0 B11R1.222 CC(C#N)c1ccccc1O 271570a_203496583355_200010232107 [0,0,0,0,0,0|3,0,1]=4 1 B11R1.222 CC(N[13CH3])c1ccccc1Br 2230a_100000181357_200025704644 [0,0,0,0,0,0|3,0,1]=4 2 B11R1.222 CC(N[13CH3])c1ccccc1Cl 2230a_100000174978_200025704644 [0,0,0,0,0,0|3,0,1]=4 3 B11R1.222 CC(N[13CH3])c1ccccc1Cl 34a_100000174978_200025704644 [0,0,0,0,0,0|3,0,1]=4 4 B11R1.222 CC(N[13CH3])c1ccccc1F 2230a_100000181408_200025704644 [0,0,0,0,0,0|3,0,1]=4 5 B11R1.222 CC(N[13CH3])c1ccccc1F 34a_100000181408_200025704644 [0,0,0,0,0,0|3,0,1]=4 6 B11R1.222 CC(N[13CH3])c1cccnc1O 2230a_100159269580_200025704644 [0,0,0,0,0,0|3,0,1]=4 7 B11R1.222 CCC(=O)c1ccccc1Br 1458a_100000188424_100000210202 [0,0,0,0,0,0|3,0,0]=3 8 B11R1.222 CCC(=O)c1ccccc1C 1458a_100000212026_100000210202 [0,0,0,0,0,0|3,0,0]=3 9 B11R1.222 CCC(=O)c1ccccc1Cl 1458a_100000185844_100000210202 [0,0,0,0,0,0|3,0,0]=3 10 B11R1.222 CCC(=O)c1ccccc1F 1458a_100000188656_100000210202 [0,0,0,0,0,0|3,0,0]=3 11 B11R1.222 CCC(=O)c1ccccc1I 1458a_100000187884_100000210202 [0,0,0,0,0,0|3,0,0]=3 12 B11R1.222 CCC(=O)c1ccccc1O 1458a_100015234032_100000210202 [0,0,0,0,0,0|2,0,0]=2 13 B11R1.222 CCC(=O)c1ccccc1[O-] 1458a_100009911694_100000210202 [0,0,0,0,0,0|2,0,1]=3 14 B11R1.222 CCN(C)c1ccccc1O 269982a_100000033821_100000204670 [0,0,0,0,0,0|4,0,0]=4 15 B11R1.222 CCN(C)c1ccccc1O 269982a_103624766699_200000210301 [0,0,0,0,0,0|4,0,0]=4 16 B11R1.222 CCN([13CH3])c1ccccc1O 269982a_103624766699_200025704644 [0,0,0,0,0,0|4,0,0]=4 17 B11R1.222 CN(CF)c1ccccc1O 269982a_100000033821_100015361967 [0,0,0,0,0,0|4,0,0]=4 18 B11R1.222 CNC(=O)c1ccccc1Br 11a_106832991635_100000188424 [0,0,0,0,0,0|2,0,0]=2 19 B11R1.222 CNC(=O)c1ccccc1Br 1626a_100102657272_100000188424 [0,0,0,0,0,0|2,0,0]=2 20 B11R1.222 CNC(=O)c1ccccc1Br 240690a_100102657272_100000188424 [0,0,0,0,0,0|2,0,0]=2 21 B11R1.222 CNC(=O)c1ccccc1Br 527a_100102657272_100000188424 [0,0,0,0,0,0|2,0,0]=2 22 B11R1.222 CNC(=O)c1ccccc1C 11a_106832991635_100000212026 [0,0,0,0,0,0|2,0,0]=2 23 B11R1.222 CNC(=O)c1ccccc1C 1626a_100102657272_100000212026 [0,0,0,0,0,0|2,0,0]=2 24 B11R1.222 CNC(=O)c1ccccc1C 240690a_100102657272_100000212026 [0,0,0,0,0,0|2,0,0]=2 25 B11R1.222 CNC(=O)c1ccccc1C 527a_100102657272_100000212026 [0,0,0,0,0,0|2,0,0]=2 26 B11R1.222 CNC(=O)c1ccccc1Cl 11a_106832991635_100000185844 [0,0,0,0,0,0|2,0,0]=2 27 B11R1.222 CNC(=O)c1ccccc1Cl 1626a_100102657272_100000185844 [0,0,0,0,0,0|2,0,0]=2 28 B11R1.222 CNC(=O)c1ccccc1Cl 240690a_100102657272_100000185844 [0,0,0,0,0,0|2,0,0]=2 29 B11R1.222 CNC(=O)c1ccccc1Cl 527a_100102657272_100000185844 [0,0,0,0,0,0|2,0,0]=2 30 B11R1.222 CNC(=O)c1ccccc1F 11a_106832991635_100000188656 [0,0,0,0,0,0|2,0,0]=2 31 B11R1.222 CNC(=O)c1ccccc1F 1626a_100102657272_100000188656 [0,0,0,0,0,0|2,0,0]=2 32 B11R1.222 CNC(=O)c1ccccc1F 240690a_100102657272_100000188656 [0,0,0,0,0,0|2,0,0]=2 33 B11R1.222 CNC(=O)c1ccccc1F 527a_100102657272_100000188656 [0,0,0,0,0,0|2,0,0]=2 34 B11R1.222 CNC(=O)c1ccccc1I 11a_106832991635_100000187884 [0,0,0,0,0,0|2,0,0]=2 35 B11R1.222 CNC(=O)c1ccccc1I 1626a_100102657272_100000187884 [0,0,0,0,0,0|2,0,0]=2 36 B11R1.222 CNC(=O)c1ccccc1I 240690a_100102657272_100000187884 [0,0,0,0,0,0|2,0,0]=2 37 B11R1.222 CNC(=O)c1ccccc1I 527a_100102657272_100000187884 [0,0,0,0,0,0|2,0,0]=2 38 B11R1.222 CNC(=O)c1ccccc1O 240690a_100102657272_100015234032 [0,0,0,0,0,0|1,0,0]=1 39 B11R1.222 CNC(=O)c1ccccc1O 271570a_203496583355_100000155073 [0,0,0,0,0,0|1,0,0]=1 40 B11R1.222 CNC(=O)c1ccccc1[O-] 1626a_100102657272_100009911694 [0,0,0,0,0,0|1,0,1]=2 41 B11R1.222 CNC(=O)c1ccccc1[O-] 240690a_100102657272_100009911694 [0,0,0,0,0,0|1,0,1]=2 42 B11R1.222 CNC(=O)c1ccccc1[O-] 527a_100102657272_100009911694 [0,0,0,0,0,0|1,0,1]=2 43 B11R1.222 CNC(=O)c1cccnc1O 271570a_203496583355_100000159833 [0,0,0,0,0,0|2,0,0]=2 44 B11R1.222 CNC(C)c1ccccc1Br 2230a_100000181357_200000210301 [0,0,0,0,0,0|3,0,1]=4 45 B11R1.222 CNC(C)c1ccccc1Br 269862a_106832991636_100000187085 [0,0,0,0,0,0|3,0,1]=4 46 B11R1.222 CNC(C)c1ccccc1C 2230a_100000181355_200000210301 [0,0,0,0,0,0|3,0,1]=4 47 B11R1.222 CNC(C)c1ccccc1C 269862a_106832991636_100000211656 [0,0,0,0,0,0|3,0,1]=4 48 B11R1.222 CNC(C)c1ccccc1C 34a_100000181355_200000210301 [0,0,0,0,0,0|3,0,1]=4 49 B11R1.222 CNC(C)c1ccccc1Cl 2230a_100000174978_200000210301 [0,0,0,0,0,0|3,0,1]=4 50 B11R1.222 CNC(C)c1ccccc1Cl 2230a_106832991635_100000181259 [0,0,0,0,0,0|3,0,1]=4 51 B11R1.222 CNC(C)c1ccccc1Cl 269862a_106832991636_100000210134 [0,0,0,0,0,0|3,0,1]=4 52 B11R1.222 CNC(C)c1ccccc1Cl 34a_100000174978_200000210301 [0,0,0,0,0,0|3,0,1]=4 53 B11R1.222 CNC(C)c1ccccc1Cl 7a_106832991635_100000181259 [0,0,0,0,0,0|3,0,1]=4 54 B11R1.222 CNC(C)c1ccccc1F 2230a_100000181408_200000210301 [0,0,0,0,0,0|3,0,1]=4 55 B11R1.222 CNC(C)c1ccccc1F 2230a_106832991635_200000741388 [0,0,0,0,0,0|3,0,1]=4 56 B11R1.222 CNC(C)c1ccccc1F 269862a_106832991636_100000210632 [0,0,0,0,0,0|3,0,1]=4 57 B11R1.222 CNC(C)c1ccccc1F 34a_100000181408_200000210301 [0,0,0,0,0,0|3,0,1]=4 58 B11R1.222 CNC(C)c1ccccc1F 34a_100102657272_200000741388 [0,0,0,0,0,0|3,0,1]=4 59 B11R1.222 CNC(C)c1ccccc1F 7a_106832991635_200000741388 [0,0,0,0,0,0|3,0,1]=4 60 B11R1.222 CNC(C)c1ccccc1I 269862a_106832991636_100000751169 [0,0,0,0,0,0|3,0,1]=4 61 B11R1.222 CNC(C)c1ccccc1O 271570a_203496583355_100000692418 [0,0,0,0,0,0|2,0,1]=3 62 B11R1.222 CNC(C)c1cccnc1O 2230a_100159269580_200000210301 [0,0,0,0,0,0|3,0,1]=4 63 B11R1.222 CN[C@H](C)c1ccccc1O 2230a_100025703389_200000210301 [0,0,0,0,0,0|2,0,1]=3 64 B11R1.222 COC(=O)c1ccccc1O 271570a_203496583355_100000148710 [0,0,0,0,0,0|2,0,0]=2 65 B11R1.222 COC(=O)c1cccnc1O 271570a_203496583355_100000150852 [0,0,0,0,0,0|3,0,0]=3 66 B11R1.222 COC(=O)c1ccncc1O 271570a_203496583355_100010008606 [0,0,0,0,0,0|3,0,0]=3 67 B11R1.222 COC(=O)c1cnccc1O 271570a_203496583355_100020629055 [0,0,0,0,0,0|3,0,0]=3 68 B11R1.222 COC(=O)c1cncnc1O 271570a_203496583355_100000726419 [0,0,0,0,0,0|4,0,0]=4 69 B11R1.222 COC(=O)c1ncccc1O 271570a_203496583355_100011935214 [0,0,0,0,0,0|3,0,0]=3 70 B11R1.222 COC(=O)c1nccnc1O 271570a_203496583355_100000688410 [0,0,0,0,0,0|4,0,0]=4 71 B11R1.222 COC(=O)c1ncncc1O 271570a_203496583355_100012360100 [0,0,0,0,0,0|4,0,0]=4 72 B11R1.222 C[C@@H](N[13CH3])c1ccccc1O 2230a_100025703389_200025704644 [0,0,0,0,0,0|2,0,1]=3 73 B11R1.222 Cc1ccccc1C(=O)CF 1458a_100000212026_100015361967 [0,0,0,0,0,0|3,0,0]=3 74 B11R1.222 Cc1ccccc1C(C)N[13CH3] 2230a_100000181355_200025704644 [0,0,0,0,0,0|3,0,1]=4 75 B11R1.222 Cc1ccccc1C(C)N[13CH3] 34a_100000181355_200025704644 [0,0,0,0,0,0|3,0,1]=4 76 B11R1.222 NCC(O)c1ccccc1O 271570a_203496583355_100011236429 [0,0,0,0,0,0|2,0,2]=4 77 B11R1.222 NNC(=O)c1ccccc1O 271570a_203496583355_100000190081 [0,0,0,0,0,0|1,0,0]=1 78 B11R1.222 N[C@H](CO)c1ccccc1O 271570a_203496583355_100161155918 [0,0,0,0,0,0|2,0,1]=3 79 B11R1.222 O=C(CF)c1ccccc1Br 1458a_100000188424_100015361967 [0,0,0,0,0,0|3,0,0]=3 80 B11R1.222 O=C(CF)c1ccccc1Cl 1458a_100000185844_100015361967 [0,0,0,0,0,0|3,0,0]=3 81 B11R1.222 O=C(CF)c1ccccc1F 1458a_100000188656_100015361967 [0,0,0,0,0,0|3,0,0]=3 82 B11R1.222 O=C(CF)c1ccccc1I 1458a_100000187884_100015361967 [0,0,0,0,0,0|3,0,0]=3 83 B11R1.222 O=C(CF)c1ccccc1O 1458a_100015234032_100015361967 [0,0,0,0,0,0|2,0,0]=2 84 B11R1.222 O=C(CF)c1ccccc1[O-] 1458a_100009911694_100015361967 [0,0,0,0,0,0|2,0,1]=3 85 B10R1.4 C=C=Cc1ccccc1Br 271570a_100015277604_100000695589 [1,0,0,0,0,0|3,0,0]=4 86 B10R1.4 C=C=Cc1ccccc1C 271570a_100015277604_100000210755 [1,0,0,0,0,0|3,0,0]=4 87 B10R1.4 C=C=Cc1ccccc1Cl 271570a_100015277604_100000764095 [1,0,0,0,0,0|3,0,0]=4 88 B10R1.4 C=C=Cc1ccccc1F 271570a_100015277604_100011215700 [1,0,0,0,0,0|3,0,0]=4 89 B10R1.4 C=C=Cc1ccccc1N 271570a_100015277604_100000210017 [1,0,0,0,0,0|3,0,0]=4 90 B10R1.4 C=C=Cc1ccccc1O 271570a_100015277604_100000739446 [1,0,0,0,0,0|2,0,0]=3 91 B10R1.4 C=C=Cc1ccncc1O 271570a_100015277604_100009817591 [1,0,0,0,0,0|3,0,0]=4 92 B10R1.4 C=C=Cc1ncccc1O 271570a_100015277604_100000034122 [1,0,0,0,0,0|3,0,0]=4 93 B10R1.4 C=CCc1ccccc1O 271570a_203496583355_100009828059 [1,0,0,0,0,0|2,0,1]=4 94 B10R1.4 CC=Cc1ccccc1Br 271570a_100016259895_100000695589 [1,0,0,0,0,0|3,0,0]=4 95 B10R1.4 CC=Cc1ccccc1C 271570a_100016259895_100000210755 [1,0,0,0,0,0|3,0,0]=4 96 B10R1.4 CC=Cc1ccccc1Cl 271570a_100016259895_100000764095 [1,0,0,0,0,0|3,0,0]=4 97 B10R1.4 CC=Cc1ccccc1F 271570a_100016259895_100011215700 [1,0,0,0,0,0|3,0,0]=4 98 B10R1.4 CC=Cc1ccccc1N 271570a_100016259895_100000210017 [1,0,0,0,0,0|3,0,0]=4 99 B10R1.4 CC=Cc1ccccc1O 271570a_100016259895_100000739446 [1,0,0,0,0,0|2,0,0]=3 100 B10R1.4 CC=Cc1ccncc1O 271570a_100016259895_100009817591 [1,0,0,0,0,0|3,0,0]=4 101 B10R1.4 CC=Cc1ncccc1O 271570a_100016259895_100000034122 [1,0,0,0,0,0|3,0,0]=4 102 B10R1.4 CCNc1ccccc1O 271570a_203496583355_114873767003 [1,0,0,0,0,0|3,0,0]=4 103 B10R1.4 CCNc1ccccc1O 34a_100000185747_100000210202 [1,0,0,0,0,0|3,0,0]=4 104 B10R1.4 CCOc1ccccc1O 271570a_203496583355_100000230754 [1,0,0,0,0,0|3,0,0]=4 105 B10R1.4 CCSc1ccccc1O 271570a_203496583355_100000230856 [1,0,0,0,0,0|3,0,0]=4 106 B10R1.4 CCSc1ccccc1O 62a_100000210202_100000739446 [1,0,0,0,0,0|3,0,0]=4 107 B10R1.4 CCSc1ccccc1O 62a_100000739446_100000210202 [1,0,0,0,0,0|3,0,0]=4 108 B10R1.4 CNCc1ccccc1Br 207a_100102657272_100000211189 [1,0,0,0,0,0|2,0,1]=4 109 B10R1.4 CNCc1ccccc1Br 2230a_100000689332_200000210301 [1,0,0,0,0,0|2,0,1]=4 110 B10R1.4 CNCc1ccccc1Br 2230a_106832991635_100000184730 [1,0,0,0,0,0|2,0,1]=4 111 B10R1.4 CNCc1ccccc1Br 26a_100102657272_100000181306 [1,0,0,0,0,0|2,0,1]=4 112 B10R1.4 CNCc1ccccc1Br 270004a_106832991635_100000211189 [1,0,0,0,0,0|2,0,1]=4 113 B10R1.4 CNCc1ccccc1Br 34a_100000689332_200000210301 [1,0,0,0,0,0|2,0,1]=4 114 B10R1.4 CNCc1ccccc1Br 34a_100102657272_100000184730 [1,0,0,0,0,0|2,0,1]=4 115 B10R1.4 CNCc1ccccc1Br 7a_106832991635_100000184730 [1,0,0,0,0,0|2,0,1]=4 116 B10R1.4 CNCc1ccccc1C 207a_100102657272_100000211143 [1,0,0,0,0,0|2,0,1]=4 117 B10R1.4 CNCc1ccccc1C 2230a_106832991635_100000211839 [1,0,0,0,0,0|2,0,1]=4 118 B10R1.4 CNCc1ccccc1C 270004a_106832991635_100000211143 [1,0,0,0,0,0|2,0,1]=4 119 B10R1.4 CNCc1ccccc1C 34a_100000174972_200000210301 [1,0,0,0,0,0|2,0,1]=4 120 B10R1.4 CNCc1ccccc1C 34a_100102657272_100000211839 [1,0,0,0,0,0|2,0,1]=4 121 B10R1.4 CNCc1ccccc1C 7a_106832991635_100000211839 [1,0,0,0,0,0|2,0,1]=4 122 B10R1.4 CNCc1ccccc1Cl 207a_100102657272_100000210073 [1,0,0,0,0,0|2,0,1]=4 123 B10R1.4 CNCc1ccccc1Cl 2230a_100000174879_200000210301 [1,0,0,0,0,0|2,0,1]=4 124 B10R1.4 CNCc1ccccc1Cl 2230a_106832991635_100000187162 [1,0,0,0,0,0|2,0,1]=4 125 B10R1.4 CNCc1ccccc1Cl 26a_100102657272_100000210172 [1,0,0,0,0,0|2,0,1]=4 126 B10R1.4 CNCc1ccccc1Cl 270004a_106832991635_100000210073 [1,0,0,0,0,0|2,0,1]=4 127 B10R1.4 CNCc1ccccc1Cl 34a_100000174879_200000210301 [1,0,0,0,0,0|2,0,1]=4 128 B10R1.4 CNCc1ccccc1Cl 34a_100102657272_100000187162 [1,0,0,0,0,0|2,0,1]=4 129 B10R1.4 CNCc1ccccc1Cl 7a_106832991635_100000187162 [1,0,0,0,0,0|2,0,1]=4 130 B10R1.4 CNCc1ccccc1F 207a_100102657272_100000210811 [1,0,0,0,0,0|2,0,1]=4 131 B10R1.4 CNCc1ccccc1F 2230a_106832991635_100000211605 [1,0,0,0,0,0|2,0,1]=4 132 B10R1.4 CNCc1ccccc1F 270004a_106832991635_100000210811 [1,0,0,0,0,0|2,0,1]=4 133 B10R1.4 CNCc1ccccc1F 34a_100000174869_200000210301 [1,0,0,0,0,0|2,0,1]=4 134 B10R1.4 CNCc1ccccc1F 34a_100102657272_100000211605 [1,0,0,0,0,0|2,0,1]=4 135 B10R1.4 CNCc1ccccc1F 7a_106832991635_100000211605 [1,0,0,0,0,0|2,0,1]=4 136 B10R1.4 CNCc1ccccc1I 207a_100102657272_100000010305 [1,0,0,0,0,0|2,0,1]=4 137 B10R1.4 CNCc1ccccc1I 2230a_106832991635_100011215278 [1,0,0,0,0,0|2,0,1]=4 138 B10R1.4 CNCc1ccccc1I 270004a_106832991635_100000010305 [1,0,0,0,0,0|2,0,1]=4 139 B10R1.4 CNCc1ccccc1I 34a_100102657272_100011215278 [1,0,0,0,0,0|2,0,1]=4 140 B10R1.4 CNCc1ccccc1I 7a_106832991635_100011215278 [1,0,0,0,0,0|2,0,1]=4 141 B10R1.4 CNCc1ccccc1O 271570a_203496583355_100000184654 [1,0,0,0,0,0|1,0,1]=3 142 B10R1.4 CNCc1ccccc1O 34a_100000185550_200000210301 [1,0,0,0,0,0|1,0,1]=3 143 B10R1.4 CNCc1cccnc1O 207a_100102657272_100011998315 [1,0,0,0,0,0|2,0,1]=4 144 B10R1.4 CNCc1cccnc1O 270004a_106832991635_100011998315 [1,0,0,0,0,0|2,0,1]=4 145 B10R1.4 CNCc1cccnc1O 271570a_203496583355_103496529121 [1,0,0,0,0,0|2,0,1]=4 146 B10R1.4 CNCc1ncccc1O 34a_100102657272_200020655725 [1,0,0,0,0,0|2,0,1]=4 147 B10R1.4 CNCc1ncccc1O 7a_106832991635_200020655725 [1,0,0,0,0,0|2,0,1]=4 148 B10R1.4 COCc1ccccc1O 271570a_203496583355_100011493684 [1,0,0,0,0,0|2,0,1]=4 149 B10R1.4 CSCc1ccccc1O 271570a_203496583355_100000148299 [1,0,0,0,0,0|2,0,1]=4 150 B10R1.4 Cc1ccccc1CN[13CH3] 34a_100000174972_200025704644 [1,0,0,0,0,0|2,0,1]=4 151 B10R1.4 N#CCc1ccccc1O 271570a_203496583355_100000033512 [1,0,0,0,0,0|2,0,1]=4 152 B10R1.4 NCCc1ccccc1O 271570a_203496583355_100000747383 [1,0,0,0,0,0|2,0,1]=4 153 B10R1.4 NNCc1ccccc1O 271570a_203496583355_200016993956 [1,0,0,0,0,0|1,0,1]=3 154 B10R1.4 OCCc1ccccc1O 271570a_203496583355_100000731337 [1,0,0,0,0,0|1,0,1]=3 155 B10R1.4 Oc1ccccc1NCF 34a_100000185747_100015361967 [1,0,0,0,0,0|3,0,0]=4 156 B10R1.4 Oc1ccccc1SCF 62a_100000739446_100015361967 [1,0,0,0,0,0|3,0,0]=4 157 B10R1.4 Oc1ccccc1SCF 62a_100015361967_100000739446 [1,0,0,0,0,0|3,0,0]=4 158 B10R1.4 [13CH3]NCc1ccccc1Br 2230a_100000689332_200025704644 [1,0,0,0,0,0|2,0,1]=4 159 B10R1.4 [13CH3]NCc1ccccc1Br 34a_100000689332_200025704644 [1,0,0,0,0,0|2,0,1]=4 160 B10R1.4 [13CH3]NCc1ccccc1Cl 2230a_100000174879_200025704644 [1,0,0,0,0,0|2,0,1]=4 161 B10R1.4 [13CH3]NCc1ccccc1Cl 34a_100000174879_200025704644 [1,0,0,0,0,0|2,0,1]=4 162 B10R1.4 [13CH3]NCc1ccccc1F 34a_100000174869_200025704644 [1,0,0,0,0,0|2,0,1]=4 163 B10R1.4 [13CH3]NCc1ccccc1O 34a_100000185550_200025704644 [1,0,0,0,0,0|1,0,1]=3 164 B10R1.4 [N-]=[N+]=Nc1ccccc1O 271570a_203496583355_100000762926 [1,0,0,0,0,0|2,0,1]=4 165 B10R1.15 CCC(=O)c1ccccc1 1458a_100000185807_100000210202 [1,0,0,0,0,0|2,0,0]=3 166 B10R1.15 CNC(=O)c1ccccc1 11a_106832991635_100000185807 [1,0,0,0,0,0|1,0,0]=2 167 B10R1.15 CNC(=O)c1ccccc1 1626a_100102657272_100000185807 [1,0,0,0,0,0|1,0,0]=2 168 B10R1.15 CNC(=O)c1ccccc1 240690a_100102657272_100000185807 [1,0,0,0,0,0|1,0,0]=2 169 B10R1.15 CNC(=O)c1ccccc1 527a_100102657272_100000185807 [1,0,0,0,0,0|1,0,0]=2 170 B10R1.15 CNC(C)c1ccccc1 2230a_106832991635_100000230085 [1,0,0,0,0,0|2,0,1]=4 171 B10R1.15 CNC(C)c1ccccc1 269862a_106832991636_100000185851 [1,0,0,0,0,0|2,0,1]=4 172 B10R1.15 CNC(C)c1ccccc1 34a_100102657272_100000211855 [1,0,0,0,0,0|2,0,1]=4 173 B10R1.15 CNC(C)c1ccccc1 7a_106832991635_100000230085 [1,0,0,0,0,0|2,0,1]=4 174 B10R1.15 CN[C@H](C)c1ccccc1 2230a_100000751104_200000210301 [1,0,0,0,0,0|2,0,1]=4 175 B10R1.15 C[C@@H](N[13CH3])c1ccccc1 2230a_100000751104_200025704644 [1,0,0,0,0,0|2,0,1]=4 176 B10R1.15 O=C(CF)c1ccccc1 1458a_100000185807_100015361967 [1,0,0,0,0,0|2,0,0]=3 177 B10R1.61 C=C(C)c1ccccc1Br 271570a_100000694244_100000695589 [1,0,0,0,0,0|3,0,0]=4 178 B10R1.61 C=C(C)c1ccccc1C 271570a_100000694244_100000210755 [1,0,0,0,0,0|3,0,0]=4 179 B10R1.61 C=C(C)c1ccccc1Cl 271570a_100000694244_100000764095 [1,0,0,0,0,0|3,0,0]=4 180 B10R1.61 C=C(C)c1ccccc1F 271570a_100000694244_100011215700 [1,0,0,0,0,0|3,0,0]=4 181 B10R1.61 C=C(C)c1ccccc1N 271570a_100000694244_100000210017 [1,0,0,0,0,0|3,0,0]=4 182 B10R1.61 C=C(C)c1ccccc1O 271570a_100000694244_100000739446 [1,0,0,0,0,0|2,0,0]=3 183 B10R1.61 C=C(C)c1ccncc1O 271570a_100000694244_100009817591 [1,0,0,0,0,0|3,0,0]=4 184 B10R1.61 C=C(C)c1ncccc1O 271570a_100000694244_100000034122 [1,0,0,0,0,0|3,0,0]=4 185 B10R1.61 CC(=O)c1ccccc1Br 1458a_100000188424_200000210301 [1,0,0,0,0,0|2,0,0]=3 186 B10R1.61 CC(=O)c1ccccc1C 1458a_100000212026_200000210301 [1,0,0,0,0,0|2,0,0]=3 187 B10R1.61 CC(=O)c1ccccc1Cl 1458a_100000185844_200000210301 [1,0,0,0,0,0|2,0,0]=3 188 B10R1.61 CC(=O)c1ccccc1F 1458a_100000188656_200000210301 [1,0,0,0,0,0|2,0,0]=3 189 B10R1.61 CC(=O)c1ccccc1I 1458a_100000187884_200000210301 [1,0,0,0,0,0|2,0,0]=3 190 B10R1.61 CC(=O)c1ccccc1O 1458a_100015234032_200000210301 [1,0,0,0,0,0|1,0,0]=2 191 B10R1.61 CC(=O)c1ccccc1O 271570a_203496583355_100000751169 [1,0,0,0,0,0|1,0,0]=2 192 B10R1.61 CC(=O)c1ccccc1[O-] 1458a_100009911694_200000210301 [1,0,0,0,0,0|1,0,1]=3 193 B10R1.61 CC(=O)c1cccnc1O 271570a_203496583355_100000753718 [1,0,0,0,0,0|2,0,0]=3 194 B10R1.61 CC(=O)c1ccncc1O 271570a_203496583355_100009993184 [1,0,0,0,0,0|2,0,0]=3 195 B10R1.61 CC(=O)c1cnccc1O 271570a_203496583355_100160469449 [1,0,0,0,0,0|2,0,0]=3 196 B10R1.61 CC(=O)c1ncccc1O 271570a_203496583355_100012348690 [1,0,0,0,0,0|2,0,0]=3 197 B10R1.61 CC(=O)c1nccnc1O 271570a_203496583355_100000099859 [1,0,0,0,0,0|3,0,0]=4 198 B10R1.61 CC(C)c1ccccc1O 271570a_203496583355_100011218076 [1,0,0,0,0,0|2,0,1]=4 199 B10R1.61 CC(N)c1ccccc1O 271570a_203496583355_100000181357 [1,0,0,0,0,0|1,0,1]=3 200 B10R1.61 CC(N)c1ncccc1O 271570a_203496583355_100159271932 [1,0,0,0,0,0|2,0,1]=4 201 B10R1.61 CC(O)c1ccccc1O 271570a_203496583355_100000702211 [1,0,0,0,0,0|1,0,1]=3 202 B10R1.61 CC(O)c1cccnc1O 271570a_203496583355_100009865335 [1,0,0,0,0,0|2,0,1]=4 203 B10R1.61 CN(C)c1ccccc1O 269982a_100000033821_200000210301 [1,0,0,0,0,0|3,0,0]=4 204 B10R1.61 CN(C)c1ccccc1O 271570a_203496583355_100011290883 [1,0,0,0,0,0|3,0,0]=4 205 B10R1.61 CN([13CH3])c1ccccc1O 269982a_100000033821_200025704644 [1,0,0,0,0,0|3,0,0]=4 206 B10R1.61 CS(=O)c1ccccc1O 271570a_203496583355_100000734199 [1,0,0,0,0,0|2,0,0]=3 207 B10R1.61 C[C@H](O)c1ncccc1O 271570a_203496583355_100013325542 [1,0,0,0,0,0|2,0,1]=4 208 B10R1.61 Cc1ccccc1C(=O)[13CH3] 1458a_100000212026_200025704644 [1,0,0,0,0,0|2,0,0]=3 209 B10R1.61 NC(=O)c1ccccc1O 271570a_203496583355_100000162227 [1,0,0,0,0,0|0,0,0]=1 210 B10R1.61 NC(=O)c1cccnc1O 271570a_203496583355_100000162199 [1,0,0,0,0,0|1,0,0]=2 211 B10R1.61 NC(=O)c1ccncc1O 271570a_203496583355_100010205435 [1,0,0,0,0,0|1,0,0]=2 212 B10R1.61 NC(=O)c1cnccc1O 271570a_203496583355_100000697804 [1,0,0,0,0,0|1,0,0]=2 213 B10R1.61 NC(=O)c1ncccc1O 271570a_203496583355_200012359670 [1,0,0,0,0,0|1,0,0]=2 214 B10R1.61 NC(=O)c1nccnc1O 271570a_203496583355_100000094861 [1,0,0,0,0,0|2,0,0]=3 215 B10R1.61 OB(O)c1ccccc1O 271570a_203496583355_100000693059 [1,0,0,0,0,0|1,0,1]=3 216 B10R1.61 OB(O)c1cccnc1O 271570a_203496583355_100009815992 [1,0,0,0,0,0|2,0,1]=4 217 B10R1.61 OB(O)c1ccncc1O 271570a_203496583355_200010176179 [1,0,0,0,0,0|2,0,1]=4 218 B10R1.61 Oc1ccccc1C(F)F 271570a_203496583355_100010169824 [1,0,0,0,0,0|2,0,1]=4 219 B10R1.61 [13CH3]C(=O)c1ccccc1Br 1458a_100000188424_200025704644 [1,0,0,0,0,0|2,0,0]=3 220 B10R1.61 [13CH3]C(=O)c1ccccc1Cl 1458a_100000185844_200025704644 [1,0,0,0,0,0|2,0,0]=3 221 B10R1.61 [13CH3]C(=O)c1ccccc1F 1458a_100000188656_200025704644 [1,0,0,0,0,0|2,0,0]=3 222 B10R1.61 [13CH3]C(=O)c1ccccc1I 1458a_100000187884_200025704644 [1,0,0,0,0,0|2,0,0]=3 223 B10R1.61 [13CH3]C(=O)c1ccccc1O 1458a_100015234032_200025704644 [1,0,0,0,0,0|1,0,0]=2 224 B10R1.61 [13CH3]C(=O)c1ccccc1[O-] 1458a_100009911694_200025704644 [1,0,0,0,0,0|1,0,1]=3 225 B12R1.24 CCC(=O)c1cccc(c1Br)Br 1458a_100012360534_100000210202 [0,1,0,0,0,0|3,0,0]=4 226 B12R1.24 CCC(=O)c1cccc(c1Br)C 1458a_100000692419_100000210202 [0,1,0,0,0,0|3,0,0]=4 227 B12R1.24 CCC(=O)c1cccc(c1Br)Cl 1458a_100012339722_100000210202 [0,1,0,0,0,0|3,0,0]=4 228 B12R1.24 CCC(=O)c1cccc(c1Br)F 1458a_100011217547_100000210202 [0,1,0,0,0,0|3,0,0]=4 229 B12R1.24 CCC(=O)c1cccc(c1Br)I 1458a_100010232522_100000210202 [0,1,0,0,0,0|3,0,0]=4 230 B12R1.24 CCC(=O)c1cccc(c1Br)O 1458a_100010230362_100000210202 [0,1,0,0,0,0|3,0,0]=4 231 B12R1.24 CCC(=O)c1cccc(c1C)Br 1458a_100000760464_100000210202 [0,1,0,0,0,0|3,0,0]=4 232 B12R1.24 CCC(=O)c1cccc(c1C)C 1458a_100000183679_100000210202 [0,1,0,0,0,0|3,0,0]=4 233 B12R1.24 CCC(=O)c1cccc(c1C)Cl 1458a_100000690184_100000210202 [0,1,0,0,0,0|3,0,0]=4 234 B12R1.24 CCC(=O)c1cccc(c1C)F 1458a_100011218272_100000210202 [0,1,0,0,0,0|3,0,0]=4 235 B12R1.24 CCC(=O)c1cccc(c1C)I 1458a_100000751865_100000210202 [0,1,0,0,0,0|3,0,0]=4 236 B12R1.24 CCC(=O)c1cccc(c1C)O 1458a_100000766327_100000210202 [0,1,0,0,0,0|3,0,0]=4 237 B12R1.24 CCC(=O)c1cccc(c1Cl)Br 1458a_100000760540_100000210202 [0,1,0,0,0,0|3,0,0]=4 238 B12R1.24 CCC(=O)c1cccc(c1Cl)C 1458a_100000693142_100000210202 [0,1,0,0,0,0|3,0,0]=4 239 B12R1.24 CCC(=O)c1cccc(c1Cl)Cl 1458a_100000183631_100000210202 [0,1,0,0,0,0|3,0,0]=4 240 B12R1.24 CCC(=O)c1cccc(c1Cl)F 1458a_100000759904_100000210202 [0,1,0,0,0,0|3,0,0]=4 241 B12R1.24 CCC(=O)c1cccc(c1Cl)I 1458a_100010176783_100000210202 [0,1,0,0,0,0|3,0,0]=4 242 B12R1.24 CCC(=O)c1cccc(c1Cl)O 1458a_100000092362_100000210202 [0,1,0,0,0,0|3,0,0]=4 243 B12R1.24 CCC(=O)c1cccc(c1F)Br 1458a_100000756403_100000210202 [0,1,0,0,0,0|3,0,0]=4 244 B12R1.24 CCC(=O)c1cccc(c1F)C 1458a_100000766181_100000210202 [0,1,0,0,0,0|3,0,0]=4 245 B12R1.24 CCC(=O)c1cccc(c1F)Cl 1458a_100000688816_100000210202 [0,1,0,0,0,0|3,0,0]=4 246 B12R1.24 CCC(=O)c1cccc(c1F)F 1458a_100000748134_100000210202 [0,1,0,0,0,0|3,0,0]=4 247 B12R1.24 CCC(=O)c1cccc(c1F)I 1458a_100010185205_100000210202 [0,1,0,0,0,0|3,0,0]=4 248 B12R1.24 CCC(=O)c1cccc(c1F)O 1458a_100000037433_100000210202 [0,1,0,0,0,0|3,0,0]=4 249 B12R1.24 CCC(=O)c1cccc(c1I)Br 1458a_100000688019_100000210202 [0,1,0,0,0,0|3,0,0]=4 250 B12R1.24 CCC(=O)c1cccc(c1I)C 1458a_100000739377_100000210202 [0,1,0,0,0,0|3,0,0]=4 251 B12R1.24 CCC(=O)c1cccc(c1I)Cl 1458a_100010176784_100000210202 [0,1,0,0,0,0|3,0,0]=4 252 B12R1.24 CCC(=O)c1cccc(c1I)F 1458a_100000690930_100000210202 [0,1,0,0,0,0|3,0,0]=4 253 B12R1.24 CCC(=O)c1cccc(c1I)O 1458a_100010084636_100000210202 [0,1,0,0,0,0|3,0,0]=4 254 B12R1.24 CCC(=O)c1cccc(c1O)Br 1458a_100000752940_100000210202 [0,1,0,0,0,0|2,0,0]=3 255 B12R1.24 CCC(=O)c1cccc(c1O)C 1458a_100000183896_100000210202 [0,1,0,0,0,0|2,0,0]=3 256 B12R1.24 CCC(=O)c1cccc(c1O)Cl 1458a_100000742801_100000210202 [0,1,0,0,0,0|2,0,0]=3 257 B12R1.24 CCC(=O)c1cccc(c1O)F 1458a_100011217230_100000210202 [0,1,0,0,0,0|2,0,0]=3 258 B12R1.24 CCC(=O)c1cccc(c1O)O 1458a_100000690420_100000210202 [0,1,0,0,0,0|2,0,0]=3 259 B12R1.24 CNC(=O)c1cccc(c1Br)Br 11a_106832991635_100012360534 [0,1,0,0,0,0|2,0,0]=3 260 B12R1.24 CNC(=O)c1cccc(c1Br)Br 1626a_100102657272_100012360534 [0,1,0,0,0,0|2,0,0]=3 261 B12R1.24 CNC(=O)c1cccc(c1Br)Br 240690a_100102657272_100012360534 [0,1,0,0,0,0|2,0,0]=3 262 B12R1.24 CNC(=O)c1cccc(c1Br)Br 527a_100102657272_100012360534 [0,1,0,0,0,0|2,0,0]=3 263 B12R1.24 CNC(=O)c1cccc(c1Br)C 11a_106832991635_100000692419 [0,1,0,0,0,0|2,0,0]=3 264 B12R1.24 CNC(=O)c1cccc(c1Br)C 1626a_100102657272_100000692419 [0,1,0,0,0,0|2,0,0]=3 265 B12R1.24 CNC(=O)c1cccc(c1Br)C 240690a_100102657272_100000692419 [0,1,0,0,0,0|2,0,0]=3 266 B12R1.24 CNC(=O)c1cccc(c1Br)C 527a_100102657272_100000692419 [0,1,0,0,0,0|2,0,0]=3 267 B12R1.24 CNC(=O)c1cccc(c1Br)Cl 11a_106832991635_100012339722 [0,1,0,0,0,0|2,0,0]=3 268 B12R1.24 CNC(=O)c1cccc(c1Br)Cl 1626a_100102657272_100012339722 [0,1,0,0,0,0|2,0,0]=3 269 B12R1.24 CNC(=O)c1cccc(c1Br)Cl 240690a_100102657272_100012339722 [0,1,0,0,0,0|2,0,0]=3 270 B12R1.24 CNC(=O)c1cccc(c1Br)Cl 527a_100102657272_100012339722 [0,1,0,0,0,0|2,0,0]=3 271 B12R1.24 CNC(=O)c1cccc(c1Br)F 11a_106832991635_100011217547 [0,1,0,0,0,0|2,0,0]=3 272 B12R1.24 CNC(=O)c1cccc(c1Br)F 1626a_100102657272_100011217547 [0,1,0,0,0,0|2,0,0]=3 273 B12R1.24 CNC(=O)c1cccc(c1Br)F 240690a_100102657272_100011217547 [0,1,0,0,0,0|2,0,0]=3 274 B12R1.24 CNC(=O)c1cccc(c1Br)F 527a_100102657272_100011217547 [0,1,0,0,0,0|2,0,0]=3 275 B12R1.24 CNC(=O)c1cccc(c1Br)I 11a_106832991635_100010232522 [0,1,0,0,0,0|2,0,0]=3 276 B12R1.24 CNC(=O)c1cccc(c1Br)I 1626a_100102657272_100010232522 [0,1,0,0,0,0|2,0,0]=3 277 B12R1.24 CNC(=O)c1cccc(c1Br)I 240690a_100102657272_100010232522 [0,1,0,0,0,0|2,0,0]=3 278 B12R1.24 CNC(=O)c1cccc(c1Br)I 527a_100102657272_100010232522 [0,1,0,0,0,0|2,0,0]=3 279 B12R1.24 CNC(=O)c1cccc(c1Br)O 240690a_100102657272_100010230362 [0,1,0,0,0,0|2,0,0]=3 280 B12R1.24 CNC(=O)c1cccc(c1Br)O 527a_100102657272_100010230362 [0,1,0,0,0,0|2,0,0]=3 281 B12R1.24 CNC(=O)c1cccc(c1C)Br 11a_106832991635_100000760464 [0,1,0,0,0,0|2,0,0]=3 282 B12R1.24 CNC(=O)c1cccc(c1C)Br 1626a_100102657272_100000760464 [0,1,0,0,0,0|2,0,0]=3 283 B12R1.24 CNC(=O)c1cccc(c1C)Br 240690a_100102657272_100000760464 [0,1,0,0,0,0|2,0,0]=3 284 B12R1.24 CNC(=O)c1cccc(c1C)Br 527a_100102657272_100000760464 [0,1,0,0,0,0|2,0,0]=3 285 B12R1.24 CNC(=O)c1cccc(c1C)C 11a_106832991635_100000183679 [0,1,0,0,0,0|2,0,0]=3 286 B12R1.24 CNC(=O)c1cccc(c1C)C 1626a_100102657272_100000183679 [0,1,0,0,0,0|2,0,0]=3 287 B12R1.24 CNC(=O)c1cccc(c1C)C 240690a_100102657272_100000183679 [0,1,0,0,0,0|2,0,0]=3 288 B12R1.24 CNC(=O)c1cccc(c1C)C 527a_100102657272_100000183679 [0,1,0,0,0,0|2,0,0]=3 289 B12R1.24 CNC(=O)c1cccc(c1C)Cl 11a_106832991635_100000690184 [0,1,0,0,0,0|2,0,0]=3 290 B12R1.24 CNC(=O)c1cccc(c1C)Cl 1626a_100102657272_100000690184 [0,1,0,0,0,0|2,0,0]=3 291 B12R1.24 CNC(=O)c1cccc(c1C)Cl 240690a_100102657272_100000690184 [0,1,0,0,0,0|2,0,0]=3 292 B12R1.24 CNC(=O)c1cccc(c1C)Cl 527a_100102657272_100000690184 [0,1,0,0,0,0|2,0,0]=3 293 B12R1.24 CNC(=O)c1cccc(c1C)F 11a_106832991635_100011218272 [0,1,0,0,0,0|2,0,0]=3 294 B12R1.24 CNC(=O)c1cccc(c1C)F 1626a_100102657272_100011218272 [0,1,0,0,0,0|2,0,0]=3 295 B12R1.24 CNC(=O)c1cccc(c1C)F 240690a_100102657272_100011218272 [0,1,0,0,0,0|2,0,0]=3 296 B12R1.24 CNC(=O)c1cccc(c1C)F 527a_100102657272_100011218272 [0,1,0,0,0,0|2,0,0]=3 297 B12R1.24 CNC(=O)c1cccc(c1C)I 11a_106832991635_100000751865 [0,1,0,0,0,0|2,0,0]=3 298 B12R1.24 CNC(=O)c1cccc(c1C)I 1626a_100102657272_100000751865 [0,1,0,0,0,0|2,0,0]=3 299 B12R1.24 CNC(=O)c1cccc(c1C)I 240690a_100102657272_100000751865 [0,1,0,0,0,0|2,0,0]=3 300 B12R1.24 CNC(=O)c1cccc(c1C)I 527a_100102657272_100000751865 [0,1,0,0,0,0|2,0,0]=3 301 B12R1.24 CNC(=O)c1cccc(c1C)O 240690a_100102657272_100000766327 [0,1,0,0,0,0|2,0,0]=3 302 B12R1.24 CNC(=O)c1cccc(c1C)O 527a_100102657272_100000766327 [0,1,0,0,0,0|2,0,0]=3 303 B12R1.24 CNC(=O)c1cccc(c1Cl)Br 11a_106832991635_100000760540 [0,1,0,0,0,0|2,0,0]=3 304 B12R1.24 CNC(=O)c1cccc(c1Cl)Br 1626a_100102657272_100000760540 [0,1,0,0,0,0|2,0,0]=3 305 B12R1.24 CNC(=O)c1cccc(c1Cl)Br 240690a_100102657272_100000760540 [0,1,0,0,0,0|2,0,0]=3 306 B12R1.24 CNC(=O)c1cccc(c1Cl)Br 527a_100102657272_100000760540 [0,1,0,0,0,0|2,0,0]=3 307 B12R1.24 CNC(=O)c1cccc(c1Cl)C 11a_106832991635_100000693142 [0,1,0,0,0,0|2,0,0]=3 308 B12R1.24 CNC(=O)c1cccc(c1Cl)C 1626a_100102657272_100000693142 [0,1,0,0,0,0|2,0,0]=3 309 B12R1.24 CNC(=O)c1cccc(c1Cl)C 240690a_100102657272_100000693142 [0,1,0,0,0,0|2,0,0]=3 310 B12R1.24 CNC(=O)c1cccc(c1Cl)C 527a_100102657272_100000693142 [0,1,0,0,0,0|2,0,0]=3 311 B12R1.24 CNC(=O)c1cccc(c1Cl)Cl 11a_106832991635_100000183631 [0,1,0,0,0,0|2,0,0]=3 312 B12R1.24 CNC(=O)c1cccc(c1Cl)Cl 1626a_100102657272_100000183631 [0,1,0,0,0,0|2,0,0]=3 313 B12R1.24 CNC(=O)c1cccc(c1Cl)Cl 240690a_100102657272_100000183631 [0,1,0,0,0,0|2,0,0]=3 314 B12R1.24 CNC(=O)c1cccc(c1Cl)Cl 527a_100102657272_100000183631 [0,1,0,0,0,0|2,0,0]=3 315 B12R1.24 CNC(=O)c1cccc(c1Cl)F 11a_106832991635_100000759904 [0,1,0,0,0,0|2,0,0]=3 316 B12R1.24 CNC(=O)c1cccc(c1Cl)F 1626a_100102657272_100000759904 [0,1,0,0,0,0|2,0,0]=3 317 B12R1.24 CNC(=O)c1cccc(c1Cl)F 240690a_100102657272_100000759904 [0,1,0,0,0,0|2,0,0]=3 318 B12R1.24 CNC(=O)c1cccc(c1Cl)F 527a_100102657272_100000759904 [0,1,0,0,0,0|2,0,0]=3 319 B12R1.24 CNC(=O)c1cccc(c1Cl)I 11a_106832991635_100010176783 [0,1,0,0,0,0|2,0,0]=3 320 B12R1.24 CNC(=O)c1cccc(c1Cl)I 1626a_100102657272_100010176783 [0,1,0,0,0,0|2,0,0]=3 321 B12R1.24 CNC(=O)c1cccc(c1Cl)I 240690a_100102657272_100010176783 [0,1,0,0,0,0|2,0,0]=3 322 B12R1.24 CNC(=O)c1cccc(c1Cl)I 527a_100102657272_100010176783 [0,1,0,0,0,0|2,0,0]=3 323 B12R1.24 CNC(=O)c1cccc(c1Cl)O 240690a_100102657272_100000092362 [0,1,0,0,0,0|2,0,0]=3 324 B12R1.24 CNC(=O)c1cccc(c1Cl)O 527a_100102657272_100000092362 [0,1,0,0,0,0|2,0,0]=3 325 B12R1.24 CNC(=O)c1cccc(c1F)Br 11a_106832991635_100000756403 [0,1,0,0,0,0|2,0,0]=3 326 B12R1.24 CNC(=O)c1cccc(c1F)Br 1626a_100102657272_100000756403 [0,1,0,0,0,0|2,0,0]=3 327 B12R1.24 CNC(=O)c1cccc(c1F)Br 240690a_100102657272_100000756403 [0,1,0,0,0,0|2,0,0]=3 328 B12R1.24 CNC(=O)c1cccc(c1F)Br 527a_100102657272_100000756403 [0,1,0,0,0,0|2,0,0]=3 329 B12R1.24 CNC(=O)c1cccc(c1F)C 11a_106832991635_100000766181 [0,1,0,0,0,0|2,0,0]=3 330 B12R1.24 CNC(=O)c1cccc(c1F)C 1626a_100102657272_100000766181 [0,1,0,0,0,0|2,0,0]=3 331 B12R1.24 CNC(=O)c1cccc(c1F)C 240690a_100102657272_100000766181 [0,1,0,0,0,0|2,0,0]=3 332 B12R1.24 CNC(=O)c1cccc(c1F)C 527a_100102657272_100000766181 [0,1,0,0,0,0|2,0,0]=3 333 B12R1.24 CNC(=O)c1cccc(c1F)Cl 11a_106832991635_100000688816 [0,1,0,0,0,0|2,0,0]=3 334 B12R1.24 CNC(=O)c1cccc(c1F)Cl 1626a_100102657272_100000688816 [0,1,0,0,0,0|2,0,0]=3 335 B12R1.24 CNC(=O)c1cccc(c1F)Cl 240690a_100102657272_100000688816 [0,1,0,0,0,0|2,0,0]=3 336 B12R1.24 CNC(=O)c1cccc(c1F)Cl 527a_100102657272_100000688816 [0,1,0,0,0,0|2,0,0]=3 337 B12R1.24 CNC(=O)c1cccc(c1F)F 11a_106832991635_100000748134 [0,1,0,0,0,0|2,0,0]=3 338 B12R1.24 CNC(=O)c1cccc(c1F)F 1626a_100102657272_100000748134 [0,1,0,0,0,0|2,0,0]=3 339 B12R1.24 CNC(=O)c1cccc(c1F)F 240690a_100102657272_100000748134 [0,1,0,0,0,0|2,0,0]=3 340 B12R1.24 CNC(=O)c1cccc(c1F)F 527a_100102657272_100000748134 [0,1,0,0,0,0|2,0,0]=3 341 B12R1.24 CNC(=O)c1cccc(c1F)I 11a_106832991635_100010185205 [0,1,0,0,0,0|2,0,0]=3 342 B12R1.24 CNC(=O)c1cccc(c1F)I 1626a_100102657272_100010185205 [0,1,0,0,0,0|2,0,0]=3 343 B12R1.24 CNC(=O)c1cccc(c1F)I 240690a_100102657272_100010185205 [0,1,0,0,0,0|2,0,0]=3 344 B12R1.24 CNC(=O)c1cccc(c1F)I 527a_100102657272_100010185205 [0,1,0,0,0,0|2,0,0]=3 345 B12R1.24 CNC(=O)c1cccc(c1F)O 240690a_100102657272_100000037433 [0,1,0,0,0,0|2,0,0]=3 346 B12R1.24 CNC(=O)c1cccc(c1F)O 527a_100102657272_100000037433 [0,1,0,0,0,0|2,0,0]=3 347 B12R1.24 CNC(=O)c1cccc(c1I)Br 11a_106832991635_100000688019 [0,1,0,0,0,0|2,0,0]=3 348 B12R1.24 CNC(=O)c1cccc(c1I)Br 1626a_100102657272_100000688019 [0,1,0,0,0,0|2,0,0]=3 349 B12R1.24 CNC(=O)c1cccc(c1I)Br 240690a_100102657272_100000688019 [0,1,0,0,0,0|2,0,0]=3 350 B12R1.24 CNC(=O)c1cccc(c1I)Br 527a_100102657272_100000688019 [0,1,0,0,0,0|2,0,0]=3 351 B12R1.24 CNC(=O)c1cccc(c1I)C 11a_106832991635_100000739377 [0,1,0,0,0,0|2,0,0]=3 352 B12R1.24 CNC(=O)c1cccc(c1I)C 1626a_100102657272_100000739377 [0,1,0,0,0,0|2,0,0]=3 353 B12R1.24 CNC(=O)c1cccc(c1I)C 240690a_100102657272_100000739377 [0,1,0,0,0,0|2,0,0]=3 354 B12R1.24 CNC(=O)c1cccc(c1I)C 527a_100102657272_100000739377 [0,1,0,0,0,0|2,0,0]=3 355 B12R1.24 CNC(=O)c1cccc(c1I)Cl 11a_106832991635_100010176784 [0,1,0,0,0,0|2,0,0]=3 356 B12R1.24 CNC(=O)c1cccc(c1I)Cl 1626a_100102657272_100010176784 [0,1,0,0,0,0|2,0,0]=3 357 B12R1.24 CNC(=O)c1cccc(c1I)Cl 240690a_100102657272_100010176784 [0,1,0,0,0,0|2,0,0]=3 358 B12R1.24 CNC(=O)c1cccc(c1I)Cl 527a_100102657272_100010176784 [0,1,0,0,0,0|2,0,0]=3 359 B12R1.24 CNC(=O)c1cccc(c1I)F 11a_106832991635_100000690930 [0,1,0,0,0,0|2,0,0]=3 360 B12R1.24 CNC(=O)c1cccc(c1I)F 1626a_100102657272_100000690930 [0,1,0,0,0,0|2,0,0]=3 361 B12R1.24 CNC(=O)c1cccc(c1I)F 240690a_100102657272_100000690930 [0,1,0,0,0,0|2,0,0]=3 362 B12R1.24 CNC(=O)c1cccc(c1I)F 527a_100102657272_100000690930 [0,1,0,0,0,0|2,0,0]=3 363 B12R1.24 CNC(=O)c1cccc(c1I)O 527a_100102657272_100010084636 [0,1,0,0,0,0|2,0,0]=3 364 B12R1.24 CNC(=O)c1cccc(c1O)Br 240690a_100102657272_100000752940 [0,1,0,0,0,0|1,0,0]=2 365 B12R1.24 CNC(=O)c1cccc(c1O)Br 527a_100102657272_100000752940 [0,1,0,0,0,0|1,0,0]=2 366 B12R1.24 CNC(=O)c1cccc(c1O)C 240690a_100102657272_100000183896 [0,1,0,0,0,0|1,0,0]=2 367 B12R1.24 CNC(=O)c1cccc(c1O)C 527a_100102657272_100000183896 [0,1,0,0,0,0|1,0,0]=2 368 B12R1.24 CNC(=O)c1cccc(c1O)Cl 240690a_100102657272_100000742801 [0,1,0,0,0,0|1,0,0]=2 369 B12R1.24 CNC(=O)c1cccc(c1O)Cl 527a_100102657272_100000742801 [0,1,0,0,0,0|1,0,0]=2 370 B12R1.24 CNC(=O)c1cccc(c1O)F 240690a_100102657272_100011217230 [0,1,0,0,0,0|1,0,0]=2 371 B12R1.24 CNC(=O)c1cccc(c1O)F 527a_100102657272_100011217230 [0,1,0,0,0,0|1,0,0]=2 372 B12R1.24 CNC(=O)c1cccc(c1O)O 527a_100102657272_100000690420 [0,1,0,0,0,0|1,0,0]=2 373 B12R1.24 CNC(C)c1cccc(c1O)Br 269862a_106832991636_100009815558 [0,1,0,0,0,0|2,0,1]=4 374 B12R1.24 CNC(C)c1cccc(c1O)C 269862a_106832991636_100009847209 [0,1,0,0,0,0|2,0,1]=4 375 B12R1.24 CNC(C)c1cccc(c1O)Cl 269862a_106832991636_100000043392 [0,1,0,0,0,0|2,0,1]=4 376 B12R1.24 CNC(C)c1cccc(c1O)F 269862a_106832991636_100011246037 [0,1,0,0,0,0|2,0,1]=4 377 B12R1.24 COC(=O)c1cccc(c1Br)O 271570a_203496583355_100010240208 [0,1,0,0,0,0|3,0,0]=4 378 B12R1.24 COC(=O)c1cccc(c1C)O 271570a_203496583355_100012298220 [0,1,0,0,0,0|3,0,0]=4 379 B12R1.24 COC(=O)c1cccc(c1F)O 271570a_203496583355_100012355674 [0,1,0,0,0,0|3,0,0]=4 380 B12R1.24 COC(=O)c1cccc(c1N)O 271570a_203496583355_100011356556 [0,1,0,0,0,0|3,0,0]=4 381 B12R1.24 COC(=O)c1cccc(c1O)Br 271570a_203496583355_100010150843 [0,1,0,0,0,0|2,0,0]=3 382 B12R1.24 COC(=O)c1cccc(c1O)C 271570a_203496583355_100012002529 [0,1,0,0,0,0|2,0,0]=3 383 B12R1.24 COC(=O)c1cccc(c1O)F 271570a_203496583355_100012357630 [0,1,0,0,0,0|2,0,0]=3 384 B12R1.24 COC(=O)c1cccc(c1O)N 271570a_203496583355_100000719424 [0,1,0,0,0,0|2,0,0]=3 385 B12R1.24 COC(=O)c1cccc(c1O)O 271570a_203496583355_100009816214 [0,1,0,0,0,0|2,0,0]=3 386 B12R1.24 COC(=O)c1cccc(c1O)O 271570a_203496583355_200010230364 [0,1,0,0,0,0|2,0,0]=3 387 B12R1.24 Cc1c(cccc1C(=O)CF)Br 1458a_100000760464_100015361967 [0,1,0,0,0,0|3,0,0]=4 388 B12R1.24 Cc1c(cccc1C(=O)CF)Cl 1458a_100000690184_100015361967 [0,1,0,0,0,0|3,0,0]=4 389 B12R1.24 Cc1c(cccc1C(=O)CF)F 1458a_100011218272_100015361967 [0,1,0,0,0,0|3,0,0]=4 390 B12R1.24 Cc1c(cccc1C(=O)CF)I 1458a_100000751865_100015361967 [0,1,0,0,0,0|3,0,0]=4 391 B12R1.24 Cc1c(cccc1C(=O)CF)O 1458a_100000766327_100015361967 [0,1,0,0,0,0|3,0,0]=4 392 B12R1.24 Cc1c(cccc1C(=O)NN)O 271570a_203496583355_200012298103 [0,1,0,0,0,0|2,0,0]=3 393 B12R1.24 Cc1cccc(c1Br)C(=O)CF 1458a_100000692419_100015361967 [0,1,0,0,0,0|3,0,0]=4 394 B12R1.24 Cc1cccc(c1C)C(=O)CF 1458a_100000183679_100015361967 [0,1,0,0,0,0|3,0,0]=4 395 B12R1.24 Cc1cccc(c1Cl)C(=O)CF 1458a_100000693142_100015361967 [0,1,0,0,0,0|3,0,0]=4 396 B12R1.24 Cc1cccc(c1F)C(=O)CF 1458a_100000766181_100015361967 [0,1,0,0,0,0|3,0,0]=4 397 B12R1.24 Cc1cccc(c1I)C(=O)CF 1458a_100000739377_100015361967 [0,1,0,0,0,0|3,0,0]=4 398 B12R1.24 Cc1cccc(c1O)C(=O)CF 1458a_100000183896_100015361967 [0,1,0,0,0,0|2,0,0]=3 399 B12R1.24 O=C(CF)c1cccc(c1Br)Br 1458a_100012360534_100015361967 [0,1,0,0,0,0|3,0,0]=4 400 B12R1.24 O=C(CF)c1cccc(c1Br)Cl 1458a_100012339722_100015361967 [0,1,0,0,0,0|3,0,0]=4 401 B12R1.24 O=C(CF)c1cccc(c1Br)F 1458a_100011217547_100015361967 [0,1,0,0,0,0|3,0,0]=4 402 B12R1.24 O=C(CF)c1cccc(c1Br)I 1458a_100010232522_100015361967 [0,1,0,0,0,0|3,0,0]=4 403 B12R1.24 O=C(CF)c1cccc(c1Br)O 1458a_100010230362_100015361967 [0,1,0,0,0,0|3,0,0]=4 404 B12R1.24 O=C(CF)c1cccc(c1Cl)Br 1458a_100000760540_100015361967 [0,1,0,0,0,0|3,0,0]=4 405 B12R1.24 O=C(CF)c1cccc(c1Cl)Cl 1458a_100000183631_100015361967 [0,1,0,0,0,0|3,0,0]=4 406 B12R1.24 O=C(CF)c1cccc(c1Cl)F 1458a_100000759904_100015361967 [0,1,0,0,0,0|3,0,0]=4 407 B12R1.24 O=C(CF)c1cccc(c1Cl)I 1458a_100010176783_100015361967 [0,1,0,0,0,0|3,0,0]=4 408 B12R1.24 O=C(CF)c1cccc(c1Cl)O 1458a_100000092362_100015361967 [0,1,0,0,0,0|3,0,0]=4 409 B12R1.24 O=C(CF)c1cccc(c1F)Br 1458a_100000756403_100015361967 [0,1,0,0,0,0|3,0,0]=4 410 B12R1.24 O=C(CF)c1cccc(c1F)Cl 1458a_100000688816_100015361967 [0,1,0,0,0,0|3,0,0]=4 411 B12R1.24 O=C(CF)c1cccc(c1F)F 1458a_100000748134_100015361967 [0,1,0,0,0,0|3,0,0]=4 412 B12R1.24 O=C(CF)c1cccc(c1F)I 1458a_100010185205_100015361967 [0,1,0,0,0,0|3,0,0]=4 413 B12R1.24 O=C(CF)c1cccc(c1F)O 1458a_100000037433_100015361967 [0,1,0,0,0,0|3,0,0]=4 414 B12R1.24 O=C(CF)c1cccc(c1I)Br 1458a_100000688019_100015361967 [0,1,0,0,0,0|3,0,0]=4 415 B12R1.24 O=C(CF)c1cccc(c1I)Cl 1458a_100010176784_100015361967 [0,1,0,0,0,0|3,0,0]=4 416 B12R1.24 O=C(CF)c1cccc(c1I)F 1458a_100000690930_100015361967 [0,1,0,0,0,0|3,0,0]=4 417 B12R1.24 O=C(CF)c1cccc(c1I)O 1458a_100010084636_100015361967 [0,1,0,0,0,0|3,0,0]=4 418 B12R1.24 O=C(CF)c1cccc(c1O)Br 1458a_100000752940_100015361967 [0,1,0,0,0,0|2,0,0]=3 419 B12R1.24 O=C(CF)c1cccc(c1O)Cl 1458a_100000742801_100015361967 [0,1,0,0,0,0|2,0,0]=3 420 B12R1.24 O=C(CF)c1cccc(c1O)F 1458a_100011217230_100015361967 [0,1,0,0,0,0|2,0,0]=3 421 B12R1.24 O=C(CF)c1cccc(c1O)O 1458a_100000690420_100015361967 [0,1,0,0,0,0|2,0,0]=3 422 B12R1.77 C#Cc1ccccc1C(=O)CC 1458a_100011243808_100000210202 [0,1,0,0,0,0|3,0,0]=4 423 B12R1.77 C#Cc1ccccc1C(=O)CF 1458a_100011243808_100015361967 [0,1,0,0,0,0|3,0,0]=4 424 B12R1.77 C#Cc1ccccc1C(=O)NC 527a_100102657272_100011243808 [0,1,0,0,0,0|2,0,0]=3 425 B12R1.77 C=Cc1ccccc1C(=O)CC 1458a_100011830265_100000210202 [0,1,0,0,0,0|3,0,0]=4 426 B12R1.77 C=Cc1ccccc1C(=O)CF 1458a_100011830265_100015361967 [0,1,0,0,0,0|3,0,0]=4 427 B12R1.77 C=Cc1ccccc1C(=O)NC 1626a_100102657272_100011830265 [0,1,0,0,0,0|2,0,0]=3 428 B12R1.77 C=Cc1ccccc1C(=O)NC 271570a_100011290941_100000155073 [0,1,0,0,0,0|2,0,0]=3 429 B12R1.77 C=Cc1ccccc1C(=O)NN 271570a_100011290941_100000190081 [0,1,0,0,0,0|2,0,0]=3 430 B12R1.77 C=Cc1ccccc1C(=O)OC 271570a_100011290941_100000148710 [0,1,0,0,0,0|3,0,0]=4 431 B12R1.77 C=Cc1ncccc1C(=O)NC 271570a_100011290941_100000159833 [0,1,0,0,0,0|3,0,0]=4 432 B12R1.77 CC(=NO)c1ccccc1O[13CH3] 34a_100000164216_200025704644 [0,1,0,0,0,0|1,0,1]=3 433 B12R1.77 CCC(=O)c1ccccc1C#N 1458a_100000742908_100000210202 [0,1,0,0,0,0|3,0,0]=4 434 B12R1.77 CCC(=O)c1ccccc1CC 1458a_100000689120_100000210202 [0,1,0,0,0,0|3,0,0]=4 435 B12R1.77 CCC(=O)c1ccccc1CO 1458a_100011301526_100000210202 [0,1,0,0,0,0|2,0,0]=3 436 B12R1.77 CCC(=O)c1ccccc1I=O 1458a_100000032414_100000210202 [0,1,0,0,0,0|2,0,1]=4 437 B12R1.77 CCC(=O)c1ccccc1OC 1458a_100000185835_100000210202 [0,1,0,0,0,0|2,0,0]=3 438 B12R1.77 CCC(=O)c1ccccc1OC 7a_100000184720_200000210301 [0,1,0,0,0,0|2,0,0]=3 439 B12R1.77 CCC(=O)c1ccccc1O[13CH3] 7a_100000184720_200025704644 [0,1,0,0,0,0|2,0,0]=3 440 B12R1.77 CCC(=O)c1ccccc1SC 1458a_100000183967_100000210202 [0,1,0,0,0,0|2,1,0]=4 441 B12R1.77 CCc1ccccc1C(=O)CF 1458a_100000689120_100015361967 [0,1,0,0,0,0|3,0,0]=4 442 B12R1.77 CCc1ccccc1C(=O)NC 11a_106832991635_100000689120 [0,1,0,0,0,0|2,0,0]=3 443 B12R1.77 CCc1ccccc1C(=O)NC 1626a_100102657272_100000689120 [0,1,0,0,0,0|2,0,0]=3 444 B12R1.77 CCc1ccccc1C(=O)NC 240690a_100102657272_100000689120 [0,1,0,0,0,0|2,0,0]=3 445 B12R1.77 CCc1ccccc1C(=O)NC 527a_100102657272_100000689120 [0,1,0,0,0,0|2,0,0]=3 446 B12R1.77 CNC(=O)c1ccccc1C#N 11a_106832991635_100000742908 [0,1,0,0,0,0|2,0,0]=3 447 B12R1.77 CNC(=O)c1ccccc1C#N 1626a_100102657272_100000742908 [0,1,0,0,0,0|2,0,0]=3 448 B12R1.77 CNC(=O)c1ccccc1C#N 527a_100102657272_100000742908 [0,1,0,0,0,0|2,0,0]=3 449 B12R1.77 CNC(=O)c1ccccc1I=O 1626a_100102657272_100000032414 [0,1,0,0,0,0|1,0,1]=3 450 B12R1.77 CNC(=O)c1ccccc1I=O 240690a_100102657272_100000032414 [0,1,0,0,0,0|1,0,1]=3 451 B12R1.77 CNC(=O)c1ccccc1I=O 527a_100102657272_100000032414 [0,1,0,0,0,0|1,0,1]=3 452 B12R1.77 CNC(=O)c1ccccc1NC 27a_100102657272_100000155073 [0,1,0,0,0,0|2,0,0]=3 453 B12R1.77 CNC(=O)c1ccccc1NC 34a_100000185696_200000210301 [0,1,0,0,0,0|2,0,0]=3 454 B12R1.77 CNC(=O)c1ccccc1N[13CH3] 34a_100000185696_200025704644 [0,1,0,0,0,0|2,0,0]=3 455 B12R1.77 CNC(=O)c1ccccc1OC 11a_106832991635_100000185835 [0,1,0,0,0,0|1,0,0]=2 456 B12R1.77 CNC(=O)c1ccccc1OC 1626a_100102657272_100000185835 [0,1,0,0,0,0|1,0,0]=2 457 B12R1.77 CNC(=O)c1ccccc1OC 240690a_100102657272_100000185835 [0,1,0,0,0,0|1,0,0]=2 458 B12R1.77 CNC(=O)c1ccccc1OC 34a_100000185920_200000210301 [0,1,0,0,0,0|1,0,0]=2 459 B12R1.77 CNC(=O)c1ccccc1OC 527a_100102657272_100000185835 [0,1,0,0,0,0|1,0,0]=2 460 B12R1.77 CNC(=O)c1ccccc1OC 7a_100000185920_200000210301 [0,1,0,0,0,0|1,0,0]=2 461 B12R1.77 CNC(=O)c1ccccc1O[13CH3] 34a_100000185920_200025704644 [0,1,0,0,0,0|1,0,0]=2 462 B12R1.77 CNC(=O)c1ccccc1O[13CH3] 7a_100000185920_200025704644 [0,1,0,0,0,0|1,0,0]=2 463 B12R1.77 CNC(=O)c1ccccc1SC 11a_106832991635_100000183967 [0,1,0,0,0,0|1,1,0]=3 464 B12R1.77 CNC(=O)c1ccccc1SC 1626a_100102657272_100000183967 [0,1,0,0,0,0|1,1,0]=3 465 B12R1.77 CNC(=O)c1ccccc1SC 240690a_100102657272_100000183967 [0,1,0,0,0,0|1,1,0]=3 466 B12R1.77 CNC(=O)c1ccccc1SC 527a_100102657272_100000183967 [0,1,0,0,0,0|1,1,0]=3 467 B12R1.77 CNC(=O)c1ccccc1SC 62a_100000155073_200000210301 [0,1,0,0,0,0|1,1,0]=3 468 B12R1.77 CNC(=O)c1ccccc1SC 62a_200000210301_100000155073 [0,1,0,0,0,0|1,1,0]=3 469 B12R1.77 CNC(=O)c1ccccc1S[13CH3] 62a_100000155073_200025704644 [0,1,0,0,0,0|1,1,0]=3 470 B12R1.77 CNC(=O)c1ccccc1S[13CH3] 62a_200025704644_100000155073 [0,1,0,0,0,0|1,1,0]=3 471 B12R1.77 CNC(=O)c1cccnc1NC 27a_100102657272_100000159833 [0,1,0,0,0,0|3,0,0]=4 472 B12R1.77 CNC(=O)c1cccnc1SC 62a_100000159833_200000210301 [0,1,0,0,0,0|2,1,0]=4 473 B12R1.77 CNC(=O)c1cccnc1SC 62a_200000210301_100000159833 [0,1,0,0,0,0|2,1,0]=4 474 B12R1.77 CNC(=O)c1cccnc1S[13CH3] 62a_100000159833_200025704644 [0,1,0,0,0,0|2,1,0]=4 475 B12R1.77 CNC(=O)c1cccnc1S[13CH3] 62a_200025704644_100000159833 [0,1,0,0,0,0|2,1,0]=4 476 B12R1.77 CNC(=O)c1ncccc1OC 34a_100011376092_200000210301 [0,1,0,0,0,0|2,0,0]=3 477 B12R1.77 CNC(=O)c1ncccc1OC 7a_100011376092_200000210301 [0,1,0,0,0,0|2,0,0]=3 478 B12R1.77 CNC(=O)c1ncccc1O[13CH3] 34a_100011376092_200025704644 [0,1,0,0,0,0|2,0,0]=3 479 B12R1.77 CNC(=O)c1ncccc1O[13CH3] 7a_100011376092_200025704644 [0,1,0,0,0,0|2,0,0]=3 480 B12R1.77 CNC(C)c1ccccc1OC 2230a_100000185323_200000210301 [0,1,0,0,0,0|2,0,1]=4 481 B12R1.77 CNC(C)c1ccccc1OC 269862a_106832991636_100000173324 [0,1,0,0,0,0|2,0,1]=4 482 B12R1.77 COC(=O)c1ccccc1OC 7a_100000150335_200000210301 [0,1,0,0,0,0|2,0,0]=3 483 B12R1.77 COC(=O)c1ccccc1O[13CH3] 7a_100000150335_200025704644 [0,1,0,0,0,0|2,0,0]=3 484 B12R1.77 COC(=O)c1ccccc1SC 62a_100000148710_200000210301 [0,1,0,0,0,0|2,1,0]=4 485 B12R1.77 COC(=O)c1ccccc1SC 62a_200000210301_100000148710 [0,1,0,0,0,0|2,1,0]=4 486 B12R1.77 COC(=O)c1ccccc1S[13CH3] 62a_100000148710_200025704644 [0,1,0,0,0,0|2,1,0]=4 487 B12R1.77 COC(=O)c1ccccc1S[13CH3] 62a_200025704644_100000148710 [0,1,0,0,0,0|2,1,0]=4 488 B12R1.77 COC(=O)c1ncccc1OC 34a_100000744052_200000210301 [0,1,0,0,0,0|3,0,0]=4 489 B12R1.77 COC(=O)c1ncccc1OC 7a_100000744052_200000210301 [0,1,0,0,0,0|3,0,0]=4 490 B12R1.77 COC(=O)c1ncccc1O[13CH3] 34a_100000744052_200025704644 [0,1,0,0,0,0|3,0,0]=4 491 B12R1.77 COC(=O)c1ncccc1O[13CH3] 7a_100000744052_200025704644 [0,1,0,0,0,0|3,0,0]=4 492 B12R1.77 COc1ccccc1C(=NO)C 34a_100000164216_200000210301 [0,1,0,0,0,0|1,0,1]=3 493 B12R1.77 COc1ccccc1C(=O)CBr 7a_100000188908_200000210301 [0,1,0,0,0,0|2,0,0]=3 494 B12R1.77 COc1ccccc1C(=O)CF 1458a_100000185835_100015361967 [0,1,0,0,0,0|2,0,0]=3 495 B12R1.77 COc1ccccc1C(=O)NN 34a_100000186518_200000210301 [0,1,0,0,0,0|1,0,0]=2 496 B12R1.77 COc1ccccc1C(=O)NO 34a_100000188472_200000210301 [0,1,0,0,0,0|0,0,0]=1 497 B12R1.77 COc1ccccc1C(C)N[13CH3] 2230a_100000185323_200025704644 [0,1,0,0,0,0|2,0,1]=4 498 B12R1.77 CSc1ccccc1C(=O)CF 1458a_100000183967_100015361967 [0,1,0,0,0,0|2,1,0]=4 499 B12R1.77 CSc1ccccc1C(=O)NN 62a_100000190081_200000210301 [0,1,0,0,0,0|1,1,0]=3 500 B12R1.77 CSc1ccccc1C(=O)NN 62a_200000210301_100000190081 [0,1,0,0,0,0|1,1,0]=3 501 B12R1.77 CSc1ccccc1C(=O)O[Na] 62a_200000210301_114855342371 [0,1,0,0,0,0|2,1,0]=4 502 B12R1.77 N#Cc1ccccc1C(=O)CF 1458a_100000742908_100015361967 [0,1,0,0,0,0|3,0,0]=4 503 B12R1.77 O=C(CF)c1ccccc1CO 1458a_100011301526_100015361967 [0,1,0,0,0,0|2,0,0]=3 504 B12R1.77 O=Ic1ccccc1C(=O)CF 1458a_100000032414_100015361967 [0,1,0,0,0,0|2,0,1]=4 505 B12R1.77 [13CH3]Oc1ccccc1C(=O)CBr 7a_100000188908_200025704644 [0,1,0,0,0,0|2,0,0]=3 506 B12R1.77 [13CH3]Oc1ccccc1C(=O)NN 34a_100000186518_200025704644 [0,1,0,0,0,0|1,0,0]=2 507 B12R1.77 [13CH3]Oc1ccccc1C(=O)NO 34a_100000188472_200025704644 [0,1,0,0,0,0|0,0,0]=1 508 B12R1.77 [13CH3]Sc1ccccc1C(=O)NN 62a_100000190081_200025704644 [0,1,0,0,0,0|1,1,0]=3 509 B12R1.77 [13CH3]Sc1ccccc1C(=O)NN 62a_200025704644_100000190081 [0,1,0,0,0,0|1,1,0]=3 510 B12R1.77 [13CH3]Sc1ccccc1C(=O)O[Na] 62a_200025704644_114855342371 [0,1,0,0,0,0|2,1,0]=4 511 B12R1.124 CC(=C(C)c1ccccc1O)C 271570a_200000049429_100000739446 [0,1,0,0,0,0|3,0,0]=4 512 B12R1.124 CC(C)C(=O)c1ccccc1Br 1458a_100000188424_100000210206 [0,1,0,0,0,0|3,0,0]=4 513 B12R1.124 CC(C)C(=O)c1ccccc1Cl 1458a_100000185844_100000210206 [0,1,0,0,0,0|3,0,0]=4 514 B12R1.124 CC(C)C(=O)c1ccccc1F 1458a_100000188656_100000210206 [0,1,0,0,0,0|3,0,0]=4 515 B12R1.124 CC(C)C(=O)c1ccccc1I 1458a_100000187884_100000210206 [0,1,0,0,0,0|3,0,0]=4 516 B12R1.124 CC(C)C(=O)c1ccccc1O 1458a_100015234032_100000210206 [0,1,0,0,0,0|2,0,0]=3 517 B12R1.124 CC(C)C(=O)c1ccccc1[O-] 1458a_100009911694_100000210206 [0,1,0,0,0,0|2,0,1]=4 518 B12R1.124 CN(C)C(=O)c1ccccc1Br 11a_100102631434_100000188424 [0,1,0,0,0,0|2,0,0]=3 519 B12R1.124 CN(C)C(=O)c1ccccc1Br 1626a_100102631434_100000188424 [0,1,0,0,0,0|2,0,0]=3 520 B12R1.124 CN(C)C(=O)c1ccccc1Br 240690a_100102631434_100000188424 [0,1,0,0,0,0|2,0,0]=3 521 B12R1.124 CN(C)C(=O)c1ccccc1Br 527a_100102631434_100000188424 [0,1,0,0,0,0|2,0,0]=3 522 B12R1.124 CN(C)C(=O)c1ccccc1Cl 11a_100102631434_100000185844 [0,1,0,0,0,0|2,0,0]=3 523 B12R1.124 CN(C)C(=O)c1ccccc1Cl 1626a_100102631434_100000185844 [0,1,0,0,0,0|2,0,0]=3 524 B12R1.124 CN(C)C(=O)c1ccccc1Cl 240690a_100102631434_100000185844 [0,1,0,0,0,0|2,0,0]=3 525 B12R1.124 CN(C)C(=O)c1ccccc1Cl 527a_100102631434_100000185844 [0,1,0,0,0,0|2,0,0]=3 526 B12R1.124 CN(C)C(=O)c1ccccc1F 11a_100102631434_100000188656 [0,1,0,0,0,0|2,0,0]=3 527 B12R1.124 CN(C)C(=O)c1ccccc1F 1626a_100102631434_100000188656 [0,1,0,0,0,0|2,0,0]=3 528 B12R1.124 CN(C)C(=O)c1ccccc1F 240690a_100102631434_100000188656 [0,1,0,0,0,0|2,0,0]=3 529 B12R1.124 CN(C)C(=O)c1ccccc1F 527a_100102631434_100000188656 [0,1,0,0,0,0|2,0,0]=3 530 B12R1.124 CN(C)C(=O)c1ccccc1I 11a_100102631434_100000187884 [0,1,0,0,0,0|2,0,0]=3 531 B12R1.124 CN(C)C(=O)c1ccccc1I 1626a_100102631434_100000187884 [0,1,0,0,0,0|2,0,0]=3 532 B12R1.124 CN(C)C(=O)c1ccccc1I 240690a_100102631434_100000187884 [0,1,0,0,0,0|2,0,0]=3 533 B12R1.124 CN(C)C(=O)c1ccccc1I 527a_100102631434_100000187884 [0,1,0,0,0,0|2,0,0]=3 534 B12R1.124 CN(C)C(=O)c1ccccc1O 240690a_100102631434_100015234032 [0,1,0,0,0,0|1,0,0]=2 535 B12R1.124 CN(C)C(=O)c1ccccc1O 271570a_203496583355_100000159526 [0,1,0,0,0,0|1,0,0]=2 536 B12R1.124 CN(C)C(=O)c1ccccc1[O-] 1626a_100102631434_100009911694 [0,1,0,0,0,0|1,0,1]=3 537 B12R1.124 CN(C)C(=O)c1ccccc1[O-] 240690a_100102631434_100009911694 [0,1,0,0,0,0|1,0,1]=3 538 B12R1.124 CN(C)C(=O)c1ccccc1[O-] 527a_100102631434_100009911694 [0,1,0,0,0,0|1,0,1]=3 539 B12R1.124 CN(C)C(=O)c1cccnc1O 271570a_203496583355_100000159563 [0,1,0,0,0,0|2,0,0]=3 540 B12R1.124 Cc1ccccc1C(=O)C(C)C 1458a_100000212026_100000210206 [0,1,0,0,0,0|3,0,0]=4 541 B12R1.124 Cc1ccccc1C(=O)N(C)C 11a_100102631434_100000212026 [0,1,0,0,0,0|2,0,0]=3 542 B12R1.124 Cc1ccccc1C(=O)N(C)C 1626a_100102631434_100000212026 [0,1,0,0,0,0|2,0,0]=3 543 B12R1.124 Cc1ccccc1C(=O)N(C)C 240690a_100102631434_100000212026 [0,1,0,0,0,0|2,0,0]=3 544 B12R1.124 Cc1ccccc1C(=O)N(C)C 527a_100102631434_100000212026 [0,1,0,0,0,0|2,0,0]=3 545 B12R1.195 CNS(=O)(=O)c1ccccc1Br 270084a_100102657272_100000184729 [0,1,0,0,0,0|3,0,0]=4 546 B12R1.195 CNS(=O)(=O)c1ccccc1Br 274078a_100102657272_100000184729 [0,1,0,0,0,0|3,0,0]=4 547 B12R1.195 CNS(=O)(=O)c1ccccc1Br 40a_100102657272_100010380725 [0,1,0,0,0,0|3,0,0]=4 548 B12R1.195 CNS(=O)(=O)c1ccccc1C 270084a_100102657272_100000750907 [0,1,0,0,0,0|3,0,0]=4 549 B12R1.195 CNS(=O)(=O)c1ccccc1C 274078a_100102657272_100000750907 [0,1,0,0,0,0|3,0,0]=4 550 B12R1.195 CNS(=O)(=O)c1ccccc1C 40a_100102657272_100010269479 [0,1,0,0,0,0|3,0,0]=4 551 B12R1.195 CNS(=O)(=O)c1ccccc1Cl 270084a_100102657272_100000184199 [0,1,0,0,0,0|3,0,0]=4 552 B12R1.195 CNS(=O)(=O)c1ccccc1Cl 274078a_100102657272_100000184199 [0,1,0,0,0,0|3,0,0]=4 553 B12R1.195 CNS(=O)(=O)c1ccccc1F 270084a_100102657272_100000184916 [0,1,0,0,0,0|3,0,0]=4 554 B12R1.195 CNS(=O)(=O)c1ccccc1F 274078a_100102657272_100000184916 [0,1,0,0,0,0|3,0,0]=4 555 B12R1.195 CNS(=O)(=O)c1ccccc1I 270084a_100102657272_100011191325 [0,1,0,0,0,0|3,0,0]=4 556 B12R1.195 CNS(=O)(=O)c1ccccc1I 274078a_100102657272_100011191325 [0,1,0,0,0,0|3,0,0]=4 557 B12R1.195 CNS(=O)(=O)c1ccccc1N 40a_100102657272_100000703237 [0,1,0,0,0,0|3,0,0]=4 558 B12R1.195 CNS(=O)(=O)c1ccccc1O 271570a_203496583355_200000165157 [0,1,0,0,0,0|2,0,0]=3 559 B12R1.195 NNS(=O)(=O)c1ccccc1O 271570a_203496583355_200011248379 [0,1,0,0,0,0|2,0,0]=3 560 B12R1.308 C#CCC(=O)c1ccccc1Br 1458a_100000188424_100000184674 [0,1,0,0,0,0|3,0,0]=4 561 B12R1.308 C#CCC(=O)c1ccccc1C 1458a_100000212026_100000184674 [0,1,0,0,0,0|3,0,0]=4 562 B12R1.308 C#CCC(=O)c1ccccc1Cl 1458a_100000185844_100000184674 [0,1,0,0,0,0|3,0,0]=4 563 B12R1.308 C#CCC(=O)c1ccccc1F 1458a_100000188656_100000184674 [0,1,0,0,0,0|3,0,0]=4 564 B12R1.308 C#CCC(=O)c1ccccc1I 1458a_100000187884_100000184674 [0,1,0,0,0,0|3,0,0]=4 565 B12R1.308 C#CCC(=O)c1ccccc1O 1458a_100015234032_100000184674 [0,1,0,0,0,0|2,0,0]=3 566 B12R1.308 C#CCC(=O)c1ccccc1[O-] 1458a_100009911694_100000184674 [0,1,0,0,0,0|2,0,1]=4 567 B12R1.308 C=CCC(=O)c1ccccc1Br 1458a_100000188424_100000210623 [0,1,0,0,0,0|3,0,0]=4 568 B12R1.308 C=CCC(=O)c1ccccc1C 1458a_100000212026_100000210623 [0,1,0,0,0,0|3,0,0]=4 569 B12R1.308 C=CCC(=O)c1ccccc1Cl 1458a_100000185844_100000210623 [0,1,0,0,0,0|3,0,0]=4 570 B12R1.308 C=CCC(=O)c1ccccc1F 1458a_100000188656_100000210623 [0,1,0,0,0,0|3,0,0]=4 571 B12R1.308 C=CCC(=O)c1ccccc1I 1458a_100000187884_100000210623 [0,1,0,0,0,0|3,0,0]=4 572 B12R1.308 C=CCC(=O)c1ccccc1O 1458a_100015234032_100000210623 [0,1,0,0,0,0|2,0,0]=3 573 B12R1.308 C=CCC(=O)c1ccccc1[O-] 1458a_100009911694_100000210623 [0,1,0,0,0,0|2,0,1]=4 574 B12R1.308 CCCC(=O)c1ccccc1Br 1458a_100000188424_100000210303 [0,1,0,0,0,0|3,0,0]=4 575 B12R1.308 CCCC(=O)c1ccccc1C 1458a_100000212026_100000210303 [0,1,0,0,0,0|3,0,0]=4 576 B12R1.308 CCCC(=O)c1ccccc1Cl 1458a_100000185844_100000210303 [0,1,0,0,0,0|3,0,0]=4 577 B12R1.308 CCCC(=O)c1ccccc1F 1458a_100000188656_100000210303 [0,1,0,0,0,0|3,0,0]=4 578 B12R1.308 CCCC(=O)c1ccccc1I 1458a_100000187884_100000210303 [0,1,0,0,0,0|3,0,0]=4 579 B12R1.308 CCCC(=O)c1ccccc1O 1458a_100015234032_100000210303 [0,1,0,0,0,0|2,0,0]=3 580 B12R1.308 CCCC(=O)c1ccccc1[O-] 1458a_100009911694_100000210303 [0,1,0,0,0,0|2,0,1]=4 581 B12R1.308 CCNC(=O)c1ccccc1Br 11a_100015525214_100000188424 [0,1,0,0,0,0|2,0,0]=3 582 B12R1.308 CCNC(=O)c1ccccc1Br 240690a_100015525214_100000188424 [0,1,0,0,0,0|2,0,0]=3 583 B12R1.308 CCNC(=O)c1ccccc1Br 527a_100015525214_100000188424 [0,1,0,0,0,0|2,0,0]=3 584 B12R1.308 CCNC(=O)c1ccccc1C 11a_100015525214_100000212026 [0,1,0,0,0,0|2,0,0]=3 585 B12R1.308 CCNC(=O)c1ccccc1C 240690a_100015525214_100000212026 [0,1,0,0,0,0|2,0,0]=3 586 B12R1.308 CCNC(=O)c1ccccc1C 527a_100015525214_100000212026 [0,1,0,0,0,0|2,0,0]=3 587 B12R1.308 CCNC(=O)c1ccccc1Cl 11a_100015525214_100000185844 [0,1,0,0,0,0|2,0,0]=3 588 B12R1.308 CCNC(=O)c1ccccc1Cl 240690a_100015525214_100000185844 [0,1,0,0,0,0|2,0,0]=3 589 B12R1.308 CCNC(=O)c1ccccc1Cl 527a_100015525214_100000185844 [0,1,0,0,0,0|2,0,0]=3 590 B12R1.308 CCNC(=O)c1ccccc1F 11a_100015525214_100000188656 [0,1,0,0,0,0|2,0,0]=3 591 B12R1.308 CCNC(=O)c1ccccc1F 240690a_100015525214_100000188656 [0,1,0,0,0,0|2,0,0]=3 592 B12R1.308 CCNC(=O)c1ccccc1F 527a_100015525214_100000188656 [0,1,0,0,0,0|2,0,0]=3 593 B12R1.308 CCNC(=O)c1ccccc1I 11a_100015525214_100000187884 [0,1,0,0,0,0|2,0,0]=3 594 B12R1.308 CCNC(=O)c1ccccc1I 240690a_100015525214_100000187884 [0,1,0,0,0,0|2,0,0]=3 595 B12R1.308 CCNC(=O)c1ccccc1I 527a_100015525214_100000187884 [0,1,0,0,0,0|2,0,0]=3 596 B12R1.308 CCNC(=O)c1ccccc1O 240690a_100015525214_100015234032 [0,1,0,0,0,0|1,0,0]=2 597 B12R1.308 CCNC(=O)c1ccccc1O 271570a_203496583355_200000155173 [0,1,0,0,0,0|1,0,0]=2 598 B12R1.308 CCNC(=O)c1ccccc1[O-] 240690a_100015525214_100009911694 [0,1,0,0,0,0|1,0,1]=3 599 B12R1.308 CCNC(=O)c1ccccc1[O-] 527a_100015525214_100009911694 [0,1,0,0,0,0|1,0,1]=3 600 B12R1.308 CCNC(=O)c1cccnc1O 271570a_203496583355_100000160120 [0,1,0,0,0,0|2,0,0]=3 601 B12R1.308 CCN[C@H](C)c1ccccc1O 2230a_100025703389_100000210202 [0,1,0,0,0,0|2,0,1]=4 602 B12R1.308 CCOC(=O)c1ccccc1O 271570a_203496583355_100000169879 [0,1,0,0,0,0|2,0,0]=3 603 B12R1.308 CCOC(=O)c1cccnc1O 271570a_203496583355_100000170124 [0,1,0,0,0,0|3,0,0]=4 604 B12R1.308 CCOC(=O)c1ccncc1O 271570a_203496583355_100010238393 [0,1,0,0,0,0|3,0,0]=4 605 B12R1.308 CCOC(=O)c1cnccc1O 271570a_203496583355_100016987518 [0,1,0,0,0,0|3,0,0]=4 606 B12R1.308 CCOC(=O)c1ncccc1O 271570a_203496583355_100012351660 [0,1,0,0,0,0|3,0,0]=4 607 B12R1.308 CN(CCO)c1ccccc1O 269982a_100000033821_100000211926 [0,1,0,0,0,0|3,0,0]=4 608 B12R1.308 CNCC(=O)c1ccccc1Br 34a_100102657272_100000199116 [0,1,0,0,0,0|2,0,0]=3 609 B12R1.308 CNCC(=O)c1ccccc1C 2230a_106832991635_100000741374 [0,1,0,0,0,0|2,0,0]=3 610 B12R1.308 CNCC(=O)c1ccccc1C 34a_100102657272_100000741374 [0,1,0,0,0,0|2,0,0]=3 611 B12R1.308 CNCC(=O)c1ccccc1C 7a_106832991635_100000741374 [0,1,0,0,0,0|2,0,0]=3 612 B12R1.308 CNCC(=O)c1ccccc1Cl 34a_100102657272_100000211432 [0,1,0,0,0,0|2,0,0]=3 613 B12R1.308 CNCC(=O)c1ccccc1F 34a_100102657272_100000204681 [0,1,0,0,0,0|2,0,0]=3 614 B12R1.308 CNCC(=O)c1ccccc1F 7a_106832991635_100000204681 [0,1,0,0,0,0|2,0,0]=3 615 B12R1.308 CNCC(=O)c1ccccc1O 7a_106832991635_100000188908 [0,1,0,0,0,0|1,0,0]=2 616 B12R1.308 CNNC(=O)c1ccccc1Br 22a_100016993582_100000188424 [0,1,0,0,0,0|2,0,0]=3 617 B12R1.308 CNNC(=O)c1ccccc1C 22a_100016993582_100000212026 [0,1,0,0,0,0|2,0,0]=3 618 B12R1.308 CNNC(=O)c1ccccc1Cl 22a_100016993582_100000185844 [0,1,0,0,0,0|2,0,0]=3 619 B12R1.308 CNNC(=O)c1ccccc1F 22a_100016993582_100000188656 [0,1,0,0,0,0|2,0,0]=3 620 B12R1.308 CNNC(=O)c1ccccc1I 22a_100016993582_100000187884 [0,1,0,0,0,0|2,0,0]=3 621 B12R1.308 CNNC(=O)c1ccccc1O 22a_100016993582_100015234032 [0,1,0,0,0,0|1,0,0]=2 622 B12R1.308 CNNC(=O)c1ccccc1[O-] 22a_100016993582_100009911694 [0,1,0,0,0,0|1,0,1]=3 623 B12R1.308 COCC(=O)c1ccccc1Br 34a_100138415774_100000199116 [0,1,0,0,0,0|2,0,0]=3 624 B12R1.308 COCC(=O)c1ccccc1C 34a_100138415774_100000741374 [0,1,0,0,0,0|2,0,0]=3 625 B12R1.308 COCC(=O)c1ccccc1Cl 34a_100138415774_100000211432 [0,1,0,0,0,0|2,0,0]=3 626 B12R1.308 COCC(=O)c1ccccc1F 34a_100138415774_100000204681 [0,1,0,0,0,0|2,0,0]=3 627 B12R1.308 COCN(C)c1ccccc1O 269982a_100000033821_100000766300 [0,1,0,0,0,0|3,0,0]=4 628 B12R1.308 CSCC(=O)c1ccccc1Br 62a_100000199116_200000210301 [0,1,0,0,0,0|2,1,0]=4 629 B12R1.308 CSCC(=O)c1ccccc1C 62a_100000741374_200000210301 [0,1,0,0,0,0|2,1,0]=4 630 B12R1.308 CSCC(=O)c1ccccc1C 62a_200000210301_100000741374 [0,1,0,0,0,0|2,1,0]=4 631 B12R1.308 CSCC(=O)c1ccccc1Cl 62a_100000211432_200000210301 [0,1,0,0,0,0|2,1,0]=4 632 B12R1.308 CSCC(=O)c1ccccc1Cl 62a_200000210301_100000211432 [0,1,0,0,0,0|2,1,0]=4 633 B12R1.308 CSCC(=O)c1ccccc1F 62a_100000204681_200000210301 [0,1,0,0,0,0|2,1,0]=4 634 B12R1.308 CSCC(=O)c1ccccc1F 62a_200000210301_100000204681 [0,1,0,0,0,0|2,1,0]=4 635 B12R1.308 CSCC(=O)c1ccccc1O 62a_100000188908_200000210301 [0,1,0,0,0,0|1,1,0]=3 636 B12R1.308 CSCC(=O)c1ccccc1O 62a_200000210301_100000188908 [0,1,0,0,0,0|1,1,0]=3 637 B12R1.308 Cc1ccccc1C(=O)CC#N 1458a_100000212026_100011214920 [0,1,0,0,0,0|3,0,0]=4 638 B12R1.308 Cc1ccccc1C(=O)CCF 1458a_100000212026_100011217306 [0,1,0,0,0,0|3,0,0]=4 639 B12R1.308 Cc1ccccc1C(=O)CCO 1458a_100000212026_100000211926 [0,1,0,0,0,0|2,0,0]=3 640 B12R1.308 Cc1ccccc1C(=O)CS[13CH3] 62a_100000741374_200025704644 [0,1,0,0,0,0|2,1,0]=4 641 B12R1.308 Cc1ccccc1C(=O)CS[13CH3] 62a_200025704644_100000741374 [0,1,0,0,0,0|2,1,0]=4 642 B12R1.308 N#CCC(=O)c1ccccc1Br 1458a_100000188424_100011214920 [0,1,0,0,0,0|3,0,0]=4 643 B12R1.308 N#CCC(=O)c1ccccc1Cl 1458a_100000185844_100011214920 [0,1,0,0,0,0|3,0,0]=4 644 B12R1.308 N#CCC(=O)c1ccccc1F 1458a_100000188656_100011214920 [0,1,0,0,0,0|3,0,0]=4 645 B12R1.308 N#CCC(=O)c1ccccc1I 1458a_100000187884_100011214920 [0,1,0,0,0,0|3,0,0]=4 646 B12R1.308 N#CCC(=O)c1ccccc1O 1458a_100015234032_100011214920 [0,1,0,0,0,0|2,0,0]=3 647 B12R1.308 N#CCC(=O)c1ccccc1O 271570a_203496583355_100011225204 [0,1,0,0,0,0|2,0,0]=3 648 B12R1.308 N#CCC(=O)c1ccccc1[O-] 1458a_100009911694_100011214920 [0,1,0,0,0,0|2,0,1]=4 649 B12R1.308 O=C(CCF)c1ccccc1Br 1458a_100000188424_100011217306 [0,1,0,0,0,0|3,0,0]=4 650 B12R1.308 O=C(CCF)c1ccccc1Cl 1458a_100000185844_100011217306 [0,1,0,0,0,0|3,0,0]=4 651 B12R1.308 O=C(CCF)c1ccccc1F 1458a_100000188656_100011217306 [0,1,0,0,0,0|3,0,0]=4 652 B12R1.308 O=C(CCF)c1ccccc1I 1458a_100000187884_100011217306 [0,1,0,0,0,0|3,0,0]=4 653 B12R1.308 O=C(CCF)c1ccccc1O 1458a_100015234032_100011217306 [0,1,0,0,0,0|2,0,0]=3 654 B12R1.308 O=C(CCF)c1ccccc1[O-] 1458a_100009911694_100011217306 [0,1,0,0,0,0|2,0,1]=4 655 B12R1.308 O=C(CCO)c1ccccc1Br 1458a_100000188424_100000211926 [0,1,0,0,0,0|2,0,0]=3 656 B12R1.308 O=C(CCO)c1ccccc1Cl 1458a_100000185844_100000211926 [0,1,0,0,0,0|2,0,0]=3 657 B12R1.308 O=C(CCO)c1ccccc1F 1458a_100000188656_100000211926 [0,1,0,0,0,0|2,0,0]=3 658 B12R1.308 O=C(CCO)c1ccccc1I 1458a_100000187884_100000211926 [0,1,0,0,0,0|2,0,0]=3 659 B12R1.308 O=C(CCO)c1ccccc1O 1458a_100015234032_100000211926 [0,1,0,0,0,0|1,0,0]=2 660 B12R1.308 O=C(CCO)c1ccccc1[O-] 1458a_100009911694_100000211926 [0,1,0,0,0,0|1,0,1]=3 661 B12R1.308 [13CH3]SCC(=O)c1ccccc1Br 62a_100000199116_200025704644 [0,1,0,0,0,0|2,1,0]=4 662 B12R1.308 [13CH3]SCC(=O)c1ccccc1Cl 62a_100000211432_200025704644 [0,1,0,0,0,0|2,1,0]=4 663 B12R1.308 [13CH3]SCC(=O)c1ccccc1Cl 62a_200025704644_100000211432 [0,1,0,0,0,0|2,1,0]=4 664 B12R1.308 [13CH3]SCC(=O)c1ccccc1F 62a_100000204681_200025704644 [0,1,0,0,0,0|2,1,0]=4 665 B12R1.308 [13CH3]SCC(=O)c1ccccc1F 62a_200025704644_100000204681 [0,1,0,0,0,0|2,1,0]=4 666 B12R1.308 [13CH3]SCC(=O)c1ccccc1O 62a_100000188908_200025704644 [0,1,0,0,0,0|1,1,0]=3 667 B12R1.308 [13CH3]SCC(=O)c1ccccc1O 62a_200025704644_100000188908 [0,1,0,0,0,0|1,1,0]=3 668 B12R1.354 CCC(=O)c1cc(ccc1Br)Br 1458a_100000690610_100000210202 [0,1,0,0,0,0|3,0,0]=4 669 B12R1.354 CCC(=O)c1cc(ccc1Br)C 1458a_100000689033_100000210202 [0,1,0,0,0,0|3,0,0]=4 670 B12R1.354 CCC(=O)c1cc(ccc1Br)Cl 1458a_100000736951_100000210202 [0,1,0,0,0,0|3,0,0]=4 671 B12R1.354 CCC(=O)c1cc(ccc1Br)F 1458a_100000212315_100000210202 [0,1,0,0,0,0|3,0,0]=4 672 B12R1.354 CCC(=O)c1cc(ccc1Br)I 1458a_100000698340_100000210202 [0,1,0,0,0,0|3,0,0]=4 673 B12R1.354 CCC(=O)c1cc(ccc1Br)O 1458a_100012352043_100000210202 [0,1,0,0,0,0|3,0,0]=4 674 B12R1.354 CCC(=O)c1cc(ccc1C)Br 1458a_100000759961_100000210202 [0,1,0,0,0,0|3,0,0]=4 675 B12R1.354 CCC(=O)c1cc(ccc1C)C 1458a_100000195421_100000210202 [0,1,0,0,0,0|3,0,0]=4 676 B12R1.354 CCC(=O)c1cc(ccc1C)Cl 1458a_100000692595_100000210202 [0,1,0,0,0,0|3,0,0]=4 677 B12R1.354 CCC(=O)c1cc(ccc1C)F 1458a_100000240043_100000210202 [0,1,0,0,0,0|3,0,0]=4 678 B12R1.354 CCC(=O)c1cc(ccc1C)I 1458a_100000688012_100000210202 [0,1,0,0,0,0|3,0,0]=4 679 B12R1.354 CCC(=O)c1cc(ccc1C)O 1458a_100000687834_100000210202 [0,1,0,0,0,0|3,0,0]=4 680 B12R1.354 CCC(=O)c1cc(ccc1Cl)Br 1458a_100000211212_100000210202 [0,1,0,0,0,0|3,0,0]=4 681 B12R1.354 CCC(=O)c1cc(ccc1Cl)C 1458a_100011290873_100000210202 [0,1,0,0,0,0|3,0,0]=4 682 B12R1.354 CCC(=O)c1cc(ccc1Cl)Cl 1458a_100000210642_100000210202 [0,1,0,0,0,0|3,0,0]=4 683 B12R1.354 CCC(=O)c1cc(ccc1Cl)F 1458a_100011219680_100000210202 [0,1,0,0,0,0|3,0,0]=4 684 B12R1.354 CCC(=O)c1cc(ccc1Cl)I 1458a_100000688013_100000210202 [0,1,0,0,0,0|3,0,0]=4 685 B12R1.354 CCC(=O)c1cc(ccc1Cl)O 1458a_100000719527_100000210202 [0,1,0,0,0,0|3,0,0]=4 686 B12R1.354 CCC(=O)c1cc(ccc1F)Br 1458a_100000212322_100000210202 [0,1,0,0,0,0|3,0,0]=4 687 B12R1.354 CCC(=O)c1cc(ccc1F)C 1458a_100000749327_100000210202 [0,1,0,0,0,0|3,0,0]=4 688 B12R1.354 CCC(=O)c1cc(ccc1F)Cl 1458a_100000214954_100000210202 [0,1,0,0,0,0|3,0,0]=4 689 B12R1.354 CCC(=O)c1cc(ccc1F)F 1458a_100000198512_100000210202 [0,1,0,0,0,0|3,0,0]=4 690 B12R1.354 CCC(=O)c1cc(ccc1F)I 1458a_100000688014_100000210202 [0,1,0,0,0,0|3,0,0]=4 691 B12R1.354 CCC(=O)c1cc(ccc1F)O 1458a_100000037260_100000210202 [0,1,0,0,0,0|3,0,0]=4 692 B12R1.354 CCC(=O)c1cc(ccc1I)Br 1458a_100000183945_100000210202 [0,1,0,0,0,0|3,0,0]=4 693 B12R1.354 CCC(=O)c1cc(ccc1I)C 1458a_100000057929_100000210202 [0,1,0,0,0,0|3,0,0]=4 694 B12R1.354 CCC(=O)c1cc(ccc1I)Cl 1458a_100000739379_100000210202 [0,1,0,0,0,0|3,0,0]=4 695 B12R1.354 CCC(=O)c1cc(ccc1I)F 1458a_100000748905_100000210202 [0,1,0,0,0,0|3,0,0]=4 696 B12R1.354 CCC(=O)c1cc(ccc1I)I 1458a_100000750460_100000210202 [0,1,0,0,0,0|3,0,0]=4 697 B12R1.354 CCC(=O)c1cc(ccc1I)O 1458a_200009995701_100000210202 [0,1,0,0,0,0|3,0,0]=4 698 B12R1.354 CCC(=O)c1cc(ccc1O)Br 1458a_100000212140_100000210202 [0,1,0,0,0,0|2,0,0]=3 699 B12R1.354 CCC(=O)c1cc(ccc1O)C 1458a_100000229998_100000210202 [0,1,0,0,0,0|2,0,0]=3 700 B12R1.354 CCC(=O)c1cc(ccc1O)Cl 1458a_100000212143_100000210202 [0,1,0,0,0,0|2,0,0]=3 701 B12R1.354 CCC(=O)c1cc(ccc1O)F 1458a_100000742286_100000210202 [0,1,0,0,0,0|2,0,0]=3 702 B12R1.354 CCC(=O)c1cc(ccc1O)I 1458a_100000212111_100000210202 [0,1,0,0,0,0|2,0,0]=3 703 B12R1.354 CCC(=O)c1cc(ccc1O)O 1458a_100000758025_100000210202 [0,1,0,0,0,0|2,0,0]=3 704 B12R1.354 CCC(=O)c1cc(ccc1O)O 271570a_203496583355_100000183607 [0,1,0,0,0,0|2,0,0]=3 705 B12R1.354 CNC(=O)c1cc(ccc1Br)Br 11a_106832991635_100000690610 [0,1,0,0,0,0|2,0,0]=3 706 B12R1.354 CNC(=O)c1cc(ccc1Br)Br 1626a_100102657272_100000690610 [0,1,0,0,0,0|2,0,0]=3 707 B12R1.354 CNC(=O)c1cc(ccc1Br)Br 240690a_100102657272_100000690610 [0,1,0,0,0,0|2,0,0]=3 708 B12R1.354 CNC(=O)c1cc(ccc1Br)Br 527a_100102657272_100000690610 [0,1,0,0,0,0|2,0,0]=3 709 B12R1.354 CNC(=O)c1cc(ccc1Br)C 11a_106832991635_100000689033 [0,1,0,0,0,0|2,0,0]=3 710 B12R1.354 CNC(=O)c1cc(ccc1Br)C 1626a_100102657272_100000689033 [0,1,0,0,0,0|2,0,0]=3 711 B12R1.354 CNC(=O)c1cc(ccc1Br)C 240690a_100102657272_100000689033 [0,1,0,0,0,0|2,0,0]=3 712 B12R1.354 CNC(=O)c1cc(ccc1Br)C 527a_100102657272_100000689033 [0,1,0,0,0,0|2,0,0]=3 713 B12R1.354 CNC(=O)c1cc(ccc1Br)Cl 11a_106832991635_100000736951 [0,1,0,0,0,0|2,0,0]=3 714 B12R1.354 CNC(=O)c1cc(ccc1Br)Cl 1626a_100102657272_100000736951 [0,1,0,0,0,0|2,0,0]=3 715 B12R1.354 CNC(=O)c1cc(ccc1Br)Cl 240690a_100102657272_100000736951 [0,1,0,0,0,0|2,0,0]=3 716 B12R1.354 CNC(=O)c1cc(ccc1Br)Cl 527a_100102657272_100000736951 [0,1,0,0,0,0|2,0,0]=3 717 B12R1.354 CNC(=O)c1cc(ccc1Br)F 11a_106832991635_100000212315 [0,1,0,0,0,0|2,0,0]=3 718 B12R1.354 CNC(=O)c1cc(ccc1Br)F 1626a_100102657272_100000212315 [0,1,0,0,0,0|2,0,0]=3 719 B12R1.354 CNC(=O)c1cc(ccc1Br)F 240690a_100102657272_100000212315 [0,1,0,0,0,0|2,0,0]=3 720 B12R1.354 CNC(=O)c1cc(ccc1Br)F 527a_100102657272_100000212315 [0,1,0,0,0,0|2,0,0]=3 721 B12R1.354 CNC(=O)c1cc(ccc1Br)I 11a_106832991635_100000698340 [0,1,0,0,0,0|2,0,0]=3 722 B12R1.354 CNC(=O)c1cc(ccc1Br)I 1626a_100102657272_100000698340 [0,1,0,0,0,0|2,0,0]=3 723 B12R1.354 CNC(=O)c1cc(ccc1Br)I 240690a_100102657272_100000698340 [0,1,0,0,0,0|2,0,0]=3 724 B12R1.354 CNC(=O)c1cc(ccc1Br)I 527a_100102657272_100000698340 [0,1,0,0,0,0|2,0,0]=3 725 B12R1.354 CNC(=O)c1cc(ccc1Br)O 240690a_100102657272_100012352043 [0,1,0,0,0,0|2,0,0]=3 726 B12R1.354 CNC(=O)c1cc(ccc1Br)O 527a_100102657272_100012352043 [0,1,0,0,0,0|2,0,0]=3 727 B12R1.354 CNC(=O)c1cc(ccc1C)Br 11a_106832991635_100000759961 [0,1,0,0,0,0|2,0,0]=3 728 B12R1.354 CNC(=O)c1cc(ccc1C)Br 1626a_100102657272_100000759961 [0,1,0,0,0,0|2,0,0]=3 729 B12R1.354 CNC(=O)c1cc(ccc1C)Br 240690a_100102657272_100000759961 [0,1,0,0,0,0|2,0,0]=3 730 B12R1.354 CNC(=O)c1cc(ccc1C)Br 527a_100102657272_100000759961 [0,1,0,0,0,0|2,0,0]=3 731 B12R1.354 CNC(=O)c1cc(ccc1C)C 11a_106832991635_100000195421 [0,1,0,0,0,0|2,0,0]=3 732 B12R1.354 CNC(=O)c1cc(ccc1C)C 1626a_100102657272_100000195421 [0,1,0,0,0,0|2,0,0]=3 733 B12R1.354 CNC(=O)c1cc(ccc1C)C 240690a_100102657272_100000195421 [0,1,0,0,0,0|2,0,0]=3 734 B12R1.354 CNC(=O)c1cc(ccc1C)C 527a_100102657272_100000195421 [0,1,0,0,0,0|2,0,0]=3 735 B12R1.354 CNC(=O)c1cc(ccc1C)Cl 11a_106832991635_100000692595 [0,1,0,0,0,0|2,0,0]=3 736 B12R1.354 CNC(=O)c1cc(ccc1C)Cl 1626a_100102657272_100000692595 [0,1,0,0,0,0|2,0,0]=3 737 B12R1.354 CNC(=O)c1cc(ccc1C)Cl 240690a_100102657272_100000692595 [0,1,0,0,0,0|2,0,0]=3 738 B12R1.354 CNC(=O)c1cc(ccc1C)Cl 527a_100102657272_100000692595 [0,1,0,0,0,0|2,0,0]=3 739 B12R1.354 CNC(=O)c1cc(ccc1C)F 11a_106832991635_100000240043 [0,1,0,0,0,0|2,0,0]=3 740 B12R1.354 CNC(=O)c1cc(ccc1C)F 1626a_100102657272_100000240043 [0,1,0,0,0,0|2,0,0]=3 741 B12R1.354 CNC(=O)c1cc(ccc1C)F 240690a_100102657272_100000240043 [0,1,0,0,0,0|2,0,0]=3 742 B12R1.354 CNC(=O)c1cc(ccc1C)F 527a_100102657272_100000240043 [0,1,0,0,0,0|2,0,0]=3 743 B12R1.354 CNC(=O)c1cc(ccc1C)I 11a_106832991635_100000688012 [0,1,0,0,0,0|2,0,0]=3 744 B12R1.354 CNC(=O)c1cc(ccc1C)I 1626a_100102657272_100000688012 [0,1,0,0,0,0|2,0,0]=3 745 B12R1.354 CNC(=O)c1cc(ccc1C)I 240690a_100102657272_100000688012 [0,1,0,0,0,0|2,0,0]=3 746 B12R1.354 CNC(=O)c1cc(ccc1C)I 527a_100102657272_100000688012 [0,1,0,0,0,0|2,0,0]=3 747 B12R1.354 CNC(=O)c1cc(ccc1C)O 240690a_100102657272_100000687834 [0,1,0,0,0,0|2,0,0]=3 748 B12R1.354 CNC(=O)c1cc(ccc1Cl)Br 11a_106832991635_100000211212 [0,1,0,0,0,0|2,0,0]=3 749 B12R1.354 CNC(=O)c1cc(ccc1Cl)Br 1626a_100102657272_100000211212 [0,1,0,0,0,0|2,0,0]=3 750 B12R1.354 CNC(=O)c1cc(ccc1Cl)Br 240690a_100102657272_100000211212 [0,1,0,0,0,0|2,0,0]=3 751 B12R1.354 CNC(=O)c1cc(ccc1Cl)Br 527a_100102657272_100000211212 [0,1,0,0,0,0|2,0,0]=3 752 B12R1.354 CNC(=O)c1cc(ccc1Cl)C 11a_106832991635_100011290873 [0,1,0,0,0,0|2,0,0]=3 753 B12R1.354 CNC(=O)c1cc(ccc1Cl)C 1626a_100102657272_100011290873 [0,1,0,0,0,0|2,0,0]=3 754 B12R1.354 CNC(=O)c1cc(ccc1Cl)C 240690a_100102657272_100011290873 [0,1,0,0,0,0|2,0,0]=3 755 B12R1.354 CNC(=O)c1cc(ccc1Cl)C 