4 19519 B13R1.1630 CCCOc1cc(c(cc1Br)C)C 34a_100009814663_100000210303 [0,2,0,0,0,0|2,0,0]=4 19520 B13R1.1630 CCCOc1cc(c(cc1Br)C)C 7a_100009814663_100000210303 [0,2,0,0,0,0|2,0,0]=4 19521 B13R1.1630 CCCOc1cc(c(cc1Br)Cl)C 34a_100022700756_100000210303 [0,2,0,0,0,0|1,0,0]=3 19522 B13R1.1630 CCCOc1cc(c(cc1Br)Cl)C 7a_100022700756_100000210303 [0,2,0,0,0,0|1,0,0]=3 19523 B13R1.1630 CCCOc1cc(c(cc1Br)F)F 34a_100009813768_100000210303 [0,2,0,0,0,0|1,1,0]=4 19524 B13R1.1630 CCCOc1cc(c(cc1Br)F)F 7a_100009813768_100000210303 [0,2,0,0,0,0|1,1,0]=4 19525 B13R1.1630 CCCOc1cc(c(cc1Br)N)Br 34a_100011080774_100000210303 [0,2,0,0,0,0|2,0,0]=4 19526 B13R1.1630 CCCOc1cc(c(cc1Br)N)Br 7a_100011080774_100000210303 [0,2,0,0,0,0|2,0,0]=4 19527 B13R1.1630 CCCOc1cc(c(cc1C)Br)C 34a_100000698207_100000210303 [0,2,0,0,0,0|1,1,0]=4 19528 B13R1.1630 CCCOc1cc(c(cc1C)Br)C 7a_100000698207_100000210303 [0,2,0,0,0,0|1,1,0]=4 19529 B13R1.1630 CCCOc1cc(c(cc1C)C)C 34a_200000047129_100000210303 [0,2,0,0,0,0|2,0,0]=4 19530 B13R1.1630 CCCOc1cc(c(cc1C)C)C 7a_200000047129_100000210303 [0,2,0,0,0,0|2,0,0]=4 19531 B13R1.1630 CCCOc1cc(c(cc1C)Cl)N 34a_100000092876_100000210303 [0,2,0,0,0,0|1,0,0]=3 19532 B13R1.1630 CCCOc1cc(c(cc1C)Cl)N 7a_100000092876_100000210303 [0,2,0,0,0,0|1,0,0]=3 19533 B13R1.1630 CCCOc1cc(c(cc1C)F)Br 34a_100014242602_100000210303 [0,2,0,0,0,0|1,1,0]=4 19534 B13R1.1630 CCCOc1cc(c(cc1C)F)Br 7a_100014242602_100000210303 [0,2,0,0,0,0|1,1,0]=4 19535 B13R1.1630 CCCOc1cc(c(cc1C)F)C 34a_100010674473_100000210303 [0,2,0,0,0,0|1,1,0]=4 19536 B13R1.1630 CCCOc1cc(c(cc1C)F)C 7a_100010674473_100000210303 [0,2,0,0,0,0|1,1,0]=4 19537 B13R1.1630 CCCOc1cc(c(cc1C)F)F 34a_100000728840_100000210303 [0,2,0,0,0,0|1,1,0]=4 19538 B13R1.1630 CCCOc1cc(c(cc1C)F)F 7a_100000728840_100000210303 [0,2,0,0,0,0|1,1,0]=4 19539 B13R1.1630 CCCOc1cc(c(cc1C)F)I 34a_100010080512_100000210303 [0,2,0,0,0,0|1,1,0]=4 19540 B13R1.1630 CCCOc1cc(c(cc1C)F)I 7a_100010080512_100000210303 [0,2,0,0,0,0|1,1,0]=4 19541 B13R1.1630 CCCOc1cc(c(cc1C)F)N 34a_100000117193_100000210303 [0,2,0,0,0,0|1,1,0]=4 19542 B13R1.1630 CCCOc1cc(c(cc1C)F)N 7a_100000117193_100000210303 [0,2,0,0,0,0|1,1,0]=4 19543 B13R1.1630 CCCOc1cc(c(cc1C)I)C 34a_200011215153_100000210303 [0,2,0,0,0,0|1,1,0]=4 19544 B13R1.1630 CCCOc1cc(c(cc1C)I)C 7a_200011215153_100000210303 [0,2,0,0,0,0|1,1,0]=4 19545 B13R1.1630 CCCOc1cc(c(cc1C)N)C 34a_100000720036_100000210303 [0,2,0,0,0,0|2,0,0]=4 19546 B13R1.1630 CCCOc1cc(c(cc1C)N)C 7a_100000720036_100000210303 [0,2,0,0,0,0|2,0,0]=4 19547 B13R1.1630 CCCOc1cc(c(cc1Cl)Br)C 34a_200012350488_100000210303 [0,2,0,0,0,0|1,1,0]=4 19548 B13R1.1630 CCCOc1cc(c(cc1Cl)Br)C 7a_200012350488_100000210303 [0,2,0,0,0,0|1,1,0]=4 19549 B13R1.1630 CCCOc1cc(c(cc1Cl)Br)Cl 34a_100000719705_100000210303 [0,2,0,0,0,0|1,1,0]=4 19550 B13R1.1630 CCCOc1cc(c(cc1Cl)Br)Cl 7a_100000719705_100000210303 [0,2,0,0,0,0|1,1,0]=4 19551 B13R1.1630 CCCOc1cc(c(cc1Cl)Br)F 34a_100000726166_100000210303 [0,2,0,0,0,0|1,1,0]=4 19552 B13R1.1630 CCCOc1cc(c(cc1Cl)Br)F 7a_100000726166_100000210303 [0,2,0,0,0,0|1,1,0]=4 19553 B13R1.1630 CCCOc1cc(c(cc1Cl)Br)I 34a_100021297947_100000210303 [0,2,0,0,0,0|1,1,0]=4 19554 B13R1.1630 CCCOc1cc(c(cc1Cl)Br)I 7a_100021297947_100000210303 [0,2,0,0,0,0|1,1,0]=4 19555 B13R1.1630 CCCOc1cc(c(cc1Cl)C)C 34a_100000031796_100000210303 [0,2,0,0,0,0|2,0,0]=4 19556 B13R1.1630 CCCOc1cc(c(cc1Cl)C)C 7a_100000031796_100000210303 [0,2,0,0,0,0|2,0,0]=4 19557 B13R1.1630 CCCOc1cc(c(cc1Cl)C)N 34a_100009961766_100000210303 [0,2,0,0,0,0|2,0,0]=4 19558 B13R1.1630 CCCOc1cc(c(cc1Cl)C)N 7a_100009961766_100000210303 [0,2,0,0,0,0|2,0,0]=4 19559 B13R1.1630 CCCOc1cc(c(cc1Cl)Cl)Br 34a_100010203734_100000210303 [0,2,0,0,0,0|1,0,0]=3 19560 B13R1.1630 CCCOc1cc(c(cc1Cl)Cl)Br 7a_100010203734_100000210303 [0,2,0,0,0,0|1,0,0]=3 19561 B13R1.1630 CCCOc1cc(c(cc1Cl)Cl)C 34a_100012002691_100000210303 [0,2,0,0,0,0|1,0,0]=3 19562 B13R1.1630 CCCOc1cc(c(cc1Cl)Cl)C 7a_100012002691_100000210303 [0,2,0,0,0,0|1,0,0]=3 19563 B13R1.1630 CCCOc1cc(c(cc1Cl)Cl)Cl 34a_100000211312_100000210303 [0,2,0,0,0,0|1,0,0]=3 19564 B13R1.1630 CCCOc1cc(c(cc1Cl)Cl)Cl 7a_100000211312_100000210303 [0,2,0,0,0,0|1,0,0]=3 19565 B13R1.1630 CCCOc1cc(c(cc1Cl)Cl)N 34a_100000037174_100000210303 [0,2,0,0,0,0|1,0,0]=3 19566 B13R1.1630 CCCOc1cc(c(cc1Cl)Cl)N 7a_100000037174_100000210303 [0,2,0,0,0,0|1,0,0]=3 19567 B13R1.1630 CCCOc1cc(c(cc1Cl)F)Br 34a_100010189047_100000210303 [0,2,0,0,0,0|1,1,0]=4 19568 B13R1.1630 CCCOc1cc(c(cc1Cl)F)Br 7a_100010189047_100000210303 [0,2,0,0,0,0|1,1,0]=4 19569 B13R1.1630 CCCOc1cc(c(cc1Cl)F)F 34a_100009848785_100000210303 [0,2,0,0,0,0|1,1,0]=4 19570 B13R1.1630 CCCOc1cc(c(cc1Cl)F)F 7a_100009848785_100000210303 [0,2,0,0,0,0|1,1,0]=4 19571 B13R1.1630 CCCOc1cc(c(cc1Cl)F)I 34a_100010735246_100000210303 [0,2,0,0,0,0|1,1,0]=4 19572 B13R1.1630 CCCOc1cc(c(cc1Cl)F)I 7a_100010735246_100000210303 [0,2,0,0,0,0|1,1,0]=4 19573 B13R1.1630 CCCOc1cc(c(cc1Cl)F)N 34a_100000042052_100000210303 [0,2,0,0,0,0|1,1,0]=4 19574 B13R1.1630 CCCOc1cc(c(cc1Cl)F)N 7a_100000042052_100000210303 [0,2,0,0,0,0|1,1,0]=4 19575 B13R1.1630 CCCOc1cc(c(cc1Cl)N)Cl 34a_100012000071_100000210303 [0,2,0,0,0,0|2,0,0]=4 19576 B13R1.1630 CCCOc1cc(c(cc1Cl)N)Cl 7a_100012000071_100000210303 [0,2,0,0,0,0|2,0,0]=4 19577 B13R1.1630 CCCOc1cc(c(cc1F)Br)C 34a_100012355673_100000210303 [0,2,0,0,0,0|1,1,0]=4 19578 B13R1.1630 CCCOc1cc(c(cc1F)Br)C 7a_100012355673_100000210303 [0,2,0,0,0,0|1,1,0]=4 19579 B13R1.1630 CCCOc1cc(c(cc1F)Br)F 34a_100011830439_100000210303 [0,2,0,0,0,0|1,1,0]=4 19580 B13R1.1630 CCCOc1cc(c(cc1F)Br)F 7a_100011830439_100000210303 [0,2,0,0,0,0|1,1,0]=4 19581 B13R1.1630 CCCOc1cc(c(cc1F)C)Br 34a_100010068922_100000210303 [0,2,0,0,0,0|2,0,0]=4 19582 B13R1.1630 CCCOc1cc(c(cc1F)C)Br 7a_100010068922_100000210303 [0,2,0,0,0,0|2,0,0]=4 19583 B13R1.1630 CCCOc1cc(c(cc1F)F)Br 34a_100012457948_100000210303 [0,2,0,0,0,0|1,1,0]=4 19584 B13R1.1630 CCCOc1cc(c(cc1F)F)Br 7a_100012457948_100000210303 [0,2,0,0,0,0|1,1,0]=4 19585 B13R1.1630 CCCOc1cc(c(cc1F)F)F 34a_100000237555_100000210303 [0,2,0,0,0,0|1,1,0]=4 19586 B13R1.1630 CCCOc1cc(c(cc1F)F)F 7a_100000237555_100000210303 [0,2,0,0,0,0|1,1,0]=4 19587 B13R1.1630 CCCOc1cc(c(cc1F)F)I 34a_100015789030_100000210303 [0,2,0,0,0,0|1,1,0]=4 19588 B13R1.1630 CCCOc1cc(c(cc1F)F)I 7a_100015789030_100000210303 [0,2,0,0,0,0|1,1,0]=4 19589 B13R1.1630 CCCOc1cc(c(cc1F)F)N 34a_100011219470_100000210303 [0,2,0,0,0,0|1,1,0]=4 19590 B13R1.1630 CCCOc1cc(c(cc1F)F)N 7a_100011219470_100000210303 [0,2,0,0,0,0|1,1,0]=4 19591 B13R1.1630 CCCOc1cc(c(cc1F)N)Cl 34a_100009886023_100000210303 [0,2,0,0,0,0|2,0,0]=4 19592 B13R1.1630 CCCOc1cc(c(cc1F)N)Cl 7a_100009886023_100000210303 [0,2,0,0,0,0|2,0,0]=4 19593 B13R1.1630 CCCOc1cc(c(cc1F)N)F 34a_100020635945_100000210303 [0,2,0,0,0,0|2,0,0]=4 19594 B13R1.1630 CCCOc1cc(c(cc1F)N)F 7a_100020635945_100000210303 [0,2,0,0,0,0|2,0,0]=4 19595 B13R1.1630 CCCOc1cc(c(cc1I)F)F 34a_100010749349_100000210303 [0,2,0,0,0,0|1,1,0]=4 19596 B13R1.1630 CCCOc1cc(c(cc1I)F)F 7a_100010749349_100000210303 [0,2,0,0,0,0|1,1,0]=4 19597 B13R1.1630 CCCOc1cc(c(cc1N)Br)Br 34a_200010781931_100000210303 [0,2,0,0,0,0|1,1,0]=4 19598 B13R1.1630 CCCOc1cc(c(cc1N)Br)Br 7a_200010781931_100000210303 [0,2,0,0,0,0|1,1,0]=4 19599 B13R1.1630 CCCOc1cc(c(cc1N)Br)C 34a_200010235796_100000210303 [0,2,0,0,0,0|1,1,0]=4 19600 B13R1.1630 CCCOc1cc(c(cc1N)Br)C 7a_200010235796_100000210303 [0,2,0,0,0,0|1,1,0]=4 19601 B13R1.1630 CCCOc1cc(c(cc1N)Br)Cl 34a_100013488937_100000210303 [0,2,0,0,0,0|1,1,0]=4 19602 B13R1.1630 CCCOc1cc(c(cc1N)Br)Cl 7a_100013488937_100000210303 [0,2,0,0,0,0|1,1,0]=4 19603 B13R1.1630 CCCOc1cc(c(cc1N)Br)F 34a_100012359894_100000210303 [0,2,0,0,0,0|1,1,0]=4 19604 B13R1.1630 CCCOc1cc(c(cc1N)Br)F 7a_100012359894_100000210303 [0,2,0,0,0,0|1,1,0]=4 19605 B13R1.1630 CCCOc1cc(c(cc1N)C)Br 34a_200010107346_100000210303 [0,2,0,0,0,0|2,0,0]=4 19606 B13R1.1630 CCCOc1cc(c(cc1N)C)Br 7a_200010107346_100000210303 [0,2,0,0,0,0|2,0,0]=4 19607 B13R1.1630 CCCOc1cc(c(cc1N)C)C 34a_100133014134_100000210303 [0,2,0,0,0,0|2,0,0]=4 19608 B13R1.1630 CCCOc1cc(c(cc1N)C)C 7a_100133014134_100000210303 [0,2,0,0,0,0|2,0,0]=4 19609 B13R1.1630 CCCOc1cc(c(cc1N)C)F 34a_100012022779_100000210303 [0,2,0,0,0,0|2,0,0]=4 19610 B13R1.1630 CCCOc1cc(c(cc1N)C)F 7a_100012022779_100000210303 [0,2,0,0,0,0|2,0,0]=4 19611 B13R1.1630 CCCOc1cc(c(cc1N)Cl)C 34a_100000091707_100000210303 [0,2,0,0,0,0|1,0,0]=3 19612 B13R1.1630 CCCOc1cc(c(cc1N)Cl)C 7a_100000091707_100000210303 [0,2,0,0,0,0|1,0,0]=3 19613 B13R1.1630 CCCOc1cc(c(cc1N)Cl)Cl 34a_100000696747_100000210303 [0,2,0,0,0,0|1,0,0]=3 19614 B13R1.1630 CCCOc1cc(c(cc1N)Cl)Cl 7a_100000696747_100000210303 [0,2,0,0,0,0|1,0,0]=3 19615 B13R1.1630 CCCOc1cc(c(cc1N)F)Br 34a_100013038943_100000210303 [0,2,0,0,0,0|1,1,0]=4 19616 B13R1.1630 CCCOc1cc(c(cc1N)F)Br 7a_100013038943_100000210303 [0,2,0,0,0,0|1,1,0]=4 19617 B13R1.1630 CCCOc1cc(c(cc1N)F)F 34a_100011217416_100000210303 [0,2,0,0,0,0|1,1,0]=4 19618 B13R1.1630 CCCOc1cc(c(cc1N)F)F 7a_100011217416_100000210303 [0,2,0,0,0,0|1,1,0]=4 19619 B13R1.1630 CCCOc1cc(c(cc1N)I)Cl 34a_100011011175_100000210303 [0,2,0,0,0,0|1,1,0]=4 19620 B13R1.1630 CCCOc1cc(c(cc1N)I)Cl 7a_100011011175_100000210303 [0,2,0,0,0,0|1,1,0]=4 19621 B13R1.1630 CCCOc1cc(c(cc1O)F)N 271570a_203496583355_100021428089 [0,2,0,0,0,0|1,1,0]=4 19622 B13R1.1630 CCCOc1cc(c(nc1N)Cl)Br 34a_100010136811_100000210303 [0,2,0,0,0,0|2,0,0]=4 19623 B13R1.1630 CCCOc1cc(c(nc1N)Cl)Br 7a_100010136811_100000210303 [0,2,0,0,0,0|2,0,0]=4 19624 B13R1.1630 CCCOc1nc(c(cc1Br)Cl)C 34a_200010749519_100000210303 [0,2,0,0,0,0|2,0,0]=4 19625 B13R1.1630 CCCOc1nc(c(cc1Cl)Cl)Cl 34a_100011933978_100000210303 [0,2,0,0,0,0|2,0,0]=4 19626 B13R1.1630 CCCSc1cc(c(cc1Br)Cl)F 62a_100000210303_100010254745 [0,2,0,0,0,0|1,1,0]=4 19627 B13R1.1630 CCCSc1cc(c(cc1Br)Cl)F 62a_100010254745_100000210303 [0,2,0,0,0,0|1,1,0]=4 19628 B13R1.1630 CCCSc1cc(c(cc1Br)Cl)O 62a_100000210303_100021297947 [0,2,0,0,0,0|1,1,0]=4 19629 B13R1.1630 CCCSc1cc(c(cc1Br)Cl)O 62a_100021297947_100000210303 [0,2,0,0,0,0|1,1,0]=4 19630 B13R1.1630 CCCSc1cc(c(cc1C)Cl)C 62a_100000210303_100012357408 [0,2,0,0,0,0|1,1,0]=4 19631 B13R1.1630 CCCSc1cc(c(cc1C)Cl)C 62a_100012357408_100000210303 [0,2,0,0,0,0|1,1,0]=4 19632 B13R1.1630 CCCSc1cc(c(cc1Cl)Cl)N 62a_100000210303_100016224655 [0,2,0,0,0,0|1,1,0]=4 19633 B13R1.1630 CCCSc1cc(c(cc1Cl)Cl)N 62a_100016224655_100000210303 [0,2,0,0,0,0|1,1,0]=4 19634 B13R1.1630 CCCSc1cc(c(cc1F)Cl)F 62a_100000210303_100010142863 [0,2,0,0,0,0|1,1,0]=4 19635 B13R1.1630 CCCSc1cc(c(cc1F)Cl)F 62a_100010142863_100000210303 [0,2,0,0,0,0|1,1,0]=4 19636 B13R1.1630 CCCSc1cc(c(cc1F)Cl)O 62a_100000210303_100010735246 [0,2,0,0,0,0|1,1,0]=4 19637 B13R1.1630 CCCSc1cc(c(cc1F)Cl)O 62a_100010735246_100000210303 [0,2,0,0,0,0|1,1,0]=4 19638 B13R1.1630 CCCSc1cc(c(cc1N)Cl)Cl 62a_100000210303_200011093942 [0,2,0,0,0,0|1,1,0]=4 19639 B13R1.1630 CCCSc1cc(c(cc1N)Cl)Cl 62a_200011093942_100000210303 [0,2,0,0,0,0|1,1,0]=4 19640 B13R1.1630 CCCSc1cc(c(cc1N)Cl)F 62a_100000210303_200010992381 [0,2,0,0,0,0|1,1,0]=4 19641 B13R1.1630 CCCSc1cc(c(cc1N)Cl)F 62a_200010992381_100000210303 [0,2,0,0,0,0|1,1,0]=4 19642 B13R1.1630 CSCOc1cc(c(cc1Br)Cl)C 34a_100022700756_100011218213 [0,2,0,0,0,0|2,0,0]=4 19643 B13R1.1630 CSCOc1cc(c(cc1C)Cl)N 34a_100000092876_100011218213 [0,2,0,0,0,0|2,0,0]=4 19644 B13R1.1630 CSCOc1cc(c(cc1Cl)Cl)Br 34a_100010203734_100011218213 [0,2,0,0,0,0|2,0,0]=4 19645 B13R1.1630 CSCOc1cc(c(cc1Cl)Cl)C 34a_100012002691_100011218213 [0,2,0,0,0,0|2,0,0]=4 19646 B13R1.1630 CSCOc1cc(c(cc1Cl)Cl)Cl 34a_100000211312_100011218213 [0,2,0,0,0,0|2,0,0]=4 19647 B13R1.1630 CSCOc1cc(c(cc1Cl)Cl)N 34a_100000037174_100011218213 [0,2,0,0,0,0|2,0,0]=4 19648 B13R1.1630 CSCOc1cc(c(cc1N)Cl)C 34a_100000091707_100011218213 [0,2,0,0,0,0|2,0,0]=4 19649 B13R1.1630 CSCOc1cc(c(cc1N)Cl)Cl 34a_100000696747_100011218213 [0,2,0,0,0,0|2,0,0]=4 19650 B13R1.1630 Cc1cc(c(cc1Br)Br)NCCO 34a_100009995518_100000211926 [0,2,0,0,0,0|1,1,0]=4 19651 B13R1.1630 Cc1cc(c(cc1Br)Br)NCCO 7a_100009995518_100000211926 [0,2,0,0,0,0|1,1,0]=4 19652 B13R1.1630 Cc1cc(c(cc1Br)C)NCCO 2230a_100011934712_100000211926 [0,2,0,0,0,0|1,1,0]=4 19653 B13R1.1630 Cc1cc(c(cc1Br)C)NCCO 34a_100011934712_100000211926 [0,2,0,0,0,0|1,1,0]=4 19654 B13R1.1630 Cc1cc(c(cc1Br)C)NCCO 7a_100011934712_100000211926 [0,2,0,0,0,0|1,1,0]=4 19655 B13R1.1630 Cc1cc(c(cc1Br)C)OCCF 34a_100000698207_100011217306 [0,2,0,0,0,0|1,1,0]=4 19656 B13R1.1630 Cc1cc(c(cc1Br)C)OCCF 7a_100000698207_100011217306 [0,2,0,0,0,0|1,1,0]=4 19657 B13R1.1630 Cc1cc(c(cc1Br)C)OCCO 34a_100000698207_100000211926 [0,2,0,0,0,0|0,1,0]=3 19658 B13R1.1630 Cc1cc(c(cc1Br)C)OCCO 7a_100000698207_100000211926 [0,2,0,0,0,0|0,1,0]=3 19659 B13R1.1630 Cc1cc(c(cc1Br)C)SCCO 62a_100000211926_100011356911 [0,2,0,0,0,0|0,2,0]=4 19660 B13R1.1630 Cc1cc(c(cc1Br)C)SCCO 62a_100011356911_100000211926 [0,2,0,0,0,0|0,2,0]=4 19661 B13R1.1630 Cc1cc(c(cc1Br)Cl)OCCF 34a_200012350488_100011217306 [0,2,0,0,0,0|1,1,0]=4 19662 B13R1.1630 Cc1cc(c(cc1Br)Cl)OCCF 7a_200012350488_100011217306 [0,2,0,0,0,0|1,1,0]=4 19663 B13R1.1630 Cc1cc(c(cc1Br)Cl)OCCO 34a_200012350488_100000211926 [0,2,0,0,0,0|0,1,0]=3 19664 B13R1.1630 Cc1cc(c(cc1Br)Cl)OCCO 7a_200012350488_100000211926 [0,2,0,0,0,0|0,1,0]=3 19665 B13R1.1630 Cc1cc(c(cc1Br)Cl)SCCO 62a_100000211926_100010259621 [0,2,0,0,0,0|0,2,0]=4 19666 B13R1.1630 Cc1cc(c(cc1Br)Cl)SCCO 62a_100010259621_100000211926 [0,2,0,0,0,0|0,2,0]=4 19667 B13R1.1630 Cc1cc(c(cc1Br)F)NCCO 2230a_100000691575_100000211926 [0,2,0,0,0,0|1,1,0]=4 19668 B13R1.1630 Cc1cc(c(cc1Br)F)NCCO 34a_100000691575_100000211926 [0,2,0,0,0,0|1,1,0]=4 19669 B13R1.1630 Cc1cc(c(cc1Br)F)NCCO 7a_100000691575_100000211926 [0,2,0,0,0,0|1,1,0]=4 19670 B13R1.1630 Cc1cc(c(cc1Br)F)OCCF 34a_100012355673_100011217306 [0,2,0,0,0,0|1,1,0]=4 19671 B13R1.1630 Cc1cc(c(cc1Br)F)OCCF 7a_100012355673_100011217306 [0,2,0,0,0,0|1,1,0]=4 19672 B13R1.1630 Cc1cc(c(cc1Br)F)OCCO 34a_100012355673_100000211926 [0,2,0,0,0,0|0,1,0]=3 19673 B13R1.1630 Cc1cc(c(cc1Br)F)OCCO 7a_100012355673_100000211926 [0,2,0,0,0,0|0,1,0]=3 19674 B13R1.1630 Cc1cc(c(cc1Br)F)SCCO 62a_100000211926_200009814772 [0,2,0,0,0,0|0,2,0]=4 19675 B13R1.1630 Cc1cc(c(cc1Br)F)SCCO 62a_200009814772_100000211926 [0,2,0,0,0,0|0,2,0]=4 19676 B13R1.1630 Cc1cc(c(cc1Br)N)OCCF 34a_200010235796_100011217306 [0,2,0,0,0,0|1,1,0]=4 19677 B13R1.1630 Cc1cc(c(cc1Br)N)OCCF 7a_200010235796_100011217306 [0,2,0,0,0,0|1,1,0]=4 19678 B13R1.1630 Cc1cc(c(cc1Br)N)OCCO 34a_200010235796_100000211926 [0,2,0,0,0,0|0,1,0]=3 19679 B13R1.1630 Cc1cc(c(cc1Br)N)OCCO 7a_200010235796_100000211926 [0,2,0,0,0,0|0,1,0]=3 19680 B13R1.1630 Cc1cc(c(cc1Br)N)SCCO 62a_100000211926_200015600912 [0,2,0,0,0,0|0,2,0]=4 19681 B13R1.1630 Cc1cc(c(cc1Br)N)SCCO 62a_200015600912_100000211926 [0,2,0,0,0,0|0,2,0]=4 19682 B13R1.1630 Cc1cc(c(cc1Br)NCCO)Br 34a_100012348304_100000211926 [0,2,0,0,0,0|2,0,0]=4 19683 B13R1.1630 Cc1cc(c(cc1Br)NCCO)Br 7a_100012348304_100000211926 [0,2,0,0,0,0|2,0,0]=4 19684 B13R1.1630 Cc1cc(c(cc1Br)NCCO)C 2230a_100000703630_100000211926 [0,2,0,0,0,0|2,0,0]=4 19685 B13R1.1630 Cc1cc(c(cc1Br)NCCO)C 34a_100000703630_100000211926 [0,2,0,0,0,0|2,0,0]=4 19686 B13R1.1630 Cc1cc(c(cc1Br)NCCO)C 7a_100000703630_100000211926 [0,2,0,0,0,0|2,0,0]=4 19687 B13R1.1630 Cc1cc(c(cc1Br)NCCO)F 2230a_100010239588_100000211926 [0,2,0,0,0,0|2,0,0]=4 19688 B13R1.1630 Cc1cc(c(cc1Br)NCCO)F 34a_100010239588_100000211926 [0,2,0,0,0,0|2,0,0]=4 19689 B13R1.1630 Cc1cc(c(cc1Br)NCCO)F 7a_100010239588_100000211926 [0,2,0,0,0,0|2,0,0]=4 19690 B13R1.1630 Cc1cc(c(cc1Br)NCCO)I 34a_200015600912_100000211926 [0,2,0,0,0,0|2,0,0]=4 19691 B13R1.1630 Cc1cc(c(cc1Br)NCCO)I 7a_200015600912_100000211926 [0,2,0,0,0,0|2,0,0]=4 19692 B13R1.1630 Cc1cc(c(cc1Br)NCCO)O 34a_200010235796_100000211926 [0,2,0,0,0,0|2,0,0]=4 19693 B13R1.1630 Cc1cc(c(cc1Br)NCCO)O 7a_200010235796_100000211926 [0,2,0,0,0,0|2,0,0]=4 19694 B13R1.1630 Cc1cc(c(cc1Br)O)NCCO 34a_200010107346_100000211926 [0,2,0,0,0,0|1,1,0]=4 19695 B13R1.1630 Cc1cc(c(cc1Br)OCCF)F 34a_100010068922_100011217306 [0,2,0,0,0,0|2,0,0]=4 19696 B13R1.1630 Cc1cc(c(cc1Br)OCCF)F 7a_100010068922_100011217306 [0,2,0,0,0,0|2,0,0]=4 19697 B13R1.1630 Cc1cc(c(cc1Br)OCCF)N 34a_200010107346_100011217306 [0,2,0,0,0,0|2,0,0]=4 19698 B13R1.1630 Cc1cc(c(cc1Br)OCCF)N 7a_200010107346_100011217306 [0,2,0,0,0,0|2,0,0]=4 19699 B13R1.1630 Cc1cc(c(cc1Br)OCCO)F 34a_100010068922_100000211926 [0,2,0,0,0,0|1,0,0]=3 19700 B13R1.1630 Cc1cc(c(cc1Br)OCCO)F 7a_100010068922_100000211926 [0,2,0,0,0,0|1,0,0]=3 19701 B13R1.1630 Cc1cc(c(cc1Br)OCCO)N 34a_200010107346_100000211926 [0,2,0,0,0,0|1,0,0]=3 19702 B13R1.1630 Cc1cc(c(cc1Br)OCCO)N 7a_200010107346_100000211926 [0,2,0,0,0,0|1,0,0]=3 19703 B13R1.1630 Cc1cc(c(cc1Br)SCCO)Br 62a_100000211926_100012929169 [0,2,0,0,0,0|1,1,0]=4 19704 B13R1.1630 Cc1cc(c(cc1Br)SCCO)Br 62a_100012929169_100000211926 [0,2,0,0,0,0|1,1,0]=4 19705 B13R1.1630 Cc1cc(c(cc1Br)SCCO)F 62a_100000211926_100011068846 [0,2,0,0,0,0|1,1,0]=4 19706 B13R1.1630 Cc1cc(c(cc1Br)SCCO)F 62a_100011068846_100000211926 [0,2,0,0,0,0|1,1,0]=4 19707 B13R1.1630 Cc1cc(c(cc1C)NCCO)Br 34a_100012337760_100000211926 [0,2,0,0,0,0|2,0,0]=4 19708 B13R1.1630 Cc1cc(c(cc1C)NCCO)Br 7a_100012337760_100000211926 [0,2,0,0,0,0|2,0,0]=4 19709 B13R1.1630 Cc1cc(c(cc1C)NCCO)C 2230a_100011217141_100000211926 [0,2,0,0,0,0|2,0,0]=4 19710 B13R1.1630 Cc1cc(c(cc1C)NCCO)C 34a_100011217141_100000211926 [0,2,0,0,0,0|2,0,0]=4 19711 B13R1.1630 Cc1cc(c(cc1C)NCCO)C 7a_100011217141_100000211926 [0,2,0,0,0,0|2,0,0]=4 19712 B13R1.1630 Cc1cc(c(cc1C)NCCO)Cl 34a_100012183282_100000211926 [0,2,0,0,0,0|2,0,0]=4 19713 B13R1.1630 Cc1cc(c(cc1C)NCCO)Cl 7a_100012183282_100000211926 [0,2,0,0,0,0|2,0,0]=4 19714 B13R1.1630 Cc1cc(c(cc1C)NCCO)I 34a_100012353678_100000211926 [0,2,0,0,0,0|2,0,0]=4 19715 B13R1.1630 Cc1cc(c(cc1C)NCCO)I 7a_100012353678_100000211926 [0,2,0,0,0,0|2,0,0]=4 19716 B13R1.1630 Cc1cc(c(cc1C)NCCO)O 34a_100133014134_100000211926 [0,2,0,0,0,0|2,0,0]=4 19717 B13R1.1630 Cc1cc(c(cc1C)NCCO)O 7a_100133014134_100000211926 [0,2,0,0,0,0|2,0,0]=4 19718 B13R1.1630 Cc1cc(c(cc1C)OCCF)Br 34a_100009814663_100011217306 [0,2,0,0,0,0|2,0,0]=4 19719 B13R1.1630 Cc1cc(c(cc1C)OCCF)Br 7a_100009814663_100011217306 [0,2,0,0,0,0|2,0,0]=4 19720 B13R1.1630 Cc1cc(c(cc1C)OCCF)C 34a_200000047129_100011217306 [0,2,0,0,0,0|2,0,0]=4 19721 B13R1.1630 Cc1cc(c(cc1C)OCCF)C 7a_200000047129_100011217306 [0,2,0,0,0,0|2,0,0]=4 19722 B13R1.1630 Cc1cc(c(cc1C)OCCF)Cl 34a_100000031796_100011217306 [0,2,0,0,0,0|2,0,0]=4 19723 B13R1.1630 Cc1cc(c(cc1C)OCCF)Cl 7a_100000031796_100011217306 [0,2,0,0,0,0|2,0,0]=4 19724 B13R1.1630 Cc1cc(c(cc1C)OCCF)N 34a_100133014134_100011217306 [0,2,0,0,0,0|2,0,0]=4 19725 B13R1.1630 Cc1cc(c(cc1C)OCCF)N 7a_100133014134_100011217306 [0,2,0,0,0,0|2,0,0]=4 19726 B13R1.1630 Cc1cc(c(cc1C)OCCO)Br 34a_100009814663_100000211926 [0,2,0,0,0,0|1,0,0]=3 19727 B13R1.1630 Cc1cc(c(cc1C)OCCO)Br 7a_100009814663_100000211926 [0,2,0,0,0,0|1,0,0]=3 19728 B13R1.1630 Cc1cc(c(cc1C)OCCO)C 34a_200000047129_100000211926 [0,2,0,0,0,0|1,0,0]=3 19729 B13R1.1630 Cc1cc(c(cc1C)OCCO)C 7a_200000047129_100000211926 [0,2,0,0,0,0|1,0,0]=3 19730 B13R1.1630 Cc1cc(c(cc1C)OCCO)Cl 34a_100000031796_100000211926 [0,2,0,0,0,0|1,0,0]=3 19731 B13R1.1630 Cc1cc(c(cc1C)OCCO)Cl 7a_100000031796_100000211926 [0,2,0,0,0,0|1,0,0]=3 19732 B13R1.1630 Cc1cc(c(cc1C)OCCO)N 34a_100133014134_100000211926 [0,2,0,0,0,0|1,0,0]=3 19733 B13R1.1630 Cc1cc(c(cc1C)OCCO)N 7a_100133014134_100000211926 [0,2,0,0,0,0|1,0,0]=3 19734 B13R1.1630 Cc1cc(c(cc1C)SCCO)C 62a_100000211926_100000759388 [0,2,0,0,0,0|1,1,0]=4 19735 B13R1.1630 Cc1cc(c(cc1C)SCCO)C 62a_100000759388_100000211926 [0,2,0,0,0,0|1,1,0]=4 19736 B13R1.1630 Cc1cc(c(cc1C)SCCO)F 62a_100000211926_100010197417 [0,2,0,0,0,0|1,1,0]=4 19737 B13R1.1630 Cc1cc(c(cc1C)SCCO)F 62a_100010197417_100000211926 [0,2,0,0,0,0|1,1,0]=4 19738 B13R1.1630 Cc1cc(c(cc1C)SCCO)N 62a_100000211926_100012337760 [0,2,0,0,0,0|1,1,0]=4 19739 B13R1.1630 Cc1cc(c(cc1C)SCCO)N 62a_100012337760_100000211926 [0,2,0,0,0,0|1,1,0]=4 19740 B13R1.1630 Cc1cc(c(cc1C)SCCO)O 62a_100000211926_100009814663 [0,2,0,0,0,0|1,1,0]=4 19741 B13R1.1630 Cc1cc(c(cc1C)SCCO)O 62a_100009814663_100000211926 [0,2,0,0,0,0|1,1,0]=4 19742 B13R1.1630 Cc1cc(c(cc1Cl)Br)OCC#N 7a_100022700756_100011215382 [0,2,0,0,0,0|1,0,1]=4 19743 B13R1.1630 Cc1cc(c(cc1Cl)Br)OCC=O 34a_100022700756_200009817547 [0,2,0,0,0,0|0,0,2]=4 19744 B13R1.1630 Cc1cc(c(cc1Cl)Br)OCC=O 7a_100022700756_200015260668 [0,2,0,0,0,0|0,0,2]=4 19745 B13R1.1630 Cc1cc(c(cc1Cl)Br)OCCF 34a_100022700756_100011217306 [0,2,0,0,0,0|1,0,0]=3 19746 B13R1.1630 Cc1cc(c(cc1Cl)Br)OCCF 7a_100022700756_100011217306 [0,2,0,0,0,0|1,0,0]=3 19747 B13R1.1630 Cc1cc(c(cc1Cl)Br)OCCO 34a_100022700756_100000211926 [0,2,0,0,0,0|0,0,0]=2 19748 B13R1.1630 Cc1cc(c(cc1Cl)Br)OCCO 7a_100022700756_100000211926 [0,2,0,0,0,0|0,0,0]=2 19749 B13R1.1630 Cc1cc(c(cc1Cl)C)NCCF 2230a_100011830454_100011217306 [0,2,0,0,0,0|2,0,0]=4 19750 B13R1.1630 Cc1cc(c(cc1Cl)C)NCCF 34a_100011830454_100011217306 [0,2,0,0,0,0|2,0,0]=4 19751 B13R1.1630 Cc1cc(c(cc1Cl)C)NCCF 7a_100011830454_100011217306 [0,2,0,0,0,0|2,0,0]=4 19752 B13R1.1630 Cc1cc(c(cc1Cl)C)NCCO 2230a_100011830454_100000211926 [0,2,0,0,0,0|1,0,0]=3 19753 B13R1.1630 Cc1cc(c(cc1Cl)C)NCCO 34a_100011830454_100000211926 [0,2,0,0,0,0|1,0,0]=3 19754 B13R1.1630 Cc1cc(c(cc1Cl)C)NCCO 7a_100011830454_100000211926 [0,2,0,0,0,0|1,0,0]=3 19755 B13R1.1630 Cc1cc(c(cc1Cl)C)SCCF 62a_100011217306_100012357408 [0,2,0,0,0,0|1,1,0]=4 19756 B13R1.1630 Cc1cc(c(cc1Cl)C)SCCF 62a_100012357408_100011217306 [0,2,0,0,0,0|1,1,0]=4 19757 B13R1.1630 Cc1cc(c(cc1Cl)C)SCCO 62a_100000211926_100012357408 [0,2,0,0,0,0|0,1,0]=3 19758 B13R1.1630 Cc1cc(c(cc1Cl)C)SCCO 62a_100012357408_100000211926 [0,2,0,0,0,0|0,1,0]=3 19759 B13R1.1630 Cc1cc(c(cc1Cl)Cl)NCCF 34a_100012000392_100011217306 [0,2,0,0,0,0|2,0,0]=4 19760 B13R1.1630 Cc1cc(c(cc1Cl)Cl)NCCF 7a_100012000392_100011217306 [0,2,0,0,0,0|2,0,0]=4 19761 B13R1.1630 Cc1cc(c(cc1Cl)Cl)NCCO 34a_100012000392_100000211926 [0,2,0,0,0,0|1,0,0]=3 19762 B13R1.1630 Cc1cc(c(cc1Cl)Cl)NCCO 7a_100012000392_100000211926 [0,2,0,0,0,0|1,0,0]=3 19763 B13R1.1630 Cc1cc(c(cc1Cl)Cl)OCC#N 7a_100012002691_100011215382 [0,2,0,0,0,0|1,0,1]=4 19764 B13R1.1630 Cc1cc(c(cc1Cl)Cl)OCC=O 34a_100012002691_200009817547 [0,2,0,0,0,0|0,0,2]=4 19765 B13R1.1630 Cc1cc(c(cc1Cl)Cl)OCC=O 7a_100012002691_200015260668 [0,2,0,0,0,0|0,0,2]=4 19766 B13R1.1630 Cc1cc(c(cc1Cl)Cl)OCCF 34a_100012002691_100011217306 [0,2,0,0,0,0|1,0,0]=3 19767 B13R1.1630 Cc1cc(c(cc1Cl)Cl)OCCF 7a_100012002691_100011217306 [0,2,0,0,0,0|1,0,0]=3 19768 B13R1.1630 Cc1cc(c(cc1Cl)Cl)OCCO 34a_100012002691_100000211926 [0,2,0,0,0,0|0,0,0]=2 19769 B13R1.1630 Cc1cc(c(cc1Cl)Cl)OCCO 7a_100012002691_100000211926 [0,2,0,0,0,0|0,0,0]=2 19770 B13R1.1630 Cc1cc(c(cc1Cl)F)NCCF 34a_100000091823_100011217306 [0,2,0,0,0,0|2,0,0]=4 19771 B13R1.1630 Cc1cc(c(cc1Cl)F)NCCF 7a_100000091823_100011217306 [0,2,0,0,0,0|2,0,0]=4 19772 B13R1.1630 Cc1cc(c(cc1Cl)F)NCCO 34a_100000091823_100000211926 [0,2,0,0,0,0|1,0,0]=3 19773 B13R1.1630 Cc1cc(c(cc1Cl)F)NCCO 7a_100000091823_100000211926 [0,2,0,0,0,0|1,0,0]=3 19774 B13R1.1630 Cc1cc(c(cc1Cl)N)OCC#N 7a_100000091707_100011215382 [0,2,0,0,0,0|1,0,1]=4 19775 B13R1.1630 Cc1cc(c(cc1Cl)N)OCC=O 34a_100000091707_200009817547 [0,2,0,0,0,0|0,0,2]=4 19776 B13R1.1630 Cc1cc(c(cc1Cl)N)OCC=O 7a_100000091707_200015260668 [0,2,0,0,0,0|0,0,2]=4 19777 B13R1.1630 Cc1cc(c(cc1Cl)N)OCCF 34a_100000091707_100011217306 [0,2,0,0,0,0|1,0,0]=3 19778 B13R1.1630 Cc1cc(c(cc1Cl)N)OCCF 7a_100000091707_100011217306 [0,2,0,0,0,0|1,0,0]=3 19779 B13R1.1630 Cc1cc(c(cc1Cl)N)OCCO 34a_100000091707_100000211926 [0,2,0,0,0,0|0,0,0]=2 19780 B13R1.1630 Cc1cc(c(cc1Cl)N)OCCO 7a_100000091707_100000211926 [0,2,0,0,0,0|0,0,0]=2 19781 B13R1.1630 Cc1cc(c(cc1Cl)NCCO)Br 34a_100000702286_100000211926 [0,2,0,0,0,0|2,0,0]=4 19782 B13R1.1630 Cc1cc(c(cc1Cl)NCCO)Br 7a_100000702286_100000211926 [0,2,0,0,0,0|2,0,0]=4 19783 B13R1.1630 Cc1cc(c(cc1Cl)NCCO)O 34a_100000091707_100000211926 [0,2,0,0,0,0|2,0,0]=4 19784 B13R1.1630 Cc1cc(c(cc1F)Br)NCCO 34a_100010233353_100000211926 [0,2,0,0,0,0|1,1,0]=4 19785 B13R1.1630 Cc1cc(c(cc1F)Br)NCCO 7a_100010233353_100000211926 [0,2,0,0,0,0|1,1,0]=4 19786 B13R1.1630 Cc1cc(c(cc1F)Br)SCCO 62a_100000211926_200009814773 [0,2,0,0,0,0|0,2,0]=4 19787 B13R1.1630 Cc1cc(c(cc1F)Br)SCCO 62a_200009814773_100000211926 [0,2,0,0,0,0|0,2,0]=4 19788 B13R1.1630 Cc1cc(c(cc1F)C)OCCF 34a_100010674473_100011217306 [0,2,0,0,0,0|1,1,0]=4 19789 B13R1.1630 Cc1cc(c(cc1F)C)OCCF 7a_100010674473_100011217306 [0,2,0,0,0,0|1,1,0]=4 19790 B13R1.1630 Cc1cc(c(cc1F)C)OCCO 34a_100010674473_100000211926 [0,2,0,0,0,0|0,1,0]=3 19791 B13R1.1630 Cc1cc(c(cc1F)C)OCCO 7a_100010674473_100000211926 [0,2,0,0,0,0|0,1,0]=3 19792 B13R1.1630 Cc1cc(c(cc1F)C)SCCO 62a_100000211926_100010212296 [0,2,0,0,0,0|0,2,0]=4 19793 B13R1.1630 Cc1cc(c(cc1F)C)SCCO 62a_100010212296_100000211926 [0,2,0,0,0,0|0,2,0]=4 19794 B13R1.1630 Cc1cc(c(cc1F)Cl)NCCO 34a_100000729549_100000211926 [0,2,0,0,0,0|1,1,0]=4 19795 B13R1.1630 Cc1cc(c(cc1F)Cl)NCCO 7a_100000729549_100000211926 [0,2,0,0,0,0|1,1,0]=4 19796 B13R1.1630 Cc1cc(c(cc1F)F)SCCO 62a_100000211926_100000692463 [0,2,0,0,0,0|0,2,0]=4 19797 B13R1.1630 Cc1cc(c(cc1F)F)SCCO 62a_100000692463_100000211926 [0,2,0,0,0,0|0,2,0]=4 19798 B13R1.1630 Cc1cc(c(cc1F)I)NCCO 34a_100010238302_100000211926 [0,2,0,0,0,0|1,1,0]=4 19799 B13R1.1630 Cc1cc(c(cc1F)I)NCCO 7a_100010238302_100000211926 [0,2,0,0,0,0|1,1,0]=4 19800 B13R1.1630 Cc1cc(c(cc1F)N)SCCO 62a_100000211926_100011218008 [0,2,0,0,0,0|0,2,0]=4 19801 B13R1.1630 Cc1cc(c(cc1F)N)SCCO 62a_100011218008_100000211926 [0,2,0,0,0,0|0,2,0]=4 19802 B13R1.1630 Cc1cc(c(cc1F)NCCO)Br 34a_100011218008_100000211926 [0,2,0,0,0,0|2,0,0]=4 19803 B13R1.1630 Cc1cc(c(cc1F)NCCO)Br 7a_100011218008_100000211926 [0,2,0,0,0,0|2,0,0]=4 19804 B13R1.1630 Cc1cc(c(cc1F)NCCO)F 2230a_100012002673_100000211926 [0,2,0,0,0,0|2,0,0]=4 19805 B13R1.1630 Cc1cc(c(cc1F)NCCO)F 34a_100012002673_100000211926 [0,2,0,0,0,0|2,0,0]=4 19806 B13R1.1630 Cc1cc(c(cc1F)NCCO)F 7a_100012002673_100000211926 [0,2,0,0,0,0|2,0,0]=4 19807 B13R1.1630 Cc1cc(c(cc1F)O)NCCO 34a_100012022779_100000211926 [0,2,0,0,0,0|1,1,0]=4 19808 B13R1.1630 Cc1cc(c(cc1F)O)NCCO 7a_100012022779_100000211926 [0,2,0,0,0,0|1,1,0]=4 19809 B13R1.1630 Cc1cc(c(cc1F)OCCF)N 34a_100012022779_100011217306 [0,2,0,0,0,0|2,0,0]=4 19810 B13R1.1630 Cc1cc(c(cc1F)OCCF)N 7a_100012022779_100011217306 [0,2,0,0,0,0|2,0,0]=4 19811 B13R1.1630 Cc1cc(c(cc1F)OCCO)N 34a_100012022779_100000211926 [0,2,0,0,0,0|1,0,0]=3 19812 B13R1.1630 Cc1cc(c(cc1F)OCCO)N 7a_100012022779_100000211926 [0,2,0,0,0,0|1,0,0]=3 19813 B13R1.1630 Cc1cc(c(cc1F)SCCO)Br 62a_100000211926_200009814774 [0,2,0,0,0,0|1,1,0]=4 19814 B13R1.1630 Cc1cc(c(cc1F)SCCO)Br 62a_200009814774_100000211926 [0,2,0,0,0,0|1,1,0]=4 19815 B13R1.1630 Cc1cc(c(cc1F)SCCO)F 62a_100000211926_100011219510 [0,2,0,0,0,0|1,1,0]=4 19816 B13R1.1630 Cc1cc(c(cc1F)SCCO)F 62a_100011219510_100000211926 [0,2,0,0,0,0|1,1,0]=4 19817 B13R1.1630 Cc1cc(c(cc1F)SCCO)N 62a_100000211926_100010233353 [0,2,0,0,0,0|1,1,0]=4 19818 B13R1.1630 Cc1cc(c(cc1F)SCCO)N 62a_100010233353_100000211926 [0,2,0,0,0,0|1,1,0]=4 19819 B13R1.1630 Cc1cc(c(cc1I)C)OCCF 34a_200011215153_100011217306 [0,2,0,0,0,0|1,1,0]=4 19820 B13R1.1630 Cc1cc(c(cc1I)C)OCCF 7a_200011215153_100011217306 [0,2,0,0,0,0|1,1,0]=4 19821 B13R1.1630 Cc1cc(c(cc1I)C)OCCO 34a_200011215153_100000211926 [0,2,0,0,0,0|0,1,0]=3 19822 B13R1.1630 Cc1cc(c(cc1I)C)OCCO 7a_200011215153_100000211926 [0,2,0,0,0,0|0,1,0]=3 19823 B13R1.1630 Cc1cc(c(cc1I)NCCO)F 34a_100011014115_100000211926 [0,2,0,0,0,0|2,0,0]=4 19824 B13R1.1630 Cc1cc(c(cc1I)NCCO)F 7a_100011014115_100000211926 [0,2,0,0,0,0|2,0,0]=4 19825 B13R1.1630 Cc1cc(c(cc1N)C)OCCF 34a_100000720036_100011217306 [0,2,0,0,0,0|2,0,0]=4 19826 B13R1.1630 Cc1cc(c(cc1N)C)OCCF 7a_100000720036_100011217306 [0,2,0,0,0,0|2,0,0]=4 19827 B13R1.1630 Cc1cc(c(cc1N)C)OCCO 34a_100000720036_100000211926 [0,2,0,0,0,0|1,0,0]=3 19828 B13R1.1630 Cc1cc(c(cc1N)C)OCCO 7a_100000720036_100000211926 [0,2,0,0,0,0|1,0,0]=3 19829 B13R1.1630 Cc1cc(c(cc1N)C)SCCO 62a_100000211926_100011934712 [0,2,0,0,0,0|1,1,0]=4 19830 B13R1.1630 Cc1cc(c(cc1N)C)SCCO 62a_100011934712_100000211926 [0,2,0,0,0,0|1,1,0]=4 19831 B13R1.1630 Cc1cc(c(cc1N)F)SCCO 62a_100000211926_100000695870 [0,2,0,0,0,0|1,1,0]=4 19832 B13R1.1630 Cc1cc(c(cc1N)F)SCCO 62a_100000695870_100000211926 [0,2,0,0,0,0|1,1,0]=4 19833 B13R1.1630 Cc1cc(c(cc1N)N)SCCO 62a_100000211926_200013038441 [0,2,0,0,0,0|1,1,0]=4 19834 B13R1.1630 Cc1cc(c(cc1N)N)SCCO 62a_200013038441_100000211926 [0,2,0,0,0,0|1,1,0]=4 19835 B13R1.1630 Cc1cc(c(cc1N)OCCF)Cl 34a_100009961766_100011217306 [0,2,0,0,0,0|2,0,0]=4 19836 B13R1.1630 Cc1cc(c(cc1N)OCCF)Cl 7a_100009961766_100011217306 [0,2,0,0,0,0|2,0,0]=4 19837 B13R1.1630 Cc1cc(c(cc1N)OCCO)Cl 34a_100009961766_100000211926 [0,2,0,0,0,0|1,0,0]=3 19838 B13R1.1630 Cc1cc(c(cc1N)OCCO)Cl 