0 B14R1.529 C=CC(=NNc1ccc(cc1)F)CC 4a_100000728448_100000747743 [0,0,0,0,0,0|4,0,0]=4 1 B14R1.529 CCC(CC)COc1ccc(cc1)F 34a_100000210339_100011215472 [0,0,0,0,0,0|2,0,2]=4 2 B14R1.529 FCC(=NNc1ccc(cc1)F)CF 4a_100000728448_100000041867 [0,0,0,0,0,0|3,0,1]=4 3 B13R1.14 C=C(C#N)CNc1ccc(cc1)F 34a_100000185862_100000694840 [1,0,0,0,0,0|1,0,2]=4 4 B13R1.14 C=C(C#N)COc1ccc(cc1)Br 34a_100000185759_100000694840 [1,0,0,0,0,0|0,1,2]=4 5 B13R1.14 C=C(C#N)COc1ccc(cc1)C 34a_100000210336_100000694840 [1,0,0,0,0,0|1,0,2]=4 6 B13R1.14 C=C(C#N)COc1ccc(cc1)Cl 34a_100000210216_100000694840 [1,0,0,0,0,0|0,1,2]=4 7 B13R1.14 C=C(C#N)COc1ccc(cc1)F 34a_100000210339_100000694840 [1,0,0,0,0,0|0,0,2]=3 8 B13R1.14 C=C(C#N)COc1ccc(cc1)I 34a_100000212066_100000694840 [1,0,0,0,0,0|0,1,2]=4 9 B13R1.14 C=C(C#N)COc1ccc(cc1)N 34a_100000185829_100000694840 [1,0,0,0,0,0|1,0,2]=4 10 B13R1.14 C=C(C#N)COc1ccc(cn1)F 34a_100000742473_100000694840 [1,0,0,0,0,0|1,0,2]=4 11 B13R1.14 C=C(C#N)COc1ccc(nc1)F 34a_100000688820_100000694840 [1,0,0,0,0,0|1,0,2]=4 12 B13R1.14 C=C(C#N)CSc1ccc(cc1)F 62a_100000211213_100000694840 [1,0,0,0,0,0|0,1,2]=4 13 B13R1.14 C=CC(=NNc1ccc(cc1)F)C 4a_100000728448_200015361842 [1,0,0,0,0,0|3,0,0]=4 14 B13R1.14 C=CC(=O)CCc1ccc(cc1)F 1458a_100000185746_100011217392 [1,0,0,0,0,0|3,0,0]=4 15 B13R1.14 C=CC(O)COc1ccc(cc1)F 34a_100000210339_100000730141 [1,0,0,0,0,0|2,0,1]=4 16 B13R1.14 CC(=NNc1ccc(cc1)F)CF 4a_100000728448_100000039719 [1,0,0,0,0,0|2,0,1]=4 17 B13R1.14 CCC(=O)CCc1ccc(cc1)F 1458a_100000198493_100000210202 [1,0,0,0,0,0|3,0,0]=4 18 B13R1.14 CCC(=O)CCc1ccc(cc1)F 1458a_100000210414_100011217392 [1,0,0,0,0,0|3,0,0]=4 19 B13R1.14 CCC(=O)COc1ccc(cc1)Br 1458a_100000182358_100000210202 [1,0,0,0,0,0|2,1,0]=4 20 B13R1.14 CCC(=O)COc1ccc(cc1)Br 7a_100000185759_100000747405 [1,0,0,0,0,0|2,1,0]=4 21 B13R1.14 CCC(=O)COc1ccc(cc1)C 1458a_100000182360_100000210202 [1,0,0,0,0,0|3,0,0]=4 22 B13R1.14 CCC(=O)COc1ccc(cc1)C 7a_100000210336_100000747405 [1,0,0,0,0,0|3,0,0]=4 23 B13R1.14 CCC(=O)COc1ccc(cc1)Cl 1458a_100016990877_100000210202 [1,0,0,0,0,0|2,1,0]=4 24 B13R1.14 CCC(=O)COc1ccc(cc1)Cl 7a_100000210216_100000747405 [1,0,0,0,0,0|2,1,0]=4 25 B13R1.14 CCC(=O)COc1ccc(cc1)F 1458a_100000184765_100000210202 [1,0,0,0,0,0|2,0,0]=3 26 B13R1.14 CCC(=O)COc1ccc(cc1)I 1458a_100000184369_100000210202 [1,0,0,0,0,0|2,1,0]=4 27 B13R1.14 CCC(=O)COc1ccc(cc1)I 7a_100000212066_100000747405 [1,0,0,0,0,0|2,1,0]=4 28 B13R1.14 CCC(=O)COc1ccc(cc1)O 1458a_100000031633_100000210202 [1,0,0,0,0,0|3,0,0]=4 29 B13R1.14 CCC(=O)COc1ccc(nc1)F 7a_100000688820_100000747405 [1,0,0,0,0,0|3,0,0]=4 30 B13R1.14 CCC(=O)CSc1ccc(cc1)F 1458a_100000691584_100000210202 [1,0,0,0,0,0|2,1,0]=4 31 B13R1.14 CCC(=O)CSc1ccc(cc1)F 62a_100000211213_100000747405 [1,0,0,0,0,0|2,1,0]=4 32 B13R1.14 CCC(=O)CSc1ccc(cc1)F 62a_100000747405_100000211213 [1,0,0,0,0,0|2,1,0]=4 33 B13R1.14 CCC(C)COc1ccc(cc1)F 34a_100000210339_100000748023 [1,0,0,0,0,0|1,0,2]=4 34 B13R1.14 CCC(O)COc1ccc(cc1)F 34a_100000210339_100011218378 [1,0,0,0,0,0|2,0,1]=4 35 B13R1.14 CC[C@H](C)COc1ccc(cc1)F 34a_100000210339_100009816398 [1,0,0,0,0,0|1,0,2]=4 36 B13R1.14 CN(CF)CCc1ccc(cc1)F 269982a_100102946585_100015361967 [1,0,0,0,0,0|2,0,1]=4 37 B13R1.14 CN(CF)CCc1ccc(cc1)F 34a_100102946585_100015361967 [1,0,0,0,0,0|2,0,1]=4 38 B13R1.14 CNC(=O)COc1ccc(cc1)F 