527a_100102657272_100011290873 [0,1,0,0,0,0|2,0,0]=3 756 B12R1.354 CNC(=O)c1cc(ccc1Cl)Cl 11a_106832991635_100000210642 [0,1,0,0,0,0|2,0,0]=3 757 B12R1.354 CNC(=O)c1cc(ccc1Cl)Cl 1626a_100102657272_100000210642 [0,1,0,0,0,0|2,0,0]=3 758 B12R1.354 CNC(=O)c1cc(ccc1Cl)Cl 240690a_100102657272_100000210642 [0,1,0,0,0,0|2,0,0]=3 759 B12R1.354 CNC(=O)c1cc(ccc1Cl)Cl 527a_100102657272_100000210642 [0,1,0,0,0,0|2,0,0]=3 760 B12R1.354 CNC(=O)c1cc(ccc1Cl)F 11a_106832991635_100011219680 [0,1,0,0,0,0|2,0,0]=3 761 B12R1.354 CNC(=O)c1cc(ccc1Cl)F 1626a_100102657272_100011219680 [0,1,0,0,0,0|2,0,0]=3 762 B12R1.354 CNC(=O)c1cc(ccc1Cl)F 240690a_100102657272_100011219680 [0,1,0,0,0,0|2,0,0]=3 763 B12R1.354 CNC(=O)c1cc(ccc1Cl)F 527a_100102657272_100011219680 [0,1,0,0,0,0|2,0,0]=3 764 B12R1.354 CNC(=O)c1cc(ccc1Cl)I 11a_106832991635_100000688013 [0,1,0,0,0,0|2,0,0]=3 765 B12R1.354 CNC(=O)c1cc(ccc1Cl)I 1626a_100102657272_100000688013 [0,1,0,0,0,0|2,0,0]=3 766 B12R1.354 CNC(=O)c1cc(ccc1Cl)I 240690a_100102657272_100000688013 [0,1,0,0,0,0|2,0,0]=3 767 B12R1.354 CNC(=O)c1cc(ccc1Cl)I 527a_100102657272_100000688013 [0,1,0,0,0,0|2,0,0]=3 768 B12R1.354 CNC(=O)c1cc(ccc1Cl)O 240690a_100102657272_100000719527 [0,1,0,0,0,0|2,0,0]=3 769 B12R1.354 CNC(=O)c1cc(ccc1Cl)O 527a_100102657272_100000719527 [0,1,0,0,0,0|2,0,0]=3 770 B12R1.354 CNC(=O)c1cc(ccc1F)Br 11a_106832991635_100000212322 [0,1,0,0,0,0|2,0,0]=3 771 B12R1.354 CNC(=O)c1cc(ccc1F)Br 1626a_100102657272_100000212322 [0,1,0,0,0,0|2,0,0]=3 772 B12R1.354 CNC(=O)c1cc(ccc1F)Br 240690a_100102657272_100000212322 [0,1,0,0,0,0|2,0,0]=3 773 B12R1.354 CNC(=O)c1cc(ccc1F)Br 527a_100102657272_100000212322 [0,1,0,0,0,0|2,0,0]=3 774 B12R1.354 CNC(=O)c1cc(ccc1F)C 11a_106832991635_100000749327 [0,1,0,0,0,0|2,0,0]=3 775 B12R1.354 CNC(=O)c1cc(ccc1F)C 1626a_100102657272_100000749327 [0,1,0,0,0,0|2,0,0]=3 776 B12R1.354 CNC(=O)c1cc(ccc1F)C 240690a_100102657272_100000749327 [0,1,0,0,0,0|2,0,0]=3 777 B12R1.354 CNC(=O)c1cc(ccc1F)C 527a_100102657272_100000749327 [0,1,0,0,0,0|2,0,0]=3 778 B12R1.354 CNC(=O)c1cc(ccc1F)Cl 11a_106832991635_100000214954 [0,1,0,0,0,0|2,0,0]=3 779 B12R1.354 CNC(=O)c1cc(ccc1F)Cl 1626a_100102657272_100000214954 [0,1,0,0,0,0|2,0,0]=3 780 B12R1.354 CNC(=O)c1cc(ccc1F)Cl 240690a_100102657272_100000214954 [0,1,0,0,0,0|2,0,0]=3 781 B12R1.354 CNC(=O)c1cc(ccc1F)Cl 527a_100102657272_100000214954 [0,1,0,0,0,0|2,0,0]=3 782 B12R1.354 CNC(=O)c1cc(ccc1F)F 11a_106832991635_100000198512 [0,1,0,0,0,0|2,0,0]=3 783 B12R1.354 CNC(=O)c1cc(ccc1F)F 1626a_100102657272_100000198512 [0,1,0,0,0,0|2,0,0]=3 784 B12R1.354 CNC(=O)c1cc(ccc1F)F 240690a_100102657272_100000198512 [0,1,0,0,0,0|2,0,0]=3 785 B12R1.354 CNC(=O)c1cc(ccc1F)F 527a_100102657272_100000198512 [0,1,0,0,0,0|2,0,0]=3 786 B12R1.354 CNC(=O)c1cc(ccc1F)I 11a_106832991635_100000688014 [0,1,0,0,0,0|2,0,0]=3 787 B12R1.354 CNC(=O)c1cc(ccc1F)I 1626a_100102657272_100000688014 [0,1,0,0,0,0|2,0,0]=3 788 B12R1.354 CNC(=O)c1cc(ccc1F)I 240690a_100102657272_100000688014 [0,1,0,0,0,0|2,0,0]=3 789 B12R1.354 CNC(=O)c1cc(ccc1F)I 527a_100102657272_100000688014 [0,1,0,0,0,0|2,0,0]=3 790 B12R1.354 CNC(=O)c1cc(ccc1F)O 240690a_100102657272_100000037260 [0,1,0,0,0,0|2,0,0]=3 791 B12R1.354 CNC(=O)c1cc(ccc1F)O 271570a_203496583355_100000155058 [0,1,0,0,0,0|2,0,0]=3 792 B12R1.354 CNC(=O)c1cc(ccc1F)O 527a_100102657272_100000037260 [0,1,0,0,0,0|2,0,0]=3 793 B12R1.354 CNC(=O)c1cc(ccc1I)Br 11a_106832991635_100000183945 [0,1,0,0,0,0|2,0,0]=3 794 B12R1.354 CNC(=O)c1cc(ccc1I)Br 1626a_100102657272_100000183945 [0,1,0,0,0,0|2,0,0]=3 795 B12R1.354 CNC(=O)c1cc(ccc1I)Br 240690a_100102657272_100000183945 [0,1,0,0,0,0|2,0,0]=3 796 B12R1.354 CNC(=O)c1cc(ccc1I)C 11a_106832991635_100000057929 [0,1,0,0,0,0|2,0,0]=3 797 B12R1.354 CNC(=O)c1cc(ccc1I)C 1626a_100102657272_100000057929 [0,1,0,0,0,0|2,0,0]=3 798 B12R1.354 CNC(=O)c1cc(ccc1I)C 240690a_100102657272_100000057929 [0,1,0,0,0,0|2,0,0]=3 799 B12R1.354 CNC(=O)c1cc(ccc1I)C 527a_100102657272_100000057929 [0,1,0,0,0,0|2,0,0]=3 800 B12R1.354 CNC(=O)c1cc(ccc1I)Cl 11a_106832991635_100000739379 [0,1,0,0,0,0|2,0,0]=3 801 B12R1.354 CNC(=O)c1cc(ccc1I)Cl 1626a_100102657272_100000739379 [0,1,0,0,0,0|2,0,0]=3 802 B12R1.354 CNC(=O)c1cc(ccc1I)Cl 240690a_100102657272_100000739379 [0,1,0,0,0,0|2,0,0]=3 803 B12R1.354 CNC(=O)c1cc(ccc1I)Cl 527a_100102657272_100000739379 [0,1,0,0,0,0|2,0,0]=3 804 B12R1.354 CNC(=O)c1cc(ccc1I)F 11a_106832991635_100000748905 [0,1,0,0,0,0|2,0,0]=3 805 B12R1.354 CNC(=O)c1cc(ccc1I)F 1626a_100102657272_100000748905 [0,1,0,0,0,0|2,0,0]=3 806 B12R1.354 CNC(=O)c1cc(ccc1I)F 240690a_100102657272_100000748905 [0,1,0,0,0,0|2,0,0]=3 807 B12R1.354 CNC(=O)c1cc(ccc1I)F 527a_100102657272_100000748905 [0,1,0,0,0,0|2,0,0]=3 808 B12R1.354 CNC(=O)c1cc(ccc1I)I 11a_106832991635_100000750460 [0,1,0,0,0,0|2,0,0]=3 809 B12R1.354 CNC(=O)c1cc(ccc1I)I 1626a_100102657272_100000750460 [0,1,0,0,0,0|2,0,0]=3 810 B12R1.354 CNC(=O)c1cc(ccc1I)I 240690a_100102657272_100000750460 [0,1,0,0,0,0|2,0,0]=3 811 B12R1.354 CNC(=O)c1cc(ccc1I)I 527a_100102657272_100000750460 [0,1,0,0,0,0|2,0,0]=3 812 B12R1.354 CNC(=O)c1cc(ccc1I)O 1626a_100102657272_200009995701 [0,1,0,0,0,0|2,0,0]=3 813 B12R1.354 CNC(=O)c1cc(ccc1I)O 240690a_100102657272_200009995701 [0,1,0,0,0,0|2,0,0]=3 814 B12R1.354 CNC(=O)c1cc(ccc1I)O 527a_100102657272_200009995701 [0,1,0,0,0,0|2,0,0]=3 815 B12R1.354 CNC(=O)c1cc(ccc1N)O 271570a_203496583355_100000690504 [0,1,0,0,0,0|2,0,0]=3 816 B12R1.354 CNC(=O)c1cc(ccc1O)Br 1626a_100102657272_100000212140 [0,1,0,0,0,0|1,0,0]=2 817 B12R1.354 CNC(=O)c1cc(ccc1O)Br 240690a_100102657272_100000212140 [0,1,0,0,0,0|1,0,0]=2 818 B12R1.354 CNC(=O)c1cc(ccc1O)Br 527a_100102657272_100000212140 [0,1,0,0,0,0|1,0,0]=2 819 B12R1.354 CNC(=O)c1cc(ccc1O)C 240690a_100102657272_100000229998 [0,1,0,0,0,0|1,0,0]=2 820 B12R1.354 CNC(=O)c1cc(ccc1O)C 527a_100102657272_100000229998 [0,1,0,0,0,0|1,0,0]=2 821 B12R1.354 CNC(=O)c1cc(ccc1O)Cl 11a_106832991635_100000212143 [0,1,0,0,0,0|1,0,0]=2 822 B12R1.354 CNC(=O)c1cc(ccc1O)Cl 1626a_100102657272_100000212143 [0,1,0,0,0,0|1,0,0]=2 823 B12R1.354 CNC(=O)c1cc(ccc1O)Cl 240690a_100102657272_100000212143 [0,1,0,0,0,0|1,0,0]=2 824 B12R1.354 CNC(=O)c1cc(ccc1O)Cl 271570a_203496583355_200011279454 [0,1,0,0,0,0|1,0,0]=2 825 B12R1.354 CNC(=O)c1cc(ccc1O)Cl 527a_100102657272_100000212143 [0,1,0,0,0,0|1,0,0]=2 826 B12R1.354 CNC(=O)c1cc(ccc1O)F 240690a_100102657272_100000742286 [0,1,0,0,0,0|1,0,0]=2 827 B12R1.354 CNC(=O)c1cc(ccc1O)F 271570a_203496583355_200000206232 [0,1,0,0,0,0|1,0,0]=2 828 B12R1.354 CNC(=O)c1cc(ccc1O)F 527a_100102657272_100000742286 [0,1,0,0,0,0|1,0,0]=2 829 B12R1.354 CNC(=O)c1cc(ccc1O)I 240690a_100102657272_100000212111 [0,1,0,0,0,0|1,0,0]=2 830 B12R1.354 CNC(=O)c1cc(ccc1O)I 527a_100102657272_100000212111 [0,1,0,0,0,0|1,0,0]=2 831 B12R1.354 CNC(C)c1cc(ccc1O)Br 269862a_106832991636_100000212127 [0,1,0,0,0,0|2,0,1]=4 832 B12R1.354 CNC(C)c1cc(ccc1O)C 269862a_106832991636_100000195442 [0,1,0,0,0,0|2,0,1]=4 833 B12R1.354 CNC(C)c1cc(ccc1O)Cl 269862a_106832991636_100000185566 [0,1,0,0,0,0|2,0,1]=4 834 B12R1.354 CNC(C)c1cc(ccc1O)F 269862a_106832991636_100000182812 [0,1,0,0,0,0|2,0,1]=4 835 B12R1.354 CNC(C)c1cc(ccc1O)I 269862a_106832991636_100010712555 [0,1,0,0,0,0|2,0,1]=4 836 B12R1.354 CN[C@@H](C)c1cc(ccc1O)F 2230a_100160469477_200000210301 [0,1,0,0,0,0|2,0,1]=4 837 B12R1.354 CN[C@@H](C)c1cc(ccc1O)F 34a_100160469477_200000210301 [0,1,0,0,0,0|2,0,1]=4 838 B12R1.354 CN[C@H](C)c1cc(ccc1O)Cl 2230a_100011853016_200000210301 [0,1,0,0,0,0|2,0,1]=4 839 B12R1.354 CN[C@H](C)c1cc(ccc1O)Cl 34a_100011853016_200000210301 [0,1,0,0,0,0|2,0,1]=4 840 B12R1.354 COC(=O)c1cc(ccc1Br)O 271570a_203496583355_100012340073 [0,1,0,0,0,0|3,0,0]=4 841 B12R1.354 COC(=O)c1cc(ccc1C)O 271570a_203496583355_100012360116 [0,1,0,0,0,0|3,0,0]=4 842 B12R1.354 COC(=O)c1cc(ccc1Cl)O 271570a_203496583355_100012353682 [0,1,0,0,0,0|3,0,0]=4 843 B12R1.354 COC(=O)c1cc(ccc1F)O 271570a_203496583355_100000154357 [0,1,0,0,0,0|3,0,0]=4 844 B12R1.354 COC(=O)c1cc(ccc1N)O 271570a_203496583355_100000212070 [0,1,0,0,0,0|3,0,0]=4 845 B12R1.354 COC(=O)c1cc(ccc1O)Br 271570a_203496583355_100000148213 [0,1,0,0,0,0|2,0,0]=3 846 B12R1.354 COC(=O)c1cc(ccc1O)C 271570a_203496583355_100012339458 [0,1,0,0,0,0|2,0,0]=3 847 B12R1.354 COC(=O)c1cc(ccc1O)Cl 271570a_203496583355_100011294804 [0,1,0,0,0,0|2,0,0]=3 848 B12R1.354 COC(=O)c1cc(ccc1O)F 271570a_203496583355_100000205820 [0,1,0,0,0,0|2,0,0]=3 849 B12R1.354 COC(=O)c1cc(ccc1O)N 271570a_203496583355_100000696289 [0,1,0,0,0,0|2,0,0]=3 850 B12R1.354 COC(=O)c1cc(ccc1O)O 271570a_203496583355_100000149868 [0,1,0,0,0,0|2,0,0]=3 851 B12R1.354 COC(=O)c1cc(ccc1O)O 271570a_203496583355_100010230369 [0,1,0,0,0,0|2,0,0]=3 852 B12R1.354 COC(=O)c1cc(cnc1O)C 271570a_203496583355_100000085774 [0,1,0,0,0,0|3,0,0]=4 853 B12R1.354 COC(=O)c1cc(cnc1O)F 271570a_203496583355_100012000215 [0,1,0,0,0,0|3,0,0]=4 854 B12R1.354 COC(=O)c1cc(cnc1O)N 271570a_203496583355_200012182668 [0,1,0,0,0,0|3,0,0]=4 855 B12R1.354 COC(=O)c1cc(ncc1O)N 271570a_203496583355_100011934820 [0,1,0,0,0,0|3,0,0]=4 856 B12R1.354 COC(=O)c1cc(ncc1O)O 271570a_203496583355_100009816900 [0,1,0,0,0,0|3,0,0]=4 857 B12R1.354 COC(=O)c1cc(ncc1O)O 271570a_203496583355_100010136202 [0,1,0,0,0,0|3,0,0]=4 858 B12R1.354 COC(=O)c1nc(ccc1O)N 271570a_203496583355_100009816986 [0,1,0,0,0,0|3,0,0]=4 859 B12R1.354 COC(=O)c1nc(ccc1O)O 271570a_203496583355_100000697862 [0,1,0,0,0,0|3,0,0]=4 860 B12R1.354 COC(=O)c1nc(ccc1O)O 271570a_203496583355_100010189638 [0,1,0,0,0,0|3,0,0]=4 861 B12R1.354 C[C@@H](N[13CH3])c1cc(ccc1O)Cl 2230a_100011853016_200025704644 [0,1,0,0,0,0|2,0,1]=4 862 B12R1.354 C[C@@H](N[13CH3])c1cc(ccc1O)Cl 34a_100011853016_200025704644 [0,1,0,0,0,0|2,0,1]=4 863 B12R1.354 C[C@H](N[13CH3])c1cc(ccc1O)F 2230a_100160469477_200025704644 [0,1,0,0,0,0|2,0,1]=4 864 B12R1.354 C[C@H](N[13CH3])c1cc(ccc1O)F 34a_100160469477_200025704644 [0,1,0,0,0,0|2,0,1]=4 865 B12R1.354 Cc1ccc(c(c1)C(=O)CF)Br 1458a_100000689033_100015361967 [0,1,0,0,0,0|3,0,0]=4 866 B12R1.354 Cc1ccc(c(c1)C(=O)CF)C 1458a_100000195421_100015361967 [0,1,0,0,0,0|3,0,0]=4 867 B12R1.354 Cc1ccc(c(c1)C(=O)CF)Cl 1458a_100011290873_100015361967 [0,1,0,0,0,0|3,0,0]=4 868 B12R1.354 Cc1ccc(c(c1)C(=O)CF)F 1458a_100000749327_100015361967 [0,1,0,0,0,0|3,0,0]=4 869 B12R1.354 Cc1ccc(c(c1)C(=O)CF)I 1458a_100000057929_100015361967 [0,1,0,0,0,0|3,0,0]=4 870 B12R1.354 Cc1ccc(c(c1)C(=O)CF)O 1458a_100000229998_100015361967 [0,1,0,0,0,0|2,0,0]=3 871 B12R1.354 Cc1ccc(cc1C(=O)CF)Br 1458a_100000759961_100015361967 [0,1,0,0,0,0|3,0,0]=4 872 B12R1.354 Cc1ccc(cc1C(=O)CF)Cl 1458a_100000692595_100015361967 [0,1,0,0,0,0|3,0,0]=4 873 B12R1.354 Cc1ccc(cc1C(=O)CF)F 1458a_100000240043_100015361967 [0,1,0,0,0,0|3,0,0]=4 874 B12R1.354 Cc1ccc(cc1C(=O)CF)I 1458a_100000688012_100015361967 [0,1,0,0,0,0|3,0,0]=4 875 B12R1.354 Cc1ccc(cc1C(=O)CF)O 1458a_100000687834_100015361967 [0,1,0,0,0,0|3,0,0]=4 876 B12R1.354 NNC(=O)c1cc(ccc1Br)O 271570a_203496583355_200011356971 [0,1,0,0,0,0|2,0,0]=3 877 B12R1.354 NNC(=O)c1cc(ccc1Cl)O 271570a_203496583355_200000049959 [0,1,0,0,0,0|2,0,0]=3 878 B12R1.354 NNC(=O)c1cc(ccc1O)F 271570a_203496583355_100000205862 [0,1,0,0,0,0|1,0,0]=2 879 B12R1.354 NNC(=O)c1cc(ccc1O)O 271570a_203496583355_100000193350 [0,1,0,0,0,0|1,0,0]=2 880 B12R1.354 O=C(CF)c1cc(ccc1Br)Br 1458a_100000690610_100015361967 [0,1,0,0,0,0|3,0,0]=4 881 B12R1.354 O=C(CF)c1cc(ccc1Br)Cl 1458a_100000736951_100015361967 [0,1,0,0,0,0|3,0,0]=4 882 B12R1.354 O=C(CF)c1cc(ccc1Br)F 1458a_100000212315_100015361967 [0,1,0,0,0,0|3,0,0]=4 883 B12R1.354 O=C(CF)c1cc(ccc1Br)I 1458a_100000698340_100015361967 [0,1,0,0,0,0|3,0,0]=4 884 B12R1.354 O=C(CF)c1cc(ccc1Br)O 1458a_100012352043_100015361967 [0,1,0,0,0,0|3,0,0]=4 885 B12R1.354 O=C(CF)c1cc(ccc1Cl)Br 1458a_100000211212_100015361967 [0,1,0,0,0,0|3,0,0]=4 886 B12R1.354 O=C(CF)c1cc(ccc1Cl)Cl 1458a_100000210642_100015361967 [0,1,0,0,0,0|3,0,0]=4 887 B12R1.354 O=C(CF)c1cc(ccc1Cl)F 1458a_100011219680_100015361967 [0,1,0,0,0,0|3,0,0]=4 888 B12R1.354 O=C(CF)c1cc(ccc1Cl)I 1458a_100000688013_100015361967 [0,1,0,0,0,0|3,0,0]=4 889 B12R1.354 O=C(CF)c1cc(ccc1Cl)O 1458a_100000719527_100015361967 [0,1,0,0,0,0|3,0,0]=4 890 B12R1.354 O=C(CF)c1cc(ccc1F)Br 1458a_100000212322_100015361967 [0,1,0,0,0,0|3,0,0]=4 891 B12R1.354 O=C(CF)c1cc(ccc1F)Cl 1458a_100000214954_100015361967 [0,1,0,0,0,0|3,0,0]=4 892 B12R1.354 O=C(CF)c1cc(ccc1F)F 1458a_100000198512_100015361967 [0,1,0,0,0,0|3,0,0]=4 893 B12R1.354 O=C(CF)c1cc(ccc1F)I 1458a_100000688014_100015361967 [0,1,0,0,0,0|3,0,0]=4 894 B12R1.354 O=C(CF)c1cc(ccc1F)O 1458a_100000037260_100015361967 [0,1,0,0,0,0|3,0,0]=4 895 B12R1.354 O=C(CF)c1cc(ccc1I)Br 1458a_100000183945_100015361967 [0,1,0,0,0,0|3,0,0]=4 896 B12R1.354 O=C(CF)c1cc(ccc1I)Cl 1458a_100000739379_100015361967 [0,1,0,0,0,0|3,0,0]=4 897 B12R1.354 O=C(CF)c1cc(ccc1I)F 1458a_100000748905_100015361967 [0,1,0,0,0,0|3,0,0]=4 898 B12R1.354 O=C(CF)c1cc(ccc1I)I 1458a_100000750460_100015361967 [0,1,0,0,0,0|3,0,0]=4 899 B12R1.354 O=C(CF)c1cc(ccc1I)O 1458a_200009995701_100015361967 [0,1,0,0,0,0|3,0,0]=4 900 B12R1.354 O=C(CF)c1cc(ccc1O)Br 1458a_100000212140_100015361967 [0,1,0,0,0,0|2,0,0]=3 901 B12R1.354 O=C(CF)c1cc(ccc1O)Cl 1458a_100000212143_100015361967 [0,1,0,0,0,0|2,0,0]=3 902 B12R1.354 O=C(CF)c1cc(ccc1O)F 1458a_100000742286_100015361967 [0,1,0,0,0,0|2,0,0]=3 903 B12R1.354 O=C(CF)c1cc(ccc1O)I 1458a_100000212111_100015361967 [0,1,0,0,0,0|2,0,0]=3 904 B12R1.354 O=C(CF)c1cc(ccc1O)O 1458a_100000758025_100015361967 [0,1,0,0,0,0|2,0,0]=3 905 B12R1.1703 CCC(=O)c1ccc(cc1Br)Br 1458a_100000762965_100000210202 [0,1,0,0,0,0|3,0,0]=4 906 B12R1.1703 CCC(=O)c1ccc(cc1Br)C 1458a_100000685072_100000210202 [0,1,0,0,0,0|3,0,0]=4 907 B12R1.1703 CCC(=O)c1ccc(cc1Br)Cl 1458a_100000766353_100000210202 [0,1,0,0,0,0|3,0,0]=4 908 B12R1.1703 CCC(=O)c1ccc(cc1Br)F 1458a_100000212304_100000210202 [0,1,0,0,0,0|3,0,0]=4 909 B12R1.1703 CCC(=O)c1ccc(cc1Br)I 1458a_100012360512_100000210202 [0,1,0,0,0,0|3,0,0]=4 910 B12R1.1703 CCC(=O)c1ccc(cc1Br)O 1458a_100012344906_100000210202 [0,1,0,0,0,0|3,0,0]=4 911 B12R1.1703 CCC(=O)c1ccc(cc1C)Br 1458a_100000741311_100000210202 [0,1,0,0,0,0|3,0,0]=4 912 B12R1.1703 CCC(=O)c1ccc(cc1C)C 1458a_100000211164_100000210202 [0,1,0,0,0,0|3,0,0]=4 913 B12R1.1703 CCC(=O)c1ccc(cc1C)Cl 1458a_100000688705_100000210202 [0,1,0,0,0,0|3,0,0]=4 914 B12R1.1703 CCC(=O)c1ccc(cc1C)F 1458a_100000686989_100000210202 [0,1,0,0,0,0|3,0,0]=4 915 B12R1.1703 CCC(=O)c1ccc(cc1C)I 1458a_100010189873_100000210202 [0,1,0,0,0,0|3,0,0]=4 916 B12R1.1703 CCC(=O)c1ccc(cc1C)O 1458a_100000692822_100000210202 [0,1,0,0,0,0|3,0,0]=4 917 B12R1.1703 CCC(=O)c1ccc(cc1C)O 271570a_203496583355_200012361375 [0,1,0,0,0,0|3,0,0]=4 918 B12R1.1703 CCC(=O)c1ccc(cc1Cl)Br 1458a_100000741628_100000210202 [0,1,0,0,0,0|3,0,0]=4 919 B12R1.1703 CCC(=O)c1ccc(cc1Cl)C 1458a_100000766932_100000210202 [0,1,0,0,0,0|3,0,0]=4 920 B12R1.1703 CCC(=O)c1ccc(cc1Cl)Cl 1458a_100000185840_100000210202 [0,1,0,0,0,0|3,0,0]=4 921 B12R1.1703 CCC(=O)c1ccc(cc1Cl)F 1458a_100000211397_100000210202 [0,1,0,0,0,0|3,0,0]=4 922 B12R1.1703 CCC(=O)c1ccc(cc1Cl)I 1458a_100000751301_100000210202 [0,1,0,0,0,0|3,0,0]=4 923 B12R1.1703 CCC(=O)c1ccc(cc1Cl)O 1458a_100000702456_100000210202 [0,1,0,0,0,0|3,0,0]=4 924 B12R1.1703 CCC(=O)c1ccc(cc1F)Br 1458a_100000214689_100000210202 [0,1,0,0,0,0|3,0,0]=4 925 B12R1.1703 CCC(=O)c1ccc(cc1F)C 1458a_100000766033_100000210202 [0,1,0,0,0,0|3,0,0]=4 926 B12R1.1703 CCC(=O)c1ccc(cc1F)Cl 1458a_100000212326_100000210202 [0,1,0,0,0,0|3,0,0]=4 927 B12R1.1703 CCC(=O)c1ccc(cc1F)F 1458a_100000211022_100000210202 [0,1,0,0,0,0|3,0,0]=4 928 B12R1.1703 CCC(=O)c1ccc(cc1F)I 1458a_100000037189_100000210202 [0,1,0,0,0,0|3,0,0]=4 929 B12R1.1703 CCC(=O)c1ccc(cc1F)O 1458a_100000689029_100000210202 [0,1,0,0,0,0|3,0,0]=4 930 B12R1.1703 CCC(=O)c1ccc(cc1F)O 271570a_203496583355_100012360378 [0,1,0,0,0,0|3,0,0]=4 931 B12R1.1703 CCC(=O)c1ccc(cc1I)Br 1458a_100000751167_100000210202 [0,1,0,0,0,0|3,0,0]=4 932 B12R1.1703 CCC(=O)c1ccc(cc1I)C 1458a_100009999607_100000210202 [0,1,0,0,0,0|3,0,0]=4 933 B12R1.1703 CCC(=O)c1ccc(cc1I)Cl 1458a_100000739380_100000210202 [0,1,0,0,0,0|3,0,0]=4 934 B12R1.1703 CCC(=O)c1ccc(cc1I)F 1458a_100000739341_100000210202 [0,1,0,0,0,0|3,0,0]=4 935 B12R1.1703 CCC(=O)c1ccc(cc1O)Br 1458a_100000744433_100000210202 [0,1,0,0,0,0|2,0,0]=3 936 B12R1.1703 CCC(=O)c1ccc(cc1O)C 1458a_100000212137_100000210202 [0,1,0,0,0,0|2,0,0]=3 937 B12R1.1703 CCC(=O)c1ccc(cc1O)C 271570a_203496583355_200012349623 [0,1,0,0,0,0|2,0,0]=3 938 B12R1.1703 CCC(=O)c1ccc(cc1O)Cl 1458a_100000188622_100000210202 [0,1,0,0,0,0|2,0,0]=3 939 B12R1.1703 CCC(=O)c1ccc(cc1O)F 1458a_100000746061_100000210202 [0,1,0,0,0,0|2,0,0]=3 940 B12R1.1703 CCC(=O)c1ccc(cc1O)I 1458a_100000091984_100000210202 [0,1,0,0,0,0|2,0,0]=3 941 B12R1.1703 CCC(=O)c1ccc(cc1O)O 1458a_100000212172_100000210202 [0,1,0,0,0,0|2,0,0]=3 942 B12R1.1703 CNC(=O)c1ccc(cc1Br)Br 11a_106832991635_100000762965 [0,1,0,0,0,0|2,0,0]=3 943 B12R1.1703 CNC(=O)c1ccc(cc1Br)Br 1626a_100102657272_100000762965 [0,1,0,0,0,0|2,0,0]=3 944 B12R1.1703 CNC(=O)c1ccc(cc1Br)Br 240690a_100102657272_100000762965 [0,1,0,0,0,0|2,0,0]=3 945 B12R1.1703 CNC(=O)c1ccc(cc1Br)Br 527a_100102657272_100000762965 [0,1,0,0,0,0|2,0,0]=3 946 B12R1.1703 CNC(=O)c1ccc(cc1Br)C 11a_106832991635_100000685072 [0,1,0,0,0,0|2,0,0]=3 947 B12R1.1703 CNC(=O)c1ccc(cc1Br)C 1626a_100102657272_100000685072 [0,1,0,0,0,0|2,0,0]=3 948 B12R1.1703 CNC(=O)c1ccc(cc1Br)C 240690a_100102657272_100000685072 [0,1,0,0,0,0|2,0,0]=3 949 B12R1.1703 CNC(=O)c1ccc(cc1Br)C 527a_100102657272_100000685072 [0,1,0,0,0,0|2,0,0]=3 950 B12R1.1703 CNC(=O)c1ccc(cc1Br)Cl 11a_106832991635_100000766353 [0,1,0,0,0,0|2,0,0]=3 951 B12R1.1703 CNC(=O)c1ccc(cc1Br)Cl 1626a_100102657272_100000766353 [0,1,0,0,0,0|2,0,0]=3 952 B12R1.1703 CNC(=O)c1ccc(cc1Br)Cl 240690a_100102657272_100000766353 [0,1,0,0,0,0|2,0,0]=3 953 B12R1.1703 CNC(=O)c1ccc(cc1Br)Cl 527a_100102657272_100000766353 [0,1,0,0,0,0|2,0,0]=3 954 B12R1.1703 CNC(=O)c1ccc(cc1Br)F 11a_106832991635_100000212304 [0,1,0,0,0,0|2,0,0]=3 955 B12R1.1703 CNC(=O)c1ccc(cc1Br)F 1626a_100102657272_100000212304 [0,1,0,0,0,0|2,0,0]=3 956 B12R1.1703 CNC(=O)c1ccc(cc1Br)F 240690a_100102657272_100000212304 [0,1,0,0,0,0|2,0,0]=3 957 B12R1.1703 CNC(=O)c1ccc(cc1Br)F 527a_100102657272_100000212304 [0,1,0,0,0,0|2,0,0]=3 958 B12R1.1703 CNC(=O)c1ccc(cc1Br)I 11a_106832991635_100012360512 [0,1,0,0,0,0|2,0,0]=3 959 B12R1.1703 CNC(=O)c1ccc(cc1Br)I 1626a_100102657272_100012360512 [0,1,0,0,0,0|2,0,0]=3 960 B12R1.1703 CNC(=O)c1ccc(cc1Br)I 240690a_100102657272_100012360512 [0,1,0,0,0,0|2,0,0]=3 961 B12R1.1703 CNC(=O)c1ccc(cc1Br)I 527a_100102657272_100012360512 [0,1,0,0,0,0|2,0,0]=3 962 B12R1.1703 CNC(=O)c1ccc(cc1Br)O 240690a_100102657272_100012344906 [0,1,0,0,0,0|2,0,0]=3 963 B12R1.1703 CNC(=O)c1ccc(cc1Br)O 527a_100102657272_100012344906 [0,1,0,0,0,0|2,0,0]=3 964 B12R1.1703 CNC(=O)c1ccc(cc1C)Br 11a_106832991635_100000741311 [0,1,0,0,0,0|2,0,0]=3 965 B12R1.1703 CNC(=O)c1ccc(cc1C)Br 1626a_100102657272_100000741311 [0,1,0,0,0,0|2,0,0]=3 966 B12R1.1703 CNC(=O)c1ccc(cc1C)Br 240690a_100102657272_100000741311 [0,1,0,0,0,0|2,0,0]=3 967 B12R1.1703 CNC(=O)c1ccc(cc1C)Br 527a_100102657272_100000741311 [0,1,0,0,0,0|2,0,0]=3 968 B12R1.1703 CNC(=O)c1ccc(cc1C)C 11a_106832991635_100000211164 [0,1,0,0,0,0|2,0,0]=3 969 B12R1.1703 CNC(=O)c1ccc(cc1C)C 1626a_100102657272_100000211164 [0,1,0,0,0,0|2,0,0]=3 970 B12R1.1703 CNC(=O)c1ccc(cc1C)C 240690a_100102657272_100000211164 [0,1,0,0,0,0|2,0,0]=3 971 B12R1.1703 CNC(=O)c1ccc(cc1C)C 527a_100102657272_100000211164 [0,1,0,0,0,0|2,0,0]=3 972 B12R1.1703 CNC(=O)c1ccc(cc1C)Cl 11a_106832991635_100000688705 [0,1,0,0,0,0|2,0,0]=3 973 B12R1.1703 CNC(=O)c1ccc(cc1C)Cl 1626a_100102657272_100000688705 [0,1,0,0,0,0|2,0,0]=3 974 B12R1.1703 CNC(=O)c1ccc(cc1C)Cl 240690a_100102657272_100000688705 [0,1,0,0,0,0|2,0,0]=3 975 B12R1.1703 CNC(=O)c1ccc(cc1C)Cl 527a_100102657272_100000688705 [0,1,0,0,0,0|2,0,0]=3 976 B12R1.1703 CNC(=O)c1ccc(cc1C)F 11a_106832991635_100000686989 [0,1,0,0,0,0|2,0,0]=3 977 B12R1.1703 CNC(=O)c1ccc(cc1C)F 1626a_100102657272_100000686989 [0,1,0,0,0,0|2,0,0]=3 978 B12R1.1703 CNC(=O)c1ccc(cc1C)F 240690a_100102657272_100000686989 [0,1,0,0,0,0|2,0,0]=3 979 B12R1.1703 CNC(=O)c1ccc(cc1C)F 527a_100102657272_100000686989 [0,1,0,0,0,0|2,0,0]=3 980 B12R1.1703 CNC(=O)c1ccc(cc1C)I 11a_106832991635_100010189873 [0,1,0,0,0,0|2,0,0]=3 981 B12R1.1703 CNC(=O)c1ccc(cc1C)I 1626a_100102657272_100010189873 [0,1,0,0,0,0|2,0,0]=3 982 B12R1.1703 CNC(=O)c1ccc(cc1C)I 240690a_100102657272_100010189873 [0,1,0,0,0,0|2,0,0]=3 983 B12R1.1703 CNC(=O)c1ccc(cc1C)I 527a_100102657272_100010189873 [0,1,0,0,0,0|2,0,0]=3 984 B12R1.1703 CNC(=O)c1ccc(cc1C)O 240690a_100102657272_100000692822 [0,1,0,0,0,0|2,0,0]=3 985 B12R1.1703 CNC(=O)c1ccc(cc1C)O 527a_100102657272_100000692822 [0,1,0,0,0,0|2,0,0]=3 986 B12R1.1703 CNC(=O)c1ccc(cc1Cl)Br 11a_106832991635_100000741628 [0,1,0,0,0,0|2,0,0]=3 987 B12R1.1703 CNC(=O)c1ccc(cc1Cl)Br 1626a_100102657272_100000741628 [0,1,0,0,0,0|2,0,0]=3 988 B12R1.1703 CNC(=O)c1ccc(cc1Cl)Br 240690a_100102657272_100000741628 [0,1,0,0,0,0|2,0,0]=3 989 B12R1.1703 CNC(=O)c1ccc(cc1Cl)Br 527a_100102657272_100000741628 [0,1,0,0,0,0|2,0,0]=3 990 B12R1.1703 CNC(=O)c1ccc(cc1Cl)C 11a_106832991635_100000766932 [0,1,0,0,0,0|2,0,0]=3 991 B12R1.1703 CNC(=O)c1ccc(cc1Cl)C 1626a_100102657272_100000766932 [0,1,0,0,0,0|2,0,0]=3 992 B12R1.1703 CNC(=O)c1ccc(cc1Cl)C 240690a_100102657272_100000766932 [0,1,0,0,0,0|2,0,0]=3 993 B12R1.1703 CNC(=O)c1ccc(cc1Cl)C 527a_100102657272_100000766932 [0,1,0,0,0,0|2,0,0]=3 994 B12R1.1703 CNC(=O)c1ccc(cc1Cl)Cl 11a_106832991635_100000185840 [0,1,0,0,0,0|2,0,0]=3 995 B12R1.1703 CNC(=O)c1ccc(cc1Cl)Cl 1626a_100102657272_100000185840 [0,1,0,0,0,0|2,0,0]=3 996 B12R1.1703 CNC(=O)c1ccc(cc1Cl)Cl 240690a_100102657272_100000185840 [0,1,0,0,0,0|2,0,0]=3 997 B12R1.1703 CNC(=O)c1ccc(cc1Cl)Cl 527a_100102657272_100000185840 [0,1,0,0,0,0|2,0,0]=3 998 B12R1.1703 CNC(=O)c1ccc(cc1Cl)F 11a_106832991635_100000211397 [0,1,0,0,0,0|2,0,0]=3 999 B12R1.1703 CNC(=O)c1ccc(cc1Cl)F 1626a_100102657272_100000211397 [0,1,0,0,0,0|2,0,0]=3 1000 B12R1.1703 CNC(=O)c1ccc(cc1Cl)F 240690a_100102657272_100000211397 [0,1,0,0,0,0|2,0,0]=3 1001 B12R1.1703 CNC(=O)c1ccc(cc1Cl)F 527a_100102657272_100000211397 [0,1,0,0,0,0|2,0,0]=3 1002 B12R1.1703 CNC(=O)c1ccc(cc1Cl)I 11a_106832991635_100000751301 [0,1,0,0,0,0|2,0,0]=3 1003 B12R1.1703 CNC(=O)c1ccc(cc1Cl)I 1626a_100102657272_100000751301 [0,1,0,0,0,0|2,0,0]=3 1004 B12R1.1703 CNC(=O)c1ccc(cc1Cl)I 240690a_100102657272_100000751301 [0,1,0,0,0,0|2,0,0]=3 1005 B12R1.1703 CNC(=O)c1ccc(cc1Cl)I 527a_100102657272_100000751301 [0,1,0,0,0,0|2,0,0]=3 1006 B12R1.1703 CNC(=O)c1ccc(cc1Cl)O 240690a_100102657272_100000702456 [0,1,0,0,0,0|2,0,0]=3 1007 B12R1.1703 CNC(=O)c1ccc(cc1Cl)O 527a_100102657272_100000702456 [0,1,0,0,0,0|2,0,0]=3 1008 B12R1.1703 CNC(=O)c1ccc(cc1F)Br 11a_106832991635_100000214689 [0,1,0,0,0,0|2,0,0]=3 1009 B12R1.1703 CNC(=O)c1ccc(cc1F)Br 1626a_100102657272_100000214689 [0,1,0,0,0,0|2,0,0]=3 1010 B12R1.1703 CNC(=O)c1ccc(cc1F)Br 240690a_100102657272_100000214689 [0,1,0,0,0,0|2,0,0]=3 1011 B12R1.1703 CNC(=O)c1ccc(cc1F)Br 527a_100102657272_100000214689 [0,1,0,0,0,0|2,0,0]=3 1012 B12R1.1703 CNC(=O)c1ccc(cc1F)C 11a_106832991635_100000766033 [0,1,0,0,0,0|2,0,0]=3 1013 B12R1.1703 CNC(=O)c1ccc(cc1F)C 1626a_100102657272_100000766033 [0,1,0,0,0,0|2,0,0]=3 1014 B12R1.1703 CNC(=O)c1ccc(cc1F)C 240690a_100102657272_100000766033 [0,1,0,0,0,0|2,0,0]=3 1015 B12R1.1703 CNC(=O)c1ccc(cc1F)C 527a_100102657272_100000766033 [0,1,0,0,0,0|2,0,0]=3 1016 B12R1.1703 CNC(=O)c1ccc(cc1F)Cl 11a_106832991635_100000212326 [0,1,0,0,0,0|2,0,0]=3 1017 B12R1.1703 CNC(=O)c1ccc(cc1F)Cl 1626a_100102657272_100000212326 [0,1,0,0,0,0|2,0,0]=3 1018 B12R1.1703 CNC(=O)c1ccc(cc1F)Cl 240690a_100102657272_100000212326 [0,1,0,0,0,0|2,0,0]=3 1019 B12R1.1703 CNC(=O)c1ccc(cc1F)Cl 527a_100102657272_100000212326 [0,1,0,0,0,0|2,0,0]=3 1020 B12R1.1703 CNC(=O)c1ccc(cc1F)F 11a_106832991635_100000211022 [0,1,0,0,0,0|2,0,0]=3 1021 B12R1.1703 CNC(=O)c1ccc(cc1F)F 1626a_100102657272_100000211022 [0,1,0,0,0,0|2,0,0]=3 1022 B12R1.1703 CNC(=O)c1ccc(cc1F)F 240690a_100102657272_100000211022 [0,1,0,0,0,0|2,0,0]=3 1023 B12R1.1703 CNC(=O)c1ccc(cc1F)F 527a_100102657272_100000211022 [0,1,0,0,0,0|2,0,0]=3 1024 B12R1.1703 CNC(=O)c1ccc(cc1F)I 11a_106832991635_100000037189 [0,1,0,0,0,0|2,0,0]=3 1025 B12R1.1703 CNC(=O)c1ccc(cc1F)I 1626a_100102657272_100000037189 [0,1,0,0,0,0|2,0,0]=3 1026 B12R1.1703 CNC(=O)c1ccc(cc1F)I 240690a_100102657272_100000037189 [0,1,0,0,0,0|2,0,0]=3 1027 B12R1.1703 CNC(=O)c1ccc(cc1F)I 527a_100102657272_100000037189 [0,1,0,0,0,0|2,0,0]=3 1028 B12R1.1703 CNC(=O)c1ccc(cc1F)O 240690a_100102657272_100000689029 [0,1,0,0,0,0|2,0,0]=3 1029 B12R1.1703 CNC(=O)c1ccc(cc1F)O 271570a_203496583355_100000233932 [0,1,0,0,0,0|2,0,0]=3 1030 B12R1.1703 CNC(=O)c1ccc(cc1F)O 527a_100102657272_100000689029 [0,1,0,0,0,0|2,0,0]=3 1031 B12R1.1703 CNC(=O)c1ccc(cc1I)Br 11a_106832991635_100000751167 [0,1,0,0,0,0|2,0,0]=3 1032 B12R1.1703 CNC(=O)c1ccc(cc1I)Br 1626a_100102657272_100000751167 [0,1,0,0,0,0|2,0,0]=3 1033 B12R1.1703 CNC(=O)c1ccc(cc1I)Br 240690a_100102657272_100000751167 [0,1,0,0,0,0|2,0,0]=3 1034 B12R1.1703 CNC(=O)c1ccc(cc1I)Br 527a_100102657272_100000751167 [0,1,0,0,0,0|2,0,0]=3 1035 B12R1.1703 CNC(=O)c1ccc(cc1I)C 11a_106832991635_100009999607 [0,1,0,0,0,0|2,0,0]=3 1036 B12R1.1703 CNC(=O)c1ccc(cc1I)C 1626a_100102657272_100009999607 [0,1,0,0,0,0|2,0,0]=3 1037 B12R1.1703 CNC(=O)c1ccc(cc1I)C 240690a_100102657272_100009999607 [0,1,0,0,0,0|2,0,0]=3 1038 B12R1.1703 CNC(=O)c1ccc(cc1I)C 527a_100102657272_100009999607 [0,1,0,0,0,0|2,0,0]=3 1039 B12R1.1703 CNC(=O)c1ccc(cc1I)Cl 11a_106832991635_100000739380 [0,1,0,0,0,0|2,0,0]=3 1040 B12R1.1703 CNC(=O)c1ccc(cc1I)Cl 1626a_100102657272_100000739380 [0,1,0,0,0,0|2,0,0]=3 1041 B12R1.1703 CNC(=O)c1ccc(cc1I)Cl 240690a_100102657272_100000739380 [0,1,0,0,0,0|2,0,0]=3 1042 B12R1.1703 CNC(=O)c1ccc(cc1I)Cl 527a_100102657272_100000739380 [0,1,0,0,0,0|2,0,0]=3 1043 B12R1.1703 CNC(=O)c1ccc(cc1I)F 11a_106832991635_100000739341 [0,1,0,0,0,0|2,0,0]=3 1044 B12R1.1703 CNC(=O)c1ccc(cc1I)F 1626a_100102657272_100000739341 [0,1,0,0,0,0|2,0,0]=3 1045 B12R1.1703 CNC(=O)c1ccc(cc1I)F 240690a_100102657272_100000739341 [0,1,0,0,0,0|2,0,0]=3 1046 B12R1.1703 CNC(=O)c1ccc(cc1I)F 527a_100102657272_100000739341 [0,1,0,0,0,0|2,0,0]=3 1047 B12R1.1703 CNC(=O)c1ccc(cc1O)Br 240690a_100102657272_100000744433 [0,1,0,0,0,0|1,0,0]=2 1048 B12R1.1703 CNC(=O)c1ccc(cc1O)Br 527a_100102657272_100000744433 [0,1,0,0,0,0|1,0,0]=2 1049 B12R1.1703 CNC(=O)c1ccc(cc1O)C 1626a_100102657272_100000212137 [0,1,0,0,0,0|1,0,0]=2 1050 B12R1.1703 CNC(=O)c1ccc(cc1O)C 240690a_100102657272_100000212137 [0,1,0,0,0,0|1,0,0]=2 1051 B12R1.1703 CNC(=O)c1ccc(cc1O)C 527a_100102657272_100000212137 [0,1,0,0,0,0|1,0,0]=2 1052 B12R1.1703 CNC(=O)c1ccc(cc1O)Cl 11a_106832991635_100000188622 [0,1,0,0,0,0|1,0,0]=2 1053 B12R1.1703 CNC(=O)c1ccc(cc1O)Cl 240690a_100102657272_100000188622 [0,1,0,0,0,0|1,0,0]=2 1054 B12R1.1703 CNC(=O)c1ccc(cc1O)Cl 527a_100102657272_100000188622 [0,1,0,0,0,0|1,0,0]=2 1055 B12R1.1703 CNC(=O)c1ccc(cc1O)F 240690a_100102657272_100000746061 [0,1,0,0,0,0|1,0,0]=2 1056 B12R1.1703 CNC(=O)c1ccc(cc1O)F 271570a_203496583355_200000206206 [0,1,0,0,0,0|1,0,0]=2 1057 B12R1.1703 CNC(=O)c1ccc(cc1O)F 527a_100102657272_100000746061 [0,1,0,0,0,0|1,0,0]=2 1058 B12R1.1703 CNC(=O)c1ccc(cc1O)I 240690a_100102657272_100000091984 [0,1,0,0,0,0|1,0,0]=2 1059 B12R1.1703 CNC(=O)c1ccc(cc1O)I 527a_100102657272_100000091984 [0,1,0,0,0,0|1,0,0]=2 1060 B12R1.1703 CNC(C)c1ccc(cc1O)Br 269862a_106832991636_100000188348 [0,1,0,0,0,0|2,0,1]=4 1061 B12R1.1703 CNC(C)c1ccc(cc1O)C 269862a_106832991636_100000234885 [0,1,0,0,0,0|2,0,1]=4 1062 B12R1.1703 CNC(C)c1ccc(cc1O)Cl 269862a_106832991636_100000061402 [0,1,0,0,0,0|2,0,1]=4 1063 B12R1.1703 CNC(C)c1ccc(cc1O)F 269862a_106832991636_100011215782 [0,1,0,0,0,0|2,0,1]=4 1064 B12R1.1703 COC(=O)c1ccc(cc1Br)O 271570a_203496583355_100010247156 [0,1,0,0,0,0|3,0,0]=4 1065 B12R1.1703 COC(=O)c1ccc(cc1C)O 271570a_203496583355_100000747612 [0,1,0,0,0,0|3,0,0]=4 1066 B12R1.1703 COC(=O)c1ccc(cc1Cl)O 271570a_203496583355_100000060724 [0,1,0,0,0,0|3,0,0]=4 1067 B12R1.1703 COC(=O)c1ccc(cc1F)O 271570a_203496583355_100000216654 [0,1,0,0,0,0|3,0,0]=4 1068 B12R1.1703 COC(=O)c1ccc(cc1N)O 271570a_203496583355_100011373473 [0,1,0,0,0,0|3,0,0]=4 1069 B12R1.1703 COC(=O)c1ccc(cc1O)Br 271570a_203496583355_100000701758 [0,1,0,0,0,0|2,0,0]=3 1070 B12R1.1703 COC(=O)c1ccc(cc1O)C 271570a_203496583355_100012340597 [0,1,0,0,0,0|2,0,0]=3 1071 B12R1.1703 COC(=O)c1ccc(cc1O)Cl 271570a_203496583355_100000047510 [0,1,0,0,0,0|2,0,0]=3 1072 B12R1.1703 COC(=O)c1ccc(cc1O)F 271570a_203496583355_100000204356 [0,1,0,0,0,0|2,0,0]=3 1073 B12R1.1703 COC(=O)c1ccc(cc1O)N 271570a_203496583355_100009998378 [0,1,0,0,0,0|2,0,0]=3 1074 B12R1.1703 COC(=O)c1ccc(cc1O)O 271570a_203496583355_100000062286 [0,1,0,0,0,0|2,0,0]=3 1075 B12R1.1703 COC(=O)c1ccc(cc1O)O 271570a_203496583355_100010150825 [0,1,0,0,0,0|2,0,0]=3 1076 B12R1.1703 COC(=O)c1ccc(nc1O)C 271570a_203496583355_100000054099 [0,1,0,0,0,0|3,0,0]=4 1077 B12R1.1703 COC(=O)c1ccc(nc1O)N 271570a_203496583355_100009865240 [0,1,0,0,0,0|3,0,0]=4 1078 B12R1.1703 COC(=O)c1ccc(nc1O)O 271570a_203496583355_100015962272 [0,1,0,0,0,0|3,0,0]=4 1079 B12R1.1703 COC(=O)c1ccc(nc1O)O 271570a_203496583355_100016008356 [0,1,0,0,0,0|3,0,0]=4 1080 B12R1.1703 COC(=O)c1cnc(cc1O)C 271570a_203496583355_100011998247 [0,1,0,0,0,0|3,0,0]=4 1081 B12R1.1703 COC(=O)c1ncc(cc1O)C 271570a_203496583355_100010167497 [0,1,0,0,0,0|3,0,0]=4 1082 B12R1.1703 COC(=O)c1ncc(cc1O)F 271570a_203496583355_100010189631 [0,1,0,0,0,0|3,0,0]=4 1083 B12R1.1703 COC(=O)c1ncc(cc1O)O 271570a_203496583355_100010071521 [0,1,0,0,0,0|3,0,0]=4 1084 B12R1.1703 Cc1cc(ccc1C(=O)CF)Br 1458a_100000741311_100015361967 [0,1,0,0,0,0|3,0,0]=4 1085 B12R1.1703 Cc1cc(ccc1C(=O)CF)Cl 1458a_100000688705_100015361967 [0,1,0,0,0,0|3,0,0]=4 1086 B12R1.1703 Cc1cc(ccc1C(=O)CF)F 1458a_100000686989_100015361967 [0,1,0,0,0,0|3,0,0]=4 1087 B12R1.1703 Cc1cc(ccc1C(=O)CF)I 1458a_100010189873_100015361967 [0,1,0,0,0,0|3,0,0]=4 1088 B12R1.1703 Cc1cc(ccc1C(=O)CF)O 1458a_100000692822_100015361967 [0,1,0,0,0,0|3,0,0]=4 1089 B12R1.1703 Cc1ccc(c(c1)Br)C(=O)CF 1458a_100000685072_100015361967 [0,1,0,0,0,0|3,0,0]=4 1090 B12R1.1703 Cc1ccc(c(c1)C)C(=O)CF 1458a_100000211164_100015361967 [0,1,0,0,0,0|3,0,0]=4 1091 B12R1.1703 Cc1ccc(c(c1)Cl)C(=O)CF 1458a_100000766932_100015361967 [0,1,0,0,0,0|3,0,0]=4 1092 B12R1.1703 Cc1ccc(c(c1)F)C(=O)CF 1458a_100000766033_100015361967 [0,1,0,0,0,0|3,0,0]=4 1093 B12R1.1703 Cc1ccc(c(c1)I)C(=O)CF 1458a_100009999607_100015361967 [0,1,0,0,0,0|3,0,0]=4 1094 B12R1.1703 Cc1ccc(c(c1)O)C(=O)CF 1458a_100000212137_100015361967 [0,1,0,0,0,0|2,0,0]=3 1095 B12R1.1703 Cc1ccc(c(c1)O)C(=O)NN 271570a_203496583355_200012340525 [0,1,0,0,0,0|1,0,0]=2 1096 B12R1.1703 NNC(=O)c1ccc(cc1O)F 271570a_203496583355_100000203923 [0,1,0,0,0,0|1,0,0]=2 1097 B12R1.1703 O=C(CF)c1ccc(cc1Br)Br 1458a_100000762965_100015361967 [0,1,0,0,0,0|3,0,0]=4 1098 B12R1.1703 O=C(CF)c1ccc(cc1Br)Cl 1458a_100000766353_100015361967 [0,1,0,0,0,0|3,0,0]=4 1099 B12R1.1703 O=C(CF)c1ccc(cc1Br)F 1458a_100000212304_100015361967 [0,1,0,0,0,0|3,0,0]=4 1100 B12R1.1703 O=C(CF)c1ccc(cc1Br)I 1458a_100012360512_100015361967 [0,1,0,0,0,0|3,0,0]=4 1101 B12R1.1703 O=C(CF)c1ccc(cc1Br)O 1458a_100012344906_100015361967 [0,1,0,0,0,0|3,0,0]=4 1102 B12R1.1703 O=C(CF)c1ccc(cc1Cl)Br 1458a_100000741628_100015361967 [0,1,0,0,0,0|3,0,0]=4 1103 B12R1.1703 O=C(CF)c1ccc(cc1Cl)Cl 1458a_100000185840_100015361967 [0,1,0,0,0,0|3,0,0]=4 1104 B12R1.1703 O=C(CF)c1ccc(cc1Cl)F 1458a_100000211397_100015361967 [0,1,0,0,0,0|3,0,0]=4 1105 B12R1.1703 O=C(CF)c1ccc(cc1Cl)I 1458a_100000751301_100015361967 [0,1,0,0,0,0|3,0,0]=4 1106 B12R1.1703 O=C(CF)c1ccc(cc1Cl)O 1458a_100000702456_100015361967 [0,1,0,0,0,0|3,0,0]=4 1107 B12R1.1703 O=C(CF)c1ccc(cc1F)Br 1458a_100000214689_100015361967 [0,1,0,0,0,0|3,0,0]=4 1108 B12R1.1703 O=C(CF)c1ccc(cc1F)Cl 1458a_100000212326_100015361967 [0,1,0,0,0,0|3,0,0]=4 1109 B12R1.1703 O=C(CF)c1ccc(cc1F)F 1458a_100000211022_100015361967 [0,1,0,0,0,0|3,0,0]=4 1110 B12R1.1703 O=C(CF)c1ccc(cc1F)I 1458a_100000037189_100015361967 [0,1,0,0,0,0|3,0,0]=4 1111 B12R1.1703 O=C(CF)c1ccc(cc1F)O 1458a_100000689029_100015361967 [0,1,0,0,0,0|3,0,0]=4 1112 B12R1.1703 O=C(CF)c1ccc(cc1I)Br 1458a_100000751167_100015361967 [0,1,0,0,0,0|3,0,0]=4 1113 B12R1.1703 O=C(CF)c1ccc(cc1I)Cl 1458a_100000739380_100015361967 [0,1,0,0,0,0|3,0,0]=4 1114 B12R1.1703 O=C(CF)c1ccc(cc1I)F 1458a_100000739341_100015361967 [0,1,0,0,0,0|3,0,0]=4 1115 B12R1.1703 O=C(CF)c1ccc(cc1O)Br 1458a_100000744433_100015361967 [0,1,0,0,0,0|2,0,0]=3 1116 B12R1.1703 O=C(CF)c1ccc(cc1O)Cl 1458a_100000188622_100015361967 [0,1,0,0,0,0|2,0,0]=3 1117 B12R1.1703 O=C(CF)c1ccc(cc1O)F 