7a_100009961766_100000211926 [0,2,0,0,0,0|1,0,0]=3 19839 B13R1.1630 Cc1cc(c(cc1N)SCCO)C 62a_100000211926_100000703630 [0,2,0,0,0,0|1,1,0]=4 19840 B13R1.1630 Cc1cc(c(cc1N)SCCO)C 62a_100000703630_100000211926 [0,2,0,0,0,0|1,1,0]=4 19841 B13R1.1630 Cc1cc(c(cc1N)SCCO)F 62a_100000211926_100000717900 [0,2,0,0,0,0|1,1,0]=4 19842 B13R1.1630 Cc1cc(c(cc1N)SCCO)F 62a_100000717900_100000211926 [0,2,0,0,0,0|1,1,0]=4 19843 B13R1.1630 Cc1cc(c(cc1NCCF)Br)Cl 2230a_100010244688_100011217306 [0,2,0,0,0,0|2,0,0]=4 19844 B13R1.1630 Cc1cc(c(cc1NCCF)Br)Cl 34a_100010244688_100011217306 [0,2,0,0,0,0|2,0,0]=4 19845 B13R1.1630 Cc1cc(c(cc1NCCF)Br)Cl 7a_100010244688_100011217306 [0,2,0,0,0,0|2,0,0]=4 19846 B13R1.1630 Cc1cc(c(cc1NCCF)Cl)Cl 34a_100012017293_100011217306 [0,2,0,0,0,0|2,0,0]=4 19847 B13R1.1630 Cc1cc(c(cc1NCCF)Cl)Cl 7a_100012017293_100011217306 [0,2,0,0,0,0|2,0,0]=4 19848 B13R1.1630 Cc1cc(c(cc1NCCF)O)Cl 34a_100009961766_100011217306 [0,2,0,0,0,0|2,0,0]=4 19849 B13R1.1630 Cc1cc(c(cc1NCCF)O)Cl 7a_100009961766_100011217306 [0,2,0,0,0,0|2,0,0]=4 19850 B13R1.1630 Cc1cc(c(cc1NCCO)Br)Cl 2230a_100010244688_100000211926 [0,2,0,0,0,0|1,0,0]=3 19851 B13R1.1630 Cc1cc(c(cc1NCCO)Br)Cl 34a_100010244688_100000211926 [0,2,0,0,0,0|1,0,0]=3 19852 B13R1.1630 Cc1cc(c(cc1NCCO)Br)Cl 7a_100010244688_100000211926 [0,2,0,0,0,0|1,0,0]=3 19853 B13R1.1630 Cc1cc(c(cc1NCCO)Br)F 2230a_100000717900_100000211926 [0,2,0,0,0,0|1,1,0]=4 19854 B13R1.1630 Cc1cc(c(cc1NCCO)Br)F 34a_100000717900_100000211926 [0,2,0,0,0,0|1,1,0]=4 19855 B13R1.1630 Cc1cc(c(cc1NCCO)Br)F 7a_100000717900_100000211926 [0,2,0,0,0,0|1,1,0]=4 19856 B13R1.1630 Cc1cc(c(cc1NCCO)Cl)Br 2230a_100012353740_100000211926 [0,2,0,0,0,0|1,1,0]=4 19857 B13R1.1630 Cc1cc(c(cc1NCCO)Cl)Br 34a_100012353740_100000211926 [0,2,0,0,0,0|1,1,0]=4 19858 B13R1.1630 Cc1cc(c(cc1NCCO)Cl)Br 7a_100012353740_100000211926 [0,2,0,0,0,0|1,1,0]=4 19859 B13R1.1630 Cc1cc(c(cc1NCCO)Cl)Cl 34a_100012017293_100000211926 [0,2,0,0,0,0|1,0,0]=3 19860 B13R1.1630 Cc1cc(c(cc1NCCO)Cl)Cl 7a_100012017293_100000211926 [0,2,0,0,0,0|1,0,0]=3 19861 B13R1.1630 Cc1cc(c(cc1NCCO)Cl)F 2230a_100012017673_100000211926 [0,2,0,0,0,0|1,1,0]=4 19862 B13R1.1630 Cc1cc(c(cc1NCCO)Cl)F 34a_100012017673_100000211926 [0,2,0,0,0,0|1,1,0]=4 19863 B13R1.1630 Cc1cc(c(cc1NCCO)Cl)F 7a_100012017673_100000211926 [0,2,0,0,0,0|1,1,0]=4 19864 B13R1.1630 Cc1cc(c(cc1NCCO)F)Br 2230a_100000695870_100000211926 [0,2,0,0,0,0|1,1,0]=4 19865 B13R1.1630 Cc1cc(c(cc1NCCO)F)Br 34a_100000695870_100000211926 [0,2,0,0,0,0|1,1,0]=4 19866 B13R1.1630 Cc1cc(c(cc1NCCO)F)Br 7a_100000695870_100000211926 [0,2,0,0,0,0|1,1,0]=4 19867 B13R1.1630 Cc1cc(c(cc1NCCO)F)F 2230a_100011830416_100000211926 [0,2,0,0,0,0|1,1,0]=4 19868 B13R1.1630 Cc1cc(c(cc1NCCO)F)F 34a_100011830416_100000211926 [0,2,0,0,0,0|1,1,0]=4 19869 B13R1.1630 Cc1cc(c(cc1NCCO)F)F 7a_100011830416_100000211926 [0,2,0,0,0,0|1,1,0]=4 19870 B13R1.1630 Cc1cc(c(cc1NCCO)F)I 34a_100010291052_100000211926 [0,2,0,0,0,0|1,1,0]=4 19871 B13R1.1630 Cc1cc(c(cc1NCCO)F)I 7a_100010291052_100000211926 [0,2,0,0,0,0|1,1,0]=4 19872 B13R1.1630 Cc1cc(c(cc1NCCO)O)Cl 34a_100009961766_100000211926 [0,2,0,0,0,0|1,0,0]=3 19873 B13R1.1630 Cc1cc(c(cc1NCCO)O)Cl 7a_100009961766_100000211926 [0,2,0,0,0,0|1,0,0]=3 19874 B13R1.1630 Cc1cc(c(cc1O)C)NCCO 34a_100000720036_100000211926 [0,2,0,0,0,0|2,0,0]=4 19875 B13R1.1630 Cc1cc(c(cc1O)C)NCCO 7a_100000720036_100000211926 [0,2,0,0,0,0|2,0,0]=4 19876 B13R1.1630 Cc1cc(c(cc1O)C)SCCO 62a_100000211926_100000698207 [0,2,0,0,0,0|1,1,0]=4 19877 B13R1.1630 Cc1cc(c(cc1O)C)SCCO 62a_100000698207_100000211926 [0,2,0,0,0,0|1,1,0]=4 19878 B13R1.1630 Cc1cc(c(cc1O)NCCO)Cl 34a_100000092876_100000211926 [0,2,0,0,0,0|2,0,0]=4 19879 B13R1.1630 Cc1cc(c(cc1O)NCCO)Cl 7a_100000092876_100000211926 [0,2,0,0,0,0|2,0,0]=4 19880 B13R1.1630 Cc1cc(c(cc1O)NCCO)F 34a_100000117193_100000211926 [0,2,0,0,0,0|2,0,0]=4 19881 B13R1.1630 Cc1cc(c(cc1O)NCCO)F 7a_100000117193_100000211926 [0,2,0,0,0,0|2,0,0]=4 19882 B13R1.1630 Cc1cc(c(cc1O)SCCO)F 62a_100000211926_100014242602 [0,2,0,0,0,0|1,1,0]=4 19883 B13R1.1630 Cc1cc(c(cc1O)SCCO)F 62a_100014242602_100000211926 [0,2,0,0,0,0|1,1,0]=4 19884 B13R1.1630 Cc1cc(c(cc1OCC#N)N)Cl 7a_100000092876_100011215382 [0,2,0,0,0,0|1,0,1]=4 19885 B13R1.1630 Cc1cc(c(cc1OCC=O)N)Cl 34a_100000092876_200009817547 [0,2,0,0,0,0|0,0,2]=4 19886 B13R1.1630 Cc1cc(c(cc1OCC=O)N)Cl 7a_100000092876_200015260668 [0,2,0,0,0,0|0,0,2]=4 19887 B13R1.1630 Cc1cc(c(cc1OCCF)Br)F 34a_100014242602_100011217306 [0,2,0,0,0,0|1,1,0]=4 19888 B13R1.1630 Cc1cc(c(cc1OCCF)Br)F 7a_100014242602_100011217306 [0,2,0,0,0,0|1,1,0]=4 19889 B13R1.1630 Cc1cc(c(cc1OCCF)F)F 34a_100000728840_100011217306 [0,2,0,0,0,0|1,1,0]=4 19890 B13R1.1630 Cc1cc(c(cc1OCCF)F)F 7a_100000728840_100011217306 [0,2,0,0,0,0|1,1,0]=4 19891 B13R1.1630 Cc1cc(c(cc1OCCF)I)F 34a_100010080512_100011217306 [0,2,0,0,0,0|1,1,0]=4 19892 B13R1.1630 Cc1cc(c(cc1OCCF)I)F 7a_100010080512_100011217306 [0,2,0,0,0,0|1,1,0]=4 19893 B13R1.1630 Cc1cc(c(cc1OCCF)N)Cl 34a_100000092876_100011217306 [0,2,0,0,0,0|1,0,0]=3 19894 B13R1.1630 Cc1cc(c(cc1OCCF)N)Cl 7a_100000092876_100011217306 [0,2,0,0,0,0|1,0,0]=3 19895 B13R1.1630 Cc1cc(c(cc1OCCF)N)F 34a_100000117193_100011217306 [0,2,0,0,0,0|1,1,0]=4 19896 B13R1.1630 Cc1cc(c(cc1OCCF)N)F 7a_100000117193_100011217306 [0,2,0,0,0,0|1,1,0]=4 19897 B13R1.1630 Cc1cc(c(cc1OCCO)Br)F 34a_100014242602_100000211926 [0,2,0,0,0,0|0,1,0]=3 19898 B13R1.1630 Cc1cc(c(cc1OCCO)Br)F 7a_100014242602_100000211926 [0,2,0,0,0,0|0,1,0]=3 19899 B13R1.1630 Cc1cc(c(cc1OCCO)F)F 34a_100000728840_100000211926 [0,2,0,0,0,0|0,1,0]=3 19900 B13R1.1630 Cc1cc(c(cc1OCCO)F)F 7a_100000728840_100000211926 [0,2,0,0,0,0|0,1,0]=3 19901 B13R1.1630 Cc1cc(c(cc1OCCO)I)F 34a_100010080512_100000211926 [0,2,0,0,0,0|0,1,0]=3 19902 B13R1.1630 Cc1cc(c(cc1OCCO)I)F 7a_100010080512_100000211926 [0,2,0,0,0,0|0,1,0]=3 19903 B13R1.1630 Cc1cc(c(cc1OCCO)N)Cl 34a_100000092876_100000211926 [0,2,0,0,0,0|0,0,0]=2 19904 B13R1.1630 Cc1cc(c(cc1OCCO)N)Cl 7a_100000092876_100000211926 [0,2,0,0,0,0|0,0,0]=2 19905 B13R1.1630 Cc1cc(c(cc1OCCO)N)F 34a_100000117193_100000211926 [0,2,0,0,0,0|0,1,0]=3 19906 B13R1.1630 Cc1cc(c(cc1OCCO)N)F 7a_100000117193_100000211926 [0,2,0,0,0,0|0,1,0]=3 19907 B13R1.1630 Cc1cc(c(cc1SCCO)Br)F 62a_100000211926_100011216669 [0,2,0,0,0,0|0,2,0]=4 19908 B13R1.1630 Cc1cc(c(cc1SCCO)Br)F 62a_100011216669_100000211926 [0,2,0,0,0,0|0,2,0]=4 19909 B13R1.1630 Cc1cc(c(cc1SCCO)Cl)Br 62a_100000211926_200009814780 [0,2,0,0,0,0|0,2,0]=4 19910 B13R1.1630 Cc1cc(c(cc1SCCO)Cl)Br 62a_200009814780_100000211926 [0,2,0,0,0,0|0,2,0]=4 19911 B13R1.1630 Cc1cc(c(cc1SCCO)F)Br 62a_100000211926_100011356895 [0,2,0,0,0,0|0,2,0]=4 19912 B13R1.1630 Cc1cc(c(cc1SCCO)F)Br 62a_100011356895_100000211926 [0,2,0,0,0,0|0,2,0]=4 19913 B13R1.1630 Cc1cc(c(cc1SCCO)F)F 62a_100000211926_100009815990 [0,2,0,0,0,0|0,2,0]=4 19914 B13R1.1630 Cc1cc(c(cc1SCCO)F)F 62a_100009815990_100000211926 [0,2,0,0,0,0|0,2,0]=4 19915 B13R1.1630 Cc1cc(c(cc1SCCO)F)N 62a_100000211926_100000691575 [0,2,0,0,0,0|1,1,0]=4 19916 B13R1.1630 Cc1cc(c(cc1SCCO)F)N 62a_100000691575_100000211926 [0,2,0,0,0,0|1,1,0]=4 19917 B13R1.1630 Cc1cc(c(cc1SCCO)F)O 62a_100000211926_100012355673 [0,2,0,0,0,0|1,1,0]=4 19918 B13R1.1630 Cc1cc(c(cc1SCCO)F)O 62a_100012355673_100000211926 [0,2,0,0,0,0|1,1,0]=4 19919 B13R1.1630 Cc1cc(c(cc1SCCO)N)F 62a_100000211926_100011014115 [0,2,0,0,0,0|0,2,0]=4 19920 B13R1.1630 Cc1cc(c(cc1SCCO)N)F 62a_100011014115_100000211926 [0,2,0,0,0,0|0,2,0]=4 19921 B13R1.1630 Cc1cc(c(cc1SCCO)N)N 62a_100000211926_100010080480 [0,2,0,0,0,0|1,1,0]=4 19922 B13R1.1630 Cc1cc(c(cc1SCCO)N)N 62a_100010080480_100000211926 [0,2,0,0,0,0|1,1,0]=4 19923 B13R1.1630 Cc1cc(c(cc1SCCO)N)O 62a_100000211926_200010235796 [0,2,0,0,0,0|1,1,0]=4 19924 B13R1.1630 Cc1cc(c(cc1SCCO)N)O 62a_200010235796_100000211926 [0,2,0,0,0,0|1,1,0]=4 19925 B13R1.1630 Cc1cc(c(cc1SCCO)O)F 62a_100000211926_100010068922 [0,2,0,0,0,0|0,2,0]=4 19926 B13R1.1630 Cc1cc(c(cc1SCCO)O)F 62a_100010068922_100000211926 [0,2,0,0,0,0|0,2,0]=4 19927 B13R1.1630 Cc1cc(c(cc1SCCO)O)N 62a_100000211926_200010107346 [0,2,0,0,0,0|1,1,0]=4 19928 B13R1.1630 Cc1cc(c(cc1SCCO)O)N 62a_200010107346_100000211926 [0,2,0,0,0,0|1,1,0]=4 19929 B13R1.1630 Cc1nc(c(cc1Cl)Br)OCCF 34a_200010749519_100011217306 [0,2,0,0,0,0|2,0,0]=4 19930 B13R1.1630 Cc1nc(c(cc1Cl)Br)OCCO 34a_200010749519_100000211926 [0,2,0,0,0,0|1,0,0]=3 19931 B13R1.1630 FCCNc1cc(c(cc1Br)Cl)F 34a_100010254744_100011217306 [0,2,0,0,0,0|2,0,0]=4 19932 B13R1.1630 FCCNc1cc(c(cc1Br)Cl)F 7a_100010254744_100011217306 [0,2,0,0,0,0|2,0,0]=4 19933 B13R1.1630 FCCNc1cc(c(cc1Cl)Cl)Br 34a_200012360370_100011217306 [0,2,0,0,0,0|2,0,0]=4 19934 B13R1.1630 FCCNc1cc(c(cc1Cl)Cl)Br 7a_200012360370_100011217306 [0,2,0,0,0,0|2,0,0]=4 19935 B13R1.1630 FCCNc1cc(c(cc1Cl)Cl)Cl 34a_100000211015_100011217306 [0,2,0,0,0,0|2,0,0]=4 19936 B13R1.1630 FCCNc1cc(c(cc1Cl)Cl)Cl 7a_100000211015_100011217306 [0,2,0,0,0,0|2,0,0]=4 19937 B13R1.1630 FCCNc1cc(c(cc1Cl)Cl)F 34a_100012017157_100011217306 [0,2,0,0,0,0|2,0,0]=4 19938 B13R1.1630 FCCNc1cc(c(cc1Cl)Cl)F 7a_100012017157_100011217306 [0,2,0,0,0,0|2,0,0]=4 19939 B13R1.1630 FCCNc1cc(c(cc1Cl)Cl)I 7a_100016224655_100011217306 [0,2,0,0,0,0|2,0,0]=4 19940 B13R1.1630 FCCNc1cc(c(cc1F)Cl)Br 34a_100013023876_100011217306 [0,2,0,0,0,0|2,0,0]=4 19941 B13R1.1630 FCCNc1cc(c(cc1F)Cl)Br 7a_100013023876_100011217306 [0,2,0,0,0,0|2,0,0]=4 19942 B13R1.1630 FCCNc1cc(c(cc1F)Cl)Cl 34a_100000724578_100011217306 [0,2,0,0,0,0|2,0,0]=4 19943 B13R1.1630 FCCNc1cc(c(cc1F)Cl)Cl 7a_100000724578_100011217306 [0,2,0,0,0,0|2,0,0]=4 19944 B13R1.1630 FCCNc1cc(c(cc1F)Cl)F 34a_100011998097_100011217306 [0,2,0,0,0,0|2,0,0]=4 19945 B13R1.1630 FCCNc1cc(c(cc1F)Cl)F 7a_100011998097_100011217306 [0,2,0,0,0,0|2,0,0]=4 19946 B13R1.1630 FCCNc1cc(c(cc1I)Cl)Cl 7a_200011093942_100011217306 [0,2,0,0,0,0|2,0,0]=4 19947 B13R1.1630 FCCNc1cc(c(cc1I)Cl)F 34a_100010892166_100011217306 [0,2,0,0,0,0|2,0,0]=4 19948 B13R1.1630 FCCNc1cc(c(cc1I)Cl)F 7a_100010892166_100011217306 [0,2,0,0,0,0|2,0,0]=4 19949 B13R1.1630 FCCOc1cc(c(cc1Br)F)F 34a_100009813768_100011217306 [0,2,0,0,0,0|1,1,0]=4 19950 B13R1.1630 FCCOc1cc(c(cc1Br)F)F 7a_100009813768_100011217306 [0,2,0,0,0,0|1,1,0]=4 19951 B13R1.1630 FCCOc1cc(c(cc1Cl)Br)Cl 34a_100000719705_100011217306 [0,2,0,0,0,0|1,1,0]=4 19952 B13R1.1630 FCCOc1cc(c(cc1Cl)Br)Cl 7a_100000719705_100011217306 [0,2,0,0,0,0|1,1,0]=4 19953 B13R1.1630 FCCOc1cc(c(cc1Cl)Br)F 34a_100000726166_100011217306 [0,2,0,0,0,0|1,1,0]=4 19954 B13R1.1630 FCCOc1cc(c(cc1Cl)Br)F 7a_100000726166_100011217306 [0,2,0,0,0,0|1,1,0]=4 19955 B13R1.1630 FCCOc1cc(c(cc1Cl)Br)I 34a_100021297947_100011217306 [0,2,0,0,0,0|1,1,0]=4 19956 B13R1.1630 FCCOc1cc(c(cc1Cl)Br)I 7a_100021297947_100011217306 [0,2,0,0,0,0|1,1,0]=4 19957 B13R1.1630 FCCOc1cc(c(cc1Cl)Cl)Br 34a_100010203734_100011217306 [0,2,0,0,0,0|1,0,0]=3 19958 B13R1.1630 FCCOc1cc(c(cc1Cl)Cl)Br 7a_100010203734_100011217306 [0,2,0,0,0,0|1,0,0]=3 19959 B13R1.1630 FCCOc1cc(c(cc1Cl)Cl)Cl 34a_100000211312_100011217306 [0,2,0,0,0,0|1,0,0]=3 19960 B13R1.1630 FCCOc1cc(c(cc1Cl)Cl)Cl 7a_100000211312_100011217306 [0,2,0,0,0,0|1,0,0]=3 19961 B13R1.1630 FCCOc1cc(c(cc1Cl)F)Br 34a_100010189047_100011217306 [0,2,0,0,0,0|1,1,0]=4 19962 B13R1.1630 FCCOc1cc(c(cc1Cl)F)Br 7a_100010189047_100011217306 [0,2,0,0,0,0|1,1,0]=4 19963 B13R1.1630 FCCOc1cc(c(cc1Cl)F)F 34a_100009848785_100011217306 [0,2,0,0,0,0|1,1,0]=4 19964 B13R1.1630 FCCOc1cc(c(cc1Cl)F)F 7a_100009848785_100011217306 [0,2,0,0,0,0|1,1,0]=4 19965 B13R1.1630 FCCOc1cc(c(cc1Cl)F)I 34a_100010735246_100011217306 [0,2,0,0,0,0|1,1,0]=4 19966 B13R1.1630 FCCOc1cc(c(cc1Cl)F)I 7a_100010735246_100011217306 [0,2,0,0,0,0|1,1,0]=4 19967 B13R1.1630 FCCOc1cc(c(cc1F)Br)F 34a_100011830439_100011217306 [0,2,0,0,0,0|1,1,0]=4 19968 B13R1.1630 FCCOc1cc(c(cc1F)Br)F 7a_100011830439_100011217306 [0,2,0,0,0,0|1,1,0]=4 19969 B13R1.1630 FCCOc1cc(c(cc1F)F)Br 34a_100012457948_100011217306 [0,2,0,0,0,0|1,1,0]=4 19970 B13R1.1630 FCCOc1cc(c(cc1F)F)Br 7a_100012457948_100011217306 [0,2,0,0,0,0|1,1,0]=4 19971 B13R1.1630 FCCOc1cc(c(cc1F)F)F 34a_100000237555_100011217306 [0,2,0,0,0,0|1,1,0]=4 19972 B13R1.1630 FCCOc1cc(c(cc1F)F)F 7a_100000237555_100011217306 [0,2,0,0,0,0|1,1,0]=4 19973 B13R1.1630 FCCOc1cc(c(cc1F)F)I 34a_100015789030_100011217306 [0,2,0,0,0,0|1,1,0]=4 19974 B13R1.1630 FCCOc1cc(c(cc1F)F)I 7a_100015789030_100011217306 [0,2,0,0,0,0|1,1,0]=4 19975 B13R1.1630 FCCOc1cc(c(cc1I)F)F 34a_100010749349_100011217306 [0,2,0,0,0,0|1,1,0]=4 19976 B13R1.1630 FCCOc1cc(c(cc1I)F)F 7a_100010749349_100011217306 [0,2,0,0,0,0|1,1,0]=4 19977 B13R1.1630 FCCOc1nc(c(cc1Cl)Cl)Cl 34a_100011933978_100011217306 [0,2,0,0,0,0|2,0,0]=4 19978 B13R1.1630 FCCSc1cc(c(cc1Br)Cl)F 62a_100010254745_100011217306 [0,2,0,0,0,0|1,1,0]=4 19979 B13R1.1630 FCCSc1cc(c(cc1Br)Cl)F 62a_100011217306_100010254745 [0,2,0,0,0,0|1,1,0]=4 19980 B13R1.1630 FCCSc1cc(c(cc1Cl)Cl)Cl 62a_100011217306_200011216203 [0,2,0,0,0,0|1,1,0]=4 19981 B13R1.1630 FCCSc1cc(c(cc1Cl)Cl)Cl 62a_200011216203_100011217306 [0,2,0,0,0,0|1,1,0]=4 19982 B13R1.1630 FCCSc1cc(c(cc1F)Cl)F 62a_100010142863_100011217306 [0,2,0,0,0,0|1,1,0]=4 19983 B13R1.1630 FCCSc1cc(c(cc1F)Cl)F 62a_100011217306_100010142863 [0,2,0,0,0,0|1,1,0]=4 19984 B13R1.1630 N#CCOc1cc(c(cc1Cl)Cl)Br 7a_100010203734_100011215382 [0,2,0,0,0,0|1,0,1]=4 19985 B13R1.1630 N#CCOc1cc(c(cc1Cl)Cl)Cl 7a_100000211312_100011215382 [0,2,0,0,0,0|1,0,1]=4 19986 B13R1.1630 N#CCOc1cc(c(cc1Cl)Cl)N 7a_100000037174_100011215382 [0,2,0,0,0,0|1,0,1]=4 19987 B13R1.1630 N#CCOc1cc(c(cc1N)Cl)Cl 7a_100000696747_100011215382 [0,2,0,0,0,0|1,0,1]=4 19988 B13R1.1630 Nc1cc(c(cc1Br)OCCF)Br 34a_100011080774_100011217306 [0,2,0,0,0,0|2,0,0]=4 19989 B13R1.1630 Nc1cc(c(cc1Br)OCCF)Br 7a_100011080774_100011217306 [0,2,0,0,0,0|2,0,0]=4 19990 B13R1.1630 Nc1cc(c(cc1Br)OCCO)Br 34a_100011080774_100000211926 [0,2,0,0,0,0|1,0,0]=3 19991 B13R1.1630 Nc1cc(c(cc1Br)OCCO)Br 7a_100011080774_100000211926 [0,2,0,0,0,0|1,0,0]=3 19992 B13R1.1630 Nc1cc(c(cc1Cl)Cl)OCC=O 34a_100000037174_200009817547 [0,2,0,0,0,0|0,0,2]=4 19993 B13R1.1630 Nc1cc(c(cc1Cl)Cl)OCC=O 7a_100000037174_200015260668 [0,2,0,0,0,0|0,0,2]=4 19994 B13R1.1630 Nc1cc(c(cc1Cl)Cl)OCCF 34a_100000037174_100011217306 [0,2,0,0,0,0|1,0,0]=3 19995 B13R1.1630 Nc1cc(c(cc1Cl)Cl)OCCF 7a_100000037174_100011217306 [0,2,0,0,0,0|1,0,0]=3 19996 B13R1.1630 Nc1cc(c(cc1Cl)Cl)OCCO 34a_100000037174_100000211926 [0,2,0,0,0,0|0,0,0]=2 19997 B13R1.1630 Nc1cc(c(cc1Cl)Cl)OCCO 7a_100000037174_100000211926 [0,2,0,0,0,0|0,0,0]=2 19998 B13R1.1630 Nc1cc(c(cc1Cl)Cl)SCCF 62a_100011217306_100016224655 [0,2,0,0,0,0|1,1,0]=4 19999 B13R1.1630 Nc1cc(c(cc1Cl)Cl)SCCF 62a_100016224655_100011217306 [0,2,0,0,0,0|1,1,0]=4 20000 B13R1.1630 Nc1cc(c(cc1Cl)Cl)SCCO 62a_100000211926_100016224655 [0,2,0,0,0,0|0,1,0]=3 20001 B13R1.1630 Nc1cc(c(cc1Cl)Cl)SCCO 62a_100016224655_100000211926 [0,2,0,0,0,0|0,1,0]=3 20002 B13R1.1630 Nc1cc(c(cc1Cl)OCCF)Cl 34a_100012000071_100011217306 [0,2,0,0,0,0|2,0,0]=4 20003 B13R1.1630 Nc1cc(c(cc1Cl)OCCF)Cl 7a_100012000071_100011217306 [0,2,0,0,0,0|2,0,0]=4 20004 B13R1.1630 Nc1cc(c(cc1Cl)OCCF)F 34a_100009886023_100011217306 [0,2,0,0,0,0|2,0,0]=4 20005 B13R1.1630 Nc1cc(c(cc1Cl)OCCF)F 7a_100009886023_100011217306 [0,2,0,0,0,0|2,0,0]=4 20006 B13R1.1630 Nc1cc(c(cc1Cl)OCCO)Cl 34a_100012000071_100000211926 [0,2,0,0,0,0|1,0,0]=3 20007 B13R1.1630 Nc1cc(c(cc1Cl)OCCO)Cl 7a_100012000071_100000211926 [0,2,0,0,0,0|1,0,0]=3 20008 B13R1.1630 Nc1cc(c(cc1Cl)OCCO)F 34a_100009886023_100000211926 [0,2,0,0,0,0|1,0,0]=3 20009 B13R1.1630 Nc1cc(c(cc1Cl)OCCO)F 7a_100009886023_100000211926 [0,2,0,0,0,0|1,0,0]=3 20010 B13R1.1630 Nc1cc(c(cc1F)Cl)OCCF 34a_100000042052_100011217306 [0,2,0,0,0,0|1,1,0]=4 20011 B13R1.1630 Nc1cc(c(cc1F)Cl)OCCF 7a_100000042052_100011217306 [0,2,0,0,0,0|1,1,0]=4 20012 B13R1.1630 Nc1cc(c(cc1F)Cl)OCCO 34a_100000042052_100000211926 [0,2,0,0,0,0|0,1,0]=3 20013 B13R1.1630 Nc1cc(c(cc1F)Cl)OCCO 7a_100000042052_100000211926 [0,2,0,0,0,0|0,1,0]=3 20014 B13R1.1630 Nc1cc(c(cc1F)F)OCCF 34a_100011219470_100011217306 [0,2,0,0,0,0|1,1,0]=4 20015 B13R1.1630 Nc1cc(c(cc1F)F)OCCF 7a_100011219470_100011217306 [0,2,0,0,0,0|1,1,0]=4 20016 B13R1.1630 Nc1cc(c(cc1F)F)OCCO 34a_100011219470_100000211926 [0,2,0,0,0,0|0,1,0]=3 20017 B13R1.1630 Nc1cc(c(cc1F)F)OCCO 7a_100011219470_100000211926 [0,2,0,0,0,0|0,1,0]=3 20018 B13R1.1630 Nc1cc(c(cc1F)F)SCCO 62a_100000211926_100000700208 [0,2,0,0,0,0|0,2,0]=4 20019 B13R1.1630 Nc1cc(c(cc1F)F)SCCO 62a_100000700208_100000211926 [0,2,0,0,0,0|0,2,0]=4 20020 B13R1.1630 Nc1cc(c(cc1F)OCCF)F 34a_100020635945_100011217306 [0,2,0,0,0,0|2,0,0]=4 20021 B13R1.1630 Nc1cc(c(cc1F)OCCF)F 7a_100020635945_100011217306 [0,2,0,0,0,0|2,0,0]=4 20022 B13R1.1630 Nc1cc(c(cc1F)OCCO)F 34a_100020635945_100000211926 [0,2,0,0,0,0|1,0,0]=3 20023 B13R1.1630 Nc1cc(c(cc1F)OCCO)F 7a_100020635945_100000211926 [0,2,0,0,0,0|1,0,0]=3 20024 B13R1.1630 Nc1cc(c(cc1F)SCCO)F 62a_100000211926_100000690247 [0,2,0,0,0,0|1,1,0]=4 20025 B13R1.1630 Nc1cc(c(cc1F)SCCO)F 62a_100000690247_100000211926 [0,2,0,0,0,0|1,1,0]=4 20026 B13R1.1630 Nc1cc(c(cc1F)SCCO)N 62a_100000211926_200010115645 [0,2,0,0,0,0|1,1,0]=4 20027 B13R1.1630 Nc1cc(c(cc1F)SCCO)N 62a_200010115645_100000211926 [0,2,0,0,0,0|1,1,0]=4 20028 B13R1.1630 Nc1cc(c(cc1N)SCCO)F 62a_100000211926_100000766667 [0,2,0,0,0,0|1,1,0]=4 20029 B13R1.1630 Nc1cc(c(cc1N)SCCO)F 62a_100000766667_100000211926 [0,2,0,0,0,0|1,1,0]=4 20030 B13R1.1630 Nc1cc(c(cc1O)Cl)SCCO 62a_100000211926_100011011175 [0,2,0,0,0,0|1,1,0]=4 20031 B13R1.1630 Nc1cc(c(cc1O)Cl)SCCO 62a_100011011175_100000211926 [0,2,0,0,0,0|1,1,0]=4 20032 B13R1.1630 Nc1cc(c(cc1O)F)SCCO 62a_100000211926_100012359894 [0,2,0,0,0,0|1,1,0]=4 20033 B13R1.1630 Nc1cc(c(cc1O)F)SCCO 62a_100012359894_100000211926 [0,2,0,0,0,0|1,1,0]=4 20034 B13R1.1630 Nc1cc(c(cc1O)SCCO)F 62a_100000211926_100013038943 [0,2,0,0,0,0|1,1,0]=4 20035 B13R1.1630 Nc1cc(c(cc1O)SCCO)F 62a_100013038943_100000211926 [0,2,0,0,0,0|1,1,0]=4 20036 B13R1.1630 Nc1cc(c(cc1OCC=O)Cl)Cl 34a_100000696747_200009817547 [0,2,0,0,0,0|0,0,2]=4 20037 B13R1.1630 Nc1cc(c(cc1OCC=O)Cl)Cl 7a_100000696747_200015260668 [0,2,0,0,0,0|0,0,2]=4 20038 B13R1.1630 Nc1cc(c(cc1OCCF)Br)Br 34a_200010781931_100011217306 [0,2,0,0,0,0|1,1,0]=4 20039 B13R1.1630 Nc1cc(c(cc1OCCF)Br)Br 7a_200010781931_100011217306 [0,2,0,0,0,0|1,1,0]=4 20040 B13R1.1630 Nc1cc(c(cc1OCCF)Br)F 34a_100013038943_100011217306 [0,2,0,0,0,0|1,1,0]=4 20041 B13R1.1630 Nc1cc(c(cc1OCCF)Br)F 7a_100013038943_100011217306 [0,2,0,0,0,0|1,1,0]=4 20042 B13R1.1630 Nc1cc(c(cc1OCCF)Cl)Br 34a_100013488937_100011217306 [0,2,0,0,0,0|1,1,0]=4 20043 B13R1.1630 Nc1cc(c(cc1OCCF)Cl)Br 7a_100013488937_100011217306 [0,2,0,0,0,0|1,1,0]=4 20044 B13R1.1630 Nc1cc(c(cc1OCCF)Cl)Cl 34a_100000696747_100011217306 [0,2,0,0,0,0|1,0,0]=3 20045 B13R1.1630 Nc1cc(c(cc1OCCF)Cl)Cl 7a_100000696747_100011217306 [0,2,0,0,0,0|1,0,0]=3 20046 B13R1.1630 Nc1cc(c(cc1OCCF)Cl)I 34a_100011011175_100011217306 [0,2,0,0,0,0|1,1,0]=4 20047 B13R1.1630 Nc1cc(c(cc1OCCF)Cl)I 7a_100011011175_100011217306 [0,2,0,0,0,0|1,1,0]=4 20048 B13R1.1630 Nc1cc(c(cc1OCCF)F)Br 34a_100012359894_100011217306 [0,2,0,0,0,0|1,1,0]=4 20049 B13R1.1630 Nc1cc(c(cc1OCCF)F)Br 7a_100012359894_100011217306 [0,2,0,0,0,0|1,1,0]=4 20050 B13R1.1630 Nc1cc(c(cc1OCCF)F)F 34a_100011217416_100011217306 [0,2,0,0,0,0|1,1,0]=4 20051 B13R1.1630 Nc1cc(c(cc1OCCF)F)F 7a_100011217416_100011217306 [0,2,0,0,0,0|1,1,0]=4 20052 B13R1.1630 Nc1cc(c(cc1OCCO)Br)Br 34a_200010781931_100000211926 [0,2,0,0,0,0|0,1,0]=3 20053 B13R1.1630 Nc1cc(c(cc1OCCO)Br)Br 7a_200010781931_100000211926 [0,2,0,0,0,0|0,1,0]=3 20054 B13R1.1630 Nc1cc(c(cc1OCCO)Br)F 34a_100013038943_100000211926 [0,2,0,0,0,0|0,1,0]=3 20055 B13R1.1630 Nc1cc(c(cc1OCCO)Br)F 7a_100013038943_100000211926 [0,2,0,0,0,0|0,1,0]=3 20056 B13R1.1630 Nc1cc(c(cc1OCCO)Cl)Br 34a_100013488937_100000211926 [0,2,0,0,0,0|0,1,0]=3 20057 B13R1.1630 Nc1cc(c(cc1OCCO)Cl)Br 7a_100013488937_100000211926 [0,2,0,0,0,0|0,1,0]=3 20058 B13R1.1630 Nc1cc(c(cc1OCCO)Cl)Cl 34a_100000696747_100000211926 [0,2,0,0,0,0|0,0,0]=2 20059 B13R1.1630 Nc1cc(c(cc1OCCO)Cl)Cl 7a_100000696747_100000211926 [0,2,0,0,0,0|0,0,0]=2 20060 B13R1.1630 Nc1cc(c(cc1OCCO)Cl)I 34a_100011011175_100000211926 [0,2,0,0,0,0|0,1,0]=3 20061 B13R1.1630 Nc1cc(c(cc1OCCO)Cl)I 7a_100011011175_100000211926 [0,2,0,0,0,0|0,1,0]=3 20062 B13R1.1630 Nc1cc(c(cc1OCCO)F)Br 34a_100012359894_100000211926 [0,2,0,0,0,0|0,1,0]=3 20063 B13R1.1630 Nc1cc(c(cc1OCCO)F)Br 7a_100012359894_100000211926 [0,2,0,0,0,0|0,1,0]=3 20064 B13R1.1630 Nc1cc(c(cc1OCCO)F)F 34a_100011217416_100000211926 [0,2,0,0,0,0|0,1,0]=3 20065 B13R1.1630 Nc1cc(c(cc1OCCO)F)F 7a_100011217416_100000211926 [0,2,0,0,0,0|0,1,0]=3 20066 B13R1.1630 Nc1cc(c(cc1SCCF)Cl)Cl 62a_100011217306_200011093942 [0,2,0,0,0,0|1,1,0]=4 20067 B13R1.1630 Nc1cc(c(cc1SCCF)Cl)Cl 62a_200011093942_100011217306 [0,2,0,0,0,0|1,1,0]=4 20068 B13R1.1630 Nc1cc(c(cc1SCCF)F)Cl 62a_100011217306_200010992381 [0,2,0,0,0,0|1,1,0]=4 20069 B13R1.1630 Nc1cc(c(cc1SCCF)F)Cl 62a_200010992381_100011217306 [0,2,0,0,0,0|1,1,0]=4 20070 B13R1.1630 Nc1cc(c(cc1SCCO)Br)F 62a_100000211926_100010888672 [0,2,0,0,0,0|0,2,0]=4 20071 B13R1.1630 Nc1cc(c(cc1SCCO)Br)F 62a_100010888672_100000211926 [0,2,0,0,0,0|0,2,0]=4 20072 B13R1.1630 Nc1cc(c(cc1SCCO)Cl)Cl 62a_100000211926_200011093942 [0,2,0,0,0,0|0,1,0]=3 20073 B13R1.1630 Nc1cc(c(cc1SCCO)Cl)Cl 62a_200011093942_100000211926 [0,2,0,0,0,0|0,1,0]=3 20074 B13R1.1630 Nc1cc(c(cc1SCCO)Cl)F 62a_100000211926_100010892166 [0,2,0,0,0,0|0,2,0]=4 20075 B13R1.1630 Nc1cc(c(cc1SCCO)Cl)F 62a_100010892166_100000211926 [0,2,0,0,0,0|0,2,0]=4 20076 B13R1.1630 Nc1cc(c(cc1SCCO)F)Br 62a_100000211926_200021016574 [0,2,0,0,0,0|0,2,0]=4 20077 B13R1.1630 Nc1cc(c(cc1SCCO)F)Br 62a_200021016574_100000211926 [0,2,0,0,0,0|0,2,0]=4 20078 B13R1.1630 Nc1cc(c(cc1SCCO)F)Cl 62a_100000211926_200010992381 [0,2,0,0,0,0|0,1,0]=3 20079 B13R1.1630 Nc1cc(c(cc1SCCO)F)Cl 62a_200010992381_100000211926 [0,2,0,0,0,0|0,1,0]=3 20080 B13R1.1630 Nc1cc(c(cc1SCCO)F)F 62a_100000211926_100000765032 [0,2,0,0,0,0|0,2,0]=4 20081 B13R1.1630 Nc1cc(c(cc1SCCO)F)F 62a_100000765032_100000211926 [0,2,0,0,0,0|0,2,0]=4 20082 B13R1.1630 Nc1nc(c(cc1OCCF)Br)Cl 34a_100010136811_100011217306 [0,2,0,0,0,0|2,0,0]=4 20083 B13R1.1630 Nc1nc(c(cc1OCCF)Br)Cl 7a_100010136811_100011217306 [0,2,0,0,0,0|2,0,0]=4 20084 B13R1.1630 Nc1nc(c(cc1OCCO)Br)Cl 34a_100010136811_100000211926 [0,2,0,0,0,0|1,0,0]=3 20085 B13R1.1630 Nc1nc(c(cc1OCCO)Br)Cl 7a_100010136811_100000211926 [0,2,0,0,0,0|1,0,0]=3 20086 B13R1.1630 Nc1nc(c(cc1SCCO)Br)Cl 62a_100000211926_100010270345 [0,2,0,0,0,0|1,1,0]=4 20087 B13R1.1630 Nc1nc(c(cc1SCCO)Br)Cl 62a_100010270345_100000211926 [0,2,0,0,0,0|1,1,0]=4 20088 B13R1.1630 O=CCOc1cc(c(cc1Cl)Cl)Br 34a_100010203734_200009817547 [0,2,0,0,0,0|0,0,2]=4 20089 B13R1.1630 O=CCOc1cc(c(cc1Cl)Cl)Br 7a_100010203734_200015260668 [0,2,0,0,0,0|0,0,2]=4 20090 B13R1.1630 O=CCOc1cc(c(cc1Cl)Cl)Cl 34a_100000211312_200009817547 [0,2,0,0,0,0|0,0,2]=4 20091 B13R1.1630 O=CCOc1cc(c(cc1Cl)Cl)Cl 7a_100000211312_200015260668 [0,2,0,0,0,0|0,0,2]=4 20092 B13R1.1630 OCCNc1cc(c(cc1Br)Br)Br 34a_100009998182_100000211926 [0,2,0,0,0,0|1,1,0]=4 20093 B13R1.1630 OCCNc1cc(c(cc1Br)Br)Br 7a_100009998182_100000211926 [0,2,0,0,0,0|1,1,0]=4 20094 B13R1.1630 OCCNc1cc(c(cc1Br)Br)F 34a_100010212202_100000211926 [0,2,0,0,0,0|1,1,0]=4 20095 B13R1.1630 OCCNc1cc(c(cc1Br)Br)F 7a_100010212202_100000211926 [0,2,0,0,0,0|1,1,0]=4 20096 B13R1.1630 OCCNc1cc(c(cc1Br)Cl)F 34a_100010254744_100000211926 [0,2,0,0,0,0|1,0,0]=3 20097 B13R1.1630 OCCNc1cc(c(cc1Br)Cl)F 7a_100010254744_100000211926 [0,2,0,0,0,0|1,0,0]=3 20098 B13R1.1630 OCCNc1cc(c(cc1Br)F)Br 34a_100010131408_100000211926 [0,2,0,0,0,0|1,1,0]=4 20099 B13R1.1630 OCCNc1cc(c(cc1Br)F)Br 7a_100010131408_100000211926 [0,2,0,0,0,0|1,1,0]=4 20100 B13R1.1630 OCCNc1cc(c(cc1Br)F)Cl 34a_100009817155_100000211926 [0,2,0,0,0,0|1,1,0]=4 20101 B13R1.1630 OCCNc1cc(c(cc1Br)F)Cl 7a_100009817155_100000211926 [0,2,0,0,0,0|1,1,0]=4 20102 B13R1.1630 OCCNc1cc(c(cc1Br)F)F 34a_100000690790_100000211926 [0,2,0,0,0,0|1,1,0]=4 20103 B13R1.1630 OCCNc1cc(c(cc1Br)F)F 7a_100000690790_100000211926 [0,2,0,0,0,0|1,1,0]=4 20104 B13R1.1630 OCCNc1cc(c(cc1Br)O)Br 34a_100011080774_100000211926 [0,2,0,0,0,0|2,0,0]=4 20105 B13R1.1630 OCCNc1cc(c(cc1Br)O)Br 7a_100011080774_100000211926 [0,2,0,0,0,0|2,0,0]=4 20106 B13R1.1630 OCCNc1cc(c(cc1Cl)Br)Cl 34a_100000246133_100000211926 [0,2,0,0,0,0|1,1,0]=4 20107 B13R1.1630 OCCNc1cc(c(cc1Cl)Br)Cl 7a_100000246133_100000211926 [0,2,0,0,0,0|1,1,0]=4 20108 B13R1.1630 OCCNc1cc(c(cc1Cl)Br)F 34a_100000688864_100000211926 [0,2,0,0,0,0|1,1,0]=4 20109 B13R1.1630 OCCNc1cc(c(cc1Cl)Br)F 7a_100000688864_100000211926 [0,2,0,0,0,0|1,1,0]=4 20110 B13R1.1630 OCCNc1cc(c(cc1Cl)Cl)Br 34a_200012360370_100000211926 [0,2,0,0,0,0|1,0,0]=3 20111 B13R1.1630 OCCNc1cc(c(cc1Cl)Cl)Br 7a_200012360370_100000211926 [0,2,0,0,0,0|1,0,0]=3 20112 B13R1.1630 OCCNc1cc(c(cc1Cl)Cl)Cl 34a_100000211015_100000211926 [0,2,0,0,0,0|1,0,0]=3 20113 B13R1.1630 OCCNc1cc(c(cc1Cl)Cl)Cl 7a_100000211015_100000211926 [0,2,0,0,0,0|1,0,0]=3 20114 B13R1.1630 OCCNc1cc(c(cc1Cl)Cl)F 34a_100012017157_100000211926 [0,2,0,0,0,0|1,0,0]=3 20115 B13R1.1630 OCCNc1cc(c(cc1Cl)Cl)F 7a_100012017157_100000211926 [0,2,0,0,0,0|1,0,0]=3 20116 B13R1.1630 OCCNc1cc(c(cc1Cl)Cl)I 7a_100016224655_100000211926 [0,2,0,0,0,0|1,0,0]=3 20117 B13R1.1630 OCCNc1cc(c(cc1Cl)Cl)O 34a_100000037174_100000211926 [0,2,0,0,0,0|1,0,0]=3 20118 B13R1.1630 OCCNc1cc(c(cc1Cl)Cl)O 7a_100000037174_100000211926 [0,2,0,0,0,0|1,0,0]=3 20119 B13R1.1630 OCCNc1cc(c(cc1Cl)F)Br 34a_100000685351_100000211926 [0,2,0,0,0,0|1,1,0]=4 20120 B13R1.1630 OCCNc1cc(c(cc1Cl)F)Br 7a_100000685351_100000211926 [0,2,0,0,0,0|1,1,0]=4 20121 B13R1.1630 OCCNc1cc(c(cc1Cl)F)Cl 34a_100000085081_100000211926 [0,2,0,0,0,0|1,1,0]=4 20122 B13R1.1630 OCCNc1cc(c(cc1Cl)F)Cl 7a_100000085081_100000211926 [0,2,0,0,0,0|1,1,0]=4 20123 B13R1.1630 OCCNc1cc(c(cc1Cl)F)F 34a_100000766337_100000211926 [0,2,0,0,0,0|1,1,0]=4 20124 B13R1.1630 OCCNc1cc(c(cc1Cl)F)F 7a_100000766337_100000211926 [0,2,0,0,0,0|1,1,0]=4 20125 B13R1.1630 OCCNc1cc(c(cc1Cl)O)Cl 34a_100012000071_100000211926 [0,2,0,0,0,0|2,0,0]=4 20126 B13R1.1630 OCCNc1cc(c(cc1Cl)O)Cl 7a_100012000071_100000211926 [0,2,0,0,0,0|2,0,0]=4 20127 B13R1.1630 OCCNc1cc(c(cc1Cl)O)F 34a_100009886023_100000211926 [0,2,0,0,0,0|2,0,0]=4 20128 B13R1.1630 OCCNc1cc(c(cc1Cl)O)F 7a_100009886023_100000211926 [0,2,0,0,0,0|2,0,0]=4 20129 B13R1.1630 OCCNc1cc(c(cc1F)Br)Br 34a_200010212207_100000211926 [0,2,0,0,0,0|1,1,0]=4 20130 B13R1.1630 OCCNc1cc(c(cc1F)Br)Br 7a_200010212207_100000211926 [0,2,0,0,0,0|1,1,0]=4 20131 B13R1.1630 OCCNc1cc(c(cc1F)Br)Cl 34a_100012356688_100000211926 [0,2,0,0,0,0|1,1,0]=4 20132 B13R1.1630 OCCNc1cc(c(cc1F)Br)Cl 7a_100012356688_100000211926 [0,2,0,0,0,0|1,1,0]=4 20133 B13R1.1630 OCCNc1cc(c(cc1F)Br)F 2230a_100000690247_100000211926 [0,2,0,0,0,0|1,1,0]=4 20134 B13R1.1630 OCCNc1cc(c(cc1F)Br)F 34a_100000690247_100000211926 [0,2,0,0,0,0|1,1,0]=4 20135 B13R1.1630 OCCNc1cc(c(cc1F)Br)F 7a_100000690247_100000211926 [0,2,0,0,0,0|1,1,0]=4 20136 B13R1.1630 OCCNc1cc(c(cc1F)Cl)Br 34a_100013023876_100000211926 [0,2,0,0,0,0|1,0,0]=3 20137 B13R1.1630 OCCNc1cc(c(cc1F)Cl)Br 7a_100013023876_100000211926 [0,2,0,0,0,0|1,0,0]=3 20138 B13R1.1630 OCCNc1cc(c(cc1F)Cl)Cl 34a_100000724578_100000211926 [0,2,0,0,0,0|1,0,0]=3 20139 B13R1.1630 OCCNc1cc(c(cc1F)Cl)Cl 7a_100000724578_100000211926 [0,2,0,0,0,0|1,0,0]=3 20140 B13R1.1630 OCCNc1cc(c(cc1F)Cl)F 34a_100011998097_100000211926 [0,2,0,0,0,0|1,0,0]=3 20141 B13R1.1630 OCCNc1cc(c(cc1F)Cl)F 7a_100011998097_100000211926 [0,2,0,0,0,0|1,0,0]=3 20142 B13R1.1630 OCCNc1cc(c(cc1F)Cl)O 34a_100000042052_100000211926 [0,2,0,0,0,0|1,0,0]=3 20143 B13R1.1630 OCCNc1cc(c(cc1F)Cl)O 7a_100000042052_100000211926 [0,2,0,0,0,0|1,0,0]=3 20144 B13R1.1630 OCCNc1cc(c(cc1F)F)Br 2230a_100000700208_100000211926 [0,2,0,0,0,0|1,1,0]=4 20145 B13R1.1630 OCCNc1cc(c(cc1F)F)Br 34a_100000700208_100000211926 [0,2,0,0,0,0|1,1,0]=4 20146 B13R1.1630 OCCNc1cc(c(cc1F)F)Br 7a_100000700208_100000211926 [0,2,0,0,0,0|1,1,0]=4 20147 B13R1.1630 OCCNc1cc(c(cc1F)F)Cl 2230a_100011998096_100000211926 [0,2,0,0,0,0|1,1,0]=4 20148 B13R1.1630 OCCNc1cc(c(cc1F)F)Cl 34a_100011998096_100000211926 [0,2,0,0,0,0|1,1,0]=4 20149 B13R1.1630 OCCNc1cc(c(cc1F)F)Cl 7a_100011998096_100000211926 [0,2,0,0,0,0|1,1,0]=4 20150 B13R1.1630 OCCNc1cc(c(cc1F)F)F 2230a_100000750162_100000211926 [0,2,0,0,0,0|1,1,0]=4 20151 B13R1.1630 OCCNc1cc(c(cc1F)F)F 34a_100000750162_100000211926 [0,2,0,0,0,0|1,1,0]=4 20152 B13R1.1630 OCCNc1cc(c(cc1F)F)F 7a_100000750162_100000211926 [0,2,0,0,0,0|1,1,0]=4 20153 B13R1.1630 OCCNc1cc(c(cc1F)F)O 34a_100011219470_100000211926 [0,2,0,0,0,0|1,1,0]=4 20154 B13R1.1630 OCCNc1cc(c(cc1F)F)O 7a_100011219470_100000211926 [0,2,0,0,0,0|1,1,0]=4 20155 B13R1.1630 OCCNc1cc(c(cc1F)I)F 34a_100010185194_100000211926 [0,2,0,0,0,0|1,1,0]=4 20156 B13R1.1630 OCCNc1cc(c(cc1F)I)F 7a_100010185194_100000211926 [0,2,0,0,0,0|1,1,0]=4 20157 B13R1.1630 OCCNc1cc(c(cc1F)O)F 34a_100020635945_100000211926 [0,2,0,0,0,0|2,0,0]=4 20158 B13R1.1630 OCCNc1cc(c(cc1F)O)F 7a_100020635945_100000211926 [0,2,0,0,0,0|2,0,0]=4 20159 B13R1.1630 OCCNc1cc(c(cc1I)Br)F 34a_100010888672_100000211926 [0,2,0,0,0,0|1,1,0]=4 20160 B13R1.1630 OCCNc1cc(c(cc1I)Br)F 7a_100010888672_100000211926 [0,2,0,0,0,0|1,1,0]=4 20161 B13R1.1630 OCCNc1cc(c(cc1I)Cl)Cl 7a_200011093942_100000211926 [0,2,0,0,0,0|1,0,0]=3 20162 B13R1.1630 OCCNc1cc(c(cc1I)Cl)F 34a_100010892166_100000211926 [0,2,0,0,0,0|1,0,0]=3 20163 B13R1.1630 OCCNc1cc(c(cc1I)Cl)F 7a_100010892166_100000211926 [0,2,0,0,0,0|1,0,0]=3 20164 B13R1.1630 OCCNc1cc(c(cc1I)F)Br 34a_200021016574_100000211926 [0,2,0,0,0,0|1,1,0]=4 20165 B13R1.1630 OCCNc1cc(c(cc1I)F)Br 7a_200021016574_100000211926 [0,2,0,0,0,0|1,1,0]=4 20166 B13R1.1630 OCCNc1cc(c(cc1I)F)Cl 34a_200010992381_100000211926 [0,2,0,0,0,0|1,1,0]=4 20167 B13R1.1630 OCCNc1cc(c(cc1I)F)Cl 7a_200010992381_100000211926 [0,2,0,0,0,0|1,1,0]=4 20168 B13R1.1630 OCCNc1cc(c(cc1I)F)F 34a_100000765032_100000211926 [0,2,0,0,0,0|1,1,0]=4 20169 B13R1.1630 OCCNc1cc(c(cc1I)F)F 7a_100000765032_100000211926 [0,2,0,0,0,0|1,1,0]=4 20170 B13R1.1630 OCCNc1cc(c(cc1O)Br)Br 7a_200010781931_100000211926 [0,2,0,0,0,0|1,1,0]=4 20171 B13R1.1630 OCCNc1cc(c(cc1O)Br)F 34a_100013038943_100000211926 [0,2,0,0,0,0|1,1,0]=4 20172 B13R1.1630 OCCNc1cc(c(cc1O)Br)F 7a_100013038943_100000211926 [0,2,0,0,0,0|1,1,0]=4 20173 B13R1.1630 OCCNc1cc(c(cc1O)Cl)Br 34a_100013488937_100000211926 [0,2,0,0,0,0|1,0,0]=3 20174 B13R1.1630 OCCNc1cc(c(cc1O)Cl)Br 7a_100013488937_100000211926 [0,2,0,0,0,0|1,0,0]=3 20175 B13R1.1630 OCCNc1cc(c(cc1O)Cl)Cl 34a_100000696747_100000211926 [0,2,0,0,0,0|1,0,0]=3 20176 B13R1.1630 OCCNc1cc(c(cc1O)Cl)Cl 7a_100000696747_100000211926 [0,2,0,0,0,0|1,0,0]=3 20177 B13R1.1630 OCCNc1cc(c(cc1O)F)Br 34a_100012359894_100000211926 [0,2,0,0,0,0|1,1,0]=4 20178 B13R1.1630 OCCNc1cc(c(cc1O)F)Br 7a_100012359894_100000211926 [0,2,0,0,0,0|1,1,0]=4 20179 B13R1.1630 OCCNc1cc(c(cc1O)F)F 2230a_106722365970_100000211926 [0,2,0,0,0,0|1,1,0]=4 20180 B13R1.1630 OCCNc1cc(c(cc1O)F)F 34a_106722365970_100000211926 [0,2,0,0,0,0|1,1,0]=4 20181 B13R1.1630 OCCNc1cc(c(cc1O)F)F 7a_106722365970_100000211926 [0,2,0,0,0,0|1,1,0]=4 20182 B13R1.1630 OCCOc1cc(c(cc1Br)F)F 34a_100009813768_100000211926 [0,2,0,0,0,0|0,1,0]=3 20183 B13R1.1630 OCCOc1cc(c(cc1Br)F)F 7a_100009813768_100000211926 [0,2,0,0,0,0|0,1,0]=3 20184 B13R1.1630 OCCOc1cc(c(cc1Cl)Br)Cl 34a_100000719705_100000211926 [0,2,0,0,0,0|0,1,0]=3 20185 B13R1.1630 OCCOc1cc(c(cc1Cl)Br)Cl 7a_100000719705_100000211926 [0,2,0,0,0,0|0,1,0]=3 20186 B13R1.1630 OCCOc1cc(c(cc1Cl)Br)F 34a_100000726166_100000211926 [0,2,0,0,0,0|0,1,0]=3 20187 B13R1.1630 OCCOc1cc(c(cc1Cl)Br)F 7a_100000726166_100000211926 [0,2,0,0,0,0|0,1,0]=3 20188 B13R1.1630 OCCOc1cc(c(cc1Cl)Br)I 34a_100021297947_100000211926 [0,2,0,0,0,0|0,1,0]=3 20189 B13R1.1630 OCCOc1cc(c(cc1Cl)Br)I 7a_100021297947_100000211926 [0,2,0,0,0,0|0,1,0]=3 20190 B13R1.1630 OCCOc1cc(c(cc1Cl)Cl)Br 34a_100010203734_100000211926 [0,2,0,0,0,0|0,0,0]=2 20191 B13R1.1630 OCCOc1cc(c(cc1Cl)Cl)Br 7a_100010203734_100000211926 [0,2,0,0,0,0|0,0,0]=2 20192 B13R1.1630 OCCOc1cc(c(cc1Cl)Cl)Cl 34a_100000211312_100000211926 [0,2,0,0,0,0|0,0,0]=2 20193 B13R1.1630 OCCOc1cc(c(cc1Cl)Cl)Cl 7a_100000211312_100000211926 [0,2,0,0,0,0|0,0,0]=2 20194 B13R1.1630 OCCOc1cc(c(cc1Cl)F)Br 34a_100010189047_100000211926 [0,2,0,0,0,0|0,1,0]=3 20195 B13R1.1630 OCCOc1cc(c(cc1Cl)F)Br 7a_100010189047_100000211926 [0,2,0,0,0,0|0,1,0]=3 20196 B13R1.1630 OCCOc1cc(c(cc1Cl)F)F 34a_100009848785_100000211926 [0,2,0,0,0,0|0,1,0]=3 20197 B13R1.1630 OCCOc1cc(c(cc1Cl)F)F 7a_100009848785_100000211926 [0,2,0,0,0,0|0,1,0]=3 20198 B13R1.1630 OCCOc1cc(c(cc1Cl)F)I 34a_100010735246_100000211926 [0,2,0,0,0,0|0,1,0]=3 20199 B13R1.1630 OCCOc1cc(c(cc1Cl)F)I 7a_100010735246_100000211926 [0,2,0,0,0,0|0,1,0]=3 20200 B13R1.1630 OCCOc1cc(c(cc1F)Br)F 34a_100011830439_100000211926 [0,2,0,0,0,0|0,1,0]=3 20201 B13R1.1630 OCCOc1cc(c(cc1F)Br)F 7a_100011830439_100000211926 [0,2,0,0,0,0|0,1,0]=3 20202 B13R1.1630 OCCOc1cc(c(cc1F)F)Br 34a_100012457948_100000211926 [0,2,0,0,0,0|0,1,0]=3 20203 B13R1.1630 OCCOc1cc(c(cc1F)F)Br 7a_100012457948_100000211926 [0,2,0,0,0,0|0,1,0]=3 20204 B13R1.1630 OCCOc1cc(c(cc1F)F)F 34a_100000237555_100000211926 [0,2,0,0,0,0|0,1,0]=3 20205 B13R1.1630 OCCOc1cc(c(cc1F)F)F 7a_100000237555_100000211926 [0,2,0,0,0,0|0,1,0]=3 20206 B13R1.1630 OCCOc1cc(c(cc1F)F)I 34a_100015789030_100000211926 [0,2,0,0,0,0|0,1,0]=3 20207 B13R1.1630 OCCOc1cc(c(cc1F)F)I 7a_100015789030_100000211926 [0,2,0,0,0,0|0,1,0]=3 20208 B13R1.1630 OCCOc1cc(c(cc1I)F)F 34a_100010749349_100000211926 [0,2,0,0,0,0|0,1,0]=3 20209 B13R1.1630 OCCOc1cc(c(cc1I)F)F 7a_100010749349_100000211926 [0,2,0,0,0,0|0,1,0]=3 20210 B13R1.1630 OCCOc1nc(c(cc1Cl)Cl)Cl 34a_100011933978_100000211926 [0,2,0,0,0,0|1,0,0]=3 20211 B13R1.1630 OCCOc1nc(c(cc1F)F)F 34a_100011934363_100000211926 [0,2,0,0,0,0|1,1,0]=4 20212 B13R1.1630 OCCSc1cc(c(cc1Br)Br)Br 62a_100000211926_100010151546 [0,2,0,0,0,0|0,2,0]=4 20213 B13R1.1630 OCCSc1cc(c(cc1Br)Br)Br 62a_100010151546_100000211926 [0,2,0,0,0,0|0,2,0]=4 20214 B13R1.1630 OCCSc1cc(c(cc1Br)Br)F 62a_100000211926_200010212206 [0,2,0,0,0,0|0,2,0]=4 20215 B13R1.1630 OCCSc1cc(c(cc1Br)Br)F 62a_200010212206_100000211926 [0,2,0,0,0,0|0,2,0]=4 20216 B13R1.1630 OCCSc1cc(c(cc1Br)Cl)F 62a_100000211926_100010254745 [0,2,0,0,0,0|0,1,0]=3 20217 B13R1.1630 OCCSc1cc(c(cc1Br)Cl)F 62a_100010254745_100000211926 [0,2,0,0,0,0|0,1,0]=3 20218 B13R1.1630 OCCSc1cc(c(cc1Br)Cl)O 62a_100000211926_100021297947 [0,2,0,0,0,0|0,1,0]=3 20219 B13R1.1630 OCCSc1cc(c(cc1Br)Cl)O 62a_100021297947_100000211926 [0,2,0,0,0,0|0,1,0]=3 20220 B13R1.1630 OCCSc1cc(c(cc1Br)F)F 62a_100000211926_100010259568 [0,2,0,0,0,0|0,2,0]=4 20221 B13R1.1630 OCCSc1cc(c(cc1Br)F)F 62a_100010259568_100000211926 [0,2,0,0,0,0|0,2,0]=4 20222 B13R1.1630 OCCSc1cc(c(cc1Cl)Br)Cl 62a_100000211926_200010244590 [0,2,0,0,0,0|0,2,0]=4 20223 B13R1.1630 OCCSc1cc(c(cc1Cl)Br)Cl 62a_200010244590_100000211926 [0,2,0,0,0,0|0,2,0]=4 20224 B13R1.1630 OCCSc1cc(c(cc1Cl)Br)F 62a_100000211926_100010212230 [0,2,0,0,0,0|0,2,0]=4 20225 B13R1.1630 OCCSc1cc(c(cc1Cl)Br)F 62a_100010212230_100000211926 [0,2,0,0,0,0|0,2,0]=4 20226 B13R1.1630 OCCSc1cc(c(cc1Cl)Cl)Cl 62a_100000211926_200011216203 [0,2,0,0,0,0|0,1,0]=3 20227 B13R1.1630 OCCSc1cc(c(cc1Cl)Cl)Cl 62a_200011216203_100000211926 [0,2,0,0,0,0|0,1,0]=3 20228 B13R1.1630 OCCSc1cc(c(cc1Cl)F)F 62a_100000211926_100012349977 [0,2,0,0,0,0|0,2,0]=4 20229 B13R1.1630 OCCSc1cc(c(cc1Cl)F)F 62a_100012349977_100000211926 [0,2,0,0,0,0|0,2,0]=4 20230 B13R1.1630 OCCSc1cc(c(cc1F)Br)Br 62a_100000211926_200010212210 [0,2,0,0,0,0|0,2,0]=4 20231 B13R1.1630 OCCSc1cc(c(cc1F)Br)Br 62a_200010212210_100000211926 [0,2,0,0,0,0|0,2,0]=4 20232 B13R1.1630 OCCSc1cc(c(cc1F)Br)F 62a_100000211926_100011356857 [0,2,0,0,0,0|0,2,0]=4 20233 B13R1.1630 OCCSc1cc(c(cc1F)Br)F 62a_100011356857_100000211926 [0,2,0,0,0,0|0,2,0]=4 20234 B13R1.1630 OCCSc1cc(c(cc1F)Cl)F 62a_100000211926_100010142863 [0,2,0,0,0,0|0,1,0]=3 20235 B13R1.1630 OCCSc1cc(c(cc1F)Cl)F 62a_100010142863_100000211926 [0,2,0,0,0,0|0,1,0]=3 20236 B13R1.1630 OCCSc1cc(c(cc1F)Cl)O 62a_100000211926_100010735246 [0,2,0,0,0,0|0,1,0]=3 20237 B13R1.1630 OCCSc1cc(c(cc1F)Cl)O 62a_100010735246_100000211926 [0,2,0,0,0,0|0,1,0]=3 20238 B13R1.1630 OCCSc1cc(c(cc1F)F)Br 62a_100000211926_100011356914 [0,2,0,0,0,0|0,2,0]=4 20239 B13R1.1630 OCCSc1cc(c(cc1F)F)Br 62a_100011356914_100000211926 [0,2,0,0,0,0|0,2,0]=4 20240 B13R1.1630 OCCSc1cc(c(cc1F)F)F 62a_100000211926_100011756838 [0,2,0,0,0,0|0,2,0]=4 20241 B13R1.1630 OCCSc1cc(c(cc1F)F)F 62a_100011756838_100000211926 [0,2,0,0,0,0|0,2,0]=4 20242 B13R1.1630 OCCSc1cc(c(cc1F)F)O 62a_100000211926_100012457948 [0,2,0,0,0,0|0,2,0]=4 20243 B13R1.1630 OCCSc1cc(c(cc1F)F)O 62a_100012457948_100000211926 [0,2,0,0,0,0|0,2,0]=4 20244 B13R1.1630 OCCSc1cc(c(cc1F)O)F 62a_100000211926_100011830439 [0,2,0,0,0,0|1,1,0]=4 20245 B13R1.1630 OCCSc1cc(c(cc1F)O)F 62a_100011830439_100000211926 [0,2,0,0,0,0|1,1,0]=4 20246 B13R1.1630 OCCSc1cc(c(cc1O)F)F 62a_100000211926_100009813768 [0,2,0,0,0,0|0,2,0]=4 20247 B13R1.1630 OCCSc1cc(c(cc1O)F)F 62a_100009813768_100000211926 [0,2,0,0,0,0|0,2,0]=4 20248 B13R1.1630 Oc1cc(c(cc1Cl)Br)SCCF 62a_100011217306_100021297947 [0,2,0,0,0,0|1,1,0]=4 20249 B13R1.1630 Oc1cc(c(cc1Cl)Br)SCCF 62a_100021297947_100011217306 [0,2,0,0,0,0|1,1,0]=4 20250 B13R1.1630 Oc1cc(c(cc1Cl)Cl)NCCF 34a_100000037174_100011217306 [0,2,0,0,0,0|2,0,0]=4 20251 B13R1.1630 Oc1cc(c(cc1Cl)Cl)NCCF 7a_100000037174_100011217306 [0,2,0,0,0,0|2,0,0]=4 20252 B13R1.1630 Oc1cc(c(cc1Cl)F)NCCF 34a_100000042052_100011217306 [0,2,0,0,0,0|2,0,0]=4 20253 B13R1.1630 Oc1cc(c(cc1Cl)F)NCCF 7a_100000042052_100011217306 [0,2,0,0,0,0|2,0,0]=4 20254 B13R1.1630 Oc1cc(c(cc1Cl)F)SCCF 62a_100010735246_100011217306 [0,2,0,0,0,0|1,1,0]=4 20255 B13R1.1630 Oc1cc(c(cc1Cl)F)SCCF 62a_100011217306_100010735246 [0,2,0,0,0,0|1,1,0]=4 20256 B13R1.1630 Oc1cc(c(cc1NCCF)Br)Cl 34a_100013488937_100011217306 [0,2,0,0,0,0|2,0,0]=4 20257 B13R1.1630 Oc1cc(c(cc1NCCF)Br)Cl 7a_100013488937_100011217306 [0,2,0,0,0,0|2,0,0]=4 20258 B13R1.1630 Oc1cc(c(cc1NCCF)Cl)Cl 34a_100000696747_100011217306 [0,2,0,0,0,0|2,0,0]=4 20259 B13R1.1630 Oc1cc(c(cc1NCCF)Cl)Cl 7a_100000696747_100011217306 [0,2,0,0,0,0|2,0,0]=4 20260 B13R1.3518 C#CCOc1ccc(c(c1Cl)Cl)Cl 34a_200011215298_100000184674 [0,2,0,0,0,0|1,0,1]=4 20261 B13R1.3518 C#CCOc1ccc(c(c1Cl)Cl)Cl 7a_200011215298_100000038162 [0,2,0,0,0,0|1,0,1]=4 20262 B13R1.3518 C#CCOc1ccc(c(c1Cl)N)Cl 34a_100016988457_100000184674 [0,2,0,0,0,0|1,0,1]=4 20263 B13R1.3518 C#CCOc1ccc(c(c1Cl)N)Cl 7a_100016988457_100000038162 [0,2,0,0,0,0|1,0,1]=4 20264 B13R1.3518 C=CCOc1ccc(c(c1Cl)Cl)Cl 34a_200011215298_100015514636 [0,2,0,0,0,0|1,0,1]=4 20265 B13R1.3518 C=CCOc1ccc(c(c1Cl)Cl)Cl 7a_200011215298_100015514636 [0,2,0,0,0,0|1,0,1]=4 20266 B13R1.3518 C=CCOc1ccc(c(c1Cl)N)Cl 34a_100016988457_100015514636 [0,2,0,0,0,0|1,0,1]=4 20267 B13R1.3518 C=CCOc1ccc(c(c1Cl)N)Cl 7a_100016988457_100015514636 [0,2,0,0,0,0|1,0,1]=4 20268 B13R1.3518 CCCCc1ccc(c(c1Cl)C)Cl 271570a_100020621405_100010730154 [0,2,0,0,0,0|2,0,0]=4 20269 B13R1.3518 CCCNc1ccc(c(c1Br)Cl)Cl 34a_100021501213_100000210303 [0,2,0,0,0,0|2,0,0]=4 20270 B13R1.3518 CCCNc1ccc(c(c1C)Br)Cl 2230a_100016073598_100000210303 [0,2,0,0,0,0|2,0,0]=4 20271 B13R1.3518 CCCNc1ccc(c(c1C)Br)Cl 34a_100016073598_100000210303 [0,2,0,0,0,0|2,0,0]=4 20272 B13R1.3518 CCCNc1ccc(c(c1C)Br)Cl 7a_100016073598_100000210303 [0,2,0,0,0,0|2,0,0]=4 20273 B13R1.3518 CCCNc1ccc(c(c1C)Cl)Cl 2230a_114948340058_100000210303 [0,2,0,0,0,0|2,0,0]=4 20274 B13R1.3518 CCCNc1ccc(c(c1C)Cl)Cl 34a_114948340058_100000210303 [0,2,0,0,0,0|2,0,0]=4 20275 B13R1.3518 CCCNc1ccc(c(c1C)Cl)Cl 7a_114948340058_100000210303 [0,2,0,0,0,0|2,0,0]=4 20276 B13R1.3518 CCCNc1ccc(c(c1Cl)C)Cl 34a_100011935240_100000210303 [0,2,0,0,0,0|2,0,0]=4 20277 B13R1.3518 CCCNc1ccc(c(c1Cl)C)Cl 7a_100011935240_100000210303 [0,2,0,0,0,0|2,0,0]=4 20278 B13R1.3518 CCCNc1ccc(c(c1Cl)Cl)Cl 34a_200000033989_100000210303 [0,2,0,0,0,0|2,0,0]=4 20279 B13R1.3518 CCCNc1ccc(c(c1Cl)F)Cl 2230a_100000069711_100000210303 [0,2,0,0,0,0|2,0,0]=4 20280 B13R1.3518 CCCNc1ccc(c(c1Cl)F)Cl 34a_100000069711_100000210303 [0,2,0,0,0,0|2,0,0]=4 20281 B13R1.3518 CCCNc1ccc(c(c1Cl)F)Cl 7a_100000069711_100000210303 [0,2,0,0,0,0|2,0,0]=4 20282 B13R1.3518 CCCNc1ccc(c(c1F)Cl)Cl 2230a_100000036759_100000210303 [0,2,0,0,0,0|2,0,0]=4 20283 B13R1.3518 CCCNc1ccc(c(c1F)Cl)Cl 34a_100000036759_100000210303 [0,2,0,0,0,0|2,0,0]=4 20284 B13R1.3518 CCCNc1ccc(c(c1F)F)Cl 2230a_100000088996_100000210303 [0,2,0,0,0,0|2,0,0]=4 20285 B13R1.3518 CCCNc1ccc(c(c1F)F)Cl 34a_100000088996_100000210303 [0,2,0,0,0,0|2,0,0]=4 20286 B13R1.3518 CCCNc1ccc(c(c1F)F)Cl 7a_100000088996_100000210303 [0,2,0,0,0,0|2,0,0]=4 20287 B13R1.3518 CCCNc1ccc(c(c1I)Cl)Cl 34a_200011093878_100000210303 [0,2,0,0,0,0|2,0,0]=4 20288 B13R1.3518 CCCNc1ccc(c(c1I)F)Cl 34a_100010134325_100000210303 [0,2,0,0,0,0|2,0,0]=4 20289 B13R1.3518 CCCOc1ccc(c(c1C)Br)C 34a_100010659238_100000210303 [0,2,0,0,0,0|2,0,0]=4 20290 B13R1.3518 CCCOc1ccc(c(c1C)Br)C 7a_100010659238_100000210303 [0,2,0,0,0,0|2,0,0]=4 20291 B13R1.3518 CCCOc1ccc(c(c1C)C)Br 34a_100012353674_100000210303 [0,2,0,0,0,0|1,1,0]=4 20292 B13R1.3518 CCCOc1ccc(c(c1C)C)Br 7a_100012353674_100000210303 [0,2,0,0,0,0|1,1,0]=4 20293 B13R1.3518 CCCOc1ccc(c(c1C)C)F 34a_100009847123_100000210303 [0,2,0,0,0,0|1,1,0]=4 20294 B13R1.3518 CCCOc1ccc(c(c1C)C)F 7a_100009847123_100000210303 [0,2,0,0,0,0|1,1,0]=4 20295 B13R1.3518 CCCOc1ccc(c(c1C)C)I 34a_100011356951_100000210303 [0,2,0,0,0,0|1,1,0]=4 20296 B13R1.3518 CCCOc1ccc(c(c1C)C)I 7a_100011356951_100000210303 [0,2,0,0,0,0|1,1,0]=4 20297 B13R1.3518 CCCOc1ccc(c(c1C)C)N 34a_200011216674_100000210303 [0,2,0,0,0,0|2,0,0]=4 20298 B13R1.3518 CCCOc1ccc(c(c1C)C)N 7a_200011216674_100000210303 [0,2,0,0,0,0|2,0,0]=4 20299 B13R1.3518 CCCOc1ccc(c(c1C)F)Br 34a_100010390934_100000210303 [0,2,0,0,0,0|1,1,0]=4 20300 B13R1.3518 CCCOc1ccc(c(c1C)F)Br 7a_100010390934_100000210303 [0,2,0,0,0,0|1,1,0]=4 20301 B13R1.3518 CCCOc1ccc(c(c1C)F)N 34a_200000126710_100000210303 [0,2,0,0,0,0|2,0,0]=4 20302 B13R1.3518 CCCOc1ccc(c(c1C)F)N 7a_200000126710_100000210303 [0,2,0,0,0,0|2,0,0]=4 20303 B13R1.3518 CCCOc1ccc(c(c1Cl)C)Br 34a_100021574527_100000210303 [0,2,0,0,0,0|1,1,0]=4 20304 B13R1.3518 CCCOc1ccc(c(c1Cl)C)Br 7a_100021574527_100000210303 [0,2,0,0,0,0|1,1,0]=4 20305 B13R1.3518 CCCOc1ccc(c(c1Cl)Cl)Br 34a_100011988769_100000210303 [0,2,0,0,0,0|1,1,0]=4 20306 B13R1.3518 CCCOc1ccc(c(c1Cl)Cl)Br 7a_100011988769_100000210303 [0,2,0,0,0,0|1,1,0]=4 20307 B13R1.3518 CCCOc1ccc(c(c1Cl)Cl)Cl 34a_200011215298_100000210303 [0,2,0,0,0,0|1,0,0]=3 20308 B13R1.3518 CCCOc1ccc(c(c1Cl)Cl)Cl 7a_200011215298_100000210303 [0,2,0,0,0,0|1,0,0]=3 20309 B13R1.3518 CCCOc1ccc(c(c1Cl)Cl)N 34a_100012017499_100000210303 [0,2,0,0,0,0|2,0,0]=4 20310 B13R1.3518 CCCOc1ccc(c(c1Cl)Cl)N 7a_100012017499_100000210303 [0,2,0,0,0,0|2,0,0]=4 20311 B13R1.3518 CCCOc1ccc(c(c1Cl)F)Br 34a_100010245746_100000210303 [0,2,0,0,0,0|1,1,0]=4 20312 B13R1.3518 CCCOc1ccc(c(c1Cl)F)Br 7a_100010245746_100000210303 [0,2,0,0,0,0|1,1,0]=4 20313 B13R1.3518 CCCOc1ccc(c(c1Cl)F)N 34a_200000098347_100000210303 [0,2,0,0,0,0|2,0,0]=4 20314 B13R1.3518 CCCOc1ccc(c(c1Cl)F)N 7a_200000098347_100000210303 [0,2,0,0,0,0|2,0,0]=4 20315 B13R1.3518 CCCOc1ccc(c(c1Cl)N)Cl 34a_100016988457_100000210303 [0,2,0,0,0,0|1,0,0]=3 20316 B13R1.3518 CCCOc1ccc(c(c1Cl)N)Cl 7a_100016988457_100000210303 [0,2,0,0,0,0|1,0,0]=3 20317 B13R1.3518 CCCOc1ccc(c(c1F)F)Br 34a_100011830415_100000210303 [0,2,0,0,0,0|1,1,0]=4 20318 B13R1.3518 CCCOc1ccc(c(c1F)F)Br 7a_100011830415_100000210303 [0,2,0,0,0,0|1,1,0]=4 20319 B13R1.3518 CCCOc1ccc(c(c1F)F)C 34a_100000036877_100000210303 [0,2,0,0,0,0|2,0,0]=4 20320 B13R1.3518 CCCOc1ccc(c(c1F)F)C 7a_100000036877_100000210303 [0,2,0,0,0,0|2,0,0]=4 20321 B13R1.3518 CCCOc1ccc(c(c1F)F)F 34a_100000230025_100000210303 [0,2,0,0,0,0|1,1,0]=4 20322 B13R1.3518 CCCOc1ccc(c(c1F)F)F 7a_100000230025_100000210303 [0,2,0,0,0,0|1,1,0]=4 20323 B13R1.3518 CCCOc1ccc(c(c1F)F)I 34a_200011356956_100000210303 [0,2,0,0,0,0|1,1,0]=4 20324 B13R1.3518 CCCOc1ccc(c(c1F)F)I 7a_200011356956_100000210303 [0,2,0,0,0,0|1,1,0]=4 20325 B13R1.3518 CCCOc1ccc(c(c1F)F)N 34a_100015204651_100000210303 [0,2,0,0,0,0|2,0,0]=4 20326 B13R1.3518 CCCOc1ccc(c(c1F)F)N 7a_100015204651_100000210303 [0,2,0,0,0,0|2,0,0]=4 20327 B13R1.3518 CCCOc1ccc(c(c1N)C)Br 34a_100013039247_100000210303 [0,2,0,0,0,0|1,1,0]=4 20328 B13R1.3518 CCCOc1ccc(c(c1N)C)Br 7a_100013039247_100000210303 [0,2,0,0,0,0|1,1,0]=4 20329 B13R1.3518 CCCOc1ncc(c(c1Br)C)Cl 34a_200010175591_100000210303 [0,2,0,0,0,0|2,0,0]=4 20330 B13R1.3518 CCCOc1ncc(c(c1Cl)Cl)Cl 34a_200010273840_100000210303 [0,2,0,0,0,0|2,0,0]=4 20331 B13R1.3518 CCCSc1ccc(c(c1Cl)C)Cl 62a_100000210303_100010730154 [0,2,0,0,0,0|1,1,0]=4 20332 B13R1.3518 CCCSc1ccc(c(c1Cl)C)Cl 62a_100010730154_100000210303 [0,2,0,0,0,0|1,1,0]=4 20333 B13R1.3518 CSCOc1ccc(c(c1Cl)Cl)Cl 34a_200011215298_100011218213 [0,2,0,0,0,0|2,0,0]=4 20334 B13R1.3518 CSCOc1ccc(c(c1Cl)N)Cl 34a_100016988457_100011218213 [0,2,0,0,0,0|2,0,0]=4 20335 B13R1.3518 Cc1c(ccc(c1Br)Br)NCCO 2230a_100010244494_100000211926 [0,2,0,0,0,0|1,1,0]=4 20336 B13R1.3518 Cc1c(ccc(c1Br)Br)NCCO 34a_100010244494_100000211926 [0,2,0,0,0,0|1,1,0]=4 20337 B13R1.3518 Cc1c(ccc(c1Br)Br)NCCO 7a_100010244494_100000211926 [0,2,0,0,0,0|1,1,0]=4 20338 B13R1.3518 Cc1c(ccc(c1Br)Cl)NCCF 2230a_100016073598_100011217306 [0,2,0,0,0,0|2,0,0]=4 20339 B13R1.3518 Cc1c(ccc(c1Br)Cl)NCCF 34a_100016073598_100011217306 [0,2,0,0,0,0|2,0,0]=4 20340 B13R1.3518 Cc1c(ccc(c1Br)Cl)NCCF 7a_100016073598_100011217306 [0,2,0,0,0,0|2,0,0]=4 20341 B13R1.3518 Cc1c(ccc(c1Br)Cl)NCCO 2230a_100016073598_100000211926 [0,2,0,0,0,0|1,0,0]=3 20342 B13R1.3518 Cc1c(ccc(c1Br)Cl)NCCO 34a_100016073598_100000211926 [0,2,0,0,0,0|1,0,0]=3 20343 B13R1.3518 Cc1c(ccc(c1Br)Cl)NCCO 7a_100016073598_100000211926 [0,2,0,0,0,0|1,0,0]=3 20344 B13R1.3518 Cc1c(ccc(c1C)NCCO)Br 2230a_100009816967_100000211926 [0,2,0,0,0,0|1,1,0]=4 20345 B13R1.3518 Cc1c(ccc(c1C)NCCO)Br 34a_100009816967_100000211926 [0,2,0,0,0,0|1,1,0]=4 20346 B13R1.3518 Cc1c(ccc(c1C)NCCO)Br 7a_100009816967_100000211926 [0,2,0,0,0,0|1,1,0]=4 20347 B13R1.3518 Cc1c(ccc(c1C)NCCO)F 2230a_100000062172_100000211926 [0,2,0,0,0,0|1,1,0]=4 20348 B13R1.3518 Cc1c(ccc(c1C)NCCO)F 34a_100000062172_100000211926 [0,2,0,0,0,0|1,1,0]=4 20349 B13R1.3518 Cc1c(ccc(c1C)NCCO)F 7a_100000062172_100000211926 [0,2,0,0,0,0|1,1,0]=4 20350 B13R1.3518 Cc1c(ccc(c1C)NCCO)O 34a_200011216674_100000211926 [0,2,0,0,0,0|2,0,0]=4 20351 B13R1.3518 Cc1c(ccc(c1C)NCCO)O 7a_200011216674_100000211926 [0,2,0,0,0,0|2,0,0]=4 20352 B13R1.3518 Cc1c(ccc(c1C)OCCF)Br 34a_100012353674_100011217306 [0,2,0,0,0,0|1,1,0]=4 20353 B13R1.3518 Cc1c(ccc(c1C)OCCF)Br 7a_100012353674_100011217306 [0,2,0,0,0,0|1,1,0]=4 20354 B13R1.3518 Cc1c(ccc(c1C)OCCF)F 34a_100009847123_100011217306 [0,2,0,0,0,0|1,1,0]=4 20355 B13R1.3518 Cc1c(ccc(c1C)OCCF)F 7a_100009847123_100011217306 [0,2,0,0,0,0|1,1,0]=4 20356 B13R1.3518 Cc1c(ccc(c1C)OCCF)I 34a_100011356951_100011217306 [0,2,0,0,0,0|1,1,0]=4 20357 B13R1.3518 Cc1c(ccc(c1C)OCCF)I 7a_100011356951_100011217306 [0,2,0,0,0,0|1,1,0]=4 20358 B13R1.3518 Cc1c(ccc(c1C)OCCF)N 34a_200011216674_100011217306 [0,2,0,0,0,0|2,0,0]=4 20359 B13R1.3518 Cc1c(ccc(c1C)OCCF)N 7a_200011216674_100011217306 [0,2,0,0,0,0|2,0,0]=4 20360 B13R1.3518 Cc1c(ccc(c1C)OCCO)Br 34a_100012353674_100000211926 [0,2,0,0,0,0|0,1,0]=3 20361 B13R1.3518 Cc1c(ccc(c1C)OCCO)Br 7a_100012353674_100000211926 [0,2,0,0,0,0|0,1,0]=3 20362 B13R1.3518 Cc1c(ccc(c1C)OCCO)F 34a_100009847123_100000211926 [0,2,0,0,0,0|0,1,0]=3 20363 B13R1.3518 Cc1c(ccc(c1C)OCCO)F 7a_100009847123_100000211926 [0,2,0,0,0,0|0,1,0]=3 20364 B13R1.3518 Cc1c(ccc(c1C)OCCO)I 34a_100011356951_100000211926 [0,2,0,0,0,0|0,1,0]=3 20365 B13R1.3518 Cc1c(ccc(c1C)OCCO)I 7a_100011356951_100000211926 [0,2,0,0,0,0|0,1,0]=3 20366 B13R1.3518 Cc1c(ccc(c1C)OCCO)N 34a_200011216674_100000211926 [0,2,0,0,0,0|1,0,0]=3 20367 B13R1.3518 Cc1c(ccc(c1C)OCCO)N 7a_200011216674_100000211926 [0,2,0,0,0,0|1,0,0]=3 20368 B13R1.3518 Cc1c(ccc(c1C)SCCO)Br 62a_100000211926_200010185626 [0,2,0,0,0,0|0,2,0]=4 20369 B13R1.3518 Cc1c(ccc(c1C)SCCO)Br 62a_200010185626_100000211926 [0,2,0,0,0,0|0,2,0]=4 20370 B13R1.3518 Cc1c(ccc(c1C)SCCO)F 62a_100000211926_100009816033 [0,2,0,0,0,0|0,2,0]=4 20371 B13R1.3518 Cc1c(ccc(c1C)SCCO)F 62a_100009816033_100000211926 [0,2,0,0,0,0|0,2,0]=4 20372 B13R1.3518 Cc1c(ccc(c1C)SCCO)N 62a_100000211926_100009816967 [0,2,0,0,0,0|1,1,0]=4 20373 B13R1.3518 Cc1c(ccc(c1C)SCCO)N 62a_100009816967_100000211926 [0,2,0,0,0,0|1,1,0]=4 20374 B13R1.3518 Cc1c(ccc(c1C)SCCO)O 62a_100000211926_100012353674 [0,2,0,0,0,0|1,1,0]=4 20375 B13R1.3518 Cc1c(ccc(c1C)SCCO)O 62a_100012353674_100000211926 [0,2,0,0,0,0|1,1,0]=4 20376 B13R1.3518 Cc1c(ccc(c1Cl)Br)NCCO 2230a_100009816872_100000211926 [0,2,0,0,0,0|1,1,0]=4 20377 B13R1.3518 Cc1c(ccc(c1Cl)Br)NCCO 34a_100009816872_100000211926 [0,2,0,0,0,0|1,1,0]=4 20378 B13R1.3518 Cc1c(ccc(c1Cl)Br)NCCO 7a_100009816872_100000211926 [0,2,0,0,0,0|1,1,0]=4 20379 B13R1.3518 Cc1c(ccc(c1Cl)Br)SCCO 62a_100000211926_200010212245 [0,2,0,0,0,0|0,2,0]=4 20380 B13R1.3518 Cc1c(ccc(c1Cl)Br)SCCO 62a_200010212245_100000211926 [0,2,0,0,0,0|0,2,0]=4 20381 B13R1.3518 Cc1c(ccc(c1Cl)Cl)NCCF 2230a_114948340058_100011217306 [0,2,0,0,0,0|2,0,0]=4 20382 B13R1.3518 Cc1c(ccc(c1Cl)Cl)NCCF 34a_114948340058_100011217306 [0,2,0,0,0,0|2,0,0]=4 20383 B13R1.3518 Cc1c(ccc(c1Cl)Cl)NCCF 7a_114948340058_100011217306 [0,2,0,0,0,0|2,0,0]=4 20384 B13R1.3518 Cc1c(ccc(c1Cl)Cl)NCCO 2230a_114948340058_100000211926 [0,2,0,0,0,0|1,0,0]=3 20385 B13R1.3518 Cc1c(ccc(c1Cl)Cl)NCCO 34a_114948340058_100000211926 [0,2,0,0,0,0|1,0,0]=3 20386 B13R1.3518 Cc1c(ccc(c1Cl)Cl)NCCO 7a_114948340058_100000211926 [0,2,0,0,0,0|1,0,0]=3 20387 B13R1.3518 Cc1c(ccc(c1Cl)NCCF)Cl 34a_100011935240_100011217306 [0,2,0,0,0,0|2,0,0]=4 20388 B13R1.3518 Cc1c(ccc(c1Cl)NCCF)Cl 7a_100011935240_100011217306 [0,2,0,0,0,0|2,0,0]=4 20389 B13R1.3518 Cc1c(ccc(c1Cl)NCCO)Cl 34a_100011935240_100000211926 [0,2,0,0,0,0|1,0,0]=3 20390 B13R1.3518 Cc1c(ccc(c1Cl)NCCO)Cl 7a_100011935240_100000211926 [0,2,0,0,0,0|1,0,0]=3 20391 B13R1.3518 Cc1c(ccc(c1Cl)NCCO)F 2230a_100009863382_100000211926 [0,2,0,0,0,0|1,1,0]=4 20392 B13R1.3518 Cc1c(ccc(c1Cl)NCCO)F 34a_100009863382_100000211926 [0,2,0,0,0,0|1,1,0]=4 20393 B13R1.3518 Cc1c(ccc(c1Cl)NCCO)F 7a_100009863382_100000211926 [0,2,0,0,0,0|1,1,0]=4 20394 B13R1.3518 Cc1c(ccc(c1Cl)OCCF)Br 34a_100021574527_100011217306 [0,2,0,0,0,0|1,1,0]=4 20395 B13R1.3518 Cc1c(ccc(c1Cl)OCCF)Br 7a_100021574527_100011217306 [0,2,0,0,0,0|1,1,0]=4 20396 B13R1.3518 Cc1c(ccc(c1Cl)OCCO)Br 34a_100021574527_100000211926 [0,2,0,0,0,0|0,1,0]=3 20397 B13R1.3518 Cc1c(ccc(c1Cl)OCCO)Br 7a_100021574527_100000211926 [0,2,0,0,0,0|0,1,0]=3 20398 B13R1.3518 Cc1c(ccc(c1Cl)SCCF)Cl 62a_100010730154_100011217306 [0,2,0,0,0,0|1,1,0]=4 20399 B13R1.3518 Cc1c(ccc(c1Cl)SCCF)Cl 62a_100011217306_100010730154 [0,2,0,0,0,0|1,1,0]=4 20400 B13R1.3518 Cc1c(ccc(c1Cl)SCCO)Br 62a_100000211926_100055076181 [0,2,0,0,0,0|0,2,0]=4 20401 B13R1.3518 Cc1c(ccc(c1Cl)SCCO)Br 62a_100055076181_100000211926 [0,2,0,0,0,0|0,2,0]=4 20402 B13R1.3518 Cc1c(ccc(c1Cl)SCCO)Cl 62a_100000211926_100010730154 [0,2,0,0,0,0|0,1,0]=3 20403 B13R1.3518 Cc1c(ccc(c1Cl)SCCO)Cl 62a_100010730154_100000211926 [0,2,0,0,0,0|0,1,0]=3 20404 B13R1.3518 Cc1c(ccc(c1F)Br)NCCO 2230a_100010208198_100000211926 [0,2,0,0,0,0|1,1,0]=4 20405 B13R1.3518 Cc1c(ccc(c1F)Br)NCCO 34a_100010208198_100000211926 [0,2,0,0,0,0|1,1,0]=4 20406 B13R1.3518 Cc1c(ccc(c1F)Br)NCCO 7a_100010208198_100000211926 [0,2,0,0,0,0|1,1,0]=4 20407 B13R1.3518 Cc1c(ccc(c1F)Br)OCCF 34a_100010390934_100011217306 [0,2,0,0,0,0|1,1,0]=4 20408 B13R1.3518 Cc1c(ccc(c1F)Br)OCCF 7a_100010390934_100011217306 [0,2,0,0,0,0|1,1,0]=4 20409 B13R1.3518 Cc1c(ccc(c1F)Br)OCCO 34a_100010390934_100000211926 [0,2,0,0,0,0|0,1,0]=3 20410 B13R1.3518 Cc1c(ccc(c1F)Br)OCCO 7a_100010390934_100000211926 [0,2,0,0,0,0|0,1,0]=3 20411 B13R1.3518 Cc1c(ccc(c1F)Br)SCCO 62a_100000211926_100010208201 [0,2,0,0,0,0|0,2,0]=4 20412 B13R1.3518 Cc1c(ccc(c1F)Br)SCCO 62a_100010208201_100000211926 [0,2,0,0,0,0|0,2,0]=4 20413 B13R1.3518 Cc1c(ccc(c1F)F)SCCO 62a_100000211926_100009815991 [0,2,0,0,0,0|0,2,0]=4 20414 B13R1.3518 Cc1c(ccc(c1F)F)SCCO 62a_100009815991_100000211926 [0,2,0,0,0,0|0,2,0]=4 20415 B13R1.3518 Cc1c(ccc(c1F)I)NCCO 34a_100010291050_100000211926 [0,2,0,0,0,0|1,1,0]=4 20416 B13R1.3518 Cc1c(ccc(c1F)I)NCCO 7a_100010291050_100000211926 [0,2,0,0,0,0|1,1,0]=4 20417 B13R1.3518 Cc1c(ccc(c1F)N)OCCF 34a_200000126710_100011217306 [0,2,0,0,0,0|2,0,0]=4 20418 B13R1.3518 Cc1c(ccc(c1F)N)OCCF 7a_200000126710_100011217306 [0,2,0,0,0,0|2,0,0]=4 20419 B13R1.3518 Cc1c(ccc(c1F)N)OCCO 34a_200000126710_100000211926 [0,2,0,0,0,0|1,0,0]=3 20420 B13R1.3518 Cc1c(ccc(c1F)N)OCCO 7a_200000126710_100000211926 [0,2,0,0,0,0|1,0,0]=3 20421 B13R1.3518 Cc1c(ccc(c1F)N)SCCO 62a_100000211926_100000722916 [0,2,0,0,0,0|1,1,0]=4 20422 B13R1.3518 Cc1c(ccc(c1F)N)SCCO 62a_100000722916_100000211926 [0,2,0,0,0,0|1,1,0]=4 20423 B13R1.3518 Cc1c(ccc(c1F)NCCO)Br 2230a_100000722916_100000211926 [0,2,0,0,0,0|1,1,0]=4 20424 B13R1.3518 Cc1c(ccc(c1F)NCCO)Br 34a_100000722916_100000211926 [0,2,0,0,0,0|1,1,0]=4 20425 B13R1.3518 Cc1c(ccc(c1F)NCCO)Br 7a_100000722916_100000211926 [0,2,0,0,0,0|1,1,0]=4 20426 B13R1.3518 Cc1c(ccc(c1F)NCCO)F 2230a_102495366501_100000211926 [0,2,0,0,0,0|1,1,0]=4 20427 B13R1.3518 Cc1c(ccc(c1F)NCCO)F 34a_102495366501_100000211926 [0,2,0,0,0,0|1,1,0]=4 20428 B13R1.3518 Cc1c(ccc(c1F)NCCO)F 7a_102495366501_100000211926 [0,2,0,0,0,0|1,1,0]=4 20429 B13R1.3518 Cc1c(ccc(c1F)NCCO)O 34a_200000126710_100000211926 [0,2,0,0,0,0|2,0,0]=4 20430 B13R1.3518 Cc1c(ccc(c1F)NCCO)O 7a_200000126710_100000211926 [0,2,0,0,0,0|2,0,0]=4 20431 B13R1.3518 Cc1c(ccc(c1F)SCCO)F 62a_100000211926_100009815987 [0,2,0,0,0,0|0,2,0]=4 20432 B13R1.3518 Cc1c(ccc(c1F)SCCO)F 62a_100009815987_100000211926 [0,2,0,0,0,0|0,2,0]=4 20433 B13R1.3518 Cc1c(ccc(c1F)SCCO)N 62a_100000211926_100010208198 [0,2,0,0,0,0|1,1,0]=4 20434 B13R1.3518 Cc1c(ccc(c1F)SCCO)N 62a_100010208198_100000211926 [0,2,0,0,0,0|1,1,0]=4 20435 B13R1.3518 Cc1c(ccc(c1F)SCCO)O 62a_100000211926_100010390934 [0,2,0,0,0,0|1,1,0]=4 20436 B13R1.3518 Cc1c(ccc(c1F)SCCO)O 62a_100010390934_100000211926 [0,2,0,0,0,0|1,1,0]=4 20437 B13R1.3518 Cc1c(ccc(c1N)F)SCCO 62a_100000211926_100010588651 [0,2,0,0,0,0|0,2,0]=4 20438 B13R1.3518 Cc1c(ccc(c1N)F)SCCO 62a_100010588651_100000211926 [0,2,0,0,0,0|0,2,0]=4 20439 B13R1.3518 Cc1c(ccc(c1N)N)SCCO 62a_100010009725_100000211926 [0,2,0,0,0,0|1,1,0]=4 20440 B13R1.3518 Cc1c(ccc(c1N)O)SCCO 62a_100000211926_100013039247 [0,2,0,0,0,0|1,1,0]=4 20441 B13R1.3518 Cc1c(ccc(c1N)O)SCCO 62a_100013039247_100000211926 [0,2,0,0,0,0|1,1,0]=4 20442 B13R1.3518 Cc1c(ccc(c1N)OCCF)Br 34a_100013039247_100011217306 [0,2,0,0,0,0|1,1,0]=4 20443 B13R1.3518 Cc1c(ccc(c1N)OCCF)Br 7a_100013039247_100011217306 [0,2,0,0,0,0|1,1,0]=4 20444 B13R1.3518 Cc1c(ccc(c1N)OCCO)Br 34a_100013039247_100000211926 [0,2,0,0,0,0|0,1,0]=3 20445 B13R1.3518 Cc1c(ccc(c1N)OCCO)Br 7a_100013039247_100000211926 [0,2,0,0,0,0|0,1,0]=3 20446 B13R1.3518 Cc1c(ccc(c1N)SCCO)F 62a_100000211926_100011009917 [0,2,0,0,0,0|0,2,0]=4 20447 B13R1.3518 Cc1c(ccc(c1N)SCCO)F 62a_100011009917_100000211926 [0,2,0,0,0,0|0,2,0]=4 20448 B13R1.3518 Cc1c(ccc(c1O)SCCO)F 62a_100000211926_200010391124 [0,2,0,0,0,0|0,2,0]=4 20449 B13R1.3518 Cc1c(ccc(c1O)SCCO)F 62a_200010391124_100000211926 [0,2,0,0,0,0|0,2,0]=4 20450 B13R1.3518 Cc1c(cnc(c1Br)OCCF)Cl 34a_200010175591_100011217306 [0,2,0,0,0,0|2,0,0]=4 20451 B13R1.3518 Cc1c(cnc(c1Br)OCCO)Cl 34a_200010175591_100000211926 [0,2,0,0,0,0|1,0,0]=3 20452 B13R1.3518 Cc1c(cnc(c1C)OCCO)Br 34a_200011099879_100000211926 [0,2,0,0,0,0|1,1,0]=4 20453 B13R1.3518 Cc1ccc(c(c1Br)C)NCCO 2230a_106354213274_100000211926 [0,2,0,0,0,0|2,0,0]=4 20454 B13R1.3518 Cc1ccc(c(c1Br)C)NCCO 34a_106354213274_100000211926 [0,2,0,0,0,0|2,0,0]=4 20455 B13R1.3518 Cc1ccc(c(c1Br)C)NCCO 7a_106354213274_100000211926 [0,2,0,0,0,0|2,0,0]=4 20456 B13R1.3518 Cc1ccc(c(c1Br)C)OCCF 34a_100010659238_100011217306 [0,2,0,0,0,0|2,0,0]=4 20457 B13R1.3518 Cc1ccc(c(c1Br)C)OCCF 7a_100010659238_100011217306 [0,2,0,0,0,0|2,0,0]=4 20458 B13R1.3518 Cc1ccc(c(c1Br)C)OCCO 34a_100010659238_100000211926 [0,2,0,0,0,0|1,0,0]=3 20459 B13R1.3518 Cc1ccc(c(c1Br)C)OCCO 7a_100010659238_100000211926 [0,2,0,0,0,0|1,0,0]=3 20460 B13R1.3518 Cc1ccc(c(c1C)C)NCCO 2230a_100000116900_100000211926 [0,2,0,0,0,0|2,0,0]=4 20461 B13R1.3518 Cc1ccc(c(c1C)C)NCCO 34a_100000116900_100000211926 [0,2,0,0,0,0|2,0,0]=4 20462 B13R1.3518 Cc1ccc(c(c1C)C)NCCO 7a_100000116900_100000211926 [0,2,0,0,0,0|2,0,0]=4 20463 B13R1.3518 Cc1ccc(c(c1C)F)SCCO 62a_100000211926_200015555822 [0,2,0,0,0,0|1,1,0]=4 20464 B13R1.3518 Cc1ccc(c(c1C)F)SCCO 62a_200015555822_100000211926 [0,2,0,0,0,0|1,1,0]=4 20465 B13R1.3518 Cc1ccc(c(c1Cl)C)NCCO 2230a_100009954856_100000211926 [0,2,0,0,0,0|2,0,0]=4 20466 B13R1.3518 Cc1ccc(c(c1Cl)C)NCCO 34a_100009954856_100000211926 [0,2,0,0,0,0|2,0,0]=4 20467 B13R1.3518 Cc1ccc(c(c1Cl)C)NCCO 7a_100009954856_100000211926 [0,2,0,0,0,0|2,0,0]=4 20468 B13R1.3518 Cc1ccc(c(c1F)F)NCCO 2230a_100000062217_100000211926 [0,2,0,0,0,0|2,0,0]=4 20469 B13R1.3518 Cc1ccc(c(c1F)F)NCCO 34a_100000062217_100000211926 [0,2,0,0,0,0|2,0,0]=4 20470 B13R1.3518 Cc1ccc(c(c1F)F)NCCO 7a_100000062217_100000211926 [0,2,0,0,0,0|2,0,0]=4 20471 B13R1.3518 Cc1ccc(c(c1F)F)OCCF 34a_100000036877_100011217306 [0,2,0,0,0,0|2,0,0]=4 20472 B13R1.3518 Cc1ccc(c(c1F)F)OCCF 7a_100000036877_100011217306 [0,2,0,0,0,0|2,0,0]=4 20473 B13R1.3518 Cc1ccc(c(c1F)F)OCCO 34a_100000036877_100000211926 [0,2,0,0,0,0|1,0,0]=3 20474 B13R1.3518 Cc1ccc(c(c1F)F)OCCO 7a_100000036877_100000211926 [0,2,0,0,0,0|1,0,0]=3 20475 B13R1.3518 