11a_106832991635_100000184765 [1,0,0,0,0,0|3,0,0]=4 39 B13R1.14 CNC(=O)COc1ccc(cc1)F 1626a_100102657272_100000184765 [1,0,0,0,0,0|3,0,0]=4 40 B13R1.14 CNC(=O)COc1ccc(cc1)F 240690a_100102657272_100000184765 [1,0,0,0,0,0|3,0,0]=4 41 B13R1.14 CNC(=O)COc1ccc(cc1)F 34a_100000210339_100000183359 [1,0,0,0,0,0|3,0,0]=4 42 B13R1.14 CNC(=O)COc1ccc(cc1)F 527a_100102657272_100000184765 [1,0,0,0,0,0|3,0,0]=4 43 B13R1.14 COC(=O)COc1ccc(cc1)F 34a_100000210339_100000747449 [1,0,0,0,0,0|3,0,0]=4 44 B13R1.14 C[C@@H](CO)COc1ccc(cc1)F 34a_100000210339_100000059175 [1,0,0,0,0,0|1,0,2]=4 45 B13R1.14 Cc1ccc(cc1)OCC(=O)CF 1458a_100000182360_100015361967 [1,0,0,0,0,0|2,0,1]=4 46 B13R1.14 NNC(=O)COc1ccc(cc1)O 271570a_203496583355_100000182278 [1,0,0,0,0,0|3,0,0]=4 47 B13R1.14 O=C(CF)CCc1ccc(cc1)F 1458a_100000198493_100015361967 [1,0,0,0,0,0|2,0,1]=4 48 B13R1.14 O=C(CF)COc1ccc(cc1)Br 1458a_100000182358_100015361967 [1,0,0,0,0,0|1,1,1]=4 49 B13R1.14 O=C(CF)COc1ccc(cc1)Cl 1458a_100016990877_100015361967 [1,0,0,0,0,0|1,1,1]=4 50 B13R1.14 O=C(CF)COc1ccc(cc1)F 1458a_100000184765_100015361967 [1,0,0,0,0,0|1,0,1]=3 51 B13R1.14 O=C(CF)COc1ccc(cc1)I 1458a_100000184369_100015361967 [1,0,0,0,0,0|1,1,1]=4 52 B13R1.14 O=C(CF)COc1ccc(cc1)O 1458a_100000031633_100015361967 [1,0,0,0,0,0|2,0,1]=4 53 B13R1.14 O=C(CF)CSc1ccc(cc1)F 1458a_100000691584_100015361967 [1,0,0,0,0,0|1,1,1]=4 54 B13R1.14 O=C(CO)CCc1ccc(cc1)F 1458a_100000210174_100011217392 [1,0,0,0,0,0|3,0,0]=4 55 B13R1.14 OCC(O)COc1ccc(cc1)F 34a_100000210339_100011219619 [1,0,0,0,0,0|2,0,1]=4 56 B13R1.14 OC[C@H](O)COc1ccc(cc1)F 34a_100000210339_100009815848 [1,0,0,0,0,0|2,0,1]=4 57 B13R1.14 O[C@@H](CF)COc1ccc(cc1)F 34a_100000210339_100015614560 [1,0,0,0,0,0|1,0,2]=4 58 B13R1.417 COC(CN)COc1ccccc1 34a_100000738913_200000210301 [1,0,0,0,0,0|2,0,1]=4 59 B13R1.417 [13CH3]OC(CN)COc1ccccc1 34a_100000738913_200025704644 [1,0,0,0,0,0|2,0,1]=4 60 B15R2.100 Fc1ccc(cc1)NCc2cc[nH]n2 207a_100000185862_100000738523 [0,0,0,1,0,0|3,0,0]=4 61 B15R2.100 Fc1ccc(cc1)NCc2cn[nH]c2 207a_100000185862_100016992096 [0,0,0,1,0,0|2,0,1]=4 62 B15R2.100 Fc1ccc(cc1)NCc2cn[nH]c2 270302a_100000185862_100016992096 [0,0,0,1,0,0|2,0,1]=4 63 B15R2.100 Fc1ccc(cc1)OCc2c[nH]cn2 34a_100000210339_100000707719 [0,0,0,1,0,0|2,0,1]=4 64 B15R2.100 Fc1ccc(cc1)OCc2ccn[nH]2 34a_100000210339_100000728653 [0,0,0,1,0,0|2,0,1]=4 65 B15R2.100 Fc1ccc(cc1)OCc2ccon2 34a_100000210339_100000234950 [0,0,0,1,0,0|3,0,0]=4 66 B15R2.100 Fc1ccc(cc1)OCc2ccsc2 34a_100000210339_100011261437 [0,0,0,1,0,0|2,0,1]=4 67 B15R2.100 Fc1ccc(cc1)OCc2cncs2 34a_100000210339_100015185245 [0,0,0,1,0,0|3,0,0]=4 68 B15R2.100 Fc1ccc(cc1)OCc2cscn2 34a_100000210339_100000205941 [0,0,0,1,0,0|3,0,0]=4 69 B15R2.275 NCc1ccc(o1)c2ccc(cc2)F 271570a_100011934326_100000708654 [0,0,0,1,0,0|3,0,0]=4 70 B15R2.275 NCc1ccc(s1)c2ccc(cc2)F 271570a_100011934326_100000737305 [0,0,0,1,0,0|3,0,0]=4 71 B15R2.275 NCc1cnc(s1)c2ccc(cc2)F 271570a_100011934326_100000726991 [0,0,0,1,0,0|3,0,0]=4 72 B13R1.145 CCN(CF)Cc1ccc(cc1)F 269982a_100015183324_100015361967 [0,0,0,0,1,0|2,0,1]=4 73 B13R1.145 CCN(CF)Cc1ccc(cc1)F 34a_100015183324_100015361967 [0,0,0,0,1,0|2,0,1]=4 74 B12R1.1 C/C=C/CNc1ccc(cc1)F 34a_100000185862_100102629194 [2,0,0,0,0,0|2,0,0]=4 75 B12R1.1 C/C=C/COc1ccc(cc1)Br 34a_100000185759_100102629194 [2,0,0,0,0,0|1,1,0]=4 76 B12R1.1 C/C=C/COc1ccc(cc1)Br 