1458a_100000746061_100015361967 [0,1,0,0,0,0|2,0,0]=3 1118 B12R1.1703 O=C(CF)c1ccc(cc1O)I 1458a_100000091984_100015361967 [0,1,0,0,0,0|2,0,0]=3 1119 B12R1.1703 O=C(CF)c1ccc(cc1O)O 1458a_100000212172_100015361967 [0,1,0,0,0,0|2,0,0]=3 1120 B12R1.3441 CCC(=O)c1c(cccc1Br)Br 1458a_100000690891_100000210202 [0,1,0,0,0,0|3,0,0]=4 1121 B12R1.3441 CCC(=O)c1c(cccc1Br)C 1458a_100000701904_100000210202 [0,1,0,0,0,0|3,0,0]=4 1122 B12R1.3441 CCC(=O)c1c(cccc1Br)Cl 1458a_100011253703_100000210202 [0,1,0,0,0,0|3,0,0]=4 1123 B12R1.3441 CCC(=O)c1c(cccc1Br)F 1458a_100000752694_100000210202 [0,1,0,0,0,0|3,0,0]=4 1124 B12R1.3441 CCC(=O)c1c(cccc1Br)O 1458a_100011935254_100000210202 [0,1,0,0,0,0|2,0,0]=3 1125 B12R1.3441 CCC(=O)c1c(cccc1C)C 1458a_100000758298_100000210202 [0,1,0,0,0,0|3,0,0]=4 1126 B12R1.3441 CCC(=O)c1c(cccc1Cl)C 1458a_100000692601_100000210202 [0,1,0,0,0,0|3,0,0]=4 1127 B12R1.3441 CCC(=O)c1c(cccc1Cl)Cl 1458a_100000210656_100000210202 [0,1,0,0,0,0|3,0,0]=4 1128 B12R1.3441 CCC(=O)c1c(cccc1Cl)F 1458a_100000210369_100000210202 [0,1,0,0,0,0|3,0,0]=4 1129 B12R1.3441 CCC(=O)c1c(cccc1Cl)O 1458a_100000745519_100000210202 [0,1,0,0,0,0|2,0,0]=3 1130 B12R1.3441 CCC(=O)c1c(cccc1F)C 1458a_100000762013_100000210202 [0,1,0,0,0,0|3,0,0]=4 1131 B12R1.3441 CCC(=O)c1c(cccc1F)F 1458a_100000210804_100000210202 [0,1,0,0,0,0|3,0,0]=4 1132 B12R1.3441 CCC(=O)c1c(cccc1F)O 1458a_100000763259_100000210202 [0,1,0,0,0,0|2,0,0]=3 1133 B12R1.3441 CCC(=O)c1c(cccc1I)Br 1458a_100010232521_100000210202 [0,1,0,0,0,0|3,0,0]=4 1134 B12R1.3441 CCC(=O)c1c(cccc1I)C 1458a_100000688020_100000210202 [0,1,0,0,0,0|3,0,0]=4 1135 B12R1.3441 CCC(=O)c1c(cccc1I)Cl 1458a_100000702859_100000210202 [0,1,0,0,0,0|3,0,0]=4 1136 B12R1.3441 CCC(=O)c1c(cccc1I)F 1458a_100000023732_100000210202 [0,1,0,0,0,0|3,0,0]=4 1137 B12R1.3441 CCC(=O)c1c(cccc1O)C 1458a_100011934116_100000210202 [0,1,0,0,0,0|2,0,0]=3 1138 B12R1.3441 CCC(=O)c1c(cccc1O)O 1458a_100000755285_100000210202 [0,1,0,0,0,0|2,0,0]=3 1139 B12R1.3441 CNC(=O)c1c(cccc1Br)Br 11a_106832991635_100000690891 [0,1,0,0,0,0|2,0,0]=3 1140 B12R1.3441 CNC(=O)c1c(cccc1Br)Br 1626a_100102657272_100000690891 [0,1,0,0,0,0|2,0,0]=3 1141 B12R1.3441 CNC(=O)c1c(cccc1Br)Br 240690a_100102657272_100000690891 [0,1,0,0,0,0|2,0,0]=3 1142 B12R1.3441 CNC(=O)c1c(cccc1Br)Br 527a_100102657272_100000690891 [0,1,0,0,0,0|2,0,0]=3 1143 B12R1.3441 CNC(=O)c1c(cccc1Br)C 11a_106832991635_100000701904 [0,1,0,0,0,0|2,0,0]=3 1144 B12R1.3441 CNC(=O)c1c(cccc1Br)C 1626a_100102657272_100000701904 [0,1,0,0,0,0|2,0,0]=3 1145 B12R1.3441 CNC(=O)c1c(cccc1Br)C 240690a_100102657272_100000701904 [0,1,0,0,0,0|2,0,0]=3 1146 B12R1.3441 CNC(=O)c1c(cccc1Br)C 527a_100102657272_100000701904 [0,1,0,0,0,0|2,0,0]=3 1147 B12R1.3441 CNC(=O)c1c(cccc1Br)Cl 11a_106832991635_100011253703 [0,1,0,0,0,0|2,0,0]=3 1148 B12R1.3441 CNC(=O)c1c(cccc1Br)Cl 1626a_100102657272_100011253703 [0,1,0,0,0,0|2,0,0]=3 1149 B12R1.3441 CNC(=O)c1c(cccc1Br)Cl 240690a_100102657272_100011253703 [0,1,0,0,0,0|2,0,0]=3 1150 B12R1.3441 CNC(=O)c1c(cccc1Br)Cl 527a_100102657272_100011253703 [0,1,0,0,0,0|2,0,0]=3 1151 B12R1.3441 CNC(=O)c1c(cccc1Br)F 11a_106832991635_100000752694 [0,1,0,0,0,0|2,0,0]=3 1152 B12R1.3441 CNC(=O)c1c(cccc1Br)F 1626a_100102657272_100000752694 [0,1,0,0,0,0|2,0,0]=3 1153 B12R1.3441 CNC(=O)c1c(cccc1Br)F 240690a_100102657272_100000752694 [0,1,0,0,0,0|2,0,0]=3 1154 B12R1.3441 CNC(=O)c1c(cccc1Br)F 527a_100102657272_100000752694 [0,1,0,0,0,0|2,0,0]=3 1155 B12R1.3441 CNC(=O)c1c(cccc1Br)O 240690a_100102657272_100011935254 [0,1,0,0,0,0|1,0,0]=2 1156 B12R1.3441 CNC(=O)c1c(cccc1Br)O 527a_100102657272_100011935254 [0,1,0,0,0,0|1,0,0]=2 1157 B12R1.3441 CNC(=O)c1c(cccc1C)C 11a_106832991635_100000758298 [0,1,0,0,0,0|2,0,0]=3 1158 B12R1.3441 CNC(=O)c1c(cccc1C)C 1626a_100102657272_100000758298 [0,1,0,0,0,0|2,0,0]=3 1159 B12R1.3441 CNC(=O)c1c(cccc1C)C 240690a_100102657272_100000758298 [0,1,0,0,0,0|2,0,0]=3 1160 B12R1.3441 CNC(=O)c1c(cccc1Cl)C 11a_106832991635_100000692601 [0,1,0,0,0,0|2,0,0]=3 1161 B12R1.3441 CNC(=O)c1c(cccc1Cl)C 1626a_100102657272_100000692601 [0,1,0,0,0,0|2,0,0]=3 1162 B12R1.3441 CNC(=O)c1c(cccc1Cl)C 240690a_100102657272_100000692601 [0,1,0,0,0,0|2,0,0]=3 1163 B12R1.3441 CNC(=O)c1c(cccc1Cl)Cl 11a_106832991635_100000210656 [0,1,0,0,0,0|2,0,0]=3 1164 B12R1.3441 CNC(=O)c1c(cccc1Cl)Cl 1626a_100102657272_100000210656 [0,1,0,0,0,0|2,0,0]=3 1165 B12R1.3441 CNC(=O)c1c(cccc1Cl)Cl 240690a_100102657272_100000210656 [0,1,0,0,0,0|2,0,0]=3 1166 B12R1.3441 CNC(=O)c1c(cccc1Cl)F 11a_106832991635_100000210369 [0,1,0,0,0,0|2,0,0]=3 1167 B12R1.3441 CNC(=O)c1c(cccc1Cl)F 1626a_100102657272_100000210369 [0,1,0,0,0,0|2,0,0]=3 1168 B12R1.3441 CNC(=O)c1c(cccc1Cl)F 240690a_100102657272_100000210369 [0,1,0,0,0,0|2,0,0]=3 1169 B12R1.3441 CNC(=O)c1c(cccc1Cl)F 527a_100102657272_100000210369 [0,1,0,0,0,0|2,0,0]=3 1170 B12R1.3441 CNC(=O)c1c(cccc1Cl)O 240690a_100102657272_100000745519 [0,1,0,0,0,0|1,0,0]=2 1171 B12R1.3441 CNC(=O)c1c(cccc1Cl)O 527a_100102657272_100000745519 [0,1,0,0,0,0|1,0,0]=2 1172 B12R1.3441 CNC(=O)c1c(cccc1F)C 11a_106832991635_100000762013 [0,1,0,0,0,0|2,0,0]=3 1173 B12R1.3441 CNC(=O)c1c(cccc1F)C 1626a_100102657272_100000762013 [0,1,0,0,0,0|2,0,0]=3 1174 B12R1.3441 CNC(=O)c1c(cccc1F)C 240690a_100102657272_100000762013 [0,1,0,0,0,0|2,0,0]=3 1175 B12R1.3441 CNC(=O)c1c(cccc1F)C 527a_100102657272_100000762013 [0,1,0,0,0,0|2,0,0]=3 1176 B12R1.3441 CNC(=O)c1c(cccc1F)F 11a_106832991635_100000210804 [0,1,0,0,0,0|2,0,0]=3 1177 B12R1.3441 CNC(=O)c1c(cccc1F)F 1626a_100102657272_100000210804 [0,1,0,0,0,0|2,0,0]=3 1178 B12R1.3441 CNC(=O)c1c(cccc1F)F 240690a_100102657272_100000210804 [0,1,0,0,0,0|2,0,0]=3 1179 B12R1.3441 CNC(=O)c1c(cccc1F)F 527a_100102657272_100000210804 [0,1,0,0,0,0|2,0,0]=3 1180 B12R1.3441 CNC(=O)c1c(cccc1F)O 271570a_203496583355_100012642803 [0,1,0,0,0,0|1,0,0]=2 1181 B12R1.3441 CNC(=O)c1c(cccc1F)O 527a_100102657272_100000763259 [0,1,0,0,0,0|1,0,0]=2 1182 B12R1.3441 CNC(=O)c1c(cccc1I)Br 11a_106832991635_100010232521 [0,1,0,0,0,0|2,0,0]=3 1183 B12R1.3441 CNC(=O)c1c(cccc1I)Br 1626a_100102657272_100010232521 [0,1,0,0,0,0|2,0,0]=3 1184 B12R1.3441 CNC(=O)c1c(cccc1I)Br 240690a_100102657272_100010232521 [0,1,0,0,0,0|2,0,0]=3 1185 B12R1.3441 CNC(=O)c1c(cccc1I)Br 527a_100102657272_100010232521 [0,1,0,0,0,0|2,0,0]=3 1186 B12R1.3441 CNC(=O)c1c(cccc1I)C 11a_106832991635_100000688020 [0,1,0,0,0,0|2,0,0]=3 1187 B12R1.3441 CNC(=O)c1c(cccc1I)C 1626a_100102657272_100000688020 [0,1,0,0,0,0|2,0,0]=3 1188 B12R1.3441 CNC(=O)c1c(cccc1I)C 240690a_100102657272_100000688020 [0,1,0,0,0,0|2,0,0]=3 1189 B12R1.3441 CNC(=O)c1c(cccc1I)Cl 11a_106832991635_100000702859 [0,1,0,0,0,0|2,0,0]=3 1190 B12R1.3441 CNC(=O)c1c(cccc1I)Cl 1626a_100102657272_100000702859 [0,1,0,0,0,0|2,0,0]=3 1191 B12R1.3441 CNC(=O)c1c(cccc1I)Cl 240690a_100102657272_100000702859 [0,1,0,0,0,0|2,0,0]=3 1192 B12R1.3441 CNC(=O)c1c(cccc1I)Cl 527a_100102657272_100000702859 [0,1,0,0,0,0|2,0,0]=3 1193 B12R1.3441 CNC(=O)c1c(cccc1I)F 11a_106832991635_100000023732 [0,1,0,0,0,0|2,0,0]=3 1194 B12R1.3441 CNC(=O)c1c(cccc1I)F 1626a_100102657272_100000023732 [0,1,0,0,0,0|2,0,0]=3 1195 B12R1.3441 CNC(=O)c1c(cccc1I)F 240690a_100102657272_100000023732 [0,1,0,0,0,0|2,0,0]=3 1196 B12R1.3441 CNC(=O)c1c(cccc1O)O 527a_100102657272_100000755285 [0,1,0,0,0,0|1,0,0]=2 1197 B12R1.3441 COC(=O)c1c(cccc1Br)O 271570a_203496583355_100010247157 [0,1,0,0,0,0|2,0,0]=3 1198 B12R1.3441 COC(=O)c1c(cccc1Cl)O 271570a_203496583355_100010150959 [0,1,0,0,0,0|2,0,0]=3 1199 B12R1.3441 COC(=O)c1c(cccc1F)O 271570a_203496583355_100000150693 [0,1,0,0,0,0|2,0,0]=3 1200 B12R1.3441 COC(=O)c1c(cccc1O)C 271570a_203496583355_100010204206 [0,1,0,0,0,0|2,0,0]=3 1201 B12R1.3441 COC(=O)c1c(cccc1O)N 271570a_203496583355_100010253892 [0,1,0,0,0,0|2,0,0]=3 1202 B12R1.3441 COC(=O)c1c(ccnc1Cl)O 271570a_203496583355_100010138530 [0,1,0,0,0,0|3,0,0]=4 1203 B12R1.3441 COC(=O)c1c(ccnc1F)O 271570a_203496583355_100010150474 [0,1,0,0,0,0|3,0,0]=4 1204 B12R1.3441 COC(=O)c1c(ccnc1O)F 271570a_203496583355_100015560809 [0,1,0,0,0,0|3,0,0]=4 1205 B12R1.3441 COC(=O)c1c(ccnc1O)N 271570a_203496583355_100009985557 [0,1,0,0,0,0|3,0,0]=4 1206 B12R1.3441 COC(=O)c1c(cncc1F)O 271570a_203496583355_100010189632 [0,1,0,0,0,0|3,0,0]=4 1207 B12R1.3441 Cc1cccc(c1C(=O)CF)Br 1458a_100000701904_100015361967 [0,1,0,0,0,0|3,0,0]=4 1208 B12R1.3441 Cc1cccc(c1C(=O)CF)C 1458a_100000758298_100015361967 [0,1,0,0,0,0|3,0,0]=4 1209 B12R1.3441 Cc1cccc(c1C(=O)CF)Cl 1458a_100000692601_100015361967 [0,1,0,0,0,0|3,0,0]=4 1210 B12R1.3441 Cc1cccc(c1C(=O)CF)F 1458a_100000762013_100015361967 [0,1,0,0,0,0|3,0,0]=4 1211 B12R1.3441 Cc1cccc(c1C(=O)CF)I 1458a_100000688020_100015361967 [0,1,0,0,0,0|3,0,0]=4 1212 B12R1.3441 Cc1cccc(c1C(=O)CF)O 1458a_100011934116_100015361967 [0,1,0,0,0,0|2,0,0]=3 1213 B12R1.3441 O=C(CF)c1c(cccc1Br)Br 1458a_100000690891_100015361967 [0,1,0,0,0,0|3,0,0]=4 1214 B12R1.3441 O=C(CF)c1c(cccc1Br)Cl 1458a_100011253703_100015361967 [0,1,0,0,0,0|3,0,0]=4 1215 B12R1.3441 O=C(CF)c1c(cccc1Br)F 1458a_100000752694_100015361967 [0,1,0,0,0,0|3,0,0]=4 1216 B12R1.3441 O=C(CF)c1c(cccc1Br)O 1458a_100011935254_100015361967 [0,1,0,0,0,0|2,0,0]=3 1217 B12R1.3441 O=C(CF)c1c(cccc1Cl)Cl 1458a_100000210656_100015361967 [0,1,0,0,0,0|3,0,0]=4 1218 B12R1.3441 O=C(CF)c1c(cccc1Cl)F 1458a_100000210369_100015361967 [0,1,0,0,0,0|3,0,0]=4 1219 B12R1.3441 O=C(CF)c1c(cccc1Cl)O 1458a_100000745519_100015361967 [0,1,0,0,0,0|2,0,0]=3 1220 B12R1.3441 O=C(CF)c1c(cccc1F)F 1458a_100000210804_100015361967 [0,1,0,0,0,0|3,0,0]=4 1221 B12R1.3441 O=C(CF)c1c(cccc1F)O 1458a_100000763259_100015361967 [0,1,0,0,0,0|2,0,0]=3 1222 B12R1.3441 O=C(CF)c1c(cccc1I)Br 1458a_100010232521_100015361967 [0,1,0,0,0,0|3,0,0]=4 1223 B12R1.3441 O=C(CF)c1c(cccc1I)Cl 1458a_100000702859_100015361967 [0,1,0,0,0,0|3,0,0]=4 1224 B12R1.3441 O=C(CF)c1c(cccc1I)F 1458a_100000023732_100015361967 [0,1,0,0,0,0|3,0,0]=4 1225 B12R1.3441 O=C(CF)c1c(cccc1O)O 1458a_100000755285_100015361967 [0,1,0,0,0,0|2,0,0]=3 1226 B10R0.18 C=CC=CC(=O)CC(=O)NC 1458a_100016291481_100000183359 [0,0,1,0,0,0|1,0,2]=4 1227 B12R2.1 C=Cc1coc2c1cccc2 271570a_100011290941_100009812202 [0,0,0,1,0,0|3,0,0]=4 1228 B12R2.1 CNC1COc2c1cccc2 2230a_100000747519_200000210301 [0,0,0,1,0,0|2,0,1]=4 1229 B12R2.1 CSc1coc2c1cccc2 62a_200000210301_100009812202 [0,0,0,1,0,0|3,0,0]=4 1230 B12R2.1 CSc1noc2c1cccc2 62a_200000210301_200000703156 [0,0,0,1,0,0|3,0,0]=4 1231 B12R2.1 CSc1noc2c1cccc2 62a_200000703156_200000210301 [0,0,0,1,0,0|3,0,0]=4 1232 B12R2.1 [13CH3]NC1COc2c1cccc2 2230a_100000747519_200025704644 [0,0,0,1,0,0|2,0,1]=4 1233 B12R2.1 [13CH3]Sc1coc2c1cccc2 62a_200025704644_100009812202 [0,0,0,1,0,0|3,0,0]=4 1234 B12R2.1 [13CH3]Sc1noc2c1cccc2 62a_200000703156_200025704644 [0,0,0,1,0,0|3,0,0]=4 1235 B12R2.1 [13CH3]Sc1noc2c1cccc2 62a_200025704644_200000703156 [0,0,0,1,0,0|3,0,0]=4 1236 B12R2.18 Cc1c(sc2c1cccc2)O 271570a_203496583355_200010198769 [0,0,0,1,0,0|2,1,0]=4 1237 B12R2.18 Cc1oc2ccccc2c1O 271570a_203496583355_200010236113 [0,0,0,1,0,0|2,0,1]=4 1238 B12R2.18 Cn1nc2ccccc2c1O 271570a_203496583355_100010163699 [0,0,0,1,0,0|2,0,1]=4 1239 B12R2.203 Cc1c[nH]c2c1c(ccc2)O 271570a_203496583355_100010194227 [0,0,0,1,0,0|3,0,0]=4 1240 B12R2.203 Cc1n[nH]c2c1c(ccc2)O 271570a_203496583355_100010205804 [0,0,0,1,0,0|2,0,1]=4 1241 B12R2.203 Nc1n[nH]c2c1c(ccc2)O 271570a_203496583355_100000049960 [0,0,0,1,0,0|2,0,1]=4 1242 B12R2.203 Nc1noc2c1c(ccc2)O 271570a_203496583355_100012361266 [0,0,0,1,0,0|1,0,1]=3 1243 B12R2.203 O=C1CCc2c1c(ccc2)O 271570a_203496583355_100009816781 [0,0,0,1,0,0|2,0,0]=3 1244 B12R2.203 O=C1COc2c1c(ccc2)O 271570a_203496583355_100010205902 [0,0,0,1,0,0|1,0,0]=2 1245 B12R2.203 O=C1NCc2c1c(ccc2)O 271570a_203496583355_100000724024 [0,0,0,1,0,0|1,0,0]=2 1246 B12R2.203 O=C1OCc2c1c(ccc2)O 271570a_203496583355_100010132333 [0,0,0,1,0,0|2,0,0]=3 1247 B12R2.203 O=c1[nH][nH]c2c1c(ccc2)O 271570a_203496583355_100010170957 [0,0,0,1,0,0|1,0,0]=2 1248 B10R1.149 COC(=O)c1[nH]ccc1O 271570a_203496583355_100102525103 [0,0,0,0,1,0|3,0,0]=4 1249 B10R1.149 COC(=O)c1ccoc1O 271570a_203496583355_100011935261 [0,0,0,0,1,0|3,0,0]=4 1250 B10R1.149 COC(=O)c1ccsc1O 271570a_203496583355_100009822520 [0,0,0,0,1,0|3,0,0]=4 1251 B10R1.149 COC(=O)c1cscc1O 271570a_203496583355_100012351140 [0,0,0,0,1,0|3,0,0]=4 1252 B10R1.149 COC(=O)c1occc1O 271570a_203496583355_100012676306 [0,0,0,0,1,0|3,0,0]=4 1253 B10R1.149 COC(=O)c1sccc1O 271570a_203496583355_100000730364 [0,0,0,0,1,0|3,0,0]=4 1254 B12R1.371 C#CC(=O)Cc1ccccc1Br 1458a_100000211873_100000184730 [0,0,0,0,0,1|3,0,0]=4 1255 B12R1.371 C#CC(=O)Cc1ccccc1C 1458a_100000211873_100000211839 [0,0,0,0,0,1|3,0,0]=4 1256 B12R1.371 C#CC(=O)Cc1ccccc1Cl 1458a_100000211873_100000187162 [0,0,0,0,0,1|3,0,0]=4 1257 B12R1.371 C#CC(=O)Cc1ccccc1F 1458a_100000211873_100000187165 [0,0,0,0,0,1|3,0,0]=4 1258 B12R1.371 C#CC(=O)Cc1ccccc1I 1458a_100000211873_100011216222 [0,0,0,0,0,1|3,0,0]=4 1259 B12R1.371 C#CC(=O)Cc1ncccc1O 1458a_100000211873_200020655725 [0,0,0,0,0,1|3,0,0]=4 1260 B12R1.371 C=CC(=O)Cc1ccccc1Br 1458a_100000185746_100000184730 [0,0,0,0,0,1|3,0,0]=4 1261 B12R1.371 C=CC(=O)Cc1ccccc1C 1458a_100000185746_100000211839 [0,0,0,0,0,1|3,0,0]=4 1262 B12R1.371 C=CC(=O)Cc1ccccc1Cl 1458a_100000185746_100000187162 [0,0,0,0,0,1|3,0,0]=4 1263 B12R1.371 C=CC(=O)Cc1ccccc1F 1458a_100000185746_100000187165 [0,0,0,0,0,1|3,0,0]=4 1264 B12R1.371 C=CC(=O)Cc1ccccc1I 1458a_100000185746_100011216222 [0,0,0,0,0,1|3,0,0]=4 1265 B12R1.371 C=CC(=O)Cc1ncccc1O 1458a_100000185746_200020655725 [0,0,0,0,0,1|3,0,0]=4 1266 B12R1.371 C=CC(=O)Nc1ccccc1Br 1626a_100000210017_100000185746 [0,0,0,0,0,1|3,0,0]=4 1267 B12R1.371 C=CC(=O)Nc1ccccc1C 1626a_100015192222_100000185746 [0,0,0,0,0,1|3,0,0]=4 1268 B12R1.371 C=CC(=O)Nc1ccccc1C 22a_100015192222_100000185746 [0,0,0,0,0,1|3,0,0]=4 1269 B12R1.371 C=CC(=O)Nc1ccccc1Cl 1626a_100000185783_100000185746 [0,0,0,0,0,1|3,0,0]=4 1270 B12R1.371 C=CC(=O)Nc1ccccc1Cl 22a_100000185783_100000185746 [0,0,0,0,0,1|3,0,0]=4 1271 B12R1.371 C=CC(=O)Nc1ccccc1F 1626a_100000210422_100000185746 [0,0,0,0,0,1|3,0,0]=4 1272 B12R1.371 C=CC(=O)Nc1ccccc1F 22a_100000210422_100000185746 [0,0,0,0,0,1|3,0,0]=4 1273 B12R1.371 C=CC(=O)Nc1ccccc1I 1626a_100000210053_100000185746 [0,0,0,0,0,1|3,0,0]=4 1274 B12R1.371 C=CC(=O)Nc1ccccc1O 22a_100000185747_100000185746 [0,0,0,0,0,1|2,0,0]=3 1275 B12R1.371 CC(CO)Nc1ccccc1O 34a_100000185747_100012180447 [0,0,0,0,0,1|2,0,1]=4 1276 B12R1.371 CC(CO)Sc1ccccc1O 62a_100012180447_100000739446 [0,0,0,0,0,1|2,0,1]=4 1277 B12R1.371 CCC(=O)Cc1ccccc1Br 1458a_100000210414_100000184730 [0,0,0,0,0,1|3,0,0]=4 1278 B12R1.371 CCC(=O)Cc1ccccc1Br 1458a_100000751119_100000210202 [0,0,0,0,0,1|3,0,0]=4 1279 B12R1.371 CCC(=O)Cc1ccccc1C 1458a_100000210414_100000211839 [0,0,0,0,0,1|3,0,0]=4 1280 B12R1.371 CCC(=O)Cc1ccccc1C 1458a_100000212180_100000210202 [0,0,0,0,0,1|3,0,0]=4 1281 B12R1.371 CCC(=O)Cc1ccccc1Cl 1458a_100000183793_100000210202 [0,0,0,0,0,1|3,0,0]=4 1282 B12R1.371 CCC(=O)Cc1ccccc1Cl 1458a_100000210414_100000187162 [0,0,0,0,0,1|3,0,0]=4 1283 B12R1.371 CCC(=O)Cc1ccccc1F 1458a_100000210414_100000187165 [0,0,0,0,0,1|3,0,0]=4 1284 B12R1.371 CCC(=O)Cc1ccccc1F 1458a_100000212012_100000210202 [0,0,0,0,0,1|3,0,0]=4 1285 B12R1.371 CCC(=O)Cc1ccccc1I 1458a_100000036491_100000210202 [0,0,0,0,0,1|3,0,0]=4 1286 B12R1.371 CCC(=O)Cc1ccccc1I 1458a_100000210414_100011216222 [0,0,0,0,0,1|3,0,0]=4 1287 B12R1.371 CCC(=O)Cc1ccccc1O 1458a_100000743006_100000210202 [0,0,0,0,0,1|2,0,0]=3 1288 B12R1.371 CCC(=O)Cc1ncccc1O 1458a_100000210414_200020655725 [0,0,0,0,0,1|3,0,0]=4 1289 B12R1.371 CCC(=O)Nc1ccccc1Br 11a_100000210017_100000210414 [0,0,0,0,0,1|3,0,0]=4 1290 B12R1.371 CCC(=O)Nc1ccccc1Br 1626a_100000210017_100000210414 [0,0,0,0,0,1|3,0,0]=4 1291 B12R1.371 CCC(=O)Nc1ccccc1C 11a_100015192222_100000210414 [0,0,0,0,0,1|3,0,0]=4 1292 B12R1.371 CCC(=O)Nc1ccccc1C 1626a_100015192222_100000210414 [0,0,0,0,0,1|3,0,0]=4 1293 B12R1.371 CCC(=O)Nc1ccccc1C 22a_100015192222_100000210414 [0,0,0,0,0,1|3,0,0]=4 1294 B12R1.371 CCC(=O)Nc1ccccc1C 527a_100015192222_100000210414 [0,0,0,0,0,1|3,0,0]=4 1295 B12R1.371 CCC(=O)Nc1ccccc1Cl 11a_100000185783_100000210414 [0,0,0,0,0,1|3,0,0]=4 1296 B12R1.371 CCC(=O)Nc1ccccc1Cl 1626a_100000185783_100000210414 [0,0,0,0,0,1|3,0,0]=4 1297 B12R1.371 CCC(=O)Nc1ccccc1Cl 22a_100000185783_100000210414 [0,0,0,0,0,1|3,0,0]=4 1298 B12R1.371 CCC(=O)Nc1ccccc1Cl 527a_100000185783_100000210414 [0,0,0,0,0,1|3,0,0]=4 1299 B12R1.371 CCC(=O)Nc1ccccc1F 11a_100000210422_100000210414 [0,0,0,0,0,1|3,0,0]=4 1300 B12R1.371 CCC(=O)Nc1ccccc1F 1626a_100000210422_100000210414 [0,0,0,0,0,1|3,0,0]=4 1301 B12R1.371 CCC(=O)Nc1ccccc1F 22a_100000210422_100000210414 [0,0,0,0,0,1|3,0,0]=4 1302 B12R1.371 CCC(=O)Nc1ccccc1F 527a_100000210422_100000210414 [0,0,0,0,0,1|3,0,0]=4 1303 B12R1.371 CCC(=O)Nc1ccccc1I 11a_100000210053_100000210414 [0,0,0,0,0,1|3,0,0]=4 1304 B12R1.371 CCC(=O)Nc1ccccc1I 1626a_100000210053_100000210414 [0,0,0,0,0,1|3,0,0]=4 1305 B12R1.371 CCC(=O)Nc1ccccc1O 22a_100000185747_100000210414 [0,0,0,0,0,1|2,0,0]=3 1306 B12R1.371 CCC(=O)Nc1ccccc1O 271570a_203496583355_100000153536 [0,0,0,0,0,1|2,0,0]=3 1307 B12R1.371 CCC(=O)Nc1ccccc1O 527a_100000185747_100000210414 [0,0,0,0,0,1|2,0,0]=3 1308 B12R1.371 CNC(=O)Cc1ccccc1Br 11a_106832991635_100000751119 [0,0,0,0,0,1|2,0,0]=3 1309 B12R1.371 CNC(=O)Cc1ccccc1Br 240690a_100102657272_100000751119 [0,0,0,0,0,1|2,0,0]=3 1310 B12R1.371 CNC(=O)Cc1ccccc1Br 527a_100102657272_100000751119 [0,0,0,0,0,1|2,0,0]=3 1311 B12R1.371 CNC(=O)Cc1ccccc1C 11a_106832991635_100000212180 [0,0,0,0,0,1|2,0,0]=3 1312 B12R1.371 CNC(=O)Cc1ccccc1C 1626a_100102657272_100000212180 [0,0,0,0,0,1|2,0,0]=3 1313 B12R1.371 CNC(=O)Cc1ccccc1C 240690a_100102657272_100000212180 [0,0,0,0,0,1|2,0,0]=3 1314 B12R1.371 CNC(=O)Cc1ccccc1C 527a_100102657272_100000212180 [0,0,0,0,0,1|2,0,0]=3 1315 B12R1.371 CNC(=O)Cc1ccccc1Cl 11a_106832991635_100000183793 [0,0,0,0,0,1|2,0,0]=3 1316 B12R1.371 CNC(=O)Cc1ccccc1Cl 1626a_100102657272_100000183793 [0,0,0,0,0,1|2,0,0]=3 1317 B12R1.371 CNC(=O)Cc1ccccc1Cl 240690a_100102657272_100000183793 [0,0,0,0,0,1|2,0,0]=3 1318 B12R1.371 CNC(=O)Cc1ccccc1Cl 527a_100102657272_100000183793 [0,0,0,0,0,1|2,0,0]=3 1319 B12R1.371 CNC(=O)Cc1ccccc1F 11a_106832991635_100000212012 [0,0,0,0,0,1|2,0,0]=3 1320 B12R1.371 CNC(=O)Cc1ccccc1F 1626a_100102657272_100000212012 [0,0,0,0,0,1|2,0,0]=3 1321 B12R1.371 CNC(=O)Cc1ccccc1F 240690a_100102657272_100000212012 [0,0,0,0,0,1|2,0,0]=3 1322 B12R1.371 CNC(=O)Cc1ccccc1F 527a_100102657272_100000212012 [0,0,0,0,0,1|2,0,0]=3 1323 B12R1.371 CNC(=O)Cc1ccccc1I 11a_106832991635_100000036491 [0,0,0,0,0,1|2,0,0]=3 1324 B12R1.371 CNC(=O)Cc1ccccc1I 1626a_100102657272_100000036491 [0,0,0,0,0,1|2,0,0]=3 1325 B12R1.371 CNC(=O)Cc1ccccc1I 240690a_100102657272_100000036491 [0,0,0,0,0,1|2,0,0]=3 1326 B12R1.371 CNC(=O)Cc1ccccc1I 527a_100102657272_100000036491 [0,0,0,0,0,1|2,0,0]=3 1327 B12R1.371 CNC(=O)Cc1ccccc1O 240690a_100102657272_100000743006 [0,0,0,0,0,1|1,0,0]=2 1328 B12R1.371 CNC(=O)Cc1ccccc1O 271570a_203496583355_200009816160 [0,0,0,0,0,1|1,0,0]=2 1329 B12R1.371 CNC(=O)Cc1ccccc1O 527a_100102657272_100000743006 [0,0,0,0,0,1|1,0,0]=2 1330 B12R1.371 CNC(=O)Cc1cccnc1Cl 11a_106832991635_100000093521 [0,0,0,0,0,1|3,0,0]=4 1331 B12R1.371 CNC(=O)Cc1cccnc1Cl 1626a_100102657272_100000093521 [0,0,0,0,0,1|3,0,0]=4 1332 B12R1.371 CNC(=O)Cc1cccnc1Cl 240690a_100102657272_100000093521 [0,0,0,0,0,1|3,0,0]=4 1333 B12R1.371 CNC(=O)Cc1cccnc1Cl 527a_100102657272_100000093521 [0,0,0,0,0,1|3,0,0]=4 1334 B12R1.371 CNC(=O)Cc1ncccc1Br 11a_106832991635_200012357574 [0,0,0,0,0,1|3,0,0]=4 1335 B12R1.371 CNC(=O)Cc1ncccc1Br 240690a_100102657272_200012357574 [0,0,0,0,0,1|3,0,0]=4 1336 B12R1.371 CNC(=O)Cc1ncccc1C 11a_106832991635_200000722269 [0,0,0,0,0,1|3,0,0]=4 1337 B12R1.371 CNC(=O)Cc1ncccc1C 1626a_100102657272_200000722269 [0,0,0,0,0,1|3,0,0]=4 1338 B12R1.371 CNC(=O)Cc1ncccc1C 240690a_100102657272_200000722269 [0,0,0,0,0,1|3,0,0]=4 1339 B12R1.371 CNC(=O)Cc1ncccc1Cl 11a_106832991635_100011998755 [0,0,0,0,0,1|3,0,0]=4 1340 B12R1.371 CNC(=O)Cc1ncccc1Cl 240690a_100102657272_100011998755 [0,0,0,0,0,1|3,0,0]=4 1341 B12R1.371 CNC(=O)Cc1ncccc1Cl 527a_100102657272_100011998755 [0,0,0,0,0,1|3,0,0]=4 1342 B12R1.371 CNC(=O)Cn1ccccc1=O 1626a_100102657272_100000189665 [0,0,0,0,0,1|2,0,1]=4 1343 B12R1.371 CNC(=O)Cn1ccccc1=O 240690a_100102657272_100000189665 [0,0,0,0,0,1|2,0,1]=4 1344 B12R1.371 CNC(=O)Cn1ccccc1=O 527a_100102657272_100000189665 [0,0,0,0,0,1|2,0,1]=4 1345 B12R1.371 CNC(=O)Nc1ccccc1Br 2430a_100000210017_100102657272 [0,0,0,0,0,1|2,0,0]=3 1346 B12R1.371 CNC(=O)Nc1ccccc1C 2430a_100015192222_100102657272 [0,0,0,0,0,1|2,0,0]=3 1347 B12R1.371 CNC(=O)Nc1ccccc1Cl 2430a_100000185783_100102657272 [0,0,0,0,0,1|2,0,0]=3 1348 B12R1.371 CNC(=O)Nc1ccccc1F 2430a_100000210422_100102657272 [0,0,0,0,0,1|2,0,0]=3 1349 B12R1.371 CNC(=O)Nc1ccccc1I 2430a_100000210053_100102657272 [0,0,0,0,0,1|2,0,0]=3 1350 B12R1.371 CNC(=O)Nc1ccccc1O 2430a_100000185747_100102657272 [0,0,0,0,0,1|1,0,0]=2 1351 B12R1.371 COC(=O)Cc1ccccc1O 271570a_203496583355_100000699816 [0,0,0,0,0,1|2,0,0]=3 1352 B12R1.371 COC(=O)Cc1cccnc1O 271570a_203496583355_100010293180 [0,0,0,0,0,1|3,0,0]=4 1353 B12R1.371 COC(=O)Cc1ncccc1O 271570a_203496583355_100012347948 [0,0,0,0,0,1|3,0,0]=4 1354 B12R1.371 COC(=O)Nc1ccccc1O 271570a_203496583355_100000216184 [0,0,0,0,0,1|2,0,0]=3 1355 B12R1.371 C[C@H](CO)Sc1ccccc1O 62a_100000739446_100016084084 [0,0,0,0,0,1|2,0,1]=4 1356 B12R1.371 C[C@H](CO)Sc1ccccc1O 62a_100016084084_100000739446 [0,0,0,0,0,1|2,0,1]=4 1357 B12R1.371 Cc1ccccc1CC(=O)CF 1458a_100000212180_100015361967 [0,0,0,0,0,1|3,0,0]=4 1358 B12R1.371 Cc1ccccc1CC(=O)CO 1458a_100000210174_100000211839 [0,0,0,0,0,1|2,0,0]=3 1359 B12R1.371 Cc1ccccc1NC(=O)CO 22a_100015192222_100000210174 [0,0,0,0,0,1|2,0,0]=3 1360 B12R1.371 Cc1ccccc1NC(=O)CO 527a_100015192222_100000210174 [0,0,0,0,0,1|2,0,0]=3 1361 B12R1.371 Cc1cccnc1CC(=O)CO 1458a_100000210174_100000696600 [0,0,0,0,0,1|3,0,0]=4 1362 B12R1.371 Cc1ccncc1CC(=O)CO 1458a_100000210174_100000690890 [0,0,0,0,0,1|3,0,0]=4 1363 B12R1.371 Cc1cnccc1CC(=O)CO 1458a_100000210174_100020672808 [0,0,0,0,0,1|3,0,0]=4 1364 B12R1.371 Cc1ncccc1CC(=O)CO 1458a_100000210174_100000732876 [0,0,0,0,0,1|3,0,0]=4 1365 B12R1.371 NNC(=O)Cc1ccccc1O 271570a_203496583355_200010210069 [0,0,0,0,0,1|1,0,0]=2 1366 B12R1.371 O=C(CF)Cc1ccccc1Br 1458a_100000751119_100015361967 [0,0,0,0,0,1|3,0,0]=4 1367 B12R1.371 O=C(CF)Cc1ccccc1Cl 1458a_100000183793_100015361967 [0,0,0,0,0,1|3,0,0]=4 1368 B12R1.371 O=C(CF)Cc1ccccc1F 1458a_100000212012_100015361967 [0,0,0,0,0,1|3,0,0]=4 1369 B12R1.371 O=C(CF)Cc1ccccc1I 1458a_100000036491_100015361967 [0,0,0,0,0,1|3,0,0]=4 1370 B12R1.371 O=C(CF)Cc1ccccc1O 1458a_100000743006_100015361967 [0,0,0,0,0,1|2,0,0]=3 1371 B12R1.371 O=C(CO)Cc1ccccc1Br 1458a_100000210174_100000184730 [0,0,0,0,0,1|2,0,0]=3 1372 B12R1.371 O=C(CO)Cc1ccccc1Cl 1458a_100000210174_100000187162 [0,0,0,0,0,1|2,0,0]=3 1373 B12R1.371 O=C(CO)Cc1ccccc1F 1458a_100000210174_100000187165 [0,0,0,0,0,1|2,0,0]=3 1374 B12R1.371 O=C(CO)Cc1ccccc1I 1458a_100000210174_100011216222 [0,0,0,0,0,1|2,0,0]=3 1375 B12R1.371 O=C(CO)Cc1cccnc1Br 1458a_100000210174_100010140945 [0,0,0,0,0,1|3,0,0]=4 1376 B12R1.371 O=C(CO)Cc1cccnc1Cl 1458a_100000210174_100000045678 [0,0,0,0,0,1|3,0,0]=4 1377 B12R1.371 O=C(CO)Cc1cccnc1F 1458a_100000210174_100000099810 [0,0,0,0,0,1|3,0,0]=4 1378 B12R1.371 O=C(CO)Cc1ccncc1Cl 1458a_100000210174_100000763264 [0,0,0,0,0,1|3,0,0]=4 1379 B12R1.371 O=C(CO)Cc1ncccc1Br 1458a_100000210174_100025702911 [0,0,0,0,0,1|3,0,0]=4 1380 B12R1.371 O=C(CO)Cc1ncccc1Cl 1458a_100000210174_100000099807 [0,0,0,0,0,1|3,0,0]=4 1381 B12R1.371 O=C(CO)Cc1ncccc1F 1458a_100000210174_100000104219 [0,0,0,0,0,1|3,0,0]=4 1382 B12R1.371 O=C(CO)Cc1ncccc1O 1458a_100000210174_200020655725 [0,0,0,0,0,1|2,0,0]=3 1383 B12R1.371 O=C(CO)Nc1ccccc1Cl 22a_100000185783_100000210174 [0,0,0,0,0,1|2,0,0]=3 1384 B12R1.371 O=C(CO)Nc1ccccc1Cl 527a_100000185783_100000210174 [0,0,0,0,0,1|2,0,0]=3 1385 B12R1.371 O=C(CO)Nc1ccccc1F 22a_100000210422_100000210174 [0,0,0,0,0,1|2,0,0]=3 1386 B12R1.371 O=C(CO)Nc1ccccc1F 527a_100000210422_100000210174 [0,0,0,0,0,1|2,0,0]=3 1387 B12R1.371 O=C(CO)Nc1ccccc1O 22a_100000185747_100000210174 [0,0,0,0,0,1|1,0,0]=2 1388 B12R1.371 O=C(CO)Nc1ccccc1O 527a_100000185747_100000210174 [0,0,0,0,0,1|1,0,0]=2 1389 B9R0.4 C=CC=CC(=O)CC(=O)N 1458a_100016291481_100000187820 [1,0,1,0,0,0|0,0,2]=4 1390 B9R1.8 C=C=Cc1ccccc1 271570a_100015277604_100000210277 [2,0,0,0,0,0|2,0,0]=4 1391 B9R1.8 CC=Cc1ccccc1 271570a_100016259895_100000210277 [2,0,0,0,0,0|2,0,0]=4 1392 B9R1.8 CNCc1ccccc1 207a_100102657272_100015611070 [2,0,0,0,0,0|1,0,1]=4 1393 B9R1.8 CNCc1ccccc1 2230a_100015324214_200000210301 [2,0,0,0,0,0|1,0,1]=4 1394 B9R1.8 CNCc1ccccc1 2230a_106832991635_100015291786 [2,0,0,0,0,0|1,0,1]=4 1395 B9R1.8 CNCc1ccccc1 270004a_106832991635_100015611070 [2,0,0,0,0,0|1,0,1]=4 1396 B9R1.8 CNCc1ccccc1 34a_100015324214_200000210301 [2,0,0,0,0,0|1,0,1]=4 1397 B9R1.8 CNCc1ccccc1 34a_100102657272_100015291786 [2,0,0,0,0,0|1,0,1]=4 1398 B9R1.8 CNCc1ccccc1 7a_106832991635_100000211182 [2,0,0,0,0,0|1,0,1]=4 1399 B9R1.8 [13CH3]NCc1ccccc1 2230a_100015324214_200025704644 [2,0,0,0,0,0|1,0,1]=4 1400 B9R1.8 [13CH3]NCc1ccccc1 34a_100015324214_200025704644 [2,0,0,0,0,0|1,0,1]=4 1401 B9R1.15 C=Cc1ccccc1Br 271570a_100011290941_100000695589 [2,0,0,0,0,0|2,0,0]=4 1402 B9R1.15 C=Cc1ccccc1C 271570a_100011290941_100000210755 [2,0,0,0,0,0|2,0,0]=4 1403 B9R1.15 C=Cc1ccccc1Cl 271570a_100011290941_100000764095 [2,0,0,0,0,0|2,0,0]=4 1404 B9R1.15 C=Cc1ccccc1F 271570a_100011290941_100011215700 [2,0,0,0,0,0|2,0,0]=4 1405 B9R1.15 C=Cc1ccccc1N 271570a_100011290941_100000210017 [2,0,0,0,0,0|2,0,0]=4 1406 B9R1.15 C=Cc1ccccc1O 271570a_100011290941_100000739446 [2,0,0,0,0,0|1,0,0]=3 1407 B9R1.15 C=Cc1ccncc1O 271570a_100011290941_100009817591 [2,0,0,0,0,0|2,0,0]=4 1408 B9R1.15 C=Cc1ncccc1O 271570a_100011290941_100000034122 [2,0,0,0,0,0|2,0,0]=4 1409 B9R1.15 CCc1ccccc1O 271570a_203496583355_100011215823 [2,0,0,0,0,0|1,0,1]=4 1410 B9R1.15 CNc1ccccc1Br 34a_100000210017_200000210301 [2,0,0,0,0,0|2,0,0]=4 1411 B9R1.15 CNc1ccccc1C 34a_100015192222_200000210301 [2,0,0,0,0,0|2,0,0]=4 1412 B9R1.15 CNc1ccccc1Cl 34a_100000185783_200000210301 [2,0,0,0,0,0|2,0,0]=4 1413 B9R1.15 CNc1ccccc1F 34a_100000210422_200000210301 [2,0,0,0,0,0|2,0,0]=4 1414 B9R1.15 CNc1ccccc1I 34a_100000210053_200000210301 [2,0,0,0,0,0|2,0,0]=4 1415 B9R1.15 CNc1ccccc1O 271570a_203496583355_100020606079 [2,0,0,0,0,0|1,0,0]=3 1416 B9R1.15 CNc1ccccc1O 34a_100000185747_200000210301 [2,0,0,0,0,0|1,0,0]=3 1417 B9R1.15 CNc1cccnc1O 271570a_203496583355_200011806188 [2,0,0,0,0,0|2,0,0]=4 1418 B9R1.15 CNc1ccncc1O 271570a_203496583355_100010069531 [2,0,0,0,0,0|2,0,0]=4 1419 B9R1.15 CNc1ncccc1O 271570a_203496583355_100000700899 [2,0,0,0,0,0|2,0,0]=4 1420 B9R1.15 COc1ccccc1O 271570a_203496583355_100000174000 [2,0,0,0,0,0|2,0,0]=4 1421 B9R1.15 CSc1ccccc1O 271570a_203496583355_100011217816 [2,0,0,0,0,0|2,0,0]=4 1422 B9R1.15 CSc1ccccc1O 62a_100000739446_200000210301 [2,0,0,0,0,0|2,0,0]=4 1423 B9R1.15 CSc1ccccc1O 62a_200000210301_100000739446 [2,0,0,0,0,0|2,0,0]=4 1424 B9R1.15 Cc1ccccc1N[13CH3] 34a_100015192222_200025704644 [2,0,0,0,0,0|2,0,0]=4 1425 B9R1.15 N#Cc1ccccc1O 271570a_203496583355_100000188569 [2,0,0,0,0,0|0,0,2]=4 1426 B9R1.15 NCc1ccccc1O 271570a_203496583355_100000689332 [2,0,0,0,0,0|0,0,1]=3 1427 B9R1.15 NCc1cccnc1O 271570a_203496583355_100015189234 [2,0,0,0,0,0|1,0,1]=4 1428 B9R1.15 NCc1ccncc1O 271570a_203496583355_100020640021 [2,0,0,0,0,0|1,0,1]=4 1429 B9R1.15 NCc1ncccc1O 271570a_203496583355_100020591323 [2,0,0,0,0,0|1,0,1]=4 1430 B9R1.15 NNc1ccccc1O 271570a_203496583355_100000241748 [2,0,0,0,0,0|1,0,0]=3 1431 B9R1.15 NNc1ccncc1O 271570a_203496583355_100013404636 [2,0,0,0,0,0|2,0,0]=4 1432 B9R1.15 NNc1ncccc1O 271570a_203496583355_100011464834 [2,0,0,0,0,0|2,0,0]=4 1433 B9R1.15 O=Cc1ccccc1O 271570a_203496583355_100000211189 [2,0,0,0,0,0|0,0,0]=2 1434 B9R1.15 O=Cc1cccnc1O 271570a_203496583355_100009816751 [2,0,0,0,0,0|1,0,0]=3 1435 B9R1.15 O=Cc1ccncc1O 271570a_203496583355_100011934409 [2,0,0,0,0,0|1,0,0]=3 1436 B9R1.15 O=Cc1cnccc1O 271570a_203496583355_100000050567 [2,0,0,0,0,0|1,0,0]=3 1437 B9R1.15 O=Cc1ncccc1O 271570a_203496583355_100011934733 [2,0,0,0,0,0|1,0,0]=3 1438 B9R1.15 OCc1ccccc1O 271570a_203496583355_100000187465 [2,0,0,0,0,0|0,0,1]=3 1439 B9R1.15 OCc1cccnc1O 271570a_203496583355_100000748726 [2,0,0,0,0,0|1,0,1]=4 1440 B9R1.15 OCc1ccncc1O 271570a_203496583355_100009873359 [2,0,0,0,0,0|1,0,1]=4 1441 B9R1.15 OCc1cnccc1O 271570a_203496583355_100000117392 [2,0,0,0,0,0|1,0,1]=4 1442 B9R1.15 OCc1ncccc1O 271570a_203496583355_100011996772 [2,0,0,0,0,0|1,0,1]=4 1443 B9R1.15 [13CH3]Nc1ccccc1Br 34a_100000210017_200025704644 [2,0,0,0,0,0|2,0,0]=4 1444 B9R1.15 [13CH3]Nc1ccccc1Cl 34a_100000185783_200025704644 [2,0,0,0,0,0|2,0,0]=4 1445 B9R1.15 [13CH3]Nc1ccccc1F 34a_100000210422_200025704644 [2,0,0,0,0,0|2,0,0]=4 1446 B9R1.15 [13CH3]Nc1ccccc1I 34a_100000210053_200025704644 [2,0,0,0,0,0|2,0,0]=4 1447 B9R1.15 [13CH3]Nc1ccccc1O 34a_100000185747_200025704644 [2,0,0,0,0,0|1,0,0]=3 1448 B9R1.15 [13CH3]Sc1ccccc1O 62a_100000739446_200025704644 [2,0,0,0,0,0|2,0,0]=4 1449 B9R1.15 [13CH3]Sc1ccccc1O 62a_200025704644_100000739446 [2,0,0,0,0,0|2,0,0]=4 1450 B9R1.6 C=C(C)c1ccccc1 271570a_100000694244_100000210277 [2,0,0,0,0,0|2,0,0]=4 1451 B9R1.6 CC(=O)c1ccccc1 1458a_100000185807_200000210301 [2,0,0,0,0,0|1,0,0]=3 1452 B9R1.6 [13CH3]C(=O)c1ccccc1 1458a_100000185807_200025704644 [2,0,0,0,0,0|1,0,0]=3 1453 B11R0.5 C=CC=CC(=O)CC(=O)NCO 1458a_100016291481_100000185155 [0,1,1,0,0,0|0,0,2]=4 1454 B11R1.13 C=C=Cc1cccc(c1O)Br 271570a_100015277604_100010084509 [1,1,0,0,0,0|2,0,0]=4 1455 B11R1.13 C=C=Cc1cccc(c1O)C 271570a_100015277604_100009817157 [1,1,0,0,0,0|2,0,0]=4 1456 B11R1.13 C=C=Cc1cccc(c1O)Cl 271570a_100015277604_100010202889 [1,1,0,0,0,0|2,0,0]=4 1457 B11R1.13 C=C=Cc1cccc(c1O)F 271570a_100015277604_100009813666 [1,1,0,0,0,0|2,0,0]=4 1458 B11R1.13 C=C=Cc1cccc(c1O)N 271570a_100015277604_100011934915 [1,1,0,0,0,0|2,0,0]=4 1459 B11R1.13 C=C=Cc1cccc(c1O)O 271570a_100015277604_100009815950 [1,1,0,0,0,0|2,0,0]=4 1460 B11R1.13 CC=Cc1cccc(c1O)Br 271570a_100016259895_100010084509 [1,1,0,0,0,0|2,0,0]=4 1461 B11R1.13 CC=Cc1cccc(c1O)C 271570a_100016259895_100009817157 [1,1,0,0,0,0|2,0,0]=4 1462 B11R1.13 CC=Cc1cccc(c1O)Cl 271570a_100016259895_100010202889 [1,1,0,0,0,0|2,0,0]=4 1463 B11R1.13 CC=Cc1cccc(c1O)F 271570a_100016259895_100009813666 [1,1,0,0,0,0|2,0,0]=4 1464 B11R1.13 CC=Cc1cccc(c1O)N 271570a_100016259895_100011934915 [1,1,0,0,0,0|2,0,0]=4 1465 B11R1.13 CC=Cc1cccc(c1O)O 271570a_100016259895_100009815950 [1,1,0,0,0,0|2,0,0]=4 1466 B11R1.13 CNCc1cccc(c1O)C 34a_100020639391_200000210301 [1,1,0,0,0,0|1,0,1]=4 1467 B11R1.13 Cc1cccc(c1O)CN[13CH3] 34a_100020639391_200025704644 [1,1,0,0,0,0|1,0,1]=4 1468 B11R1.17 CCNCc1ccccc1O 34a_100000185550_100000210202 [1,1,0,0,0,0|1,0,1]=4 1469 B11R1.17 CNCCc1ccccc1O 34a_100011207237_200000210301 [1,1,0,0,0,0|1,0,1]=4 1470 B11R1.17 CNCCc1ccccc1O 34a_100102657272_100000722297 [1,1,0,0,0,0|1,0,1]=4 1471 B11R1.17 CNCCc1ccccc1O 7a_106832991635_100000722297 [1,1,0,0,0,0|1,0,1]=4 1472 B11R1.17 COCCc1ccccc1O 34a_100138415774_100000722297 [1,1,0,0,0,0|1,0,1]=4 1473 B11R1.17 COCOc1ccccc1O 271570a_203496583355_200000230759 [1,1,0,0,0,0|2,0,0]=4 1474 B11R1.17 COCSc1ccccc1O 62a_100000739446_100000766300 [1,1,0,0,0,0|2,0,0]=4 1475 B11R1.17 COCSc1ccccc1O 62a_100000766300_100000739446 [1,1,0,0,0,0|2,0,0]=4 1476 B11R1.17 OCC#Cc1ccccc1O 271570a_203496583355_100009814404 [1,1,0,0,0,0|1,0,1]=4 1477 B11R1.17 OCCCc1ccccc1O 271570a_203496583355_100000699526 [1,1,0,0,0,0|1,0,1]=4 1478 B11R1.17 OCCNc1ccccc1O 34a_100000185747_100000211926 [1,1,0,0,0,0|1,0,1]=4 1479 B11R1.17 OCCOc1ccccc1O 271570a_203496583355_100000230753 [1,1,0,0,0,0|1,0,1]=4 1480 B11R1.17 OCCSc1ccccc1O 271570a_203496583355_200000230852 [1,1,0,0,0,0|1,0,1]=4 1481 B11R1.17 OCCSc1ccccc1O 62a_100000211926_100000739446 [1,1,0,0,0,0|1,0,1]=4 1482 B11R1.17 OCCSc1ccccc1O 62a_100000739446_100000211926 [1,1,0,0,0,0|1,0,1]=4 1483 B11R1.17 Oc1ccccc1CNCF 34a_100000185550_100015361967 [1,1,0,0,0,0|1,0,1]=4 1484 B11R1.17 [13CH3]NCCc1ccccc1O 34a_100011207237_200025704644 [1,1,0,0,0,0|1,0,1]=4 1485 B11R1.41 C/C=C/c1ccccc1OC 34a_200000189419_200000210301 [1,1,0,0,0,0|2,0,0]=4 1486 B11R1.41 C/C=C/c1ccccc1OC 7a_200000189419_200000210301 [1,1,0,0,0,0|2,0,0]=4 1487 B11R1.41 C/C=C/c1ccccc1O[13CH3] 34a_200000189419_200025704644 [1,1,0,0,0,0|2,0,0]=4 1488 B11R1.41 C/C=C/c1ccccc1O[13CH3] 7a_200000189419_200025704644 [1,1,0,0,0,0|2,0,0]=4 1489 B11R1.41 C=C=Cc1ccccc1CO 271570a_100015277604_100000187465 [1,1,0,0,0,0|2,0,0]=4 1490 B11R1.41 C=C=Cc1ccccc1OC 271570a_100015277604_100000174000 [1,1,0,0,0,0|2,0,0]=4 1491 B11R1.41 CC=Cc1ccccc1CO 271570a_100016259895_100000187465 [1,1,0,0,0,0|2,0,0]=4 1492 B11R1.41 