Cc1ccc(c(c1F)F)SCCO 62a_100000211926_100012766498 [0,2,0,0,0,0|1,1,0]=4 20476 B13R1.3518 Cc1ccc(c(c1F)F)SCCO 62a_100012766498_100000211926 [0,2,0,0,0,0|1,1,0]=4 20477 B13R1.3518 Cc1ccc(c(c1F)O)SCCO 62a_100000211926_100000722096 [0,2,0,0,0,0|1,1,0]=4 20478 B13R1.3518 Cc1ccc(c(c1F)O)SCCO 62a_100000722096_100000211926 [0,2,0,0,0,0|1,1,0]=4 20479 B13R1.3518 Cc1ccc(c(c1I)C)NCCO 34a_100011170560_100000211926 [0,2,0,0,0,0|2,0,0]=4 20480 B13R1.3518 Cc1ccc(c(c1I)C)NCCO 7a_100011170560_100000211926 [0,2,0,0,0,0|2,0,0]=4 20481 B13R1.3518 Cc1ccc(c(c1N)C)SCCO 62a_100000211926_200010074581 [0,2,0,0,0,0|1,1,0]=4 20482 B13R1.3518 Cc1ccc(c(c1N)C)SCCO 62a_200010074581_100000211926 [0,2,0,0,0,0|1,1,0]=4 20483 B13R1.3518 Cc1ccc(c(c1O)Cl)NCCO 34a_100000036876_100000211926 [0,2,0,0,0,0|2,0,0]=4 20484 B13R1.3518 Cc1ccc(c(c1O)Cl)NCCO 7a_100000036876_100000211926 [0,2,0,0,0,0|2,0,0]=4 20485 B13R1.3518 FCCNc1ccc(c(c1Br)Cl)Cl 34a_100021501213_100011217306 [0,2,0,0,0,0|2,0,0]=4 20486 B13R1.3518 FCCNc1ccc(c(c1Cl)Cl)Cl 34a_200000033989_100011217306 [0,2,0,0,0,0|2,0,0]=4 20487 B13R1.3518 FCCNc1ccc(c(c1Cl)F)Cl 2230a_100000069711_100011217306 [0,2,0,0,0,0|2,0,0]=4 20488 B13R1.3518 FCCNc1ccc(c(c1Cl)F)Cl 34a_100000069711_100011217306 [0,2,0,0,0,0|2,0,0]=4 20489 B13R1.3518 FCCNc1ccc(c(c1Cl)F)Cl 7a_100000069711_100011217306 [0,2,0,0,0,0|2,0,0]=4 20490 B13R1.3518 FCCNc1ccc(c(c1F)Cl)Cl 2230a_100000036759_100011217306 [0,2,0,0,0,0|2,0,0]=4 20491 B13R1.3518 FCCNc1ccc(c(c1F)Cl)Cl 34a_100000036759_100011217306 [0,2,0,0,0,0|2,0,0]=4 20492 B13R1.3518 FCCNc1ccc(c(c1F)F)Cl 2230a_100000088996_100011217306 [0,2,0,0,0,0|2,0,0]=4 20493 B13R1.3518 FCCNc1ccc(c(c1F)F)Cl 34a_100000088996_100011217306 [0,2,0,0,0,0|2,0,0]=4 20494 B13R1.3518 FCCNc1ccc(c(c1F)F)Cl 7a_100000088996_100011217306 [0,2,0,0,0,0|2,0,0]=4 20495 B13R1.3518 FCCNc1ccc(c(c1I)Cl)Cl 34a_200011093878_100011217306 [0,2,0,0,0,0|2,0,0]=4 20496 B13R1.3518 FCCNc1ccc(c(c1I)F)Cl 34a_100010134325_100011217306 [0,2,0,0,0,0|2,0,0]=4 20497 B13R1.3518 FCCOc1ccc(c(c1Cl)Cl)Br 34a_100011988769_100011217306 [0,2,0,0,0,0|1,1,0]=4 20498 B13R1.3518 FCCOc1ccc(c(c1Cl)Cl)Br 7a_100011988769_100011217306 [0,2,0,0,0,0|1,1,0]=4 20499 B13R1.3518 FCCOc1ccc(c(c1Cl)Cl)Cl 34a_200011215298_100011217306 [0,2,0,0,0,0|1,0,0]=3 20500 B13R1.3518 FCCOc1ccc(c(c1Cl)Cl)Cl 7a_200011215298_100011217306 [0,2,0,0,0,0|1,0,0]=3 20501 B13R1.3518 FCCOc1ccc(c(c1Cl)F)Br 34a_100010245746_100011217306 [0,2,0,0,0,0|1,1,0]=4 20502 B13R1.3518 FCCOc1ccc(c(c1Cl)F)Br 7a_100010245746_100011217306 [0,2,0,0,0,0|1,1,0]=4 20503 B13R1.3518 FCCOc1ccc(c(c1F)F)Br 34a_100011830415_100011217306 [0,2,0,0,0,0|1,1,0]=4 20504 B13R1.3518 FCCOc1ccc(c(c1F)F)Br 7a_100011830415_100011217306 [0,2,0,0,0,0|1,1,0]=4 20505 B13R1.3518 FCCOc1ccc(c(c1F)F)F 34a_100000230025_100011217306 [0,2,0,0,0,0|1,1,0]=4 20506 B13R1.3518 FCCOc1ccc(c(c1F)F)F 7a_100000230025_100011217306 [0,2,0,0,0,0|1,1,0]=4 20507 B13R1.3518 FCCOc1ccc(c(c1F)F)I 34a_200011356956_100011217306 [0,2,0,0,0,0|1,1,0]=4 20508 B13R1.3518 FCCOc1ccc(c(c1F)F)I 7a_200011356956_100011217306 [0,2,0,0,0,0|1,1,0]=4 20509 B13R1.3518 FCCOc1ncc(c(c1Cl)Cl)Cl 34a_200010273840_100011217306 [0,2,0,0,0,0|2,0,0]=4 20510 B13R1.3518 N#CCOc1ccc(c(c1Cl)Cl)Cl 7a_200011215298_100011215382 [0,2,0,0,0,0|1,0,1]=4 20511 B13R1.3518 N#CCOc1ccc(c(c1Cl)N)Cl 7a_100016988457_100011215382 [0,2,0,0,0,0|1,0,1]=4 20512 B13R1.3518 Nc1c(ccc(c1Cl)OCC=O)Cl 34a_100016988457_200009817547 [0,2,0,0,0,0|0,0,2]=4 20513 B13R1.3518 Nc1c(ccc(c1Cl)OCC=O)Cl 7a_100016988457_200015260668 [0,2,0,0,0,0|0,0,2]=4 20514 B13R1.3518 Nc1c(ccc(c1Cl)OCCF)Cl 34a_100016988457_100011217306 [0,2,0,0,0,0|1,0,0]=3 20515 B13R1.3518 Nc1c(ccc(c1Cl)OCCF)Cl 7a_100016988457_100011217306 [0,2,0,0,0,0|1,0,0]=3 20516 B13R1.3518 Nc1c(ccc(c1Cl)OCCO)Cl 34a_100016988457_100000211926 [0,2,0,0,0,0|0,0,0]=2 20517 B13R1.3518 Nc1c(ccc(c1Cl)OCCO)Cl 7a_100016988457_100000211926 [0,2,0,0,0,0|0,0,0]=2 20518 B13R1.3518 Nc1c(ccc(c1F)F)SCCO 62a_100000211926_100010008850 [0,2,0,0,0,0|0,2,0]=4 20519 B13R1.3518 Nc1c(ccc(c1F)F)SCCO 62a_100010008850_100000211926 [0,2,0,0,0,0|0,2,0]=4 20520 B13R1.3518 Nc1c(ccc(c1F)SCCO)F 62a_100000211926_100025793129 [0,2,0,0,0,0|0,2,0]=4 20521 B13R1.3518 Nc1c(ccc(c1F)SCCO)F 62a_100025793129_100000211926 [0,2,0,0,0,0|0,2,0]=4 20522 B13R1.3518 Nc1c(ccc(c1N)SCCO)F 62a_100011102919_100000211926 [0,2,0,0,0,0|0,2,0]=4 20523 B13R1.3518 Nc1c(ccc(c1O)Br)SCCO 62a_100020748643_100000211926 [0,2,0,0,0,0|0,2,0]=4 20524 B13R1.3518 Nc1c(cnc(c1F)Cl)SCCO 62a_100000211926_100135388890 [0,2,0,0,0,0|1,1,0]=4 20525 B13R1.3518 Nc1c(cnc(c1F)Cl)SCCO 62a_100135388890_100000211926 [0,2,0,0,0,0|1,1,0]=4 20526 B13R1.3518 Nc1ccc(c(c1Br)F)SCCO 62a_100000211926_100015781493 [0,2,0,0,0,0|1,1,0]=4 20527 B13R1.3518 Nc1ccc(c(c1Br)F)SCCO 62a_100015781493_100000211926 [0,2,0,0,0,0|1,1,0]=4 20528 B13R1.3518 Nc1ccc(c(c1Cl)Cl)OCCF 34a_100012017499_100011217306 [0,2,0,0,0,0|2,0,0]=4 20529 B13R1.3518 Nc1ccc(c(c1Cl)Cl)OCCF 7a_100012017499_100011217306 [0,2,0,0,0,0|2,0,0]=4 20530 B13R1.3518 Nc1ccc(c(c1Cl)Cl)OCCO 34a_100012017499_100000211926 [0,2,0,0,0,0|1,0,0]=3 20531 B13R1.3518 Nc1ccc(c(c1Cl)Cl)OCCO 7a_100012017499_100000211926 [0,2,0,0,0,0|1,0,0]=3 20532 B13R1.3518 Nc1ccc(c(c1F)Cl)OCCF 34a_200000098347_100011217306 [0,2,0,0,0,0|2,0,0]=4 20533 B13R1.3518 Nc1ccc(c(c1F)Cl)OCCF 7a_200000098347_100011217306 [0,2,0,0,0,0|2,0,0]=4 20534 B13R1.3518 Nc1ccc(c(c1F)Cl)OCCO 34a_200000098347_100000211926 [0,2,0,0,0,0|1,0,0]=3 20535 B13R1.3518 Nc1ccc(c(c1F)Cl)OCCO 7a_200000098347_100000211926 [0,2,0,0,0,0|1,0,0]=3 20536 B13R1.3518 Nc1ccc(c(c1F)F)OCCF 34a_100015204651_100011217306 [0,2,0,0,0,0|2,0,0]=4 20537 B13R1.3518 Nc1ccc(c(c1F)F)OCCF 7a_100015204651_100011217306 [0,2,0,0,0,0|2,0,0]=4 20538 B13R1.3518 Nc1ccc(c(c1F)F)OCCO 34a_100015204651_100000211926 [0,2,0,0,0,0|1,0,0]=3 20539 B13R1.3518 Nc1ccc(c(c1F)F)OCCO 7a_100015204651_100000211926 [0,2,0,0,0,0|1,0,0]=3 20540 B13R1.3518 Nc1ccc(c(c1F)F)SCCO 62a_100000211926_100010200256 [0,2,0,0,0,0|1,1,0]=4 20541 B13R1.3518 Nc1ccc(c(c1F)F)SCCO 62a_100010200256_100000211926 [0,2,0,0,0,0|1,1,0]=4 20542 B13R1.3518 Nc1ccc(c(c1N)F)SCCO 62a_100009814308_100000211926 [0,2,0,0,0,0|1,1,0]=4 20543 B13R1.3518 O=CCOc1ccc(c(c1Cl)Cl)Cl 34a_200011215298_200009817547 [0,2,0,0,0,0|0,0,2]=4 20544 B13R1.3518 O=CCOc1ccc(c(c1Cl)Cl)Cl 7a_200011215298_200015260668 [0,2,0,0,0,0|0,0,2]=4 20545 B13R1.3518 OCCNc1ccc(c(c1Br)Br)Br 34a_100010151465_100000211926 [0,2,0,0,0,0|1,1,0]=4 20546 B13R1.3518 OCCNc1ccc(c(c1Br)Cl)Cl 34a_100021501213_100000211926 [0,2,0,0,0,0|1,0,0]=3 20547 B13R1.3518 OCCNc1ccc(c(c1Br)F)F 2230a_100010232473_100000211926 [0,2,0,0,0,0|1,1,0]=4 20548 B13R1.3518 OCCNc1ccc(c(c1Br)F)F 34a_100010232473_100000211926 [0,2,0,0,0,0|1,1,0]=4 20549 B13R1.3518 OCCNc1ccc(c(c1Br)F)F 7a_100010232473_100000211926 [0,2,0,0,0,0|1,1,0]=4 20550 B13R1.3518 OCCNc1ccc(c(c1Br)F)I 34a_100015781493_100000211926 [0,2,0,0,0,0|1,1,0]=4 20551 B13R1.3518 OCCNc1ccc(c(c1Cl)Cl)Br 34a_100000701039_100000211926 [0,2,0,0,0,0|1,1,0]=4 20552 B13R1.3518 OCCNc1ccc(c(c1Cl)Cl)Cl 34a_200000033989_100000211926 [0,2,0,0,0,0|1,0,0]=3 20553 B13R1.3518 OCCNc1ccc(c(c1Cl)Cl)F 2230a_100000068956_100000211926 [0,2,0,0,0,0|1,1,0]=4 20554 B13R1.3518 OCCNc1ccc(c(c1Cl)Cl)F 34a_100000068956_100000211926 [0,2,0,0,0,0|1,1,0]=4 20555 B13R1.3518 OCCNc1ccc(c(c1Cl)Cl)F 7a_100000068956_100000211926 [0,2,0,0,0,0|1,1,0]=4 20556 B13R1.3518 OCCNc1ccc(c(c1Cl)Cl)O 34a_100012017499_100000211926 [0,2,0,0,0,0|2,0,0]=4 20557 B13R1.3518 OCCNc1ccc(c(c1Cl)Cl)O 7a_100012017499_100000211926 [0,2,0,0,0,0|2,0,0]=4 20558 B13R1.3518 OCCNc1ccc(c(c1Cl)F)Br 2230a_100010109752_100000211926 [0,2,0,0,0,0|1,1,0]=4 20559 B13R1.3518 OCCNc1ccc(c(c1Cl)F)Br 34a_100010109752_100000211926 [0,2,0,0,0,0|1,1,0]=4 20560 B13R1.3518 OCCNc1ccc(c(c1Cl)F)Cl 2230a_100000069711_100000211926 [0,2,0,0,0,0|1,0,0]=3 20561 B13R1.3518 OCCNc1ccc(c(c1Cl)F)Cl 34a_100000069711_100000211926 [0,2,0,0,0,0|1,0,0]=3 20562 B13R1.3518 OCCNc1ccc(c(c1Cl)F)Cl 7a_100000069711_100000211926 [0,2,0,0,0,0|1,0,0]=3 20563 B13R1.3518 OCCNc1ccc(c(c1Cl)F)F 2230a_100000101296_100000211926 [0,2,0,0,0,0|1,1,0]=4 20564 B13R1.3518 OCCNc1ccc(c(c1Cl)F)F 34a_100000101296_100000211926 [0,2,0,0,0,0|1,1,0]=4 20565 B13R1.3518 OCCNc1ccc(c(c1Cl)F)F 7a_100000101296_100000211926 [0,2,0,0,0,0|1,1,0]=4 20566 B13R1.3518 OCCNc1ccc(c(c1F)Br)F 2230a_100010070858_100000211926 [0,2,0,0,0,0|1,1,0]=4 20567 B13R1.3518 OCCNc1ccc(c(c1F)Br)F 34a_100010070858_100000211926 [0,2,0,0,0,0|1,1,0]=4 20568 B13R1.3518 OCCNc1ccc(c(c1F)Br)F 7a_100010070858_100000211926 [0,2,0,0,0,0|1,1,0]=4 20569 B13R1.3518 OCCNc1ccc(c(c1F)Cl)Br 2230a_100009813730_100000211926 [0,2,0,0,0,0|1,1,0]=4 20570 B13R1.3518 OCCNc1ccc(c(c1F)Cl)Br 34a_100009813730_100000211926 [0,2,0,0,0,0|1,1,0]=4 20571 B13R1.3518 OCCNc1ccc(c(c1F)Cl)Cl 2230a_100000036759_100000211926 [0,2,0,0,0,0|1,0,0]=3 20572 B13R1.3518 OCCNc1ccc(c(c1F)Cl)Cl 34a_100000036759_100000211926 [0,2,0,0,0,0|1,0,0]=3 20573 B13R1.3518 OCCNc1ccc(c(c1F)Cl)F 2230a_100000038966_100000211926 [0,2,0,0,0,0|1,1,0]=4 20574 B13R1.3518 OCCNc1ccc(c(c1F)Cl)F 34a_100000038966_100000211926 [0,2,0,0,0,0|1,1,0]=4 20575 B13R1.3518 OCCNc1ccc(c(c1F)Cl)F 7a_100000038966_100000211926 [0,2,0,0,0,0|1,1,0]=4 20576 B13R1.3518 OCCNc1ccc(c(c1F)Cl)O 34a_200000098347_100000211926 [0,2,0,0,0,0|2,0,0]=4 20577 B13R1.3518 OCCNc1ccc(c(c1F)Cl)O 7a_200000098347_100000211926 [0,2,0,0,0,0|2,0,0]=4 20578 B13R1.3518 OCCNc1ccc(c(c1F)F)Br 2230a_100010200256_100000211926 [0,2,0,0,0,0|1,1,0]=4 20579 B13R1.3518 OCCNc1ccc(c(c1F)F)Br 34a_100010200256_100000211926 [0,2,0,0,0,0|1,1,0]=4 20580 B13R1.3518 OCCNc1ccc(c(c1F)F)Cl 2230a_100000088996_100000211926 [0,2,0,0,0,0|1,0,0]=3 20581 B13R1.3518 OCCNc1ccc(c(c1F)F)Cl 34a_100000088996_100000211926 [0,2,0,0,0,0|1,0,0]=3 20582 B13R1.3518 OCCNc1ccc(c(c1F)F)Cl 7a_100000088996_100000211926 [0,2,0,0,0,0|1,0,0]=3 20583 B13R1.3518 OCCNc1ccc(c(c1F)F)F 2230a_100000210235_100000211926 [0,2,0,0,0,0|1,1,0]=4 20584 B13R1.3518 OCCNc1ccc(c(c1F)F)F 34a_100000210235_100000211926 [0,2,0,0,0,0|1,1,0]=4 20585 B13R1.3518 OCCNc1ccc(c(c1F)F)F 7a_100000210235_100000211926 [0,2,0,0,0,0|1,1,0]=4 20586 B13R1.3518 OCCNc1ccc(c(c1F)F)I 34a_100010291506_100000211926 [0,2,0,0,0,0|1,1,0]=4 20587 B13R1.3518 OCCNc1ccc(c(c1F)F)I 7a_100010291506_100000211926 [0,2,0,0,0,0|1,1,0]=4 20588 B13R1.3518 OCCNc1ccc(c(c1F)F)O 34a_100015204651_100000211926 [0,2,0,0,0,0|2,0,0]=4 20589 B13R1.3518 OCCNc1ccc(c(c1F)F)O 7a_100015204651_100000211926 [0,2,0,0,0,0|2,0,0]=4 20590 B13R1.3518 OCCNc1ccc(c(c1F)I)F 34a_100015510717_100000211926 [0,2,0,0,0,0|1,1,0]=4 20591 B13R1.3518 OCCNc1ccc(c(c1I)Br)F 34a_100020765651_100000211926 [0,2,0,0,0,0|1,1,0]=4 20592 B13R1.3518 OCCNc1ccc(c(c1I)Cl)Br 34a_200010779962_100000211926 [0,2,0,0,0,0|1,1,0]=4 20593 B13R1.3518 OCCNc1ccc(c(c1I)Cl)Cl 34a_200011093878_100000211926 [0,2,0,0,0,0|1,0,0]=3 20594 B13R1.3518 OCCNc1ccc(c(c1I)F)Cl 34a_100010134325_100000211926 [0,2,0,0,0,0|1,0,0]=3 20595 B13R1.3518 OCCNc1ccc(c(c1O)Br)F 34a_100010128263_100000211926 [0,2,0,0,0,0|1,1,0]=4 20596 B13R1.3518 OCCNc1ccc(c(c1O)F)F 34a_100015205010_100000211926 [0,2,0,0,0,0|1,1,0]=4 20597 B13R1.3518 OCCOc1ccc(c(c1Cl)Cl)Br 34a_100011988769_100000211926 [0,2,0,0,0,0|0,1,0]=3 20598 B13R1.3518 OCCOc1ccc(c(c1Cl)Cl)Br 7a_100011988769_100000211926 [0,2,0,0,0,0|0,1,0]=3 20599 B13R1.3518 OCCOc1ccc(c(c1Cl)Cl)Cl 34a_200011215298_100000211926 [0,2,0,0,0,0|0,0,0]=2 20600 B13R1.3518 OCCOc1ccc(c(c1Cl)Cl)Cl 7a_200011215298_100000211926 [0,2,0,0,0,0|0,0,0]=2 20601 B13R1.3518 OCCOc1ccc(c(c1Cl)F)Br 34a_100010245746_100000211926 [0,2,0,0,0,0|0,1,0]=3 20602 B13R1.3518 OCCOc1ccc(c(c1Cl)F)Br 7a_100010245746_100000211926 [0,2,0,0,0,0|0,1,0]=3 20603 B13R1.3518 OCCOc1ccc(c(c1F)F)Br 34a_100011830415_100000211926 [0,2,0,0,0,0|0,1,0]=3 20604 B13R1.3518 OCCOc1ccc(c(c1F)F)Br 7a_100011830415_100000211926 [0,2,0,0,0,0|0,1,0]=3 20605 B13R1.3518 OCCOc1ccc(c(c1F)F)F 34a_100000230025_100000211926 [0,2,0,0,0,0|0,1,0]=3 20606 B13R1.3518 OCCOc1ccc(c(c1F)F)F 7a_100000230025_100000211926 [0,2,0,0,0,0|0,1,0]=3 20607 B13R1.3518 OCCOc1ccc(c(c1F)F)I 34a_200011356956_100000211926 [0,2,0,0,0,0|0,1,0]=3 20608 B13R1.3518 OCCOc1ccc(c(c1F)F)I 7a_200011356956_100000211926 [0,2,0,0,0,0|0,1,0]=3 20609 B13R1.3518 OCCOc1ncc(c(c1Cl)Cl)Cl 34a_200010273840_100000211926 [0,2,0,0,0,0|1,0,0]=3 20610 B13R1.3518 OCCSc1ccc(c(c1Cl)Cl)Br 62a_100000211926_200012356690 [0,2,0,0,0,0|0,2,0]=4 20611 B13R1.3518 OCCSc1ccc(c(c1Cl)Cl)Br 62a_200012356690_100000211926 [0,2,0,0,0,0|0,2,0]=4 20612 B13R1.3518 OCCSc1ccc(c(c1F)Br)F 62a_100000211926_100010167943 [0,2,0,0,0,0|0,2,0]=4 20613 B13R1.3518 OCCSc1ccc(c(c1F)Br)F 62a_100010167943_100000211926 [0,2,0,0,0,0|0,2,0]=4 20614 B13R1.3518 OCCSc1ccc(c(c1F)Cl)Br 62a_100000211926_100010212236 [0,2,0,0,0,0|0,2,0]=4 20615 B13R1.3518 OCCSc1ccc(c(c1F)Cl)Br 62a_100010212236_100000211926 [0,2,0,0,0,0|0,2,0]=4 20616 B13R1.3518 OCCSc1ccc(c(c1F)Cl)F 62a_100000211926_200000038702 [0,2,0,0,0,0|0,2,0]=4 20617 B13R1.3518 OCCSc1ccc(c(c1F)Cl)F 62a_200000038702_100000211926 [0,2,0,0,0,0|0,2,0]=4 20618 B13R1.3518 OCCSc1ccc(c(c1F)F)Br 62a_100000211926_100010212264 [0,2,0,0,0,0|0,2,0]=4 20619 B13R1.3518 OCCSc1ccc(c(c1F)F)Br 62a_100010212264_100000211926 [0,2,0,0,0,0|0,2,0]=4 20620 B13R1.3518 OCCSc1ccc(c(c1F)F)F 62a_100000211926_100000750562 [0,2,0,0,0,0|0,2,0]=4 20621 B13R1.3518 OCCSc1ccc(c(c1F)F)F 62a_100000750562_100000211926 [0,2,0,0,0,0|0,2,0]=4 20622 B13R1.3518 OCCSc1ccc(c(c1F)F)O 62a_100000211926_100011830415 [0,2,0,0,0,0|1,1,0]=4 20623 B13R1.3518 OCCSc1ccc(c(c1F)F)O 62a_100011830415_100000211926 [0,2,0,0,0,0|1,1,0]=4 20624 B13R1.3518 OCCSc1ccc(c(c1F)O)Br 62a_100000211926_200010782288 [0,2,0,0,0,0|0,2,0]=4 20625 B13R1.3518 OCCSc1ccc(c(c1F)O)Br 62a_200010782288_100000211926 [0,2,0,0,0,0|0,2,0]=4 20626 B13R1.3518 OCCSc1ccc(c(c1F)O)F 62a_100000211926_100010167067 [0,2,0,0,0,0|0,2,0]=4 20627 B13R1.3518 OCCSc1ccc(c(c1F)O)F 62a_100010167067_100000211926 [0,2,0,0,0,0|0,2,0]=4 20628 B13R1.3518 OCCSc1ccc(c(c1O)F)F 62a_100000211926_100010243909 [0,2,0,0,0,0|0,2,0]=4 20629 B13R1.3518 OCCSc1ccc(c(c1O)F)F 62a_100010243909_100000211926 [0,2,0,0,0,0|0,2,0]=4 20630 B13R1.74 C=C(C)c1ccc(cc1)CCCO 271570a_100000694244_100011709247 [0,2,0,0,0,0|2,0,0]=4 20631 B13R1.74 C=C(C)c1ccc(cc1)OCCC 271570a_100000694244_100000169948 [0,2,0,0,0,0|2,0,0]=4 20632 B13R1.74 C=C(C)c1ccc(cc1)OCCC 34a_100009880102_100000210303 [0,2,0,0,0,0|2,0,0]=4 20633 B13R1.74 C=C(C)c1ccc(cc1)OCCC 7a_100009880102_100000210303 [0,2,0,0,0,0|2,0,0]=4 20634 B13R1.74 C=C(C)c1ccc(cc1)OCCF 271570a_100000694244_100012347556 [0,2,0,0,0,0|2,0,0]=4 20635 B13R1.74 C=C(C)c1ccc(cc1)OCCF 34a_100009880102_100011217306 [0,2,0,0,0,0|2,0,0]=4 20636 B13R1.74 C=C(C)c1ccc(cc1)OCCF 7a_100009880102_100011217306 [0,2,0,0,0,0|2,0,0]=4 20637 B13R1.74 C=C(C)c1ccc(cc1)OCCN 271570a_100000694244_100000746992 [0,2,0,0,0,0|2,0,0]=4 20638 B13R1.74 C=C(C)c1ccc(cc1)OCCO 271570a_100000694244_100000686261 [0,2,0,0,0,0|1,0,0]=3 20639 B13R1.74 C=C(C)c1ccc(cc1)OCCO 34a_100009880102_100000211926 [0,2,0,0,0,0|1,0,0]=3 20640 B13R1.74 C=C(C)c1ccc(cc1)OCCO 7a_100009880102_100000211926 [0,2,0,0,0,0|1,0,0]=3 20641 B13R1.74 C=C(C)c1ccc(cc1)SCCO 62a_100000185454_100000211926 [0,2,0,0,0,0|1,1,0]=4 20642 B13R1.74 C=C(C)c1ccc(cc1)SCCO 62a_100000211926_100000185454 [0,2,0,0,0,0|1,1,0]=4 20643 B13R1.74 C=C(C)c1ccc(cn1)OCCO 271570a_100000694244_200013150534 [0,2,0,0,0,0|2,0,0]=4 20644 B13R1.74 CC(=O)c1ccc(cc1)OCCF 34a_100000185113_100011217306 [0,2,0,0,0,0|2,0,0]=4 20645 B13R1.74 CC(=O)c1ccc(cc1)OCCF 7a_100000185113_100011217306 [0,2,0,0,0,0|2,0,0]=4 20646 B13R1.74 CC(=O)c1ccc(cc1)OCCO 1458a_100000217286_200000210301 [0,2,0,0,0,0|1,0,0]=3 20647 B13R1.74 CC(=O)c1ccc(cc1)OCCO 34a_100000185113_100000211926 [0,2,0,0,0,0|1,0,0]=3 20648 B13R1.74 CC(=O)c1ccc(cc1)OCCO 7a_100000185113_100000211926 [0,2,0,0,0,0|1,0,0]=3 20649 B13R1.74 CC(=O)c1ccc(cc1)SCCO 1458a_200000182347_200000210301 [0,2,0,0,0,0|1,1,0]=4 20650 B13R1.74 CC(=O)c1ccc(cc1)SCCO 62a_100000185465_100000211926 [0,2,0,0,0,0|1,1,0]=4 20651 B13R1.74 CC(=O)c1ccc(cc1)SCCO 62a_100000211926_100000185465 [0,2,0,0,0,0|1,1,0]=4 20652 B13R1.74 CC(=O)c1ccc(cn1)OCCO 34a_100012001710_100000211926 [0,2,0,0,0,0|2,0,0]=4 20653 B13R1.74 CC(=O)c1ccc(cn1)OCCO 7a_100012001710_100000211926 [0,2,0,0,0,0|2,0,0]=4 20654 B13R1.74 CC(C)c1ccc(cc1)NCCO 2230a_100000210773_100000211926 [0,2,0,0,0,0|2,0,0]=4 20655 B13R1.74 CC(C)c1ccc(cc1)NCCO 34a_100000210773_100000211926 [0,2,0,0,0,0|2,0,0]=4 20656 B13R1.74 CC(C)c1ccc(cc1)NCCO 7a_100000210773_100000211926 [0,2,0,0,0,0|2,0,0]=4 20657 B13R1.74 CC(C)c1ccc(cc1)OCCF 34a_100000181308_100011217306 [0,2,0,0,0,0|2,0,0]=4 20658 B13R1.74 CC(C)c1ccc(cc1)OCCF 7a_100000181308_100011217306 [0,2,0,0,0,0|2,0,0]=4 20659 B13R1.74 CC(C)c1ccc(cc1)OCCO 34a_100000181308_100000211926 [0,2,0,0,0,0|1,0,0]=3 20660 B13R1.74 CC(C)c1ccc(cc1)OCCO 7a_100000181308_100000211926 [0,2,0,0,0,0|1,0,0]=3 20661 B13R1.74 CC(C)c1ccc(cc1)SCCO 62a_100000211926_100000750031 [0,2,0,0,0,0|1,1,0]=4 20662 B13R1.74 CC(C)c1ccc(cc1)SCCO 62a_100000750031_100000211926 [0,2,0,0,0,0|1,1,0]=4 20663 B13R1.74 CC(O)c1ccc(cc1)NCCO 2230a_100011216399_100000211926 [0,2,0,0,0,0|2,0,0]=4 20664 B13R1.74 CC(O)c1ccc(cc1)NCCO 34a_100011216399_100000211926 [0,2,0,0,0,0|2,0,0]=4 20665 B13R1.74 CC(O)c1ccc(cc1)OCCF 34a_100000754508_100011217306 [0,2,0,0,0,0|2,0,0]=4 20666 B13R1.74 CC(O)c1ccc(cc1)OCCF 7a_100000754508_100011217306 [0,2,0,0,0,0|2,0,0]=4 20667 B13R1.74 CC(O)c1ccc(cc1)OCCO 34a_100000754508_100000211926 [0,2,0,0,0,0|1,0,0]=3 20668 B13R1.74 CC(O)c1ccc(cc1)OCCO 7a_100000754508_100000211926 [0,2,0,0,0,0|1,0,0]=3 20669 B13R1.74 CC(O)c1ccc(cc1)SCCO 62a_100000211926_100000745893 [0,2,0,0,0,0|1,1,0]=4 20670 B13R1.74 CC(O)c1ccc(cc1)SCCO 62a_100000745893_100000211926 [0,2,0,0,0,0|1,1,0]=4 20671 B13R1.74 CCCOc1ccc(cc1)C(=O)C 1458a_100000182924_200000210301 [0,2,0,0,0,0|2,0,0]=4 20672 B13R1.74 CCCOc1ccc(cc1)C(=O)C 34a_100000185113_100000210303 [0,2,0,0,0,0|2,0,0]=4 20673 B13R1.74 CCCOc1ccc(cc1)C(=O)C 7a_100000185113_100000210303 [0,2,0,0,0,0|2,0,0]=4 20674 B13R1.74 CCCOc1ccc(cc1)C(=O)N 34a_100000746352_100000210303 [0,2,0,0,0,0|2,0,0]=4 20675 B13R1.74 CCCOc1ccc(cc1)C(=O)N 7a_100000746352_100000210303 [0,2,0,0,0,0|2,0,0]=4 20676 B13R1.74 CCCOc1ccc(cc1)C(=O)[13CH3] 1458a_100000182924_200025704644 [0,2,0,0,0,0|2,0,0]=4 20677 B13R1.74 CCCOc1ccc(cc1)C(C)C 34a_100000181308_100000210303 [0,2,0,0,0,0|2,0,0]=4 20678 B13R1.74 CCCOc1ccc(cc1)C(C)C 7a_100000181308_100000210303 [0,2,0,0,0,0|2,0,0]=4 20679 B13R1.74 CCCOc1ccc(cc1)C(C)O 34a_100000754508_100000210303 [0,2,0,0,0,0|2,0,0]=4 20680 B13R1.74 CCCOc1ccc(cc1)C(C)O 7a_100000754508_100000210303 [0,2,0,0,0,0|2,0,0]=4 20681 B13R1.74 CCCOc1ccc(cc1)N(C)C 34a_100000718910_100000210303 [0,2,0,0,0,0|2,0,0]=4 20682 B13R1.74 CCCOc1ccc(cc1)S(=O)C 34a_200000064373_100000210303 [0,2,0,0,0,0|2,0,0]=4 20683 B13R1.74 CCCOc1ccc(cc1)S(=O)C 7a_200000064373_100000210303 [0,2,0,0,0,0|2,0,0]=4 20684 B13R1.74 CCCOc1ccc(cc1)[C@H](C)N 34a_100161106496_100000210303 [0,2,0,0,0,0|2,0,0]=4 20685 B13R1.74 CCCOc1ccc(cc1)[N+](=O)[O-] 34a_100000185810_100000210303 [0,2,0,0,0,0|2,0,0]=4 20686 B13R1.74 CCCOc1ccc(cc1)[N+](=O)[O-] 7a_100000185810_100000210303 [0,2,0,0,0,0|2,0,0]=4 20687 B13R1.74 CCCOc1ccc(cc1)[S+](C)C 34a_100010188728_100000210303 [0,2,0,0,0,0|2,0,0]=4 20688 B13R1.74 CCCOc1ccc(cc1)[S+](C)C 7a_100010188728_100000210303 [0,2,0,0,0,0|2,0,0]=4 20689 B13R1.74 CN(C)c1ccc(cc1)NCCO 34a_100016997997_100000211926 [0,2,0,0,0,0|2,0,0]=4 20690 B13R1.74 CN(C)c1ccc(cc1)OCCF 34a_100000718910_100011217306 [0,2,0,0,0,0|2,0,0]=4 20691 B13R1.74 CN(C)c1ccc(cc1)OCCO 34a_100000718910_100000211926 [0,2,0,0,0,0|1,0,0]=3 20692 B13R1.74 CN(C)c1ccc(cc1)SCCO 62a_100000210421_100000211926 [0,2,0,0,0,0|1,1,0]=4 20693 B13R1.74 CN(C)c1ccc(cc1)SCCO 62a_100000211926_100000210421 [0,2,0,0,0,0|1,1,0]=4 20694 B13R1.74 CS(=O)c1ccc(cc1)OCCF 34a_200000064373_100011217306 [0,2,0,0,0,0|2,0,0]=4 20695 B13R1.74 CS(=O)c1ccc(cc1)OCCF 7a_200000064373_100011217306 [0,2,0,0,0,0|2,0,0]=4 20696 B13R1.74 CS(=O)c1ccc(cc1)OCCO 34a_200000064373_100000211926 [0,2,0,0,0,0|1,0,0]=3 20697 B13R1.74 CS(=O)c1ccc(cc1)OCCO 7a_200000064373_100000211926 [0,2,0,0,0,0|1,0,0]=3 20698 B13R1.74 CS(=O)c1ccc(cc1)SCCO 62a_100009816266_100000211926 [0,2,0,0,0,0|1,1,0]=4 20699 B13R1.74 C[C@@H](N)c1ccc(cc1)SCCO 62a_100000211926_100000720352 [0,2,0,0,0,0|1,1,0]=4 20700 B13R1.74 C[C@@H](N)c1ccc(cc1)SCCO 62a_100000720352_100000211926 [0,2,0,0,0,0|1,1,0]=4 20701 B13R1.74 C[C@H](N)c1ccc(cc1)OCCF 34a_100161106496_100011217306 [0,2,0,0,0,0|2,0,0]=4 20702 B13R1.74 C[C@H](N)c1ccc(cc1)OCCO 34a_100161106496_100000211926 [0,2,0,0,0,0|1,0,0]=3 20703 B13R1.74 C[C@H](N)c1ccc(cc1)SCCO 62a_100000211926_100000753911 [0,2,0,0,0,0|1,1,0]=4 20704 B13R1.74 C[C@H](N)c1ccc(cc1)SCCO 62a_100000753911_100000211926 [0,2,0,0,0,0|1,1,0]=4 20705 B13R1.74 C[S+](C)c1ccc(cc1)OCCF 34a_100010188728_100011217306 [0,2,0,0,0,0|2,0,0]=4 20706 B13R1.74 C[S+](C)c1ccc(cc1)OCCF 7a_100010188728_100011217306 [0,2,0,0,0,0|2,0,0]=4 20707 B13R1.74 C[S+](C)c1ccc(cc1)OCCO 34a_100010188728_100000211926 [0,2,0,0,0,0|1,0,0]=3 20708 B13R1.74 C[S+](C)c1ccc(cc1)OCCO 7a_100010188728_100000211926 [0,2,0,0,0,0|1,0,0]=3 20709 B13R1.74 NC(=O)c1ccc(cc1)NCCO 27a_100000210304_100000162191 [0,2,0,0,0,0|2,0,0]=4 20710 B13R1.74 NC(=O)c1ccc(cc1)NCCO 34a_100000210537_100000211926 [0,2,0,0,0,0|2,0,0]=4 20711 B13R1.74 NC(=O)c1ccc(cc1)OCCF 34a_100000746352_100011217306 [0,2,0,0,0,0|2,0,0]=4 20712 B13R1.74 NC(=O)c1ccc(cc1)OCCF 7a_100000746352_100011217306 [0,2,0,0,0,0|2,0,0]=4 20713 B13R1.74 NC(=O)c1ccc(cc1)OCCO 34a_100000746352_100000211926 [0,2,0,0,0,0|1,0,0]=3 20714 B13R1.74 NC(=O)c1ccc(cc1)OCCO 7a_100000746352_100000211926 [0,2,0,0,0,0|1,0,0]=3 20715 B13R1.74 NC(=O)c1ccc(cc1)SCCO 62a_100000162191_100000211926 [0,2,0,0,0,0|1,1,0]=4 20716 B13R1.74 NC(=O)c1ccc(cc1)SCCO 62a_100000211926_100000162191 [0,2,0,0,0,0|1,1,0]=4 20717 B13R1.74 O=[N+]([O-])c1ccc(cc1)NCCO 2230a_100015195142_100000211926 [0,2,0,0,0,0|2,0,0]=4 20718 B13R1.74 O=[N+]([O-])c1ccc(cc1)NCCO 34a_100015195142_100000211926 [0,2,0,0,0,0|2,0,0]=4 20719 B13R1.74 O=[N+]([O-])c1ccc(cc1)OCCF 34a_100000185810_100011217306 [0,2,0,0,0,0|2,0,0]=4 20720 B13R1.74 O=[N+]([O-])c1ccc(cc1)OCCF 7a_100000185810_100011217306 [0,2,0,0,0,0|2,0,0]=4 20721 B13R1.74 O=[N+]([O-])c1ccc(cc1)OCCO 34a_100000185810_100000211926 [0,2,0,0,0,0|1,0,0]=3 20722 B13R1.74 O=[N+]([O-])c1ccc(cc1)OCCO 7a_100000185810_100000211926 [0,2,0,0,0,0|1,0,0]=3 20723 B13R1.74 O=[N+]([O-])c1ccc(cn1)OCCO 7a_100000060138_100000211926 [0,2,0,0,0,0|2,0,0]=4 20724 B13R1.74 OCCNc1ccc(cc1)C(F)F 34a_100020620101_100000211926 [0,2,0,0,0,0|1,1,0]=4 20725 B13R1.74 OCCNc1ccc(cc1)C(F)F 7a_100020620101_100000211926 [0,2,0,0,0,0|1,1,0]=4 20726 B13R1.74 OCCSc1ccc(cc1)B(O)O 62a_100000211926_100000754493 [0,2,0,0,0,0|1,1,0]=4 20727 B13R1.74 OCCSc1ccc(cc1)B(O)O 62a_100000754493_100000211926 [0,2,0,0,0,0|1,1,0]=4 20728 B13R1.74 OCCSc1ccc(cc1)C(F)F 62a_100000211926_100000687661 [0,2,0,0,0,0|0,2,0]=4 20729 B13R1.74 OCCSc1ccc(cc1)C(F)F 62a_100000687661_100000211926 [0,2,0,0,0,0|0,2,0]=4 20730 B13R1.74 [13CH3]C(=O)c1ccc(cc1)OCCO 1458a_100000217286_200025704644 [0,2,0,0,0,0|1,0,0]=3 20731 B13R1.74 [13CH3]C(=O)c1ccc(cc1)SCCO 1458a_200000182347_200025704644 [0,2,0,0,0,0|1,1,0]=4 20732 B13R1.77 C/C=C/c1ccc(cc1)SCCO 62a_100000211926_100016259036 [0,2,0,0,0,0|1,1,0]=4 20733 B13R1.77 C/C=C/c1ccc(cc1)SCCO 62a_100016259036_100000211926 [0,2,0,0,0,0|1,1,0]=4 20734 B13R1.77 C=C=Cc1ccc(cc1)CCCO 271570a_100015277604_100011709247 [0,2,0,0,0,0|2,0,0]=4 20735 B13R1.77 C=C=Cc1ccc(cc1)OCCC 271570a_100015277604_100000169948 [0,2,0,0,0,0|2,0,0]=4 20736 B13R1.77 C=C=Cc1ccc(cc1)OCCF 271570a_100015277604_100012347556 [0,2,0,0,0,0|2,0,0]=4 20737 B13R1.77 C=C=Cc1ccc(cc1)OCCN 271570a_100015277604_100000746992 [0,2,0,0,0,0|2,0,0]=4 20738 B13R1.77 C=C=Cc1ccc(cc1)OCCO 271570a_100015277604_100000686261 [0,2,0,0,0,0|1,0,0]=3 20739 B13R1.77 C=C=Cc1ccc(cn1)OCCO 271570a_100015277604_200013150534 [0,2,0,0,0,0|2,0,0]=4 20740 B13R1.77 C=CCc1ccc(cc1)OCCC 34a_100000078792_100000210303 [0,2,0,0,0,0|2,0,0]=4 20741 B13R1.77 C=CCc1ccc(cc1)OCCC 7a_100000078792_100000210303 [0,2,0,0,0,0|2,0,0]=4 20742 B13R1.77 C=CCc1ccc(cc1)OCCF 34a_100000078792_100011217306 [0,2,0,0,0,0|2,0,0]=4 20743 B13R1.77 C=CCc1ccc(cc1)OCCF 7a_100000078792_100011217306 [0,2,0,0,0,0|2,0,0]=4 20744 B13R1.77 C=CCc1ccc(cc1)OCCO 34a_100000078792_100000211926 [0,2,0,0,0,0|1,0,0]=3 20745 B13R1.77 C=CCc1ccc(cc1)OCCO 7a_100000078792_100000211926 [0,2,0,0,0,0|1,0,0]=3 20746 B13R1.77 C=COc1ccc(cc1)SCCO 62a_100000211926_100000704263 [0,2,0,0,0,0|1,1,0]=4 20747 B13R1.77 C=COc1ccc(cc1)SCCO 62a_100000704263_100000211926 [0,2,0,0,0,0|1,1,0]=4 20748 B13R1.77 CC=Cc1ccc(cc1)CCCO 271570a_100016259895_100011709247 [0,2,0,0,0,0|2,0,0]=4 20749 B13R1.77 CC=Cc1ccc(cc1)OCCC 271570a_100016259895_100000169948 [0,2,0,0,0,0|2,0,0]=4 20750 B13R1.77 CC=Cc1ccc(cc1)OCCF 271570a_100016259895_100012347556 [0,2,0,0,0,0|2,0,0]=4 20751 B13R1.77 CC=Cc1ccc(cc1)OCCN 271570a_100016259895_100000746992 [0,2,0,0,0,0|2,0,0]=4 20752 B13R1.77 CC=Cc1ccc(cc1)OCCO 271570a_100016259895_100000686261 [0,2,0,0,0,0|1,0,0]=3 20753 B13R1.77 CC=Cc1ccc(cn1)OCCO 271570a_100016259895_200013150534 [0,2,0,0,0,0|2,0,0]=4 20754 B13R1.77 CCCOc1ccc(cc1)CC#N 34a_100000198970_100000210303 [0,2,0,0,0,0|2,0,0]=4 20755 B13R1.77 CCCOc1ccc(cc1)CC#N 7a_100000198970_100000210303 [0,2,0,0,0,0|2,0,0]=4 20756 B13R1.77 CCCOc1ccc(cc1)CCBr 34a_100009816426_100000210303 [0,2,0,0,0,0|1,1,0]=4 20757 B13R1.77 CCCOc1ccc(cc1)CCBr 7a_100009816426_100000210303 [0,2,0,0,0,0|1,1,0]=4 20758 B13R1.77 CCCOc1ccc(cc1)CCC 34a_100000749406_100000210303 [0,2,0,0,0,0|2,0,0]=4 20759 B13R1.77 CCCOc1ccc(cc1)CCC 7a_100000749406_100000210303 [0,2,0,0,0,0|2,0,0]=4 20760 B13R1.77 CCCOc1ccc(cc1)CCN 34a_100000743037_100000210303 [0,2,0,0,0,0|2,0,0]=4 20761 B13R1.77 CCCOc1ccc(cc1)CCO 34a_100011215338_100000210303 [0,2,0,0,0,0|2,0,0]=4 20762 B13R1.77 CCCOc1ccc(cc1)CCO 7a_100011215338_100000210303 [0,2,0,0,0,0|2,0,0]=4 20763 B13R1.77 CCCOc1ccc(cc1)CNC 207a_100102657272_100000169838 [0,2,0,0,0,0|2,0,0]=4 20764 B13R1.77 CCCOc1ccc(cc1)CNC 2230a_106832991635_100000691472 [0,2,0,0,0,0|2,0,0]=4 20765 B13R1.77 CCCOc1ccc(cc1)CNC 270004a_106832991635_100000169838 [0,2,0,0,0,0|2,0,0]=4 20766 B13R1.77 CCCOc1ccc(cc1)CNC 34a_100000207500_100000210303 [0,2,0,0,0,0|2,0,0]=4 20767 B13R1.77 CCCOc1ccc(cc1)CNC 34a_100102657272_100000691472 [0,2,0,0,0,0|2,0,0]=4 20768 B13R1.77 CCCOc1ccc(cc1)CNC 7a_106832991635_100000691472 [0,2,0,0,0,0|2,0,0]=4 20769 B13R1.77 CCCOc1ccc(cc1)COC 34a_100000173360_200000210301 [0,2,0,0,0,0|2,0,0]=4 20770 B13R1.77 CCCOc1ccc(cc1)COC 34a_100138415774_100000691472 [0,2,0,0,0,0|2,0,0]=4 20771 B13R1.77 CCCOc1ccc(cc1)COC 34a_200011995677_100000210303 [0,2,0,0,0,0|2,0,0]=4 20772 B13R1.77 CCCOc1ccc(cc1)COC 7a_100000173360_200000210301 [0,2,0,0,0,0|2,0,0]=4 20773 B13R1.77 CCCOc1ccc(cc1)COC 7a_200011995677_100000210303 [0,2,0,0,0,0|2,0,0]=4 20774 B13R1.77 CCCOc1ccc(cc1)CO[13CH3] 34a_100000173360_200025704644 [0,2,0,0,0,0|2,0,0]=4 20775 B13R1.77 CCCOc1ccc(cc1)CO[13CH3] 7a_100000173360_200025704644 [0,2,0,0,0,0|2,0,0]=4 20776 B13R1.77 CCCOc1ccc(cc1)CSC 62a_200000210301_100000691472 [0,2,0,0,0,0|2,0,0]=4 20777 B13R1.77 CCCOc1ccc(cc1)CS[13CH3] 62a_200025704644_100000691472 [0,2,0,0,0,0|2,0,0]=4 20778 B13R1.77 CCCOc1ccc(cc1)NCC 34a_100000748631_100000210202 [0,2,0,0,0,0|2,0,0]=4 20779 B13R1.77 CCCOc1ccc(cc1)NCC 34a_100011337800_100000210303 [0,2,0,0,0,0|2,0,0]=4 20780 B13R1.77 CCCOc1ccc(cc1)NCC 7a_100011337800_100000210303 [0,2,0,0,0,0|2,0,0]=4 20781 B13R1.77 CCCOc1ccc(cc1)NCF 34a_100000748631_100015361967 [0,2,0,0,0,0|1,1,0]=4 20782 B13R1.77 CCCOc1ccc(cc1)OCC 34a_100000185467_100000210303 [0,2,0,0,0,0|2,0,0]=4 20783 B13R1.77 CCCOc1ccc(cc1)OCC 34a_100000185468_100000210202 [0,2,0,0,0,0|2,0,0]=4 20784 B13R1.77 CCCOc1ccc(cc1)OCC 7a_100000185468_100000210202 [0,2,0,0,0,0|2,0,0]=4 20785 B13R1.77 CCCOc1ccc(cc1)OCF 34a_100000185468_100015361967 [0,2,0,0,0,0|1,1,0]=4 20786 B13R1.77 CCCOc1ccc(cc1)OCF 7a_100000185468_100015361967 [0,2,0,0,0,0|1,1,0]=4 20787 B13R1.77 CCCOc1ccc(cc1)SCC 62a_100000169948_100000210202 [0,2,0,0,0,0|2,0,0]=4 20788 B13R1.77 CCCOc1ccc(cc1)SCC 62a_100000210202_100000169948 [0,2,0,0,0,0|2,0,0]=4 20789 B13R1.77 CCCOc1ccc(cc1)SCF 62a_100000169948_100015361967 [0,2,0,0,0,0|1,1,0]=4 20790 B13R1.77 CCCOc1ccc(cc1)SCF 62a_100015361967_100000169948 [0,2,0,0,0,0|1,1,0]=4 20791 B13R1.77 CCCc1ccc(cc1)NCCO 2230a_100000211780_100000211926 [0,2,0,0,0,0|2,0,0]=4 20792 B13R1.77 CCCc1ccc(cc1)NCCO 34a_100000211780_100000211926 [0,2,0,0,0,0|2,0,0]=4 20793 B13R1.77 CCCc1ccc(cc1)OCCF 34a_100000749406_100011217306 [0,2,0,0,0,0|2,0,0]=4 20794 B13R1.77 CCCc1ccc(cc1)OCCF 7a_100000749406_100011217306 [0,2,0,0,0,0|2,0,0]=4 20795 B13R1.77 CCCc1ccc(cc1)OCCO 34a_100000749406_100000211926 [0,2,0,0,0,0|1,0,0]=3 20796 B13R1.77 CCCc1ccc(cc1)OCCO 7a_100000749406_100000211926 [0,2,0,0,0,0|1,0,0]=3 20797 