7a_100000185759_100102629194 [2,0,0,0,0,0|1,1,0]=4 77 B12R1.1 C/C=C/COc1ccc(cc1)C 34a_100000210336_100102629194 [2,0,0,0,0,0|2,0,0]=4 78 B12R1.1 C/C=C/COc1ccc(cc1)C 7a_100000210336_100102629194 [2,0,0,0,0,0|2,0,0]=4 79 B12R1.1 C/C=C/COc1ccc(cc1)Cl 34a_100000210216_100102629194 [2,0,0,0,0,0|1,1,0]=4 80 B12R1.1 C/C=C/COc1ccc(cc1)Cl 7a_100000210216_100102629194 [2,0,0,0,0,0|1,1,0]=4 81 B12R1.1 C/C=C/COc1ccc(cc1)F 34a_100000210339_100102629194 [2,0,0,0,0,0|1,0,0]=3 82 B12R1.1 C/C=C/COc1ccc(cc1)I 34a_100000212066_100102629194 [2,0,0,0,0,0|1,1,0]=4 83 B12R1.1 C/C=C/COc1ccc(cc1)I 7a_100000212066_100102629194 [2,0,0,0,0,0|1,1,0]=4 84 B12R1.1 C/C=C/COc1ccc(cc1)N 34a_100000185829_100102629194 [2,0,0,0,0,0|2,0,0]=4 85 B12R1.1 C/C=C/COc1ccc(cn1)F 34a_100000742473_100102629194 [2,0,0,0,0,0|2,0,0]=4 86 B12R1.1 C/C=C/COc1ccc(nc1)F 34a_100000688820_100102629194 [2,0,0,0,0,0|2,0,0]=4 87 B12R1.1 C/C=C/COc1ccc(nc1)F 7a_100000688820_100102629194 [2,0,0,0,0,0|2,0,0]=4 88 B12R1.1 C/C=C/CSc1ccc(cc1)F 62a_100000211213_100102629194 [2,0,0,0,0,0|1,1,0]=4 89 B12R1.1 C/C=C/CSc1ccc(cc1)F 62a_100102629194_100000211213 [2,0,0,0,0,0|1,1,0]=4 90 B12R1.1 C=CCCOc1ccc(cc1)F 34a_100000210339_100000754431 [2,0,0,0,0,0|1,0,1]=4 91 B12R1.1 CC=CCNc1ccc(cc1)F 34a_100000185862_100000070051 [2,0,0,0,0,0|2,0,0]=4 92 B12R1.1 CC=CCOc1ccc(cc1)Br 34a_100000185759_100000070051 [2,0,0,0,0,0|1,1,0]=4 93 B12R1.1 CC=CCOc1ccc(cc1)Br 7a_100000185759_100000070051 [2,0,0,0,0,0|1,1,0]=4 94 B12R1.1 CC=CCOc1ccc(cc1)C 34a_100000210336_100000070051 [2,0,0,0,0,0|2,0,0]=4 95 B12R1.1 CC=CCOc1ccc(cc1)C 7a_100000210336_100000070051 [2,0,0,0,0,0|2,0,0]=4 96 B12R1.1 CC=CCOc1ccc(cc1)Cl 34a_100000210216_100000070051 [2,0,0,0,0,0|1,1,0]=4 97 B12R1.1 CC=CCOc1ccc(cc1)Cl 7a_100000210216_100000070051 [2,0,0,0,0,0|1,1,0]=4 98 B12R1.1 CC=CCOc1ccc(cc1)F 34a_100000210339_100000070051 [2,0,0,0,0,0|1,0,0]=3 99 B12R1.1 CC=CCOc1ccc(cc1)I 34a_100000212066_100000070051 [2,0,0,0,0,0|1,1,0]=4 100 B12R1.1 CC=CCOc1ccc(cc1)I 7a_100000212066_100000070051 [2,0,0,0,0,0|1,1,0]=4 101 B12R1.1 CC=CCOc1ccc(cc1)N 34a_100000185829_100000070051 [2,0,0,0,0,0|2,0,0]=4 102 B12R1.1 CC=CCOc1ccc(cn1)F 34a_100000742473_100000070051 [2,0,0,0,0,0|2,0,0]=4 103 B12R1.1 CC=CCOc1ccc(nc1)F 34a_100000688820_100000070051 [2,0,0,0,0,0|2,0,0]=4 104 B12R1.1 CC=CCOc1ccc(nc1)F 7a_100000688820_100000070051 [2,0,0,0,0,0|2,0,0]=4 105 B12R1.1 CC=CCSc1ccc(cc1)F 62a_100000070051_100000211213 [2,0,0,0,0,0|1,1,0]=4 106 B12R1.1 CC=CCSc1ccc(cc1)F 62a_100000211213_100000070051 [2,0,0,0,0,0|1,1,0]=4 107 B12R1.1 CCCCOc1ccc(cc1)F 34a_100000210339_100000210210 [2,0,0,0,0,0|1,0,1]=4 108 B12R1.1 FCCCOc1ccc(cc1)F 34a_100000210339_100011934791 [2,0,0,0,0,0|0,0,2]=4 109 B12R1.1 OCCCOc1ccc(cc1)F 34a_100000210339_100000230001 [2,0,0,0,0,0|1,0,1]=4 110 B12R1.21 C=C(C)CNc1ccc(cc1)Br 2230a_100000210018_100000748629 [2,0,0,0,0,0|1,1,0]=4 111 B12R1.21 C=C(C)CNc1ccc(cc1)Br 34a_100000210018_100000748629 [2,0,0,0,0,0|1,1,0]=4 112 B12R1.21 C=C(C)CNc1ccc(cc1)C 34a_100000124888_100000748629 [2,0,0,0,0,0|2,0,0]=4 113 B12R1.21 C=C(C)CNc1ccc(cc1)Cl 2230a_100000210052_100000748629 [2,0,0,0,0,0|1,1,0]=4 114 B12R1.21 C=C(C)CNc1ccc(cc1)Cl 34a_100000210052_100000748629 [2,0,0,0,0,0|1,1,0]=4 115 B12R1.21 C=C(C)CNc1ccc(cc1)F 34a_100000185862_100000748629 [2,0,0,0,0,0|1,0,0]=3 116 B12R1.21 