CC=Cc1ccccc1OC 271570a_100016259895_100000174000 [1,1,0,0,0,0|2,0,0]=4 1493 B11R1.41 CNCc1ccccc1CO 2230a_106832991635_100009816955 [1,1,0,0,0,0|1,0,1]=4 1494 B11R1.41 CNCc1ccccc1CO 34a_100102657272_100009816955 [1,1,0,0,0,0|1,0,1]=4 1495 B11R1.41 CNCc1ccccc1CO 7a_106832991635_100009816955 [1,1,0,0,0,0|1,0,1]=4 1496 B11R1.41 CNCc1ccccc1OC 207a_100102657272_100000169842 [1,1,0,0,0,0|1,0,1]=4 1497 B11R1.41 CNCc1ccccc1OC 2230a_106832991635_100000210004 [1,1,0,0,0,0|1,0,1]=4 1498 B11R1.41 CNCc1ccccc1OC 270004a_106832991635_100000169842 [1,1,0,0,0,0|1,0,1]=4 1499 B11R1.41 CNCc1ccccc1OC 34a_100000188900_200000210301 [1,1,0,0,0,0|1,0,1]=4 1500 B11R1.41 CNCc1ccccc1OC 34a_100015189988_200000210301 [1,1,0,0,0,0|1,0,1]=4 1501 B11R1.41 CNCc1ccccc1OC 34a_100102657272_100000210004 [1,1,0,0,0,0|1,0,1]=4 1502 B11R1.41 CNCc1ccccc1OC 7a_106832991635_100000210004 [1,1,0,0,0,0|1,0,1]=4 1503 B11R1.41 CNCc1ccccc1O[13CH3] 34a_100015189988_200025704644 [1,1,0,0,0,0|1,0,1]=4 1504 B11R1.41 COc1ccccc1CCO 34a_100000719421_200000210301 [1,1,0,0,0,0|1,0,1]=4 1505 B11R1.41 COc1ccccc1CCO 7a_100000719421_200000210301 [1,1,0,0,0,0|1,0,1]=4 1506 B11R1.41 COc1ccccc1CN[13CH3] 34a_100000188900_200025704644 [1,1,0,0,0,0|1,0,1]=4 1507 B11R1.41 [13CH3]Oc1ccccc1CCO 34a_100000719421_200025704644 [1,1,0,0,0,0|1,0,1]=4 1508 B11R1.41 [13CH3]Oc1ccccc1CCO 7a_100000719421_200025704644 [1,1,0,0,0,0|1,0,1]=4 1509 B11R1.81 C=C=Cc1ccc(cc1O)Br 271570a_100015277604_100012344904 [1,1,0,0,0,0|2,0,0]=4 1510 B11R1.81 C=C=Cc1ccc(cc1O)C 271570a_100015277604_100012002257 [1,1,0,0,0,0|2,0,0]=4 1511 B11R1.81 C=C=Cc1ccc(cc1O)Cl 271570a_100015277604_100000050036 [1,1,0,0,0,0|2,0,0]=4 1512 B11R1.81 C=C=Cc1ccc(cc1O)F 271570a_100015277604_100000690578 [1,1,0,0,0,0|2,0,0]=4 1513 B11R1.81 C=C=Cc1ccc(cc1O)O 271570a_100015277604_100009813921 [1,1,0,0,0,0|2,0,0]=4 1514 B11R1.81 CC=Cc1ccc(cc1O)Br 271570a_100016259895_100012344904 [1,1,0,0,0,0|2,0,0]=4 1515 B11R1.81 CC=Cc1ccc(cc1O)C 271570a_100016259895_100012002257 [1,1,0,0,0,0|2,0,0]=4 1516 B11R1.81 CC=Cc1ccc(cc1O)Cl 271570a_100016259895_100000050036 [1,1,0,0,0,0|2,0,0]=4 1517 B11R1.81 CC=Cc1ccc(cc1O)F 271570a_100016259895_100000690578 [1,1,0,0,0,0|2,0,0]=4 1518 B11R1.81 CC=Cc1ccc(cc1O)O 271570a_100016259895_100009813921 [1,1,0,0,0,0|2,0,0]=4 1519 B11R1.81 CNCc1ccc(cc1O)F 271570a_203496583355_200011192132 [1,1,0,0,0,0|1,0,1]=4 1520 B11R1.86 CC(=Cc1ccccc1O)C 271570a_100102525489_100000739446 [1,1,0,0,0,0|2,0,0]=4 1521 B11R1.86 CN(C)Cc1ccccc1O 2230a_100015189988_200000210301 [1,1,0,0,0,0|1,0,1]=4 1522 B11R1.86 CN(C)Cc1ccccc1O 269982a_100015189988_200000210301 [1,1,0,0,0,0|1,0,1]=4 1523 B11R1.86 CN(C)Cc1ccccc1O 271570a_203496583355_100000174758 [1,1,0,0,0,0|1,0,1]=4 1524 B11R1.86 CN([13CH3])Cc1ccccc1O 2230a_100015189988_200025704644 [1,1,0,0,0,0|1,0,1]=4 1525 B11R1.86 CN([13CH3])Cc1ccccc1O 269982a_100015189988_200025704644 [1,1,0,0,0,0|1,0,1]=4 1526 B11R1.182 C=C=Cc1cc(ccc1O)Br 271570a_100015277604_100012355227 [1,1,0,0,0,0|2,0,0]=4 1527 B11R1.182 C=C=Cc1cc(ccc1O)C 271570a_100015277604_100000765521 [1,1,0,0,0,0|2,0,0]=4 1528 B11R1.182 C=C=Cc1cc(ccc1O)Cl 271570a_100015277604_100011356953 [1,1,0,0,0,0|2,0,0]=4 1529 B11R1.182 C=C=Cc1cc(ccc1O)F 271570a_100015277604_100000211999 [1,1,0,0,0,0|2,0,0]=4 1530 B11R1.182 C=C=Cc1cc(ccc1O)N 271570a_100015277604_100011534360 [1,1,0,0,0,0|2,0,0]=4 1531 B11R1.182 C=C=Cc1cc(ccc1O)O 271570a_100015277604_100009813629 [1,1,0,0,0,0|2,0,0]=4 1532 B11R1.182 CC=Cc1cc(ccc1O)Br 271570a_100016259895_100012355227 [1,1,0,0,0,0|2,0,0]=4 1533 B11R1.182 CC=Cc1cc(ccc1O)C 271570a_100016259895_100000765521 [1,1,0,0,0,0|2,0,0]=4 1534 B11R1.182 CC=Cc1cc(ccc1O)Cl 271570a_100016259895_100011356953 [1,1,0,0,0,0|2,0,0]=4 1535 B11R1.182 CC=Cc1cc(ccc1O)F 271570a_100016259895_100000211999 [1,1,0,0,0,0|2,0,0]=4 1536 B11R1.182 CC=Cc1cc(ccc1O)N 271570a_100016259895_100011534360 [1,1,0,0,0,0|2,0,0]=4 1537 B11R1.182 CC=Cc1cc(ccc1O)O 271570a_100016259895_100009813629 [1,1,0,0,0,0|2,0,0]=4 1538 B11R1.182 CNCc1cc(ccc1O)Br 34a_100000730032_200000210301 [1,1,0,0,0,0|1,0,1]=4 1539 B11R1.182 CNCc1cc(ccc1O)Cl 34a_100000238540_200000210301 [1,1,0,0,0,0|1,0,1]=4 1540 B11R1.182 CNCc1cc(ccc1O)F 34a_100102657272_100010161318 [1,1,0,0,0,0|1,0,1]=4 1541 B11R1.182 CNCc1cc(ccc1O)F 7a_106832991635_100010161318 [1,1,0,0,0,0|1,0,1]=4 1542 B11R1.182 CNCc1cc(ccc1O)O 271570a_203496583355_100011602694 [1,1,0,0,0,0|1,0,1]=4 1543 B11R1.182 [13CH3]NCc1cc(ccc1O)Br 34a_100000730032_200025704644 [1,1,0,0,0,0|1,0,1]=4 1544 B11R1.182 [13CH3]NCc1cc(ccc1O)Cl 34a_100000238540_200025704644 [1,1,0,0,0,0|1,0,1]=4 1545 B11R1.605 C=C=Cc1c(cccc1Br)O 271570a_100015277604_100010187912 [1,1,0,0,0,0|2,0,0]=4 1546 B11R1.605 C=C=Cc1c(cccc1Cl)O 271570a_100015277604_100000050174 [1,1,0,0,0,0|2,0,0]=4 1547 B11R1.605 C=C=Cc1c(cccc1F)O 271570a_100015277604_100009820682 [1,1,0,0,0,0|2,0,0]=4 1548 B11R1.605 C=C=Cc1c(cccc1O)C 271570a_100015277604_100000686692 [1,1,0,0,0,0|2,0,0]=4 1549 B11R1.605 C=C=Cc1c(cccc1O)N 271570a_100015277604_100012183704 [1,1,0,0,0,0|2,0,0]=4 1550 B11R1.605 C=C=Cc1c(cccc1O)O 271570a_100015277604_100010205330 [1,1,0,0,0,0|2,0,0]=4 1551 B11R1.605 CC=Cc1c(cccc1Br)O 271570a_100016259895_100010187912 [1,1,0,0,0,0|2,0,0]=4 1552 B11R1.605 CC=Cc1c(cccc1Cl)O 271570a_100016259895_100000050174 [1,1,0,0,0,0|2,0,0]=4 1553 B11R1.605 CC=Cc1c(cccc1F)O 271570a_100016259895_100009820682 [1,1,0,0,0,0|2,0,0]=4 1554 B11R1.605 CC=Cc1c(cccc1O)C 271570a_100016259895_100000686692 [1,1,0,0,0,0|2,0,0]=4 1555 B11R1.605 CC=Cc1c(cccc1O)N 271570a_100016259895_100012183704 [1,1,0,0,0,0|2,0,0]=4 1556 B11R1.605 CC=Cc1c(cccc1O)O 271570a_100016259895_100010205330 [1,1,0,0,0,0|2,0,0]=4 1557 B11R1.605 CNCc1c(cccc1F)O 271570a_203496583355_106744473292 [1,1,0,0,0,0|1,0,1]=4 1558 B11R1.7 CNS(=O)(=O)c1ccccc1 270084a_100102657272_100000210345 [1,1,0,0,0,0|2,0,0]=4 1559 B11R1.7 CNS(=O)(=O)c1ccccc1 274078a_100102657272_100000210345 [1,1,0,0,0,0|2,0,0]=4 1560 B11R1.7 CNS(=O)(=O)c1ccccc1 40a_100102657272_100000032697 [1,1,0,0,0,0|2,0,0]=4 1561 B11R1.16 C#CCC(=O)c1ccccc1 1458a_100000185807_100000184674 [1,1,0,0,0,0|2,0,0]=4 1562 B11R1.16 C=CCC(=O)c1ccccc1 1458a_100000185807_100000210623 [1,1,0,0,0,0|2,0,0]=4 1563 B11R1.16 CCCC(=O)c1ccccc1 1458a_100000185807_100000210303 [1,1,0,0,0,0|2,0,0]=4 1564 B11R1.16 CCNC(=O)c1ccccc1 11a_100015525214_100000185807 [1,1,0,0,0,0|1,0,0]=3 1565 B11R1.16 CCNC(=O)c1ccccc1 240690a_100015525214_100000185807 [1,1,0,0,0,0|1,0,0]=3 1566 B11R1.16 CCNC(=O)c1ccccc1 527a_100015525214_100000185807 [1,1,0,0,0,0|1,0,0]=3 1567 B11R1.16 CNCC(=O)c1ccccc1 7a_106832991635_100000211460 [1,1,0,0,0,0|1,0,0]=3 1568 B11R1.16 CNCC(=O)c1ccccn1 34a_100102657272_100000027445 [1,1,0,0,0,0|2,0,0]=4 1569 B11R1.16 CNCC(=O)c1ccccn1 7a_106832991635_100000027445 [1,1,0,0,0,0|2,0,0]=4 1570 B11R1.16 CNCC(=O)c1ccncc1 7a_106832991635_100015248511 [1,1,0,0,0,0|2,0,0]=4 1571 B11R1.16 CNNC(=O)c1ccccc1 22a_100016993582_100000185807 [1,1,0,0,0,0|1,0,0]=3 1572 B11R1.16 COCC(=O)c1ccccn1 34a_100138415774_100000027445 [1,1,0,0,0,0|2,0,0]=4 1573 B11R1.16 CSCC(=O)c1ccccc1 62a_100000211460_200000210301 [1,1,0,0,0,0|1,1,0]=4 1574 B11R1.16 CSCC(=O)c1ccccc1 62a_200000210301_100000211460 [1,1,0,0,0,0|1,1,0]=4 1575 B11R1.16 N#CCC(=O)c1ccccc1 1458a_100000185807_100011214920 [1,1,0,0,0,0|2,0,0]=4 1576 B11R1.16 O=C(CCF)c1ccccc1 1458a_100000185807_100011217306 [1,1,0,0,0,0|2,0,0]=4 1577 B11R1.16 O=C(CCO)c1ccccc1 1458a_100000185807_100000211926 [1,1,0,0,0,0|1,0,0]=3 1578 B11R1.16 [13CH3]SCC(=O)c1ccccc1 62a_100000211460_200025704644 [1,1,0,0,0,0|1,1,0]=4 1579 B11R1.16 [13CH3]SCC(=O)c1ccccc1 62a_200025704644_100000211460 [1,1,0,0,0,0|1,1,0]=4 1580 B11R1.22 CCC(=O)c1ccc(cc1)Br 1458a_100000185839_100000210202 [1,1,0,0,0,0|2,0,0]=4 1581 B11R1.22 CCC(=O)c1ccc(cc1)C 1458a_100000188618_100000210202 [1,1,0,0,0,0|2,0,0]=4 1582 B11R1.22 CCC(=O)c1ccc(cc1)Cl 1458a_100000210187_100000210202 [1,1,0,0,0,0|2,0,0]=4 1583 B11R1.22 CCC(=O)c1ccc(cc1)F 1458a_100000187176_100000210202 [1,1,0,0,0,0|2,0,0]=4 1584 B11R1.22 CCC(=O)c1ccc(cc1)I 1458a_100000187904_100000210202 [1,1,0,0,0,0|2,0,0]=4 1585 B11R1.22 CCC(=O)c1ccc(cc1)O 1458a_100000212099_100000210202 [1,1,0,0,0,0|2,0,0]=4 1586 B11R1.22 CCC(=O)c1ccc(cc1)O 271570a_203496583355_100000211647 [1,1,0,0,0,0|2,0,0]=4 1587 B11R1.22 CNC(=O)c1ccc(cc1)Br 11a_106832991635_100000185839 [1,1,0,0,0,0|1,0,0]=3 1588 B11R1.22 CNC(=O)c1ccc(cc1)Br 1626a_100102657272_100000185839 [1,1,0,0,0,0|1,0,0]=3 1589 B11R1.22 CNC(=O)c1ccc(cc1)Br 240690a_100102657272_100000185839 [1,1,0,0,0,0|1,0,0]=3 1590 B11R1.22 CNC(=O)c1ccc(cc1)Br 527a_100102657272_100000185839 [1,1,0,0,0,0|1,0,0]=3 1591 B11R1.22 CNC(=O)c1ccc(cc1)C 11a_106832991635_100000188618 [1,1,0,0,0,0|1,0,0]=3 1592 B11R1.22 CNC(=O)c1ccc(cc1)C 1626a_100102657272_100000188618 [1,1,0,0,0,0|1,0,0]=3 1593 B11R1.22 CNC(=O)c1ccc(cc1)C 240690a_100102657272_100000188618 [1,1,0,0,0,0|1,0,0]=3 1594 B11R1.22 CNC(=O)c1ccc(cc1)C 527a_100102657272_100000188618 [1,1,0,0,0,0|1,0,0]=3 1595 B11R1.22 CNC(=O)c1ccc(cc1)Cl 11a_106832991635_100000210187 [1,1,0,0,0,0|1,0,0]=3 1596 B11R1.22 CNC(=O)c1ccc(cc1)Cl 1626a_100102657272_100000210187 [1,1,0,0,0,0|1,0,0]=3 1597 B11R1.22 CNC(=O)c1ccc(cc1)Cl 240690a_100102657272_100000210187 [1,1,0,0,0,0|1,0,0]=3 1598 B11R1.22 CNC(=O)c1ccc(cc1)Cl 527a_100102657272_100000210187 [1,1,0,0,0,0|1,0,0]=3 1599 B11R1.22 CNC(=O)c1ccc(cc1)F 11a_106832991635_100000187176 [1,1,0,0,0,0|1,0,0]=3 1600 B11R1.22 CNC(=O)c1ccc(cc1)F 1626a_100102657272_100000187176 [1,1,0,0,0,0|1,0,0]=3 1601 B11R1.22 CNC(=O)c1ccc(cc1)F 240690a_100102657272_100000187176 [1,1,0,0,0,0|1,0,0]=3 1602 B11R1.22 CNC(=O)c1ccc(cc1)F 527a_100102657272_100000187176 [1,1,0,0,0,0|1,0,0]=3 1603 B11R1.22 CNC(=O)c1ccc(cc1)I 11a_106832991635_100000187904 [1,1,0,0,0,0|1,0,0]=3 1604 B11R1.22 CNC(=O)c1ccc(cc1)I 1626a_100102657272_100000187904 [1,1,0,0,0,0|1,0,0]=3 1605 B11R1.22 CNC(=O)c1ccc(cc1)I 240690a_100102657272_100000187904 [1,1,0,0,0,0|1,0,0]=3 1606 B11R1.22 CNC(=O)c1ccc(cc1)I 527a_100102657272_100000187904 [1,1,0,0,0,0|1,0,0]=3 1607 B11R1.22 CNC(=O)c1ccc(cc1)O 240690a_100102657272_100000212099 [1,1,0,0,0,0|1,0,0]=3 1608 B11R1.22 CNC(=O)c1ccc(cc1)O 271570a_203496583355_100000155074 [1,1,0,0,0,0|1,0,0]=3 1609 B11R1.22 CNC(=O)c1ccc(cc1)O 527a_100102657272_100000212099 [1,1,0,0,0,0|1,0,0]=3 1610 B11R1.22 CNC(=O)c1ccc(cn1)O 271570a_203496583355_100011781262 [1,1,0,0,0,0|2,0,0]=4 1611 B11R1.22 CNC(=O)c1ccc(nc1)O 271570a_203496583355_100000159860 [1,1,0,0,0,0|2,0,0]=4 1612 B11R1.22 COC(=O)c1ccc(cc1)O 271570a_203496583355_100000150774 [1,1,0,0,0,0|2,0,0]=4 1613 B11R1.22 Cc1ccc(cc1)C(=O)CF 1458a_100000188618_100015361967 [1,1,0,0,0,0|2,0,0]=4 1614 B11R1.22 N#CC(=O)c1ccc(cc1)O 271570a_203496583355_100009994572 [1,1,0,0,0,0|2,0,0]=4 1615 B11R1.22 NCC(=O)c1ccc(cc1)O 271570a_203496583355_100000017248 [1,1,0,0,0,0|2,0,0]=4 1616 B11R1.22 NNC(=O)c1ccc(cc1)O 271570a_203496583355_100000183614 [1,1,0,0,0,0|1,0,0]=3 1617 B11R1.22 NNC(=O)c1ccc(cn1)O 271570a_203496583355_100011781063 [1,1,0,0,0,0|2,0,0]=4 1618 B11R1.22 NNC(=O)c1ccc(nc1)O 271570a_203496583355_100000189807 [1,1,0,0,0,0|2,0,0]=4 1619 B11R1.22 O=C(CF)c1ccc(cc1)Br 1458a_100000185839_100015361967 [1,1,0,0,0,0|2,0,0]=4 1620 B11R1.22 O=C(CF)c1ccc(cc1)Cl 1458a_100000210187_100015361967 [1,1,0,0,0,0|2,0,0]=4 1621 B11R1.22 O=C(CF)c1ccc(cc1)F 1458a_100000187176_100015361967 [1,1,0,0,0,0|2,0,0]=4 1622 B11R1.22 O=C(CF)c1ccc(cc1)I 1458a_100000187904_100015361967 [1,1,0,0,0,0|2,0,0]=4 1623 B11R1.22 O=C(CF)c1ccc(cc1)O 1458a_100000212099_100015361967 [1,1,0,0,0,0|2,0,0]=4 1624 B11R1.22 O=C(CO)c1ccc(cc1)O 271570a_203496583355_100011219529 [1,1,0,0,0,0|1,0,0]=3 1625 B11R1.22 O=CC(=O)c1ccc(cc1)O 271570a_203496583355_100000725942 [1,1,0,0,0,0|1,0,1]=4 1626 B11R1.23 CCC(=O)c1cccc(c1)Br 1458a_100000210664_100000210202 [1,1,0,0,0,0|2,0,0]=4 1627 B11R1.23 CCC(=O)c1cccc(c1)C 1458a_100000189346_100000210202 [1,1,0,0,0,0|2,0,0]=4 1628 B11R1.23 CCC(=O)c1cccc(c1)Cl 1458a_100000210390_100000210202 [1,1,0,0,0,0|2,0,0]=4 1629 B11R1.23 CCC(=O)c1cccc(c1)F 1458a_100000210950_100000210202 [1,1,0,0,0,0|2,0,0]=4 1630 B11R1.23 CCC(=O)c1cccc(c1)I 1458a_100000184098_100000210202 [1,1,0,0,0,0|2,0,0]=4 1631 B11R1.23 CCC(=O)c1cccc(c1)O 1458a_100000183914_100000210202 [1,1,0,0,0,0|2,0,0]=4 1632 B11R1.23 CCC(=O)c1cccc(c1)O 271570a_203496583355_100000211677 [1,1,0,0,0,0|2,0,0]=4 1633 B11R1.23 CNC(=O)c1cc(ccn1)O 271570a_203496583355_100000204654 [1,1,0,0,0,0|2,0,0]=4 1634 B11R1.23 CNC(=O)c1cccc(c1)Br 11a_106832991635_100000210664 [1,1,0,0,0,0|1,0,0]=3 1635 B11R1.23 CNC(=O)c1cccc(c1)Br 1626a_100102657272_100000210664 [1,1,0,0,0,0|1,0,0]=3 1636 B11R1.23 CNC(=O)c1cccc(c1)Br 240690a_100102657272_100000210664 [1,1,0,0,0,0|1,0,0]=3 1637 B11R1.23 CNC(=O)c1cccc(c1)Br 527a_100102657272_100000210664 [1,1,0,0,0,0|1,0,0]=3 1638 B11R1.23 CNC(=O)c1cccc(c1)C 11a_106832991635_100000189346 [1,1,0,0,0,0|1,0,0]=3 1639 B11R1.23 CNC(=O)c1cccc(c1)C 1626a_100102657272_100000189346 [1,1,0,0,0,0|1,0,0]=3 1640 B11R1.23 CNC(=O)c1cccc(c1)C 240690a_100102657272_100000189346 [1,1,0,0,0,0|1,0,0]=3 1641 B11R1.23 CNC(=O)c1cccc(c1)C 527a_100102657272_100000189346 [1,1,0,0,0,0|1,0,0]=3 1642 B11R1.23 CNC(=O)c1cccc(c1)Cl 11a_106832991635_100000210390 [1,1,0,0,0,0|1,0,0]=3 1643 B11R1.23 CNC(=O)c1cccc(c1)Cl 1626a_100102657272_100000210390 [1,1,0,0,0,0|1,0,0]=3 1644 B11R1.23 CNC(=O)c1cccc(c1)Cl 240690a_100102657272_100000210390 [1,1,0,0,0,0|1,0,0]=3 1645 B11R1.23 CNC(=O)c1cccc(c1)Cl 527a_100102657272_100000210390 [1,1,0,0,0,0|1,0,0]=3 1646 B11R1.23 CNC(=O)c1cccc(c1)F 11a_106832991635_100000210950 [1,1,0,0,0,0|1,0,0]=3 1647 B11R1.23 CNC(=O)c1cccc(c1)F 1626a_100102657272_100000210950 [1,1,0,0,0,0|1,0,0]=3 1648 B11R1.23 CNC(=O)c1cccc(c1)F 240690a_100102657272_100000210950 [1,1,0,0,0,0|1,0,0]=3 1649 B11R1.23 CNC(=O)c1cccc(c1)F 527a_100102657272_100000210950 [1,1,0,0,0,0|1,0,0]=3 1650 B11R1.23 CNC(=O)c1cccc(c1)I 11a_106832991635_100000184098 [1,1,0,0,0,0|1,0,0]=3 1651 B11R1.23 CNC(=O)c1cccc(c1)I 1626a_100102657272_100000184098 [1,1,0,0,0,0|1,0,0]=3 1652 B11R1.23 CNC(=O)c1cccc(c1)I 240690a_100102657272_100000184098 [1,1,0,0,0,0|1,0,0]=3 1653 B11R1.23 CNC(=O)c1cccc(c1)I 527a_100102657272_100000184098 [1,1,0,0,0,0|1,0,0]=3 1654 B11R1.23 CNC(=O)c1cccc(c1)O 240690a_100102657272_100000183914 [1,1,0,0,0,0|1,0,0]=3 1655 B11R1.23 CNC(=O)c1cccc(c1)O 271570a_203496583355_100000155082 [1,1,0,0,0,0|1,0,0]=3 1656 B11R1.23 CNC(=O)c1cccc(c1)O 527a_100102657272_100000183914 [1,1,0,0,0,0|1,0,0]=3 1657 B11R1.23 CNC(=O)c1cccc(n1)O 271570a_203496583355_100000755456 [1,1,0,0,0,0|2,0,0]=4 1658 B11R1.23 CNC(=O)c1ccnc(c1)O 271570a_203496583355_100011196506 [1,1,0,0,0,0|2,0,0]=4 1659 B11R1.23 CNC(=O)c1cncc(c1)O 271570a_203496583355_200000155086 [1,1,0,0,0,0|2,0,0]=4 1660 B11R1.23 COC(=O)c1cccc(c1)O 271570a_203496583355_100000148679 [1,1,0,0,0,0|2,0,0]=4 1661 B11R1.23 Cc1cccc(c1)C(=O)CF 1458a_100000189346_100015361967 [1,1,0,0,0,0|2,0,0]=4 1662 B11R1.23 N#CC(=O)c1cccc(c1)O 271570a_203496583355_100010169886 [1,1,0,0,0,0|2,0,0]=4 1663 B11R1.23 NCC(=O)c1cccc(c1)O 271570a_203496583355_100020587001 [1,1,0,0,0,0|2,0,0]=4 1664 B11R1.23 NNC(=O)c1cc(ccn1)O 271570a_203496583355_100000017052 [1,1,0,0,0,0|2,0,0]=4 1665 B11R1.23 NNC(=O)c1cccc(c1)O 271570a_203496583355_100000189783 [1,1,0,0,0,0|1,0,0]=3 1666 B11R1.23 NNC(=O)c1cccc(n1)O 271570a_203496583355_100011631096 [1,1,0,0,0,0|2,0,0]=4 1667 B11R1.23 NNC(=O)c1ccnc(c1)O 271570a_203496583355_100000021280 [1,1,0,0,0,0|2,0,0]=4 1668 B11R1.23 NNC(=O)c1cncc(c1)O 271570a_203496583355_100000189809 [1,1,0,0,0,0|2,0,0]=4 1669 B11R1.23 O=C(CF)c1cccc(c1)Br 1458a_100000210664_100015361967 [1,1,0,0,0,0|2,0,0]=4 1670 B11R1.23 O=C(CF)c1cccc(c1)Cl 1458a_100000210390_100015361967 [1,1,0,0,0,0|2,0,0]=4 1671 B11R1.23 O=C(CF)c1cccc(c1)F 1458a_100000210950_100015361967 [1,1,0,0,0,0|2,0,0]=4 1672 B11R1.23 O=C(CF)c1cccc(c1)I 1458a_100000184098_100015361967 [1,1,0,0,0,0|2,0,0]=4 1673 B11R1.23 O=C(CF)c1cccc(c1)O 1458a_100000183914_100015361967 [1,1,0,0,0,0|2,0,0]=4 1674 B11R1.23 O=CC(=O)c1cccc(c1)O 271570a_203496583355_100000726164 [1,1,0,0,0,0|1,0,1]=4 1675 B11R1.36 CC(C)C(=O)c1ccccc1 1458a_100000185807_100000210206 [1,1,0,0,0,0|2,0,0]=4 1676 B11R1.36 CN(C)C(=O)c1ccccc1 11a_100102631434_100000185807 [1,1,0,0,0,0|1,0,0]=3 1677 B11R1.36 CN(C)C(=O)c1ccccc1 1626a_100102631434_100000185807 [1,1,0,0,0,0|1,0,0]=3 1678 B11R1.36 CN(C)C(=O)c1ccccc1 240690a_100102631434_100000185807 [1,1,0,0,0,0|1,0,0]=3 1679 B11R1.36 CN(C)C(=O)c1ccccc1 527a_100102631434_100000185807 [1,1,0,0,0,0|1,0,0]=3 1680 B11R1.53 C#Cc1ccccc1C(=O)C 1458a_100011243808_200000210301 [1,1,0,0,0,0|2,0,0]=4 1681 B11R1.53 C#Cc1ccccc1C(=O)[13CH3] 1458a_100011243808_200025704644 [1,1,0,0,0,0|2,0,0]=4 1682 B11R1.53 C=C(C)c1ccccc1CO 271570a_100000694244_100000187465 [1,1,0,0,0,0|2,0,0]=4 1683 B11R1.53 C=C(C)c1ccccc1OC 271570a_100000694244_100000174000 [1,1,0,0,0,0|2,0,0]=4 1684 B11R1.53 C=Cc1ccccc1C(=O)C 1458a_100011830265_200000210301 [1,1,0,0,0,0|2,0,0]=4 1685 B11R1.53 C=Cc1ccccc1C(=O)C 271570a_100011290941_100000751169 [1,1,0,0,0,0|2,0,0]=4 1686 B11R1.53 C=Cc1ccccc1C(=O)N 271570a_100011290941_100000162227 [1,1,0,0,0,0|1,0,0]=3 1687 B11R1.53 C=Cc1ccccc1C(=O)[13CH3] 1458a_100011830265_200025704644 [1,1,0,0,0,0|2,0,0]=4 1688 B11R1.53 C=Cc1cccnc1C(=O)N 271570a_100011290941_200012359670 [1,1,0,0,0,0|2,0,0]=4 1689 B11R1.53 C=Cc1ccncc1C(=O)N 271570a_100011290941_100000697804 [1,1,0,0,0,0|2,0,0]=4 1690 B11R1.53 C=Cc1cnccc1C(=O)N 271570a_100011290941_100010205435 [1,1,0,0,0,0|2,0,0]=4 1691 B11R1.53 C=Cc1ncccc1C(=O)N 271570a_100011290941_100000162199 [1,1,0,0,0,0|2,0,0]=4 1692 B11R1.53 CC(=O)c1ccccc1C#N 1458a_100000742908_200000210301 [1,1,0,0,0,0|2,0,0]=4 1693 B11R1.53 CC(=O)c1ccccc1CO 1458a_100011301526_200000210301 [1,1,0,0,0,0|1,0,0]=3 1694 B11R1.53 CC(=O)c1ccccc1I=O 1458a_100000032414_200000210301 [1,1,0,0,0,0|1,0,1]=4 1695 B11R1.53 CC(=O)c1ccccc1S[13CH3] 62a_100000751169_200025704644 [1,1,0,0,0,0|1,1,0]=4 1696 B11R1.53 CC(=O)c1ccncc1O[13CH3] 7a_100009872882_200025704644 [1,1,0,0,0,0|2,0,0]=4 1697 B11R1.53 CC(=O)c1ncccc1O[13CH3] 34a_100000087166_200025704644 [1,1,0,0,0,0|2,0,0]=4 1698 B11R1.53 CC(=O)c1ncccc1O[13CH3] 7a_100000087166_200025704644 [1,1,0,0,0,0|2,0,0]=4 1699 B11R1.53 CC(O)c1ccccc1O[13CH3] 34a_200011232679_200025704644 [1,1,0,0,0,0|1,0,1]=4 1700 B11R1.53 CC(O)c1ccccc1O[13CH3] 7a_200011232679_200025704644 [1,1,0,0,0,0|1,0,1]=4 1701 B11R1.53 CCc1ccccc1C(=O)C 1458a_100000689120_200000210301 [1,1,0,0,0,0|2,0,0]=4 1702 B11R1.53 CCc1ccccc1C(=O)[13CH3] 1458a_100000689120_200025704644 [1,1,0,0,0,0|2,0,0]=4 1703 B11R1.53 CNc1ccccc1C(=O)N 34a_100000185089_200000210301 [1,1,0,0,0,0|1,0,0]=3 1704 B11R1.53 CNc1cccnc1C(=O)N 27a_100102657272_200012359670 [1,1,0,0,0,0|2,0,0]=4 1705 B11R1.53 CNc1ccncc1C(=O)N 27a_100102657272_100000697804 [1,1,0,0,0,0|2,0,0]=4 1706 B11R1.53 CNc1ncccc1C(=O)N 27a_100102657272_100000162199 [1,1,0,0,0,0|2,0,0]=4 1707 B11R1.53 COc1ccccc1C(=O)C 1458a_100000185835_200000210301 [1,1,0,0,0,0|1,0,0]=3 1708 B11R1.53 COc1ccccc1C(=O)N 34a_100000192804_200000210301 [1,1,0,0,0,0|0,0,0]=2 1709 B11R1.53 COc1ccccc1C(=O)N 7a_100000192804_200000210301 [1,1,0,0,0,0|0,0,0]=2 1710 B11R1.53 COc1ccccc1C(=O)[13CH3] 1458a_100000185835_200025704644 [1,1,0,0,0,0|1,0,0]=3 1711 B11R1.53 COc1ccccc1C(=O)[O-] 7a_100015234032_200000210301 [1,1,0,0,0,0|0,0,1]=3 1712 B11R1.53 COc1ccccc1C(=S)N 7a_100000745089_200000210301 [1,1,0,0,0,0|0,1,0]=3 1713 B11R1.53 COc1ccccc1C(C)O 34a_200011232679_200000210301 [1,1,0,0,0,0|1,0,1]=4 1714 B11R1.53 COc1ccccc1C(C)O 7a_200011232679_200000210301 [1,1,0,0,0,0|1,0,1]=4 1715 B11R1.53 COc1ccccc1[C@@H](C)N 34a_100025703389_200000210301 [1,1,0,0,0,0|1,0,1]=4 1716 B11R1.53 COc1ccccc1[N+](=O)[O-] 34a_100000186319_200000210301 [1,1,0,0,0,0|1,0,1]=4 1717 B11R1.53 COc1ccccc1[N+](=O)[O-] 7a_100000186319_200000210301 [1,1,0,0,0,0|1,0,1]=4 1718 B11R1.53 COc1cccnc1C(=O)C 34a_100000087166_200000210301 [1,1,0,0,0,0|2,0,0]=4 1719 B11R1.53 COc1cccnc1C(=O)C 7a_100000087166_200000210301 [1,1,0,0,0,0|2,0,0]=4 1720 B11R1.53 COc1cccnc1C(=O)N 34a_200011215183_200000210301 [1,1,0,0,0,0|1,0,0]=3 1721 B11R1.53 COc1cccnc1C(=O)N 7a_200011215183_200000210301 [1,1,0,0,0,0|1,0,0]=3 1722 B11R1.53 COc1ccncc1C(=O)N 34a_200011998761_200000210301 [1,1,0,0,0,0|1,0,0]=3 1723 B11R1.53 COc1cnccc1C(=O)C 7a_100009872882_200000210301 [1,1,0,0,0,0|2,0,0]=4 1724 B11R1.53 COc1cnccc1C(=O)N 7a_100012022987_200000210301 [1,1,0,0,0,0|1,0,0]=3 1725 B11R1.53 COc1nccnc1C(=O)N 34a_100011830332_200000210301 [1,1,0,0,0,0|2,0,0]=4 1726 B11R1.53 CSc1ccccc1C(=O)C 1458a_100000183967_200000210301 [1,1,0,0,0,0|1,1,0]=4 1727 B11R1.53 CSc1ccccc1C(=O)C 62a_100000751169_200000210301 [1,1,0,0,0,0|1,1,0]=4 1728 B11R1.53 CSc1ccccc1C(=O)N 62a_100000162227_200000210301 [1,1,0,0,0,0|0,1,0]=3 1729 B11R1.53 CSc1ccccc1C(=O)N 62a_200000210301_100000162227 [1,1,0,0,0,0|0,1,0]=3 1730 B11R1.53 CSc1ccccc1C(=O)O 62a_200000210301_100000734275 [1,1,0,0,0,0|0,1,0]=3 1731 B11R1.53 CSc1ccccc1C(=O)O 62a_202125556159_200000210301 [1,1,0,0,0,0|0,1,0]=3 1732 B11R1.53 CSc1ccccc1C(=O)[13CH3] 1458a_100000183967_200025704644 [1,1,0,0,0,0|1,1,0]=4 1733 B11R1.53 CSc1cccnc1C(=O)N 62a_200000210301_200012359670 [1,1,0,0,0,0|1,1,0]=4 1734 B11R1.53 CSc1cccnc1C(=O)N 62a_200012359670_200000210301 [1,1,0,0,0,0|1,1,0]=4 1735 B11R1.53 CSc1ccncc1C(=O)N 62a_100000697804_200000210301 [1,1,0,0,0,0|1,1,0]=4 1736 B11R1.53 CSc1ccncc1C(=O)N 62a_200000210301_100000697804 [1,1,0,0,0,0|1,1,0]=4 1737 B11R1.53 CSc1cnccc1C(=O)N 62a_100010205435_200000210301 [1,1,0,0,0,0|1,1,0]=4 1738 B11R1.53 CSc1cnccc1C(=O)N 62a_200000210301_100010205435 [1,1,0,0,0,0|1,1,0]=4 1739 B11R1.53 CSc1ncccc1C(=O)N 62a_100000162199_200000210301 [1,1,0,0,0,0|1,1,0]=4 1740 B11R1.53 CSc1ncccc1C(=O)N 62a_200000210301_100000162199 [1,1,0,0,0,0|1,1,0]=4 1741 B11R1.53 C[C@@H](N)c1ccccc1O[13CH3] 34a_100025703389_200025704644 [1,1,0,0,0,0|1,0,1]=4 1742 B11R1.53 [13CH3]C(=O)c1ccccc1C#N 1458a_100000742908_200025704644 [1,1,0,0,0,0|2,0,0]=4 1743 B11R1.53 [13CH3]C(=O)c1ccccc1CO 1458a_100011301526_200025704644 [1,1,0,0,0,0|1,0,0]=3 1744 B11R1.53 [13CH3]C(=O)c1ccccc1I=O 1458a_100000032414_200025704644 [1,1,0,0,0,0|1,0,1]=4 1745 B11R1.53 [13CH3]Nc1ccccc1C(=O)N 34a_100000185089_200025704644 [1,1,0,0,0,0|1,0,0]=3 1746 B11R1.53 [13CH3]Oc1ccccc1C(=O)N 34a_100000192804_200025704644 [1,1,0,0,0,0|0,0,0]=2 1747 B11R1.53 [13CH3]Oc1ccccc1C(=O)N 7a_100000192804_200025704644 [1,1,0,0,0,0|0,0,0]=2 1748 B11R1.53 [13CH3]Oc1ccccc1C(=O)[O-] 7a_100015234032_200025704644 [1,1,0,0,0,0|0,0,1]=3 1749 B11R1.53 [13CH3]Oc1ccccc1C(=S)N 7a_100000745089_200025704644 [1,1,0,0,0,0|0,1,0]=3 1750 B11R1.53 [13CH3]Oc1ccccc1[N+](=O)[O-] 34a_100000186319_200025704644 [1,1,0,0,0,0|1,0,1]=4 1751 B11R1.53 [13CH3]Oc1ccccc1[N+](=O)[O-] 7a_100000186319_200025704644 [1,1,0,0,0,0|1,0,1]=4 1752 B11R1.53 [13CH3]Oc1cccnc1C(=O)N 34a_200011215183_200025704644 [1,1,0,0,0,0|1,0,0]=3 1753 B11R1.53 [13CH3]Oc1cccnc1C(=O)N 7a_200011215183_200025704644 [1,1,0,0,0,0|1,0,0]=3 1754 B11R1.53 [13CH3]Oc1ccncc1C(=O)N 34a_200011998761_200025704644 [1,1,0,0,0,0|1,0,0]=3 1755 B11R1.53 [13CH3]Oc1cnccc1C(=O)N 7a_100012022987_200025704644 [1,1,0,0,0,0|1,0,0]=3 1756 B11R1.53 [13CH3]Oc1nccnc1C(=O)N 34a_100011830332_200025704644 [1,1,0,0,0,0|2,0,0]=4 1757 B11R1.53 [13CH3]Sc1ccccc1C(=O)N 62a_100000162227_200025704644 [1,1,0,0,0,0|0,1,0]=3 1758 B11R1.53 [13CH3]Sc1ccccc1C(=O)N 62a_200025704644_100000162227 [1,1,0,0,0,0|0,1,0]=3 1759 B11R1.53 [13CH3]Sc1ccccc1C(=O)O 62a_200025704644_100000734275 [1,1,0,0,0,0|0,1,0]=3 1760 B11R1.53 [13CH3]Sc1ccccc1C(=O)O 62a_202125556159_200025704644 [1,1,0,0,0,0|0,1,0]=3 1761 B11R1.53 [13CH3]Sc1cccnc1C(=O)N 62a_200012359670_200025704644 [1,1,0,0,0,0|1,1,0]=4 1762 B11R1.53 [13CH3]Sc1cccnc1C(=O)N 62a_200025704644_200012359670 [1,1,0,0,0,0|1,1,0]=4 1763 B11R1.53 [13CH3]Sc1ccncc1C(=O)N 62a_100000697804_200025704644 [1,1,0,0,0,0|1,1,0]=4 1764 B11R1.53 [13CH3]Sc1ccncc1C(=O)N 62a_200025704644_100000697804 [1,1,0,0,0,0|1,1,0]=4 1765 B11R1.53 [13CH3]Sc1cnccc1C(=O)N 62a_100010205435_200025704644 [1,1,0,0,0,0|1,1,0]=4 1766 B11R1.53 [13CH3]Sc1cnccc1C(=O)N 62a_200025704644_100010205435 [1,1,0,0,0,0|1,1,0]=4 1767 B11R1.53 [13CH3]Sc1ncccc1C(=O)N 62a_100000162199_200025704644 [1,1,0,0,0,0|1,1,0]=4 1768 B11R1.53 [13CH3]Sc1ncccc1C(=O)N 62a_200025704644_100000162199 [1,1,0,0,0,0|1,1,0]=4 1769 B11R1.87 CC(C)(N)c1ccccc1O 271570a_203496583355_100020606264 [1,1,0,0,0,0|1,0,1]=4 1770 B11R1.87 CC(C)(O)c1ccccc1O 271570a_203496583355_100011346021 [1,1,0,0,0,0|1,0,1]=4 1771 B11R1.87 CS(=O)(=O)c1ccccc1O 271570a_203496583355_100000751929 [1,1,0,0,0,0|1,0,1]=4 1772 B11R1.87 NS(=O)(=O)c1ccccc1O 271570a_203496583355_100000735520 [1,1,0,0,0,0|1,0,0]=3 1773 B11R1.87 NS(=O)(=O)c1cccnc1O 271570a_203496583355_100000740416 [1,1,0,0,0,0|2,0,0]=4 1774 B11R1.87 NS(=O)(=O)c1cnccc1O 271570a_203496583355_100011216116 [1,1,0,0,0,0|2,0,0]=4 1775 B11R1.156 C=C(C)c1c(cccc1Br)O 271570a_100000694244_100010187912 [1,1,0,0,0,0|2,0,0]=4 1776 B11R1.156 C=C(C)c1c(cccc1Cl)O 271570a_100000694244_100000050174 [1,1,0,0,0,0|2,0,0]=4 1777 B11R1.156 C=C(C)c1c(cccc1F)O 271570a_100000694244_100009820682 [1,1,0,0,0,0|2,0,0]=4 1778 B11R1.156 C=C(C)c1c(cccc1O)C 271570a_100000694244_100000686692 [1,1,0,0,0,0|2,0,0]=4 1779 B11R1.156 C=C(C)c1c(cccc1O)N 271570a_100000694244_100012183704 [1,1,0,0,0,0|2,0,0]=4 1780 B11R1.156 C=C(C)c1c(cccc1O)O 271570a_100000694244_100010205330 [1,1,0,0,0,0|2,0,0]=4 1781 B11R1.156 CC(=O)c1c(cccc1Br)Br 1458a_100000690891_200000210301 [1,1,0,0,0,0|2,0,0]=4 1782 B11R1.156 CC(=O)c1c(cccc1Br)C 1458a_100000701904_200000210301 [1,1,0,0,0,0|2,0,0]=4 1783 B11R1.156 CC(=O)c1c(cccc1Br)Cl 1458a_100011253703_200000210301 [1,1,0,0,0,0|2,0,0]=4 1784 B11R1.156 CC(=O)c1c(cccc1Br)F 1458a_100000752694_200000210301 [1,1,0,0,0,0|2,0,0]=4 1785 B11R1.156 CC(=O)c1c(cccc1Br)O 1458a_100011935254_200000210301 [1,1,0,0,0,0|1,0,0]=3 1786 B11R1.156 CC(=O)c1c(cccc1C)C 1458a_100000758298_200000210301 [1,1,0,0,0,0|2,0,0]=4 1787 B11R1.156 CC(=O)c1c(cccc1Cl)C 1458a_100000692601_200000210301 [1,1,0,0,0,0|2,0,0]=4 1788 B11R1.156 CC(=O)c1c(cccc1Cl)Cl 1458a_100000210656_200000210301 [1,1,0,0,0,0|2,0,0]=4 1789 B11R1.156 CC(=O)c1c(cccc1Cl)F 1458a_100000210369_200000210301 [1,1,0,0,0,0|2,0,0]=4 1790 B11R1.156 CC(=O)c1c(cccc1Cl)O 1458a_100000745519_200000210301 [1,1,0,0,0,0|1,0,0]=3 1791 B11R1.156 CC(=O)c1c(cccc1F)C 1458a_100000762013_200000210301 [1,1,0,0,0,0|2,0,0]=4 1792 B11R1.156 CC(=O)c1c(cccc1F)F 1458a_100000210804_200000210301 [1,1,0,0,0,0|2,0,0]=4 1793 B11R1.156 CC(=O)c1c(cccc1F)O 1458a_100000763259_200000210301 [1,1,0,0,0,0|1,0,0]=3 1794 B11R1.156 CC(=O)c1c(cccc1F)O 271570a_203496583355_100012351873 [1,1,0,0,0,0|1,0,0]=3 1795 B11R1.156 CC(=O)c1c(cccc1I)Br 1458a_100010232521_200000210301 [1,1,0,0,0,0|2,0,0]=4 1796 B11R1.156 CC(=O)c1c(cccc1I)C 1458a_100000688020_200000210301 [1,1,0,0,0,0|2,0,0]=4 1797 B11R1.156 CC(=O)c1c(cccc1I)Cl 1458a_100000702859_200000210301 [1,1,0,0,0,0|2,0,0]=4 1798 B11R1.156 CC(=O)c1c(cccc1I)F 1458a_100000023732_200000210301 [1,1,0,0,0,0|2,0,0]=4 1799 B11R1.156 CC(=O)c1c(cccc1O)C 1458a_100011934116_200000210301 [1,1,0,0,0,0|1,0,0]=3 1800 B11R1.156 CC(=O)c1c(cccc1O)O 1458a_100000755285_200000210301 [1,1,0,0,0,0|1,0,0]=3 1801 B11R1.156 CC(=O)c1c(cccc1O)O 271570a_203496583355_100010174959 [1,1,0,0,0,0|1,0,0]=3 1802 B11R1.156 CC(=O)c1c(ccnc1O)N 271570a_203496583355_200010729368 [1,1,0,0,0,0|2,0,0]=4 1803 B11R1.156 CC(O)c1c(cccc1F)O 271570a_203496583355_100013085324 [1,1,0,0,0,0|1,0,1]=4 1804 B11R1.156 Cc1cccc(c1C(=O)[13CH3])Br 1458a_100000701904_200025704644 [1,1,0,0,0,0|2,0,0]=4 1805 B11R1.156 Cc1cccc(c1C(=O)[13CH3])C 1458a_100000758298_200025704644 [1,1,0,0,0,0|2,0,0]=4 1806 B11R1.156 Cc1cccc(c1C(=O)[13CH3])Cl 1458a_100000692601_200025704644 [1,1,0,0,0,0|2,0,0]=4 1807 B11R1.156 Cc1cccc(c1C(=O)[13CH3])F 1458a_100000762013_200025704644 [1,1,0,0,0,0|2,0,0]=4 1808 B11R1.156 Cc1cccc(c1C(=O)[13CH3])I 1458a_100000688020_200025704644 [1,1,0,0,0,0|2,0,0]=4 1809 B11R1.156 Cc1cccc(c1C(=O)[13CH3])O 1458a_100011934116_200025704644 [1,1,0,0,0,0|1,0,0]=3 1810 B11R1.156 NC(=O)c1c(cccc1Cl)O 271570a_203496583355_100010147686 [1,1,0,0,0,0|0,0,0]=2 1811 B11R1.156 NC(=O)c1c(cccc1F)O 271570a_203496583355_100011219063 [1,1,0,0,0,0|0,0,0]=2 1812 B11R1.156 NC(=O)c1c(cncc1F)O 271570a_203496583355_100010271514 [1,1,0,0,0,0|1,0,0]=3 1813 B11R1.156 [13CH3]C(=O)c1c(cccc1Br)Br 1458a_100000690891_200025704644 [1,1,0,0,0,0|2,0,0]=4 1814 B11R1.156 [13CH3]C(=O)c1c(cccc1Br)Cl 1458a_100011253703_200025704644 [1,1,0,0,0,0|2,0,0]=4 1815 B11R1.156 [13CH3]C(=O)c1c(cccc1Br)F 1458a_100000752694_200025704644 [1,1,0,0,0,0|2,0,0]=4 1816 B11R1.156 [13CH3]C(=O)c1c(cccc1Br)O 1458a_100011935254_200025704644 [1,1,0,0,0,0|1,0,0]=3 1817 B11R1.156 [13CH3]C(=O)c1c(cccc1Cl)Cl 1458a_100000210656_200025704644 [1,1,0,0,0,0|2,0,0]=4 1818 B11R1.156 [13CH3]C(=O)c1c(cccc1Cl)F 1458a_100000210369_200025704644 [1,1,0,0,0,0|2,0,0]=4 1819 B11R1.156 [13CH3]C(=O)c1c(cccc1Cl)O 1458a_100000745519_200025704644 [1,1,0,0,0,0|1,0,0]=3 1820 B11R1.156 [13CH3]C(=O)c1c(cccc1F)F 1458a_100000210804_200025704644 [1,1,0,0,0,0|2,0,0]=4 1821 B11R1.156 [13CH3]C(=O)c1c(cccc1F)O 1458a_100000763259_200025704644 [1,1,0,0,0,0|1,0,0]=3 1822 B11R1.156 [13CH3]C(=O)c1c(cccc1I)Br 1458a_100010232521_200025704644 [1,1,0,0,0,0|2,0,0]=4 1823 B11R1.156 [13CH3]C(=O)c1c(cccc1I)Cl 1458a_100000702859_200025704644 [1,1,0,0,0,0|2,0,0]=4 1824 B11R1.156 [13CH3]C(=O)c1c(cccc1I)F 1458a_100000023732_200025704644 [1,1,0,0,0,0|2,0,0]=4 1825 B11R1.156 [13CH3]C(=O)c1c(cccc1O)O 1458a_100000755285_200025704644 [1,1,0,0,0,0|1,0,0]=3 1826 B11R1.159 C=C(C)c1cccc(c1O)Br 271570a_100000694244_100010084509 [1,1,0,0,0,0|2,0,0]=4 1827 B11R1.159 C=C(C)c1cccc(c1O)C 271570a_100000694244_100009817157 [1,1,0,0,0,0|2,0,0]=4 1828 B11R1.159 C=C(C)c1cccc(c1O)Cl 271570a_100000694244_100010202889 [1,1,0,0,0,0|2,0,0]=4 1829 B11R1.159 C=C(C)c1cccc(c1O)F 271570a_100000694244_100009813666 [1,1,0,0,0,0|2,0,0]=4 1830 B11R1.159 C=C(C)c1cccc(c1O)N 271570a_100000694244_100011934915 [1,1,0,0,0,0|2,0,0]=4 1831 B11R1.159 C=C(C)c1cccc(c1O)O 271570a_100000694244_100009815950 [1,1,0,0,0,0|2,0,0]=4 1832 B11R1.159 CC(=O)c1cccc(c1Br)Br 1458a_100012360534_200000210301 [1,1,0,0,0,0|2,0,0]=4 1833 B11R1.159 CC(=O)c1cccc(c1Br)C 1458a_100000692419_200000210301 [1,1,0,0,0,0|2,0,0]=4 1834 B11R1.159 CC(=O)c1cccc(c1Br)Cl 1458a_100012339722_200000210301 [1,1,0,0,0,0|2,0,0]=4 1835 B11R1.159 CC(=O)c1cccc(c1Br)F 1458a_100011217547_200000210301 [1,1,0,0,0,0|2,0,0]=4 1836 B11R1.159 CC(=O)c1cccc(c1Br)I 1458a_100010232522_200000210301 [1,1,0,0,0,0|2,0,0]=4 1837 B11R1.159 CC(=O)c1cccc(c1Br)O 1458a_100010230362_200000210301 [1,1,0,0,0,0|2,0,0]=4 1838 B11R1.159 CC(=O)c1cccc(c1C)Br 1458a_100000760464_200000210301 [1,1,0,0,0,0|2,0,0]=4 1839 B11R1.159 CC(=O)c1cccc(c1C)C 1458a_100000183679_200000210301 [1,1,0,0,0,0|2,0,0]=4 1840 B11R1.159 CC(=O)c1cccc(c1C)Cl 1458a_100000690184_200000210301 [1,1,0,0,0,0|2,0,0]=4 1841 B11R1.159 CC(=O)c1cccc(c1C)F 1458a_100011218272_200000210301 [1,1,0,0,0,0|2,0,0]=4 1842 B11R1.159 CC(=O)c1cccc(c1C)I 1458a_100000751865_200000210301 [1,1,0,0,0,0|2,0,0]=4 1843 B11R1.159 CC(=O)c1cccc(c1C)O 1458a_100000766327_200000210301 [1,1,0,0,0,0|2,0,0]=4 1844 B11R1.159 CC(=O)c1cccc(c1C)O 271570a_203496583355_100012706834 [1,1,0,0,0,0|2,0,0]=4 1845 B11R1.159 CC(=O)c1cccc(c1Cl)Br 1458a_100000760540_200000210301 [1,1,0,0,0,0|2,0,0]=4 1846 B11R1.159 CC(=O)c1cccc(c1Cl)C 1458a_100000693142_200000210301 [1,1,0,0,0,0|2,0,0]=4 1847 B11R1.159 CC(=O)c1cccc(c1Cl)Cl 1458a_100000183631_200000210301 [1,1,0,0,0,0|2,0,0]=4 1848 B11R1.159 CC(=O)c1cccc(c1Cl)F 1458a_100000759904_200000210301 [1,1,0,0,0,0|2,0,0]=4 1849 B11R1.159 CC(=O)c1cccc(c1Cl)I 1458a_100010176783_200000210301 [1,1,0,0,0,0|2,0,0]=4 1850 B11R1.159 CC(=O)c1cccc(c1Cl)O 1458a_100000092362_200000210301 [1,1,0,0,0,0|2,0,0]=4 1851 B11R1.159 CC(=O)c1cccc(c1F)Br 1458a_100000756403_200000210301 [1,1,0,0,0,0|2,0,0]=4 1852 B11R1.159 CC(=O)c1cccc(c1F)C 1458a_100000766181_200000210301 [1,1,0,0,0,0|2,0,0]=4 1853 B11R1.159 CC(=O)c1cccc(c1F)Cl 1458a_100000688816_200000210301 [1,1,0,0,0,0|2,0,0]=4 1854 B11R1.159 CC(=O)c1cccc(c1F)F 1458a_100000748134_200000210301 [1,1,0,0,0,0|2,0,0]=4 1855 B11R1.159 CC(=O)c1cccc(c1F)I 1458a_100010185205_200000210301 [1,1,0,0,0,0|2,0,0]=4 1856 B11R1.159 CC(=O)c1cccc(c1F)O 1458a_100000037433_200000210301 [1,1,0,0,0,0|2,0,0]=4 1857 B11R1.159 CC(=O)c1cccc(c1F)O 271570a_203496583355_100012355707 [1,1,0,0,0,0|2,0,0]=4 1858 B11R1.159 CC(=O)c1cccc(c1I)Br 1458a_100000688019_200000210301 [1,1,0,0,0,0|2,0,0]=4 1859 B11R1.159 CC(=O)c1cccc(c1I)C 1458a_100000739377_200000210301 [1,1,0,0,0,0|2,0,0]=4 1860 B11R1.159 CC(=O)c1cccc(c1I)Cl 1458a_100010176784_200000210301 [1,1,0,0,0,0|2,0,0]=4 1861 B11R1.159 CC(=O)c1cccc(c1I)F 1458a_100000690930_200000210301 [1,1,0,0,0,0|2,0,0]=4 1862 B11R1.159 CC(=O)c1cccc(c1I)O 1458a_100010084636_200000210301 [1,1,0,0,0,0|2,0,0]=4 1863 B11R1.159 CC(=O)c1cccc(c1O)Br 