B13R1.77 CCCc1ccc(cc1)SCCO 62a_100000211926_100000750032 [0,2,0,0,0,0|1,1,0]=4 20798 B13R1.77 CCCc1ccc(cc1)SCCO 62a_100000750032_100000211926 [0,2,0,0,0,0|1,1,0]=4 20799 B13R1.77 CCNc1ccc(cc1)OCCF 34a_100011337800_100011217306 [0,2,0,0,0,0|2,0,0]=4 20800 B13R1.77 CCNc1ccc(cc1)OCCF 34a_100012282086_100000210202 [0,2,0,0,0,0|2,0,0]=4 20801 B13R1.77 CCNc1ccc(cc1)OCCF 7a_100011337800_100011217306 [0,2,0,0,0,0|2,0,0]=4 20802 B13R1.77 CCNc1ccc(cc1)OCCO 2230a_100000754363_100000210202 [0,2,0,0,0,0|1,0,0]=3 20803 B13R1.77 CCNc1ccc(cc1)OCCO 34a_100000754363_100000210202 [0,2,0,0,0,0|1,0,0]=3 20804 B13R1.77 CCNc1ccc(cc1)OCCO 34a_100011337800_100000211926 [0,2,0,0,0,0|1,0,0]=3 20805 B13R1.77 CCNc1ccc(cc1)OCCO 7a_100011337800_100000211926 [0,2,0,0,0,0|1,0,0]=3 20806 B13R1.77 CCNc1ccc(cc1)SCCO 62a_100000211926_100000219632 [0,2,0,0,0,0|1,1,0]=4 20807 B13R1.77 CCOc1ccc(cc1)CCCO 34a_100011215268_100000210202 [0,2,0,0,0,0|2,0,0]=4 20808 B13R1.77 CCOc1ccc(cc1)CCCO 7a_100011215268_100000210202 [0,2,0,0,0,0|2,0,0]=4 20809 B13R1.77 CCOc1ccc(cc1)NCCO 2230a_100000739623_100000211926 [0,2,0,0,0,0|2,0,0]=4 20810 B13R1.77 CCOc1ccc(cc1)NCCO 34a_100000739623_100000211926 [0,2,0,0,0,0|2,0,0]=4 20811 B13R1.77 CCOc1ccc(cc1)OCCF 34a_100000185467_100011217306 [0,2,0,0,0,0|2,0,0]=4 20812 B13R1.77 CCOc1ccc(cc1)OCCO 34a_100000185467_100000211926 [0,2,0,0,0,0|1,0,0]=3 20813 B13R1.77 CCOc1ccc(cc1)SCCO 62a_100000211926_100000171712 [0,2,0,0,0,0|1,1,0]=4 20814 B13R1.77 CCSc1ccc(cc1)CCCO 62a_100000210202_100011709247 [0,2,0,0,0,0|2,0,0]=4 20815 B13R1.77 CCSc1ccc(cc1)CCCO 62a_100011709247_100000210202 [0,2,0,0,0,0|2,0,0]=4 20816 B13R1.77 CCSc1ccc(cc1)NCCO 34a_100015187087_100000211926 [0,2,0,0,0,0|2,0,0]=4 20817 B13R1.77 CCSc1ccc(cc1)OCCF 62a_100000210202_100012347556 [0,2,0,0,0,0|2,0,0]=4 20818 B13R1.77 CCSc1ccc(cc1)OCCF 62a_100012347556_100000210202 [0,2,0,0,0,0|2,0,0]=4 20819 B13R1.77 CCSc1ccc(cc1)OCCN 62a_100000210202_100000746992 [0,2,0,0,0,0|2,0,0]=4 20820 B13R1.77 CCSc1ccc(cc1)OCCN 62a_100000746992_100000210202 [0,2,0,0,0,0|2,0,0]=4 20821 B13R1.77 CCSc1ccc(cc1)OCCO 62a_100000210202_100000686261 [0,2,0,0,0,0|1,0,0]=3 20822 B13R1.77 CCSc1ccc(cc1)OCCO 62a_100000686261_100000210202 [0,2,0,0,0,0|1,0,0]=3 20823 B13R1.77 CCSc1ccc(cc1)SCCO 62a_100000211926_200009811893 [0,2,0,0,0,0|1,1,0]=4 20824 B13R1.77 CCSc1ccc(cc1)SCCO 62a_200009811893_100000211926 [0,2,0,0,0,0|1,1,0]=4 20825 B13R1.77 CCSc1ccc(cn1)OCCO 62a_100000210202_200013150534 [0,2,0,0,0,0|2,0,0]=4 20826 B13R1.77 CCSc1ccc(cn1)OCCO 62a_200013150534_100000210202 [0,2,0,0,0,0|2,0,0]=4 20827 B13R1.77 CNCc1ccc(cc1)CCCO 26a_100102657272_100011215268 [0,2,0,0,0,0|2,0,0]=4 20828 B13R1.77 CNCc1ccc(cc1)OCCF 34a_100000207500_100011217306 [0,2,0,0,0,0|2,0,0]=4 20829 B13R1.77 CNCc1ccc(cc1)OCCO 207a_100102657272_100011219967 [0,2,0,0,0,0|1,0,0]=3 20830 B13R1.77 CNCc1ccc(cc1)OCCO 270004a_106832991635_100011219967 [0,2,0,0,0,0|1,0,0]=3 20831 B13R1.77 CNCc1ccc(cc1)OCCO 34a_100000207500_100000211926 [0,2,0,0,0,0|1,0,0]=3 20832 B13R1.77 CNCc1ccc(cc1)SCCO 62a_100000180866_100000211926 [0,2,0,0,0,0|1,1,0]=4 20833 B13R1.77 CNCc1ccc(cc1)SCCO 62a_100000211926_100000180866 [0,2,0,0,0,0|1,1,0]=4 20834 B13R1.77 COCc1ccc(cc1)NCCO 34a_100000694113_100000211926 [0,2,0,0,0,0|2,0,0]=4 20835 B13R1.77 COCc1ccc(cc1)OCCF 34a_200011995677_100011217306 [0,2,0,0,0,0|2,0,0]=4 20836 B13R1.77 COCc1ccc(cc1)OCCF 7a_200011995677_100011217306 [0,2,0,0,0,0|2,0,0]=4 20837 B13R1.77 COCc1ccc(cc1)OCCO 34a_200011995677_100000211926 [0,2,0,0,0,0|1,0,0]=3 20838 B13R1.77 COCc1ccc(cc1)OCCO 7a_200011995677_100000211926 [0,2,0,0,0,0|1,0,0]=3 20839 B13R1.77 COCc1ccc(cc1)SCCO 62a_100000211926_100011493685 [0,2,0,0,0,0|1,1,0]=4 20840 B13R1.77 COCc1ccc(cc1)SCCO 62a_100011493685_100000211926 [0,2,0,0,0,0|1,1,0]=4 20841 B13R1.77 CSCc1ccc(cc1)NCCO 2230a_106726388226_100000211926 [0,2,0,0,0,0|2,0,0]=4 20842 B13R1.77 CSCc1ccc(cc1)NCCO 34a_106726388226_100000211926 [0,2,0,0,0,0|2,0,0]=4 20843 B13R1.77 CSCc1ccc(cc1)NCCO 7a_106726388226_100000211926 [0,2,0,0,0,0|2,0,0]=4 20844 B13R1.77 FCCOc1ccc(cc1)CCBr 34a_100009816426_100011217306 [0,2,0,0,0,0|1,1,0]=4 20845 B13R1.77 FCCOc1ccc(cc1)CCBr 7a_100009816426_100011217306 [0,2,0,0,0,0|1,1,0]=4 20846 B13R1.77 FCCOc1ccc(cc1)NCF 34a_100012282086_100015361967 [0,2,0,0,0,0|1,1,0]=4 20847 B13R1.77 FCCOc1ccc(cc1)SCF 62a_100012347556_100015361967 [0,2,0,0,0,0|1,1,0]=4 20848 B13R1.77 FCCOc1ccc(cc1)SCF 62a_100015361967_100012347556 [0,2,0,0,0,0|1,1,0]=4 20849 B13R1.77 N#CCc1ccc(cc1)NCCO 34a_100000198999_100000211926 [0,2,0,0,0,0|2,0,0]=4 20850 B13R1.77 N#CCc1ccc(cc1)OCCF 34a_100000198970_100011217306 [0,2,0,0,0,0|2,0,0]=4 20851 B13R1.77 N#CCc1ccc(cc1)OCCF 7a_100000198970_100011217306 [0,2,0,0,0,0|2,0,0]=4 20852 B13R1.77 N#CCc1ccc(cc1)OCCO 34a_100000198970_100000211926 [0,2,0,0,0,0|1,0,0]=3 20853 B13R1.77 N#CCc1ccc(cc1)OCCO 7a_100000198970_100000211926 [0,2,0,0,0,0|1,0,0]=3 20854 B13R1.77 N#CCc1ccc(cc1)SCCO 62a_100000211926_100011217881 [0,2,0,0,0,0|1,1,0]=4 20855 B13R1.77 N#CCc1ccc(cc1)SCCO 62a_100011217881_100000211926 [0,2,0,0,0,0|1,1,0]=4 20856 B13R1.77 N#CNc1ccc(cc1)SCCO 62a_100000211926_100011685341 [0,2,0,0,0,0|1,1,0]=4 20857 B13R1.77 NCCOc1ccc(cc1)SCF 62a_100000746992_100015361967 [0,2,0,0,0,0|1,1,0]=4 20858 B13R1.77 NCCOc1ccc(cc1)SCF 62a_100015361967_100000746992 [0,2,0,0,0,0|1,1,0]=4 20859 B13R1.77 NCCc1ccc(cc1)OCCF 34a_100000743037_100011217306 [0,2,0,0,0,0|2,0,0]=4 20860 B13R1.77 NCCc1ccc(cc1)OCCO 34a_100000743037_100000211926 [0,2,0,0,0,0|1,0,0]=3 20861 B13R1.77 NCCc1ccc(cc1)SCCO 62a_100000211926_100000755846 [0,2,0,0,0,0|1,1,0]=4 20862 B13R1.77 NCCc1ccc(cc1)SCCO 62a_100000755846_100000211926 [0,2,0,0,0,0|1,1,0]=4 20863 B13R1.77 NNCc1ccc(cc1)SCCO 62a_100000211926_100016993955 [0,2,0,0,0,0|1,1,0]=4 20864 B13R1.77 NNCc1ccc(cc1)SCCO 62a_100016993955_100000211926 [0,2,0,0,0,0|1,1,0]=4 20865 B13R1.77 O=CCc1ccc(cc1)SCCO 62a_100000211926_100011361690 [0,2,0,0,0,0|1,1,0]=4 20866 B13R1.77 O=CCc1ccc(cc1)SCCO 62a_100011361690_100000211926 [0,2,0,0,0,0|1,1,0]=4 20867 B13R1.77 OCCCc1ccc(cc1)OCF 34a_100011215268_100015361967 [0,2,0,0,0,0|1,1,0]=4 20868 B13R1.77 OCCCc1ccc(cc1)OCF 7a_100011215268_100015361967 [0,2,0,0,0,0|1,1,0]=4 20869 B13R1.77 OCCCc1ccc(cc1)SCF 62a_100011709247_100015361967 [0,2,0,0,0,0|1,1,0]=4 20870 B13R1.77 OCCCc1ccc(cc1)SCF 62a_100015361967_100011709247 [0,2,0,0,0,0|1,1,0]=4 20871 B13R1.77 OCCNc1ccc(cc1)CCO 2230a_100011204434_100000211926 [0,2,0,0,0,0|2,0,0]=4 20872 B13R1.77 OCCNc1ccc(cc1)CCO 34a_100011204434_100000211926 [0,2,0,0,0,0|2,0,0]=4 20873 B13R1.77 OCCOc1ccc(cc1)CCBr 34a_100009816426_100000211926 [0,2,0,0,0,0|0,1,0]=3 20874 B13R1.77 OCCOc1ccc(cc1)CCBr 7a_100009816426_100000211926 [0,2,0,0,0,0|0,1,0]=3 20875 B13R1.77 OCCOc1ccc(cc1)CCO 34a_100011215338_100000211926 [0,2,0,0,0,0|1,0,0]=3 20876 B13R1.77 OCCOc1ccc(cc1)CCO 7a_100011215338_100000211926 [0,2,0,0,0,0|1,0,0]=3 20877 B13R1.77 OCCOc1ccc(cc1)NCF 34a_100000754363_100015361967 [0,2,0,0,0,0|0,1,0]=3 20878 B13R1.77 OCCOc1ccc(cc1)SCF 62a_100000686261_100015361967 [0,2,0,0,0,0|0,1,0]=3 20879 B13R1.77 OCCOc1ccc(cc1)SCF 62a_100015361967_100000686261 [0,2,0,0,0,0|0,1,0]=3 20880 B13R1.77 OCCOc1ccc(nc1)SCF 62a_100015361967_200013150534 [0,2,0,0,0,0|1,1,0]=4 20881 B13R1.77 OCCOc1ccc(nc1)SCF 62a_200013150534_100015361967 [0,2,0,0,0,0|1,1,0]=4 20882 B13R1.77 OCCSc1ccc(cc1)/C=C/Br 62a_100000211926_200016255901 [0,2,0,0,0,0|0,2,0]=4 20883 B13R1.77 OCCSc1ccc(cc1)/C=C/Br 62a_200016255901_100000211926 [0,2,0,0,0,0|0,2,0]=4 20884 B13R1.77 OCCSc1ccc(cc1)CCO 62a_100000211926_100000766406 [0,2,0,0,0,0|1,1,0]=4 20885 B13R1.77 OCCSc1ccc(cc1)CCO 62a_100000766406_100000211926 [0,2,0,0,0,0|1,1,0]=4 20886 B13R1.77 OCCc1ccc(cc1)OCCF 34a_100011215338_100011217306 [0,2,0,0,0,0|2,0,0]=4 20887 B13R1.77 OCCc1ccc(cc1)OCCF 7a_100011215338_100011217306 [0,2,0,0,0,0|2,0,0]=4 20888 B13R1.77 [N-]=[N+]=Nc1ccc(cc1)NCCO 2230a_100000032754_100000211926 [0,2,0,0,0,0|2,0,0]=4 20889 B13R1.77 [N-]=[N+]=Nc1ccc(cc1)SCCO 62a_100000211926_100000735661 [0,2,0,0,0,0|1,1,0]=4 20890 B13R1.577 C#Cc1ccc(cc1Cl)NCCO 2230a_100012001888_100000211926 [0,2,0,0,0,0|2,0,0]=4 20891 B13R1.577 C#Cc1ccc(cc1Cl)NCCO 34a_100012001888_100000211926 [0,2,0,0,0,0|2,0,0]=4 20892 B13R1.577 C#Cc1ccc(cc1F)NCCO 2230a_100012001886_100000211926 [0,2,0,0,0,0|2,0,0]=4 20893 B13R1.577 C#Cc1ccc(cc1F)NCCO 34a_100012001886_100000211926 [0,2,0,0,0,0|2,0,0]=4 20894 B13R1.577 C=Cc1ccc(cc1C)OCCC 271570a_100011290941_200012361509 [0,2,0,0,0,0|2,0,0]=4 20895 B13R1.577 C=Cc1ccc(cc1F)OCCC 271570a_100011290941_200012236930 [0,2,0,0,0,0|2,0,0]=4 20896 B13R1.577 C=Cc1ccc(cc1F)SCCO 62a_100000211926_100011935271 [0,2,0,0,0,0|1,1,0]=4 20897 B13R1.577 C=Cc1ccc(cc1F)SCCO 62a_100011935271_100000211926 [0,2,0,0,0,0|1,1,0]=4 20898 B13R1.577 CCCOc1ccc(c(c1)Br)C#N 34a_100012184851_100000210303 [0,2,0,0,0,0|2,0,0]=4 20899 B13R1.577 CCCOc1ccc(c(c1)Br)C#N 7a_100012184851_100000210303 [0,2,0,0,0,0|2,0,0]=4 20900 B13R1.577 CCCOc1ccc(c(c1)Br)CO 34a_100010146404_100000210303 [0,2,0,0,0,0|2,0,0]=4 20901 B13R1.577 CCCOc1ccc(c(c1)Br)CO 7a_100010146404_100000210303 [0,2,0,0,0,0|2,0,0]=4 20902 B13R1.577 CCCOc1ccc(c(c1)Br)OC 34a_100010234764_100000210303 [0,2,0,0,0,0|2,0,0]=4 20903 B13R1.577 CCCOc1ccc(c(c1)Br)OC 7a_100010234764_100000210303 [0,2,0,0,0,0|2,0,0]=4 20904 B13R1.577 CCCOc1ccc(c(c1)C)C#N 34a_100000720286_100000210303 [0,2,0,0,0,0|2,0,0]=4 20905 B13R1.577 CCCOc1ccc(c(c1)C)C#N 7a_100000720286_100000210303 [0,2,0,0,0,0|2,0,0]=4 20906 B13R1.577 CCCOc1ccc(c(c1)C)NC 34a_100000743293_200000210301 [0,2,0,0,0,0|2,0,0]=4 20907 B13R1.577 CCCOc1ccc(c(c1)C)NC 34a_100161107805_100000210303 [0,2,0,0,0,0|2,0,0]=4 20908 B13R1.577 CCCOc1ccc(c(c1)C)NC 7a_100000743293_200000210301 [0,2,0,0,0,0|2,0,0]=4 20909 B13R1.577 CCCOc1ccc(c(c1)C)NC 7a_100161107805_100000210303 [0,2,0,0,0,0|2,0,0]=4 20910 B13R1.577 CCCOc1ccc(c(c1)C)N[13CH3] 34a_100000743293_200025704644 [0,2,0,0,0,0|2,0,0]=4 20911 B13R1.577 CCCOc1ccc(c(c1)C)N[13CH3] 7a_100000743293_200025704644 [0,2,0,0,0,0|2,0,0]=4 20912 B13R1.577 CCCOc1ccc(c(c1)C)OC 34a_100000759738_100000210303 [0,2,0,0,0,0|2,0,0]=4 20913 B13R1.577 CCCOc1ccc(c(c1)C)OC 7a_100000759738_100000210303 [0,2,0,0,0,0|2,0,0]=4 20914 B13R1.577 CCCOc1ccc(c(c1)C)SC 34a_100000030144_100000210303 [0,2,0,0,0,0|2,0,0]=4 20915 B13R1.577 CCCOc1ccc(c(c1)C)SC 62a_200000210301_200012361509 [0,2,0,0,0,0|2,0,0]=4 20916 B13R1.577 CCCOc1ccc(c(c1)C)SC 62a_200012361509_200000210301 [0,2,0,0,0,0|2,0,0]=4 20917 B13R1.577 CCCOc1ccc(c(c1)C)S[13CH3] 62a_200012361509_200025704644 [0,2,0,0,0,0|2,0,0]=4 20918 B13R1.577 CCCOc1ccc(c(c1)C)S[13CH3] 62a_200025704644_200012361509 [0,2,0,0,0,0|2,0,0]=4 20919 B13R1.577 CCCOc1ccc(c(c1)Cl)C#N 34a_100000716493_100000210303 [0,2,0,0,0,0|2,0,0]=4 20920 B13R1.577 CCCOc1ccc(c(c1)Cl)C#N 7a_100000716493_100000210303 [0,2,0,0,0,0|2,0,0]=4 20921 B13R1.577 CCCOc1ccc(c(c1)Cl)CC 34a_100009886192_100000210303 [0,2,0,0,0,0|2,0,0]=4 20922 B13R1.577 CCCOc1ccc(c(c1)Cl)CC 7a_100009886192_100000210303 [0,2,0,0,0,0|2,0,0]=4 20923 B13R1.577 CCCOc1ccc(c(c1)Cl)CN 34a_200161156549_100000210303 [0,2,0,0,0,0|2,0,0]=4 20924 B13R1.577 CCCOc1ccc(c(c1)Cl)CO 34a_200000075811_100000210303 [0,2,0,0,0,0|2,0,0]=4 20925 B13R1.577 CCCOc1ccc(c(c1)Cl)CO 7a_200000075811_100000210303 [0,2,0,0,0,0|2,0,0]=4 20926 B13R1.577 CCCOc1ccc(c(c1)Cl)OC 34a_200009861682_100000210303 [0,2,0,0,0,0|2,0,0]=4 20927 B13R1.577 CCCOc1ccc(c(c1)Cl)OC 7a_200009861682_100000210303 [0,2,0,0,0,0|2,0,0]=4 20928 B13R1.577 CCCOc1ccc(c(c1)F)C#N 34a_100000753931_100000210303 [0,2,0,0,0,0|2,0,0]=4 20929 B13R1.577 CCCOc1ccc(c(c1)F)C#N 7a_100000753931_100000210303 [0,2,0,0,0,0|2,0,0]=4 20930 B13R1.577 CCCOc1ccc(c(c1)F)CO 34a_100000084598_100000210303 [0,2,0,0,0,0|2,0,0]=4 20931 B13R1.577 CCCOc1ccc(c(c1)F)CO 7a_100000084598_100000210303 [0,2,0,0,0,0|2,0,0]=4 20932 B13R1.577 CCCOc1ccc(c(c1)F)OC 34a_100000746305_100000210303 [0,2,0,0,0,0|2,0,0]=4 20933 B13R1.577 CCCOc1ccc(c(c1)F)OC 7a_100000746305_100000210303 [0,2,0,0,0,0|2,0,0]=4 20934 B13R1.577 CCCOc1ccc(c(c1)F)SC 62a_200000210301_200012236930 [0,2,0,0,0,0|2,0,0]=4 20935 B13R1.577 CCCOc1ccc(c(c1)F)SC 62a_200012236930_200000210301 [0,2,0,0,0,0|2,0,0]=4 20936 B13R1.577 CCCOc1ccc(c(c1)F)S[13CH3] 62a_200012236930_200025704644 [0,2,0,0,0,0|2,0,0]=4 20937 B13R1.577 CCCOc1ccc(c(c1)F)S[13CH3] 62a_200025704644_200012236930 [0,2,0,0,0,0|2,0,0]=4 20938 B13R1.577 CCCOc1ccc(c(c1)I)OC 34a_100010084122_100000210303 [0,2,0,0,0,0|2,0,0]=4 20939 B13R1.577 CCCOc1ccc(c(c1)I)OC 7a_100010084122_100000210303 [0,2,0,0,0,0|2,0,0]=4 20940 B13R1.577 CCc1ccc(cc1Cl)NCCO 2230a_100000766362_100000211926 [0,2,0,0,0,0|2,0,0]=4 20941 B13R1.577 CCc1ccc(cc1Cl)NCCO 34a_100000766362_100000211926 [0,2,0,0,0,0|2,0,0]=4 20942 B13R1.577 CCc1ccc(cc1Cl)NCCO 7a_100000766362_100000211926 [0,2,0,0,0,0|2,0,0]=4 20943 B13R1.577 CCc1ccc(cc1Cl)OCCF 34a_100009886192_100011217306 [0,2,0,0,0,0|2,0,0]=4 20944 B13R1.577 CCc1ccc(cc1Cl)OCCF 7a_100009886192_100011217306 [0,2,0,0,0,0|2,0,0]=4 20945 B13R1.577 CCc1ccc(cc1Cl)OCCO 34a_100009886192_100000211926 [0,2,0,0,0,0|1,0,0]=3 20946 B13R1.577 CCc1ccc(cc1Cl)OCCO 7a_100009886192_100000211926 [0,2,0,0,0,0|1,0,0]=3 20947 B13R1.577 CCc1ccc(cc1F)SCCO 62a_100000211926_200010071577 [0,2,0,0,0,0|1,1,0]=4 20948 B13R1.577 CCc1ccc(cc1F)SCCO 62a_200010071577_100000211926 [0,2,0,0,0,0|1,1,0]=4 20949 B13R1.577 CCc1ccc(cc1N)SCCO 62a_100000211926_100012354963 [0,2,0,0,0,0|1,1,0]=4 20950 B13R1.577 CCc1ccc(cc1N)SCCO 62a_100012354963_100000211926 [0,2,0,0,0,0|1,1,0]=4 20951 B13R1.577 CNc1ccc(cc1C)OCCF 34a_100161107805_100011217306 [0,2,0,0,0,0|2,0,0]=4 20952 B13R1.577 CNc1ccc(cc1C)OCCF 7a_100161107805_100011217306 [0,2,0,0,0,0|2,0,0]=4 20953 B13R1.577 CNc1ccc(cc1C)OCCO 34a_100161107805_100000211926 [0,2,0,0,0,0|1,0,0]=3 20954 B13R1.577 CNc1ccc(cc1C)OCCO 7a_100161107805_100000211926 [0,2,0,0,0,0|1,0,0]=3 20955 B13R1.577 CNc1ccc(cc1C)SCCO 62a_100000211926_100000221803 [0,2,0,0,0,0|1,1,0]=4 20956 B13R1.577 CNc1ccc(cc1C)SCCO 62a_100000221803_100000211926 [0,2,0,0,0,0|1,1,0]=4 20957 B13R1.577 CNc1ccc(cc1F)SCCO 62a_100000211926_100000743884 [0,2,0,0,0,0|1,1,0]=4 20958 B13R1.577 CNc1ccc(cc1F)SCCO 62a_100000743884_100000211926 [0,2,0,0,0,0|1,1,0]=4 20959 B13R1.577 CNc1ccc(cc1N)SCCO 62a_100000741790_100000211926 [0,2,0,0,0,0|1,1,0]=4 20960 B13R1.577 COc1ccc(cc1Br)NCCO 34a_100000187427_100000211926 [0,2,0,0,0,0|2,0,0]=4 20961 B13R1.577 COc1ccc(cc1Br)OCCF 34a_100010234764_100011217306 [0,2,0,0,0,0|2,0,0]=4 20962 B13R1.577 COc1ccc(cc1Br)OCCF 7a_100010234764_100011217306 [0,2,0,0,0,0|2,0,0]=4 20963 B13R1.577 COc1ccc(cc1Br)OCCO 34a_100010234764_100000211926 [0,2,0,0,0,0|1,0,0]=3 20964 B13R1.577 COc1ccc(cc1Br)OCCO 7a_100010234764_100000211926 [0,2,0,0,0,0|1,0,0]=3 20965 B13R1.577 COc1ccc(cc1Br)SCCO 62a_100000211926_100011249507 [0,2,0,0,0,0|1,1,0]=4 20966 B13R1.577 COc1ccc(cc1Br)SCCO 62a_100011249507_100000211926 [0,2,0,0,0,0|1,1,0]=4 20967 B13R1.577 COc1ccc(cc1C)NCCO 2230a_100000743268_100000211926 [0,2,0,0,0,0|2,0,0]=4 20968 B13R1.577 COc1ccc(cc1C)NCCO 34a_100000743268_100000211926 [0,2,0,0,0,0|2,0,0]=4 20969 B13R1.577 COc1ccc(cc1C)NCCO 7a_100000743268_100000211926 [0,2,0,0,0,0|2,0,0]=4 20970 B13R1.577 COc1ccc(cc1C)OCCF 34a_100000759738_100011217306 [0,2,0,0,0,0|2,0,0]=4 20971 B13R1.577 COc1ccc(cc1C)OCCF 7a_100000759738_100011217306 [0,2,0,0,0,0|2,0,0]=4 20972 B13R1.577 COc1ccc(cc1C)OCCO 34a_100000759738_100000211926 [0,2,0,0,0,0|1,0,0]=3 20973 B13R1.577 COc1ccc(cc1C)OCCO 7a_100000759738_100000211926 [0,2,0,0,0,0|1,0,0]=3 20974 B13R1.577 COc1ccc(cc1C)SCCO 62a_100000211926_100011219705 [0,2,0,0,0,0|1,1,0]=4 20975 B13R1.577 COc1ccc(cc1C)SCCO 62a_100011219705_100000211926 [0,2,0,0,0,0|1,1,0]=4 20976 B13R1.577 COc1ccc(cc1Cl)NCCO 2230a_100000211044_100000211926 [0,2,0,0,0,0|2,0,0]=4 20977 B13R1.577 COc1ccc(cc1Cl)NCCO 34a_100000211044_100000211926 [0,2,0,0,0,0|2,0,0]=4 20978 B13R1.577 COc1ccc(cc1Cl)OCCF 34a_200009861682_100011217306 [0,2,0,0,0,0|2,0,0]=4 20979 B13R1.577 COc1ccc(cc1Cl)OCCF 7a_200009861682_100011217306 [0,2,0,0,0,0|2,0,0]=4 20980 B13R1.577 COc1ccc(cc1Cl)OCCO 34a_200009861682_100000211926 [0,2,0,0,0,0|1,0,0]=3 20981 B13R1.577 COc1ccc(cc1Cl)OCCO 7a_200009861682_100000211926 [0,2,0,0,0,0|1,0,0]=3 20982 B13R1.577 COc1ccc(cc1Cl)SCCO 62a_100000211926_100012355395 [0,2,0,0,0,0|1,1,0]=4 20983 B13R1.577 COc1ccc(cc1Cl)SCCO 62a_100012355395_100000211926 [0,2,0,0,0,0|1,1,0]=4 20984 B13R1.577 COc1ccc(cc1F)NCCO 2230a_100000740183_100000211926 [0,2,0,0,0,0|2,0,0]=4 20985 B13R1.577 COc1ccc(cc1F)NCCO 34a_100000740183_100000211926 [0,2,0,0,0,0|2,0,0]=4 20986 B13R1.577 COc1ccc(cc1F)OCCF 34a_100000746305_100011217306 [0,2,0,0,0,0|2,0,0]=4 20987 B13R1.577 COc1ccc(cc1F)OCCF 7a_100000746305_100011217306 [0,2,0,0,0,0|2,0,0]=4 20988 B13R1.577 COc1ccc(cc1F)OCCO 34a_100000746305_100000211926 [0,2,0,0,0,0|1,0,0]=3 20989 B13R1.577 COc1ccc(cc1F)OCCO 7a_100000746305_100000211926 [0,2,0,0,0,0|1,0,0]=3 20990 B13R1.577 COc1ccc(cc1F)SCCO 62a_100000171752_100000211926 [0,2,0,0,0,0|1,1,0]=4 20991 B13R1.577 COc1ccc(cc1F)SCCO 62a_100000211926_100000171752 [0,2,0,0,0,0|1,1,0]=4 20992 B13R1.577 COc1ccc(cc1I)NCCO 34a_100011356947_100000211926 [0,2,0,0,0,0|2,0,0]=4 20993 B13R1.577 COc1ccc(cc1I)OCCF 34a_100010084122_100011217306 [0,2,0,0,0,0|2,0,0]=4 20994 B13R1.577 COc1ccc(cc1I)OCCF 7a_100010084122_100011217306 [0,2,0,0,0,0|2,0,0]=4 20995 B13R1.577 COc1ccc(cc1I)OCCO 34a_100010084122_100000211926 [0,2,0,0,0,0|1,0,0]=3 20996 B13R1.577 COc1ccc(cc1I)OCCO 7a_100010084122_100000211926 [0,2,0,0,0,0|1,0,0]=3 20997 B13R1.577 COc1ccc(cc1N)SCCO 62a_100000211926_100011249504 [0,2,0,0,0,0|1,1,0]=4 20998 B13R1.577 COc1ccc(cc1N)SCCO 62a_100011249504_100000211926 [0,2,0,0,0,0|1,1,0]=4 20999 B13R1.577 COc1ccc(cc1O)NCCO 34a_100000211920_100000211926 [0,2,0,0,0,0|2,0,0]=4 21000 B13R1.577 COc1ccc(cc1O)SCCO 62a_100000211926_100009816560 [0,2,0,0,0,0|1,1,0]=4 21001 B13R1.577 CSc1ccc(cc1C)OCCF 34a_100000030144_100011217306 [0,2,0,0,0,0|2,0,0]=4 21002 B13R1.577 CSc1ccc(cc1C)OCCO 34a_100000030144_100000211926 [0,2,0,0,0,0|1,0,0]=3 21003 B13R1.577 CSc1ccc(cc1Cl)SCCO 62a_100000211926_206447510565 [0,2,0,0,0,0|1,1,0]=4 21004 B13R1.577 CSc1ccc(cc1Cl)SCCO 62a_206447510565_100000211926 [0,2,0,0,0,0|1,1,0]=4 21005 B13R1.577 CSc1ccc(cc1F)NCCO 2230a_100000762756_100000211926 [0,2,0,0,0,0|2,0,0]=4 21006 B13R1.577 CSc1ccc(cc1F)NCCO 34a_100000762756_100000211926 [0,2,0,0,0,0|2,0,0]=4 21007 B13R1.577 CSc1ccc(cc1F)SCCO 62a_100000211926_100010161220 [0,2,0,0,0,0|1,1,0]=4 21008 B13R1.577 CSc1ccc(cc1F)SCCO 62a_100010161220_100000211926 [0,2,0,0,0,0|1,1,0]=4 21009 B13R1.577 Cc1cc(ccc1C#N)NCCO 34a_100011999795_100000211926 [0,2,0,0,0,0|2,0,0]=4 21010 B13R1.577 Cc1cc(ccc1C#N)NCCO 7a_100011999795_100000211926 [0,2,0,0,0,0|2,0,0]=4 21011 B13R1.577 Cc1cc(ccc1C#N)OCCF 34a_100000720286_100011217306 [0,2,0,0,0,0|2,0,0]=4 21012 B13R1.577 Cc1cc(ccc1C#N)OCCF 7a_100000720286_100011217306 [0,2,0,0,0,0|2,0,0]=4 21013 B13R1.577 Cc1cc(ccc1C#N)OCCO 34a_100000720286_100000211926 [0,2,0,0,0,0|1,0,0]=3 21014 B13R1.577 Cc1cc(ccc1C#N)OCCO 7a_100000720286_100000211926 [0,2,0,0,0,0|1,0,0]=3 21015 B13R1.577 Cc1cc(ccc1C#N)SCCO 62a_100000211926_100000687762 [0,2,0,0,0,0|1,1,0]=4 21016 B13R1.577 Cc1cc(ccc1C=O)SCCO 62a_100000211926_100000766358 [0,2,0,0,0,0|1,1,0]=4 21017 B13R1.577 Cc1cc(ccc1C=O)SCCO 62a_100000766358_100000211926 [0,2,0,0,0,0|1,1,0]=4 21018 B13R1.577 Cc1cc(ccc1CF)SCCO 62a_100000211926_200010711859 [0,2,0,0,0,0|0,2,0]=4 21019 B13R1.577 Cc1cc(ccc1CF)SCCO 62a_200010711859_100000211926 [0,2,0,0,0,0|0,2,0]=4 21020 B13R1.577 Cc1cc(ccc1CN)SCCO 62a_100000211926_100000753881 [0,2,0,0,0,0|1,1,0]=4 21021 B13R1.577 Cc1cc(ccc1CN)SCCO 62a_100000753881_100000211926 [0,2,0,0,0,0|1,1,0]=4 21022 B13R1.577 Cc1cc(ccc1CO)NCCO 34a_100000102464_100000211926 [0,2,0,0,0,0|2,0,0]=4 21023 B13R1.577 Cc1cc(ccc1CO)SCCO 62a_100000211926_100000748258 [0,2,0,0,0,0|1,1,0]=4 21024 B13R1.577 Cc1cc(ccc1CO)SCCO 62a_100000748258_100000211926 [0,2,0,0,0,0|1,1,0]=4 21025 B13R1.577 Cc1cc(ccc1NN)SCCO 62a_100000211926_100000751375 [0,2,0,0,0,0|1,1,0]=4 21026 B13R1.577 Cc1cc(ccc1NN)SCCO 62a_100000751375_100000211926 [0,2,0,0,0,0|1,1,0]=4 21027 B13R1.577 N#Cc1ccc(cc1Br)NCCO 27a_100000210304_100012349582 [0,2,0,0,0,0|2,0,0]=4 21028 B13R1.577 N#Cc1ccc(cc1Br)NCCO 34a_100000689153_100000211926 [0,2,0,0,0,0|2,0,0]=4 21029 B13R1.577 N#Cc1ccc(cc1Br)NCCO 7a_100000689153_100000211926 [0,2,0,0,0,0|2,0,0]=4 21030 B13R1.577 N#Cc1ccc(cc1Br)OCCF 34a_100012184851_100011217306 [0,2,0,0,0,0|2,0,0]=4 21031 B13R1.577 N#Cc1ccc(cc1Br)OCCF 7a_100012184851_100011217306 [0,2,0,0,0,0|2,0,0]=4 21032 B13R1.577 N#Cc1ccc(cc1Br)OCCO 34a_100012184851_100000211926 [0,2,0,0,0,0|1,0,0]=3 21033 B13R1.577 N#Cc1ccc(cc1Br)OCCO 7a_100012184851_100000211926 [0,2,0,0,0,0|1,0,0]=3 21034 B13R1.577 N#Cc1ccc(cc1Br)SCCO 62a_100000211926_100012349582 [0,2,0,0,0,0|1,1,0]=4 21035 B13R1.577 N#Cc1ccc(cc1Br)SCCO 62a_100012349582_100000211926 [0,2,0,0,0,0|1,1,0]=4 21036 B13R1.577 N#Cc1ccc(cc1Cl)NCCO 34a_100000211542_100000211926 [0,2,0,0,0,0|2,0,0]=4 21037 B13R1.577 N#Cc1ccc(cc1Cl)NCCO 7a_100000211542_100000211926 [0,2,0,0,0,0|2,0,0]=4 21038 B13R1.577 N#Cc1ccc(cc1Cl)OCCF 34a_100000716493_100011217306 [0,2,0,0,0,0|2,0,0]=4 21039 B13R1.577 N#Cc1ccc(cc1Cl)OCCF 7a_100000716493_100011217306 [0,2,0,0,0,0|2,0,0]=4 21040 B13R1.577 N#Cc1ccc(cc1Cl)OCCO 34a_100000716493_100000211926 [0,2,0,0,0,0|1,0,0]=3 21041 B13R1.577 N#Cc1ccc(cc1Cl)OCCO 7a_100000716493_100000211926 [0,2,0,0,0,0|1,0,0]=3 21042 B13R1.577 N#Cc1ccc(cc1Cl)SCCO 62a_100000211926_100012349662 [0,2,0,0,0,0|1,1,0]=4 21043 B13R1.577 N#Cc1ccc(cc1F)NCCO 27a_100000210304_100000037869 [0,2,0,0,0,0|2,0,0]=4 21044 B13R1.577 N#Cc1ccc(cc1F)NCCO 34a_100000765089_100000211926 [0,2,0,0,0,0|2,0,0]=4 21045 B13R1.577 N#Cc1ccc(cc1F)NCCO 7a_100000765089_100000211926 [0,2,0,0,0,0|2,0,0]=4 21046 B13R1.577 N#Cc1ccc(cc1F)OCCF 34a_100000753931_100011217306 [0,2,0,0,0,0|2,0,0]=4 21047 B13R1.577 N#Cc1ccc(cc1F)OCCF 7a_100000753931_100011217306 [0,2,0,0,0,0|2,0,0]=4 21048 B13R1.577 N#Cc1ccc(cc1F)OCCO 34a_100000753931_100000211926 [0,2,0,0,0,0|1,0,0]=3 21049 B13R1.577 N#Cc1ccc(cc1F)OCCO 7a_100000753931_100000211926 [0,2,0,0,0,0|1,0,0]=3 21050 B13R1.577 N#Cc1ccc(cc1F)SCCO 62a_100000211926_100000037869 [0,2,0,0,0,0|1,1,0]=4 21051 B13R1.577 N#Cc1ccc(cc1N)SCCO 62a_100000211926_100000699244 [0,2,0,0,0,0|1,1,0]=4 21052 B13R1.577 N#Cc1ccc(cc1O)NCCO 34a_100000094571_100000211926 [0,2,0,0,0,0|2,0,0]=4 21053 B13R1.577 N#Cc1ccc(cc1O)NCCO 7a_100000094571_100000211926 [0,2,0,0,0,0|2,0,0]=4 21054 B13R1.577 N#Cc1ccc(cc1O)SCCO 62a_100000211926_100011934713 [0,2,0,0,0,0|1,1,0]=4 21055 B13R1.577 N#Cc1ncc(cc1Br)OCCO 34a_200015293162_100000211926 [0,2,0,0,0,0|2,0,0]=4 21056 B13R1.577 N#Cc1ncc(cc1Br)OCCO 7a_200015293162_100000211926 [0,2,0,0,0,0|2,0,0]=4 21057 B13R1.577 NCc1ccc(cc1Cl)OCCF 34a_200161156549_100011217306 [0,2,0,0,0,0|2,0,0]=4 21058 B13R1.577 NCc1ccc(cc1Cl)OCCO 34a_200161156549_100000211926 [0,2,0,0,0,0|1,0,0]=3 21059 B13R1.577 NCc1ccc(cc1F)SCCO 62a_100000211926_100000754580 [0,2,0,0,0,0|1,1,0]=4 21060 B13R1.577 NCc1ccc(cc1F)SCCO 62a_100000754580_100000211926 [0,2,0,0,0,0|1,1,0]=4 21061 B13R1.577 NNc1ccc(cc1F)SCCO 62a_100000211926_100000751572 [0,2,0,0,0,0|1,1,0]=4 21062 B13R1.577 NNc1ccc(cc1F)SCCO 62a_100000751572_100000211926 [0,2,0,0,0,0|1,1,0]=4 21063 B13R1.577 Nc1cc(ccc1C=O)SCCO 62a_100009814810_100000211926 [0,2,0,0,0,0|1,1,0]=4 21064 B13R1.577 Nc1cc(ccc1CO)SCCO 62a_100000211926_100000718831 [0,2,0,0,0,0|1,1,0]=4 21065 B13R1.577 Nc1cc(ccc1CO)SCCO 62a_100000718831_100000211926 [0,2,0,0,0,0|1,1,0]=4 21066 B13R1.577 O=Cc1ccc(cc1Br)SCCO 62a_100000211926_100010185650 [0,2,0,0,0,0|1,1,0]=4 21067 B13R1.577 O=Cc1ccc(cc1Br)SCCO 62a_100010185650_100000211926 [0,2,0,0,0,0|1,1,0]=4 21068 B13R1.577 O=Cc1ccc(cc1Cl)SCCO 62a_100000211926_100000727542 [0,2,0,0,0,0|1,1,0]=4 21069 B13R1.577 O=Cc1ccc(cc1Cl)SCCO 62a_100000727542_100000211926 [0,2,0,0,0,0|1,1,0]=4 21070 B13R1.577 O=Cc1ccc(cc1F)SCCO 62a_100000211676_100000211926 [0,2,0,0,0,0|1,1,0]=4 21071 B13R1.577 O=Cc1ccc(cc1F)SCCO 62a_100000211926_100000211676 [0,2,0,0,0,0|1,1,0]=4 21072 B13R1.577 O=Cc1ccc(cc1O)SCCO 62a_100000211926_100011277552 [0,2,0,0,0,0|1,1,0]=4 21073 B13R1.577 O=Cc1ccc(cc1O)SCCO 62a_100011277552_100000211926 [0,2,0,0,0,0|1,1,0]=4 21074 B13R1.577 OCCNc1ccc(c(c1)Cl)CO 34a_100000689119_100000211926 [0,2,0,0,0,0|2,0,0]=4 21075 B13R1.577 OCCOc1ccc(c(c1)Br)CO 34a_100010146404_100000211926 [0,2,0,0,0,0|1,0,0]=3 21076 B13R1.577 OCCOc1ccc(c(c1)Br)CO 7a_100010146404_100000211926 [0,2,0,0,0,0|1,0,0]=3 21077 B13R1.577 OCCOc1ccc(c(c1)Cl)CO 34a_200000075811_100000211926 [0,2,0,0,0,0|1,0,0]=3 21078 B13R1.577 OCCOc1ccc(c(c1)Cl)CO 7a_200000075811_100000211926 [0,2,0,0,0,0|1,0,0]=3 21079 B13R1.577 OCCOc1ccc(c(c1)F)CO 34a_100000084598_100000211926 [0,2,0,0,0,0|1,0,0]=3 21080 B13R1.577 OCCOc1ccc(c(c1)F)CO 7a_100000084598_100000211926 [0,2,0,0,0,0|1,0,0]=3 21081 B13R1.577 OCCSc1ccc(c(c1)Br)CO 62a_100000211926_100010240206 [0,2,0,0,0,0|1,1,0]=4 21082 B13R1.577 OCCSc1ccc(c(c1)Br)CO 62a_100010240206_100000211926 [0,2,0,0,0,0|1,1,0]=4 21083 B13R1.577 OCCSc1ccc(c(c1)F)CO 62a_100000211926_100011191541 [0,2,0,0,0,0|1,1,0]=4 21084 B13R1.577 OCCSc1ccc(c(c1)F)CO 62a_100011191541_100000211926 [0,2,0,0,0,0|1,1,0]=4 21085 B13R1.577 OCCSc1ccc(c(c1)O)CO 62a_100000071718_100000211926 [0,2,0,0,0,0|1,1,0]=4 21086 B13R1.577 OCCSc1ccc(c(c1)O)CO 62a_100000211926_100000071718 [0,2,0,0,0,0|1,1,0]=4 21087 B13R1.577 OCc1ccc(cc1Br)OCCF 34a_100010146404_100011217306 [0,2,0,0,0,0|2,0,0]=4 21088 B13R1.577 OCc1ccc(cc1Br)OCCF 7a_100010146404_100011217306 [0,2,0,0,0,0|2,0,0]=4 21089 B13R1.577 OCc1ccc(cc1Cl)OCCF 34a_200000075811_100011217306 [0,2,0,0,0,0|2,0,0]=4 21090 B13R1.577 OCc1ccc(cc1Cl)OCCF 7a_200000075811_100011217306 [0,2,0,0,0,0|2,0,0]=4 21091 B13R1.577 OCc1ccc(cc1F)OCCF 34a_100000084598_100011217306 [0,2,0,0,0,0|2,0,0]=4 21092 B13R1.577 OCc1ccc(cc1F)OCCF 7a_100000084598_100011217306 [0,2,0,0,0,0|2,0,0]=4 21093 B13R1.136 C#CCOc1cc(c(c(c1)Br)Cl)Cl 34a_100016179818_100000184674 [0,2,0,0,0,0|1,0,1]=4 21094 B13R1.136 C#CCOc1cc(c(c(c1)Br)Cl)Cl 7a_100016179818_100000038162 [0,2,0,0,0,0|1,0,1]=4 21095 B13R1.136 C#CCOc1cc(c(c(c1)C)Cl)C 34a_100000739557_100000184674 [0,2,0,0,0,0|1,0,1]=4 21096 B13R1.136 C#CCOc1cc(c(c(c1)C)Cl)C 7a_100000739557_100000038162 [0,2,0,0,0,0|1,0,1]=4 21097 B13R1.136 C#CCOc1cc(c(c(c1)Cl)Cl)Cl 34a_100000074982_100000184674 [0,2,0,0,0,0|1,0,1]=4 21098 B13R1.136 C#CCOc1cc(c(c(c1)Cl)Cl)Cl 7a_100000074982_100000038162 [0,2,0,0,0,0|1,0,1]=4 21099 B13R1.136 C#CCOc1cc(c(c(c1)F)Cl)F 34a_100000117300_100000184674 [0,2,0,0,0,0|1,0,1]=4 21100 B13R1.136 C#CCOc1cc(c(c(c1)F)Cl)F 7a_100000117300_100000038162 [0,2,0,0,0,0|1,0,1]=4 21101 B13R1.136 C=CCOc1cc(c(c(c1)Br)Cl)Cl 34a_100016179818_100015514636 [0,2,0,0,0,0|1,0,1]=4 21102 B13R1.136 C=CCOc1cc(c(c(c1)Br)Cl)Cl 7a_100016179818_100015514636 [0,2,0,0,0,0|1,0,1]=4 21103 B13R1.136 C=CCOc1cc(c(c(c1)C)Cl)C 34a_100000739557_100015514636 [0,2,0,0,0,0|1,0,1]=4 21104 B13R1.136 C=CCOc1cc(c(c(c1)C)Cl)C 7a_100000739557_100015514636 [0,2,0,0,0,0|1,0,1]=4 21105 B13R1.136 C=CCOc1cc(c(c(c1)Cl)Cl)Cl 34a_100000074982_100015514636 [0,2,0,0,0,0|1,0,1]=4 21106 B13R1.136 C=CCOc1cc(c(c(c1)Cl)Cl)Cl 7a_100000074982_100015514636 [0,2,0,0,0,0|1,0,1]=4 21107 B13R1.136 C=CCOc1cc(c(c(c1)F)Cl)F 34a_100000117300_100015514636 [0,2,0,0,0,0|1,0,1]=4 21108 B13R1.136 C=CCOc1cc(c(c(c1)F)Cl)F 7a_100000117300_100015514636 [0,2,0,0,0,0|1,0,1]=4 21109 B13R1.136 CCCCc1cc(c(c(c1)F)Cl)F 271570a_100020621405_100010154629 [0,2,0,0,0,0|2,0,0]=4 21110 B13R1.136 CCCNc1cc(c(c(c1)Br)Cl)Cl 2230a_100010735061_100000210303 [0,2,0,0,0,0|2,0,0]=4 21111 B13R1.136 CCCNc1cc(c(c(c1)Br)Cl)Cl 34a_100010735061_100000210303 [0,2,0,0,0,0|2,0,0]=4 21112 B13R1.136 CCCNc1cc(c(c(c1)Br)Cl)Cl 7a_100010735061_100000210303 [0,2,0,0,0,0|2,0,0]=4 21113 B13R1.136 CCCNc1cc(c(c(c1)Cl)Cl)C 2230a_100009830880_100000210303 [0,2,0,0,0,0|2,0,0]=4 21114 B13R1.136 CCCNc1cc(c(c(c1)Cl)Cl)C 34a_100009830880_100000210303 [0,2,0,0,0,0|2,0,0]=4 21115 B13R1.136 CCCNc1cc(c(c(c1)Cl)Cl)C 7a_100009830880_100000210303 [0,2,0,0,0,0|2,0,0]=4 21116 B13R1.136 CCCNc1cc(c(c(c1)Cl)Cl)Cl 34a_100000037808_100000210303 [0,2,0,0,0,0|2,0,0]=4 21117 B13R1.136 CCCNc1cc(c(c(c1)Cl)Cl)Cl 7a_100000037808_100000210303 [0,2,0,0,0,0|2,0,0]=4 21118 B13R1.136 CCCNc1cc(c(c(c1)Cl)Cl)F 2230a_100012961779_100000210303 [0,2,0,0,0,0|2,0,0]=4 21119 B13R1.136 CCCNc1cc(c(c(c1)Cl)Cl)F 34a_100012961779_100000210303 [0,2,0,0,0,0|2,0,0]=4 21120 B13R1.136 CCCNc1cc(c(c(c1)Cl)Cl)F 7a_100012961779_100000210303 [0,2,0,0,0,0|2,0,0]=4 21121 B13R1.136 CCCNc1cc(c(c(c1)Cl)Cl)O 34a_100015839415_100000210303 [0,2,0,0,0,0|2,0,0]=4 21122 B13R1.136 CCCNc1cc(c(c(c1)Cl)Cl)O 7a_100015839415_100000210303 [0,2,0,0,0,0|2,0,0]=4 21123 B13R1.136 CCCNc1cc(c(c(c1)F)Cl)F 2230a_100000094121_100000210303 [0,2,0,0,0,0|2,0,0]=4 21124 B13R1.136 CCCNc1cc(c(c(c1)F)Cl)F 34a_100000094121_100000210303 [0,2,0,0,0,0|2,0,0]=4 21125 B13R1.136 CCCNc1cc(c(c(c1)F)Cl)F 