C=C(C)CNc1ccc(cc1)I 34a_100000185761_100000748629 [2,0,0,0,0,0|1,1,0]=4 117 B12R1.21 C=C(C)CNc1ccc(cc1)O 34a_100000185829_100000748629 [2,0,0,0,0,0|2,0,0]=4 118 B12R1.21 C=C(C)COc1ccc(=O)[nH]c1 34a_100000075641_100000748629 [2,0,0,0,0,0|2,0,0]=4 119 B12R1.21 C=C(C)COc1ccc(cc1)Br 34a_100000185759_100000748629 [2,0,0,0,0,0|0,1,0]=3 120 B12R1.21 C=C(C)COc1ccc(cc1)Br 7a_100000185759_100000748629 [2,0,0,0,0,0|0,1,0]=3 121 B12R1.21 C=C(C)COc1ccc(cc1)C 34a_100000210336_100000748629 [2,0,0,0,0,0|1,0,0]=3 122 B12R1.21 C=C(C)COc1ccc(cc1)C 7a_100000210336_100000748629 [2,0,0,0,0,0|1,0,0]=3 123 B12R1.21 C=C(C)COc1ccc(cc1)Cl 34a_100000210216_100000748629 [2,0,0,0,0,0|0,1,0]=3 124 B12R1.21 C=C(C)COc1ccc(cc1)Cl 7a_100000210216_100000748629 [2,0,0,0,0,0|0,1,0]=3 125 B12R1.21 C=C(C)COc1ccc(cc1)F 34a_100000210339_100000748629 [2,0,0,0,0,0|0,0,0]=2 126 B12R1.21 C=C(C)COc1ccc(cc1)I 34a_100000212066_100000748629 [2,0,0,0,0,0|0,1,0]=3 127 B12R1.21 C=C(C)COc1ccc(cc1)I 7a_100000212066_100000748629 [2,0,0,0,0,0|0,1,0]=3 128 B12R1.21 C=C(C)COc1ccc(cc1)N 34a_100000185829_100000748629 [2,0,0,0,0,0|1,0,0]=3 129 B12R1.21 C=C(C)COc1ccc(cn1)C 34a_100000759353_100000748629 [2,0,0,0,0,0|2,0,0]=4 130 B12R1.21 C=C(C)COc1ccc(cn1)Cl 34a_100011215309_100000748629 [2,0,0,0,0,0|1,1,0]=4 131 B12R1.21 C=C(C)COc1ccc(cn1)F 34a_100000742473_100000748629 [2,0,0,0,0,0|1,0,0]=3 132 B12R1.21 C=C(C)COc1ccc(cn1)N 34a_100000729260_100000748629 [2,0,0,0,0,0|2,0,0]=4 133 B12R1.21 C=C(C)COc1ccc(nc1)Br 34a_100000685995_100000748629 [2,0,0,0,0,0|1,1,0]=4 134 B12R1.21 C=C(C)COc1ccc(nc1)Br 7a_100000685995_100000748629 [2,0,0,0,0,0|1,1,0]=4 135 B12R1.21 C=C(C)COc1ccc(nc1)C 34a_100000745506_100000748629 [2,0,0,0,0,0|2,0,0]=4 136 B12R1.21 C=C(C)COc1ccc(nc1)C 7a_100000745506_100000748629 [2,0,0,0,0,0|2,0,0]=4 137 B12R1.21 C=C(C)COc1ccc(nc1)Cl 34a_100000744096_100000748629 [2,0,0,0,0,0|1,1,0]=4 138 B12R1.21 C=C(C)COc1ccc(nc1)Cl 7a_100000744096_100000748629 [2,0,0,0,0,0|1,1,0]=4 139 B12R1.21 C=C(C)COc1ccc(nc1)F 34a_100000688820_100000748629 [2,0,0,0,0,0|1,0,0]=3 140 B12R1.21 C=C(C)COc1ccc(nc1)F 7a_100000688820_100000748629 [2,0,0,0,0,0|1,0,0]=3 141 B12R1.21 C=C(C)COc1ccc(nc1)I 34a_100000687607_100000748629 [2,0,0,0,0,0|1,1,0]=4 142 B12R1.21 C=C(C)COc1ccc(nc1)I 7a_100000687607_100000748629 [2,0,0,0,0,0|1,1,0]=4 143 B12R1.21 C=C(C)COc1ccc(nc1)N 34a_100015188713_100000748629 [2,0,0,0,0,0|2,0,0]=4 144 B12R1.21 C=C(C)COc1ccc(nc1)N 7a_100015188713_100000748629 [2,0,0,0,0,0|2,0,0]=4 145 B12R1.21 C=C(C)COc1cnc(nc1)F 34a_200009874573_100000748629 [2,0,0,0,0,0|2,0,0]=4 146 B12R1.21 C=C(C)COc1cnc(nc1)F 7a_200009874573_100000748629 [2,0,0,0,0,0|2,0,0]=4 147 B12R1.21 C=C(C)COc1ncc(cn1)F 34a_100011934040_100000748629 [2,0,0,0,0,0|2,0,0]=4 148 B12R1.21 C=C(C)CSc1ccc(cc1)Br 62a_100000748629_100000752885 [2,0,0,0,0,0|0,2,0]=4 149 B12R1.21 C=C(C)CSc1ccc(cc1)Br 62a_100000752885_100000211660 [2,0,0,0,0,0|0,2,0]=4 150 B12R1.21 C=C(C)CSc1ccc(cc1)C 62a_100000186775_100000211660 [2,0,0,0,0,0|1,1,0]=4 151 B12R1.21 C=C(C)CSc1ccc(cc1)C 62a_100000748629_100000186775 [2,0,0,0,0,0|1,1,0]=4 152 B12R1.21 C=C(C)CSc1ccc(cc1)Cl 62a_100000748629_100000755918 [2,0,0,0,0,0|0,2,0]=4 153 B12R1.21 C=C(C)CSc1ccc(cc1)Cl 62a_100000755918_100000211660 [2,0,0,0,0,0|0,2,0]=4 154 B12R1.21 C=C(C)CSc1ccc(cc1)F 62a_100000211213_100000211660 [2,0,0,0,0,0|0,1,0]=3 155 