1458a_100000752940_200000210301 [1,1,0,0,0,0|1,0,0]=3 1864 B11R1.159 CC(=O)c1cccc(c1O)C 1458a_100000183896_200000210301 [1,1,0,0,0,0|1,0,0]=3 1865 B11R1.159 CC(=O)c1cccc(c1O)Cl 1458a_100000742801_200000210301 [1,1,0,0,0,0|1,0,0]=3 1866 B11R1.159 CC(=O)c1cccc(c1O)F 1458a_100011217230_200000210301 [1,1,0,0,0,0|1,0,0]=3 1867 B11R1.159 CC(=O)c1cccc(c1O)F 271570a_203496583355_100012362612 [1,1,0,0,0,0|1,0,0]=3 1868 B11R1.159 CC(=O)c1cccc(c1O)O 1458a_100000690420_200000210301 [1,1,0,0,0,0|1,0,0]=3 1869 B11R1.159 CC(=O)c1cccc(c1O)O 271570a_203496583355_100009815558 [1,1,0,0,0,0|1,0,0]=3 1870 B11R1.159 Cc1c(cccc1C(=O)N)O 271570a_203496583355_200012298201 [1,1,0,0,0,0|1,0,0]=3 1871 B11R1.159 Cc1c(cccc1C(=O)[13CH3])Br 1458a_100000760464_200025704644 [1,1,0,0,0,0|2,0,0]=4 1872 B11R1.159 Cc1c(cccc1C(=O)[13CH3])Cl 1458a_100000690184_200025704644 [1,1,0,0,0,0|2,0,0]=4 1873 B11R1.159 Cc1c(cccc1C(=O)[13CH3])F 1458a_100011218272_200025704644 [1,1,0,0,0,0|2,0,0]=4 1874 B11R1.159 Cc1c(cccc1C(=O)[13CH3])I 1458a_100000751865_200025704644 [1,1,0,0,0,0|2,0,0]=4 1875 B11R1.159 Cc1c(cccc1C(=O)[13CH3])O 1458a_100000766327_200025704644 [1,1,0,0,0,0|2,0,0]=4 1876 B11R1.159 Cc1cccc(c1Br)C(=O)[13CH3] 1458a_100000692419_200025704644 [1,1,0,0,0,0|2,0,0]=4 1877 B11R1.159 Cc1cccc(c1C)C(=O)[13CH3] 1458a_100000183679_200025704644 [1,1,0,0,0,0|2,0,0]=4 1878 B11R1.159 Cc1cccc(c1Cl)C(=O)[13CH3] 1458a_100000693142_200025704644 [1,1,0,0,0,0|2,0,0]=4 1879 B11R1.159 Cc1cccc(c1F)C(=O)[13CH3] 1458a_100000766181_200025704644 [1,1,0,0,0,0|2,0,0]=4 1880 B11R1.159 Cc1cccc(c1I)C(=O)[13CH3] 1458a_100000739377_200025704644 [1,1,0,0,0,0|2,0,0]=4 1881 B11R1.159 Cc1cccc(c1O)C(=O)N 271570a_203496583355_200011409216 [1,1,0,0,0,0|0,0,0]=2 1882 B11R1.159 Cc1cccc(c1O)C(=O)[13CH3] 1458a_100000183896_200025704644 [1,1,0,0,0,0|1,0,0]=3 1883 B11R1.159 NC(=O)c1cccc(c1F)O 271570a_203496583355_100012351131 [1,1,0,0,0,0|1,0,0]=3 1884 B11R1.159 NC(=O)c1cccc(c1N)O 271570a_203496583355_100010144993 [1,1,0,0,0,0|1,0,0]=3 1885 B11R1.159 NC(=O)c1cccc(c1O)F 271570a_203496583355_200012351544 [1,1,0,0,0,0|0,0,0]=2 1886 B11R1.159 NC(=O)c1ccnc(c1N)O 271570a_203496583355_100000080204 [1,1,0,0,0,0|2,0,0]=4 1887 B11R1.159 [13CH3]C(=O)c1cccc(c1Br)Br 1458a_100012360534_200025704644 [1,1,0,0,0,0|2,0,0]=4 1888 B11R1.159 [13CH3]C(=O)c1cccc(c1Br)Cl 1458a_100012339722_200025704644 [1,1,0,0,0,0|2,0,0]=4 1889 B11R1.159 [13CH3]C(=O)c1cccc(c1Br)F 1458a_100011217547_200025704644 [1,1,0,0,0,0|2,0,0]=4 1890 B11R1.159 [13CH3]C(=O)c1cccc(c1Br)I 1458a_100010232522_200025704644 [1,1,0,0,0,0|2,0,0]=4 1891 B11R1.159 [13CH3]C(=O)c1cccc(c1Br)O 1458a_100010230362_200025704644 [1,1,0,0,0,0|2,0,0]=4 1892 B11R1.159 [13CH3]C(=O)c1cccc(c1Cl)Br 1458a_100000760540_200025704644 [1,1,0,0,0,0|2,0,0]=4 1893 B11R1.159 [13CH3]C(=O)c1cccc(c1Cl)Cl 1458a_100000183631_200025704644 [1,1,0,0,0,0|2,0,0]=4 1894 B11R1.159 [13CH3]C(=O)c1cccc(c1Cl)F 1458a_100000759904_200025704644 [1,1,0,0,0,0|2,0,0]=4 1895 B11R1.159 [13CH3]C(=O)c1cccc(c1Cl)I 1458a_100010176783_200025704644 [1,1,0,0,0,0|2,0,0]=4 1896 B11R1.159 [13CH3]C(=O)c1cccc(c1Cl)O 1458a_100000092362_200025704644 [1,1,0,0,0,0|2,0,0]=4 1897 B11R1.159 [13CH3]C(=O)c1cccc(c1F)Br 1458a_100000756403_200025704644 [1,1,0,0,0,0|2,0,0]=4 1898 B11R1.159 [13CH3]C(=O)c1cccc(c1F)Cl 1458a_100000688816_200025704644 [1,1,0,0,0,0|2,0,0]=4 1899 B11R1.159 [13CH3]C(=O)c1cccc(c1F)F 1458a_100000748134_200025704644 [1,1,0,0,0,0|2,0,0]=4 1900 B11R1.159 [13CH3]C(=O)c1cccc(c1F)I 1458a_100010185205_200025704644 [1,1,0,0,0,0|2,0,0]=4 1901 B11R1.159 [13CH3]C(=O)c1cccc(c1F)O 1458a_100000037433_200025704644 [1,1,0,0,0,0|2,0,0]=4 1902 B11R1.159 [13CH3]C(=O)c1cccc(c1I)Br 1458a_100000688019_200025704644 [1,1,0,0,0,0|2,0,0]=4 1903 B11R1.159 [13CH3]C(=O)c1cccc(c1I)Cl 1458a_100010176784_200025704644 [1,1,0,0,0,0|2,0,0]=4 1904 B11R1.159 [13CH3]C(=O)c1cccc(c1I)F 1458a_100000690930_200025704644 [1,1,0,0,0,0|2,0,0]=4 1905 B11R1.159 [13CH3]C(=O)c1cccc(c1I)O 1458a_100010084636_200025704644 [1,1,0,0,0,0|2,0,0]=4 1906 B11R1.159 [13CH3]C(=O)c1cccc(c1O)Br 1458a_100000752940_200025704644 [1,1,0,0,0,0|1,0,0]=3 1907 B11R1.159 [13CH3]C(=O)c1cccc(c1O)Cl 1458a_100000742801_200025704644 [1,1,0,0,0,0|1,0,0]=3 1908 B11R1.159 [13CH3]C(=O)c1cccc(c1O)F 1458a_100011217230_200025704644 [1,1,0,0,0,0|1,0,0]=3 1909 B11R1.159 [13CH3]C(=O)c1cccc(c1O)O 1458a_100000690420_200025704644 [1,1,0,0,0,0|1,0,0]=3 1910 B11R1.166 C=C(C)c1ccc(cc1O)Br 271570a_100000694244_100012344904 [1,1,0,0,0,0|2,0,0]=4 1911 B11R1.166 C=C(C)c1ccc(cc1O)C 271570a_100000694244_100012002257 [1,1,0,0,0,0|2,0,0]=4 1912 B11R1.166 C=C(C)c1ccc(cc1O)Cl 271570a_100000694244_100000050036 [1,1,0,0,0,0|2,0,0]=4 1913 B11R1.166 C=C(C)c1ccc(cc1O)F 271570a_100000694244_100000690578 [1,1,0,0,0,0|2,0,0]=4 1914 B11R1.166 C=C(C)c1ccc(cc1O)O 271570a_100000694244_100009813921 [1,1,0,0,0,0|2,0,0]=4 1915 B11R1.166 CC(=O)c1ccc(cc1Br)Br 1458a_100000762965_200000210301 [1,1,0,0,0,0|2,0,0]=4 1916 B11R1.166 CC(=O)c1ccc(cc1Br)C 1458a_100000685072_200000210301 [1,1,0,0,0,0|2,0,0]=4 1917 B11R1.166 CC(=O)c1ccc(cc1Br)Cl 1458a_100000766353_200000210301 [1,1,0,0,0,0|2,0,0]=4 1918 B11R1.166 CC(=O)c1ccc(cc1Br)F 1458a_100000212304_200000210301 [1,1,0,0,0,0|2,0,0]=4 1919 B11R1.166 CC(=O)c1ccc(cc1Br)I 1458a_100012360512_200000210301 [1,1,0,0,0,0|2,0,0]=4 1920 B11R1.166 CC(=O)c1ccc(cc1Br)O 1458a_100012344906_200000210301 [1,1,0,0,0,0|2,0,0]=4 1921 B11R1.166 CC(=O)c1ccc(cc1C)Br 1458a_100000741311_200000210301 [1,1,0,0,0,0|2,0,0]=4 1922 B11R1.166 CC(=O)c1ccc(cc1C)C 1458a_100000211164_200000210301 [1,1,0,0,0,0|2,0,0]=4 1923 B11R1.166 CC(=O)c1ccc(cc1C)Cl 1458a_100000688705_200000210301 [1,1,0,0,0,0|2,0,0]=4 1924 B11R1.166 CC(=O)c1ccc(cc1C)F 1458a_100000686989_200000210301 [1,1,0,0,0,0|2,0,0]=4 1925 B11R1.166 CC(=O)c1ccc(cc1C)I 1458a_100010189873_200000210301 [1,1,0,0,0,0|2,0,0]=4 1926 B11R1.166 CC(=O)c1ccc(cc1C)O 1458a_100000692822_200000210301 [1,1,0,0,0,0|2,0,0]=4 1927 B11R1.166 CC(=O)c1ccc(cc1C)O 271570a_203496583355_100012360112 [1,1,0,0,0,0|2,0,0]=4 1928 B11R1.166 CC(=O)c1ccc(cc1Cl)Br 1458a_100000741628_200000210301 [1,1,0,0,0,0|2,0,0]=4 1929 B11R1.166 CC(=O)c1ccc(cc1Cl)C 1458a_100000766932_200000210301 [1,1,0,0,0,0|2,0,0]=4 1930 B11R1.166 CC(=O)c1ccc(cc1Cl)Cl 1458a_100000185840_200000210301 [1,1,0,0,0,0|2,0,0]=4 1931 B11R1.166 CC(=O)c1ccc(cc1Cl)F 1458a_100000211397_200000210301 [1,1,0,0,0,0|2,0,0]=4 1932 B11R1.166 CC(=O)c1ccc(cc1Cl)I 1458a_100000751301_200000210301 [1,1,0,0,0,0|2,0,0]=4 1933 B11R1.166 CC(=O)c1ccc(cc1Cl)O 1458a_100000702456_200000210301 [1,1,0,0,0,0|2,0,0]=4 1934 B11R1.166 CC(=O)c1ccc(cc1F)Br 1458a_100000214689_200000210301 [1,1,0,0,0,0|2,0,0]=4 1935 B11R1.166 CC(=O)c1ccc(cc1F)C 1458a_100000766033_200000210301 [1,1,0,0,0,0|2,0,0]=4 1936 B11R1.166 CC(=O)c1ccc(cc1F)Cl 1458a_100000212326_200000210301 [1,1,0,0,0,0|2,0,0]=4 1937 B11R1.166 CC(=O)c1ccc(cc1F)F 1458a_100000211022_200000210301 [1,1,0,0,0,0|2,0,0]=4 1938 B11R1.166 CC(=O)c1ccc(cc1F)I 1458a_100000037189_200000210301 [1,1,0,0,0,0|2,0,0]=4 1939 B11R1.166 CC(=O)c1ccc(cc1F)O 1458a_100000689029_200000210301 [1,1,0,0,0,0|2,0,0]=4 1940 B11R1.166 CC(=O)c1ccc(cc1F)O 271570a_203496583355_100000690205 [1,1,0,0,0,0|2,0,0]=4 1941 B11R1.166 CC(=O)c1ccc(cc1I)Br 1458a_100000751167_200000210301 [1,1,0,0,0,0|2,0,0]=4 1942 B11R1.166 CC(=O)c1ccc(cc1I)C 1458a_100009999607_200000210301 [1,1,0,0,0,0|2,0,0]=4 1943 B11R1.166 CC(=O)c1ccc(cc1I)Cl 1458a_100000739380_200000210301 [1,1,0,0,0,0|2,0,0]=4 1944 B11R1.166 CC(=O)c1ccc(cc1I)F 1458a_100000739341_200000210301 [1,1,0,0,0,0|2,0,0]=4 1945 B11R1.166 CC(=O)c1ccc(cc1N)O 271570a_203496583355_100011590516 [1,1,0,0,0,0|2,0,0]=4 1946 B11R1.166 CC(=O)c1ccc(cc1O)Br 1458a_100000744433_200000210301 [1,1,0,0,0,0|1,0,0]=3 1947 B11R1.166 CC(=O)c1ccc(cc1O)C 1458a_100000212137_200000210301 [1,1,0,0,0,0|1,0,0]=3 1948 B11R1.166 CC(=O)c1ccc(cc1O)C 271570a_203496583355_100012353930 [1,1,0,0,0,0|1,0,0]=3 1949 B11R1.166 CC(=O)c1ccc(cc1O)Cl 1458a_100000188622_200000210301 [1,1,0,0,0,0|1,0,0]=3 1950 B11R1.166 CC(=O)c1ccc(cc1O)F 1458a_100000746061_200000210301 [1,1,0,0,0,0|1,0,0]=3 1951 B11R1.166 CC(=O)c1ccc(cc1O)F 271570a_203496583355_100000686192 [1,1,0,0,0,0|1,0,0]=3 1952 B11R1.166 CC(=O)c1ccc(cc1O)I 1458a_100000091984_200000210301 [1,1,0,0,0,0|1,0,0]=3 1953 B11R1.166 CC(=O)c1ccc(cc1O)O 1458a_100000212172_200000210301 [1,1,0,0,0,0|1,0,0]=3 1954 B11R1.166 CC(=O)c1ccc(cc1O)O 271570a_203496583355_100000188348 [1,1,0,0,0,0|1,0,0]=3 1955 B11R1.166 CC(=O)c1ccc(cc1O)O 271570a_203496583355_100012340537 [1,1,0,0,0,0|1,0,0]=3 1956 B11R1.166 C[C@@H](N)c1ccc(cc1O)F 271570a_203496583355_100025704064 [1,1,0,0,0,0|1,0,1]=4 1957 B11R1.166 Cc1cc(ccc1C(=O)N)O 271570a_203496583355_100011327924 [1,1,0,0,0,0|1,0,0]=3 1958 B11R1.166 Cc1cc(ccc1C(=O)[13CH3])Br 1458a_100000741311_200025704644 [1,1,0,0,0,0|2,0,0]=4 1959 B11R1.166 Cc1cc(ccc1C(=O)[13CH3])Cl 1458a_100000688705_200025704644 [1,1,0,0,0,0|2,0,0]=4 1960 B11R1.166 Cc1cc(ccc1C(=O)[13CH3])F 1458a_100000686989_200025704644 [1,1,0,0,0,0|2,0,0]=4 1961 B11R1.166 Cc1cc(ccc1C(=O)[13CH3])I 1458a_100010189873_200025704644 [1,1,0,0,0,0|2,0,0]=4 1962 B11R1.166 Cc1cc(ccc1C(=O)[13CH3])O 1458a_100000692822_200025704644 [1,1,0,0,0,0|2,0,0]=4 1963 B11R1.166 Cc1cc(ncc1C(=O)N)O 271570a_203496583355_200134614278 [1,1,0,0,0,0|2,0,0]=4 1964 B11R1.166 Cc1ccc(c(c1)Br)C(=O)[13CH3] 1458a_100000685072_200025704644 [1,1,0,0,0,0|2,0,0]=4 1965 B11R1.166 Cc1ccc(c(c1)C)C(=O)[13CH3] 1458a_100000211164_200025704644 [1,1,0,0,0,0|2,0,0]=4 1966 B11R1.166 Cc1ccc(c(c1)Cl)C(=O)[13CH3] 1458a_100000766932_200025704644 [1,1,0,0,0,0|2,0,0]=4 1967 B11R1.166 Cc1ccc(c(c1)F)C(=O)[13CH3] 1458a_100000766033_200025704644 [1,1,0,0,0,0|2,0,0]=4 1968 B11R1.166 Cc1ccc(c(c1)I)C(=O)[13CH3] 1458a_100009999607_200025704644 [1,1,0,0,0,0|2,0,0]=4 1969 B11R1.166 Cc1ccc(c(c1)O)B(O)O 271570a_203496583355_200011068827 [1,1,0,0,0,0|1,0,1]=4 1970 B11R1.166 Cc1ccc(c(c1)O)C(=O)[13CH3] 1458a_100000212137_200025704644 [1,1,0,0,0,0|1,0,0]=3 1971 B11R1.166 Cc1ccc(c(n1)O)C(=O)N 271570a_203496583355_100000041523 [1,1,0,0,0,0|1,0,0]=3 1972 B11R1.166 NC(=O)c1ccc(cc1Br)O 271570a_203496583355_200010146565 [1,1,0,0,0,0|1,0,0]=3 1973 B11R1.166 NC(=O)c1ccc(cc1F)O 271570a_203496583355_100000216903 [1,1,0,0,0,0|1,0,0]=3 1974 B11R1.166 NC(=O)c1ccc(cc1N)O 271570a_203496583355_100012349972 [1,1,0,0,0,0|1,0,0]=3 1975 B11R1.166 NC(=O)c1ccc(cc1O)Br 271570a_203496583355_100009815748 [1,1,0,0,0,0|0,0,0]=2 1976 B11R1.166 NC(=O)c1ccc(cc1O)F 271570a_203496583355_100000206404 [1,1,0,0,0,0|0,0,0]=2 1977 B11R1.166 NC(=O)c1ccc(cc1O)O 271570a_203496583355_100011550861 [1,1,0,0,0,0|0,0,0]=2 1978 B11R1.166 NC(=O)c1ccc(nc1N)O 271570a_203496583355_100009875182 [1,1,0,0,0,0|2,0,0]=4 1979 B11R1.166 NC(=O)c1ncc(cc1F)O 271570a_203496583355_200010161073 [1,1,0,0,0,0|2,0,0]=4 1980 B11R1.166 NC(=O)c1ncc(cc1N)O 271570a_203496583355_100010235749 [1,1,0,0,0,0|2,0,0]=4 1981 B11R1.166 OB(O)c1ccc(cc1O)F 271570a_203496583355_100010175514 [1,1,0,0,0,0|1,0,1]=4 1982 B11R1.166 OB(O)c1ccc(cc1O)O 271570a_203496583355_100010158982 [1,1,0,0,0,0|1,0,1]=4 1983 B11R1.166 [13CH3]C(=O)c1ccc(cc1Br)Br 1458a_100000762965_200025704644 [1,1,0,0,0,0|2,0,0]=4 1984 B11R1.166 [13CH3]C(=O)c1ccc(cc1Br)Cl 1458a_100000766353_200025704644 [1,1,0,0,0,0|2,0,0]=4 1985 B11R1.166 [13CH3]C(=O)c1ccc(cc1Br)F 1458a_100000212304_200025704644 [1,1,0,0,0,0|2,0,0]=4 1986 B11R1.166 [13CH3]C(=O)c1ccc(cc1Br)I 1458a_100012360512_200025704644 [1,1,0,0,0,0|2,0,0]=4 1987 B11R1.166 [13CH3]C(=O)c1ccc(cc1Br)O 1458a_100012344906_200025704644 [1,1,0,0,0,0|2,0,0]=4 1988 B11R1.166 [13CH3]C(=O)c1ccc(cc1Cl)Br 1458a_100000741628_200025704644 [1,1,0,0,0,0|2,0,0]=4 1989 B11R1.166 [13CH3]C(=O)c1ccc(cc1Cl)Cl 1458a_100000185840_200025704644 [1,1,0,0,0,0|2,0,0]=4 1990 B11R1.166 [13CH3]C(=O)c1ccc(cc1Cl)F 1458a_100000211397_200025704644 [1,1,0,0,0,0|2,0,0]=4 1991 B11R1.166 [13CH3]C(=O)c1ccc(cc1Cl)I 1458a_100000751301_200025704644 [1,1,0,0,0,0|2,0,0]=4 1992 B11R1.166 [13CH3]C(=O)c1ccc(cc1Cl)O 1458a_100000702456_200025704644 [1,1,0,0,0,0|2,0,0]=4 1993 B11R1.166 [13CH3]C(=O)c1ccc(cc1F)Br 1458a_100000214689_200025704644 [1,1,0,0,0,0|2,0,0]=4 1994 B11R1.166 [13CH3]C(=O)c1ccc(cc1F)Cl 1458a_100000212326_200025704644 [1,1,0,0,0,0|2,0,0]=4 1995 B11R1.166 [13CH3]C(=O)c1ccc(cc1F)F 1458a_100000211022_200025704644 [1,1,0,0,0,0|2,0,0]=4 1996 B11R1.166 [13CH3]C(=O)c1ccc(cc1F)I 1458a_100000037189_200025704644 [1,1,0,0,0,0|2,0,0]=4 1997 B11R1.166 [13CH3]C(=O)c1ccc(cc1F)O 1458a_100000689029_200025704644 [1,1,0,0,0,0|2,0,0]=4 1998 B11R1.166 [13CH3]C(=O)c1ccc(cc1I)Br 1458a_100000751167_200025704644 [1,1,0,0,0,0|2,0,0]=4 1999 B11R1.166 [13CH3]C(=O)c1ccc(cc1I)Cl 1458a_100000739380_200025704644 [1,1,0,0,0,0|2,0,0]=4 2000 B11R1.166 [13CH3]C(=O)c1ccc(cc1I)F 1458a_100000739341_200025704644 [1,1,0,0,0,0|2,0,0]=4 2001 B11R1.166 [13CH3]C(=O)c1ccc(cc1O)Br 1458a_100000744433_200025704644 [1,1,0,0,0,0|1,0,0]=3 2002 B11R1.166 [13CH3]C(=O)c1ccc(cc1O)Cl 1458a_100000188622_200025704644 [1,1,0,0,0,0|1,0,0]=3 2003 B11R1.166 [13CH3]C(=O)c1ccc(cc1O)F 1458a_100000746061_200025704644 [1,1,0,0,0,0|1,0,0]=3 2004 B11R1.166 [13CH3]C(=O)c1ccc(cc1O)I 1458a_100000091984_200025704644 [1,1,0,0,0,0|1,0,0]=3 2005 B11R1.166 [13CH3]C(=O)c1ccc(cc1O)O 1458a_100000212172_200025704644 [1,1,0,0,0,0|1,0,0]=3 2006 B11R1.167 C=C(C)c1cc(ccc1O)Br 271570a_100000694244_100012355227 [1,1,0,0,0,0|2,0,0]=4 2007 B11R1.167 C=C(C)c1cc(ccc1O)C 271570a_100000694244_100000765521 [1,1,0,0,0,0|2,0,0]=4 2008 B11R1.167 C=C(C)c1cc(ccc1O)Cl 271570a_100000694244_100011356953 [1,1,0,0,0,0|2,0,0]=4 2009 B11R1.167 C=C(C)c1cc(ccc1O)F 271570a_100000694244_100000211999 [1,1,0,0,0,0|2,0,0]=4 2010 B11R1.167 C=C(C)c1cc(ccc1O)N 271570a_100000694244_100011534360 [1,1,0,0,0,0|2,0,0]=4 2011 B11R1.167 C=C(C)c1cc(ccc1O)O 271570a_100000694244_100009813629 [1,1,0,0,0,0|2,0,0]=4 2012 B11R1.167 CC(=O)c1cc(ccc1Br)Br 1458a_100000690610_200000210301 [1,1,0,0,0,0|2,0,0]=4 2013 B11R1.167 CC(=O)c1cc(ccc1Br)C 1458a_100000689033_200000210301 [1,1,0,0,0,0|2,0,0]=4 2014 B11R1.167 CC(=O)c1cc(ccc1Br)Cl 1458a_100000736951_200000210301 [1,1,0,0,0,0|2,0,0]=4 2015 B11R1.167 CC(=O)c1cc(ccc1Br)F 1458a_100000212315_200000210301 [1,1,0,0,0,0|2,0,0]=4 2016 B11R1.167 CC(=O)c1cc(ccc1Br)I 1458a_100000698340_200000210301 [1,1,0,0,0,0|2,0,0]=4 2017 B11R1.167 CC(=O)c1cc(ccc1Br)O 1458a_100012352043_200000210301 [1,1,0,0,0,0|2,0,0]=4 2018 B11R1.167 CC(=O)c1cc(ccc1C)Br 1458a_100000759961_200000210301 [1,1,0,0,0,0|2,0,0]=4 2019 B11R1.167 CC(=O)c1cc(ccc1C)C 1458a_100000195421_200000210301 [1,1,0,0,0,0|2,0,0]=4 2020 B11R1.167 CC(=O)c1cc(ccc1C)Cl 1458a_100000692595_200000210301 [1,1,0,0,0,0|2,0,0]=4 2021 B11R1.167 CC(=O)c1cc(ccc1C)F 1458a_100000240043_200000210301 [1,1,0,0,0,0|2,0,0]=4 2022 B11R1.167 CC(=O)c1cc(ccc1C)I 1458a_100000688012_200000210301 [1,1,0,0,0,0|2,0,0]=4 2023 B11R1.167 CC(=O)c1cc(ccc1C)O 1458a_100000687834_200000210301 [1,1,0,0,0,0|2,0,0]=4 2024 B11R1.167 CC(=O)c1cc(ccc1C)O 271570a_203496583355_100012706819 [1,1,0,0,0,0|2,0,0]=4 2025 B11R1.167 CC(=O)c1cc(ccc1Cl)Br 1458a_100000211212_200000210301 [1,1,0,0,0,0|2,0,0]=4 2026 B11R1.167 CC(=O)c1cc(ccc1Cl)C 1458a_100011290873_200000210301 [1,1,0,0,0,0|2,0,0]=4 2027 B11R1.167 CC(=O)c1cc(ccc1Cl)Cl 1458a_100000210642_200000210301 [1,1,0,0,0,0|2,0,0]=4 2028 B11R1.167 CC(=O)c1cc(ccc1Cl)F 1458a_100011219680_200000210301 [1,1,0,0,0,0|2,0,0]=4 2029 B11R1.167 CC(=O)c1cc(ccc1Cl)I 1458a_100000688013_200000210301 [1,1,0,0,0,0|2,0,0]=4 2030 B11R1.167 CC(=O)c1cc(ccc1Cl)O 1458a_100000719527_200000210301 [1,1,0,0,0,0|2,0,0]=4 2031 B11R1.167 CC(=O)c1cc(ccc1Cl)O 271570a_203496583355_100010712560 [1,1,0,0,0,0|2,0,0]=4 2032 B11R1.167 CC(=O)c1cc(ccc1F)Br 1458a_100000212322_200000210301 [1,1,0,0,0,0|2,0,0]=4 2033 B11R1.167 CC(=O)c1cc(ccc1F)C 1458a_100000749327_200000210301 [1,1,0,0,0,0|2,0,0]=4 2034 B11R1.167 CC(=O)c1cc(ccc1F)Cl 1458a_100000214954_200000210301 [1,1,0,0,0,0|2,0,0]=4 2035 B11R1.167 CC(=O)c1cc(ccc1F)F 1458a_100000198512_200000210301 [1,1,0,0,0,0|2,0,0]=4 2036 B11R1.167 CC(=O)c1cc(ccc1F)I 1458a_100000688014_200000210301 [1,1,0,0,0,0|2,0,0]=4 2037 B11R1.167 CC(=O)c1cc(ccc1F)O 1458a_100000037260_200000210301 [1,1,0,0,0,0|2,0,0]=4 2038 B11R1.167 CC(=O)c1cc(ccc1F)O 271570a_203496583355_100000689017 [1,1,0,0,0,0|2,0,0]=4 2039 B11R1.167 CC(=O)c1cc(ccc1I)Br 1458a_100000183945_200000210301 [1,1,0,0,0,0|2,0,0]=4 2040 B11R1.167 CC(=O)c1cc(ccc1I)C 1458a_100000057929_200000210301 [1,1,0,0,0,0|2,0,0]=4 2041 B11R1.167 CC(=O)c1cc(ccc1I)Cl 1458a_100000739379_200000210301 [1,1,0,0,0,0|2,0,0]=4 2042 B11R1.167 CC(=O)c1cc(ccc1I)F 1458a_100000748905_200000210301 [1,1,0,0,0,0|2,0,0]=4 2043 B11R1.167 CC(=O)c1cc(ccc1I)I 1458a_100000750460_200000210301 [1,1,0,0,0,0|2,0,0]=4 2044 B11R1.167 CC(=O)c1cc(ccc1I)O 1458a_200009995701_200000210301 [1,1,0,0,0,0|2,0,0]=4 2045 B11R1.167 CC(=O)c1cc(ccc1N)O 271570a_203496583355_100000695420 [1,1,0,0,0,0|2,0,0]=4 2046 B11R1.167 CC(=O)c1cc(ccc1O)Br 1458a_100000212140_200000210301 [1,1,0,0,0,0|1,0,0]=3 2047 B11R1.167 CC(=O)c1cc(ccc1O)Br 271570a_203496583355_100012349576 [1,1,0,0,0,0|1,0,0]=3 2048 B11R1.167 CC(=O)c1cc(ccc1O)C 1458a_100000229998_200000210301 [1,1,0,0,0,0|1,0,0]=3 2049 B11R1.167 CC(=O)c1cc(ccc1O)C 271570a_203496583355_100012361225 [1,1,0,0,0,0|1,0,0]=3 2050 B11R1.167 CC(=O)c1cc(ccc1O)Cl 1458a_100000212143_200000210301 [1,1,0,0,0,0|1,0,0]=3 2051 B11R1.167 CC(=O)c1cc(ccc1O)F 1458a_100000742286_200000210301 [1,1,0,0,0,0|1,0,0]=3 2052 B11R1.167 CC(=O)c1cc(ccc1O)F 271570a_203496583355_100012353695 [1,1,0,0,0,0|1,0,0]=3 2053 B11R1.167 CC(=O)c1cc(ccc1O)I 1458a_100000212111_200000210301 [1,1,0,0,0,0|1,0,0]=3 2054 B11R1.167 CC(=O)c1cc(ccc1O)N 271570a_203496583355_100012349454 [1,1,0,0,0,0|1,0,0]=3 2055 B11R1.167 CC(=O)c1cc(ccc1O)O 1458a_100000758025_200000210301 [1,1,0,0,0,0|1,0,0]=3 2056 B11R1.167 CC(=O)c1cc(ccc1O)O 271570a_203496583355_100000212127 [1,1,0,0,0,0|1,0,0]=3 2057 B11R1.167 CC(=O)c1cc(cnc1O)F 271570a_203496583355_100000118324 [1,1,0,0,0,0|2,0,0]=4 2058 B11R1.167 CC(N)c1cc(ccc1O)F 271570a_203496583355_100012343209 [1,1,0,0,0,0|1,0,1]=4 2059 B11R1.167 C[C@H](O)c1cc(ccc1O)F 271570a_203496583355_100134768474 [1,1,0,0,0,0|1,0,1]=4 2060 B11R1.167 Cc1ccc(c(c1)B(O)O)O 271570a_203496583355_200010883979 [1,1,0,0,0,0|1,0,1]=4 2061 B11R1.167 Cc1ccc(c(c1)C(=O)N)O 271570a_203496583355_200012349609 [1,1,0,0,0,0|0,0,0]=2 2062 B11R1.167 Cc1ccc(c(c1)C(=O)[13CH3])Br 1458a_100000689033_200025704644 [1,1,0,0,0,0|2,0,0]=4 2063 B11R1.167 Cc1ccc(c(c1)C(=O)[13CH3])C 1458a_100000195421_200025704644 [1,1,0,0,0,0|2,0,0]=4 2064 B11R1.167 Cc1ccc(c(c1)C(=O)[13CH3])Cl 1458a_100011290873_200025704644 [1,1,0,0,0,0|2,0,0]=4 2065 B11R1.167 Cc1ccc(c(c1)C(=O)[13CH3])F 1458a_100000749327_200025704644 [1,1,0,0,0,0|2,0,0]=4 2066 B11R1.167 Cc1ccc(c(c1)C(=O)[13CH3])I 1458a_100000057929_200025704644 [1,1,0,0,0,0|2,0,0]=4 2067 B11R1.167 Cc1ccc(c(c1)C(=O)[13CH3])O 1458a_100000229998_200025704644 [1,1,0,0,0,0|1,0,0]=3 2068 B11R1.167 Cc1ccc(cc1C(=O)N)O 271570a_203496583355_100012257281 [1,1,0,0,0,0|1,0,0]=3 2069 B11R1.167 Cc1ccc(cc1C(=O)[13CH3])Br 1458a_100000759961_200025704644 [1,1,0,0,0,0|2,0,0]=4 2070 B11R1.167 Cc1ccc(cc1C(=O)[13CH3])Cl 1458a_100000692595_200025704644 [1,1,0,0,0,0|2,0,0]=4 2071 B11R1.167 Cc1ccc(cc1C(=O)[13CH3])F 1458a_100000240043_200025704644 [1,1,0,0,0,0|2,0,0]=4 2072 B11R1.167 Cc1ccc(cc1C(=O)[13CH3])I 1458a_100000688012_200025704644 [1,1,0,0,0,0|2,0,0]=4 2073 B11R1.167 Cc1ccc(cc1C(=O)[13CH3])O 1458a_100000687834_200025704644 [1,1,0,0,0,0|2,0,0]=4 2074 B11R1.167 NC(=O)c1cc(ccc1F)O 271570a_203496583355_100000162119 [1,1,0,0,0,0|1,0,0]=3 2075 B11R1.167 NC(=O)c1cc(ccc1N)O 271570a_203496583355_100000740421 [1,1,0,0,0,0|1,0,0]=3 2076 B11R1.167 NC(=O)c1cc(ccc1O)Br 271570a_203496583355_200000162314 [1,1,0,0,0,0|0,0,0]=2 2077 B11R1.167 NC(=O)c1cc(ccc1O)F 271570a_203496583355_100000206434 [1,1,0,0,0,0|0,0,0]=2 2078 B11R1.167 NC(=O)c1cc(ccc1O)N 271570a_203496583355_100015186447 [1,1,0,0,0,0|0,0,0]=2 2079 B11R1.167 NC(=O)c1cc(ccc1O)O 271570a_203496583355_100000192807 [1,1,0,0,0,0|0,0,0]=2 2080 B11R1.167 NC(=O)c1cc(cnc1N)O 271570a_203496583355_100000701294 [1,1,0,0,0,0|2,0,0]=4 2081 B11R1.167 NC(=O)c1cc(cnc1O)F 271570a_203496583355_100012183597 [1,1,0,0,0,0|1,0,0]=3 2082 B11R1.167 NC(=O)c1cc(ncc1F)O 271570a_203496583355_100015943597 [1,1,0,0,0,0|2,0,0]=4 2083 B11R1.167 NC(=O)c1cc(ncc1N)O 271570a_203496583355_100012003536 [1,1,0,0,0,0|2,0,0]=4 2084 B11R1.167 NC(=O)c1nc(ccc1N)O 271570a_203496583355_100000093116 [1,1,0,0,0,0|2,0,0]=4 2085 B11R1.167 NC(=O)c1nc(cnc1O)O 271570a_203496583355_100010272261 [1,1,0,0,0,0|2,0,0]=4 2086 B11R1.167 OB(O)c1cc(ccc1O)F 271570a_203496583355_200009816908 [1,1,0,0,0,0|1,0,1]=4 2087 B11R1.167 OB(O)c1cc(ccc1O)O 271570a_203496583355_200009814749 [1,1,0,0,0,0|1,0,1]=4 2088 B11R1.167 [13CH3]C(=O)c1cc(ccc1Br)Br 1458a_100000690610_200025704644 [1,1,0,0,0,0|2,0,0]=4 2089 B11R1.167 [13CH3]C(=O)c1cc(ccc1Br)Cl 1458a_100000736951_200025704644 [1,1,0,0,0,0|2,0,0]=4 2090 B11R1.167 [13CH3]C(=O)c1cc(ccc1Br)F 1458a_100000212315_200025704644 [1,1,0,0,0,0|2,0,0]=4 2091 B11R1.167 [13CH3]C(=O)c1cc(ccc1Br)I 1458a_100000698340_200025704644 [1,1,0,0,0,0|2,0,0]=4 2092 B11R1.167 [13CH3]C(=O)c1cc(ccc1Br)O 1458a_100012352043_200025704644 [1,1,0,0,0,0|2,0,0]=4 2093 B11R1.167 [13CH3]C(=O)c1cc(ccc1Cl)Br 1458a_100000211212_200025704644 [1,1,0,0,0,0|2,0,0]=4 2094 B11R1.167 [13CH3]C(=O)c1cc(ccc1Cl)Cl 1458a_100000210642_200025704644 [1,1,0,0,0,0|2,0,0]=4 2095 B11R1.167 [13CH3]C(=O)c1cc(ccc1Cl)F 1458a_100011219680_200025704644 [1,1,0,0,0,0|2,0,0]=4 2096 B11R1.167 [13CH3]C(=O)c1cc(ccc1Cl)I 1458a_100000688013_200025704644 [1,1,0,0,0,0|2,0,0]=4 2097 B11R1.167 [13CH3]C(=O)c1cc(ccc1Cl)O 1458a_100000719527_200025704644 [1,1,0,0,0,0|2,0,0]=4 2098 B11R1.167 [13CH3]C(=O)c1cc(ccc1F)Br 1458a_100000212322_200025704644 [1,1,0,0,0,0|2,0,0]=4 2099 B11R1.167 [13CH3]C(=O)c1cc(ccc1F)Cl 1458a_100000214954_200025704644 [1,1,0,0,0,0|2,0,0]=4 2100 B11R1.167 [13CH3]C(=O)c1cc(ccc1F)F 1458a_100000198512_200025704644 [1,1,0,0,0,0|2,0,0]=4 2101 B11R1.167 [13CH3]C(=O)c1cc(ccc1F)I 1458a_100000688014_200025704644 [1,1,0,0,0,0|2,0,0]=4 2102 B11R1.167 [13CH3]C(=O)c1cc(ccc1F)O 1458a_100000037260_200025704644 [1,1,0,0,0,0|2,0,0]=4 2103 B11R1.167 [13CH3]C(=O)c1cc(ccc1I)Br 1458a_100000183945_200025704644 [1,1,0,0,0,0|2,0,0]=4 2104 B11R1.167 [13CH3]C(=O)c1cc(ccc1I)Cl 1458a_100000739379_200025704644 [1,1,0,0,0,0|2,0,0]=4 2105 B11R1.167 [13CH3]C(=O)c1cc(ccc1I)F 1458a_100000748905_200025704644 [1,1,0,0,0,0|2,0,0]=4 2106 B11R1.167 [13CH3]C(=O)c1cc(ccc1I)I 1458a_100000750460_200025704644 [1,1,0,0,0,0|2,0,0]=4 2107 B11R1.167 [13CH3]C(=O)c1cc(ccc1I)O 1458a_200009995701_200025704644 [1,1,0,0,0,0|2,0,0]=4 2108 B11R1.167 [13CH3]C(=O)c1cc(ccc1O)Br 1458a_100000212140_200025704644 [1,1,0,0,0,0|1,0,0]=3 2109 B11R1.167 [13CH3]C(=O)c1cc(ccc1O)Cl 1458a_100000212143_200025704644 [1,1,0,0,0,0|1,0,0]=3 2110 B11R1.167 [13CH3]C(=O)c1cc(ccc1O)F 1458a_100000742286_200025704644 [1,1,0,0,0,0|1,0,0]=3 2111 B11R1.167 [13CH3]C(=O)c1cc(ccc1O)I 1458a_100000212111_200025704644 [1,1,0,0,0,0|1,0,0]=3 2112 B11R1.167 [13CH3]C(=O)c1cc(ccc1O)O 1458a_100000758025_200025704644 [1,1,0,0,0,0|1,0,0]=3 2113 B13R1.40 C=CC(=O)Nc1cccc(c1O)Br 22a_100011934915_100000185746 [0,1,0,0,0,1|2,0,0]=4 2114 B13R1.40 C=CC(=O)Nc1cccc(c1O)C 1626a_100000756359_100000185746 [0,1,0,0,0,1|2,0,0]=4 2115 B13R1.40 C=CC(=O)Nc1cccc(c1O)C 22a_100000756359_100000185746 [0,1,0,0,0,1|2,0,0]=4 2116 B13R1.40 C=CC(=O)Nc1cccc(c1O)Cl 22a_100000754742_100000185746 [0,1,0,0,0,1|2,0,0]=4 2117 B13R1.40 C=CC(=O)Nc1cccc(c1O)F 1626a_100011934987_100000185746 [0,1,0,0,0,1|2,0,0]=4 2118 B13R1.40 C=CC(=O)Nc1cccc(c1O)F 22a_100011934987_100000185746 [0,1,0,0,0,1|2,0,0]=4 2119 B13R1.40 C=CC(=O)Nc1cccc(c1O)I 1626a_100010084371_100000185746 [0,1,0,0,0,1|2,0,0]=4 2120 B13R1.40 C=CC(=O)Nc1cccc(c1O)I 22a_100010084371_100000185746 [0,1,0,0,0,1|2,0,0]=4 2121 B13R1.40 CCC(=O)Nc1cccc(c1O)Br 22a_100011934915_100000210414 [0,1,0,0,0,1|2,0,0]=4 2122 B13R1.40 CCC(=O)Nc1cccc(c1O)Br 527a_100011934915_100000210414 [0,1,0,0,0,1|2,0,0]=4 2123 B13R1.40 CCC(=O)Nc1cccc(c1O)C 11a_100000756359_100000210414 [0,1,0,0,0,1|2,0,0]=4 2124 B13R1.40 CCC(=O)Nc1cccc(c1O)C 1626a_100000756359_100000210414 [0,1,0,0,0,1|2,0,0]=4 2125 B13R1.40 CCC(=O)Nc1cccc(c1O)C 22a_100000756359_100000210414 [0,1,0,0,0,1|2,0,0]=4 2126 B13R1.40 CCC(=O)Nc1cccc(c1O)C 527a_100000756359_100000210414 [0,1,0,0,0,1|2,0,0]=4 2127 B13R1.40 CCC(=O)Nc1cccc(c1O)Cl 22a_100000754742_100000210414 [0,1,0,0,0,1|2,0,0]=4 2128 B13R1.40 CCC(=O)Nc1cccc(c1O)Cl 527a_100000754742_100000210414 [0,1,0,0,0,1|2,0,0]=4 2129 B13R1.40 CCC(=O)Nc1cccc(c1O)F 1626a_100011934987_100000210414 [0,1,0,0,0,1|2,0,0]=4 2130 B13R1.40 CCC(=O)Nc1cccc(c1O)F 22a_100011934987_100000210414 [0,1,0,0,0,1|2,0,0]=4 2131 B13R1.40 CCC(=O)Nc1cccc(c1O)F 527a_100011934987_100000210414 [0,1,0,0,0,1|2,0,0]=4 2132 B13R1.40 CCC(=O)Nc1cccc(c1O)I 1626a_100010084371_100000210414 [0,1,0,0,0,1|2,0,0]=4 2133 B13R1.40 CCC(=O)Nc1cccc(c1O)I 22a_100010084371_100000210414 [0,1,0,0,0,1|2,0,0]=4 2134 B13R1.40 CCC(=O)Nc1cccc(c1O)I 527a_100010084371_100000210414 [0,1,0,0,0,1|2,0,0]=4 2135 B13R1.40 CNC(=O)Cc1cccc(c1Br)C 11a_106832991635_100010147021 [0,1,0,0,0,1|2,0,0]=4 2136 B13R1.40 CNC(=O)Cc1cccc(c1Br)C 1626a_100102657272_100010147021 [0,1,0,0,0,1|2,0,0]=4 2137 B13R1.40 CNC(=O)Cc1cccc(c1Br)C 240690a_100102657272_100010147021 [0,1,0,0,0,1|2,0,0]=4 2138 B13R1.40 CNC(=O)Cc1cccc(c1Br)C 527a_100102657272_100010147021 [0,1,0,0,0,1|2,0,0]=4 2139 B13R1.40 CNC(=O)Cc1cccc(c1Br)Cl 11a_106832991635_100010145769 [0,1,0,0,0,1|2,0,0]=4 2140 B13R1.40 CNC(=O)Cc1cccc(c1Br)Cl 1626a_100102657272_100010145769 [0,1,0,0,0,1|2,0,0]=4 2141 B13R1.40 CNC(=O)Cc1cccc(c1Br)Cl 240690a_100102657272_100010145769 [0,1,0,0,0,1|2,0,0]=4 2142 B13R1.40 CNC(=O)Cc1cccc(c1Br)Cl 527a_100102657272_100010145769 [0,1,0,0,0,1|2,0,0]=4 2143 B13R1.40 CNC(=O)Cc1cccc(c1Br)F 11a_106832991635_100012356664 [0,1,0,0,0,1|2,0,0]=4 2144 B13R1.40 CNC(=O)Cc1cccc(c1Br)F 1626a_100102657272_100012356664 [0,1,0,0,0,1|2,0,0]=4 2145 B13R1.40 CNC(=O)Cc1cccc(c1Br)F 240690a_100102657272_100012356664 [0,1,0,0,0,1|2,0,0]=4 2146 B13R1.40 CNC(=O)Cc1cccc(c1Br)F 527a_100102657272_100012356664 [0,1,0,0,0,1|2,0,0]=4 2147 B13R1.40 CNC(=O)Cc1cccc(c1C)C 11a_106832991635_100011698479 [0,1,0,0,0,1|2,0,0]=4 2148 B13R1.40 CNC(=O)Cc1cccc(c1C)C 1626a_100102657272_100011698479 [0,1,0,0,0,1|2,0,0]=4 2149 B13R1.40 CNC(=O)Cc1cccc(c1C)C 240690a_100102657272_100011698479 [0,1,0,0,0,1|2,0,0]=4 2150 B13R1.40 CNC(=O)Cc1cccc(c1C)C 527a_100102657272_100011698479 [0,1,0,0,0,1|2,0,0]=4 2151 B13R1.40 CNC(=O)Cc1cccc(c1C)F 11a_106832991635_100000035905 [0,1,0,0,0,1|2,0,0]=4 2152 B13R1.40 CNC(=O)Cc1cccc(c1C)F 1626a_100102657272_100000035905 [0,1,0,0,0,1|2,0,0]=4 2153 B13R1.40 CNC(=O)Cc1cccc(c1C)F 240690a_100102657272_100000035905 [0,1,0,0,0,1|2,0,0]=4 2154 B13R1.40 CNC(=O)Cc1cccc(c1C)F 527a_100102657272_100000035905 [0,1,0,0,0,1|2,0,0]=4 2155 B13R1.40 CNC(=O)Cc1cccc(c1Cl)Br 11a_106832991635_100010145770 [0,1,0,0,0,1|2,0,0]=4 2156 B13R1.40 CNC(=O)Cc1cccc(c1Cl)Br 1626a_100102657272_100010145770 [0,1,0,0,0,1|2,0,0]=4 2157 B13R1.40 CNC(=O)Cc1cccc(c1Cl)Br 240690a_100102657272_100010145770 [0,1,0,0,0,1|2,0,0]=4 2158 B13R1.40 CNC(=O)Cc1cccc(c1Cl)Br 527a_100102657272_100010145770 [0,1,0,0,0,1|2,0,0]=4 2159 B13R1.40 CNC(=O)Cc1cccc(c1Cl)Cl 11a_106832991635_100000759314 [0,1,0,0,0,1|2,0,0]=4 2160 B13R1.40 CNC(=O)Cc1cccc(c1Cl)Cl 1626a_100102657272_100000759314 [0,1,0,0,0,1|2,0,0]=4 2161 B13R1.40 CNC(=O)Cc1cccc(c1Cl)Cl 240690a_100102657272_100000759314 [0,1,0,0,0,1|2,0,0]=4 2162 B13R1.40 CNC(=O)Cc1cccc(c1Cl)Cl 527a_100102657272_100000759314 [0,1,0,0,0,1|2,0,0]=4 2163 B13R1.40 CNC(=O)Cc1cccc(c1Cl)F 11a_106832991635_100012001123 [0,1,0,0,0,1|2,0,0]=4 2164 B13R1.40 CNC(=O)Cc1cccc(c1Cl)F 1626a_100102657272_100012001123 [0,1,0,0,0,1|2,0,0]=4 2165 B13R1.40 CNC(=O)Cc1cccc(c1Cl)F 240690a_100102657272_100012001123 [0,1,0,0,0,1|2,0,0]=4 2166 B13R1.40 CNC(=O)Cc1cccc(c1Cl)F 527a_100102657272_100012001123 [0,1,0,0,0,1|2,0,0]=4 2167 B13R1.40 CNC(=O)Cc1cccc(c1F)Br 11a_106832991635_100011935088 [0,1,0,0,0,1|2,0,0]=4 2168 B13R1.40 CNC(=O)Cc1cccc(c1F)Br 1626a_100102657272_100011935088 [0,1,0,0,0,1|2,0,0]=4 2169 B13R1.40 CNC(=O)Cc1cccc(c1F)Br 240690a_100102657272_100011935088 [0,1,0,0,0,1|2,0,0]=4 2170 B13R1.40 CNC(=O)Cc1cccc(c1F)Br 527a_100102657272_100011935088 [0,1,0,0,0,1|2,0,0]=4 2171 B13R1.40 CNC(=O)Cc1cccc(c1F)Cl 11a_106832991635_100000709823 [0,1,0,0,0,1|2,0,0]=4 2172 B13R1.40 CNC(=O)Cc1cccc(c1F)Cl 1626a_100102657272_100000709823 [0,1,0,0,0,1|2,0,0]=4 2173 B13R1.40 CNC(=O)Cc1cccc(c1F)Cl 240690a_100102657272_100000709823 [0,1,0,0,0,1|2,0,0]=4 2174 B13R1.40 CNC(=O)Cc1cccc(c1F)Cl 527a_100102657272_100000709823 [0,1,0,0,0,1|2,0,0]=4 2175 B13R1.40 CNC(=O)Cc1cccc(c1F)F 11a_106832991635_100000684727 [0,1,0,0,0,1|2,0,0]=4 2176 B13R1.40 CNC(=O)Cc1cccc(c1F)F 1626a_100102657272_100000684727 [0,1,0,0,0,1|2,0,0]=4 2177 B13R1.40 CNC(=O)Cc1cccc(c1F)F 240690a_100102657272_100000684727 [0,1,0,0,0,1|2,0,0]=4 2178 B13R1.40 CNC(=O)Cc1cccc(c1F)F 527a_100102657272_100000684727 [0,1,0,0,0,1|2,0,0]=4 2179 B13R1.40 CNC(=O)Nc1cccc(c1Br)C 2430a_100000684715_100102657272 [0,1,0,0,0,1|2,0,0]=4 2180 B13R1.40 CNC(=O)Nc1cccc(c1Br)Cl 2430a_100000687072_100102657272 [0,1,0,0,0,1|2,0,0]=4 2181 B13R1.40 CNC(=O)Nc1cccc(c1Br)F 2430a_100011934729_100102657272 [0,1,0,0,0,1|2,0,0]=4 2182 B13R1.40 CNC(=O)Nc1cccc(c1Br)O 2430a_100012183704_100102657272 [0,1,0,0,0,1|2,0,0]=4 2183 B13R1.40 CNC(=O)Nc1cccc(c1C)Br 2430a_100000750434_100102657272 [0,1,0,0,0,1|2,0,0]=4 2184 B13R1.40 CNC(=O)Nc1cccc(c1C)C 2430a_100000210026_100102657272 [0,1,0,0,0,1|2,0,0]=4 2185 B13R1.40 CNC(=O)Nc1cccc(c1C)Cl 2430a_100000210441_100102657272 [0,1,0,0,0,1|2,0,0]=4 2186 B13R1.40 CNC(=O)Nc1cccc(c1C)F 2430a_100000745574_100102657272 [0,1,0,0,0,1|2,0,0]=4 2187 B13R1.40 CNC(=O)Nc1cccc(c1C)I 2430a_100000761887_100102657272 [0,1,0,0,0,1|2,0,0]=4 2188 B13R1.40 CNC(=O)Nc1cccc(c1C)O 2430a_100011216573_100102657272 [0,1,0,0,0,1|2,0,0]=4 2189 B13R1.40 CNC(=O)Nc1cccc(c1Cl)Br 2430a_100000687075_100102657272 [0,1,0,0,0,1|2,0,0]=4 2190 B13R1.40 CNC(=O)Nc1cccc(c1Cl)C 2430a_100000765562_100102657272 [0,1,0,0,0,1|2,0,0]=4 2191 B13R1.40 CNC(=O)Nc1cccc(c1Cl)Cl 2430a_100000185733_100102657272 [0,1,0,0,0,1|2,0,0]=4 2192 B13R1.40 CNC(=O)Nc1cccc(c1Cl)F 2430a_100000692321_100102657272 [0,1,0,0,0,1|2,0,0]=4 2193 B13R1.40 CNC(=O)Nc1cccc(c1Cl)O 2430a_100012002038_100102657272 [0,1,0,0,0,1|2,0,0]=4 2194 B13R1.40 CNC(=O)Nc1cccc(c1F)Br 2430a_100011935091_100102657272 [0,1,0,0,0,1|2,0,0]=4 2195 B13R1.40 CNC(=O)Nc1cccc(c1F)Br 512a_100011935091_100102657272 [0,1,0,0,0,1|2,0,0]=4 2196 B13R1.40 CNC(=O)Nc1cccc(c1F)C 2430a_100000697159_100102657272 [0,1,0,0,0,1|2,0,0]=4 2197 B13R1.40 CNC(=O)Nc1cccc(c1F)C 512a_100000697159_100102657272 [0,1,0,0,0,1|2,0,0]=4 2198 B13R1.40 CNC(=O)Nc1cccc(c1F)Cl 2430a_100000199060_100102657272 [0,1,0,0,0,1|2,0,0]=4 2199 B13R1.40 CNC(=O)Nc1cccc(c1F)F 2430a_100000743855_100102657272 [0,1,0,0,0,1|2,0,0]=4 2200 B13R1.40 CNC(=O)Nc1cccc(c1F)F 512a_100000743855_100102657272 [0,1,0,0,0,1|2,0,0]=4 2201 B13R1.40 CNC(=O)Nc1cccc(c1I)Br 2430a_100020590159_100102657272 [0,1,0,0,0,1|2,0,0]=4 2202 B13R1.40 CNC(=O)Nc1cccc(c1I)Br 512a_100020590159_100102657272 [0,1,0,0,0,1|2,0,0]=4 2203 B13R1.40 CNC(=O)Nc1cccc(c1I)C 2430a_100000761888_100102657272 [0,1,0,0,0,1|2,0,0]=4 2204 B13R1.40 CNC(=O)Nc1cccc(c1I)Cl 2430a_100000049713_100102657272 [0,1,0,0,0,1|2,0,0]=4 2205 B13R1.40 CNC(=O)Nc1cccc(c1I)F 512a_100000690935_100102657272 [0,1,0,0,0,1|2,0,0]=4 2206 B13R1.40 CNC(=O)Nc1cccc(c1O)Br 2430a_100011934915_100102657272 [0,1,0,0,0,1|1,0,0]=3 2207 B13R1.40 CNC(=O)Nc1cccc(c1O)C 2430a_100000756359_100102657272 [0,1,0,0,0,1|1,0,0]=3 2208 B13R1.40 CNC(=O)Nc1cccc(c1O)Cl 2430a_100000754742_100102657272 [0,1,0,0,0,1|1,0,0]=3 2209 B13R1.40 CNC(=O)Nc1cccc(c1O)F 2430a_100011934987_100102657272 [0,1,0,0,0,1|1,0,0]=3 2210 B13R1.40 CNC(=O)Nc1cccc(c1O)I 2430a_100010084371_100102657272 [0,1,0,0,0,1|1,0,0]=3 2211 B13R1.40 COC(=O)Cc1cccc(c1O)C 271570a_203496583355_200010150888 [0,1,0,0,0,1|2,0,0]=4 2212 B13R1.40 COC(=O)Cc1cccc(c1O)O 271570a_203496583355_100010150830 [0,1,0,0,0,1|2,0,0]=4 2213 B13R1.40 Cc1c(cccc1CC(=O)CO)Br 1458a_100000210174_100000694682 [0,1,0,0,0,1|2,0,0]=4 2214 B13R1.40 Cc1c(cccc1CC(=O)CO)Cl 1458a_100000210174_100012186920 [0,1,0,0,0,1|2,0,0]=4 2215 B13R1.40 Cc1c(cccc1CC(=O)CO)F 1458a_100000210174_100009813626 [0,1,0,0,0,1|2,0,0]=4 2216 B13R1.40 Cc1c(cccc1CC(=O)CO)I 1458a_100000210174_100010150147 [0,1,0,0,0,1|2,0,0]=4 2217 B13R1.40 Cc1c(cccc1NC(=O)CO)Br 22a_100000750434_100000210174 [0,1,0,0,0,1|2,0,0]=4 2218 B13R1.40 Cc1c(cccc1NC(=O)CO)Br 527a_100000750434_100000210174 [0,1,0,0,0,1|2,0,0]=4 2219 B13R1.40 Cc1c(cccc1NC(=O)CO)Cl 22a_100000210441_100000210174 [0,1,0,0,0,1|2,0,0]=4 2220 B13R1.40 Cc1c(cccc1NC(=O)CO)Cl 527a_100000210441_100000210174 [0,1,0,0,0,1|2,0,0]=4 2221 B13R1.40 Cc1c(cccc1NC(=O)CO)F 