7a_100000094121_100000210303 [0,2,0,0,0,0|2,0,0]=4 21126 B13R1.136 CCCOc1cc(c(c(c1)Br)C)Br 34a_100009813510_100000210303 [0,2,0,0,0,0|2,0,0]=4 21127 B13R1.136 CCCOc1cc(c(c(c1)Br)C)Br 7a_100009813510_100000210303 [0,2,0,0,0,0|2,0,0]=4 21128 B13R1.136 CCCOc1cc(c(c(c1)Br)C)C 34a_100010068915_100000210303 [0,2,0,0,0,0|2,0,0]=4 21129 B13R1.136 CCCOc1cc(c(c(c1)Br)C)C 7a_100010068915_100000210303 [0,2,0,0,0,0|2,0,0]=4 21130 B13R1.136 CCCOc1cc(c(c(c1)Br)Cl)Cl 34a_100016179818_100000210303 [0,2,0,0,0,0|1,0,0]=3 21131 B13R1.136 CCCOc1cc(c(c(c1)Br)Cl)Cl 7a_100016179818_100000210303 [0,2,0,0,0,0|1,0,0]=3 21132 B13R1.136 CCCOc1cc(c(c(c1)Br)F)Cl 34a_200011105948_100000210303 [0,2,0,0,0,0|1,1,0]=4 21133 B13R1.136 CCCOc1cc(c(c(c1)Br)F)Cl 7a_200011105948_100000210303 [0,2,0,0,0,0|1,1,0]=4 21134 B13R1.136 CCCOc1cc(c(c(c1)Br)N)Br 34a_200010887395_100000210303 [0,2,0,0,0,0|2,0,0]=4 21135 B13R1.136 CCCOc1cc(c(c(c1)Br)N)Br 7a_200010887395_100000210303 [0,2,0,0,0,0|2,0,0]=4 21136 B13R1.136 CCCOc1cc(c(c(c1)C)Br)C 34a_100000243743_100000210303 [0,2,0,0,0,0|1,1,0]=4 21137 B13R1.136 CCCOc1cc(c(c(c1)C)Br)C 7a_100000243743_100000210303 [0,2,0,0,0,0|1,1,0]=4 21138 B13R1.136 CCCOc1cc(c(c(c1)C)C)C 34a_200000042890_100000210303 [0,2,0,0,0,0|2,0,0]=4 21139 B13R1.136 CCCOc1cc(c(c(c1)C)C)C 7a_200000042890_100000210303 [0,2,0,0,0,0|2,0,0]=4 21140 B13R1.136 CCCOc1cc(c(c(c1)C)Cl)C 34a_100000739557_100000210303 [0,2,0,0,0,0|1,0,0]=3 21141 B13R1.136 CCCOc1cc(c(c(c1)C)Cl)C 7a_100000739557_100000210303 [0,2,0,0,0,0|1,0,0]=3 21142 B13R1.136 CCCOc1cc(c(c(c1)C)I)C 34a_100011216239_100000210303 [0,2,0,0,0,0|1,1,0]=4 21143 B13R1.136 CCCOc1cc(c(c(c1)C)I)C 7a_100011216239_100000210303 [0,2,0,0,0,0|1,1,0]=4 21144 B13R1.136 CCCOc1cc(c(c(c1)C)N)C 34a_100011934200_100000210303 [0,2,0,0,0,0|2,0,0]=4 21145 B13R1.136 CCCOc1cc(c(c(c1)C)N)C 7a_100011934200_100000210303 [0,2,0,0,0,0|2,0,0]=4 21146 B13R1.136 CCCOc1cc(c(c(c1)Cl)Br)Cl 34a_100009888979_100000210303 [0,2,0,0,0,0|1,1,0]=4 21147 B13R1.136 CCCOc1cc(c(c(c1)Cl)Br)Cl 7a_100009888979_100000210303 [0,2,0,0,0,0|1,1,0]=4 21148 B13R1.136 CCCOc1cc(c(c(c1)Cl)Cl)Cl 34a_100000074982_100000210303 [0,2,0,0,0,0|1,0,0]=3 21149 B13R1.136 CCCOc1cc(c(c(c1)Cl)Cl)Cl 7a_100000074982_100000210303 [0,2,0,0,0,0|1,0,0]=3 21150 B13R1.136 CCCOc1cc(c(c(c1)Cl)F)Cl 34a_100012242831_100000210303 [0,2,0,0,0,0|1,1,0]=4 21151 B13R1.136 CCCOc1cc(c(c(c1)Cl)F)Cl 7a_100012242831_100000210303 [0,2,0,0,0,0|1,1,0]=4 21152 B13R1.136 CCCOc1cc(c(c(c1)F)Br)F 34a_100009816007_100000210303 [0,2,0,0,0,0|1,1,0]=4 21153 B13R1.136 CCCOc1cc(c(c(c1)F)Br)F 7a_100009816007_100000210303 [0,2,0,0,0,0|1,1,0]=4 21154 B13R1.136 CCCOc1cc(c(c(c1)F)Cl)F 34a_100000117300_100000210303 [0,2,0,0,0,0|1,0,0]=3 21155 B13R1.136 CCCOc1cc(c(c(c1)F)Cl)F 7a_100000117300_100000210303 [0,2,0,0,0,0|1,0,0]=3 21156 B13R1.136 CCCOc1cc(c(c(c1)F)F)F 34a_100000237451_100000210303 [0,2,0,0,0,0|1,1,0]=4 21157 B13R1.136 CCCOc1cc(c(c(c1)F)F)F 7a_100000237451_100000210303 [0,2,0,0,0,0|1,1,0]=4 21158 B13R1.136 CCCOc1cc(c(c(c1)F)I)F 34a_100010219129_100000210303 [0,2,0,0,0,0|1,1,0]=4 21159 B13R1.136 CCCOc1cc(c(c(c1)F)I)F 7a_100010219129_100000210303 [0,2,0,0,0,0|1,1,0]=4 21160 B13R1.136 CCCOc1cc(c(c(c1)F)N)F 34a_100000036573_100000210303 [0,2,0,0,0,0|2,0,0]=4 21161 B13R1.136 CCCOc1cc(c(c(c1)F)N)F 7a_100000036573_100000210303 [0,2,0,0,0,0|2,0,0]=4 21162 B13R1.136 CCCSc1cc(c(c(c1)F)Cl)F 62a_100000210303_100010154629 [0,2,0,0,0,0|1,1,0]=4 21163 B13R1.136 CCCSc1cc(c(c(c1)F)Cl)F 62a_100010154629_100000210303 [0,2,0,0,0,0|1,1,0]=4 21164 B13R1.136 CSCOc1cc(c(c(c1)Br)Cl)Cl 34a_100016179818_100011218213 [0,2,0,0,0,0|2,0,0]=4 21165 B13R1.136 CSCOc1cc(c(c(c1)C)Cl)C 34a_100000739557_100011218213 [0,2,0,0,0,0|2,0,0]=4 21166 B13R1.136 CSCOc1cc(c(c(c1)Cl)Cl)Cl 34a_100000074982_100011218213 [0,2,0,0,0,0|2,0,0]=4 21167 B13R1.136 CSCOc1cc(c(c(c1)F)Cl)F 34a_100000117300_100011218213 [0,2,0,0,0,0|2,0,0]=4 21168 B13R1.136 Cc1c(cc(cc1Br)NCCO)Br 2230a_100009813276_100000211926 [0,2,0,0,0,0|2,0,0]=4 21169 B13R1.136 Cc1c(cc(cc1Br)NCCO)Br 34a_100009813276_100000211926 [0,2,0,0,0,0|2,0,0]=4 21170 B13R1.136 Cc1c(cc(cc1Br)NCCO)Br 7a_100009813276_100000211926 [0,2,0,0,0,0|2,0,0]=4 21171 B13R1.136 Cc1c(cc(cc1Br)NCCO)F 2230a_100010254531_100000211926 [0,2,0,0,0,0|2,0,0]=4 21172 B13R1.136 Cc1c(cc(cc1Br)NCCO)F 34a_100010254531_100000211926 [0,2,0,0,0,0|2,0,0]=4 21173 B13R1.136 Cc1c(cc(cc1Br)NCCO)F 7a_100010254531_100000211926 [0,2,0,0,0,0|2,0,0]=4 21174 B13R1.136 Cc1c(cc(cc1Br)OCCF)Br 34a_100009813510_100011217306 [0,2,0,0,0,0|2,0,0]=4 21175 B13R1.136 Cc1c(cc(cc1Br)OCCF)Br 7a_100009813510_100011217306 [0,2,0,0,0,0|2,0,0]=4 21176 B13R1.136 Cc1c(cc(cc1Br)OCCO)Br 34a_100009813510_100000211926 [0,2,0,0,0,0|1,0,0]=3 21177 B13R1.136 Cc1c(cc(cc1Br)OCCO)Br 7a_100009813510_100000211926 [0,2,0,0,0,0|1,0,0]=3 21178 B13R1.136 Cc1c(cc(cc1Br)SCCO)Br 62a_100000211926_100011099977 [0,2,0,0,0,0|1,1,0]=4 21179 B13R1.136 Cc1c(cc(cc1Br)SCCO)Br 62a_100011099977_100000211926 [0,2,0,0,0,0|1,1,0]=4 21180 B13R1.136 Cc1c(cc(cc1Cl)NCCO)Cl 2230a_100000745310_100000211926 [0,2,0,0,0,0|2,0,0]=4 21181 B13R1.136 Cc1c(cc(cc1Cl)NCCO)Cl 34a_100000745310_100000211926 [0,2,0,0,0,0|2,0,0]=4 21182 B13R1.136 Cc1c(cc(cc1Cl)NCCO)Cl 7a_100000745310_100000211926 [0,2,0,0,0,0|2,0,0]=4 21183 B13R1.136 Cc1c(cc(cc1F)NCCO)F 2230a_100011216606_100000211926 [0,2,0,0,0,0|2,0,0]=4 21184 B13R1.136 Cc1c(cc(cc1F)NCCO)F 34a_100011216606_100000211926 [0,2,0,0,0,0|2,0,0]=4 21185 B13R1.136 Cc1c(cc(cc1F)NCCO)F 7a_100011216606_100000211926 [0,2,0,0,0,0|2,0,0]=4 21186 B13R1.136 Cc1c(cc(cc1F)SCCO)F 62a_100000211926_100009814309 [0,2,0,0,0,0|1,1,0]=4 21187 B13R1.136 Cc1c(cc(cc1F)SCCO)F 62a_100009814309_100000211926 [0,2,0,0,0,0|1,1,0]=4 21188 B13R1.136 Cc1c(cc(cc1F)SCCO)N 62a_100000211926_100009813729 [0,2,0,0,0,0|1,1,0]=4 21189 B13R1.136 Cc1c(cc(cc1F)SCCO)N 62a_100009813729_100000211926 [0,2,0,0,0,0|1,1,0]=4 21190 B13R1.136 Cc1cc(cc(=O)n1C)OCCO 34a_100000075388_100000211926 [0,2,0,0,0,0|2,0,0]=4 21191 B13R1.136 Cc1cc(cc(c1Br)C)NCCO 2230a_100000684802_100000211926 [0,2,0,0,0,0|1,1,0]=4 21192 B13R1.136 Cc1cc(cc(c1Br)C)NCCO 34a_100000684802_100000211926 [0,2,0,0,0,0|1,1,0]=4 21193 B13R1.136 Cc1cc(cc(c1Br)C)NCCO 7a_100000684802_100000211926 [0,2,0,0,0,0|1,1,0]=4 21194 B13R1.136 Cc1cc(cc(c1Br)C)OCCF 34a_100000243743_100011217306 [0,2,0,0,0,0|1,1,0]=4 21195 B13R1.136 Cc1cc(cc(c1Br)C)OCCF 7a_100000243743_100011217306 [0,2,0,0,0,0|1,1,0]=4 21196 B13R1.136 Cc1cc(cc(c1Br)C)OCCO 34a_100000243743_100000211926 [0,2,0,0,0,0|0,1,0]=3 21197 B13R1.136 Cc1cc(cc(c1Br)C)OCCO 7a_100000243743_100000211926 [0,2,0,0,0,0|0,1,0]=3 21198 B13R1.136 Cc1cc(cc(c1Br)C)SCCO 62a_100000211926_100012353698 [0,2,0,0,0,0|0,2,0]=4 21199 B13R1.136 Cc1cc(cc(c1Br)C)SCCO 62a_100012353698_100000211926 [0,2,0,0,0,0|0,2,0]=4 21200 B13R1.136 Cc1cc(cc(c1Br)F)NCCO 2230a_100010115923_100000211926 [0,2,0,0,0,0|1,1,0]=4 21201 B13R1.136 Cc1cc(cc(c1Br)F)NCCO 34a_100010115923_100000211926 [0,2,0,0,0,0|1,1,0]=4 21202 B13R1.136 Cc1cc(cc(c1Br)F)NCCO 7a_100010115923_100000211926 [0,2,0,0,0,0|1,1,0]=4 21203 B13R1.136 Cc1cc(cc(c1C)Br)NCCO 2230a_100010368239_100000211926 [0,2,0,0,0,0|2,0,0]=4 21204 B13R1.136 Cc1cc(cc(c1C)Br)NCCO 34a_100010368239_100000211926 [0,2,0,0,0,0|2,0,0]=4 21205 B13R1.136 Cc1cc(cc(c1C)Br)NCCO 7a_100010368239_100000211926 [0,2,0,0,0,0|2,0,0]=4 21206 B13R1.136 Cc1cc(cc(c1C)Br)OCCF 34a_100010068915_100011217306 [0,2,0,0,0,0|2,0,0]=4 21207 B13R1.136 Cc1cc(cc(c1C)Br)OCCF 7a_100010068915_100011217306 [0,2,0,0,0,0|2,0,0]=4 21208 B13R1.136 Cc1cc(cc(c1C)Br)OCCO 34a_100010068915_100000211926 [0,2,0,0,0,0|1,0,0]=3 21209 B13R1.136 Cc1cc(cc(c1C)Br)OCCO 7a_100010068915_100000211926 [0,2,0,0,0,0|1,0,0]=3 21210 B13R1.136 Cc1cc(cc(c1C)C)NCCO 2230a_100000074974_100000211926 [0,2,0,0,0,0|2,0,0]=4 21211 B13R1.136 Cc1cc(cc(c1C)C)NCCO 34a_100000074974_100000211926 [0,2,0,0,0,0|2,0,0]=4 21212 B13R1.136 Cc1cc(cc(c1C)C)NCCO 7a_100000074974_100000211926 [0,2,0,0,0,0|2,0,0]=4 21213 B13R1.136 Cc1cc(cc(c1C)C)OCCF 34a_200000042890_100011217306 [0,2,0,0,0,0|2,0,0]=4 21214 B13R1.136 Cc1cc(cc(c1C)C)OCCF 7a_200000042890_100011217306 [0,2,0,0,0,0|2,0,0]=4 21215 B13R1.136 Cc1cc(cc(c1C)C)OCCO 34a_200000042890_100000211926 [0,2,0,0,0,0|1,0,0]=3 21216 B13R1.136 Cc1cc(cc(c1C)C)OCCO 7a_200000042890_100000211926 [0,2,0,0,0,0|1,0,0]=3 21217 B13R1.136 Cc1cc(cc(c1C)C)SCCO 62a_100000211926_200011015895 [0,2,0,0,0,0|1,1,0]=4 21218 B13R1.136 Cc1cc(cc(c1C)C)SCCO 62a_200011015895_100000211926 [0,2,0,0,0,0|1,1,0]=4 21219 B13R1.136 Cc1cc(cc(c1Cl)C)OCC#N 7a_100000739557_100011215382 [0,2,0,0,0,0|1,0,1]=4 21220 B13R1.136 Cc1cc(cc(c1Cl)C)OCC=O 34a_100000739557_200009817547 [0,2,0,0,0,0|0,0,2]=4 21221 B13R1.136 Cc1cc(cc(c1Cl)C)OCC=O 7a_100000739557_200015260668 [0,2,0,0,0,0|0,0,2]=4 21222 B13R1.136 Cc1cc(cc(c1Cl)C)OCCF 34a_100000739557_100011217306 [0,2,0,0,0,0|1,0,0]=3 21223 B13R1.136 Cc1cc(cc(c1Cl)C)OCCF 7a_100000739557_100011217306 [0,2,0,0,0,0|1,0,0]=3 21224 B13R1.136 Cc1cc(cc(c1Cl)C)OCCO 34a_100000739557_100000211926 [0,2,0,0,0,0|0,0,0]=2 21225 B13R1.136 Cc1cc(cc(c1Cl)C)OCCO 7a_100000739557_100000211926 [0,2,0,0,0,0|0,0,0]=2 21226 B13R1.136 Cc1cc(cc(c1Cl)Cl)NCCF 2230a_100009830880_100011217306 [0,2,0,0,0,0|2,0,0]=4 21227 B13R1.136 Cc1cc(cc(c1Cl)Cl)NCCF 34a_100009830880_100011217306 [0,2,0,0,0,0|2,0,0]=4 21228 B13R1.136 Cc1cc(cc(c1Cl)Cl)NCCF 7a_100009830880_100011217306 [0,2,0,0,0,0|2,0,0]=4 21229 B13R1.136 Cc1cc(cc(c1Cl)Cl)NCCO 2230a_100009830880_100000211926 [0,2,0,0,0,0|1,0,0]=3 21230 B13R1.136 Cc1cc(cc(c1Cl)Cl)NCCO 34a_100009830880_100000211926 [0,2,0,0,0,0|1,0,0]=3 21231 B13R1.136 Cc1cc(cc(c1Cl)Cl)NCCO 7a_100009830880_100000211926 [0,2,0,0,0,0|1,0,0]=3 21232 B13R1.136 Cc1cc(cc(c1F)C)NCCO 2230a_100000061604_100000211926 [0,2,0,0,0,0|1,1,0]=4 21233 B13R1.136 Cc1cc(cc(c1F)C)NCCO 34a_100000061604_100000211926 [0,2,0,0,0,0|1,1,0]=4 21234 B13R1.136 Cc1cc(cc(c1F)C)NCCO 7a_100000061604_100000211926 [0,2,0,0,0,0|1,1,0]=4 21235 B13R1.136 Cc1cc(cc(c1F)C)SCCO 62a_100000211926_100009814169 [0,2,0,0,0,0|0,2,0]=4 21236 B13R1.136 Cc1cc(cc(c1F)C)SCCO 62a_100009814169_100000211926 [0,2,0,0,0,0|0,2,0]=4 21237 B13R1.136 Cc1cc(cc(c1F)F)NCCO 2230a_100010704045_100000211926 [0,2,0,0,0,0|1,1,0]=4 21238 B13R1.136 Cc1cc(cc(c1F)F)NCCO 34a_100010704045_100000211926 [0,2,0,0,0,0|1,1,0]=4 21239 B13R1.136 Cc1cc(cc(c1F)F)NCCO 7a_100010704045_100000211926 [0,2,0,0,0,0|1,1,0]=4 21240 B13R1.136 Cc1cc(cc(c1F)F)SCCO 62a_100000211926_200011068660 [0,2,0,0,0,0|0,2,0]=4 21241 B13R1.136 Cc1cc(cc(c1F)F)SCCO 62a_200011068660_100000211926 [0,2,0,0,0,0|0,2,0]=4 21242 B13R1.136 Cc1cc(cc(c1F)N)SCCO 62a_100000211926_100010381932 [0,2,0,0,0,0|0,2,0]=4 21243 B13R1.136 Cc1cc(cc(c1F)N)SCCO 62a_100010381932_100000211926 [0,2,0,0,0,0|0,2,0]=4 21244 B13R1.136 Cc1cc(cc(c1I)C)NCCO 34a_100000215964_100000211926 [0,2,0,0,0,0|1,1,0]=4 21245 B13R1.136 Cc1cc(cc(c1I)C)NCCO 7a_100000215964_100000211926 [0,2,0,0,0,0|1,1,0]=4 21246 B13R1.136 Cc1cc(cc(c1I)C)OCCF 34a_100011216239_100011217306 [0,2,0,0,0,0|1,1,0]=4 21247 B13R1.136 Cc1cc(cc(c1I)C)OCCF 7a_100011216239_100011217306 [0,2,0,0,0,0|1,1,0]=4 21248 B13R1.136 Cc1cc(cc(c1I)C)OCCO 34a_100011216239_100000211926 [0,2,0,0,0,0|0,1,0]=3 21249 B13R1.136 Cc1cc(cc(c1I)C)OCCO 7a_100011216239_100000211926 [0,2,0,0,0,0|0,1,0]=3 21250 B13R1.136 Cc1cc(cc(c1N)C)OCCF 34a_100011934200_100011217306 [0,2,0,0,0,0|2,0,0]=4 21251 B13R1.136 Cc1cc(cc(c1N)C)OCCF 7a_100011934200_100011217306 [0,2,0,0,0,0|2,0,0]=4 21252 B13R1.136 Cc1cc(cc(c1N)C)OCCO 34a_100011934200_100000211926 [0,2,0,0,0,0|1,0,0]=3 21253 B13R1.136 Cc1cc(cc(c1N)C)OCCO 7a_100011934200_100000211926 [0,2,0,0,0,0|1,0,0]=3 21254 B13R1.136 Cc1cc(cc(c1N)C)SCCO 62a_100000211926_100000737279 [0,2,0,0,0,0|1,1,0]=4 21255 B13R1.136 Cc1cc(cc(c1N)C)SCCO 62a_100000737279_100000211926 [0,2,0,0,0,0|1,1,0]=4 21256 B13R1.136 Cc1cc(cc(c1N)F)SCCO 62a_100000211926_100000709789 [0,2,0,0,0,0|1,1,0]=4 21257 B13R1.136 Cc1cc(cc(c1N)F)SCCO 62a_100000709789_100000211926 [0,2,0,0,0,0|1,1,0]=4 21258 B13R1.136 Cc1cc(cc(c1N)N)SCCO 62a_100000211926_100000688557 [0,2,0,0,0,0|1,1,0]=4 21259 B13R1.136 Cc1cc(cc(c1N)N)SCCO 62a_100000688557_100000211926 [0,2,0,0,0,0|1,1,0]=4 21260 B13R1.136 Cc1cc(cc(c1N)O)SCCO 62a_100000211926_100010371313 [0,2,0,0,0,0|1,1,0]=4 21261 B13R1.136 Cc1cc(cc(c1N)O)SCCO 62a_100010371313_100000211926 [0,2,0,0,0,0|1,1,0]=4 21262 B13R1.136 Cc1cc(cc(c1O)Br)NCCO 34a_100010064301_100000211926 [0,2,0,0,0,0|2,0,0]=4 21263 B13R1.136 Cc1cc(cc(c1O)Br)NCCO 7a_100010064301_100000211926 [0,2,0,0,0,0|2,0,0]=4 21264 B13R1.136 Cc1cc(cc(c1O)Br)SCCO 62a_100000211926_100010982682 [0,2,0,0,0,0|1,1,0]=4 21265 B13R1.136 Cc1cc(cc(c1O)Br)SCCO 62a_100010982682_100000211926 [0,2,0,0,0,0|1,1,0]=4 21266 B13R1.136 Cc1cc(cc(c1O)C)NCCO 34a_100000703291_100000211926 [0,2,0,0,0,0|2,0,0]=4 21267 B13R1.136 Cc1cc(cc(c1O)C)NCCO 7a_100000703291_100000211926 [0,2,0,0,0,0|2,0,0]=4 21268 B13R1.136 Cc1cc(cc(c1O)C)SCCO 62a_100000211926_100011216129 [0,2,0,0,0,0|1,1,0]=4 21269 B13R1.136 Cc1cc(cc(c1O)C)SCCO 62a_100011216129_100000211926 [0,2,0,0,0,0|1,1,0]=4 21270 B13R1.136 Cc1cc(cc(c1O)Cl)SCCO 62a_100000211926_200015900153 [0,2,0,0,0,0|1,1,0]=4 21271 B13R1.136 Cc1cc(cc(c1O)Cl)SCCO 62a_200015900153_100000211926 [0,2,0,0,0,0|1,1,0]=4 21272 B13R1.136 Cc1cc(cc(c1O)N)SCCO 62a_100000211926_100011825904 [0,2,0,0,0,0|1,1,0]=4 21273 B13R1.136 Cc1cc(cc(c1O)N)SCCO 62a_100011825904_100000211926 [0,2,0,0,0,0|1,1,0]=4 21274 B13R1.136 FCCNc1cc(c(c(c1)Br)Cl)Cl 2230a_100010735061_100011217306 [0,2,0,0,0,0|2,0,0]=4 21275 B13R1.136 FCCNc1cc(c(c(c1)Br)Cl)Cl 34a_100010735061_100011217306 [0,2,0,0,0,0|2,0,0]=4 21276 B13R1.136 FCCNc1cc(c(c(c1)Br)Cl)Cl 7a_100010735061_100011217306 [0,2,0,0,0,0|2,0,0]=4 21277 B13R1.136 FCCNc1cc(c(c(c1)Cl)Cl)Cl 34a_100000037808_100011217306 [0,2,0,0,0,0|2,0,0]=4 21278 B13R1.136 FCCNc1cc(c(c(c1)Cl)Cl)Cl 7a_100000037808_100011217306 [0,2,0,0,0,0|2,0,0]=4 21279 B13R1.136 FCCNc1cc(c(c(c1)Cl)Cl)F 2230a_100012961779_100011217306 [0,2,0,0,0,0|2,0,0]=4 21280 B13R1.136 FCCNc1cc(c(c(c1)Cl)Cl)F 34a_100012961779_100011217306 [0,2,0,0,0,0|2,0,0]=4 21281 B13R1.136 FCCNc1cc(c(c(c1)Cl)Cl)F 7a_100012961779_100011217306 [0,2,0,0,0,0|2,0,0]=4 21282 B13R1.136 FCCNc1cc(c(c(c1)F)Cl)F 2230a_100000094121_100011217306 [0,2,0,0,0,0|2,0,0]=4 21283 B13R1.136 FCCNc1cc(c(c(c1)F)Cl)F 34a_100000094121_100011217306 [0,2,0,0,0,0|2,0,0]=4 21284 B13R1.136 FCCNc1cc(c(c(c1)F)Cl)F 7a_100000094121_100011217306 [0,2,0,0,0,0|2,0,0]=4 21285 B13R1.136 FCCOc1cc(c(c(c1)Br)Cl)Cl 34a_100016179818_100011217306 [0,2,0,0,0,0|1,0,0]=3 21286 B13R1.136 FCCOc1cc(c(c(c1)Br)Cl)Cl 7a_100016179818_100011217306 [0,2,0,0,0,0|1,0,0]=3 21287 B13R1.136 FCCOc1cc(c(c(c1)Br)F)Cl 34a_200011105948_100011217306 [0,2,0,0,0,0|1,1,0]=4 21288 B13R1.136 FCCOc1cc(c(c(c1)Br)F)Cl 7a_200011105948_100011217306 [0,2,0,0,0,0|1,1,0]=4 21289 B13R1.136 FCCOc1cc(c(c(c1)Cl)Br)Cl 34a_100009888979_100011217306 [0,2,0,0,0,0|1,1,0]=4 21290 B13R1.136 FCCOc1cc(c(c(c1)Cl)Br)Cl 7a_100009888979_100011217306 [0,2,0,0,0,0|1,1,0]=4 21291 B13R1.136 FCCOc1cc(c(c(c1)Cl)Cl)Cl 34a_100000074982_100011217306 [0,2,0,0,0,0|1,0,0]=3 21292 B13R1.136 FCCOc1cc(c(c(c1)Cl)Cl)Cl 7a_100000074982_100011217306 [0,2,0,0,0,0|1,0,0]=3 21293 B13R1.136 FCCOc1cc(c(c(c1)Cl)F)Cl 34a_100012242831_100011217306 [0,2,0,0,0,0|1,1,0]=4 21294 B13R1.136 FCCOc1cc(c(c(c1)Cl)F)Cl 7a_100012242831_100011217306 [0,2,0,0,0,0|1,1,0]=4 21295 B13R1.136 FCCOc1cc(c(c(c1)F)Br)F 34a_100009816007_100011217306 [0,2,0,0,0,0|1,1,0]=4 21296 B13R1.136 FCCOc1cc(c(c(c1)F)Br)F 7a_100009816007_100011217306 [0,2,0,0,0,0|1,1,0]=4 21297 B13R1.136 FCCOc1cc(c(c(c1)F)Cl)F 34a_100000117300_100011217306 [0,2,0,0,0,0|1,0,0]=3 21298 B13R1.136 FCCOc1cc(c(c(c1)F)Cl)F 7a_100000117300_100011217306 [0,2,0,0,0,0|1,0,0]=3 21299 B13R1.136 FCCOc1cc(c(c(c1)F)F)F 34a_100000237451_100011217306 [0,2,0,0,0,0|1,1,0]=4 21300 B13R1.136 FCCOc1cc(c(c(c1)F)F)F 7a_100000237451_100011217306 [0,2,0,0,0,0|1,1,0]=4 21301 B13R1.136 FCCOc1cc(c(c(c1)F)I)F 34a_100010219129_100011217306 [0,2,0,0,0,0|1,1,0]=4 21302 B13R1.136 FCCOc1cc(c(c(c1)F)I)F 7a_100010219129_100011217306 [0,2,0,0,0,0|1,1,0]=4 21303 B13R1.136 FCCSc1cc(c(c(c1)F)Cl)F 62a_100010154629_100011217306 [0,2,0,0,0,0|1,1,0]=4 21304 B13R1.136 FCCSc1cc(c(c(c1)F)Cl)F 62a_100011217306_100010154629 [0,2,0,0,0,0|1,1,0]=4 21305 B13R1.136 N#CCOc1cc(c(c(c1)Br)Cl)Cl 7a_100016179818_100011215382 [0,2,0,0,0,0|1,0,1]=4 21306 B13R1.136 N#CCOc1cc(c(c(c1)Cl)Cl)Cl 7a_100000074982_100011215382 [0,2,0,0,0,0|1,0,1]=4 21307 B13R1.136 N#CCOc1cc(c(c(c1)F)Cl)F 7a_100000117300_100011215382 [0,2,0,0,0,0|1,0,1]=4 21308 B13R1.136 Nc1c(cc(cc1Br)OCCF)Br 34a_200010887395_100011217306 [0,2,0,0,0,0|2,0,0]=4 21309 B13R1.136 Nc1c(cc(cc1Br)OCCF)Br 7a_200010887395_100011217306 [0,2,0,0,0,0|2,0,0]=4 21310 B13R1.136 Nc1c(cc(cc1Br)OCCO)Br 34a_200010887395_100000211926 [0,2,0,0,0,0|1,0,0]=3 21311 B13R1.136 Nc1c(cc(cc1Br)OCCO)Br 7a_200010887395_100000211926 [0,2,0,0,0,0|1,0,0]=3 21312 B13R1.136 Nc1c(cc(cc1F)OCCF)F 34a_100000036573_100011217306 [0,2,0,0,0,0|2,0,0]=4 21313 B13R1.136 Nc1c(cc(cc1F)OCCF)F 7a_100000036573_100011217306 [0,2,0,0,0,0|2,0,0]=4 21314 B13R1.136 Nc1c(cc(cc1F)OCCO)F 34a_100000036573_100000211926 [0,2,0,0,0,0|1,0,0]=3 21315 B13R1.136 Nc1c(cc(cc1F)OCCO)F 7a_100000036573_100000211926 [0,2,0,0,0,0|1,0,0]=3 21316 B13R1.136 Nc1c(cc(cc1F)SCCO)F 62a_100000211926_100000758902 [0,2,0,0,0,0|1,1,0]=4 21317 B13R1.136 Nc1c(cc(cc1F)SCCO)F 62a_100000758902_100000211926 [0,2,0,0,0,0|1,1,0]=4 21318 B13R1.136 Nc1c(cc(cc1F)SCCO)O 62a_100000211926_100015475841 [0,2,0,0,0,0|1,1,0]=4 21319 B13R1.136 Nc1c(cc(cc1F)SCCO)O 62a_100015475841_100000211926 [0,2,0,0,0,0|1,1,0]=4 21320 B13R1.136 Nc1cc(cc(c1N)F)SCCO 62a_100000211926_100011218333 [0,2,0,0,0,0|1,1,0]=4 21321 B13R1.136 Nc1cc(cc(c1N)F)SCCO 62a_100011218333_100000211926 [0,2,0,0,0,0|1,1,0]=4 21322 B13R1.136 Nc1cc(cc(c1O)F)SCCO 62a_100000211926_100011217383 [0,2,0,0,0,0|1,1,0]=4 21323 B13R1.136 Nc1cc(cc(c1O)F)SCCO 62a_100011217383_100000211926 [0,2,0,0,0,0|1,1,0]=4 21324 B13R1.136 O=CCOc1cc(c(c(c1)Br)Cl)Cl 34a_100016179818_200009817547 [0,2,0,0,0,0|0,0,2]=4 21325 B13R1.136 O=CCOc1cc(c(c(c1)Br)Cl)Cl 7a_100016179818_200015260668 [0,2,0,0,0,0|0,0,2]=4 21326 B13R1.136 O=CCOc1cc(c(c(c1)Cl)Cl)Cl 34a_100000074982_200009817547 [0,2,0,0,0,0|0,0,2]=4 21327 B13R1.136 O=CCOc1cc(c(c(c1)Cl)Cl)Cl 7a_100000074982_200015260668 [0,2,0,0,0,0|0,0,2]=4 21328 B13R1.136 O=CCOc1cc(c(c(c1)F)Cl)F 34a_100000117300_200009817547 [0,2,0,0,0,0|0,0,2]=4 21329 B13R1.136 O=CCOc1cc(c(c(c1)F)Cl)F 7a_100000117300_200015260668 [0,2,0,0,0,0|0,0,2]=4 21330 B13R1.136 OCCNc1cc(c(c(c1)Br)Cl)Cl 2230a_100010735061_100000211926 [0,2,0,0,0,0|1,0,0]=3 21331 B13R1.136 OCCNc1cc(c(c(c1)Br)Cl)Cl 34a_100010735061_100000211926 [0,2,0,0,0,0|1,0,0]=3 21332 B13R1.136 OCCNc1cc(c(c(c1)Br)Cl)Cl 7a_100010735061_100000211926 [0,2,0,0,0,0|1,0,0]=3 21333 B13R1.136 OCCNc1cc(c(c(c1)Br)F)Br 2230a_100010209666_100000211926 [0,2,0,0,0,0|1,1,0]=4 21334 B13R1.136 OCCNc1cc(c(c(c1)Br)F)Br 34a_100010209666_100000211926 [0,2,0,0,0,0|1,1,0]=4 21335 B13R1.136 OCCNc1cc(c(c(c1)Br)F)Br 7a_100010209666_100000211926 [0,2,0,0,0,0|1,1,0]=4 21336 B13R1.136 OCCNc1cc(c(c(c1)Br)F)F 2230a_100009816004_100000211926 [0,2,0,0,0,0|1,1,0]=4 21337 B13R1.136 OCCNc1cc(c(c(c1)Br)F)F 34a_100009816004_100000211926 [0,2,0,0,0,0|1,1,0]=4 21338 B13R1.136 OCCNc1cc(c(c(c1)Br)F)F 7a_100009816004_100000211926 [0,2,0,0,0,0|1,1,0]=4 21339 B13R1.136 OCCNc1cc(c(c(c1)Br)O)Br 34a_200000186426_100000211926 [0,2,0,0,0,0|2,0,0]=4 21340 B13R1.136 OCCNc1cc(c(c(c1)Cl)Br)Cl 2230a_100010212259_100000211926 [0,2,0,0,0,0|1,1,0]=4 21341 B13R1.136 OCCNc1cc(c(c(c1)Cl)Br)Cl 34a_100010212259_100000211926 [0,2,0,0,0,0|1,1,0]=4 21342 B13R1.136 OCCNc1cc(c(c(c1)Cl)Br)Cl 7a_100010212259_100000211926 [0,2,0,0,0,0|1,1,0]=4 21343 B13R1.136 OCCNc1cc(c(c(c1)Cl)Br)F 2230a_100000728458_100000211926 [0,2,0,0,0,0|1,1,0]=4 21344 B13R1.136 OCCNc1cc(c(c(c1)Cl)Br)F 34a_100000728458_100000211926 [0,2,0,0,0,0|1,1,0]=4 21345 B13R1.136 OCCNc1cc(c(c(c1)Cl)Br)F 7a_100000728458_100000211926 [0,2,0,0,0,0|1,1,0]=4 21346 B13R1.136 OCCNc1cc(c(c(c1)Cl)Cl)Cl 34a_100000037808_100000211926 [0,2,0,0,0,0|1,0,0]=3 21347 B13R1.136 OCCNc1cc(c(c(c1)Cl)Cl)Cl 7a_100000037808_100000211926 [0,2,0,0,0,0|1,0,0]=3 21348 B13R1.136 OCCNc1cc(c(c(c1)Cl)Cl)F 2230a_100012961779_100000211926 [0,2,0,0,0,0|1,0,0]=3 21349 B13R1.136 OCCNc1cc(c(c(c1)Cl)Cl)F 34a_100012961779_100000211926 [0,2,0,0,0,0|1,0,0]=3 21350 B13R1.136 OCCNc1cc(c(c(c1)Cl)Cl)F 7a_100012961779_100000211926 [0,2,0,0,0,0|1,0,0]=3 21351 B13R1.136 OCCNc1cc(c(c(c1)Cl)Cl)O 34a_100015839415_100000211926 [0,2,0,0,0,0|1,0,0]=3 21352 B13R1.136 OCCNc1cc(c(c(c1)Cl)Cl)O 7a_100015839415_100000211926 [0,2,0,0,0,0|1,0,0]=3 21353 B13R1.136 OCCNc1cc(c(c(c1)Cl)F)Cl 2230a_100000700460_100000211926 [0,2,0,0,0,0|1,1,0]=4 21354 B13R1.136 OCCNc1cc(c(c(c1)Cl)F)Cl 34a_100000700460_100000211926 [0,2,0,0,0,0|1,1,0]=4 21355 B13R1.136 OCCNc1cc(c(c(c1)Cl)F)Cl 7a_100000700460_100000211926 [0,2,0,0,0,0|1,1,0]=4 21356 B13R1.136 OCCNc1cc(c(c(c1)Cl)F)F 2230a_200009857453_100000211926 [0,2,0,0,0,0|1,1,0]=4 21357 B13R1.136 OCCNc1cc(c(c(c1)Cl)F)F 34a_200009857453_100000211926 [0,2,0,0,0,0|1,1,0]=4 21358 B13R1.136 OCCNc1cc(c(c(c1)Cl)F)F 7a_200009857453_100000211926 [0,2,0,0,0,0|1,1,0]=4 21359 B13R1.136 OCCNc1cc(c(c(c1)Cl)I)F 34a_100014833993_100000211926 [0,2,0,0,0,0|1,1,0]=4 21360 B13R1.136 OCCNc1cc(c(c(c1)Cl)I)F 7a_100014833993_100000211926 [0,2,0,0,0,0|1,1,0]=4 21361 B13R1.136 OCCNc1cc(c(c(c1)Cl)O)Cl 34a_100000695418_100000211926 [0,2,0,0,0,0|2,0,0]=4 21362 B13R1.136 OCCNc1cc(c(c(c1)Cl)O)Cl 7a_100000695418_100000211926 [0,2,0,0,0,0|2,0,0]=4 21363 B13R1.136 OCCNc1cc(c(c(c1)F)Br)F 2230a_100000687227_100000211926 [0,2,0,0,0,0|1,1,0]=4 21364 B13R1.136 OCCNc1cc(c(c(c1)F)Br)F 34a_100000687227_100000211926 [0,2,0,0,0,0|1,1,0]=4 21365 B13R1.136 OCCNc1cc(c(c(c1)F)Br)F 7a_100000687227_100000211926 [0,2,0,0,0,0|1,1,0]=4 21366 B13R1.136 OCCNc1cc(c(c(c1)F)Cl)F 2230a_100000094121_100000211926 [0,2,0,0,0,0|1,0,0]=3 21367 B13R1.136 OCCNc1cc(c(c(c1)F)Cl)F 34a_100000094121_100000211926 [0,2,0,0,0,0|1,0,0]=3 21368 B13R1.136 OCCNc1cc(c(c(c1)F)Cl)F 7a_100000094121_100000211926 [0,2,0,0,0,0|1,0,0]=3 21369 B13R1.136 OCCNc1cc(c(c(c1)F)F)F 2230a_100000750163_100000211926 [0,2,0,0,0,0|1,1,0]=4 21370 B13R1.136 OCCNc1cc(c(c(c1)F)F)F 34a_100000750163_100000211926 [0,2,0,0,0,0|1,1,0]=4 21371 B13R1.136 OCCNc1cc(c(c(c1)F)F)F 7a_100000750163_100000211926 [0,2,0,0,0,0|1,1,0]=4 21372 B13R1.136 OCCNc1cc(c(c(c1)F)I)F 34a_100000057532_100000211926 [0,2,0,0,0,0|1,1,0]=4 21373 B13R1.136 OCCNc1cc(c(c(c1)F)I)F 7a_100000057532_100000211926 [0,2,0,0,0,0|1,1,0]=4 21374 B13R1.136 OCCNc1cc(c(c(c1)F)O)F 34a_100016987357_100000211926 [0,2,0,0,0,0|2,0,0]=4 21375 B13R1.136 OCCNc1cc(c(c(c1)F)O)F 7a_100016987357_100000211926 [0,2,0,0,0,0|2,0,0]=4 21376 B13R1.136 OCCOc1cc(c(c(c1)Br)Cl)Cl 34a_100016179818_100000211926 [0,2,0,0,0,0|0,0,0]=2 21377 B13R1.136 OCCOc1cc(c(c(c1)Br)Cl)Cl 7a_100016179818_100000211926 [0,2,0,0,0,0|0,0,0]=2 21378 B13R1.136 OCCOc1cc(c(c(c1)Br)F)Cl 34a_200011105948_100000211926 [0,2,0,0,0,0|0,1,0]=3 21379 B13R1.136 OCCOc1cc(c(c(c1)Br)F)Cl 7a_200011105948_100000211926 [0,2,0,0,0,0|0,1,0]=3 21380 B13R1.136 OCCOc1cc(c(c(c1)Cl)Br)Cl 34a_100009888979_100000211926 [0,2,0,0,0,0|0,1,0]=3 21381 B13R1.136 OCCOc1cc(c(c(c1)Cl)Br)Cl 7a_100009888979_100000211926 [0,2,0,0,0,0|0,1,0]=3 21382 B13R1.136 OCCOc1cc(c(c(c1)Cl)Cl)Cl 34a_100000074982_100000211926 [0,2,0,0,0,0|0,0,0]=2 21383 B13R1.136 OCCOc1cc(c(c(c1)Cl)Cl)Cl 7a_100000074982_100000211926 [0,2,0,0,0,0|0,0,0]=2 21384 B13R1.136 OCCOc1cc(c(c(c1)Cl)F)Cl 34a_100012242831_100000211926 [0,2,0,0,0,0|0,1,0]=3 21385 B13R1.136 OCCOc1cc(c(c(c1)Cl)F)Cl 7a_100012242831_100000211926 [0,2,0,0,0,0|0,1,0]=3 21386 B13R1.136 OCCOc1cc(c(c(c1)F)Br)F 34a_100009816007_100000211926 [0,2,0,0,0,0|0,1,0]=3 21387 B13R1.136 OCCOc1cc(c(c(c1)F)Br)F 7a_100009816007_100000211926 [0,2,0,0,0,0|0,1,0]=3 21388 B13R1.136 OCCOc1cc(c(c(c1)F)Cl)F 34a_100000117300_100000211926 [0,2,0,0,0,0|0,0,0]=2 21389 B13R1.136 OCCOc1cc(c(c(c1)F)Cl)F 7a_100000117300_100000211926 [0,2,0,0,0,0|0,0,0]=2 21390 B13R1.136 OCCOc1cc(c(c(c1)F)F)F 34a_100000237451_100000211926 [0,2,0,0,0,0|0,1,0]=3 21391 B13R1.136 OCCOc1cc(c(c(c1)F)F)F 7a_100000237451_100000211926 [0,2,0,0,0,0|0,1,0]=3 21392 B13R1.136 OCCOc1cc(c(c(c1)F)I)F 34a_100010219129_100000211926 [0,2,0,0,0,0|0,1,0]=3 21393 B13R1.136 OCCOc1cc(c(c(c1)F)I)F 7a_100010219129_100000211926 [0,2,0,0,0,0|0,1,0]=3 21394 B13R1.136 OCCSc1cc(c(c(c1)Cl)Br)Cl 62a_100000211926_200010212260 [0,2,0,0,0,0|0,2,0]=4 21395 B13R1.136 OCCSc1cc(c(c(c1)Cl)Br)Cl 62a_200010212260_100000211926 [0,2,0,0,0,0|0,2,0]=4 21396 B13R1.136 OCCSc1cc(c(c(c1)Cl)F)Cl 62a_100000211926_100012357505 [0,2,0,0,0,0|0,2,0]=4 21397 B13R1.136 OCCSc1cc(c(c(c1)Cl)F)Cl 62a_100012357505_100000211926 [0,2,0,0,0,0|0,2,0]=4 21398 B13R1.136 OCCSc1cc(c(c(c1)Cl)O)Cl 62a_100000211926_100012339652 [0,2,0,0,0,0|1,1,0]=4 21399 B13R1.136 OCCSc1cc(c(c(c1)Cl)O)Cl 62a_100012339652_100000211926 [0,2,0,0,0,0|1,1,0]=4 21400 B13R1.136 OCCSc1cc(c(c(c1)F)Br)F 62a_100000211926_100010176052 [0,2,0,0,0,0|0,2,0]=4 21401 B13R1.136 OCCSc1cc(c(c(c1)F)Br)F 62a_100010176052_100000211926 [0,2,0,0,0,0|0,2,0]=4 21402 B13R1.136 OCCSc1cc(c(c(c1)F)Cl)F 62a_100000211926_100010154629 [0,2,0,0,0,0|0,1,0]=3 21403 B13R1.136 OCCSc1cc(c(c(c1)F)Cl)F 62a_100010154629_100000211926 [0,2,0,0,0,0|0,1,0]=3 21404 B13R1.136 OCCSc1cc(c(c(c1)F)F)F 62a_100000211926_100011215606 [0,2,0,0,0,0|0,2,0]=4 21405 B13R1.136 OCCSc1cc(c(c(c1)F)F)F 62a_100011215606_100000211926 [0,2,0,0,0,0|0,2,0]=4 21406 B13R1.136 OCCSc1cc(c(c(c1)F)F)O 62a_100000211926_100000709865 [0,2,0,0,0,0|0,2,0]=4 21407 B13R1.136 OCCSc1cc(c(c(c1)F)F)O 62a_100000709865_100000211926 [0,2,0,0,0,0|0,2,0]=4 21408 B13R1.136 OCCSc1cc(c(c(c1)F)O)F 62a_100000211926_100011216917 [0,2,0,0,0,0|1,1,0]=4 21409 B13R1.136 OCCSc1cc(c(c(c1)F)O)F 62a_100011216917_100000211926 [0,2,0,0,0,0|1,1,0]=4 21410 B13R1.136 OCCSc1cc(c(c(c1)F)O)O 62a_100000211926_100010114375 [0,2,0,0,0,0|1,1,0]=4 21411 B13R1.136 OCCSc1cc(c(c(c1)O)O)O 62a_100000211926_100010658518 [0,2,0,0,0,0|1,1,0]=4 21412 B13R1.136 Oc1cc(cc(c1Cl)Cl)NCCF 34a_100015839415_100011217306 [0,2,0,0,0,0|2,0,0]=4 21413 B13R1.136 Oc1cc(cc(c1Cl)Cl)NCCF 7a_100015839415_100011217306 [0,2,0,0,0,0|2,0,0]=4 21414 B13R1.575 C#CCOc1ccc(c(c1)C#N)Cl 34a_100000092820_100000184674 [0,2,0,0,0,0|1,0,1]=4 21415 B13R1.575 C#CCOc1ccc(c(c1)C#N)Cl 7a_100000092820_100000038162 [0,2,0,0,0,0|1,0,1]=4 21416 B13R1.575 C#CCOc1ccc(c(c1)CC)Cl 34a_100000212063_100000184674 [0,2,0,0,0,0|1,0,1]=4 21417 B13R1.575 C#CCOc1ccc(c(c1)CC)Cl 7a_100000212063_100000038162 [0,2,0,0,0,0|1,0,1]=4 21418 B13R1.575 C#CCOc1ccc(c(c1)CO)Cl 34a_100000091669_100000184674 [0,2,0,0,0,0|1,0,1]=4 21419 B13R1.575 C#CCOc1ccc(c(c1)CO)Cl 7a_100000091669_100000038162 [0,2,0,0,0,0|1,0,1]=4 21420 B13R1.575 C#CCOc1ccc(c(c1)OC)Cl 34a_100012186310_100000184674 [0,2,0,0,0,0|1,0,1]=4 21421 B13R1.575 C#CCOc1ccc(c(c1)OC)Cl 7a_100012186310_100000038162 [0,2,0,0,0,0|1,0,1]=4 21422 B13R1.575 C#Cc1cc(ccc1C)NCCO 2230a_200012017271_100000211926 [0,2,0,0,0,0|2,0,0]=4 21423 B13R1.575 C#Cc1cc(ccc1C)NCCO 34a_200012017271_100000211926 [0,2,0,0,0,0|2,0,0]=4 21424 B13R1.575 C#Cc1cc(ccc1Cl)NCCC 2230a_103624766972_100000210303 [0,2,0,0,0,0|2,0,0]=4 21425 B13R1.575 C#Cc1cc(ccc1Cl)NCCC 34a_103624766972_100000210303 [0,2,0,0,0,0|2,0,0]=4 21426 B13R1.575 C#Cc1cc(ccc1Cl)NCCF 2230a_103624766972_100011217306 [0,2,0,0,0,0|2,0,0]=4 21427 B13R1.575 C#Cc1cc(ccc1Cl)NCCF 34a_103624766972_100011217306 [0,2,0,0,0,0|2,0,0]=4 21428 B13R1.575 C#Cc1cc(ccc1Cl)NCCO 2230a_103624766972_100000211926 [0,2,0,0,0,0|1,0,0]=3 21429 B13R1.575 C#Cc1cc(ccc1Cl)NCCO 34a_103624766972_100000211926 [0,2,0,0,0,0|1,0,0]=3 21430 B13R1.575 C#Cc1cc(ccc1F)NCCO 2230a_200011999510_100000211926 [0,2,0,0,0,0|1,1,0]=4 21431 B13R1.575 C#Cc1cc(ccc1F)NCCO 34a_200011999510_100000211926 [0,2,0,0,0,0|1,1,0]=4 21432 B13R1.575 C=CCOc1ccc(c(c1)C#N)Cl 34a_100000092820_100015514636 [0,2,0,0,0,0|1,0,1]=4 21433 B13R1.575 C=CCOc1ccc(c(c1)C#N)Cl 7a_100000092820_100015514636 [0,2,0,0,0,0|1,0,1]=4 21434 B13R1.575 C=CCOc1ccc(c(c1)CC)Cl 34a_100000212063_100015514636 [0,2,0,0,0,0|1,0,1]=4 21435 B13R1.575 C=CCOc1ccc(c(c1)CC)Cl 7a_100000212063_100015514636 [0,2,0,0,0,0|1,0,1]=4 21436 B13R1.575 C=CCOc1ccc(c(c1)CO)Cl 34a_100000091669_100015514636 [0,2,0,0,0,0|1,0,1]=4 21437 B13R1.575 C=CCOc1ccc(c(c1)CO)Cl 7a_100000091669_100015514636 [0,2,0,0,0,0|1,0,1]=4 21438 B13R1.575 C=CCOc1ccc(c(c1)OC)Cl 34a_100012186310_100015514636 [0,2,0,0,0,0|1,0,1]=4 21439 B13R1.575 C=CCOc1ccc(c(c1)OC)Cl 7a_100012186310_100015514636 [0,2,0,0,0,0|1,0,1]=4 21440 B13R1.575 C=Cc1cc(ccc1C)SCCO 271570a_100011290941_100010989109 [0,2,0,0,0,0|1,1,0]=4 21441 B13R1.575 C=Cc1cc(ccc1F)SCCO 62a_100000211926_100000688377 [0,2,0,0,0,0|0,2,0]=4 21442 B13R1.575 C=Cc1cc(ccc1F)SCCO 62a_100000688377_100000211926 [0,2,0,0,0,0|0,2,0]=4 21443 B13R1.575 CCCCc1ccc(c(c1)C#N)Cl 