B12R1.21 C=C(C)CSc1ccc(cc1)F 62a_100000748629_100000211213 [2,0,0,0,0,0|0,1,0]=3 156 B12R1.21 C=C(C)CSc1ccc(cc1)N 62a_100000185761_100000211660 [2,0,0,0,0,0|1,1,0]=4 157 B12R1.21 C=C(C)CSc1ccc(cc1)N 62a_100000748629_100000185761 [2,0,0,0,0,0|1,1,0]=4 158 B12R1.21 C=C(C)CSc1ccc(cc1)O 62a_100000748629_100000185759 [2,0,0,0,0,0|1,1,0]=4 159 B12R1.21 C=C(C)CSc1ccc(cn1)F 62a_100000744514_100000211660 [2,0,0,0,0,0|1,1,0]=4 160 B12R1.21 C=C(C)CSc1ccc(cn1)F 62a_100000748629_100000744514 [2,0,0,0,0,0|1,1,0]=4 161 B12R1.21 C=C(C)CSc1ccc(nc1)F 62a_100000042367_100000211660 [2,0,0,0,0,0|1,1,0]=4 162 B12R1.21 C=C(C)CSc1ccc(nc1)F 62a_100000748629_100000042367 [2,0,0,0,0,0|1,1,0]=4 163 B12R1.21 C=C(F)CNc1ccc(cc1)F 34a_100000185862_100009893438 [2,0,0,0,0,0|1,0,1]=4 164 B12R1.21 C=C(F)COc1ccc(cc1)Br 34a_100000185759_100009893438 [2,0,0,0,0,0|0,1,1]=4 165 B12R1.21 C=C(F)COc1ccc(cc1)Br 7a_100000185759_100000042424 [2,0,0,0,0,0|0,1,1]=4 166 B12R1.21 C=C(F)COc1ccc(cc1)C 34a_100000210336_100009893438 [2,0,0,0,0,0|1,0,1]=4 167 B12R1.21 C=C(F)COc1ccc(cc1)C 7a_100000210336_100000042424 [2,0,0,0,0,0|1,0,1]=4 168 B12R1.21 C=C(F)COc1ccc(cc1)Cl 34a_100000210216_100009893438 [2,0,0,0,0,0|0,1,1]=4 169 B12R1.21 C=C(F)COc1ccc(cc1)Cl 7a_100000210216_100000042424 [2,0,0,0,0,0|0,1,1]=4 170 B12R1.21 C=C(F)COc1ccc(cc1)F 34a_100000210339_100009893438 [2,0,0,0,0,0|0,0,1]=3 171 B12R1.21 C=C(F)COc1ccc(cc1)I 34a_100000212066_100009893438 [2,0,0,0,0,0|0,1,1]=4 172 B12R1.21 C=C(F)COc1ccc(cc1)I 7a_100000212066_100000042424 [2,0,0,0,0,0|0,1,1]=4 173 B12R1.21 C=C(F)COc1ccc(cc1)N 34a_100000185829_100009893438 [2,0,0,0,0,0|1,0,1]=4 174 B12R1.21 C=C(F)COc1ccc(cn1)F 34a_100000742473_100009893438 [2,0,0,0,0,0|1,0,1]=4 175 B12R1.21 C=C(F)COc1ccc(nc1)F 34a_100000688820_100009893438 [2,0,0,0,0,0|1,0,1]=4 176 B12R1.21 C=C(F)COc1ccc(nc1)F 7a_100000688820_100000042424 [2,0,0,0,0,0|1,0,1]=4 177 B12R1.21 C=C(F)CSc1ccc(cc1)F 62a_100000042424_100000211213 [2,0,0,0,0,0|0,1,1]=4 178 B12R1.21 C=C(F)CSc1ccc(cc1)F 62a_100000211213_100000042424 [2,0,0,0,0,0|0,1,1]=4 179 B12R1.21 CC(=O)CCc1ccc(cc1)F 1458a_100000070787_100011217392 [2,0,0,0,0,0|2,0,0]=4 180 B12R1.21 CC(=O)CCc1ccc(cc1)F 1458a_100000198493_200000210301 [2,0,0,0,0,0|2,0,0]=4 181 B12R1.21 CC(=O)COc1ccc(cc1)Br 1458a_100000182358_200000210301 [2,0,0,0,0,0|1,1,0]=4 182 B12R1.21 CC(=O)COc1ccc(cc1)C 1458a_100000182360_200000210301 [2,0,0,0,0,0|2,0,0]=4 183 B12R1.21 CC(=O)COc1ccc(cc1)Cl 1458a_100016990877_200000210301 [2,0,0,0,0,0|1,1,0]=4 184 B12R1.21 CC(=O)COc1ccc(cc1)F 1458a_100000184765_200000210301 [2,0,0,0,0,0|1,0,0]=3 185 B12R1.21 CC(=O)COc1ccc(cc1)I 1458a_100000184369_200000210301 [2,0,0,0,0,0|1,1,0]=4 186 B12R1.21 CC(=O)COc1ccc(cc1)O 1458a_100000031633_200000210301 [2,0,0,0,0,0|2,0,0]=4 187 B12R1.21 CC(=O)CSc1ccc(cc1)F 1458a_100000691584_200000210301 [2,0,0,0,0,0|1,1,0]=4 188 B12R1.21 CC(C)COc1ccc(cc1)F 34a_100000210339_100000210624 [2,0,0,0,0,0|0,0,2]=4 189 B12R1.21 CC(O)COc1ccc(cc1)F 34a_100000210339_100011218427 [2,0,0,0,0,0|1,0,1]=4 190 B12R1.21 C[C@@H](O)COc1ccc(cc1)F 34a_100000210339_100009817552 [2,0,0,0,0,0|1,0,1]=4 191 B12R1.21 Cc1ccc(cc1)OCC(=O)N 34a_100000210336_100000187820 [2,0,0,0,0,0|2,0,0]=4 192 B12R1.21 Cc1ccc(cc1)OCC(=O)N 7a_100000210336_100000187820 [2,0,0,0,0,0|2,0,0]=4 193 B12R1.21 Cc1ccc(cc1)OCC(=O)[13CH3] 1458a_100000182360_200025704644 [2,0,0,0,0,0|2,0,0]=4 194 B12R1.21 Fc1ccc(cc1)OCC(F)F 34a_100000210339_100011934356 [2,0,0,0,0,0|1,0,1]=4 195 B12R1.21 NC(=O)CNc1ccc(cc1)F 34a_100000185862_100000187820 [2,0,0,0,0,0|2,0,0]=4 196 B12R1.21 NC(=O)COc1ccc(cc1)Br 34a_100000185759_100000187820 [2,0,0,0,0,0|1,1,0]=4 197 B12R1.21 NC(=O)COc1ccc(cc1)Br 7a_100000185759_100000187820 [2,0,0,0,0,0|1,1,0]=4 198 B12R1.21 NC(=O)COc1ccc(cc1)Cl 34a_100000210216_100000187820 [2,0,0,0,0,0|1,1,0]=4 199 B12R1.21 NC(=O)COc1ccc(cc1)Cl 7a_100000210216_100000187820 [2,0,0,0,0,0|1,1,0]=4 200 B12R1.21 NC(=O)COc1ccc(cc1)F 34a_100000210339_100000187820 [2,0,0,0,0,0|1,0,0]=3 201 B12R1.21 NC(=O)COc1ccc(cc1)I 34a_100000212066_100000187820 [2,0,0,0,0,0|1,1,0]=4 202 B12R1.21 NC(=O)COc1ccc(cc1)I 7a_100000212066_100000187820 [2,0,0,0,0,0|1,1,0]=4 203 B12R1.21 NC(=O)COc1ccc(cc1)N 34a_100000185829_100000187820 [2,0,0,0,0,0|2,0,0]=4 204 B12R1.21 NC(=O)COc1ccc(cn1)F 34a_100000742473_100000187820 [2,0,0,0,0,0|2,0,0]=4 205 B12R1.21 NC(=O)COc1ccc(nc1)F 34a_100000688820_100000187820 [2,0,0,0,0,0|2,0,0]=4 206 B12R1.21 NC(=O)COc1ccc(nc1)F 7a_100000688820_100000187820 [2,0,0,0,0,0|2,0,0]=4 207 B12R1.21 NC(=O)CSc1ccc(cc1)F 62a_100000211213_100000747473 [2,0,0,0,0,0|1,1,0]=4 208 B12R1.21 NC(=O)CSc1ccc(cc1)F 62a_100000747473_100000211213 [2,0,0,0,0,0|1,1,0]=4 209 B12R1.21 O=C([O-])COc1ccc(cc1)F 34a_100000210339_100020667443 [2,0,0,0,0,0|2,0,0]=4 210 B12R1.21 [13CH3]C(=O)CCc1ccc(cc1)F 1458a_100000198493_200025704644 [2,0,0,0,0,0|2,0,0]=4 211 B12R1.21 [13CH3]C(=O)COc1ccc(cc1)Br 1458a_100000182358_200025704644 [2,0,0,0,0,0|1,1,0]=4 212 B12R1.21 [13CH3]C(=O)COc1ccc(cc1)Cl 1458a_100016990877_200025704644 [2,0,0,0,0,0|1,1,0]=4 213 B12R1.21 [13CH3]C(=O)COc1ccc(cc1)F 1458a_100000184765_200025704644 [2,0,0,0,0,0|1,0,0]=3 214 B12R1.21 [13CH3]C(=O)COc1ccc(cc1)I 1458a_100000184369_200025704644 [2,0,0,0,0,0|1,1,0]=4 215 B12R1.21 [13CH3]C(=O)COc1ccc(cc1)O 1458a_100000031633_200025704644 [2,0,0,0,0,0|2,0,0]=4 216 B12R1.21 [13CH3]C(=O)CSc1ccc(cc1)F 1458a_100000691584_200025704644 [2,0,0,0,0,0|1,1,0]=4 217 B12R1.27 C=C(C#N)COc1ccccc1 34a_100000210340_100000694840 [2,0,0,0,0,0|0,0,2]=4 218 B12R1.27 CCC(=O)COc1ccccc1 1458a_100000186222_100000210202 [2,0,0,0,0,0|2,0,0]=4 219 B12R1.27 CCC(=O)COc1ccccc1 7a_100000210340_100000747405 [2,0,0,0,0,0|2,0,0]=4 220 B12R1.27 O=C(CF)COc1ccccc1 1458a_100000186222_100015361967 [2,0,0,0,0,0|1,0,1]=4 221 B14R1.134 CC(Oc1ccc(cc1)F)C(=O)CF 1458a_100000203723_100015361967 [1,1,0,0,0,0|1,0,1]=4 222 B14R1.134 CCC(=O)C(C)Oc1ccc(cc1)F 1458a_100000203723_100000210202 [1,1,0,0,0,0|2,0,0]=4 223 B14R1.502 C#CCC(=O)COc1ccc(cc1)F 1458a_100000184765_100000184674 [1,1,0,0,0,0|2,0,0]=4 224 B14R1.502 C=CCC(=O)COc1ccc(cc1)F 1458a_100000184765_100000210623 [1,1,0,0,0,0|2,0,0]=4 225 B14R1.502 C=COC(=O)COc1ccc(cc1)F 34a_100000210339_100000036128 [1,1,0,0,0,0|2,0,0]=4 226 B14R1.502 CCCC(=O)COc1ccc(cc1)F 1458a_100000184765_100000210303 [1,1,0,0,0,0|2,0,0]=4 227 B14R1.502 CCNC(=O)COc1ccc(cc1)F 11a_100015525214_100000184765 [1,1,0,0,0,0|2,0,0]=4 228 B14R1.502 CCNC(=O)COc1ccc(cc1)F 240690a_100015525214_100000184765 [1,1,0,0,0,0|2,0,0]=4 229 B14R1.502 CCNC(=O)COc1ccc(cc1)F 34a_100000210339_100000183381 [1,1,0,0,0,0|2,0,0]=4 230 B14R1.502 CCNC(=O)COc1ccc(cc1)F 527a_100015525214_100000184765 [1,1,0,0,0,0|2,0,0]=4 231 B14R1.502 