22a_100000745574_100000210174 [0,1,0,0,0,1|2,0,0]=4 2222 B13R1.40 Cc1c(cccc1NC(=O)CO)F 527a_100000745574_100000210174 [0,1,0,0,0,1|2,0,0]=4 2223 B13R1.40 Cc1c(cccc1NC(=O)CO)I 22a_100000761887_100000210174 [0,1,0,0,0,1|2,0,0]=4 2224 B13R1.40 Cc1c(cccc1NC(=O)CO)I 527a_100000761887_100000210174 [0,1,0,0,0,1|2,0,0]=4 2225 B13R1.40 Cc1c(cccc1NC(=O)CO)O 22a_100011216573_100000210174 [0,1,0,0,0,1|2,0,0]=4 2226 B13R1.40 Cc1c(cccc1NC(=O)CO)O 527a_100011216573_100000210174 [0,1,0,0,0,1|2,0,0]=4 2227 B13R1.40 Cc1cccc(c1Br)CC(=O)CO 1458a_100000210174_200012349612 [0,1,0,0,0,1|2,0,0]=4 2228 B13R1.40 Cc1cccc(c1Br)NC(=O)CO 22a_100000684715_100000210174 [0,1,0,0,0,1|2,0,0]=4 2229 B13R1.40 Cc1cccc(c1C)CC(=O)CO 1458a_100000210174_100011515928 [0,1,0,0,0,1|2,0,0]=4 2230 B13R1.40 Cc1cccc(c1C)NC(=O)CO 22a_100000210026_100000210174 [0,1,0,0,0,1|2,0,0]=4 2231 B13R1.40 Cc1cccc(c1C)NC(=O)CO 527a_100000210026_100000210174 [0,1,0,0,0,1|2,0,0]=4 2232 B13R1.40 Cc1cccc(c1Cl)NC(=O)CO 22a_100000765562_100000210174 [0,1,0,0,0,1|2,0,0]=4 2233 B13R1.40 Cc1cccc(c1F)CC(=O)CO 1458a_100000210174_100011216058 [0,1,0,0,0,1|2,0,0]=4 2234 B13R1.40 Cc1cccc(c1F)NC(=O)CO 527a_100000697159_100000210174 [0,1,0,0,0,1|2,0,0]=4 2235 B13R1.40 Cc1cccc(c1O)NC(=O)CO 22a_100000756359_100000210174 [0,1,0,0,0,1|1,0,0]=3 2236 B13R1.40 Cc1cccc(c1O)NC(=O)CO 527a_100000756359_100000210174 [0,1,0,0,0,1|1,0,0]=3 2237 B13R1.40 O=C(CO)Cc1cccc(c1Br)Cl 1458a_100000210174_100010145525 [0,1,0,0,0,1|2,0,0]=4 2238 B13R1.40 O=C(CO)Cc1cccc(c1Br)F 1458a_100000210174_100012351116 [0,1,0,0,0,1|2,0,0]=4 2239 B13R1.40 O=C(CO)Cc1cccc(c1Br)I 1458a_100000210174_100010254545 [0,1,0,0,0,1|2,0,0]=4 2240 B13R1.40 O=C(CO)Cc1cccc(c1Cl)Br 1458a_100000210174_100012349491 [0,1,0,0,0,1|2,0,0]=4 2241 B13R1.40 O=C(CO)Cc1cccc(c1Cl)Cl 1458a_100000210174_100000720918 [0,1,0,0,0,1|2,0,0]=4 2242 B13R1.40 O=C(CO)Cc1cccc(c1Cl)F 1458a_100000210174_100000696688 [0,1,0,0,0,1|2,0,0]=4 2243 B13R1.40 O=C(CO)Cc1cccc(c1F)Br 1458a_100000210174_100012356507 [0,1,0,0,0,1|2,0,0]=4 2244 B13R1.40 O=C(CO)Cc1cccc(c1F)Cl 1458a_100000210174_100000716733 [0,1,0,0,0,1|2,0,0]=4 2245 B13R1.40 O=C(CO)Cc1cccc(c1F)F 1458a_100000210174_100000217499 [0,1,0,0,0,1|2,0,0]=4 2246 B13R1.40 O=C(CO)Cc1cccc(c1I)F 1458a_100000210174_100010149603 [0,1,0,0,0,1|2,0,0]=4 2247 B13R1.40 O=C(CO)Nc1cccc(c1Br)O 22a_100012183704_100000210174 [0,1,0,0,0,1|2,0,0]=4 2248 B13R1.40 O=C(CO)Nc1cccc(c1Cl)Br 527a_100000687075_100000210174 [0,1,0,0,0,1|2,0,0]=4 2249 B13R1.40 O=C(CO)Nc1cccc(c1Cl)F 22a_100000692321_100000210174 [0,1,0,0,0,1|2,0,0]=4 2250 B13R1.40 O=C(CO)Nc1cccc(c1Cl)O 22a_100012002038_100000210174 [0,1,0,0,0,1|2,0,0]=4 2251 B13R1.40 O=C(CO)Nc1cccc(c1F)Br 22a_100011935091_100000210174 [0,1,0,0,0,1|2,0,0]=4 2252 B13R1.40 O=C(CO)Nc1cccc(c1F)Br 527a_100011935091_100000210174 [0,1,0,0,0,1|2,0,0]=4 2253 B13R1.40 O=C(CO)Nc1cccc(c1F)Cl 22a_100000199060_100000210174 [0,1,0,0,0,1|2,0,0]=4 2254 B13R1.40 O=C(CO)Nc1cccc(c1F)F 22a_100000743855_100000210174 [0,1,0,0,0,1|2,0,0]=4 2255 B13R1.40 O=C(CO)Nc1cccc(c1O)Br 22a_100011934915_100000210174 [0,1,0,0,0,1|1,0,0]=3 2256 B13R1.40 O=C(CO)Nc1cccc(c1O)Br 527a_100011934915_100000210174 [0,1,0,0,0,1|1,0,0]=3 2257 B13R1.40 O=C(CO)Nc1cccc(c1O)Cl 22a_100000754742_100000210174 [0,1,0,0,0,1|1,0,0]=3 2258 B13R1.40 O=C(CO)Nc1cccc(c1O)Cl 527a_100000754742_100000210174 [0,1,0,0,0,1|1,0,0]=3 2259 B13R1.40 O=C(CO)Nc1cccc(c1O)F 22a_100011934987_100000210174 [0,1,0,0,0,1|1,0,0]=3 2260 B13R1.40 O=C(CO)Nc1cccc(c1O)F 527a_100011934987_100000210174 [0,1,0,0,0,1|1,0,0]=3 2261 B13R1.40 O=C(CO)Nc1cccc(c1O)I 22a_100010084371_100000210174 [0,1,0,0,0,1|1,0,0]=3 2262 B13R1.40 O=C(CO)Nc1cccc(c1O)I 527a_100010084371_100000210174 [0,1,0,0,0,1|1,0,0]=3 2263 B13R1.91 C#CC(=O)Cc1ccccc1CO 1458a_100000211873_100009816955 [0,1,0,0,0,1|2,0,0]=4 2264 B13R1.91 C#CC(=O)Cc1ccccc1OC 1458a_100000211873_100000210004 [0,1,0,0,0,1|2,0,0]=4 2265 B13R1.91 C#Cc1ccccc1NC(=O)CO 22a_100011470550_100000210174 [0,1,0,0,0,1|2,0,0]=4 2266 B13R1.91 C#Cc1ccccc1NC(=O)NC 2430a_100011470550_100102657272 [0,1,0,0,0,1|2,0,0]=4 2267 B13R1.91 C=CC(=O)Cc1ccccc1CO 1458a_100000185746_100009816955 [0,1,0,0,0,1|2,0,0]=4 2268 B13R1.91 C=CC(=O)Cc1ccccc1OC 1458a_100000185746_100000210004 [0,1,0,0,0,1|2,0,0]=4 2269 B13R1.91 C=CC(=O)Nc1ccccc1CO 22a_100000212039_100000185746 [0,1,0,0,0,1|2,0,0]=4 2270 B13R1.91 C=CC(=O)Nc1ccccc1OC 1626a_100000210025_100000185746 [0,1,0,0,0,1|2,0,0]=4 2271 B13R1.91 C=CC(=O)Nc1ccccc1OC 22a_100000210025_100000185746 [0,1,0,0,0,1|2,0,0]=4 2272 B13R1.91 C=Cc1ccccc1CC(=O)NC 271570a_100011290941_200009816160 [0,1,0,0,0,1|2,0,0]=4 2273 B13R1.91 C=Cc1ccccc1CC(=O)NN 271570a_100011290941_200010210069 [0,1,0,0,0,1|2,0,0]=4 2274 B13R1.91 C=Cc1ccccc1NC(=O)CO 22a_100012022501_100000210174 [0,1,0,0,0,1|2,0,0]=4 2275 B13R1.91 C=Cc1ccccc1NC(=O)NC 2430a_100012022501_100102657272 [0,1,0,0,0,1|2,0,0]=4 2276 B13R1.91 CCC(=O)Cc1ccccc1CO 1458a_100000210414_100009816955 [0,1,0,0,0,1|2,0,0]=4 2277 B13R1.91 CCC(=O)Cc1ccccc1OC 1458a_100000210414_100000210004 [0,1,0,0,0,1|2,0,0]=4 2278 B13R1.91 CCC(=O)Cc1ccccc1OC 1458a_100000211604_100000210202 [0,1,0,0,0,1|2,0,0]=4 2279 B13R1.91 CCC(=O)Nc1ccccc1CO 22a_100000212039_100000210414 [0,1,0,0,0,1|2,0,0]=4 2280 B13R1.91 CCC(=O)Nc1ccccc1OC 11a_100000210025_100000210414 [0,1,0,0,0,1|2,0,0]=4 2281 B13R1.91 CCC(=O)Nc1ccccc1OC 1626a_100000210025_100000210414 [0,1,0,0,0,1|2,0,0]=4 2282 B13R1.91 CCC(=O)Nc1ccccc1OC 22a_100000210025_100000210414 [0,1,0,0,0,1|2,0,0]=4 2283 B13R1.91 CCC(=O)Nc1ccccc1OC 527a_100000210025_100000210414 [0,1,0,0,0,1|2,0,0]=4 2284 B13R1.91 CCc1ccccc1NC(=O)CO 22a_100000212081_100000210174 [0,1,0,0,0,1|2,0,0]=4 2285 B13R1.91 CCc1ccccc1NC(=O)CO 527a_100000212081_100000210174 [0,1,0,0,0,1|2,0,0]=4 2286 B13R1.91 CCc1ccccc1NC(=O)NC 2430a_100000212081_100102657272 [0,1,0,0,0,1|2,0,0]=4 2287 B13R1.91 CNC(=O)Cc1ccccc1C#N 11a_106832991635_100000238613 [0,1,0,0,0,1|2,0,0]=4 2288 B13R1.91 CNC(=O)Cc1ccccc1C#N 527a_100102657272_100000238613 [0,1,0,0,0,1|2,0,0]=4 2289 B13R1.91 CNC(=O)Cc1ccccc1NC 2230a_100000738506_200000210301 [0,1,0,0,0,1|2,0,0]=4 2290 B13R1.91 CNC(=O)Cc1ccccc1NC 34a_100000738506_200000210301 [0,1,0,0,0,1|2,0,0]=4 2291 B13R1.91 CNC(=O)Cc1ccccc1N[13CH3] 2230a_100000738506_200025704644 [0,1,0,0,0,1|2,0,0]=4 2292 B13R1.91 CNC(=O)Cc1ccccc1N[13CH3] 34a_100000738506_200025704644 [0,1,0,0,0,1|2,0,0]=4 2293 B13R1.91 CNC(=O)Cc1ccccc1OC 11a_106832991635_100000211604 [0,1,0,0,0,1|1,0,0]=3 2294 B13R1.91 CNC(=O)Cc1ccccc1OC 1626a_100102657272_100000211604 [0,1,0,0,0,1|1,0,0]=3 2295 B13R1.91 CNC(=O)Cc1ccccc1OC 240690a_100102657272_100000211604 [0,1,0,0,0,1|1,0,0]=3 2296 B13R1.91 CNC(=O)Cc1ccccc1OC 527a_100102657272_100000211604 [0,1,0,0,0,1|1,0,0]=3 2297 B13R1.91 CNC(=O)Cc1ccccc1SC 62a_200000210301_200009816160 [0,1,0,0,0,1|1,1,0]=4 2298 B13R1.91 CNC(=O)Cc1ccccc1SC 62a_200009816160_200000210301 [0,1,0,0,0,1|1,1,0]=4 2299 B13R1.91 CNC(=O)Cc1ccccc1S[13CH3] 62a_200009816160_200025704644 [0,1,0,0,0,1|1,1,0]=4 2300 B13R1.91 CNC(=O)Cc1ccccc1S[13CH3] 62a_200025704644_200009816160 [0,1,0,0,0,1|1,1,0]=4 2301 B13R1.91 CNC(=O)Nc1ccccc1C#N 2430a_100000211148_100102657272 [0,1,0,0,0,1|2,0,0]=4 2302 B13R1.91 CNC(=O)Nc1ccccc1OC 2430a_100000210025_100102657272 [0,1,0,0,0,1|1,0,0]=3 2303 B13R1.91 CNC(=O)Nc1ccccc1SC 2430a_100000211160_100102657272 [0,1,0,0,0,1|1,1,0]=4 2304 B13R1.91 CNC(=O)Nc1ccccc1SC 512a_100000211160_100102657272 [0,1,0,0,0,1|1,1,0]=4 2305 B13R1.91 COC(=O)Cc1ccccc1OC 7a_100000758901_200000210301 [0,1,0,0,0,1|2,0,0]=4 2306 B13R1.91 COC(=O)Cc1ccccc1O[13CH3] 7a_100000758901_200025704644 [0,1,0,0,0,1|2,0,0]=4 2307 B13R1.91 COc1ccccc1CC(=O)CF 1458a_100000211604_100015361967 [0,1,0,0,0,1|2,0,0]=4 2308 B13R1.91 COc1ccccc1CC(=O)CO 1458a_100000210174_100000210004 [0,1,0,0,0,1|1,0,0]=3 2309 B13R1.91 COc1ccccc1CC(=O)NN 34a_200012021708_200000210301 [0,1,0,0,0,1|1,0,0]=3 2310 B13R1.91 COc1ccccc1NC(=O)CCl 7a_100000014494_200000210301 [0,1,0,0,0,1|2,0,0]=4 2311 B13R1.91 COc1ccccc1NC(=O)CO 22a_100000210025_100000210174 [0,1,0,0,0,1|1,0,0]=3 2312 B13R1.91 COc1ccccc1NC(=O)CO 527a_100000210025_100000210174 [0,1,0,0,0,1|1,0,0]=3 2313 B13R1.91 COc1cnccc1CC(=O)CO 1458a_100000210174_100020635607 [0,1,0,0,0,1|2,0,0]=4 2314 B13R1.91 COc1ncccc1CC(=O)CO 1458a_100000210174_100020631285 [0,1,0,0,0,1|2,0,0]=4 2315 B13R1.91 CSc1ccccc1CC(=O)CO 1458a_100000210174_100000699184 [0,1,0,0,0,1|1,1,0]=4 2316 B13R1.91 CSc1ccccc1CC(=O)NN 62a_200000210301_200010210069 [0,1,0,0,0,1|1,1,0]=4 2317 B13R1.91 CSc1ccccc1CC(=O)NN 62a_200010210069_200000210301 [0,1,0,0,0,1|1,1,0]=4 2318 B13R1.91 CSc1ccccc1NC(=O)CO 22a_100000211160_100000210174 [0,1,0,0,0,1|1,1,0]=4 2319 B13R1.91 N#Cc1ccccc1CC(=O)CO 1458a_100000210174_100000181865 [0,1,0,0,0,1|2,0,0]=4 2320 B13R1.91 O=C(CO)Cc1ccccc1CO 1458a_100000210174_100009816955 [0,1,0,0,0,1|1,0,0]=3 2321 B13R1.91 O=C(CO)Nc1ccccc1CO 22a_100000212039_100000210174 [0,1,0,0,0,1|1,0,0]=3 2322 B13R1.91 O=Cc1ccccc1CC(=O)CO 1458a_100000210174_200009853537 [0,1,0,0,0,1|1,0,1]=4 2323 B13R1.91 [13CH3]Oc1ccccc1CC(=O)NN 34a_200012021708_200025704644 [0,1,0,0,0,1|1,0,0]=3 2324 B13R1.91 [13CH3]Oc1ccccc1NC(=O)CCl 7a_100000014494_200025704644 [0,1,0,0,0,1|2,0,0]=4 2325 B13R1.91 [13CH3]Sc1ccccc1CC(=O)NN 62a_200010210069_200025704644 [0,1,0,0,0,1|1,1,0]=4 2326 B13R1.91 [13CH3]Sc1ccccc1CC(=O)NN 62a_200025704644_200010210069 [0,1,0,0,0,1|1,1,0]=4 2327 B13R1.202 C=C(C)C(=O)Nc1ccccc1O 22a_100000185747_100000185857 [0,1,0,0,0,1|2,0,0]=4 2328 B13R1.202 C=C(Cl)C(=O)Nc1ccccc1O 22a_100000185747_100000039160 [0,1,0,0,0,1|2,0,0]=4 2329 B13R1.202 C=C(F)C(=O)Nc1ccccc1O 22a_100000185747_100000036797 [0,1,0,0,0,1|2,0,0]=4 2330 B13R1.202 CC(C)C(=O)Cc1ccccc1O 1458a_100000743006_100000210206 [0,1,0,0,0,1|2,0,0]=4 2331 B13R1.202 CC(C)C(=O)Nc1ccccc1O 22a_100000185747_100000210198 [0,1,0,0,0,1|2,0,0]=4 2332 B13R1.202 CC(C)C(=O)Nc1ccccc1O 527a_100000185747_100000210198 [0,1,0,0,0,1|2,0,0]=4 2333 B13R1.202 CC(F)C(=O)Nc1ccccc1O 22a_100000185747_100000062450 [0,1,0,0,0,1|2,0,0]=4 2334 B13R1.202 CC(F)C(=O)Nc1ccccc1O 527a_100000185747_100000062450 [0,1,0,0,0,1|2,0,0]=4 2335 B13R1.202 CN(C)C(=O)Cc1ccccc1Br 11a_100102631434_100000751119 [0,1,0,0,0,1|2,0,0]=4 2336 B13R1.202 CN(C)C(=O)Cc1ccccc1Br 240690a_100102631434_100000751119 [0,1,0,0,0,1|2,0,0]=4 2337 B13R1.202 CN(C)C(=O)Cc1ccccc1Br 527a_100102631434_100000751119 [0,1,0,0,0,1|2,0,0]=4 2338 B13R1.202 CN(C)C(=O)Cc1ccccc1Cl 11a_100102631434_100000183793 [0,1,0,0,0,1|2,0,0]=4 2339 B13R1.202 CN(C)C(=O)Cc1ccccc1Cl 1626a_100102631434_100000183793 [0,1,0,0,0,1|2,0,0]=4 2340 B13R1.202 CN(C)C(=O)Cc1ccccc1Cl 240690a_100102631434_100000183793 [0,1,0,0,0,1|2,0,0]=4 2341 B13R1.202 CN(C)C(=O)Cc1ccccc1Cl 527a_100102631434_100000183793 [0,1,0,0,0,1|2,0,0]=4 2342 B13R1.202 CN(C)C(=O)Cc1ccccc1F 11a_100102631434_100000212012 [0,1,0,0,0,1|2,0,0]=4 2343 B13R1.202 CN(C)C(=O)Cc1ccccc1F 1626a_100102631434_100000212012 [0,1,0,0,0,1|2,0,0]=4 2344 B13R1.202 CN(C)C(=O)Cc1ccccc1F 240690a_100102631434_100000212012 [0,1,0,0,0,1|2,0,0]=4 2345 B13R1.202 CN(C)C(=O)Cc1ccccc1F 527a_100102631434_100000212012 [0,1,0,0,0,1|2,0,0]=4 2346 B13R1.202 CN(C)C(=O)Cc1ccccc1I 11a_100102631434_100000036491 [0,1,0,0,0,1|2,0,0]=4 2347 B13R1.202 CN(C)C(=O)Cc1ccccc1I 1626a_100102631434_100000036491 [0,1,0,0,0,1|2,0,0]=4 2348 B13R1.202 CN(C)C(=O)Cc1ccccc1I 240690a_100102631434_100000036491 [0,1,0,0,0,1|2,0,0]=4 2349 B13R1.202 CN(C)C(=O)Cc1ccccc1I 527a_100102631434_100000036491 [0,1,0,0,0,1|2,0,0]=4 2350 B13R1.202 CN(C)C(=O)Cc1ccccc1O 240690a_100102631434_100000743006 [0,1,0,0,0,1|1,0,0]=3 2351 B13R1.202 CN(C)C(=O)Cc1ccccc1O 271570a_203496583355_200009816159 [0,1,0,0,0,1|1,0,0]=3 2352 B13R1.202 CN(C)C(=O)Cc1ccccc1O 527a_100102631434_100000743006 [0,1,0,0,0,1|1,0,0]=3 2353 B13R1.202 CN(C)C(=O)Nc1ccccc1Br 2430a_100000210017_100102631434 [0,1,0,0,0,1|2,0,0]=4 2354 B13R1.202 CN(C)C(=O)Nc1ccccc1Cl 2430a_100000185783_100102631434 [0,1,0,0,0,1|2,0,0]=4 2355 B13R1.202 CN(C)C(=O)Nc1ccccc1F 2430a_100000210422_100102631434 [0,1,0,0,0,1|2,0,0]=4 2356 B13R1.202 CN(C)C(=O)Nc1ccccc1I 2430a_100000210053_100102631434 [0,1,0,0,0,1|2,0,0]=4 2357 B13R1.202 CN(C)C(=O)Nc1ccccc1O 2430a_100000185747_100102631434 [0,1,0,0,0,1|1,0,0]=3 2358 B13R1.202 C[C@@H](O)C(=O)Cc1ccccc1Br 1458a_100000717761_100000184730 [0,1,0,0,0,1|2,0,0]=4 2359 B13R1.202 C[C@@H](O)C(=O)Cc1ccccc1Cl 1458a_100000717761_100000187162 [0,1,0,0,0,1|2,0,0]=4 2360 B13R1.202 C[C@@H](O)C(=O)Cc1ccccc1F 1458a_100000717761_100000187165 [0,1,0,0,0,1|2,0,0]=4 2361 B13R1.202 C[C@@H](O)C(=O)Cc1ccccc1I 1458a_100000717761_100011216222 [0,1,0,0,0,1|2,0,0]=4 2362 B13R1.202 C[C@@H](O)C(=O)Cc1ncccc1O 1458a_100000717761_200020655725 [0,1,0,0,0,1|2,0,0]=4 2363 B13R1.202 C[C@@H](O)C(=O)Nc1ccccc1Cl 22a_100000185783_100000717761 [0,1,0,0,0,1|2,0,0]=4 2364 B13R1.202 C[C@@H](O)C(=O)Nc1ccccc1F 22a_100000210422_100000717761 [0,1,0,0,0,1|2,0,0]=4 2365 B13R1.202 C[C@@H](O)C(=O)Nc1ccccc1O 22a_100000185747_100000717761 [0,1,0,0,0,1|1,0,0]=3 2366 B13R1.202 C[C@H](O)C(=O)Cc1ccccc1Br 1458a_217856618621_100000184730 [0,1,0,0,0,1|2,0,0]=4 2367 B13R1.202 C[C@H](O)C(=O)Cc1ccccc1Cl 1458a_217856618621_100000187162 [0,1,0,0,0,1|2,0,0]=4 2368 B13R1.202 C[C@H](O)C(=O)Cc1ccccc1F 1458a_217856618621_100000187165 [0,1,0,0,0,1|2,0,0]=4 2369 B13R1.202 C[C@H](O)C(=O)Cc1ccccc1I 1458a_217856618621_100011216222 [0,1,0,0,0,1|2,0,0]=4 2370 B13R1.202 C[C@H](O)C(=O)Cc1ncccc1O 1458a_217856618621_200020655725 [0,1,0,0,0,1|2,0,0]=4 2371 B13R1.202 C[C@H](O)C(=O)Nc1ccccc1Br 1626a_100000210017_217856618621 [0,1,0,0,0,1|2,0,0]=4 2372 B13R1.202 C[C@H](O)C(=O)Nc1ccccc1Cl 1626a_100000185783_217856618621 [0,1,0,0,0,1|2,0,0]=4 2373 B13R1.202 C[C@H](O)C(=O)Nc1ccccc1Cl 22a_100000185783_217856618621 [0,1,0,0,0,1|2,0,0]=4 2374 B13R1.202 C[C@H](O)C(=O)Nc1ccccc1F 1626a_100000210422_217856618621 [0,1,0,0,0,1|2,0,0]=4 2375 B13R1.202 C[C@H](O)C(=O)Nc1ccccc1F 22a_100000210422_217856618621 [0,1,0,0,0,1|2,0,0]=4 2376 B13R1.202 C[C@H](O)C(=O)Nc1ccccc1I 1626a_100000210053_217856618621 [0,1,0,0,0,1|2,0,0]=4 2377 B13R1.202 C[C@H](O)C(=O)Nc1ccccc1O 22a_100000185747_217856618621 [0,1,0,0,0,1|1,0,0]=3 2378 B13R1.202 Cc1ccccc1CC(=O)C(O)O 1458a_100000233687_100000211839 [0,1,0,0,0,1|2,0,0]=4 2379 B13R1.202 Cc1ccccc1CC(=O)N(C)C 11a_100102631434_100000212180 [0,1,0,0,0,1|2,0,0]=4 2380 B13R1.202 Cc1ccccc1CC(=O)N(C)C 1626a_100102631434_100000212180 [0,1,0,0,0,1|2,0,0]=4 2381 B13R1.202 Cc1ccccc1CC(=O)N(C)C 240690a_100102631434_100000212180 [0,1,0,0,0,1|2,0,0]=4 2382 B13R1.202 Cc1ccccc1CC(=O)N(C)C 527a_100102631434_100000212180 [0,1,0,0,0,1|2,0,0]=4 2383 B13R1.202 Cc1ccccc1CC(=O)[C@@H](C)O 1458a_100000717761_100000211839 [0,1,0,0,0,1|2,0,0]=4 2384 B13R1.202 Cc1ccccc1CC(=O)[C@H](C)O 1458a_217856618621_100000211839 [0,1,0,0,0,1|2,0,0]=4 2385 B13R1.202 Cc1ccccc1NC(=O)C(O)O 22a_100015192222_100000233687 [0,1,0,0,0,1|2,0,0]=4 2386 B13R1.202 Cc1ccccc1NC(=O)N(C)C 2430a_100015192222_100102631434 [0,1,0,0,0,1|2,0,0]=4 2387 B13R1.202 Cc1ccccc1NC(=O)[C@@H](C)O 22a_100015192222_100000717761 [0,1,0,0,0,1|2,0,0]=4 2388 B13R1.202 Cc1ccccc1NC(=O)[C@H](C)O 1626a_100015192222_217856618621 [0,1,0,0,0,1|2,0,0]=4 2389 B13R1.202 Cc1ccccc1NC(=O)[C@H](C)O 22a_100015192222_217856618621 [0,1,0,0,0,1|2,0,0]=4 2390 B13R1.202 NC(=O)C(=O)Nc1ccccc1O 22a_100000185747_100011215815 [0,1,0,0,0,1|1,0,1]=4 2391 B13R1.202 O=C(Cc1ccccc1Br)C(O)O 1458a_100000233687_100000184730 [0,1,0,0,0,1|2,0,0]=4 2392 B13R1.202 O=C(Cc1ccccc1Cl)C(O)O 1458a_100000233687_100000187162 [0,1,0,0,0,1|2,0,0]=4 2393 B13R1.202 O=C(Cc1ccccc1F)C(O)O 1458a_100000233687_100000187165 [0,1,0,0,0,1|2,0,0]=4 2394 B13R1.202 O=C(Cc1ccccc1I)C(O)O 1458a_100000233687_100011216222 [0,1,0,0,0,1|2,0,0]=4 2395 B13R1.202 O=C(Cc1ncccc1O)C(O)O 1458a_100000233687_200020655725 [0,1,0,0,0,1|2,0,0]=4 2396 B13R1.202 O=C(Nc1ccccc1Cl)C(O)O 22a_100000185783_100000233687 [0,1,0,0,0,1|2,0,0]=4 2397 B13R1.202 O=C(Nc1ccccc1F)C(O)O 22a_100000210422_100000233687 [0,1,0,0,0,1|2,0,0]=4 2398 B13R1.202 O=C(Nc1ccccc1O)C(F)F 22a_100000185747_100000210393 [0,1,0,0,0,1|2,0,0]=4 2399 B13R1.202 O=C(Nc1ccccc1O)C(F)F 527a_100000185747_100000210393 [0,1,0,0,0,1|2,0,0]=4 2400 B13R1.202 O=C(Nc1ccccc1O)C(O)O 22a_100000185747_100000233687 [0,1,0,0,0,1|1,0,0]=3 2401 B13R1.470 C#CCC(=O)Cc1ccccc1O 1458a_100000743006_100000184674 [0,1,0,0,0,1|2,0,0]=4 2402 B13R1.470 C#CCC(=O)Nc1ccccc1O 527a_100000185747_100011220946 [0,1,0,0,0,1|2,0,0]=4 2403 B13R1.470 C=CCC(=O)Cc1ccccc1O 1458a_100000743006_100000210623 [0,1,0,0,0,1|2,0,0]=4 2404 B13R1.470 C=CCC(=O)Nc1ccccc1O 22a_100000185747_100000210193 [0,1,0,0,0,1|2,0,0]=4 2405 B13R1.470 C=CCC(=O)Nc1ccccc1O 527a_100000185747_100000210193 [0,1,0,0,0,1|2,0,0]=4 2406 B13R1.470 CC#CC(=O)Nc1ccccc1O 22a_100000185747_100000763181 [0,1,0,0,0,1|2,0,0]=4 2407 B13R1.470 CC=CC(=O)Nc1ccccc1O 22a_100000185747_100000210699 [0,1,0,0,0,1|2,0,0]=4 2408 B13R1.470 CCCC(=O)Cc1ccccc1O 1458a_100000743006_100000210303 [0,1,0,0,0,1|2,0,0]=4 2409 B13R1.470 CCCC(=O)Nc1ccccc1O 22a_100000185747_100000211992 [0,1,0,0,0,1|2,0,0]=4 2410 B13R1.470 CCCC(=O)Nc1ccccc1O 271570a_203496583355_100000153530 [0,1,0,0,0,1|2,0,0]=4 2411 B13R1.470 CCCC(=O)Nc1ccccc1O 527a_100000185747_100000211992 [0,1,0,0,0,1|2,0,0]=4 2412 B13R1.470 CCNC(=O)Cc1ccccc1Br 11a_100015525214_100000751119 [0,1,0,0,0,1|2,0,0]=4 2413 B13R1.470 CCNC(=O)Cc1ccccc1Br 240690a_100015525214_100000751119 [0,1,0,0,0,1|2,0,0]=4 2414 B13R1.470 CCNC(=O)Cc1ccccc1Br 527a_100015525214_100000751119 [0,1,0,0,0,1|2,0,0]=4 2415 B13R1.470 CCNC(=O)Cc1ccccc1C 11a_100015525214_100000212180 [0,1,0,0,0,1|2,0,0]=4 2416 B13R1.470 CCNC(=O)Cc1ccccc1C 240690a_100015525214_100000212180 [0,1,0,0,0,1|2,0,0]=4 2417 B13R1.470 CCNC(=O)Cc1ccccc1C 527a_100015525214_100000212180 [0,1,0,0,0,1|2,0,0]=4 2418 B13R1.470 CCNC(=O)Cc1ccccc1Cl 11a_100015525214_100000183793 [0,1,0,0,0,1|2,0,0]=4 2419 B13R1.470 CCNC(=O)Cc1ccccc1Cl 240690a_100015525214_100000183793 [0,1,0,0,0,1|2,0,0]=4 2420 B13R1.470 CCNC(=O)Cc1ccccc1Cl 527a_100015525214_100000183793 [0,1,0,0,0,1|2,0,0]=4 2421 B13R1.470 CCNC(=O)Cc1ccccc1F 11a_100015525214_100000212012 [0,1,0,0,0,1|2,0,0]=4 2422 B13R1.470 CCNC(=O)Cc1ccccc1F 240690a_100015525214_100000212012 [0,1,0,0,0,1|2,0,0]=4 2423 B13R1.470 CCNC(=O)Cc1ccccc1F 527a_100015525214_100000212012 [0,1,0,0,0,1|2,0,0]=4 2424 B13R1.470 CCNC(=O)Cc1ccccc1I 11a_100015525214_100000036491 [0,1,0,0,0,1|2,0,0]=4 2425 B13R1.470 CCNC(=O)Cc1ccccc1I 240690a_100015525214_100000036491 [0,1,0,0,0,1|2,0,0]=4 2426 B13R1.470 CCNC(=O)Cc1ccccc1I 527a_100015525214_100000036491 [0,1,0,0,0,1|2,0,0]=4 2427 B13R1.470 CCNC(=O)Cc1ccccc1O 240690a_100015525214_100000743006 [0,1,0,0,0,1|1,0,0]=3 2428 B13R1.470 CCNC(=O)Cc1ccccc1O 271570a_203496583355_200009816148 [0,1,0,0,0,1|1,0,0]=3 2429 B13R1.470 CCNC(=O)Cc1ccccc1O 527a_100015525214_100000743006 [0,1,0,0,0,1|1,0,0]=3 2430 B13R1.470 CCNC(=O)Nc1ccccc1Br 2430a_100000210017_100015525214 [0,1,0,0,0,1|2,0,0]=4 2431 B13R1.470 CCNC(=O)Nc1ccccc1C 2430a_100015192222_100015525214 [0,1,0,0,0,1|2,0,0]=4 2432 B13R1.470 CCNC(=O)Nc1ccccc1Cl 2430a_100000185783_100015525214 [0,1,0,0,0,1|2,0,0]=4 2433 B13R1.470 CCNC(=O)Nc1ccccc1F 2430a_100000210422_100015525214 [0,1,0,0,0,1|2,0,0]=4 2434 B13R1.470 CCNC(=O)Nc1ccccc1I 2430a_100000210053_100015525214 [0,1,0,0,0,1|2,0,0]=4 2435 B13R1.470 CCNC(=O)Nc1ccccc1O 2430a_100000185747_100015525214 [0,1,0,0,0,1|1,0,0]=3 2436 B13R1.470 CCOC(=O)Cc1ccccc1O 271570a_203496583355_100011218996 [0,1,0,0,0,1|2,0,0]=4 2437 B13R1.470 CNCC(=O)Cc1ccccc1Br 2230a_106832991635_100000700504 [0,1,0,0,0,1|2,0,0]=4 2438 B13R1.470 CNCC(=O)Cc1ccccc1Br 34a_100102657272_100000700504 [0,1,0,0,0,1|2,0,0]=4 2439 B13R1.470 CNCC(=O)Cc1ccccc1Br 7a_106832991635_100000700504 [0,1,0,0,0,1|2,0,0]=4 2440 B13R1.470 CNCC(=O)Cc1ccccc1C 2230a_106832991635_100011223134 [0,1,0,0,0,1|2,0,0]=4 2441 B13R1.470 CNCC(=O)Cc1ccccc1C 7a_106832991635_100011223134 [0,1,0,0,0,1|2,0,0]=4 2442 B13R1.470 CNCC(=O)Nc1ccccc1Br 2230a_100000683505_200000210301 [0,1,0,0,0,1|2,0,0]=4 2443 B13R1.470 CNCC(=O)Nc1ccccc1Br 2230a_106832991635_100000182372 [0,1,0,0,0,1|2,0,0]=4 2444 B13R1.470 CNCC(=O)Nc1ccccc1Br 7a_106832991635_100000182372 [0,1,0,0,0,1|2,0,0]=4 2445 B13R1.470 CNCC(=O)Nc1ccccc1C 2230a_100015186652_200000210301 [0,1,0,0,0,1|2,0,0]=4 2446 B13R1.470 CNCC(=O)Nc1ccccc1C 2230a_106832991635_100000183529 [0,1,0,0,0,1|2,0,0]=4 2447 B13R1.470 CNCC(=O)Nc1ccccc1C 34a_100102657272_100000183529 [0,1,0,0,0,1|2,0,0]=4 2448 B13R1.470 CNCC(=O)Nc1ccccc1C 7a_106832991635_100000183529 [0,1,0,0,0,1|2,0,0]=4 2449 B13R1.470 CNCC(=O)Nc1ccccc1Cl 2230a_106832991635_100000182448 [0,1,0,0,0,1|2,0,0]=4 2450 B13R1.470 CNCC(=O)Nc1ccccc1Cl 34a_100102657272_100000182448 [0,1,0,0,0,1|2,0,0]=4 2451 B13R1.470 CNCC(=O)Nc1ccccc1Cl 7a_106832991635_100000182448 [0,1,0,0,0,1|2,0,0]=4 2452 B13R1.470 CNCC(=O)Nc1ccccc1F 2230a_106832991635_100000182988 [0,1,0,0,0,1|2,0,0]=4 2453 B13R1.470 CNCC(=O)Nc1ccccc1F 34a_100102657272_100000243840 [0,1,0,0,0,1|2,0,0]=4 2454 B13R1.470 CNCC(=O)Nc1ccccc1F 7a_106832991635_100000182988 [0,1,0,0,0,1|2,0,0]=4 2455 B13R1.470 CNCC(=O)Nc1ccccc1I 2230a_106832991635_100000180142 [0,1,0,0,0,1|2,0,0]=4 2456 B13R1.470 CNCC(=O)Nc1ccccc1I 34a_100102657272_100000180142 [0,1,0,0,0,1|2,0,0]=4 2457 B13R1.470 CNCC(=O)Nc1ccccc1I 7a_106832991635_100000180142 [0,1,0,0,0,1|2,0,0]=4 2458 B13R1.470 CNCC(=O)Nc1ccccc1O 7a_106832991635_100000014494 [0,1,0,0,0,1|1,0,0]=3 2459 B13R1.470 CNNC(=O)Cc1ccccc1Br 22a_100016993582_100000751119 [0,1,0,0,0,1|2,0,0]=4 2460 B13R1.470 CNNC(=O)Cc1ccccc1C 22a_100016993582_100000212180 [0,1,0,0,0,1|2,0,0]=4 2461 B13R1.470 CNNC(=O)Cc1ccccc1Cl 22a_100016993582_100000183793 [0,1,0,0,0,1|2,0,0]=4 2462 B13R1.470 CNNC(=O)Cc1ccccc1F 22a_100016993582_100000212012 [0,1,0,0,0,1|2,0,0]=4 2463 B13R1.470 CNNC(=O)Cc1ccccc1I 22a_100016993582_100000036491 [0,1,0,0,0,1|2,0,0]=4 2464 B13R1.470 CNNC(=O)Cc1ccccc1O 22a_100016993582_100000743006 [0,1,0,0,0,1|1,0,0]=3 2465 B13R1.470 COCC(=O)Cc1ccccc1Br 1458a_100000210968_100000184730 [0,1,0,0,0,1|2,0,0]=4 2466 B13R1.470 COCC(=O)Cc1ccccc1Br 34a_100138415774_100000700504 [0,1,0,0,0,1|2,0,0]=4 2467 B13R1.470 COCC(=O)Cc1ccccc1C 1458a_100000210968_100000211839 [0,1,0,0,0,1|2,0,0]=4 2468 B13R1.470 COCC(=O)Cc1ccccc1Cl 1458a_100000210968_100000187162 [0,1,0,0,0,1|2,0,0]=4 2469 B13R1.470 COCC(=O)Cc1ccccc1F 1458a_100000210968_100000187165 [0,1,0,0,0,1|2,0,0]=4 2470 B13R1.470 COCC(=O)Cc1ccccc1I 1458a_100000210968_100011216222 [0,1,0,0,0,1|2,0,0]=4 2471 B13R1.470 COCC(=O)Cc1ncccc1O 1458a_100000210968_200020655725 [0,1,0,0,0,1|2,0,0]=4 2472 B13R1.470 COCC(=O)Nc1ccccc1Br 11a_100000210017_100000210968 [0,1,0,0,0,1|2,0,0]=4 2473 B13R1.470 COCC(=O)Nc1ccccc1Br 1626a_100000210017_100000210968 [0,1,0,0,0,1|2,0,0]=4 2474 B13R1.470 COCC(=O)Nc1ccccc1C 11a_100015192222_100000210968 [0,1,0,0,0,1|2,0,0]=4 2475 B13R1.470 COCC(=O)Nc1ccccc1C 1626a_100015192222_100000210968 [0,1,0,0,0,1|2,0,0]=4 2476 B13R1.470 COCC(=O)Nc1ccccc1C 22a_100015192222_100000210968 [0,1,0,0,0,1|2,0,0]=4 2477 B13R1.470 COCC(=O)Nc1ccccc1C 34a_100138415774_100000183529 [0,1,0,0,0,1|2,0,0]=4 2478 B13R1.470 COCC(=O)Nc1ccccc1C 527a_100015192222_100000210968 [0,1,0,0,0,1|2,0,0]=4 2479 B13R1.470 COCC(=O)Nc1ccccc1Cl 11a_100000185783_100000210968 [0,1,0,0,0,1|2,0,0]=4 2480 B13R1.470 COCC(=O)Nc1ccccc1Cl 1626a_100000185783_100000210968 [0,1,0,0,0,1|2,0,0]=4 2481 B13R1.470 COCC(=O)Nc1ccccc1Cl 22a_100000185783_100000210968 [0,1,0,0,0,1|2,0,0]=4 2482 B13R1.470 COCC(=O)Nc1ccccc1Cl 34a_100138415774_100000182448 [0,1,0,0,0,1|2,0,0]=4 2483 B13R1.470 COCC(=O)Nc1ccccc1Cl 527a_100000185783_100000210968 [0,1,0,0,0,1|2,0,0]=4 2484 B13R1.470 COCC(=O)Nc1ccccc1F 11a_100000210422_100000210968 [0,1,0,0,0,1|2,0,0]=4 2485 B13R1.470 COCC(=O)Nc1ccccc1F 1626a_100000210422_100000210968 [0,1,0,0,0,1|2,0,0]=4 2486 B13R1.470 COCC(=O)Nc1ccccc1F 22a_100000210422_100000210968 [0,1,0,0,0,1|2,0,0]=4 2487 B13R1.470 COCC(=O)Nc1ccccc1F 34a_100138415774_100000243840 [0,1,0,0,0,1|2,0,0]=4 2488 B13R1.470 COCC(=O)Nc1ccccc1F 527a_100000210422_100000210968 [0,1,0,0,0,1|2,0,0]=4 2489 B13R1.470 COCC(=O)Nc1ccccc1I 11a_100000210053_100000210968 [0,1,0,0,0,1|2,0,0]=4 2490 B13R1.470 COCC(=O)Nc1ccccc1I 1626a_100000210053_100000210968 [0,1,0,0,0,1|2,0,0]=4 2491 B13R1.470 COCC(=O)Nc1ccccc1I 34a_100138415774_100000180142 [0,1,0,0,0,1|2,0,0]=4 2492 B13R1.470 COCC(=O)Nc1ccccc1O 22a_100000185747_100000210968 [0,1,0,0,0,1|1,0,0]=3 2493 B13R1.470 COCC(=O)Nc1ccccc1O 271570a_203496583355_200000158336 [0,1,0,0,0,1|1,0,0]=3 2494 B13R1.470 COCC(=O)Nc1ccccc1O 527a_100000185747_100000210968 [0,1,0,0,0,1|1,0,0]=3 2495 B13R1.470 CSCC(=O)Nc1ccccc1O 22a_100000185747_100000184570 [0,1,0,0,0,1|1,1,0]=4 2496 B13R1.470 CSCC(=O)Nc1ccccc1O 527a_100000185747_100000184570 [0,1,0,0,0,1|1,1,0]=4 2497 B13R1.470 CSCC(=O)Nc1ccccc1O 62a_200000210301_100000014494 [0,1,0,0,0,1|1,1,0]=4 2498 B13R1.470 Cc1ccccc1CC(=O)CCO 1458a_100000212180_100000211926 [0,1,0,0,0,1|2,0,0]=4 2499 B13R1.470 Cc1ccccc1CC(=O)CCO 1458a_100011216618_100000211839 [0,1,0,0,0,1|2,0,0]=4 2500 B13R1.470 Cc1ccccc1NC(=O)CCO 22a_100015192222_100011216618 [0,1,0,0,0,1|2,0,0]=4 2501 B13R1.470 Cc1ccccc1NC(=O)CN[13CH3] 2230a_100015186652_200025704644 [0,1,0,0,0,1|2,0,0]=4 2502 B13R1.470 N#CCC(=O)Cc1ccccc1O 1458a_100000743006_100011214920 [0,1,0,0,0,1|2,0,0]=4 2503 B13R1.470 N#CCC(=O)Nc1ccccc1O 22a_100000185747_100051588842 [0,1,0,0,0,1|2,0,0]=4 2504 B13R1.470 O=C(CCF)Cc1ccccc1O 1458a_100000743006_100011217306 [0,1,0,0,0,1|2,0,0]=4 2505 B13R1.470 O=C(CCO)Cc1ccccc1Br 1458a_100000751119_100000211926 [0,1,0,0,0,1|2,0,0]=4 2506 B13R1.470 O=C(CCO)Cc1ccccc1Br 1458a_100011216618_100000184730 [0,1,0,0,0,1|2,0,0]=4 2507 B13R1.470 O=C(CCO)Cc1ccccc1Cl 1458a_100000183793_100000211926 [0,1,0,0,0,1|2,0,0]=4 2508 B13R1.470 O=C(CCO)Cc1ccccc1Cl 1458a_100011216618_100000187162 [0,1,0,0,0,1|2,0,0]=4 2509 B13R1.470 O=C(CCO)Cc1ccccc1F 1458a_100000212012_100000211926 [0,1,0,0,0,1|2,0,0]=4 2510 B13R1.470 O=C(CCO)Cc1ccccc1F 1458a_100011216618_100000187165 [0,1,0,0,0,1|2,0,0]=4 2511 B13R1.470 O=C(CCO)Cc1ccccc1I 1458a_100000036491_100000211926 [0,1,0,0,0,1|2,0,0]=4 2512 B13R1.470 O=C(CCO)Cc1ccccc1I 1458a_100011216618_100011216222 [0,1,0,0,0,1|2,0,0]=4 2513 B13R1.470 O=C(CCO)Cc1ccccc1O 1458a_100000743006_100000211926 [0,1,0,0,0,1|1,0,0]=3 2514 B13R1.470 O=C(CCO)Cc1ncccc1O 1458a_100011216618_200020655725 [0,1,0,0,0,1|2,0,0]=4 2515 B13R1.470 O=C(CCO)Nc1ccccc1Cl 22a_100000185783_100011216618 [0,1,0,0,0,1|2,0,0]=4 2516 B13R1.470 O=C(CCO)Nc1ccccc1F 22a_100000210422_100011216618 [0,1,0,0,0,1|2,0,0]=4 2517 B13R1.470 O=C(CCO)Nc1ccccc1O 22a_100000185747_100011216618 [0,1,0,0,0,1|1,0,0]=3 2518 B13R1.470 [13CH3]NCC(=O)Nc1ccccc1Br 2230a_100000683505_200025704644 [0,1,0,0,0,1|2,0,0]=4 2519 B13R1.470 [13CH3]SCC(=O)Nc1ccccc1O 62a_200025704644_100000014494 [0,1,0,0,0,1|1,1,0]=4 2520 B13R1.696 C=CC(=O)N(C)c1ccccc1O 22a_100000033821_100000185746 [0,1,0,0,0,1|2,0,0]=4 2521 B13R1.696 CC(C(=O)CO)c1ccccc1Cl 1458a_100000210174_100000181259 [0,1,0,0,0,1|2,0,0]=4 2522 B13R1.696 CC(C(=O)CO)c1ccccc1F 1458a_100000210174_200000741388 [0,1,0,0,0,1|2,0,0]=4 2523 B13R1.696 CCC(=O)N(C)c1ccccc1O 22a_100000033821_100000210414 [0,1,0,0,0,1|2,0,0]=4 2524 B13R1.696 CCC(=O)N(C)c1ccccc1O 527a_100000033821_100000210414 [0,1,0,0,0,1|2,0,0]=4 2525 B13R1.696 CN(C(=O)CO)c1ccccc1F 22a_100000220357_100000210174 [0,1,0,0,0,1|2,0,0]=4 2526 B13R1.696 CN(C(=O)CO)c1ccccc1O 22a_100000033821_100000210174 [0,1,0,0,0,1|1,0,0]=3 2527 B13R1.696 CN(C(=O)CO)c1ccccc1O 527a_100000033821_100000210174 [0,1,0,0,0,1|1,0,0]=3 2528 B13R1.696 CNC(=O)C(C)c1ccccc1Br 11a_106832991635_100012359601 [0,1,0,0,0,1|2,0,0]=4 2529 B13R1.696 CNC(=O)C(C)c1ccccc1Br 1626a_100102657272_100012359601 [0,1,0,0,0,1|2,0,0]=4 2530 B13R1.696 CNC(=O)C(C)c1ccccc1Br 240690a_100102657272_100012359601 [0,1,0,0,0,1|2,0,0]=4 2531 B13R1.696 CNC(=O)C(C)c1ccccc1Br 527a_100102657272_100012359601 [0,1,0,0,0,1|2,0,0]=4 2532 B13R1.696 CNC(=O)C(C)c1ccccc1Cl 11a_106832991635_100011667492 [0,1,0,0,0,1|2,0,0]=4 2533 B13R1.696 CNC(=O)C(C)c1ccccc1Cl 1626a_100102657272_100011667492 [0,1,0,0,0,1|2,0,0]=4 2534 B13R1.696 CNC(=O)C(C)c1ccccc1Cl 240690a_100102657272_100011667492 [0,1,0,0,0,1|2,0,0]=4 2535 B13R1.696 CNC(=O)C(C)c1ccccc1Cl 527a_100102657272_100011667492 [0,1,0,0,0,1|2,0,0]=4 2536 B13R1.696 CNC(=O)C(O)c1ccccc1Br 240690a_100102657272_200011356456 [0,1,0,0,0,1|2,0,0]=4 2537 B13R1.696 CNC(=O)C(O)c1ccccc1Cl 240690a_100102657272_100011217820 [0,1,0,0,0,1|2,0,0]=4 2538 B13R1.696 CNC(=O)C(O)c1ccccc1F 240690a_100102657272_100011219519 [0,1,0,0,0,1|2,0,0]=4 2539 B13R1.696 CNC(=O)N(C)c1ccccc1Br 512a_106832991638_100020606079 [0,1,0,0,0,1|2,0,0]=4 2540 B13R1.696 CNC(=O)N(C)c1ccccc1C 512a_106832991638_100000219699 [0,1,0,0,0,1|2,0,0]=4 2541 B13R1.696 CNC(=O)N(C)c1ccccc1Cl 512a_106832991638_100000219374 [0,1,0,0,0,1|2,0,0]=4 2542 B13R1.696 COC(=O)C(=O)c1ccccc1O 271570a_203496583355_200010133017 [0,1,0,0,0,1|2,0,0]=4 2543 B13R1.696 COC(=O)C(O)c1ccccc1O 271570a_203496583355_200011625927 [0,1,0,0,0,1|2,0,0]=4 2544 B13R1.696 Cc1ccccc1N(C)C(=O)CO 22a_100000219699_100000210174 [0,1,0,0,0,1|2,0,0]=4 2545 B13R1.2679 C=CC(=O)Nc1ccc(cc1O)Br 22a_100000739049_100000185746 [0,1,0,0,0,1|2,0,0]=4 2546 B13R1.2679 C=CC(=O)Nc1ccc(cc1O)C 22a_100000211527_100000185746 [0,1,0,0,0,1|2,0,0]=4 2547 B13R1.2679 C=CC(=O)Nc1ccc(cc1O)Cl 22a_100000185728_100000185746 [0,1,0,0,0,1|2,0,0]=4 2548 B13R1.2679 C=CC(=O)Nc1ccc(cc1O)F 22a_100000753323_100000185746 [0,1,0,0,0,1|2,0,0]=4 2549 B13R1.2679 C=CC(=O)Nc1ccc(cc1O)I 22a_100000057187_100000185746 [0,1,0,0,0,1|2,0,0]=4 2550 B13R1.2679 C=CC(=O)Nc1ccc(cc1O)O 22a_100000106777_100000185746 [0,1,0,0,0,1|2,0,0]=4 2551 B13R1.2679 CCC(=O)Cc1ccc(cc1O)Br 1458a_100000707504_100000210202 [0,1,0,0,0,1|2,0,0]=4 2552 B13R1.2679 CCC(=O)Nc1ccc(cc1O)Br 22a_100000739049_100000210414 [0,1,0,0,0,1|2,0,0]=4 2553 B13R1.2679 CCC(=O)Nc1ccc(cc1O)Br 527a_100000739049_100000210414 [0,1,0,0,0,1|2,0,0]=4 2554 B13R1.2679 CCC(=O)Nc1ccc(cc1O)C 22a_100000211527_100000210414 [0,1,0,0,0,1|2,0,0]=4 2555 B13R1.2679 CCC(=O)Nc1ccc(cc1O)C 271570a_203496583355_100000152038 [0,1,0,0,0,1|2,0,0]=4 2556 B13R1.2679 CCC(=O)Nc1ccc(cc1O)C 527a_100000211527_100000210414 [0,1,0,0,0,1|2,0,0]=4 2557 B13R1.2679 CCC(=O)Nc1ccc(cc1O)Cl 22a_100000185728_100000210414 [0,1,0,0,0,1|2,0,0]=4 2558 B13R1.2679 CCC(=O)Nc1ccc(cc1O)Cl 527a_100000185728_100000210414 [0,1,0,0,0,1|2,0,0]=4 2559 B13R1.2679 CCC(=O)Nc1ccc(cc1O)F 22a_100000753323_100000210414 [0,1,0,0,0,1|2,0,0]=4 2560 B13R1.2679 CCC(=O)Nc1ccc(cc1O)F 527a_100000753323_100000210414 [0,1,0,0,0,1|2,0,0]=4 2561 B13R1.2679 CCC(=O)Nc1ccc(cc1O)I 22a_100000057187_100000210414 [0,1,0,0,0,1|2,0,0]=4 2562 B13R1.2679 CCC(=O)Nc1ccc(cc1O)I 527a_100000057187_100000210414 [0,1,0,0,0,1|2,0,0]=4 2563 B13R1.2679 CCC(=O)Nc1ccc(cc1O)O 22a_100000106777_100000210414 [0,1,0,0,0,1|2,0,0]=4 2564 B13R1.2679 CCC(=O)Nc1ccc(cc1O)O 527a_100000106777_100000210414 [0,1,0,0,0,1|2,0,0]=4 2565 B13R1.2679 CNC(=O)Cc1ccc(cc1Br)Br 11a_106832991635_100010172832 [0,1,0,0,0,1|2,0,0]=4 2566 B13R1.2679 CNC(=O)Cc1ccc(cc1Br)Br 240690a_100102657272_100010172832 [0,1,0,0,0,1|2,0,0]=4 2567 B13R1.2679 CNC(=O)Cc1ccc(cc1Br)Br 527a_100102657272_100010172832 [0,1,0,0,0,1|2,0,0]=4 2568 B13R1.2679 CNC(=O)Cc1ccc(cc1Br)Cl 11a_106832991635_100000755479 [0,1,0,0,0,1|2,0,0]=4 2569 B13R1.2679 CNC(=O)Cc1ccc(cc1Br)Cl 1626a_100102657272_100000755479 [0,1,0,0,0,1|2,0,0]=4 2570 B13R1.2679 CNC(=O)Cc1ccc(cc1Br)Cl 240690a_100102657272_100000755479 [0,1,0,0,0,1|2,0,0]=4 2571 B13R1.2679 CNC(=O)Cc1ccc(cc1Br)Cl 527a_100102657272_100000755479 [0,1,0,0,0,1|2,0,0]=4 2572 B13R1.2679 CNC(=O)Cc1ccc(cc1Br)F 11a_106832991635_100000708238 [0,1,0,0,0,1|2,0,0]=4 2573 B13R1.2679 CNC(=O)Cc1ccc(cc1Br)F 1626a_100102657272_100000708238 [0,1,0,0,0,1|2,0,0]=4 2574 B13R1.2679 CNC(=O)Cc1ccc(cc1Br)F 240690a_100102657272_100000708238 [0,1,0,0,0,1|2,0,0]=4 2575 B13R1.2679 CNC(=O)Cc1ccc(cc1Br)F 527a_100102657272_100000708238 [0,1,0,0,0,1|2,0,0]=4 2576 B13R1.2679 CNC(=O)Cc1ccc(cc1Br)O 240690a_100102657272_100010176083 [0,1,0,0,0,1|2,0,0]=4 2577 B13R1.2679 CNC(=O)Cc1ccc(cc1Br)O 527a_100102657272_100010176083 [0,1,0,0,0,1|2,0,0]=4 2578 B13R1.2679 CNC(=O)Cc1ccc(cc1C)Br 11a_106832991635_100000697930 [0,1,0,0,0,1|2,0,0]=4 2579 B13R1.2679 CNC(=O)Cc1ccc(cc1C)Br 1626a_100102657272_100000697930 [0,1,0,0,0,1|2,0,0]=4 2580 B13R1.2679 CNC(=O)Cc1ccc(cc1C)Br 240690a_100102657272_100000697930 [0,1,0,0,0,1|2,0,0]=4 2581 B13R1.2679 CNC(=O)Cc1ccc(cc1C)Br 527a_100102657272_100000697930 [0,1,0,0,0,1|2,0,0]=4 2582 B13R1.2679 CNC(=O)Cc1ccc(cc1C)C 11a_106832991635_100011236500 [0,1,0,0,0,1|2,0,0]=4 2583 B13R1.2679 CNC(=O)Cc1ccc(cc1C)C 1626a_100102657272_100011236500 [0,1,0,0,0,1|2,0,0]=4 2584 B13R1.2679 CNC(=O)Cc1ccc(cc1C)C 240690a_100102657272_100011236500 [0,1,0,0,0,1|2,0,0]=4 2585 B13R1.2679 CNC(=O)Cc1ccc(cc1C)C 527a_100102657272_100011236500 [0,1,0,0,0,1|2,0,0]=4 2586 B13R1.2679 CNC(=O)Cc1ccc(cc1C)F 11a_106832991635_100011667441 [0,1,0,0,0,1|2,0,0]=4 2587 B13R1.2679 CNC(=O)Cc1ccc(cc1C)F 