271570a_100020621405_100011356831 [0,2,0,0,0,0|2,0,0]=4 21444 B13R1.575 CCCCc1ccc(c(c1)C=O)Cl 271570a_100020621405_100010254384 [0,2,0,0,0,0|2,0,0]=4 21445 B13R1.575 CCCCc1ccc(c(c1)CO)Cl 271570a_100020621405_100010128486 [0,2,0,0,0,0|2,0,0]=4 21446 B13R1.575 CCCCc1ccc(c(c1)OC)Cl 271570a_100020621405_100011356853 [0,2,0,0,0,0|2,0,0]=4 21447 B13R1.575 CCCNc1ccc(c(c1)C#N)Cl 34a_100000239497_100000210303 [0,2,0,0,0,0|2,0,0]=4 21448 B13R1.575 CCCNc1ccc(c(c1)C#N)Cl 7a_100000239497_100000210303 [0,2,0,0,0,0|2,0,0]=4 21449 B13R1.575 CCCNc1ccc(c(c1)CO)Cl 2230a_100011273577_100000210303 [0,2,0,0,0,0|2,0,0]=4 21450 B13R1.575 CCCNc1ccc(c(c1)CO)Cl 34a_100011273577_100000210303 [0,2,0,0,0,0|2,0,0]=4 21451 B13R1.575 CCCNc1ccc(c(c1)OC)Cl 2230a_100000742311_100000210303 [0,2,0,0,0,0|2,0,0]=4 21452 B13R1.575 CCCNc1ccc(c(c1)OC)Cl 34a_100000742311_100000210303 [0,2,0,0,0,0|2,0,0]=4 21453 B13R1.575 CCCOc1ccc(c(c1)C#N)Br 34a_100009818209_100000210303 [0,2,0,0,0,0|1,1,0]=4 21454 B13R1.575 CCCOc1ccc(c(c1)C#N)Br 7a_100009818209_100000210303 [0,2,0,0,0,0|1,1,0]=4 21455 B13R1.575 CCCOc1ccc(c(c1)C#N)Cl 34a_100000092820_100000210303 [0,2,0,0,0,0|1,0,0]=3 21456 B13R1.575 CCCOc1ccc(c(c1)C#N)Cl 7a_100000092820_100000210303 [0,2,0,0,0,0|1,0,0]=3 21457 B13R1.575 CCCOc1ccc(c(c1)C#N)F 34a_100000070142_100000210303 [0,2,0,0,0,0|1,1,0]=4 21458 B13R1.575 CCCOc1ccc(c(c1)C#N)F 7a_100000070142_100000210303 [0,2,0,0,0,0|1,1,0]=4 21459 B13R1.575 CCCOc1ccc(c(c1)C#N)N 34a_200011997737_100000210303 [0,2,0,0,0,0|2,0,0]=4 21460 B13R1.575 CCCOc1ccc(c(c1)C#N)N 7a_200011997737_100000210303 [0,2,0,0,0,0|2,0,0]=4 21461 B13R1.575 CCCOc1ccc(c(c1)CC)Cl 34a_100000212063_100000210303 [0,2,0,0,0,0|1,0,0]=3 21462 B13R1.575 CCCOc1ccc(c(c1)CC)Cl 7a_100000212063_100000210303 [0,2,0,0,0,0|1,0,0]=3 21463 B13R1.575 CCCOc1ccc(c(c1)CN)C 34a_200009844824_100000210303 [0,2,0,0,0,0|2,0,0]=4 21464 B13R1.575 CCCOc1ccc(c(c1)CO)Br 34a_100012351483_100000210303 [0,2,0,0,0,0|1,1,0]=4 21465 B13R1.575 CCCOc1ccc(c(c1)CO)Br 7a_100012351483_100000210303 [0,2,0,0,0,0|1,1,0]=4 21466 B13R1.575 CCCOc1ccc(c(c1)CO)C 34a_100009878257_100000210303 [0,2,0,0,0,0|2,0,0]=4 21467 B13R1.575 CCCOc1ccc(c(c1)CO)C 7a_100009878257_100000210303 [0,2,0,0,0,0|2,0,0]=4 21468 B13R1.575 CCCOc1ccc(c(c1)CO)Cl 34a_100000091669_100000210303 [0,2,0,0,0,0|1,0,0]=3 21469 B13R1.575 CCCOc1ccc(c(c1)CO)Cl 7a_100000091669_100000210303 [0,2,0,0,0,0|1,0,0]=3 21470 B13R1.575 CCCOc1ccc(c(c1)OC)Br 34a_100011827694_100000210303 [0,2,0,0,0,0|1,1,0]=4 21471 B13R1.575 CCCOc1ccc(c(c1)OC)Br 7a_100011827694_100000210303 [0,2,0,0,0,0|1,1,0]=4 21472 B13R1.575 CCCOc1ccc(c(c1)OC)C 34a_100009865632_100000210303 [0,2,0,0,0,0|2,0,0]=4 21473 B13R1.575 CCCOc1ccc(c(c1)OC)C 7a_100009865632_100000210303 [0,2,0,0,0,0|2,0,0]=4 21474 B13R1.575 CCCOc1ccc(c(c1)OC)Cl 34a_100012186310_100000210303 [0,2,0,0,0,0|1,0,0]=3 21475 B13R1.575 CCCOc1ccc(c(c1)OC)Cl 7a_100012186310_100000210303 [0,2,0,0,0,0|1,0,0]=3 21476 B13R1.575 CCCOc1ccc(c(c1)OC)F 34a_100012001760_100000210303 [0,2,0,0,0,0|1,1,0]=4 21477 B13R1.575 CCCOc1ccc(c(c1)OC)F 7a_100012001760_100000210303 [0,2,0,0,0,0|1,1,0]=4 21478 B13R1.575 CCCOc1ccc(c(c1)OC)N 34a_100015326901_100000210303 [0,2,0,0,0,0|2,0,0]=4 21479 B13R1.575 CCCOc1ccc(c(c1)OC)N 7a_100015326901_100000210303 [0,2,0,0,0,0|2,0,0]=4 21480 B13R1.575 CCCSc1ccc(c(c1)C#N)Cl 62a_100000210303_100011356831 [0,2,0,0,0,0|1,1,0]=4 21481 B13R1.575 CCCSc1ccc(c(c1)C=O)Cl 62a_100000210303_100010254384 [0,2,0,0,0,0|1,1,0]=4 21482 B13R1.575 CCCSc1ccc(c(c1)C=O)Cl 62a_100010254384_100000210303 [0,2,0,0,0,0|1,1,0]=4 21483 B13R1.575 CCCSc1ccc(c(c1)CO)Cl 62a_100000210303_100010128486 [0,2,0,0,0,0|1,1,0]=4 21484 B13R1.575 CCCSc1ccc(c(c1)CO)Cl 62a_100010128486_100000210303 [0,2,0,0,0,0|1,1,0]=4 21485 B13R1.575 CCCSc1ccc(c(c1)OC)Cl 62a_100000210303_100011356853 [0,2,0,0,0,0|1,1,0]=4 21486 B13R1.575 CCCSc1ccc(c(c1)OC)Cl 62a_100011356853_100000210303 [0,2,0,0,0,0|1,1,0]=4 21487 B13R1.575 CCc1cc(ccc1Br)NCCO 2230a_100010109747_100000211926 [0,2,0,0,0,0|1,1,0]=4 21488 B13R1.575 CCc1cc(ccc1Br)NCCO 34a_100010109747_100000211926 [0,2,0,0,0,0|1,1,0]=4 21489 B13R1.575 CCc1cc(ccc1Br)NCCO 7a_100010109747_100000211926 [0,2,0,0,0,0|1,1,0]=4 21490 B13R1.575 CCc1cc(ccc1Br)SCCO 62a_100000211926_100010244631 [0,2,0,0,0,0|0,2,0]=4 21491 B13R1.575 CCc1cc(ccc1Br)SCCO 62a_100010244631_100000211926 [0,2,0,0,0,0|0,2,0]=4 21492 B13R1.575 CCc1cc(ccc1Cl)OCC#N 7a_100000212063_100011215382 [0,2,0,0,0,0|1,0,1]=4 21493 B13R1.575 CCc1cc(ccc1Cl)OCC=O 34a_100000212063_200009817547 [0,2,0,0,0,0|0,0,2]=4 21494 B13R1.575 CCc1cc(ccc1Cl)OCC=O 7a_100000212063_200015260668 [0,2,0,0,0,0|0,0,2]=4 21495 B13R1.575 CCc1cc(ccc1Cl)OCCF 34a_100000212063_100011217306 [0,2,0,0,0,0|1,0,0]=3 21496 B13R1.575 CCc1cc(ccc1Cl)OCCF 7a_100000212063_100011217306 [0,2,0,0,0,0|1,0,0]=3 21497 B13R1.575 CCc1cc(ccc1Cl)OCCO 34a_100000212063_100000211926 [0,2,0,0,0,0|0,0,0]=2 21498 B13R1.575 CCc1cc(ccc1Cl)OCCO 7a_100000212063_100000211926 [0,2,0,0,0,0|0,0,0]=2 21499 B13R1.575 CCc1cc(ccc1Cl)OCSC 34a_100000212063_100011218213 [0,2,0,0,0,0|2,0,0]=4 21500 B13R1.575 CCc1cc(ccc1F)SCCO 62a_100000211926_100010244625 [0,2,0,0,0,0|0,2,0]=4 21501 B13R1.575 CCc1cc(ccc1F)SCCO 62a_100010244625_100000211926 [0,2,0,0,0,0|0,2,0]=4 21502 B13R1.575 CCc1cc(ccc1N)SCCO 62a_100000211926_100000686106 [0,2,0,0,0,0|1,1,0]=4 21503 B13R1.575 CCc1cc(ccc1N)SCCO 62a_100000686106_100000211926 [0,2,0,0,0,0|1,1,0]=4 21504 B13R1.575 CCc1cc(ccc1O)SCCO 62a_100000211926_100012338938 [0,2,0,0,0,0|1,1,0]=4 21505 B13R1.575 CNc1cc(ccc1C)OCCO 2230a_100012283766_200000210301 [0,2,0,0,0,0|1,0,0]=3 21506 B13R1.575 CNc1cc(ccc1C)OCCO 34a_100012283766_200000210301 [0,2,0,0,0,0|1,0,0]=3 21507 B13R1.575 CNc1cc(ccc1C)OCCO 7a_100012283766_200000210301 [0,2,0,0,0,0|1,0,0]=3 21508 B13R1.575 CNc1cc(ccc1C)SCCO 62a_100000211926_100020629602 [0,2,0,0,0,0|1,1,0]=4 21509 B13R1.575 CNc1cc(ccc1C)SCCO 62a_100020629602_100000211926 [0,2,0,0,0,0|1,1,0]=4 21510 B13R1.575 CNc1cc(ccc1F)SCCO 62a_100000211926_100011314990 [0,2,0,0,0,0|0,2,0]=4 21511 B13R1.575 CNc1cc(ccc1F)SCCO 62a_100011314990_100000211926 [0,2,0,0,0,0|0,2,0]=4 21512 B13R1.575 CNc1cc(ccc1N)SCCO 62a_100000694363_100000211926 [0,2,0,0,0,0|1,1,0]=4 21513 B13R1.575 COc1cc(ccc1Br)NCCO 2230a_100000765947_100000211926 [0,2,0,0,0,0|1,1,0]=4 21514 B13R1.575 COc1cc(ccc1Br)NCCO 34a_100000765947_100000211926 [0,2,0,0,0,0|1,1,0]=4 21515 B13R1.575 COc1cc(ccc1Br)OCCF 34a_100011827694_100011217306 [0,2,0,0,0,0|1,1,0]=4 21516 B13R1.575 COc1cc(ccc1Br)OCCF 7a_100011827694_100011217306 [0,2,0,0,0,0|1,1,0]=4 21517 B13R1.575 COc1cc(ccc1Br)OCCO 34a_100011827694_100000211926 [0,2,0,0,0,0|0,1,0]=3 21518 B13R1.575 COc1cc(ccc1Br)OCCO 7a_100011827694_100000211926 [0,2,0,0,0,0|0,1,0]=3 21519 B13R1.575 COc1cc(ccc1Br)SCCO 62a_100000211926_100012353699 [0,2,0,0,0,0|0,2,0]=4 21520 B13R1.575 COc1cc(ccc1Br)SCCO 62a_100012353699_100000211926 [0,2,0,0,0,0|0,2,0]=4 21521 B13R1.575 COc1cc(ccc1C)NCCO 2230a_100011279678_100000211926 [0,2,0,0,0,0|2,0,0]=4 21522 B13R1.575 COc1cc(ccc1C)NCCO 34a_100000057592_200000210301 [0,2,0,0,0,0|2,0,0]=4 21523 B13R1.575 COc1cc(ccc1C)NCCO 34a_100011279678_100000211926 [0,2,0,0,0,0|2,0,0]=4 21524 B13R1.575 COc1cc(ccc1C)NCCO 7a_100000057592_200000210301 [0,2,0,0,0,0|2,0,0]=4 21525 B13R1.575 COc1cc(ccc1C)OCCF 34a_100009865632_100011217306 [0,2,0,0,0,0|2,0,0]=4 21526 B13R1.575 COc1cc(ccc1C)OCCF 7a_100009865632_100011217306 [0,2,0,0,0,0|2,0,0]=4 21527 B13R1.575 COc1cc(ccc1C)OCCO 34a_100009865632_100000211926 [0,2,0,0,0,0|1,0,0]=3 21528 B13R1.575 COc1cc(ccc1C)OCCO 7a_100009865632_100000211926 [0,2,0,0,0,0|1,0,0]=3 21529 B13R1.575 COc1cc(ccc1C)SCCO 62a_100000211926_100011830276 [0,2,0,0,0,0|1,1,0]=4 21530 B13R1.575 COc1cc(ccc1C)SCCO 62a_100011830276_100000211926 [0,2,0,0,0,0|1,1,0]=4 21531 B13R1.575 COc1cc(ccc1Cl)NCCF 2230a_100000742311_100011217306 [0,2,0,0,0,0|2,0,0]=4 21532 B13R1.575 COc1cc(ccc1Cl)NCCF 34a_100000742311_100011217306 [0,2,0,0,0,0|2,0,0]=4 21533 B13R1.575 COc1cc(ccc1Cl)NCCO 2230a_100000742311_100000211926 [0,2,0,0,0,0|1,0,0]=3 21534 B13R1.575 COc1cc(ccc1Cl)NCCO 34a_100000742311_100000211926 [0,2,0,0,0,0|1,0,0]=3 21535 B13R1.575 COc1cc(ccc1Cl)OCC#N 7a_100012186310_100011215382 [0,2,0,0,0,0|1,0,1]=4 21536 B13R1.575 COc1cc(ccc1Cl)OCC=O 34a_100012186310_200009817547 [0,2,0,0,0,0|0,0,2]=4 21537 B13R1.575 COc1cc(ccc1Cl)OCC=O 7a_100012186310_200015260668 [0,2,0,0,0,0|0,0,2]=4 21538 B13R1.575 COc1cc(ccc1Cl)OCCF 34a_100012186310_100011217306 [0,2,0,0,0,0|1,0,0]=3 21539 B13R1.575 COc1cc(ccc1Cl)OCCF 7a_100012186310_100011217306 [0,2,0,0,0,0|1,0,0]=3 21540 B13R1.575 COc1cc(ccc1Cl)OCCO 34a_100012186310_100000211926 [0,2,0,0,0,0|0,0,0]=2 21541 B13R1.575 COc1cc(ccc1Cl)OCCO 7a_100012186310_100000211926 [0,2,0,0,0,0|0,0,0]=2 21542 B13R1.575 COc1cc(ccc1Cl)OCSC 34a_100012186310_100011218213 [0,2,0,0,0,0|2,0,0]=4 21543 B13R1.575 COc1cc(ccc1Cl)SCCF 62a_100011217306_100011356853 [0,2,0,0,0,0|1,1,0]=4 21544 B13R1.575 COc1cc(ccc1Cl)SCCF 62a_100011356853_100011217306 [0,2,0,0,0,0|1,1,0]=4 21545 B13R1.575 COc1cc(ccc1Cl)SCCO 62a_100000211926_100011356853 [0,2,0,0,0,0|0,1,0]=3 21546 B13R1.575 COc1cc(ccc1Cl)SCCO 62a_100011356853_100000211926 [0,2,0,0,0,0|0,1,0]=3 21547 B13R1.575 COc1cc(ccc1F)NCCO 2230a_100000701188_100000211926 [0,2,0,0,0,0|1,1,0]=4 21548 B13R1.575 COc1cc(ccc1F)NCCO 34a_100000701188_100000211926 [0,2,0,0,0,0|1,1,0]=4 21549 B13R1.575 COc1cc(ccc1F)OCCF 34a_100012001760_100011217306 [0,2,0,0,0,0|1,1,0]=4 21550 B13R1.575 COc1cc(ccc1F)OCCF 7a_100012001760_100011217306 [0,2,0,0,0,0|1,1,0]=4 21551 B13R1.575 COc1cc(ccc1F)OCCO 34a_100012001760_100000211926 [0,2,0,0,0,0|0,1,0]=3 21552 B13R1.575 COc1cc(ccc1F)OCCO 7a_100012001760_100000211926 [0,2,0,0,0,0|0,1,0]=3 21553 B13R1.575 COc1cc(ccc1F)SCCO 62a_100000211926_100011934186 [0,2,0,0,0,0|0,2,0]=4 21554 B13R1.575 COc1cc(ccc1F)SCCO 62a_100011934186_100000211926 [0,2,0,0,0,0|0,2,0]=4 21555 B13R1.575 COc1cc(ccc1I)NCCO 34a_100000746945_100000211926 [0,2,0,0,0,0|1,1,0]=4 21556 B13R1.575 COc1cc(ccc1N)OCCF 34a_100015326901_100011217306 [0,2,0,0,0,0|2,0,0]=4 21557 B13R1.575 COc1cc(ccc1N)OCCF 7a_100015326901_100011217306 [0,2,0,0,0,0|2,0,0]=4 21558 B13R1.575 COc1cc(ccc1N)OCCO 34a_100015326901_100000211926 [0,2,0,0,0,0|1,0,0]=3 21559 B13R1.575 COc1cc(ccc1N)OCCO 7a_100015326901_100000211926 [0,2,0,0,0,0|1,0,0]=3 21560 B13R1.575 COc1cc(ccc1N)SCCO 62a_100000211926_100015196925 [0,2,0,0,0,0|1,1,0]=4 21561 B13R1.575 COc1cc(ccc1N)SCCO 62a_100011279103_100000211926 [0,2,0,0,0,0|1,1,0]=4 21562 B13R1.575 COc1cc(ccc1O)NCCO 34a_100000726020_100000211926 [0,2,0,0,0,0|2,0,0]=4 21563 B13R1.575 COc1cc(ccc1O)SCCO 62a_100000211926_100000694246 [0,2,0,0,0,0|1,1,0]=4 21564 B13R1.575 CSCOc1ccc(c(c1)C#N)Cl 34a_100000092820_100011218213 [0,2,0,0,0,0|2,0,0]=4 21565 B13R1.575 CSCOc1ccc(c(c1)CO)Cl 34a_100000091669_100011218213 [0,2,0,0,0,0|2,0,0]=4 21566 B13R1.575 CSc1cc(ccc1C)SCCO 62a_100010989109_200000210301 [0,2,0,0,0,0|1,1,0]=4 21567 B13R1.575 CSc1cc(ccc1C)SCCO 62a_200000210301_100010989109 [0,2,0,0,0,0|1,1,0]=4 21568 B13R1.575 CSc1cc(ccc1F)SCCO 62a_100000211926_100010341305 [0,2,0,0,0,0|0,2,0]=4 21569 B13R1.575 CSc1cc(ccc1F)SCCO 62a_100010341305_100000211926 [0,2,0,0,0,0|0,2,0]=4 21570 B13R1.575 Cc1ccc(cc1C#N)NCCO 34a_100011216687_100000211926 [0,2,0,0,0,0|2,0,0]=4 21571 B13R1.575 Cc1ccc(cc1C#N)NCCO 7a_100011216687_100000211926 [0,2,0,0,0,0|2,0,0]=4 21572 B13R1.575 Cc1ccc(cc1C#N)SCCO 62a_100000211926_100011356939 [0,2,0,0,0,0|1,1,0]=4 21573 B13R1.575 Cc1ccc(cc1C=O)SCCO 62a_100000211926_100011361606 [0,2,0,0,0,0|1,1,0]=4 21574 B13R1.575 Cc1ccc(cc1C=O)SCCO 62a_100011361606_100000211926 [0,2,0,0,0,0|1,1,0]=4 21575 B13R1.575 Cc1ccc(cc1CN)OCCF 34a_200009844824_100011217306 [0,2,0,0,0,0|2,0,0]=4 21576 B13R1.575 Cc1ccc(cc1CN)OCCO 34a_200009844824_100000211926 [0,2,0,0,0,0|1,0,0]=3 21577 B13R1.575 Cc1ccc(cc1CO)OCCF 34a_100009878257_100011217306 [0,2,0,0,0,0|2,0,0]=4 21578 B13R1.575 Cc1ccc(cc1CO)OCCF 7a_100009878257_100011217306 [0,2,0,0,0,0|2,0,0]=4 21579 B13R1.575 Cc1ccc(cc1CO)OCCO 34a_100009878257_100000211926 [0,2,0,0,0,0|1,0,0]=3 21580 B13R1.575 Cc1ccc(cc1CO)OCCO 7a_100009878257_100000211926 [0,2,0,0,0,0|1,0,0]=3 21581 B13R1.575 Cc1ccc(cc1CO)SCCO 62a_100000211926_100000700630 [0,2,0,0,0,0|1,1,0]=4 21582 B13R1.575 Cc1ccc(cc1CO)SCCO 62a_100000700630_100000211926 [0,2,0,0,0,0|1,1,0]=4 21583 B13R1.575 Cc1ccc(cc1N[13CH3])OCCO 2230a_100012283766_200025704644 [0,2,0,0,0,0|1,0,0]=3 21584 B13R1.575 Cc1ccc(cc1N[13CH3])OCCO 34a_100012283766_200025704644 [0,2,0,0,0,0|1,0,0]=3 21585 B13R1.575 Cc1ccc(cc1N[13CH3])OCCO 7a_100012283766_200025704644 [0,2,0,0,0,0|1,0,0]=3 21586 B13R1.575 Cc1ccc(cc1O[13CH3])NCCO 34a_100000057592_200025704644 [0,2,0,0,0,0|2,0,0]=4 21587 B13R1.575 Cc1ccc(cc1O[13CH3])NCCO 7a_100000057592_200025704644 [0,2,0,0,0,0|2,0,0]=4 21588 B13R1.575 Cc1ccc(cc1S[13CH3])SCCO 62a_100010989109_200025704644 [0,2,0,0,0,0|1,1,0]=4 21589 B13R1.575 Cc1ccc(cc1S[13CH3])SCCO 62a_200025704644_100010989109 [0,2,0,0,0,0|1,1,0]=4 21590 B13R1.575 N#CCOc1ccc(c(c1)C#N)Cl 7a_100000092820_100011215382 [0,2,0,0,0,0|1,0,1]=4 21591 B13R1.575 N#CCOc1ccc(c(c1)CO)Cl 7a_100000091669_100011215382 [0,2,0,0,0,0|1,0,1]=4 21592 B13R1.575 N#Cc1cc(ccc1Br)NCCO 34a_100011934039_100000211926 [0,2,0,0,0,0|1,1,0]=4 21593 B13R1.575 N#Cc1cc(ccc1Br)NCCO 7a_100011934039_100000211926 [0,2,0,0,0,0|1,1,0]=4 21594 B13R1.575 N#Cc1cc(ccc1Br)OCCF 34a_100009818209_100011217306 [0,2,0,0,0,0|1,1,0]=4 21595 B13R1.575 N#Cc1cc(ccc1Br)OCCF 7a_100009818209_100011217306 [0,2,0,0,0,0|1,1,0]=4 21596 B13R1.575 N#Cc1cc(ccc1Br)OCCO 34a_100009818209_100000211926 [0,2,0,0,0,0|0,1,0]=3 21597 B13R1.575 N#Cc1cc(ccc1Br)OCCO 7a_100009818209_100000211926 [0,2,0,0,0,0|0,1,0]=3 21598 B13R1.575 N#Cc1cc(ccc1Br)SCCO 62a_100000211926_100012355174 [0,2,0,0,0,0|0,2,0]=4 21599 B13R1.575 N#Cc1cc(ccc1Br)SCCO 62a_100012355174_100000211926 [0,2,0,0,0,0|0,2,0]=4 21600 B13R1.575 N#Cc1cc(ccc1Cl)NCCF 34a_100000239497_100011217306 [0,2,0,0,0,0|2,0,0]=4 21601 B13R1.575 N#Cc1cc(ccc1Cl)NCCF 7a_100000239497_100011217306 [0,2,0,0,0,0|2,0,0]=4 21602 B13R1.575 N#Cc1cc(ccc1Cl)NCCO 34a_100000239497_100000211926 [0,2,0,0,0,0|1,0,0]=3 21603 B13R1.575 N#Cc1cc(ccc1Cl)NCCO 7a_100000239497_100000211926 [0,2,0,0,0,0|1,0,0]=3 21604 B13R1.575 N#Cc1cc(ccc1Cl)OCC=O 34a_100000092820_200009817547 [0,2,0,0,0,0|0,0,2]=4 21605 B13R1.575 N#Cc1cc(ccc1Cl)OCC=O 7a_100000092820_200015260668 [0,2,0,0,0,0|0,0,2]=4 21606 B13R1.575 N#Cc1cc(ccc1Cl)OCCF 34a_100000092820_100011217306 [0,2,0,0,0,0|1,0,0]=3 21607 B13R1.575 N#Cc1cc(ccc1Cl)OCCF 7a_100000092820_100011217306 [0,2,0,0,0,0|1,0,0]=3 21608 B13R1.575 N#Cc1cc(ccc1Cl)OCCO 34a_100000092820_100000211926 [0,2,0,0,0,0|0,0,0]=2 21609 B13R1.575 N#Cc1cc(ccc1Cl)OCCO 7a_100000092820_100000211926 [0,2,0,0,0,0|0,0,0]=2 21610 B13R1.575 N#Cc1cc(ccc1Cl)SCCF 62a_100011217306_100011356831 [0,2,0,0,0,0|1,1,0]=4 21611 B13R1.575 N#Cc1cc(ccc1Cl)SCCO 62a_100000211926_100011356831 [0,2,0,0,0,0|0,1,0]=3 21612 B13R1.575 N#Cc1cc(ccc1F)NCCO 34a_100000748589_100000211926 [0,2,0,0,0,0|1,1,0]=4 21613 B13R1.575 N#Cc1cc(ccc1F)NCCO 7a_100000748589_100000211926 [0,2,0,0,0,0|1,1,0]=4 21614 B13R1.575 N#Cc1cc(ccc1F)OCCF 34a_100000070142_100011217306 [0,2,0,0,0,0|1,1,0]=4 21615 B13R1.575 N#Cc1cc(ccc1F)OCCF 7a_100000070142_100011217306 [0,2,0,0,0,0|1,1,0]=4 21616 B13R1.575 N#Cc1cc(ccc1F)OCCO 34a_100000070142_100000211926 [0,2,0,0,0,0|0,1,0]=3 21617 B13R1.575 N#Cc1cc(ccc1F)OCCO 7a_100000070142_100000211926 [0,2,0,0,0,0|0,1,0]=3 21618 B13R1.575 N#Cc1cc(ccc1F)SCCO 62a_100000211926_100000037165 [0,2,0,0,0,0|0,2,0]=4 21619 B13R1.575 N#Cc1cc(ccc1N)OCCF 34a_200011997737_100011217306 [0,2,0,0,0,0|2,0,0]=4 21620 B13R1.575 N#Cc1cc(ccc1N)OCCF 7a_200011997737_100011217306 [0,2,0,0,0,0|2,0,0]=4 21621 B13R1.575 N#Cc1cc(ccc1N)OCCO 34a_200011997737_100000211926 [0,2,0,0,0,0|1,0,0]=3 21622 B13R1.575 N#Cc1cc(ccc1N)OCCO 7a_200011997737_100000211926 [0,2,0,0,0,0|1,0,0]=3 21623 B13R1.575 N#Cc1cc(ccc1N)SCCO 62a_100000211926_100000688460 [0,2,0,0,0,0|1,1,0]=4 21624 B13R1.575 N#Cc1cc(ccc1O)NCCO 34a_100011249283_100000211926 [0,2,0,0,0,0|2,0,0]=4 21625 B13R1.575 N#Cc1cc(ccc1O)SCCO 62a_100000211926_100000687585 [0,2,0,0,0,0|1,1,0]=4 21626 B13R1.575 N#Cc1cc(cnc1Cl)SCCO 62a_100000211926_100012357031 [0,2,0,0,0,0|1,1,0]=4 21627 B13R1.575 NCc1cc(ccc1F)SCCO 62a_100000211926_100009815772 [0,2,0,0,0,0|0,2,0]=4 21628 B13R1.575 NCc1cc(ccc1F)SCCO 62a_100009815772_100000211926 [0,2,0,0,0,0|0,2,0]=4 21629 B13R1.575 NCc1cc(ccc1N)SCCO 62a_100000211926_100012349119 [0,2,0,0,0,0|1,1,0]=4 21630 B13R1.575 NCc1cc(ccc1N)SCCO 62a_100012349119_100000211926 [0,2,0,0,0,0|1,1,0]=4 21631 B13R1.575 NCc1cc(ccc1O)SCCO 62a_100000211926_100000730032 [0,2,0,0,0,0|1,1,0]=4 21632 B13R1.575 NCc1cc(ccc1O)SCCO 62a_100000730032_100000211926 [0,2,0,0,0,0|1,1,0]=4 21633 B13R1.575 NNc1cc(ccc1F)SCCO 62a_100000211926_100020610843 [0,2,0,0,0,0|0,2,0]=4 21634 B13R1.575 NNc1cc(ccc1F)SCCO 62a_100020610843_100000211926 [0,2,0,0,0,0|0,2,0]=4 21635 B13R1.575 Nc1ccc(cc1C=O)SCCO 62a_100011935258_100000211926 [0,2,0,0,0,0|1,1,0]=4 21636 B13R1.575 Nc1ccc(cc1CO)SCCO 62a_100000211926_100012353972 [0,2,0,0,0,0|1,1,0]=4 21637 B13R1.575 Nc1ccc(cc1CO)SCCO 62a_100012353972_100000211926 [0,2,0,0,0,0|1,1,0]=4 21638 B13R1.575 O=CCOc1ccc(c(c1)CO)Cl 34a_100000091669_200009817547 [0,2,0,0,0,0|0,0,2]=4 21639 B13R1.575 O=CCOc1ccc(c(c1)CO)Cl 7a_100000091669_200015260668 [0,2,0,0,0,0|0,0,2]=4 21640 B13R1.575 O=Cc1cc(ccc1Br)SCCO 62a_100000211926_100010185652 [0,2,0,0,0,0|0,2,0]=4 21641 B13R1.575 O=Cc1cc(ccc1Br)SCCO 62a_100010185652_100000211926 [0,2,0,0,0,0|0,2,0]=4 21642 B13R1.575 O=Cc1cc(ccc1Cl)SCCF 62a_100010254384_100011217306 [0,2,0,0,0,0|1,1,0]=4 21643 B13R1.575 O=Cc1cc(ccc1Cl)SCCF 62a_100011217306_100010254384 [0,2,0,0,0,0|1,1,0]=4 21644 B13R1.575 O=Cc1cc(ccc1Cl)SCCO 62a_100000211926_100010254384 [0,2,0,0,0,0|0,1,0]=3 21645 B13R1.575 O=Cc1cc(ccc1Cl)SCCO 62a_100010254384_100000211926 [0,2,0,0,0,0|0,1,0]=3 21646 B13R1.575 O=Cc1cc(ccc1F)SCCO 62a_100000050626_100000211926 [0,2,0,0,0,0|0,2,0]=4 21647 B13R1.575 O=Cc1cc(ccc1F)SCCO 62a_100000211926_100000050626 [0,2,0,0,0,0|0,2,0]=4 21648 B13R1.575 O=Cc1cc(ccc1O)SCCO 62a_100000211926_100000186750 [0,2,0,0,0,0|1,1,0]=4 21649 B13R1.575 OCCNc1ccc(c(c1)CO)Br 2230a_100012347228_100000211926 [0,2,0,0,0,0|1,1,0]=4 21650 B13R1.575 OCCNc1ccc(c(c1)CO)Br 34a_100012347228_100000211926 [0,2,0,0,0,0|1,1,0]=4 21651 B13R1.575 OCCNc1ccc(c(c1)CO)Cl 2230a_100011273577_100000211926 [0,2,0,0,0,0|1,0,0]=3 21652 B13R1.575 OCCNc1ccc(c(c1)CO)Cl 34a_100011273577_100000211926 [0,2,0,0,0,0|1,0,0]=3 21653 B13R1.575 OCCNc1ccc(c(c1)CO)F 34a_100011218011_100000211926 [0,2,0,0,0,0|1,1,0]=4 21654 B13R1.575 OCCOc1ccc(c(c1)CO)Br 34a_100012351483_100000211926 [0,2,0,0,0,0|0,1,0]=3 21655 B13R1.575 OCCOc1ccc(c(c1)CO)Br 7a_100012351483_100000211926 [0,2,0,0,0,0|0,1,0]=3 21656 B13R1.575 OCCOc1ccc(c(c1)CO)Cl 34a_100000091669_100000211926 [0,2,0,0,0,0|0,0,0]=2 21657 B13R1.575 OCCOc1ccc(c(c1)CO)Cl 7a_100000091669_100000211926 [0,2,0,0,0,0|0,0,0]=2 21658 B13R1.575 OCCSc1ccc(c(c1)CO)Br 62a_100000211926_100012359683 [0,2,0,0,0,0|0,2,0]=4 21659 B13R1.575 OCCSc1ccc(c(c1)CO)Br 62a_100012359683_100000211926 [0,2,0,0,0,0|0,2,0]=4 21660 B13R1.575 OCCSc1ccc(c(c1)CO)Cl 62a_100000211926_100010128486 [0,2,0,0,0,0|0,1,0]=3 21661 B13R1.575 OCCSc1ccc(c(c1)CO)Cl 62a_100010128486_100000211926 [0,2,0,0,0,0|0,1,0]=3 21662 B13R1.575 OCCSc1ccc(c(c1)CO)F 62a_100000211926_100000246282 [0,2,0,0,0,0|0,2,0]=4 21663 B13R1.575 OCCSc1ccc(c(c1)CO)F 62a_100000246282_100000211926 [0,2,0,0,0,0|0,2,0]=4 21664 B13R1.575 OCCSc1ccc(c(c1)CO)O 62a_100000184703_100000211926 [0,2,0,0,0,0|1,1,0]=4 21665 B13R1.575 OCCSc1ccc(c(c1)CO)O 62a_100000211926_100000184703 [0,2,0,0,0,0|1,1,0]=4 21666 B13R1.575 OCc1cc(ccc1Br)OCCF 34a_100012351483_100011217306 [0,2,0,0,0,0|1,1,0]=4 21667 B13R1.575 OCc1cc(ccc1Br)OCCF 7a_100012351483_100011217306 [0,2,0,0,0,0|1,1,0]=4 21668 B13R1.575 OCc1cc(ccc1Cl)NCCF 2230a_100011273577_100011217306 [0,2,0,0,0,0|2,0,0]=4 21669 B13R1.575 OCc1cc(ccc1Cl)NCCF 34a_100011273577_100011217306 [0,2,0,0,0,0|2,0,0]=4 21670 B13R1.575 OCc1cc(ccc1Cl)OCCF 34a_100000091669_100011217306 [0,2,0,0,0,0|1,0,0]=3 21671 B13R1.575 OCc1cc(ccc1Cl)OCCF 7a_100000091669_100011217306 [0,2,0,0,0,0|1,0,0]=3 21672 B13R1.575 OCc1cc(ccc1Cl)SCCF 62a_100010128486_100011217306 [0,2,0,0,0,0|1,1,0]=4 21673 B13R1.575 OCc1cc(ccc1Cl)SCCF 62a_100011217306_100010128486 [0,2,0,0,0,0|1,1,0]=4 21674 B11R1.41 C=Cc1ccccc1CCO 271570a_100011290941_100000731337 [0,0,1,1,0,0|2,0,0]=4 21675 B11R1.280 C=Cc1ccc(c(c1)CO)Cl 271570a_100011290941_100010128486 [0,0,1,1,0,0|1,0,1]=4 21676 B11R1.189 C=Cc1cccc(c1)CCO 271570a_100011290941_100011217444 [0,0,1,1,0,0|2,0,0]=4 21677 B11R1.189 C=Cc1cccc(n1)CCO 271570a_100011290941_100010221043 [0,0,1,1,0,0|2,0,0]=4 21678 B11R2.34 Brc1ccc(cc1)C2CC2 271570a_100011220607_100000752885 [1,0,0,1,0,0|1,1,0]=4 21679 B11R2.34 Cc1ccc(cc1)C2CC2 271570a_100011220607_100000186775 [1,0,0,1,0,0|2,0,0]=4 21680 B11R2.34 Clc1ccc(cc1)C2CC2 271570a_100011220607_100000755918 [1,0,0,1,0,0|1,0,0]=3 21681 B11R2.34 Clc1ccc(cn1)C2CC2 271570a_100011220607_100000034144 [1,0,0,1,0,0|2,0,0]=4 21682 B11R2.34 Clc1ccc(nc1)C2CC2 271570a_100011220607_100011356976 [1,0,0,1,0,0|2,0,0]=4 21683 B11R2.34 Fc1ccc(cc1)C2CC2 271570a_100011220607_100000211213 [1,0,0,1,0,0|1,1,0]=4 21684 B11R2.34 Nc1ccc(cc1)C2CC2 271570a_100011220607_100000185761 [1,0,0,1,0,0|2,0,0]=4 21685 B11R2.34 Oc1ccc(cc1)C2CC2 271570a_100011220607_100000185759 [1,0,0,1,0,0|2,0,0]=4 21686 B11R2.34 Oc1ccc(cc1)C2CC2 271570a_203496583355_100009820665 [1,0,0,1,0,0|2,0,0]=4 21687 B11R2.36 Oc1cc2c(cn1)OCC2 271570a_203496583355_102495363667 [1,0,0,1,0,0|2,0,0]=4 21688 B11R2.36 Oc1ccc2c(c1)CCC2 271570a_203496583355_100000745594 [1,0,0,1,0,0|2,0,0]=4 21689 B11R2.36 Oc1ccc2c(c1)CCN2 271570a_203496583355_100000026929 [1,0,0,1,0,0|2,0,0]=4 21690 B11R2.36 Oc1ccc2c(c1)CCO2 271570a_203496583355_100000729065 [1,0,0,1,0,0|1,0,0]=3 21691 B11R2.36 Oc1ccc2c(c1)NCC2 271570a_203496583355_100000754641 [1,0,0,1,0,0|2,0,0]=4 21692 B11R2.36 Oc1ccc2c(c1)OCC2 271570a_203496583355_100009818566 [1,0,0,1,0,0|1,0,0]=3 21693 B11R2.36 Oc1ccc2c(c1)OCO2 271570a_203496583355_100000688060 [1,0,0,1,0,0|1,0,0]=3 21694 B11R2.1 Oc1coc2c1cccc2 271570a_203496583355_100009812202 [1,0,0,1,0,0|0,0,2]=4 21695 B11R2.238 c1cc(ccn1)OC2CC2 34a_100000212176_100000211595 [1,0,0,1,0,0|2,0,0]=4 21696 B11R2.238 c1ccc(cc1)NC2CC2 34a_100000106764_100000211595 [1,0,0,1,0,0|2,0,0]=4 21697 B11R2.238 c1ccc(cc1)OC2CC2 34a_100000210340_100000211595 [1,0,0,1,0,0|1,0,0]=3 21698 B11R2.238 c1ccc(cc1)SC2CC2 62a_100000719477_100000211595 [1,0,0,1,0,0|1,1,0]=4 21699 B11R2.238 c1cncc(c1)OC2CC2 34a_100000210849_100000211595 [1,0,0,1,0,0|2,0,0]=4 21700 B13R2.12 Brc1ccc(cc1)C2=COCC2 271570a_100000118173_100000752885 [0,1,0,1,0,0|1,1,0]=4 21701 B13R2.12 Cc1ccc(cc1)C2=COCC2 271570a_100000118173_100000186775 [0,1,0,1,0,0|2,0,0]=4 21702 B13R2.12 Clc1ccc(cc1)C2=CCCC2 271570a_100000089523_100000755918 [0,1,0,1,0,0|2,0,0]=4 21703 B13R2.12 Clc1ccc(cc1)C2=CCOC2 271570a_100009872500_100000755918 [0,1,0,1,0,0|1,0,1]=4 21704 B13R2.12 Clc1ccc(cc1)C2=COCC2 271570a_100000118173_100000755918 [0,1,0,1,0,0|1,0,0]=3 21705 B13R2.12 Clc1ccc(cn1)C2=COCC2 271570a_100000118173_100000034144 [0,1,0,1,0,0|2,0,0]=4 21706 B13R2.12 Clc1ccc(nc1)C2=COCC2 271570a_100000118173_100011356976 [0,1,0,1,0,0|2,0,0]=4 21707 B13R2.12 Fc1ccc(cc1)C2=COCC2 271570a_100000118173_100000211213 [0,1,0,1,0,0|1,1,0]=4 21708 B13R2.12 Nc1ccc(cc1)C2=COCC2 271570a_100000118173_100000185761 [0,1,0,1,0,0|2,0,0]=4 21709 B13R2.12 Oc1ccc(cc1)C2=COCC2 271570a_100000118173_100000185759 [0,1,0,1,0,0|2,0,0]=4 21710 B13R2.12 Oc1ccc(cc1)C2=NCCO2 271570a_203496583355_100009812740 [0,1,0,1,0,0|2,0,0]=4 21711 B13R2.12 Oc1ccc(cc1)C2=NOCC2 271570a_203496583355_100010889492 [0,1,0,1,0,0|2,0,0]=4 21712 B13R2.12 Oc1ccc(cc1)C2OCCO2 271570a_203496583355_100009813560 [0,1,0,1,0,0|1,0,0]=3 21713 B13R2.12 Oc1ccc(nc1)C2OCCO2 271570a_203496583355_100010170810 [0,1,0,1,0,0|2,0,0]=4 21714 B13R2.162 N[C@H]1CCOc2c1cc(cc2)O 271570a_203496583355_100020639276 [0,1,0,1,0,0|2,0,0]=4 21715 B13R2.162 O=C1CCOc2c1cc(cc2)O 271570a_203496583355_100000243215 [0,1,0,1,0,0|1,0,1]=4 21716 B13R2.162 Oc1ccc2c(c1)C(CCC2)O 271570a_203496583355_100011660633 [0,1,0,1,0,0|2,0,0]=4 21717 B13R2.162 Oc1ccc2c(c1)C(CCO2)O 271570a_203496583355_100000760992 [0,1,0,1,0,0|1,0,0]=3 21718 B13R2.527 Brc1ccc(cc1)COC2CC2 34a_100000695286_100000211595 [0,1,0,1,0,0|1,1,0]=4 21719 B13R2.527 Brc1ccc(cc1)NCC2CO2 2230a_100000210018_100011216344 [0,1,0,1,0,0|1,1,0]=4 21720 B13R2.527 Brc1ccc(cc1)NCC2CO2 34a_100000210018_102125554688 [0,1,0,1,0,0|1,1,0]=4 21721 B13R2.527 Brc1ccc(cc1)OCC2CC2 34a_100000185759_100000742324 [0,1,0,1,0,0|1,1,0]=4 21722 B13R2.527 Brc1ccc(cc1)OCC2CC2 7a_100000185759_100000742324 [0,1,0,1,0,0|1,1,0]=4 21723 B13R2.527 Brc1ccc(cc1)OCC2CO2 34a_100000185759_102125554688 [0,1,0,1,0,0|0,1,0]=3 21724 B13R2.527 Brc1ccc(cc1)OCC2CO2 7a_100000185759_102125554688 [0,1,0,1,0,0|0,1,0]=3 21725 B13R2.527 Brc1ccc(cc1)OCC2CS2 7a_100000185759_100000031435 [0,1,0,1,0,0|0,2,0]=4 21726 B13R2.527 Brc1ccc(cc1)OC[C@@H]2CO2 7a_100000185759_100000745022 [0,1,0,1,0,0|0,1,0]=3 21727 B13R2.527 Brc1ccc(cc1)SCC2CO2 62a_100000752885_102125554688 [0,1,0,1,0,0|0,2,0]=4 21728 B13R2.527 Brc1ccc(cc1)SCC2CO2 62a_102125554688_100000752885 [0,1,0,1,0,0|0,2,0]=4 21729 B13R2.527 Brc1ccc(cc1)SC[C@@H]2CO2 62a_100000745022_100000752885 [0,1,0,1,0,0|0,2,0]=4 21730 B13R2.527 Brc1ccc(cc1)SC[C@@H]2CO2 62a_100000752885_100000745022 [0,1,0,1,0,0|0,2,0]=4 21731 B13R2.527 Brc1ccc(cn1)OCC2CO2 34a_100000685995_102125554688 [0,1,0,1,0,0|1,1,0]=4 21732 B13R2.527 Brc1ccc(cn1)OCC2CO2 7a_100000685995_102125554688 [0,1,0,1,0,0|1,1,0]=4 21733 B13R2.527 Brc1ccc(cn1)OC[C@@H]2CO2 7a_100000685995_100000745022 [0,1,0,1,0,0|1,1,0]=4 21734 B13R2.527 Cc1ccc(cc1)COC2CC2 34a_100011215236_100000211595 [0,1,0,1,0,0|2,0,0]=4 21735 B13R2.527 Cc1ccc(cc1)NCC2CO2 34a_100000124888_102125554688 [0,1,0,1,0,0|2,0,0]=4 21736 B13R2.527 Cc1ccc(cc1)OCC2CC2 34a_100000210336_100000742324 [0,1,0,1,0,0|2,0,0]=4 21737 B13R2.527 Cc1ccc(cc1)OCC2CC2 7a_100000210336_100000742324 [0,1,0,1,0,0|2,0,0]=4 21738 B13R2.527 Cc1ccc(cc1)OCC2CO2 34a_100000210336_102125554688 [0,1,0,1,0,0|1,0,0]=3 21739 B13R2.527 Cc1ccc(cc1)OCC2CO2 7a_100000210336_102125554688 [0,1,0,1,0,0|1,0,0]=3 21740 B13R2.527 Cc1ccc(cc1)OCC2CS2 7a_100000210336_100000031435 [0,1,0,1,0,0|1,1,0]=4 21741 B13R2.527 Cc1ccc(cc1)OC[C@@H]2CO2 7a_100000210336_100000745022 [0,1,0,1,0,0|1,0,0]=3 21742 B13R2.527 Cc1ccc(cc1)SCC2CO2 62a_100000186775_102125554688 [0,1,0,1,0,0|1,1,0]=4 21743 B13R2.527 Cc1ccc(cc1)SCC2CO2 62a_102125554688_100000186775 [0,1,0,1,0,0|1,1,0]=4 21744 B13R2.527 Cc1ccc(cc1)SC[C@@H]2CO2 62a_100000186775_100000745022 [0,1,0,1,0,0|1,1,0]=4 21745 B13R2.527 Cc1ccc(cc1)SC[C@@H]2CO2 62a_100000745022_100000186775 [0,1,0,1,0,0|1,1,0]=4 21746 B13R2.527 Cc1ccc(cn1)OCC2CO2 34a_100000745506_102125554688 [0,1,0,1,0,0|2,0,0]=4 21747 B13R2.527 Cc1ccc(cn1)OCC2CO2 7a_100000745506_102125554688 [0,1,0,1,0,0|2,0,0]=4 21748 B13R2.527 Cc1ccc(cn1)OC[C@@H]2CO2 7a_100000745506_100000745022 [0,1,0,1,0,0|2,0,0]=4 21749 B13R2.527 Cc1ccc(nc1)OCC2CO2 34a_100000759353_102125554688 [0,1,0,1,0,0|2,0,0]=4 21750 B13R2.527 Clc1ccc(cc1)C#CC2CC2 271570a_200009880635_100000755918 [0,1,0,1,0,0|2,0,0]=4 21751 B13R2.527 Clc1ccc(cc1)C=CC2CC2 271570a_100102526188_100000755918 [0,1,0,1,0,0|2,0,0]=4 21752 B13R2.527 Clc1ccc(cc1)CNC2CC2 34a_100000174871_100000211595 [0,1,0,1,0,0|2,0,0]=4 21753 B13R2.527 Clc1ccc(cc1)CNC2CC2 34a_100000212008_100000694040 [0,1,0,1,0,0|2,0,0]=4 21754 B13R2.527 Clc1ccc(cc1)COC2CC2 34a_100000211118_100000211595 [0,1,0,1,0,0|1,0,0]=3 21755 B13R2.527 Clc1ccc(cc1)CSC2CC2 62a_100000187161_100000211595 [0,1,0,1,0,0|1,1,0]=4 21756 B13R2.527 Clc1ccc(cc1)NCC2CC2 2230a_100000210052_100000742324 [0,1,0,1,0,0|2,0,0]=4 21757 B13R2.527 Clc1ccc(cc1)NCC2CC2 34a_100000210052_100000742324 [0,1,0,1,0,0|2,0,0]=4 21758 B13R2.527 Clc1ccc(cc1)NCC2CO2 2230a_100000210052_100011216344 [0,1,0,1,0,0|1,0,0]=3 21759 B13R2.527 Clc1ccc(cc1)NCC2CO2 34a_100000210052_102125554688 [0,1,0,1,0,0|1,0,0]=3 21760 B13R2.527 Clc1ccc(cc1)OCC2CC2 34a_100000210216_100000742324 [0,1,0,1,0,0|1,0,0]=3 21761 B13R2.527 Clc1ccc(cc1)OCC2CC2 7a_100000210216_100000742324 [0,1,0,1,0,0|1,0,0]=3 21762 B13R2.527 Clc1ccc(cc1)OCC2CO2 34a_100000210216_102125554688 [0,1,0,1,0,0|0,0,0]=2 21763 B13R2.527 Clc1ccc(cc1)OCC2CO2 7a_100000210216_102125554688 [0,1,0,1,0,0|0,0,0]=2 21764 B13R2.527 Clc1ccc(cc1)OCC2CS2 7a_100000210216_100000031435 [0,1,0,1,0,0|0,1,0]=3 21765 B13R2.527 Clc1ccc(cc1)OC[C@@H]2CO2 7a_100000210216_100000745022 [0,1,0,1,0,0|0,0,0]=2 21766 B13R2.527 Clc1ccc(cc1)SCC2CC2 62a_100000755918_100000742324 [0,1,0,1,0,0|1,1,0]=4 21767 B13R2.527 Clc1ccc(cc1)SCC2CC2 62a_100000756562_100000755918 [0,1,0,1,0,0|1,1,0]=4 21768 B13R2.527 Clc1ccc(cc1)SCC2CO2 62a_100000755918_102125554688 [0,1,0,1,0,0|0,1,0]=3 21769 B13R2.527 