CCOC(=O)COc1ccc(cc1)F 34a_100000210339_100000188475 [1,1,0,0,0,0|2,0,0]=4 232 B14R1.502 CNNC(=O)COc1ccc(cc1)F 22a_100016993582_100000184765 [1,1,0,0,0,0|2,0,0]=4 233 B14R1.502 N#CCC(=O)COc1ccc(cc1)F 1458a_100000184765_100011214920 [1,1,0,0,0,0|1,0,1]=4 234 B14R1.502 O=C(CCF)COc1ccc(cc1)F 1458a_100000184765_100011217306 [1,1,0,0,0,0|1,0,1]=4 235 B14R1.502 O=C(CCO)COc1ccc(cc1)F 1458a_100000184765_100000211926 [1,1,0,0,0,0|2,0,0]=4 236 B14R1.502 O=C(COc1ccc(cc1)F)NCO 34a_100000210339_100000185155 [1,1,0,0,0,0|2,0,0]=4 237 B14R1.679 CC(=O)C(=O)COc1ccc(cc1)F 34a_100000210339_100011261029 [1,1,0,0,0,0|2,0,0]=4 238 B14R1.679 CC(C)C(=O)COc1ccc(cc1)F 1458a_100000184765_100000210206 [1,1,0,0,0,0|2,0,0]=4 239 B14R1.679 CC(C)C(=O)COc1ccc(cc1)F 34a_100000210339_100000753385 [1,1,0,0,0,0|2,0,0]=4 240 B14R1.727 C=C(C#N)COc1ccc(cc1Br)F 34a_100000211999_100000694840 [1,1,0,0,0,0|0,0,2]=4 241 B14R1.727 C=C(C#N)COc1ccc(cc1C)F 34a_100000764316_100000694840 [1,1,0,0,0,0|0,0,2]=4 242 B14R1.727 C=C(C#N)COc1ccc(cc1Cl)F 34a_100000212004_100000694840 [1,1,0,0,0,0|0,0,2]=4 243 B14R1.727 C=C(C#N)COc1ccc(cc1F)F 34a_100000230127_100000694840 [1,1,0,0,0,0|0,0,2]=4 244 B14R1.727 C=C(C#N)COc1ccc(cc1I)F 34a_100012355409_100000694840 [1,1,0,0,0,0|0,0,2]=4 245 B14R1.727 C=C(C#N)COc1ccc(cc1N)F 34a_100000759472_100000694840 [1,1,0,0,0,0|0,0,2]=4 246 B14R1.727 CCC(=O)COc1ccc(cc1Br)F 1458a_100000184067_100000210202 [1,1,0,0,0,0|2,0,0]=4 247 B14R1.727 CCC(=O)COc1ccc(cc1Br)F 7a_100000211999_100000747405 [1,1,0,0,0,0|2,0,0]=4 248 B14R1.727 CCC(=O)COc1ccc(cc1C)F 7a_100000764316_100000747405 [1,1,0,0,0,0|2,0,0]=4 249 B14R1.727 CCC(=O)COc1ccc(cc1Cl)F 1458a_100000191239_100000210202 [1,1,0,0,0,0|2,0,0]=4 250 B14R1.727 CCC(=O)COc1ccc(cc1Cl)F 7a_100000212004_100000747405 [1,1,0,0,0,0|2,0,0]=4 251 B14R1.727 CCC(=O)COc1ccc(cc1F)F 1458a_100000737261_100000210202 [1,1,0,0,0,0|2,0,0]=4 252 B14R1.727 CCC(=O)COc1ccc(cc1F)F 7a_100000230127_100000747405 [1,1,0,0,0,0|2,0,0]=4 253 B14R1.727 CCC(=O)COc1ccc(cc1I)F 7a_100012355409_100000747405 [1,1,0,0,0,0|2,0,0]=4 254 B14R1.727 CCC(=O)COc1ccc(cc1N)F 7a_100000759472_100000747405 [1,1,0,0,0,0|2,0,0]=4 255 B14R1.727 O=C(CF)COc1ccc(cc1Br)F 1458a_100000184067_100015361967 [1,1,0,0,0,0|1,0,1]=4 256 B14R1.727 O=C(CF)COc1ccc(cc1Cl)F 1458a_100000191239_100015361967 [1,1,0,0,0,0|1,0,1]=4 257 B14R1.727 O=C(CF)COc1ccc(cc1F)F 1458a_100000737261_100015361967 [1,1,0,0,0,0|1,0,1]=4 258 B14R1.833 C=C(C#N)COc1ccc(c(c1)Br)F 34a_100000693481_100000694840 [1,1,0,0,0,0|0,0,2]=4 259 B14R1.833 C=C(C#N)COc1ccc(c(c1)C)F 34a_100000751312_100000694840 [1,1,0,0,0,0|0,0,2]=4 260 B14R1.833 C=C(C#N)COc1ccc(c(c1)Cl)F 34a_100000211030_100000694840 [1,1,0,0,0,0|0,0,2]=4 261 B14R1.833 C=C(C#N)COc1ccc(c(c1)F)F 34a_100000181275_100000694840 [1,1,0,0,0,0|0,0,2]=4 262 B14R1.833 C=C(C#N)COc1ccc(c(c1)N)F 34a_100012017239_100000694840 [1,1,0,0,0,0|0,0,2]=4 263 B14R1.833 CCC(=O)COc1ccc(c(c1)Br)F 7a_100000693481_100000747405 [1,1,0,0,0,0|2,0,0]=4 264 B14R1.833 CCC(=O)COc1ccc(c(c1)C)F 7a_100000751312_100000747405 [1,1,0,0,0,0|2,0,0]=4 265 B14R1.833 CCC(=O)COc1ccc(c(c1)Cl)F 1458a_100000191248_100000210202 [1,1,0,0,0,0|2,0,0]=4 266 B14R1.833 CCC(=O)COc1ccc(c(c1)Cl)F 7a_100000211030_100000747405 [1,1,0,0,0,0|2,0,0]=4 267 B14R1.833 CCC(=O)COc1ccc(c(c1)F)F 1458a_100000246063_100000210202 [1,1,0,0,0,0|2,0,0]=4 268 B14R1.833 CCC(=O)COc1ccc(c(c1)F)F 7a_100000181275_100000747405 [1,1,0,0,0,0|2,0,0]=4 269 B14R1.833 CCC(=O)COc1ccc(c(c1)N)F 7a_100012017239_100000747405 [1,1,0,0,0,0|2,0,0]=4 270 B14R1.833 O=C(CF)COc1ccc(c(c1)Cl)F 1458a_100000191248_100015361967 [1,1,0,0,0,0|1,0,1]=4 271 B14R1.833 O=C(CF)COc1ccc(c(c1)F)F 1458a_100000246063_100015361967 [1,1,0,0,0,0|1,0,1]=4 272 B14R1.979 NCC(COc1ccccc1)OCF 34a_100000738913_100015361967 [1,1,0,0,0,0|0,0,2]=4 273 B14R2.946 O=C1CCC1Oc2ccc(cc2)F 34a_100000210339_100009892977 [1,0,0,1,0,0|2,0,0]=4 274 B16R2.137 Cn1cc(cn1)COc2ccc(cc2)F 34a_100000210339_100000744441 [0,1,0,1,0,0|1,0,1]=4 275 B16R2.137 Cn1ccc(n1)COc2ccc(cc2)F 34a_100000210339_100000726502 [0,1,0,1,0,0|2,0,0]=4 276 B16R2.137 O=C1C=C(CO1)COc2ccc(cc2)F 34a_100000210339_100000716558 [0,1,0,1,0,0|2,0,0]=4 277 B16R2.137 O=C1NCC(O1)COc2ccc(cc2)F 34a_100000210339_100000181169 [0,1,0,1,0,0|1,0,1]=4 278 B16R2.28224 CNCc1coc2ccc(cc2c1=O)F 270004a_106832991635_100000010196 [0,1,0,1,0,0|1,0,1]=4 279 B12R1.49 C=CC(=O)Cc1ccc(cc1)F 1458a_100000185746_100000198546 [1,0,0,0,1,0|2,0,0]=4 280 B12R1.49 CCC(=O)Cc1ccc(cc1)F 1458a_100000210414_100000198546 [1,0,0,0,1,0|2,0,0]=4 281 B12R1.49 CCC(=O)Cc1ccc(cc1)F 1458a_100000210951_100000210202 [1,0,0,0,1,0|2,0,0]=4 282 B12R1.49 CN(CF)Cc1ccc(cc1)F 269982a_100000184576_100015361967 [1,0,0,0,1,0|1,0,1]=4 283 B12R1.49 CN(CF)Cc1ccc(cc1)F 34a_100000184576_100015361967 [1,0,0,0,1,0|1,0,1]=4 284 B12R1.49 O=C(CF)Cc1ccc(cc1)F 1458a_100000210951_100015361967 [1,0,0,0,1,0|1,0,1]=4 285 B12R1.49 O=C(CO)Cc1ccc(cc1)F 1458a_100000210174_100000198546 [1,0,0,0,1,0|2,0,0]=4 286 B14R1.13 C=C(C#N)COCc1ccc(cc1)F 34a_100000210977_100000694840 [1,0,0,0,0,1|0,0,2]=4 287 B14R1.13 C=CC(=O)CCOc1ccc(cc1)F 1458a_100000185746_100000184936 [1,0,0,0,0,1|2,0,0]=4 288 B14R1.13 C=CC(C)COCc1ccc(cc1)F 34a_100011215527_100000198546 [1,0,0,0,0,1|1,0,1]=4 289 B14R1.13 C=CC(C)COCc1ccc(cc1)F 7a_100011215527_100000198546 [1,0,0,0,0,1|1,0,1]=4 290 B14R1.13 C=C[C@H](N)COCc1ccc(cc1)F 34a_100016989147_100000198546 [1,0,0,0,0,1|1,0,1]=4 291 B14R1.13 CC(CN)COCc1ccc(cc1)F 34a_100000744482_100000198546 [1,0,0,0,0,1|0,0,2]=4 292 B14R1.13 CCC(=O)CCOc1ccc(cc1)F 1458a_100000210414_100000184936 [1,0,0,0,0,1|2,0,0]=4 293 B14R1.13 CCC(=O)CCOc1ccc(cc1)F 1458a_100000737396_100000210202 [1,0,0,0,0,1|2,0,0]=4 294 B14R1.13 CCC(=O)COCc1ccc(cc1)F 34a_100000725409_100000198546 [1,0,0,0,0,1|2,0,0]=4 295 B14R1.13 CCC(=O)COCc1ccc(cc1)F 7a_100000210977_100000747405 [1,0,0,0,0,1|2,0,0]=4 296 B14R1.13 Cc1ccc(cc1)COC[C@H](F)CN 34a_100015665980_100000210814 [1,0,0,0,0,1|1,0,1]=4 297 B14R1.13 NC[C@@H](F)COCc1ccc(cc1)Br 34a_100015665980_100000189115 [1,0,0,0,0,1|0,1,1]=4 298 B14R1.13 NC[C@@H](F)COCc1ccc(cc1)Cl 34a_100015665980_100000694040 [1,0,0,0,0,1|0,1,1]=4 299 B14R1.13 NC[C@@H](F)COCc1ccc(cc1)F 34a_100015665980_100000198546 [1,0,0,0,0,1|0,0,1]=3 300 B14R1.13 NC[C@@H](F)COCc1ccc(cc1)I 34a_100015665980_100000189116 [1,0,0,0,0,1|0,1,1]=4 301 B14R1.13 NC[C@@H](F)COCc1ccc(cn1)F 34a_100015665980_100000703193 [1,0,0,0,0,1|1,0,1]=4 302 B14R1.13 NC[C@@H](F)COCc1ccc(nc1)F 34a_100015665980_100000099788 [1,0,0,0,0,1|1,0,1]=4 303 B14R1.13 O=C(CF)CCOc1ccc(cc1)F 1458a_100000737396_100015361967 [1,0,0,0,0,1|1,0,1]=4 304 B14R1.13 O=C(CO)CCOc1ccc(cc1)F 1458a_100000210174_100000184936 [1,0,0,0,0,1|2,0,0]=4