Clc1ccc(cc1)SCC2CO2 62a_102125554688_100000755918 [0,1,0,1,0,0|0,1,0]=3 21770 B13R2.527 Clc1ccc(cc1)SCC2CS2 62a_100000031435_100000755918 [0,1,0,1,0,0|0,2,0]=4 21771 B13R2.527 Clc1ccc(cc1)SCC2CS2 62a_100000755918_100000031435 [0,1,0,1,0,0|0,2,0]=4 21772 B13R2.527 Clc1ccc(cc1)SC[C@@H]2CO2 62a_100000745022_100000755918 [0,1,0,1,0,0|0,1,0]=3 21773 B13R2.527 Clc1ccc(cc1)SC[C@@H]2CO2 62a_100000755918_100000745022 [0,1,0,1,0,0|0,1,0]=3 21774 B13R2.527 Clc1ccc(cn1)COC2CC2 34a_100000755211_100000211595 [0,1,0,1,0,0|2,0,0]=4 21775 B13R2.527 Clc1ccc(cn1)OCC2CC2 34a_100000744096_100000742324 [0,1,0,1,0,0|2,0,0]=4 21776 B13R2.527 Clc1ccc(cn1)OCC2CC2 7a_100000744096_100000742324 [0,1,0,1,0,0|2,0,0]=4 21777 B13R2.527 Clc1ccc(cn1)OCC2CO2 34a_100000744096_102125554688 [0,1,0,1,0,0|1,0,0]=3 21778 B13R2.527 Clc1ccc(cn1)OCC2CO2 7a_100000744096_102125554688 [0,1,0,1,0,0|1,0,0]=3 21779 B13R2.527 Clc1ccc(cn1)OCC2CS2 7a_100000744096_100000031435 [0,1,0,1,0,0|1,1,0]=4 21780 B13R2.527 Clc1ccc(cn1)OC[C@@H]2CO2 7a_100000744096_100000745022 [0,1,0,1,0,0|1,0,0]=3 21781 B13R2.527 Clc1ccc(cn1)SCC2CO2 62a_100000034144_102125554688 [0,1,0,1,0,0|1,1,0]=4 21782 B13R2.527 Clc1ccc(cn1)SCC2CO2 62a_102125554688_100000034144 [0,1,0,1,0,0|1,1,0]=4 21783 B13R2.527 Clc1ccc(cn1)SC[C@@H]2CO2 62a_100000034144_100000745022 [0,1,0,1,0,0|1,1,0]=4 21784 B13R2.527 Clc1ccc(cn1)SC[C@@H]2CO2 62a_100000745022_100000034144 [0,1,0,1,0,0|1,1,0]=4 21785 B13R2.527 Clc1ccc(nc1)COC2CC2 34a_100000703999_100000211595 [0,1,0,1,0,0|2,0,0]=4 21786 B13R2.527 Clc1ccc(nc1)OCC2CC2 34a_100011215309_100000742324 [0,1,0,1,0,0|2,0,0]=4 21787 B13R2.527 Clc1ccc(nc1)OCC2CO2 34a_100011215309_102125554688 [0,1,0,1,0,0|1,0,0]=3 21788 B13R2.527 Clc1ccc(nc1)SCC2CO2 62a_100011356976_102125554688 [0,1,0,1,0,0|1,1,0]=4 21789 B13R2.527 Clc1ccc(nc1)SCC2CO2 62a_102125554688_100011356976 [0,1,0,1,0,0|1,1,0]=4 21790 B13R2.527 Clc1ccc(nc1)SC[C@@H]2CO2 62a_100000745022_100011356976 [0,1,0,1,0,0|1,1,0]=4 21791 B13R2.527 Clc1ccc(nc1)SC[C@@H]2CO2 62a_100011356976_100000745022 [0,1,0,1,0,0|1,1,0]=4 21792 B13R2.527 Clc1cnc(cn1)OCC2CO2 34a_100015839800_102125554688 [0,1,0,1,0,0|2,0,0]=4 21793 B13R2.527 Clc1ncc(cn1)OCC2CO2 34a_100000092845_102125554688 [0,1,0,1,0,0|2,0,0]=4 21794 B13R2.527 Clc1ncc(cn1)OCC2CO2 7a_100000092845_102125554688 [0,1,0,1,0,0|2,0,0]=4 21795 B13R2.527 Clc1ncc(cn1)OC[C@@H]2CO2 7a_100000092845_100000745022 [0,1,0,1,0,0|2,0,0]=4 21796 B13R2.527 Fc1ccc(cc1)COC2CC2 34a_100000210977_100000211595 [0,1,0,1,0,0|1,1,0]=4 21797 B13R2.527 Fc1ccc(cc1)NCC2CO2 34a_100000185862_102125554688 [0,1,0,1,0,0|1,1,0]=4 21798 B13R2.527 Fc1ccc(cc1)OCC2CC2 34a_100000210339_100000742324 [0,1,0,1,0,0|1,1,0]=4 21799 B13R2.527 Fc1ccc(cc1)OCC2CO2 34a_100000210339_102125554688 [0,1,0,1,0,0|0,1,0]=3 21800 B13R2.527 Fc1ccc(cc1)SCC2CO2 62a_100000211213_102125554688 [0,1,0,1,0,0|0,2,0]=4 21801 B13R2.527 Fc1ccc(cc1)SCC2CO2 62a_102125554688_100000211213 [0,1,0,1,0,0|0,2,0]=4 21802 B13R2.527 Fc1ccc(cc1)SC[C@@H]2CO2 62a_100000211213_100000745022 [0,1,0,1,0,0|0,2,0]=4 21803 B13R2.527 Fc1ccc(cc1)SC[C@@H]2CO2 62a_100000745022_100000211213 [0,1,0,1,0,0|0,2,0]=4 21804 B13R2.527 Fc1ccc(cn1)OCC2CO2 34a_100000688820_102125554688 [0,1,0,1,0,0|1,1,0]=4 21805 B13R2.527 Fc1ccc(cn1)OCC2CO2 7a_100000688820_102125554688 [0,1,0,1,0,0|1,1,0]=4 21806 B13R2.527 Fc1ccc(cn1)OC[C@@H]2CO2 7a_100000688820_100000745022 [0,1,0,1,0,0|1,1,0]=4 21807 B13R2.527 Fc1ccc(nc1)OCC2CO2 34a_100000742473_102125554688 [0,1,0,1,0,0|1,1,0]=4 21808 B13R2.527 Ic1ccc(cc1)COC2CC2 34a_100000690907_100000211595 [0,1,0,1,0,0|1,1,0]=4 21809 B13R2.527 Ic1ccc(cc1)NCC2CO2 34a_100000185761_102125554688 [0,1,0,1,0,0|1,1,0]=4 21810 B13R2.527 Ic1ccc(cc1)OCC2CC2 34a_100000212066_100000742324 [0,1,0,1,0,0|1,1,0]=4 21811 B13R2.527 Ic1ccc(cc1)OCC2CC2 7a_100000212066_100000742324 [0,1,0,1,0,0|1,1,0]=4 21812 B13R2.527 Ic1ccc(cc1)OCC2CO2 34a_100000212066_102125554688 [0,1,0,1,0,0|0,1,0]=3 21813 B13R2.527 Ic1ccc(cc1)OCC2CO2 7a_100000212066_102125554688 [0,1,0,1,0,0|0,1,0]=3 21814 B13R2.527 Ic1ccc(cc1)OCC2CS2 7a_100000212066_100000031435 [0,1,0,1,0,0|0,2,0]=4 21815 B13R2.527 Ic1ccc(cc1)OC[C@@H]2CO2 7a_100000212066_100000745022 [0,1,0,1,0,0|0,1,0]=3 21816 B13R2.527 Ic1ccc(cn1)OCC2CO2 34a_100000687607_102125554688 [0,1,0,1,0,0|1,1,0]=4 21817 B13R2.527 Ic1ccc(cn1)OCC2CO2 7a_100000687607_102125554688 [0,1,0,1,0,0|1,1,0]=4 21818 B13R2.527 Ic1ccc(cn1)OC[C@@H]2CO2 7a_100000687607_100000745022 [0,1,0,1,0,0|1,1,0]=4 21819 B13R2.527 Nc1ccc(cc1)COC2CC2 34a_100011215238_100000211595 [0,1,0,1,0,0|2,0,0]=4 21820 B13R2.527 Nc1ccc(cc1)OCC2CC2 34a_100000185829_100000742324 [0,1,0,1,0,0|2,0,0]=4 21821 B13R2.527 Nc1ccc(cc1)OCC2CO2 34a_100000185829_102125554688 [0,1,0,1,0,0|1,0,0]=3 21822 B13R2.527 Nc1ccc(cc1)SCC2CO2 62a_100000185761_102125554688 [0,1,0,1,0,0|1,1,0]=4 21823 B13R2.527 Nc1ccc(cc1)SCC2CO2 62a_102125554688_100000185761 [0,1,0,1,0,0|1,1,0]=4 21824 B13R2.527 Nc1ccc(cc1)SC[C@@H]2CO2 62a_100000185761_100000745022 [0,1,0,1,0,0|1,1,0]=4 21825 B13R2.527 Nc1ccc(cc1)SC[C@@H]2CO2 62a_100000745022_100000185761 [0,1,0,1,0,0|1,1,0]=4 21826 B13R2.527 Nc1ccc(cn1)OCC2CO2 34a_100015188713_102125554688 [0,1,0,1,0,0|2,0,0]=4 21827 B13R2.527 Nc1ccc(cn1)OCC2CO2 7a_100015188713_102125554688 [0,1,0,1,0,0|2,0,0]=4 21828 B13R2.527 Nc1ccc(cn1)OC[C@@H]2CO2 7a_100015188713_100000745022 [0,1,0,1,0,0|2,0,0]=4 21829 B13R2.527 Nc1ccc(nc1)OCC2CO2 34a_100000729260_102125554688 [0,1,0,1,0,0|2,0,0]=4 21830 B13R2.527 O=c1ccc(c[nH]1)OCC2CO2 34a_100000075641_102125554688 [0,1,0,1,0,0|2,0,0]=4 21831 B13R2.527 Oc1ccc(cc1)NCC2CO2 34a_100000185829_102125554688 [0,1,0,1,0,0|2,0,0]=4 21832 B13R2.527 Oc1ccc(cc1)OCC2CC2 271570a_203496583355_100011316336 [0,1,0,1,0,0|2,0,0]=4 21833 B13R2.527 Oc1ccc(cc1)SCC2CO2 62a_102125554688_100000185759 [0,1,0,1,0,0|1,1,0]=4 21834 B13R2.527 Oc1ccc(cc1)SC[C@@H]2CO2 62a_100000745022_100000185759 [0,1,0,1,0,0|1,1,0]=4 21835 B13R2.1069 Brc1ccc(cc1)NC2COC2 34a_100000210018_100009818527 [0,1,0,1,0,0|1,1,0]=4 21836 B13R2.1069 Brc1ccc(cc1)OC2CCC2 34a_100000185759_100000749161 [0,1,0,1,0,0|1,1,0]=4 21837 B13R2.1069 Brc1ccc(cc1)OC2COC2 34a_100000185759_100009818527 [0,1,0,1,0,0|0,1,0]=3 21838 B13R2.1069 Brc1ccc(cc1)OC2COC2 7a_100000185759_100009818527 [0,1,0,1,0,0|0,1,0]=3 21839 B13R2.1069 Brc1ccc(cc1)SC2COC2 62a_100000752885_100009818527 [0,1,0,1,0,0|0,2,0]=4 21840 B13R2.1069 Brc1ccc(cn1)OC2COC2 34a_100000685995_100009818527 [0,1,0,1,0,0|1,1,0]=4 21841 B13R2.1069 Brc1ccc(cn1)OC2COC2 7a_100000685995_100009818527 [0,1,0,1,0,0|1,1,0]=4 21842 B13R2.1069 Cc1ccc(cc1)NC2COC2 34a_100000124888_100009818527 [0,1,0,1,0,0|2,0,0]=4 21843 B13R2.1069 Cc1ccc(cc1)OC2CCC2 34a_100000210336_100000749161 [0,1,0,1,0,0|2,0,0]=4 21844 B13R2.1069 Cc1ccc(cc1)OC2COC2 34a_100000210336_100009818527 [0,1,0,1,0,0|1,0,0]=3 21845 B13R2.1069 Cc1ccc(cc1)OC2COC2 7a_100000210336_100009818527 [0,1,0,1,0,0|1,0,0]=3 21846 B13R2.1069 Cc1ccc(cc1)SC2COC2 62a_100000186775_100009818527 [0,1,0,1,0,0|1,1,0]=4 21847 B13R2.1069 Cc1ccc(cn1)OC2COC2 34a_100000745506_100009818527 [0,1,0,1,0,0|2,0,0]=4 21848 B13R2.1069 Cc1ccc(cn1)OC2COC2 7a_100000745506_100009818527 [0,1,0,1,0,0|2,0,0]=4 21849 B13R2.1069 Cc1ccc(nc1)OC2COC2 34a_100000759353_100009818527 [0,1,0,1,0,0|2,0,0]=4 21850 B13R2.1069 Clc1ccc(cc1)CN2CCC2 269982a_100000754969_100000187161 [0,1,0,1,0,0|2,0,0]=4 21851 B13R2.1069 Clc1ccc(cc1)NC2CCC2 34a_100000210052_100000749161 [0,1,0,1,0,0|2,0,0]=4 21852 B13R2.1069 Clc1ccc(cc1)NC2COC2 34a_100000210052_100009818527 [0,1,0,1,0,0|1,0,0]=3 21853 B13R2.1069 Clc1ccc(cc1)OC2CCC2 34a_100000210216_100000749161 [0,1,0,1,0,0|1,0,0]=3 21854 B13R2.1069 Clc1ccc(cc1)OC2COC2 34a_100000210216_100009818527 [0,1,0,1,0,0|0,0,0]=2 21855 B13R2.1069 Clc1ccc(cc1)OC2COC2 7a_100000210216_100009818527 [0,1,0,1,0,0|0,0,0]=2 21856 B13R2.1069 Clc1ccc(cc1)SC2CCC2 62a_100000755918_100000749161 [0,1,0,1,0,0|1,1,0]=4 21857 B13R2.1069 Clc1ccc(cc1)SC2COC2 62a_100000755918_100009818527 [0,1,0,1,0,0|0,1,0]=3 21858 B13R2.1069 Clc1ccc(cn1)OC2CCC2 34a_100000744096_100000749161 [0,1,0,1,0,0|2,0,0]=4 21859 B13R2.1069 Clc1ccc(cn1)OC2COC2 34a_100000744096_100009818527 [0,1,0,1,0,0|1,0,0]=3 21860 B13R2.1069 Clc1ccc(cn1)OC2COC2 7a_100000744096_100009818527 [0,1,0,1,0,0|1,0,0]=3 21861 B13R2.1069 Clc1ccc(cn1)SC2COC2 62a_100000034144_100009818527 [0,1,0,1,0,0|1,1,0]=4 21862 B13R2.1069 Clc1ccc(nc1)OC2CCC2 34a_100011215309_100000749161 [0,1,0,1,0,0|2,0,0]=4 21863 B13R2.1069 Clc1ccc(nc1)OC2COC2 34a_100011215309_100009818527 [0,1,0,1,0,0|1,0,0]=3 21864 B13R2.1069 Clc1ccc(nc1)SC2COC2 62a_100011356976_100009818527 [0,1,0,1,0,0|1,1,0]=4 21865 B13R2.1069 Clc1cnc(cn1)OC2COC2 34a_100015839800_100009818527 [0,1,0,1,0,0|2,0,0]=4 21866 B13R2.1069 Clc1ncc(cn1)OC2COC2 34a_100000092845_100009818527 [0,1,0,1,0,0|2,0,0]=4 21867 B13R2.1069 Clc1ncc(cn1)OC2COC2 7a_100000092845_100009818527 [0,1,0,1,0,0|2,0,0]=4 21868 B13R2.1069 Fc1ccc(cc1)NC2COC2 34a_100000185862_100009818527 [0,1,0,1,0,0|1,1,0]=4 21869 B13R2.1069 Fc1ccc(cc1)OC2CCC2 34a_100000210339_100000749161 [0,1,0,1,0,0|1,1,0]=4 21870 B13R2.1069 Fc1ccc(cc1)OC2COC2 34a_100000210339_100009818527 [0,1,0,1,0,0|0,1,0]=3 21871 B13R2.1069 Fc1ccc(cc1)SC2COC2 62a_100000211213_100009818527 [0,1,0,1,0,0|0,2,0]=4 21872 B13R2.1069 Fc1ccc(cn1)OC2COC2 34a_100000688820_100009818527 [0,1,0,1,0,0|1,1,0]=4 21873 B13R2.1069 Fc1ccc(cn1)OC2COC2 7a_100000688820_100009818527 [0,1,0,1,0,0|1,1,0]=4 21874 B13R2.1069 Fc1ccc(nc1)OC2COC2 34a_100000742473_100009818527 [0,1,0,1,0,0|1,1,0]=4 21875 B13R2.1069 Ic1ccc(cc1)NC2COC2 34a_100000185761_100009818527 [0,1,0,1,0,0|1,1,0]=4 21876 B13R2.1069 Ic1ccc(cc1)OC2CCC2 34a_100000212066_100000749161 [0,1,0,1,0,0|1,1,0]=4 21877 B13R2.1069 Ic1ccc(cc1)OC2COC2 34a_100000212066_100009818527 [0,1,0,1,0,0|0,1,0]=3 21878 B13R2.1069 Ic1ccc(cc1)OC2COC2 7a_100000212066_100009818527 [0,1,0,1,0,0|0,1,0]=3 21879 B13R2.1069 Ic1ccc(cn1)OC2COC2 34a_100000687607_100009818527 [0,1,0,1,0,0|1,1,0]=4 21880 B13R2.1069 Ic1ccc(cn1)OC2COC2 7a_100000687607_100009818527 [0,1,0,1,0,0|1,1,0]=4 21881 B13R2.1069 Nc1ccc(cc1)OC2CCC2 34a_100000185829_100000749161 [0,1,0,1,0,0|2,0,0]=4 21882 B13R2.1069 Nc1ccc(cc1)OC2COC2 34a_100000185829_100009818527 [0,1,0,1,0,0|1,0,0]=3 21883 B13R2.1069 Nc1ccc(cc1)SC2COC2 62a_100000185761_100009818527 [0,1,0,1,0,0|1,1,0]=4 21884 B13R2.1069 Nc1ccc(cn1)OC2COC2 34a_100015188713_100009818527 [0,1,0,1,0,0|2,0,0]=4 21885 B13R2.1069 Nc1ccc(cn1)OC2COC2 7a_100015188713_100009818527 [0,1,0,1,0,0|2,0,0]=4 21886 B13R2.1069 Nc1ccc(nc1)OC2COC2 34a_100000729260_100009818527 [0,1,0,1,0,0|2,0,0]=4 21887 B13R2.1069 O=c1ccc(c[nH]1)OC2COC2 34a_100000075641_100009818527 [0,1,0,1,0,0|2,0,0]=4 21888 B13R2.1069 Oc1ccc(cc1)NC2COC2 34a_100000185829_100009818527 [0,1,0,1,0,0|2,0,0]=4 21889 B13R2.2136 CNC1CCc2c1cc(cc2)Cl 2230a_100016987686_200000210301 [0,1,0,1,0,0|2,0,0]=4 21890 B13R2.2136 CNC1CCc2c1cc(cc2)Cl 269862a_106832991636_100000759629 [0,1,0,1,0,0|2,0,0]=4 21891 B13R2.2136 CNC1CCc2c1cc(cc2)Cl 34a_100016987686_200000210301 [0,1,0,1,0,0|2,0,0]=4 21892 B13R2.2136 CNC1COc2c1cc(cc2)Cl 2230a_100000705955_200000210301 [0,1,0,1,0,0|1,0,0]=3 21893 B13R2.2136 CN[C@@H]1COc2c1cc(cc2)F 2230a_100161114692_200000210301 [0,1,0,1,0,0|1,1,0]=4 21894 B13R2.2136 CN[C@@H]1COc2c1cc(cc2)F 34a_100161114692_200000210301 [0,1,0,1,0,0|1,1,0]=4 21895 B13R2.2136 COC1CCc2c1cc(cc2)Br 34a_100011836024_200000210301 [0,1,0,1,0,0|1,1,0]=4 21896 B13R2.2136 COC1CCc2c1cc(cc2)Br 7a_100011836024_200000210301 [0,1,0,1,0,0|1,1,0]=4 21897 B13R2.2136 [13CH3]NC1CCc2c1cc(cc2)Cl 2230a_100016987686_200025704644 [0,1,0,1,0,0|2,0,0]=4 21898 B13R2.2136 [13CH3]NC1CCc2c1cc(cc2)Cl 34a_100016987686_200025704644 [0,1,0,1,0,0|2,0,0]=4 21899 B13R2.2136 [13CH3]NC1COc2c1cc(cc2)Cl 2230a_100000705955_200025704644 [0,1,0,1,0,0|1,0,0]=3 21900 B13R2.2136 [13CH3]N[C@@H]1COc2c1cc(cc2)F 2230a_100161114692_200025704644 [0,1,0,1,0,0|1,1,0]=4 21901 B13R2.2136 [13CH3]N[C@@H]1COc2c1cc(cc2)F 34a_100161114692_200025704644 [0,1,0,1,0,0|1,1,0]=4 21902 B13R2.2136 [13CH3]OC1CCc2c1cc(cc2)Br 34a_100011836024_200025704644 [0,1,0,1,0,0|1,1,0]=4 21903 B13R2.2136 [13CH3]OC1CCc2c1cc(cc2)Br 7a_100011836024_200025704644 [0,1,0,1,0,0|1,1,0]=4 21904 B13R2.3729 Oc1ccc2c(c1)OCCCO2 271570a_203496583355_100000739260 [0,1,0,1,0,0|1,0,0]=3 21905 B13R2.147 Oc1ccc(cc1)C2CC(C2)O 271570a_203496583355_200000751978 [0,1,0,1,0,0|2,0,0]=4 21906 B13R2.520 C=C(c1ccc(cc1)Cl)C2CC2 271570a_100010895485_100000755918 [0,1,0,1,0,0|2,0,0]=4 21907 B13R2.520 CN(c1ccc(cc1)Cl)C2CC2 269982a_100020629279_100000211595 [0,1,0,1,0,0|2,0,0]=4 21908 B13R2.520 CN(c1ccc(cc1)Cl)C2CC2 34a_100020629279_100000211595 [0,1,0,1,0,0|2,0,0]=4 21909 B13R2.5179 CN1CCOc2c1ccc(c2)O 271570a_203496583355_100009812848 [0,1,0,1,0,0|2,0,0]=4 21910 B13R2.5179 N[C@@H]1CCOc2c1ccc(c2)O 271570a_203496583355_100020639266 [0,1,0,1,0,0|2,0,0]=4 21911 B13R2.5179 O=C1CCOc2c1ccc(c2)O 271570a_203496583355_100000696939 [0,1,0,1,0,0|2,0,0]=4 21912 B13R2.5179 Oc1ccc2c(c1)OCCC2O 271570a_203496583355_100012676011 [0,1,0,1,0,0|2,0,0]=4 21913 B13R2.155 CC1CNc2ccc(cc2O1)O 271570a_203496583355_200010108538 [0,1,0,1,0,0|2,0,0]=4 21914 B13R2.43 OCc1cc2cc(ccc2o1)O 271570a_203496583355_100011934623 [0,1,0,1,0,0|1,0,1]=4 21915 B13R2.5400 Brc1cc(ccc1OC2CC2)I 34a_100012361655_100000211595 [0,1,0,1,0,0|1,1,0]=4 21916 B13R2.5400 Brc1ccc(c(c1)Br)OC2CC2 34a_100000188717_100000211595 [0,1,0,1,0,0|1,1,0]=4 21917 B13R2.5400 Brc1ccc(c(c1)I)OC2CC2 34a_100012355227_100000211595 [0,1,0,1,0,0|1,1,0]=4 21918 B13R2.5400 Cc1cc(ccc1NC2CC2)Cl 34a_100000210418_100000211595 [0,1,0,1,0,0|2,0,0]=4 21919 B13R2.5400 Cc1cc(ccc1OC2CC2)Br 34a_100000186361_100000211595 [0,1,0,1,0,0|1,1,0]=4 21920 B13R2.5400 Cc1cc(ccc1OC2CC2)Cl 34a_100000211091_100000211595 [0,1,0,1,0,0|1,0,0]=3 21921 B13R2.5400 Cc1cc(ccc1OC2CC2)F 34a_100000764316_100000211595 [0,1,0,1,0,0|1,1,0]=4 21922 B13R2.5400 Cc1cc(ccc1OC2CC2)I 34a_100011218673_100000211595 [0,1,0,1,0,0|1,1,0]=4 21923 B13R2.5400 Cc1cc(ccc1OC2CC2)N 34a_100011218179_100000211595 [0,1,0,1,0,0|2,0,0]=4 21924 B13R2.5400 Cc1cc(ccc1SC2CC2)Cl 62a_100011219607_100000211595 [0,1,0,1,0,0|1,1,0]=4 21925 B13R2.5400 Cc1cc(ncc1OC2CC2)Cl 34a_100000692680_100000211595 [0,1,0,1,0,0|2,0,0]=4 21926 B13R2.5400 Cc1ccc(c(c1)Br)OC2CC2 34a_100000210800_100000211595 [0,1,0,1,0,0|2,0,0]=4 21927 B13R2.5400 Cc1ccc(c(c1)C)OC2CC2 34a_100000211776_100000211595 [0,1,0,1,0,0|2,0,0]=4 21928 B13R2.5400 Cc1ccc(c(c1)Cl)OC2CC2 34a_100000749699_100000211595 [0,1,0,1,0,0|2,0,0]=4 21929 B13R2.5400 Cc1ccc(c(c1)F)OC2CC2 34a_100011216688_100000211595 [0,1,0,1,0,0|2,0,0]=4 21930 B13R2.5400 Cc1ccc(c(c1)I)OC2CC2 34a_100000765521_100000211595 [0,1,0,1,0,0|2,0,0]=4 21931 B13R2.5400 Cc1ccc(c(c1)N)OC2CC2 34a_100011215204_100000211595 [0,1,0,1,0,0|2,0,0]=4 21932 B13R2.5400 Cc1nc(ccc1OC2CC2)Cl 34a_100012184626_100000211595 [0,1,0,1,0,0|2,0,0]=4 21933 B13R2.5400 Clc1cc(c(cn1)OC2CC2)Cl 34a_100009868576_100000211595 [0,1,0,1,0,0|2,0,0]=4 21934 B13R2.5400 Clc1cc(c(cn1)OC2CC2)I 34a_100000698892_100000211595 [0,1,0,1,0,0|2,0,0]=4 21935 B13R2.5400 Clc1cc(ccc1OC2CC2)Br 34a_100000186472_100000211595 [0,1,0,1,0,0|1,1,0]=4 21936 B13R2.5400 Clc1cc(ccc1OC2CC2)I 34a_100012360047_100000211595 [0,1,0,1,0,0|1,1,0]=4 21937 B13R2.5400 Clc1ccc(c(c1)Br)NC2CC2 34a_100000752454_100000211595 [0,1,0,1,0,0|2,0,0]=4 21938 B13R2.5400 Clc1ccc(c(c1)Br)OC2CC2 34a_100000211998_100000211595 [0,1,0,1,0,0|1,0,0]=3 21939 B13R2.5400 Clc1ccc(c(c1)Br)SC2CC2 62a_100011219703_100000211595 [0,1,0,1,0,0|1,1,0]=4 21940 B13R2.5400 Clc1ccc(c(c1)Cl)NC2CC2 34a_100000185861_100000211595 [0,1,0,1,0,0|2,0,0]=4 21941 B13R2.5400 Clc1ccc(c(c1)Cl)OC2CC2 34a_100015191787_100000211595 [0,1,0,1,0,0|1,0,0]=3 21942 B13R2.5400 Clc1ccc(c(c1)Cl)SC2CC2 62a_100000699841_100000211595 [0,1,0,1,0,0|1,1,0]=4 21943 B13R2.5400 Clc1ccc(c(c1)I)NC2CC2 34a_100000761889_100000211595 [0,1,0,1,0,0|2,0,0]=4 21944 B13R2.5400 Clc1ccc(c(c1)I)OC2CC2 34a_100011356953_100000211595 [0,1,0,1,0,0|1,0,0]=3 21945 B13R2.5400 Clc1ccc(c(n1)Br)OC2CC2 34a_100010219353_100000211595 [0,1,0,1,0,0|2,0,0]=4 21946 B13R2.5400 Clc1ccc(c(n1)Cl)OC2CC2 34a_100000101165_100000211595 [0,1,0,1,0,0|2,0,0]=4 21947 B13R2.5400 Clc1ccc(c(n1)I)OC2CC2 34a_100000696390_100000211595 [0,1,0,1,0,0|2,0,0]=4 21948 B13R2.5400 Fc1cc(ccc1NC2CC2)Cl 34a_100000211020_100000211595 [0,1,0,1,0,0|2,0,0]=4 21949 B13R2.5400 Fc1cc(ccc1OC2CC2)Br 34a_100000185481_100000211595 [0,1,0,1,0,0|1,1,0]=4 21950 B13R2.5400 Fc1cc(ccc1OC2CC2)Cl 34a_100000230166_100000211595 [0,1,0,1,0,0|1,0,0]=3 21951 B13R2.5400 Fc1cc(ccc1OC2CC2)I 34a_100011356965_100000211595 [0,1,0,1,0,0|1,1,0]=4 21952 B13R2.5400 Fc1cc(ccc1SC2CC2)Cl 62a_100011216042_100000211595 [0,1,0,1,0,0|1,1,0]=4 21953 B13R2.5400 Fc1cc(cnc1OC2CC2)Cl 34a_100011998252_100000211595 [0,1,0,1,0,0|2,0,0]=4 21954 B13R2.5400 Fc1ccc(c(c1)Br)OC2CC2 34a_100000211999_100000211595 [0,1,0,1,0,0|1,1,0]=4 21955 B13R2.5400 Fc1ccc(c(c1)Cl)OC2CC2 34a_100000212004_100000211595 [0,1,0,1,0,0|1,1,0]=4 21956 B13R2.5400 Fc1ccc(c(c1)F)OC2CC2 34a_100000230127_100000211595 [0,1,0,1,0,0|1,1,0]=4 21957 B13R2.5400 Fc1ccc(c(c1)I)OC2CC2 34a_100012355409_100000211595 [0,1,0,1,0,0|1,1,0]=4 21958 B13R2.5400 Fc1nc(ccc1OC2CC2)Cl 34a_100009880201_100000211595 [0,1,0,1,0,0|2,0,0]=4 21959 B13R2.5400 Nc1cc(ccc1OC2CC2)Br 34a_100000752626_100000211595 [0,1,0,1,0,0|1,1,0]=4 21960 B13R2.5400 Nc1cc(ccc1OC2CC2)Cl 34a_100000210500_100000211595 [0,1,0,1,0,0|1,0,0]=3 21961 B13R2.5400 Nc1cc(ccc1OC2CC2)F 34a_100000759472_100000211595 [0,1,0,1,0,0|1,1,0]=4 21962 B13R2.5400 Nc1cc(ccc1OC2CC2)I 34a_100000753495_100000211595 [0,1,0,1,0,0|1,1,0]=4 21963 B13R2.5400 Nc1cc(ccc1SC2CC2)Cl 62a_100000761886_100000211595 [0,1,0,1,0,0|1,1,0]=4 21964 B13R2.5400 Nc1cc(cnc1OC2CC2)Cl 34a_100011998249_100000211595 [0,1,0,1,0,0|2,0,0]=4 21965 B13R2.5400 Nc1ccc(c(c1)Br)OC2CC2 34a_100011534360_100000211595 [0,1,0,1,0,0|2,0,0]=4 21966 B13R2.5400 Nc1ccc(c(c1)Cl)OC2CC2 34a_100000744943_100000211595 [0,1,0,1,0,0|2,0,0]=4 21967 B13R2.5400 Nc1ccc(c(c1)F)OC2CC2 34a_100011220035_100000211595 [0,1,0,1,0,0|2,0,0]=4 21968 B13R2.5400 Nc1ccc(c(c1)N)OC2CC2 34a_100000725306_100000211595 [0,1,0,1,0,0|2,0,0]=4 21969 B13R2.5400 Nc1nc(ccc1OC2CC2)Cl 34a_100000717809_100000211595 [0,1,0,1,0,0|2,0,0]=4 21970 B13R2.5400 Oc1cc(ccc1NC2CC2)Cl 34a_100000185728_100000211595 [0,1,0,1,0,0|2,0,0]=4 21971 B13R2.5400 Oc1cc(ccc1SC2CC2)Cl 62a_100000050036_100000211595 [0,1,0,1,0,0|1,1,0]=4 21972 B13R2.57 C=Cc1ccc2c(c1)CCCO2 271570a_100011290941_100011393166 [0,1,0,1,0,0|2,0,0]=4 21973 B13R2.57 C=Cc1ccc2c(c1)NCCO2 271570a_100011290941_100000708519 [0,1,0,1,0,0|2,0,0]=4 21974 B13R2.57 C=Cc1ccc2c(c1)OCCC2 271570a_100011290941_100010700467 [0,1,0,1,0,0|2,0,0]=4 21975 B13R2.57 C=Cc1ccc2c(c1)OCCN2 271570a_100011290941_100012355470 [0,1,0,1,0,0|2,0,0]=4 21976 B13R2.57 C=Cc1ccc2c(c1)OCCO2 271570a_100011290941_100000184379 [0,1,0,1,0,0|1,0,0]=3 21977 B13R2.57 CNc1ccc2c(c1)CCCO2 2230a_100138412508_200000210301 [0,1,0,1,0,0|2,0,0]=4 21978 B13R2.57 CNc1ccc2c(c1)CCCO2 34a_100138412508_200000210301 [0,1,0,1,0,0|2,0,0]=4 21979 B13R2.57 CNc1ccc2c(c1)OCCO2 2230a_100020630400_200000210301 [0,1,0,1,0,0|1,0,0]=3 21980 B13R2.57 CNc1ccc2c(c1)OCCO2 34a_100020630400_200000210301 [0,1,0,1,0,0|1,0,0]=3 21981 B13R2.57 COc1ccc2c(c1)NCCO2 34a_100020636358_200000210301 [0,1,0,1,0,0|2,0,0]=4 21982 B13R2.57 COc1ccc2c(c1)OCCO2 34a_100000234341_200000210301 [0,1,0,1,0,0|1,0,0]=3 21983 B13R2.57 CSc1ccc2c(c1)CCCO2 62a_100011393166_200000210301 [0,1,0,1,0,0|2,0,0]=4 21984 B13R2.57 CSc1ccc2c(c1)CCCO2 62a_200000210301_100011393166 [0,1,0,1,0,0|2,0,0]=4 21985 B13R2.57 CSc1ccc2c(c1)NCCO2 62a_200000210301_100000708519 [0,1,0,1,0,0|2,0,0]=4 21986 B13R2.57 CSc1ccc2c(c1)OCCC2 62a_100010700467_200000210301 [0,1,0,1,0,0|2,0,0]=4 21987 B13R2.57 CSc1ccc2c(c1)OCCC2 62a_200000210301_100010700467 [0,1,0,1,0,0|2,0,0]=4 21988 B13R2.57 CSc1ccc2c(c1)OCCN2 62a_200000210301_100012355470 [0,1,0,1,0,0|2,0,0]=4 21989 B13R2.57 CSc1ccc2c(c1)OCCO2 62a_100011216881_200000210301 [0,1,0,1,0,0|1,0,0]=3 21990 B13R2.57 CSc1ccc2c(c1)OCCO2 62a_200000210301_100011216881 [0,1,0,1,0,0|1,0,0]=3 21991 B13R2.57 [13CH3]Nc1ccc2c(c1)CCCO2 2230a_100138412508_200025704644 [0,1,0,1,0,0|2,0,0]=4 21992 B13R2.57 [13CH3]Nc1ccc2c(c1)CCCO2 34a_100138412508_200025704644 [0,1,0,1,0,0|2,0,0]=4 21993 B13R2.57 [13CH3]Nc1ccc2c(c1)OCCO2 2230a_100020630400_200025704644 [0,1,0,1,0,0|1,0,0]=3 21994 B13R2.57 [13CH3]Nc1ccc2c(c1)OCCO2 34a_100020630400_200025704644 [0,1,0,1,0,0|1,0,0]=3 21995 B13R2.57 [13CH3]Oc1ccc2c(c1)NCCO2 34a_100020636358_200025704644 [0,1,0,1,0,0|2,0,0]=4 21996 B13R2.57 [13CH3]Oc1ccc2c(c1)OCCO2 34a_100000234341_200025704644 [0,1,0,1,0,0|1,0,0]=3 21997 B13R2.57 [13CH3]Sc1ccc2c(c1)CCCO2 62a_100011393166_200025704644 [0,1,0,1,0,0|2,0,0]=4 21998 B13R2.57 [13CH3]Sc1ccc2c(c1)CCCO2 62a_200025704644_100011393166 [0,1,0,1,0,0|2,0,0]=4 21999 B13R2.57 [13CH3]Sc1ccc2c(c1)NCCO2 62a_200025704644_100000708519 [0,1,0,1,0,0|2,0,0]=4 22000 B13R2.57 [13CH3]Sc1ccc2c(c1)OCCC2 62a_100010700467_200025704644 [0,1,0,1,0,0|2,0,0]=4 22001 B13R2.57 [13CH3]Sc1ccc2c(c1)OCCC2 62a_200025704644_100010700467 [0,1,0,1,0,0|2,0,0]=4 22002 B13R2.57 [13CH3]Sc1ccc2c(c1)OCCN2 62a_200025704644_100012355470 [0,1,0,1,0,0|2,0,0]=4 22003 B13R2.57 [13CH3]Sc1ccc2c(c1)OCCO2 62a_100011216881_200025704644 [0,1,0,1,0,0|1,0,0]=3 22004 B13R2.57 [13CH3]Sc1ccc2c(c1)OCCO2 62a_200025704644_100011216881 [0,1,0,1,0,0|1,0,0]=3 22005 B13R2.184 C=Cc1ccc(cc1)OC2CC2 271570a_100011290941_100000704264 [0,1,0,1,0,0|2,0,0]=4 22006 B13R2.184 C=Cc1ccc(cc1)OC2CC2 34a_100000189437_100000211595 [0,1,0,1,0,0|2,0,0]=4 22007 B13R2.184 CCc1ccc(cc1)OC2CC2 34a_100000211359_100000211595 [0,1,0,1,0,0|2,0,0]=4 22008 B13R2.184 CNc1ccc(cc1)OC2CC2 34a_100000182112_100000211595 [0,1,0,1,0,0|2,0,0]=4 22009 B13R2.184 COc1ccc(cc1)OC2CC2 34a_100000210503_100000211595 [0,1,0,1,0,0|2,0,0]=4 22010 B13R2.184 CSc1ccc(cc1)OC2CC2 34a_100000211864_100000211595 [0,1,0,1,0,0|2,0,0]=4 22011 B13R2.184 CSc1ccc(cc1)OC2CC2 62a_100000704264_200000210301 [0,1,0,1,0,0|2,0,0]=4 22012 B13R2.184 CSc1ccc(cc1)OC2CC2 62a_200000210301_100000704264 [0,1,0,1,0,0|2,0,0]=4 22013 B13R2.184 N#Cc1ccc(cc1)OC2CC2 34a_100000210344_100000211595 [0,1,0,1,0,0|2,0,0]=4 22014 B13R2.184 NCc1ccc(cc1)OC2CC2 34a_100000185549_100000211595 [0,1,0,1,0,0|2,0,0]=4 22015 B13R2.184 OCc1ccc(cc1)OC2CC2 34a_100000211755_100000211595 [0,1,0,1,0,0|2,0,0]=4 22016 B13R2.184 [13CH3]Sc1ccc(cc1)OC2CC2 62a_100000704264_200025704644 [0,1,0,1,0,0|2,0,0]=4 22017 B13R2.184 [13CH3]Sc1ccc(cc1)OC2CC2 62a_200025704644_100000704264 [0,1,0,1,0,0|2,0,0]=4 22018 B13R2.467 OCCSc1ccc2c(c1)CC2 62a_100000211926_100009818592 [0,1,0,1,0,0|1,1,0]=4 22019 B13R2.467 OCCSc1ccc2c(c1)CC2 62a_100009818592_100000211926 [0,1,0,1,0,0|1,1,0]=4 22020 B13R2.669 C=Cc1ccc2c(c1)C(CC2)O 271570a_100011290941_100011836024 [0,1,0,1,0,0|2,0,0]=4 22021 B13R2.669 CSc1ccc2c(c1)C(CC2)O 62a_100011836024_200000210301 [0,1,0,1,0,0|2,0,0]=4 22022 B13R2.669 CSc1ccc2c(c1)C(CC2)O 62a_200000210301_100011836024 [0,1,0,1,0,0|2,0,0]=4 22023 B13R2.669 [13CH3]Sc1ccc2c(c1)C(CC2)O 62a_100011836024_200025704644 [0,1,0,1,0,0|2,0,0]=4 22024 B13R2.669 [13CH3]Sc1ccc2c(c1)C(CC2)O 62a_200025704644_100011836024 [0,1,0,1,0,0|2,0,0]=4 22025 B13R2.32 Cc1c(ccc2c1NCCO2)O 271570a_203496583355_100010271709 [0,1,0,1,0,0|2,0,0]=4 22026 B13R2.32 Cc1c(ccc2c1OCCO2)O 271570a_203496583355_100010072848 [0,1,0,1,0,0|1,0,0]=3 22027 B13R2.369 Oc1cc2c(cc1F)OCCN2 271570a_203496583355_100012568745 [0,1,0,1,0,0|1,1,0]=4 22028 B13R2.521 Brc1cc(ccc1I)OC2CC2 34a_100000701344_100000211595 [0,1,0,1,0,0|1,1,0]=4 22029 B13R2.521 Brc1ccc(cc1I)OC2CC2 34a_100012339312_100000211595 [0,1,0,1,0,0|1,1,0]=4 22030 B13R2.521 Cc1cc(ccc1Br)OC2CC2 34a_100000690111_100000211595 [0,1,0,1,0,0|1,1,0]=4 22031 B13R2.521 Cc1cc(ccc1Cl)NC2CC2 34a_100000187808_100000211595 [0,1,0,1,0,0|2,0,0]=4 22032 B13R2.521 Cc1cc(ccc1Cl)OC2CC2 34a_100000211092_100000211595 [0,1,0,1,0,0|1,0,0]=3 22033 B13R2.521 Cc1cc(ccc1Cl)SC2CC2 62a_100000049509_100000211595 [0,1,0,1,0,0|1,1,0]=4 22034 B13R2.521 Cc1cc(ccc1F)OC2CC2 34a_100000751312_100000211595 [0,1,0,1,0,0|1,1,0]=4 22035 B13R2.521 Cc1cc(ccc1I)OC2CC2 34a_100000729255_100000211595 [0,1,0,1,0,0|1,1,0]=4 22036 B13R2.521 Cc1cc(ccc1N)OC2CC2 34a_100000756630_100000211595 [0,1,0,1,0,0|2,0,0]=4 22037 B13R2.521 Cc1cc(cnc1Cl)OC2CC2 34a_100012002680_100000211595 [0,1,0,1,0,0|2,0,0]=4 22038 B13R2.521 Cc1cc(ncc1Cl)OC2CC2 34a_200000085746_100000211595 [0,1,0,1,0,0|2,0,0]=4 22039 B13R2.521 Cc1ccc(cc1Br)OC2CC2 34a_100011380479_100000211595 [0,1,0,1,0,0|2,0,0]=4 22040 B13R2.521 Cc1ccc(cc1C)OC2CC2 34a_100000210932_100000211595 [0,1,0,1,0,0|2,0,0]=4 22041 B13R2.521 Cc1ccc(cc1Cl)OC2CC2 34a_100011265682_100000211595 [0,1,0,1,0,0|2,0,0]=4 22042 B13R2.521 Cc1ccc(cc1F)OC2CC2 34a_100000722560_100000211595 [0,1,0,1,0,0|2,0,0]=4 22043 B13R2.521 Cc1ccc(cc1N)OC2CC2 34a_100011216113_100000211595 [0,1,0,1,0,0|2,0,0]=4 22044 B13R2.521 Cc1nc(ccc1Cl)OC2CC2 34a_200009863735_100000211595 [0,1,0,1,0,0|2,0,0]=4 22045 B13R2.521 Clc1cc(ccc1Br)OC2CC2 34a_100011215161_100000211595 [0,1,0,1,0,0|1,1,0]=4 22046 B13R2.521 Clc1cc(ccc1I)OC2CC2 34a_100000047559_100000211595 [0,1,0,1,0,0|1,1,0]=4 22047 B13R2.521 Clc1cc(cnc1Cl)OC2CC2 34a_100000094354_100000211595 [0,1,0,1,0,0|2,0,0]=4 22048 B13R2.521 Clc1ccc(cc1Br)NC2CC2 34a_100000686031_100000211595 [0,1,0,1,0,0|2,0,0]=4 22049 B13R2.521 Clc1ccc(cc1Br)OC2CC2 34a_100011933957_100000211595 [0,1,0,1,0,0|1,0,0]=3 22050 B13R2.521 Clc1ccc(cc1Br)SC2CC2 62a_100012353702_100000211595 [0,1,0,1,0,0|1,1,0]=4 22051 B13R2.521 Clc1ccc(cc1Cl)NC2CC2 34a_100000184108_100000211595 [0,1,0,1,0,0|2,0,0]=4 22052 B13R2.521 Clc1ccc(cc1Cl)OC2CC2 34a_100000211054_100000211595 [0,1,0,1,0,0|1,0,0]=3 22053 B13R2.521 Clc1ccc(cc1Cl)SC2CC2 62a_100011214914_100000211595 [0,1,0,1,0,0|1,1,0]=4 22054 B13R2.521 Clc1ccc(cc1I)NC2CC2 34a_100012360549_100000211595 [0,1,0,1,0,0|2,0,0]=4 22055 B13R2.521 Clc1ccc(cc1I)OC2CC2 34a_100000049588_100000211595 [0,1,0,1,0,0|1,0,0]=3 22056 B13R2.521 Clc1cnc(cc1Cl)OC2CC2 34a_200000099200_100000211595 [0,1,0,1,0,0|2,0,0]=4 22057 B13R2.521 Clc1ncc(cc1Br)OC2CC2 34a_100012356455_100000211595 [0,1,0,1,0,0|2,0,0]=4 22058 B13R2.521 Fc1cc(ccc1Br)OC2CC2 34a_100000755031_100000211595 [0,1,0,1,0,0|1,1,0]=4 22059 B13R2.521 Fc1cc(ccc1Cl)NC2CC2 34a_100000739366_100000211595 [0,1,0,1,0,0|2,0,0]=4 22060 B13R2.521 Fc1cc(ccc1Cl)OC2CC2 34a_100000691581_100000211595 [0,1,0,1,0,0|1,0,0]=3 22061 B13R2.521 Fc1cc(ccc1Cl)SC2CC2 62a_100011216805_100000211595 [0,1,0,1,0,0|1,1,0]=4 22062 B13R2.521 Fc1cc(ccc1I)OC2CC2 34a_100009990212_100000211595 [0,1,0,1,0,0|1,1,0]=4 22063 B13R2.521 Fc1cc(cnc1Cl)OC2CC2 34a_100000063512_100000211595 [0,1,0,1,0,0|2,0,0]=4 22064 B13R2.521 Fc1ccc(cc1Br)OC2CC2 34a_100000693481_100000211595 [0,1,0,1,0,0|1,1,0]=4 22065 B13R2.521 Fc1ccc(cc1Cl)OC2CC2 34a_100000211030_100000211595 [0,1,0,1,0,0|1,1,0]=4 22066 B13R2.521 Fc1ccc(cc1F)OC2CC2 34a_100000181275_100000211595 [0,1,0,1,0,0|1,1,0]=4 22067 B13R2.521 Nc1cc(ccc1Br)OC2CC2 34a_100011999798_100000211595 [0,1,0,1,0,0|1,1,0]=4 22068 B13R2.521 Nc1cc(ccc1Cl)OC2CC2 34a_100011934297_100000211595 [0,1,0,1,0,0|1,0,0]=3 22069 B13R2.521 Nc1cc(ccc1Cl)SC2CC2 62a_200000761891_100000211595 [0,1,0,1,0,0|1,1,0]=4 22070 B13R2.521 Nc1cc(ccc1F)OC2CC2 34a_100012017239_100000211595 [0,1,0,1,0,0|1,1,0]=4 22071 B13R2.521 Nc1ccc(cc1Br)OC2CC2 34a_100012001276_100000211595 [0,1,0,1,0,0|2,0,0]=4 22072 B13R2.521 Nc1ccc(cc1Cl)OC2CC2 34a_100011215599_100000211595 [0,1,0,1,0,0|2,0,0]=4 22073 B13R2.521 Nc1ccc(cc1F)OC2CC2 34a_100000759473_100000211595 [0,1,0,1,0,0|2,0,0]=4 22074 B13R2.521 Nc1ccc(cc1I)OC2CC2 34a_100010084370_100000211595 [0,1,0,1,0,0|2,0,0]=4 22075 B13R2.521 Nc1ccc(cc1N)OC2CC2 34a_100025771000_100000211595 [0,1,0,1,0,0|2,0,0]=4 22076 B13R2.521 Oc1cc(ccc1Cl)NC2CC2 34a_100011934209_100000211595 [0,1,0,1,0,0|2,0,0]=4 22077 B13R2.521 Oc1cc(ccc1Cl)SC2CC2 62a_100011356854_100000211595 [0,1,0,1,0,0|1,1,0]=4 22078 B9R1.12 CCCOc1ccsc1 34a_100000106738_100000210303 [1,0,0,0,1,0|2,0,0]=4 22079 B9R1.12 CCCOc1ccsc1 7a_100000106738_100000210303 [1,0,0,0,1,0|2,0,0]=4 22080 B9R1.12 FCCOc1ccsc1 34a_100000106738_100011217306 [1,0,0,0,1,0|2,0,0]=4 22081 B9R1.12 FCCOc1ccsc1 7a_100000106738_100011217306 [1,0,0,0,1,0|2,0,0]=4 22082 B9R1.12 OCCOc1ccsc1 34a_100000106738_100000211926 [1,0,0,0,1,0|1,0,0]=3 22083 B9R1.12 OCCOc1ccsc1 7a_100000106738_100000211926 [1,0,0,0,1,0|1,0,0]=3 22084 B9R1.12 OCCSc1ccco1 62a_100000211926_100009814098 [1,0,0,0,1,0|1,1,0]=4 22085 B9R1.12 OCCSc1ccco1 62a_100009814098_100000211926 [1,0,0,0,1,0|1,1,0]=4 22086 B9R1.12 OCCSc1cccs1 62a_100000211926_100011215356 [1,0,0,0,1,0|1,1,0]=4 22087 B9R1.12 OCCSc1cccs1 62a_100011215356_100000211926 [1,0,0,0,1,0|1,1,0]=4 22088 B9R1.12 OCCSc1ccoc1 62a_100000211926_100011215275 [1,0,0,0,1,0|1,1,0]=4 22089 B9R1.12 OCCSc1ccoc1 62a_100011215275_100000211926 [1,0,0,0,1,0|1,1,0]=4 22090 B9R1.12 OCCSc1ccsc1 62a_100000211926_100000738268 [1,0,0,0,1,0|1,1,0]=4 22091 B9R1.12 OCCSc1ccsc1 62a_100000738268_100000211926 [1,0,0,0,1,0|1,1,0]=4