1626a_100102657272_100011667441 [0,1,0,0,0,1|2,0,0]=4 2588 B13R1.2679 CNC(=O)Cc1ccc(cc1C)F 240690a_100102657272_100011667441 [0,1,0,0,0,1|2,0,0]=4 2589 B13R1.2679 CNC(=O)Cc1ccc(cc1C)F 527a_100102657272_100011667441 [0,1,0,0,0,1|2,0,0]=4 2590 B13R1.2679 CNC(=O)Cc1ccc(cc1Cl)Br 11a_106832991635_100012361378 [0,1,0,0,0,1|2,0,0]=4 2591 B13R1.2679 CNC(=O)Cc1ccc(cc1Cl)Br 1626a_100102657272_100012361378 [0,1,0,0,0,1|2,0,0]=4 2592 B13R1.2679 CNC(=O)Cc1ccc(cc1Cl)Br 240690a_100102657272_100012361378 [0,1,0,0,0,1|2,0,0]=4 2593 B13R1.2679 CNC(=O)Cc1ccc(cc1Cl)Br 527a_100102657272_100012361378 [0,1,0,0,0,1|2,0,0]=4 2594 B13R1.2679 CNC(=O)Cc1ccc(cc1Cl)Cl 11a_106832991635_100000210926 [0,1,0,0,0,1|2,0,0]=4 2595 B13R1.2679 CNC(=O)Cc1ccc(cc1Cl)Cl 1626a_100102657272_100000210926 [0,1,0,0,0,1|2,0,0]=4 2596 B13R1.2679 CNC(=O)Cc1ccc(cc1Cl)Cl 240690a_100102657272_100000210926 [0,1,0,0,0,1|2,0,0]=4 2597 B13R1.2679 CNC(=O)Cc1ccc(cc1Cl)Cl 527a_100102657272_100000210926 [0,1,0,0,0,1|2,0,0]=4 2598 B13R1.2679 CNC(=O)Cc1ccc(cc1Cl)F 11a_106832991635_100000690284 [0,1,0,0,0,1|2,0,0]=4 2599 B13R1.2679 CNC(=O)Cc1ccc(cc1Cl)F 1626a_100102657272_100000690284 [0,1,0,0,0,1|2,0,0]=4 2600 B13R1.2679 CNC(=O)Cc1ccc(cc1Cl)F 240690a_100102657272_100000690284 [0,1,0,0,0,1|2,0,0]=4 2601 B13R1.2679 CNC(=O)Cc1ccc(cc1Cl)F 527a_100102657272_100000690284 [0,1,0,0,0,1|2,0,0]=4 2602 B13R1.2679 CNC(=O)Cc1ccc(cc1F)Br 11a_106832991635_100011295475 [0,1,0,0,0,1|2,0,0]=4 2603 B13R1.2679 CNC(=O)Cc1ccc(cc1F)Br 1626a_100102657272_100011295475 [0,1,0,0,0,1|2,0,0]=4 2604 B13R1.2679 CNC(=O)Cc1ccc(cc1F)Br 240690a_100102657272_100011295475 [0,1,0,0,0,1|2,0,0]=4 2605 B13R1.2679 CNC(=O)Cc1ccc(cc1F)Br 527a_100102657272_100011295475 [0,1,0,0,0,1|2,0,0]=4 2606 B13R1.2679 CNC(=O)Cc1ccc(cc1F)C 11a_106832991635_100000042674 [0,1,0,0,0,1|2,0,0]=4 2607 B13R1.2679 CNC(=O)Cc1ccc(cc1F)C 1626a_100102657272_100000042674 [0,1,0,0,0,1|2,0,0]=4 2608 B13R1.2679 CNC(=O)Cc1ccc(cc1F)C 240690a_100102657272_100000042674 [0,1,0,0,0,1|2,0,0]=4 2609 B13R1.2679 CNC(=O)Cc1ccc(cc1F)C 527a_100102657272_100000042674 [0,1,0,0,0,1|2,0,0]=4 2610 B13R1.2679 CNC(=O)Cc1ccc(cc1F)Cl 11a_106832991635_100011830378 [0,1,0,0,0,1|2,0,0]=4 2611 B13R1.2679 CNC(=O)Cc1ccc(cc1F)Cl 1626a_100102657272_100011830378 [0,1,0,0,0,1|2,0,0]=4 2612 B13R1.2679 CNC(=O)Cc1ccc(cc1F)Cl 240690a_100102657272_100011830378 [0,1,0,0,0,1|2,0,0]=4 2613 B13R1.2679 CNC(=O)Cc1ccc(cc1F)Cl 527a_100102657272_100011830378 [0,1,0,0,0,1|2,0,0]=4 2614 B13R1.2679 CNC(=O)Cc1ccc(cc1F)F 11a_106832991635_100000684719 [0,1,0,0,0,1|2,0,0]=4 2615 B13R1.2679 CNC(=O)Cc1ccc(cc1F)F 1626a_100102657272_100000684719 [0,1,0,0,0,1|2,0,0]=4 2616 B13R1.2679 CNC(=O)Cc1ccc(cc1F)F 240690a_100102657272_100000684719 [0,1,0,0,0,1|2,0,0]=4 2617 B13R1.2679 CNC(=O)Cc1ccc(cc1F)F 527a_100102657272_100000684719 [0,1,0,0,0,1|2,0,0]=4 2618 B13R1.2679 CNC(=O)Cc1ccc(cc1F)I 11a_106832991635_100010149628 [0,1,0,0,0,1|2,0,0]=4 2619 B13R1.2679 CNC(=O)Cc1ccc(cc1F)I 1626a_100102657272_100010149628 [0,1,0,0,0,1|2,0,0]=4 2620 B13R1.2679 CNC(=O)Cc1ccc(cc1F)I 240690a_100102657272_100010149628 [0,1,0,0,0,1|2,0,0]=4 2621 B13R1.2679 CNC(=O)Cc1ccc(cc1F)I 527a_100102657272_100010149628 [0,1,0,0,0,1|2,0,0]=4 2622 B13R1.2679 CNC(=O)Cc1ccc(cc1F)O 240690a_100102657272_100000090534 [0,1,0,0,0,1|2,0,0]=4 2623 B13R1.2679 CNC(=O)Cc1ccc(cc1F)O 527a_100102657272_100000090534 [0,1,0,0,0,1|2,0,0]=4 2624 B13R1.2679 CNC(=O)Cc1ccc(cc1O)Br 240690a_100102657272_100000707504 [0,1,0,0,0,1|1,0,0]=3 2625 B13R1.2679 CNC(=O)Nc1ccc(cc1Br)Br 2430a_100000211012_100102657272 [0,1,0,0,0,1|2,0,0]=4 2626 B13R1.2679 CNC(=O)Nc1ccc(cc1Br)C 2430a_100000210942_100102657272 [0,1,0,0,0,1|2,0,0]=4 2627 B13R1.2679 CNC(=O)Nc1ccc(cc1Br)Cl 2430a_100000752454_100102657272 [0,1,0,0,0,1|2,0,0]=4 2628 B13R1.2679 CNC(=O)Nc1ccc(cc1Br)F 2430a_100000738039_100102657272 [0,1,0,0,0,1|2,0,0]=4 2629 B13R1.2679 CNC(=O)Nc1ccc(cc1Br)I 2430a_100000750455_100102657272 [0,1,0,0,0,1|2,0,0]=4 2630 B13R1.2679 CNC(=O)Nc1ccc(cc1Br)O 2430a_100012001276_100102657272 [0,1,0,0,0,1|2,0,0]=4 2631 B13R1.2679 CNC(=O)Nc1ccc(cc1C)Br 2430a_100000211769_100102657272 [0,1,0,0,0,1|2,0,0]=4 2632 B13R1.2679 CNC(=O)Nc1ccc(cc1C)C 2430a_100000736561_100102657272 [0,1,0,0,0,1|2,0,0]=4 2633 B13R1.2679 CNC(=O)Nc1ccc(cc1C)Cl 2430a_100000210418_100102657272 [0,1,0,0,0,1|2,0,0]=4 2634 B13R1.2679 CNC(=O)Nc1ccc(cc1C)F 2430a_100000211637_100102657272 [0,1,0,0,0,1|2,0,0]=4 2635 B13R1.2679 CNC(=O)Nc1ccc(cc1C)I 2430a_100000184554_100102657272 [0,1,0,0,0,1|2,0,0]=4 2636 B13R1.2679 CNC(=O)Nc1ccc(cc1C)O 2430a_100000756630_100102657272 [0,1,0,0,0,1|2,0,0]=4 2637 B13R1.2679 CNC(=O)Nc1ccc(cc1Cl)Br 2430a_100000211467_100102657272 [0,1,0,0,0,1|2,0,0]=4 2638 B13R1.2679 CNC(=O)Nc1ccc(cc1Cl)C 2430a_100000210522_100102657272 [0,1,0,0,0,1|2,0,0]=4 2639 B13R1.2679 CNC(=O)Nc1ccc(cc1Cl)Cl 2430a_100000185861_100102657272 [0,1,0,0,0,1|2,0,0]=4 2640 B13R1.2679 CNC(=O)Nc1ccc(cc1Cl)F 2430a_100000212003_100102657272 [0,1,0,0,0,1|2,0,0]=4 2641 B13R1.2679 CNC(=O)Nc1ccc(cc1Cl)I 2430a_100011218065_100102657272 [0,1,0,0,0,1|2,0,0]=4 2642 B13R1.2679 CNC(=O)Nc1ccc(cc1Cl)O 2430a_100011215599_100102657272 [0,1,0,0,0,1|2,0,0]=4 2643 B13R1.2679 CNC(=O)Nc1ccc(cc1F)Br 2430a_100000210722_100102657272 [0,1,0,0,0,1|2,0,0]=4 2644 B13R1.2679 CNC(=O)Nc1ccc(cc1F)C 2430a_100000211023_100102657272 [0,1,0,0,0,1|2,0,0]=4 2645 B13R1.2679 CNC(=O)Nc1ccc(cc1F)Cl 2430a_100000211020_100102657272 [0,1,0,0,0,1|2,0,0]=4 2646 B13R1.2679 CNC(=O)Nc1ccc(cc1F)F 2430a_100000210720_100102657272 [0,1,0,0,0,1|2,0,0]=4 2647 B13R1.2679 CNC(=O)Nc1ccc(cc1F)I 2430a_100011215594_100102657272 [0,1,0,0,0,1|2,0,0]=4 2648 B13R1.2679 CNC(=O)Nc1ccc(cc1F)O 2430a_100000759473_100102657272 [0,1,0,0,0,1|2,0,0]=4 2649 B13R1.2679 CNC(=O)Nc1ccc(cc1I)C 2430a_100011356834_100102657272 [0,1,0,0,0,1|2,0,0]=4 2650 B13R1.2679 CNC(=O)Nc1ccc(cc1I)Cl 2430a_100000761889_100102657272 [0,1,0,0,0,1|2,0,0]=4 2651 B13R1.2679 CNC(=O)Nc1ccc(cc1I)F 2430a_100000760547_100102657272 [0,1,0,0,0,1|2,0,0]=4 2652 B13R1.2679 CNC(=O)Nc1ccc(cc1I)I 2430a_100010002754_100102657272 [0,1,0,0,0,1|2,0,0]=4 2653 B13R1.2679 CNC(=O)Nc1ccc(cc1I)I 512a_100010002754_100102657272 [0,1,0,0,0,1|2,0,0]=4 2654 B13R1.2679 CNC(=O)Nc1ccc(cc1I)O 2430a_100010084370_100102657272 [0,1,0,0,0,1|2,0,0]=4 2655 B13R1.2679 CNC(=O)Nc1ccc(cc1O)C 2430a_100000211527_100102657272 [0,1,0,0,0,1|1,0,0]=3 2656 B13R1.2679 CNC(=O)Nc1ccc(cc1O)Cl 2430a_100000185728_100102657272 [0,1,0,0,0,1|1,0,0]=3 2657 B13R1.2679 CNC(=O)Nc1ccc(cc1O)F 2430a_100000753323_100102657272 [0,1,0,0,0,1|1,0,0]=3 2658 B13R1.2679 CNC(=O)Nc1ccc(cc1O)I 2430a_100000057187_100102657272 [0,1,0,0,0,1|1,0,0]=3 2659 B13R1.2679 CNC(=O)Nc1ccc(cc1O)O 2430a_100000106777_100102657272 [0,1,0,0,0,1|1,0,0]=3 2660 B13R1.2679 COC(=O)Cc1ccc(cc1O)F 271570a_203496583355_200012569216 [0,1,0,0,0,1|2,0,0]=4 2661 B13R1.2679 COC(=O)Cc1ccc(cc1O)O 271570a_203496583355_100010150832 [0,1,0,0,0,1|2,0,0]=4 2662 B13R1.2679 COC(=O)Nc1ccc(cc1O)C 271570a_203496583355_100000750523 [0,1,0,0,0,1|2,0,0]=4 2663 B13R1.2679 Cc1cc(ccc1CC(=O)CO)Br 1458a_100000210174_100000708836 [0,1,0,0,0,1|2,0,0]=4 2664 B13R1.2679 Cc1cc(ccc1CC(=O)CO)Cl 1458a_100000210174_100012361307 [0,1,0,0,0,1|2,0,0]=4 2665 B13R1.2679 Cc1cc(ccc1CC(=O)CO)F 1458a_100000210174_100000700533 [0,1,0,0,0,1|2,0,0]=4 2666 B13R1.2679 Cc1cc(ccc1NC(=O)CO)Br 22a_100000211769_100000210174 [0,1,0,0,0,1|2,0,0]=4 2667 B13R1.2679 Cc1cc(ccc1NC(=O)CO)Cl 22a_100000210418_100000210174 [0,1,0,0,0,1|2,0,0]=4 2668 B13R1.2679 Cc1cc(ccc1NC(=O)CO)F 22a_100000211637_100000210174 [0,1,0,0,0,1|2,0,0]=4 2669 B13R1.2679 Cc1cc(ccc1NC(=O)CO)F 527a_100000211637_100000210174 [0,1,0,0,0,1|2,0,0]=4 2670 B13R1.2679 Cc1cc(ccc1NC(=O)CO)I 22a_100000184554_100000210174 [0,1,0,0,0,1|2,0,0]=4 2671 B13R1.2679 Cc1cc(ccc1NC(=O)CO)O 22a_100000756630_100000210174 [0,1,0,0,0,1|2,0,0]=4 2672 B13R1.2679 Cc1cc(ccc1NC(=O)CO)O 527a_100000756630_100000210174 [0,1,0,0,0,1|2,0,0]=4 2673 B13R1.2679 Cc1ccc(c(c1)C)CC(=O)CO 1458a_100000210174_100011219618 [0,1,0,0,0,1|2,0,0]=4 2674 B13R1.2679 Cc1ccc(c(c1)C)NC(=O)CO 22a_100000736561_100000210174 [0,1,0,0,0,1|2,0,0]=4 2675 B13R1.2679 Cc1ccc(c(c1)C)NC(=O)CO 527a_100000736561_100000210174 [0,1,0,0,0,1|2,0,0]=4 2676 B13R1.2679 Cc1ccc(c(c1)Cl)CC(=O)CO 1458a_100000210174_100012349684 [0,1,0,0,0,1|2,0,0]=4 2677 B13R1.2679 Cc1ccc(c(c1)Cl)NC(=O)CO 22a_100000210522_100000210174 [0,1,0,0,0,1|2,0,0]=4 2678 B13R1.2679 Cc1ccc(c(c1)F)CC(=O)CO 1458a_100000210174_100012002367 [0,1,0,0,0,1|2,0,0]=4 2679 B13R1.2679 Cc1ccc(c(c1)F)NC(=O)CO 22a_100000211023_100000210174 [0,1,0,0,0,1|2,0,0]=4 2680 B13R1.2679 Cc1ccc(c(c1)F)NC(=O)CO 527a_100000211023_100000210174 [0,1,0,0,0,1|2,0,0]=4 2681 B13R1.2679 Cc1ccc(c(c1)O)NC(=O)CO 22a_100000211527_100000210174 [0,1,0,0,0,1|1,0,0]=3 2682 B13R1.2679 Cc1ccc(c(c1)O)NC(=O)CO 527a_100000211527_100000210174 [0,1,0,0,0,1|1,0,0]=3 2683 B13R1.2679 O=C(CF)Cc1ccc(cc1O)Br 1458a_100000707504_100015361967 [0,1,0,0,0,1|2,0,0]=4 2684 B13R1.2679 O=C(CO)Cc1ccc(cc1Br)Br 1458a_100000210174_200012351560 [0,1,0,0,0,1|2,0,0]=4 2685 B13R1.2679 O=C(CO)Cc1ccc(cc1Br)Cl 1458a_100000210174_100000755608 [0,1,0,0,0,1|2,0,0]=4 2686 B13R1.2679 O=C(CO)Cc1ccc(cc1Br)F 1458a_100000210174_100000243222 [0,1,0,0,0,1|2,0,0]=4 2687 B13R1.2679 O=C(CO)Cc1ccc(cc1Br)I 1458a_100000210174_100010146610 [0,1,0,0,0,1|2,0,0]=4 2688 B13R1.2679 O=C(CO)Cc1ccc(cc1Cl)Br 1458a_100000210174_100011740631 [0,1,0,0,0,1|2,0,0]=4 2689 B13R1.2679 O=C(CO)Cc1ccc(cc1Cl)Cl 1458a_100000210174_100000188473 [0,1,0,0,0,1|2,0,0]=4 2690 B13R1.2679 O=C(CO)Cc1ccc(cc1Cl)F 1458a_100000210174_100011216360 [0,1,0,0,0,1|2,0,0]=4 2691 B13R1.2679 O=C(CO)Cc1ccc(cc1F)Br 1458a_100000210174_100000211606 [0,1,0,0,0,1|2,0,0]=4 2692 B13R1.2679 O=C(CO)Cc1ccc(cc1F)Cl 1458a_100000210174_100000709361 [0,1,0,0,0,1|2,0,0]=4 2693 B13R1.2679 O=C(CO)Cc1ccc(cc1F)F 1458a_100000210174_100000748237 [0,1,0,0,0,1|2,0,0]=4 2694 B13R1.2679 O=C(CO)Cc1ccc(cc1F)I 1458a_100000210174_100010244991 [0,1,0,0,0,1|2,0,0]=4 2695 B13R1.2679 O=C(CO)Cc1ccc(cc1I)Br 1458a_100000210174_100010146615 [0,1,0,0,0,1|2,0,0]=4 2696 B13R1.2679 O=C(CO)Cc1ccc(cc1I)Cl 1458a_100000210174_100010254388 [0,1,0,0,0,1|2,0,0]=4 2697 B13R1.2679 O=C(CO)Cc1ccc(cc1I)F 1458a_100000210174_100012354799 [0,1,0,0,0,1|2,0,0]=4 2698 B13R1.2679 O=C(CO)Nc1ccc(cc1Br)O 22a_100012001276_100000210174 [0,1,0,0,0,1|2,0,0]=4 2699 B13R1.2679 O=C(CO)Nc1ccc(cc1Br)O 527a_100012001276_100000210174 [0,1,0,0,0,1|2,0,0]=4 2700 B13R1.2679 O=C(CO)Nc1ccc(cc1Cl)Cl 22a_100000185861_100000210174 [0,1,0,0,0,1|2,0,0]=4 2701 B13R1.2679 O=C(CO)Nc1ccc(cc1Cl)F 22a_100000212003_100000210174 [0,1,0,0,0,1|2,0,0]=4 2702 B13R1.2679 O=C(CO)Nc1ccc(cc1Cl)I 22a_100011218065_100000210174 [0,1,0,0,0,1|2,0,0]=4 2703 B13R1.2679 O=C(CO)Nc1ccc(cc1Cl)O 22a_100011215599_100000210174 [0,1,0,0,0,1|2,0,0]=4 2704 B13R1.2679 O=C(CO)Nc1ccc(cc1Cl)O 527a_100011215599_100000210174 [0,1,0,0,0,1|2,0,0]=4 2705 B13R1.2679 O=C(CO)Nc1ccc(cc1F)Br 22a_100000210722_100000210174 [0,1,0,0,0,1|2,0,0]=4 2706 B13R1.2679 O=C(CO)Nc1ccc(cc1F)Cl 22a_100000211020_100000210174 [0,1,0,0,0,1|2,0,0]=4 2707 B13R1.2679 O=C(CO)Nc1ccc(cc1F)F 22a_100000210720_100000210174 [0,1,0,0,0,1|2,0,0]=4 2708 B13R1.2679 O=C(CO)Nc1ccc(cc1F)I 22a_100011215594_100000210174 [0,1,0,0,0,1|2,0,0]=4 2709 B13R1.2679 O=C(CO)Nc1ccc(cc1F)O 22a_100000759473_100000210174 [0,1,0,0,0,1|2,0,0]=4 2710 B13R1.2679 O=C(CO)Nc1ccc(cc1F)O 527a_100000759473_100000210174 [0,1,0,0,0,1|2,0,0]=4 2711 B13R1.2679 O=C(CO)Nc1ccc(cc1I)F 22a_100000760547_100000210174 [0,1,0,0,0,1|2,0,0]=4 2712 B13R1.2679 O=C(CO)Nc1ccc(cc1I)O 22a_100010084370_100000210174 [0,1,0,0,0,1|2,0,0]=4 2713 B13R1.2679 O=C(CO)Nc1ccc(cc1I)O 527a_100010084370_100000210174 [0,1,0,0,0,1|2,0,0]=4 2714 B13R1.2679 O=C(CO)Nc1ccc(cc1O)Br 22a_100000739049_100000210174 [0,1,0,0,0,1|1,0,0]=3 2715 B13R1.2679 O=C(CO)Nc1ccc(cc1O)Br 527a_100000739049_100000210174 [0,1,0,0,0,1|1,0,0]=3 2716 B13R1.2679 O=C(CO)Nc1ccc(cc1O)Cl 22a_100000185728_100000210174 [0,1,0,0,0,1|1,0,0]=3 2717 B13R1.2679 O=C(CO)Nc1ccc(cc1O)Cl 527a_100000185728_100000210174 [0,1,0,0,0,1|1,0,0]=3 2718 B13R1.2679 O=C(CO)Nc1ccc(cc1O)F 22a_100000753323_100000210174 [0,1,0,0,0,1|1,0,0]=3 2719 B13R1.2679 O=C(CO)Nc1ccc(cc1O)F 527a_100000753323_100000210174 [0,1,0,0,0,1|1,0,0]=3 2720 B13R1.2679 O=C(CO)Nc1ccc(cc1O)I 22a_100000057187_100000210174 [0,1,0,0,0,1|1,0,0]=3 2721 B13R1.2679 O=C(CO)Nc1ccc(cc1O)I 527a_100000057187_100000210174 [0,1,0,0,0,1|1,0,0]=3 2722 B13R1.2679 O=C(CO)Nc1ccc(cc1O)O 22a_100000106777_100000210174 [0,1,0,0,0,1|1,0,0]=3 2723 B13R1.2679 O=C(CO)Nc1ccc(cc1O)O 527a_100000106777_100000210174 [0,1,0,0,0,1|1,0,0]=3 2724 B13R1.2872 C#CC(=O)Cc1cc(ccc1O)F 1458a_100000211873_100010161318 [0,1,0,0,0,1|2,0,0]=4 2725 B13R1.2872 C=CC(=O)Cc1cc(ccc1O)F 1458a_100000185746_100010161318 [0,1,0,0,0,1|2,0,0]=4 2726 B13R1.2872 C=CC(=O)Nc1cc(ccc1O)Br 22a_100000752626_100000185746 [0,1,0,0,0,1|2,0,0]=4 2727 B13R1.2872 C=CC(=O)Nc1cc(ccc1O)C 22a_100011215204_100000185746 [0,1,0,0,0,1|2,0,0]=4 2728 B13R1.2872 C=CC(=O)Nc1cc(ccc1O)Cl 22a_100000210500_100000185746 [0,1,0,0,0,1|2,0,0]=4 2729 B13R1.2872 C=CC(=O)Nc1cc(ccc1O)F 22a_100000759472_100000185746 [0,1,0,0,0,1|2,0,0]=4 2730 B13R1.2872 C=CC(=O)Nc1cc(ccc1O)I 22a_100000753495_100000185746 [0,1,0,0,0,1|2,0,0]=4 2731 B13R1.2872 CCC(=O)Cc1cc(ccc1O)Br 1458a_100010072483_100000210202 [0,1,0,0,0,1|2,0,0]=4 2732 B13R1.2872 CCC(=O)Cc1cc(ccc1O)F 1458a_100000210414_100010161318 [0,1,0,0,0,1|2,0,0]=4 2733 B13R1.2872 CCC(=O)Cc1cc(ccc1O)O 1458a_100000038496_100000210202 [0,1,0,0,0,1|2,0,0]=4 2734 B13R1.2872 CCC(=O)Nc1cc(ccc1O)Br 22a_100000752626_100000210414 [0,1,0,0,0,1|2,0,0]=4 2735 B13R1.2872 CCC(=O)Nc1cc(ccc1O)Br 527a_100000752626_100000210414 [0,1,0,0,0,1|2,0,0]=4 2736 B13R1.2872 CCC(=O)Nc1cc(ccc1O)C 22a_100011215204_100000210414 [0,1,0,0,0,1|2,0,0]=4 2737 B13R1.2872 CCC(=O)Nc1cc(ccc1O)C 527a_100011215204_100000210414 [0,1,0,0,0,1|2,0,0]=4 2738 B13R1.2872 CCC(=O)Nc1cc(ccc1O)Cl 22a_100000210500_100000210414 [0,1,0,0,0,1|2,0,0]=4 2739 B13R1.2872 CCC(=O)Nc1cc(ccc1O)Cl 527a_100000210500_100000210414 [0,1,0,0,0,1|2,0,0]=4 2740 B13R1.2872 CCC(=O)Nc1cc(ccc1O)F 22a_100000759472_100000210414 [0,1,0,0,0,1|2,0,0]=4 2741 B13R1.2872 CCC(=O)Nc1cc(ccc1O)F 527a_100000759472_100000210414 [0,1,0,0,0,1|2,0,0]=4 2742 B13R1.2872 CCC(=O)Nc1cc(ccc1O)I 22a_100000753495_100000210414 [0,1,0,0,0,1|2,0,0]=4 2743 B13R1.2872 CCC(=O)Nc1cc(ccc1O)I 527a_100000753495_100000210414 [0,1,0,0,0,1|2,0,0]=4 2744 B13R1.2872 CNC(=O)Cc1cc(ccc1Br)Br 11a_106832991635_100010004897 [0,1,0,0,0,1|2,0,0]=4 2745 B13R1.2872 CNC(=O)Cc1cc(ccc1Br)Br 240690a_100102657272_100010004897 [0,1,0,0,0,1|2,0,0]=4 2746 B13R1.2872 CNC(=O)Cc1cc(ccc1Br)Br 527a_100102657272_100010004897 [0,1,0,0,0,1|2,0,0]=4 2747 B13R1.2872 CNC(=O)Cc1cc(ccc1Br)C 11a_106832991635_100010004923 [0,1,0,0,0,1|2,0,0]=4 2748 B13R1.2872 CNC(=O)Cc1cc(ccc1Br)C 1626a_100102657272_100010004923 [0,1,0,0,0,1|2,0,0]=4 2749 B13R1.2872 CNC(=O)Cc1cc(ccc1Br)C 240690a_100102657272_100010004923 [0,1,0,0,0,1|2,0,0]=4 2750 B13R1.2872 CNC(=O)Cc1cc(ccc1Br)C 527a_100102657272_100010004923 [0,1,0,0,0,1|2,0,0]=4 2751 B13R1.2872 CNC(=O)Cc1cc(ccc1Br)Cl 11a_106832991635_100000690875 [0,1,0,0,0,1|2,0,0]=4 2752 B13R1.2872 CNC(=O)Cc1cc(ccc1Br)Cl 1626a_100102657272_100000690875 [0,1,0,0,0,1|2,0,0]=4 2753 B13R1.2872 CNC(=O)Cc1cc(ccc1Br)Cl 240690a_100102657272_100000690875 [0,1,0,0,0,1|2,0,0]=4 2754 B13R1.2872 CNC(=O)Cc1cc(ccc1Br)Cl 527a_100102657272_100000690875 [0,1,0,0,0,1|2,0,0]=4 2755 B13R1.2872 CNC(=O)Cc1cc(ccc1Br)F 11a_106832991635_100000690878 [0,1,0,0,0,1|2,0,0]=4 2756 B13R1.2872 CNC(=O)Cc1cc(ccc1Br)F 1626a_100102657272_100000690878 [0,1,0,0,0,1|2,0,0]=4 2757 B13R1.2872 CNC(=O)Cc1cc(ccc1Br)F 240690a_100102657272_100000690878 [0,1,0,0,0,1|2,0,0]=4 2758 B13R1.2872 CNC(=O)Cc1cc(ccc1Br)F 527a_100102657272_100000690878 [0,1,0,0,0,1|2,0,0]=4 2759 B13R1.2872 CNC(=O)Cc1cc(ccc1C)Br 11a_106832991635_100010244045 [0,1,0,0,0,1|2,0,0]=4 2760 B13R1.2872 CNC(=O)Cc1cc(ccc1C)Br 1626a_100102657272_100010244045 [0,1,0,0,0,1|2,0,0]=4 2761 B13R1.2872 CNC(=O)Cc1cc(ccc1C)Br 240690a_100102657272_100010244045 [0,1,0,0,0,1|2,0,0]=4 2762 B13R1.2872 CNC(=O)Cc1cc(ccc1C)Br 527a_100102657272_100010244045 [0,1,0,0,0,1|2,0,0]=4 2763 B13R1.2872 CNC(=O)Cc1cc(ccc1C)C 11a_106832991635_100000749331 [0,1,0,0,0,1|2,0,0]=4 2764 B13R1.2872 CNC(=O)Cc1cc(ccc1C)C 1626a_100102657272_100000749331 [0,1,0,0,0,1|2,0,0]=4 2765 B13R1.2872 CNC(=O)Cc1cc(ccc1C)C 240690a_100102657272_100000749331 [0,1,0,0,0,1|2,0,0]=4 2766 B13R1.2872 CNC(=O)Cc1cc(ccc1C)C 527a_100102657272_100000749331 [0,1,0,0,0,1|2,0,0]=4 2767 B13R1.2872 CNC(=O)Cc1cc(ccc1C)F 11a_106832991635_100011219217 [0,1,0,0,0,1|2,0,0]=4 2768 B13R1.2872 CNC(=O)Cc1cc(ccc1C)F 1626a_100102657272_100011219217 [0,1,0,0,0,1|2,0,0]=4 2769 B13R1.2872 CNC(=O)Cc1cc(ccc1C)F 240690a_100102657272_100011219217 [0,1,0,0,0,1|2,0,0]=4 2770 B13R1.2872 CNC(=O)Cc1cc(ccc1C)F 527a_100102657272_100011219217 [0,1,0,0,0,1|2,0,0]=4 2771 B13R1.2872 CNC(=O)Cc1cc(ccc1Cl)Br 11a_106832991635_100011600618 [0,1,0,0,0,1|2,0,0]=4 2772 B13R1.2872 CNC(=O)Cc1cc(ccc1Cl)Br 1626a_100102657272_100011600618 [0,1,0,0,0,1|2,0,0]=4 2773 B13R1.2872 CNC(=O)Cc1cc(ccc1Cl)Br 240690a_100102657272_100011600618 [0,1,0,0,0,1|2,0,0]=4 2774 B13R1.2872 CNC(=O)Cc1cc(ccc1Cl)Br 527a_100102657272_100011600618 [0,1,0,0,0,1|2,0,0]=4 2775 B13R1.2872 CNC(=O)Cc1cc(ccc1Cl)Cl 11a_106832991635_100000748246 [0,1,0,0,0,1|2,0,0]=4 2776 B13R1.2872 CNC(=O)Cc1cc(ccc1Cl)Cl 1626a_100102657272_100000748246 [0,1,0,0,0,1|2,0,0]=4 2777 B13R1.2872 CNC(=O)Cc1cc(ccc1Cl)Cl 240690a_100102657272_100000748246 [0,1,0,0,0,1|2,0,0]=4 2778 B13R1.2872 CNC(=O)Cc1cc(ccc1Cl)Cl 527a_100102657272_100000748246 [0,1,0,0,0,1|2,0,0]=4 2779 B13R1.2872 CNC(=O)Cc1cc(ccc1Cl)F 11a_106832991635_100011830335 [0,1,0,0,0,1|2,0,0]=4 2780 B13R1.2872 CNC(=O)Cc1cc(ccc1Cl)F 1626a_100102657272_100011830335 [0,1,0,0,0,1|2,0,0]=4 2781 B13R1.2872 CNC(=O)Cc1cc(ccc1Cl)F 240690a_100102657272_100011830335 [0,1,0,0,0,1|2,0,0]=4 2782 B13R1.2872 CNC(=O)Cc1cc(ccc1Cl)F 527a_100102657272_100011830335 [0,1,0,0,0,1|2,0,0]=4 2783 B13R1.2872 CNC(=O)Cc1cc(ccc1F)Br 11a_106832991635_100000690877 [0,1,0,0,0,1|2,0,0]=4 2784 B13R1.2872 CNC(=O)Cc1cc(ccc1F)Br 1626a_100102657272_100000690877 [0,1,0,0,0,1|2,0,0]=4 2785 B13R1.2872 CNC(=O)Cc1cc(ccc1F)Br 240690a_100102657272_100000690877 [0,1,0,0,0,1|2,0,0]=4 2786 B13R1.2872 CNC(=O)Cc1cc(ccc1F)Br 527a_100102657272_100000690877 [0,1,0,0,0,1|2,0,0]=4 2787 B13R1.2872 CNC(=O)Cc1cc(ccc1F)C 11a_106832991635_100011667363 [0,1,0,0,0,1|2,0,0]=4 2788 B13R1.2872 CNC(=O)Cc1cc(ccc1F)C 1626a_100102657272_100011667363 [0,1,0,0,0,1|2,0,0]=4 2789 B13R1.2872 CNC(=O)Cc1cc(ccc1F)C 240690a_100102657272_100011667363 [0,1,0,0,0,1|2,0,0]=4 2790 B13R1.2872 CNC(=O)Cc1cc(ccc1F)C 527a_100102657272_100011667363 [0,1,0,0,0,1|2,0,0]=4 2791 B13R1.2872 CNC(=O)Cc1cc(ccc1F)Cl 11a_106832991635_100011217548 [0,1,0,0,0,1|2,0,0]=4 2792 B13R1.2872 CNC(=O)Cc1cc(ccc1F)Cl 1626a_100102657272_100011217548 [0,1,0,0,0,1|2,0,0]=4 2793 B13R1.2872 CNC(=O)Cc1cc(ccc1F)Cl 240690a_100102657272_100011217548 [0,1,0,0,0,1|2,0,0]=4 2794 B13R1.2872 CNC(=O)Cc1cc(ccc1F)Cl 527a_100102657272_100011217548 [0,1,0,0,0,1|2,0,0]=4 2795 B13R1.2872 CNC(=O)Cc1cc(ccc1F)F 11a_106832991635_100000762760 [0,1,0,0,0,1|2,0,0]=4 2796 B13R1.2872 CNC(=O)Cc1cc(ccc1F)F 1626a_100102657272_100000762760 [0,1,0,0,0,1|2,0,0]=4 2797 B13R1.2872 CNC(=O)Cc1cc(ccc1F)F 240690a_100102657272_100000762760 [0,1,0,0,0,1|2,0,0]=4 2798 B13R1.2872 CNC(=O)Cc1cc(ccc1F)F 527a_100102657272_100000762760 [0,1,0,0,0,1|2,0,0]=4 2799 B13R1.2872 CNC(=O)Cc1cc(ccc1O)Br 240690a_100102657272_100010072483 [0,1,0,0,0,1|1,0,0]=3 2800 B13R1.2872 CNC(=O)Nc1cc(ccc1Br)Br 2430a_100000737762_100102657272 [0,1,0,0,0,1|2,0,0]=4 2801 B13R1.2872 CNC(=O)Nc1cc(ccc1Br)C 2430a_100000745044_100102657272 [0,1,0,0,0,1|2,0,0]=4 2802 B13R1.2872 CNC(=O)Nc1cc(ccc1Br)F 2430a_100000687223_100102657272 [0,1,0,0,0,1|2,0,0]=4 2803 B13R1.2872 CNC(=O)Nc1cc(ccc1Br)I 2430a_100000750456_100102657272 [0,1,0,0,0,1|2,0,0]=4 2804 B13R1.2872 CNC(=O)Nc1cc(ccc1Br)I 512a_100000750456_100102657272 [0,1,0,0,0,1|2,0,0]=4 2805 B13R1.2872 CNC(=O)Nc1cc(ccc1Br)O 2430a_100011999798_100102657272 [0,1,0,0,0,1|2,0,0]=4 2806 B13R1.2872 CNC(=O)Nc1cc(ccc1C)Br 2430a_100000741167_100102657272 [0,1,0,0,0,1|2,0,0]=4 2807 B13R1.2872 CNC(=O)Nc1cc(ccc1C)Br 512a_100000741167_100102657272 [0,1,0,0,0,1|2,0,0]=4 2808 B13R1.2872 CNC(=O)Nc1cc(ccc1C)C 2430a_100000185781_100102657272 [0,1,0,0,0,1|2,0,0]=4 2809 B13R1.2872 CNC(=O)Nc1cc(ccc1C)Cl 2430a_100000211374_100102657272 [0,1,0,0,0,1|2,0,0]=4 2810 B13R1.2872 CNC(=O)Nc1cc(ccc1C)F 2430a_100000211107_100102657272 [0,1,0,0,0,1|2,0,0]=4 2811 B13R1.2872 CNC(=O)Nc1cc(ccc1C)I 2430a_100000761890_100102657272 [0,1,0,0,0,1|2,0,0]=4 2812 B13R1.2872 CNC(=O)Nc1cc(ccc1C)I 512a_100000761890_100102657272 [0,1,0,0,0,1|2,0,0]=4 2813 B13R1.2872 CNC(=O)Nc1cc(ccc1C)O 2430a_100011216113_100102657272 [0,1,0,0,0,1|2,0,0]=4 2814 B13R1.2872 CNC(=O)Nc1cc(ccc1Cl)C 2430a_100011215360_100102657272 [0,1,0,0,0,1|2,0,0]=4 2815 B13R1.2872 CNC(=O)Nc1cc(ccc1Cl)Cl 2430a_100000184485_100102657272 [0,1,0,0,0,1|2,0,0]=4 2816 B13R1.2872 CNC(=O)Nc1cc(ccc1Cl)F 2430a_100000751338_100102657272 [0,1,0,0,0,1|2,0,0]=4 2817 B13R1.2872 CNC(=O)Nc1cc(ccc1Cl)I 2430a_200000761891_100102657272 [0,1,0,0,0,1|2,0,0]=4 2818 B13R1.2872 CNC(=O)Nc1cc(ccc1Cl)O 2430a_100011934297_100102657272 [0,1,0,0,0,1|2,0,0]=4 2819 B13R1.2872 CNC(=O)Nc1cc(ccc1F)Br 2430a_100000740924_100102657272 [0,1,0,0,0,1|2,0,0]=4 2820 B13R1.2872 CNC(=O)Nc1cc(ccc1F)Br 512a_100000740924_100102657272 [0,1,0,0,0,1|2,0,0]=4 2821 B13R1.2872 CNC(=O)Nc1cc(ccc1F)C 2430a_100000211285_100102657272 [0,1,0,0,0,1|2,0,0]=4 2822 B13R1.2872 CNC(=O)Nc1cc(ccc1F)Cl 2430a_100000212115_100102657272 [0,1,0,0,0,1|2,0,0]=4 2823 B13R1.2872 CNC(=O)Nc1cc(ccc1F)F 2430a_100000210742_100102657272 [0,1,0,0,0,1|2,0,0]=4 2824 B13R1.2872 CNC(=O)Nc1cc(ccc1F)I 2430a_100011464823_100102657272 [0,1,0,0,0,1|2,0,0]=4 2825 B13R1.2872 CNC(=O)Nc1cc(ccc1F)I 512a_100011464823_100102657272 [0,1,0,0,0,1|2,0,0]=4 2826 B13R1.2872 CNC(=O)Nc1cc(ccc1F)O 2430a_100012017239_100102657272 [0,1,0,0,0,1|2,0,0]=4 2827 B13R1.2872 CNC(=O)Nc1cc(ccc1I)Br 512a_100000743836_100102657272 [0,1,0,0,0,1|2,0,0]=4 2828 B13R1.2872 CNC(=O)Nc1cc(ccc1I)C 2430a_100011216686_100102657272 [0,1,0,0,0,1|2,0,0]=4 2829 B13R1.2872 CNC(=O)Nc1cc(ccc1I)F 2430a_100011218093_100102657272 [0,1,0,0,0,1|2,0,0]=4 2830 B13R1.2872 CNC(=O)Nc1cc(ccc1I)F 512a_100011218093_100102657272 [0,1,0,0,0,1|2,0,0]=4 2831 B13R1.2872 CNC(=O)Nc1cc(ccc1O)Br 2430a_100000752626_100102657272 [0,1,0,0,0,1|1,0,0]=3 2832 B13R1.2872 CNC(=O)Nc1cc(ccc1O)C 2430a_100011215204_100102657272 [0,1,0,0,0,1|1,0,0]=3 2833 B13R1.2872 CNC(=O)Nc1cc(ccc1O)Cl 2430a_100000210500_100102657272 [0,1,0,0,0,1|1,0,0]=3 2834 B13R1.2872 CNC(=O)Nc1cc(ccc1O)F 2430a_100000759472_100102657272 [0,1,0,0,0,1|1,0,0]=3 2835 B13R1.2872 CNC(=O)Nc1cc(ccc1O)I 2430a_100000753495_100102657272 [0,1,0,0,0,1|1,0,0]=3 2836 B13R1.2872 COC(=O)Cc1cc(ccc1O)O 271570a_203496583355_100010185610 [0,1,0,0,0,1|2,0,0]=4 2837 B13R1.2872 Cc1ccc(c(c1)CC(=O)CO)C 1458a_100000210174_100000184699 [0,1,0,0,0,1|2,0,0]=4 2838 B13R1.2872 Cc1ccc(c(c1)CC(=O)CO)Cl 1458a_100000210174_100009871730 [0,1,0,0,0,1|2,0,0]=4 2839 B13R1.2872 Cc1ccc(c(c1)CC(=O)CO)F 1458a_100000210174_100011260760 [0,1,0,0,0,1|2,0,0]=4 2840 B13R1.2872 Cc1ccc(c(c1)NC(=O)CO)C 22a_100000185781_100000210174 [0,1,0,0,0,1|2,0,0]=4 2841 B13R1.2872 Cc1ccc(c(c1)NC(=O)CO)Cl 22a_100011215360_100000210174 [0,1,0,0,0,1|2,0,0]=4 2842 B13R1.2872 Cc1ccc(c(c1)NC(=O)CO)F 22a_100000211285_100000210174 [0,1,0,0,0,1|2,0,0]=4 2843 B13R1.2872 Cc1ccc(c(c1)NC(=O)CO)F 527a_100000211285_100000210174 [0,1,0,0,0,1|2,0,0]=4 2844 B13R1.2872 Cc1ccc(c(c1)NC(=O)CO)O 22a_100011215204_100000210174 [0,1,0,0,0,1|1,0,0]=3 2845 B13R1.2872 Cc1ccc(c(c1)NC(=O)CO)O 527a_100011215204_100000210174 [0,1,0,0,0,1|1,0,0]=3 2846 B13R1.2872 Cc1ccc(c(n1)CC(=O)CO)O 1458a_100000210174_100020630696 [0,1,0,0,0,1|2,0,0]=4 2847 B13R1.2872 Cc1ccc(cc1CC(=O)CO)Cl 1458a_100000210174_100012186985 [0,1,0,0,0,1|2,0,0]=4 2848 B13R1.2872 Cc1ccc(cc1CC(=O)CO)F 1458a_100000210174_100000709795 [0,1,0,0,0,1|2,0,0]=4 2849 B13R1.2872 Cc1ccc(cc1NC(=O)CO)Br 22a_100000741167_100000210174 [0,1,0,0,0,1|2,0,0]=4 2850 B13R1.2872 Cc1ccc(cc1NC(=O)CO)Br 527a_100000741167_100000210174 [0,1,0,0,0,1|2,0,0]=4 2851 B13R1.2872 Cc1ccc(cc1NC(=O)CO)Cl 22a_100000211374_100000210174 [0,1,0,0,0,1|2,0,0]=4 2852 B13R1.2872 Cc1ccc(cc1NC(=O)CO)Cl 527a_100000211374_100000210174 [0,1,0,0,0,1|2,0,0]=4 2853 B13R1.2872 Cc1ccc(cc1NC(=O)CO)F 22a_100000211107_100000210174 [0,1,0,0,0,1|2,0,0]=4 2854 B13R1.2872 Cc1ccc(cc1NC(=O)CO)I 22a_100000761890_100000210174 [0,1,0,0,0,1|2,0,0]=4 2855 B13R1.2872 Cc1ccc(cc1NC(=O)CO)I 527a_100000761890_100000210174 [0,1,0,0,0,1|2,0,0]=4 2856 B13R1.2872 Cc1ccc(cc1NC(=O)CO)O 22a_100011216113_100000210174 [0,1,0,0,0,1|2,0,0]=4 2857 B13R1.2872 Cc1ccc(cc1NC(=O)CO)O 527a_100011216113_100000210174 [0,1,0,0,0,1|2,0,0]=4 2858 B13R1.2872 O=C(CF)Cc1cc(ccc1O)Br 1458a_100010072483_100015361967 [0,1,0,0,0,1|2,0,0]=4 2859 B13R1.2872 O=C(CF)Cc1cc(ccc1O)O 1458a_100000038496_100015361967 [0,1,0,0,0,1|2,0,0]=4 2860 B13R1.2872 O=C(CO)Cc1cc(ccc1Br)Br 1458a_100000210174_100011982794 [0,1,0,0,0,1|2,0,0]=4 2861 B13R1.2872 O=C(CO)Cc1cc(ccc1Br)Cl 1458a_100000210174_100000733903 [0,1,0,0,0,1|2,0,0]=4 2862 B13R1.2872 O=C(CO)Cc1cc(ccc1Br)F 1458a_100000210174_100000736370 [0,1,0,0,0,1|2,0,0]=4 2863 B13R1.2872 O=C(CO)Cc1cc(ccc1Br)I 1458a_100000210174_100012355412 [0,1,0,0,0,1|2,0,0]=4 2864 B13R1.2872 O=C(CO)Cc1cc(ccc1Cl)Br 1458a_100000210174_100000763347 [0,1,0,0,0,1|2,0,0]=4 2865 B13R1.2872 O=C(CO)Cc1cc(ccc1Cl)Cl 1458a_100000210174_100000754809 [0,1,0,0,0,1|2,0,0]=4 2866 B13R1.2872 O=C(CO)Cc1cc(ccc1Cl)F 1458a_100000210174_100000709952 [0,1,0,0,0,1|2,0,0]=4 2867 B13R1.2872 O=C(CO)Cc1cc(ccc1Cl)I 1458a_100000210174_100010188191 [0,1,0,0,0,1|2,0,0]=4 2868 B13R1.2872 O=C(CO)Cc1cc(ccc1F)Br 1458a_100000210174_100000736399 [0,1,0,0,0,1|2,0,0]=4 2869 B13R1.2872 O=C(CO)Cc1cc(ccc1F)Cl 1458a_100000210174_100000716957 [0,1,0,0,0,1|2,0,0]=4 2870 B13R1.2872 O=C(CO)Cc1cc(ccc1F)F 1458a_100000210174_100000741279 [0,1,0,0,0,1|2,0,0]=4 2871 B13R1.2872 O=C(CO)Cc1cc(ccc1F)I 1458a_100000210174_200010149601 [0,1,0,0,0,1|2,0,0]=4 2872 B13R1.2872 O=C(CO)Cc1cc(ccc1I)Br 1458a_100000210174_100012362523 [0,1,0,0,0,1|2,0,0]=4 2873 B13R1.2872 O=C(CO)Cc1cc(ccc1I)Cl 1458a_100000210174_100012348826 [0,1,0,0,0,1|2,0,0]=4 2874 B13R1.2872 O=C(CO)Cc1cc(ccc1I)F 1458a_100000210174_100010149606 [0,1,0,0,0,1|2,0,0]=4 2875 B13R1.2872 O=C(CO)Cc1cc(ccc1O)F 1458a_100000210174_100010161318 [0,1,0,0,0,1|1,0,0]=3 2876 B13R1.2872 O=C(CO)Nc1cc(ccc1Br)O 22a_100011999798_100000210174 [0,1,0,0,0,1|2,0,0]=4 2877 B13R1.2872 O=C(CO)Nc1cc(ccc1Br)O 527a_100011999798_100000210174 [0,1,0,0,0,1|2,0,0]=4 2878 B13R1.2872 O=C(CO)Nc1cc(ccc1Cl)O 527a_100011934297_100000210174 [0,1,0,0,0,1|2,0,0]=4 2879 B13R1.2872 O=C(CO)Nc1cc(ccc1F)Br 22a_100000740924_100000210174 [0,1,0,0,0,1|2,0,0]=4 2880 B13R1.2872 O=C(CO)Nc1cc(ccc1F)F 22a_100000210742_100000210174 [0,1,0,0,0,1|2,0,0]=4 2881 B13R1.2872 O=C(CO)Nc1cc(ccc1F)O 22a_100012017239_100000210174 [0,1,0,0,0,1|2,0,0]=4 2882 B13R1.2872 O=C(CO)Nc1cc(ccc1F)O 527a_100012017239_100000210174 [0,1,0,0,0,1|2,0,0]=4 2883 B13R1.2872 O=C(CO)Nc1cc(ccc1I)Cl 22a_100000761886_100000210174 [0,1,0,0,0,1|2,0,0]=4 2884 B13R1.2872 O=C(CO)Nc1cc(ccc1O)Br 22a_100000752626_100000210174 [0,1,0,0,0,1|1,0,0]=3 2885 B13R1.2872 O=C(CO)Nc1cc(ccc1O)Br 527a_100000752626_100000210174 [0,1,0,0,0,1|1,0,0]=3 2886 B13R1.2872 O=C(CO)Nc1cc(ccc1O)Cl 22a_100000210500_100000210174 [0,1,0,0,0,1|1,0,0]=3 2887 B13R1.2872 O=C(CO)Nc1cc(ccc1O)Cl 527a_100000210500_100000210174 [0,1,0,0,0,1|1,0,0]=3 2888 B13R1.2872 O=C(CO)Nc1cc(ccc1O)F 22a_100000759472_100000210174 [0,1,0,0,0,1|1,0,0]=3 2889 B13R1.2872 O=C(CO)Nc1cc(ccc1O)F 527a_100000759472_100000210174 [0,1,0,0,0,1|1,0,0]=3 2890 B13R1.2872 O=C(CO)Nc1cc(ccc1O)I 22a_100000753495_100000210174 [0,1,0,0,0,1|1,0,0]=3 2891 B13R1.2872 O=C(CO)Nc1cc(ccc1O)I 527a_100000753495_100000210174 [0,1,0,0,0,1|1,0,0]=3 2892 B13R1.4928 C=CC(=O)Nc1c(cccc1Cl)O 22a_100012022510_100000185746 [0,1,0,0,0,1|2,0,0]=4 2893 B13R1.4928 C=CC(=O)Nc1c(cccc1F)O 22a_100020591140_100000185746 [0,1,0,0,0,1|2,0,0]=4 2894 B13R1.4928 C=CC(=O)Nc1c(cccc1I)O 22a_200000049512_100000185746 [0,1,0,0,0,1|2,0,0]=4 2895 B13R1.4928 C=CC(=O)Nc1c(cccc1O)C 22a_100000743429_100000185746 [0,1,0,0,0,1|2,0,0]=4 2896 B13R1.4928 C=CC(=O)Nc1c(cccc1O)O 22a_100011995820_100000185746 [0,1,0,0,0,1|2,0,0]=4 2897 B13R1.4928 CCC(=O)Nc1c(cccc1Br)O 527a_100011934926_100000210414 [0,1,0,0,0,1|2,0,0]=4 2898 B13R1.4928 CCC(=O)Nc1c(cccc1Cl)O 22a_100012022510_100000210414 [0,1,0,0,0,1|2,0,0]=4 2899 B13R1.4928 CCC(=O)Nc1c(cccc1Cl)O 527a_100012022510_100000210414 [0,1,0,0,0,1|2,0,0]=4 2900 B13R1.4928 CCC(=O)Nc1c(cccc1F)O 22a_100020591140_100000210414 [0,1,0,0,0,1|2,0,0]=4 2901 B13R1.4928 CCC(=O)Nc1c(cccc1F)O 527a_100020591140_100000210414 [0,1,0,0,0,1|2,0,0]=4 2902 B13R1.4928 CCC(=O)Nc1c(cccc1I)O 22a_200000049512_100000210414 [0,1,0,0,0,1|2,0,0]=4 2903 B13R1.4928 CCC(=O)Nc1c(cccc1I)O 527a_200000049512_100000210414 [0,1,0,0,0,1|2,0,0]=4 2904 B13R1.4928 CCC(=O)Nc1c(cccc1O)C 22a_100000743429_100000210414 [0,1,0,0,0,1|2,0,0]=4 2905 B13R1.4928 CCC(=O)Nc1c(cccc1O)C 527a_100000743429_100000210414 [0,1,0,0,0,1|2,0,0]=4 2906 B13R1.4928 CCC(=O)Nc1c(cccc1O)O 22a_100011995820_100000210414 [0,1,0,0,0,1|2,0,0]=4 2907 B13R1.4928 CCC(=O)Nc1c(cccc1O)O 527a_100011995820_100000210414 [0,1,0,0,0,1|2,0,0]=4 2908 B13R1.4928 CNC(=O)Cc1c(cccc1Br)Br 11a_106832991635_100010209379 [0,1,0,0,0,1|2,0,0]=4 2909 B13R1.4928 CNC(=O)Cc1c(cccc1Br)Br 240690a_100102657272_100010209379 [0,1,0,0,0,1|2,0,0]=4 2910 B13R1.4928 CNC(=O)Cc1c(cccc1Br)Br 527a_100102657272_100010209379 [0,1,0,0,0,1|2,0,0]=4 2911 B13R1.4928 CNC(=O)Cc1c(cccc1Br)C 11a_106832991635_100010147022 [0,1,0,0,0,1|2,0,0]=4 2912 B13R1.4928 CNC(=O)Cc1c(cccc1Br)C 1626a_100102657272_100010147022 [0,1,0,0,0,1|2,0,0]=4 2913 B13R1.4928 CNC(=O)Cc1c(cccc1Br)C 240690a_100102657272_100010147022 [0,1,0,0,0,1|2,0,0]=4 2914 B13R1.4928 CNC(=O)Cc1c(cccc1Br)C 527a_100102657272_100010147022 [0,1,0,0,0,1|2,0,0]=4 2915 B13R1.4928 CNC(=O)Cc1c(cccc1Br)Cl 11a_106832991635_100013084675 [0,1,0,0,0,1|2,0,0]=4 2916 B13R1.4928 CNC(=O)Cc1c(cccc1Br)Cl 1626a_100102657272_100013084675 [0,1,0,0,0,1|2,0,0]=4 2917 B13R1.4928 CNC(=O)Cc1c(cccc1Br)Cl 240690a_100102657272_100013084675 [0,1,0,0,0,1|2,0,0]=4 2918 B13R1.4928 CNC(=O)Cc1c(cccc1Br)Cl 527a_100102657272_100013084675 [0,1,0,0,0,1|2,0,0]=4 2919 B13R1.4928 CNC(=O)Cc1c(cccc1Br)F 11a_106832991635_100010172741 [0,1,0,0,0,1|2,0,0]=4 2920 B13R1.4928 CNC(=O)Cc1c(cccc1Br)F 1626a_100102657272_100010172741 [0,1,0,0,0,1|2,0,0]=4 2921 B13R1.4928 CNC(=O)Cc1c(cccc1Br)F 240690a_100102657272_100010172741 [0,1,0,0,0,1|2,0,0]=4 2922 B13R1.4928 CNC(=O)Cc1c(cccc1Br)F 527a_100102657272_100010172741 [0,1,0,0,0,1|2,0,0]=4 2923 B13R1.4928 CNC(=O)Cc1c(cccc1C)C 11a_106832991635_100000689862 [0,1,0,0,0,1|2,0,0]=4 2924 B13R1.4928 CNC(=O)Cc1c(cccc1C)C 1626a_100102657272_100000689862 [0,1,0,0,0,1|2,0,0]=4 2925 B13R1.4928 CNC(=O)Cc1c(cccc1C)C 240690a_100102657272_100000689862 [0,1,0,0,0,1|2,0,0]=4 2926 B13R1.4928 CNC(=O)Cc1c(cccc1C)C 527a_100102657272_100000689862 [0,1,0,0,0,1|2,0,0]=4 2927 B13R1.4928 CNC(=O)Cc1c(cccc1Cl)Cl 11a_106832991635_100000211232 [0,1,0,0,0,1|2,0,0]=4 2928 B13R1.4928 CNC(=O)Cc1c(cccc1Cl)Cl 1626a_100102657272_100000211232 [0,1,0,0,0,1|2,0,0]=4 2929 B13R1.4928 CNC(=O)Cc1c(cccc1Cl)Cl 240690a_100102657272_100000211232 [0,1,0,0,0,1|2,0,0]=4 2930 B13R1.4928 CNC(=O)Cc1c(cccc1Cl)Cl 527a_100102657272_100000211232 [0,1,0,0,0,1|2,0,0]=4 2931 B13R1.4928 CNC(=O)Cc1c(cccc1Cl)F 11a_106832991635_100000185183 [0,1,0,0,0,1|2,0,0]=4 2932 B13R1.4928 CNC(=O)Cc1c(cccc1Cl)F 1626a_100102657272_100000185183 [0,1,0,0,0,1|2,0,0]=4 2933 B13R1.4928 CNC(=O)Cc1c(cccc1Cl)F 240690a_100102657272_100000185183 [0,1,0,0,0,1|2,0,0]=4 2934 B13R1.4928 CNC(=O)Cc1c(cccc1Cl)F 527a_100102657272_100000185183 [0,1,0,0,0,1|2,0,0]=4 2935 B13R1.4928 CNC(=O)Cc1c(cccc1F)F 11a_106832991635_100000684726 [0,1,0,0,0,1|2,0,0]=4 2936 B13R1.4928 CNC(=O)Cc1c(cccc1F)F 1626a_100102657272_100000684726 [0,1,0,0,0,1|2,0,0]=4 2937 B13R1.4928 CNC(=O)Cc1c(cccc1F)F 240690a_100102657272_100000684726 [0,1,0,0,0,1|2,0,0]=4 2938 B13R1.4928 CNC(=O)Cc1c(cccc1F)F 527a_100102657272_100000684726 [0,1,0,0,0,1|2,0,0]=4 2939 B13R1.4928 CNC(=O)Nc1c(cccc1Br)C 2430a_100011834072_100102657272 [0,1,0,0,0,1|2,0,0]=4 2940 B13R1.4928 CNC(=O)Nc1c(cccc1Br)Cl 2430a_100102946385_100102657272 [0,1,0,0,0,1|2,0,0]=4 2941 B13R1.4928 CNC(=O)Nc1c(cccc1C)C 2430a_100000185769_100102657272 [0,1,0,0,0,1|2,0,0]=4 2942 B13R1.4928 CNC(=O)Nc1c(cccc1C)C 512a_106832991638_100000185769 [0,1,0,0,0,1|2,0,0]=4 2943 B13R1.4928 CNC(=O)Nc1c(cccc1Cl)C 2430a_100000756524_100102657272 [0,1,0,0,0,1|2,0,0]=4 2944 B13R1.4928 CNC(=O)Nc1c(cccc1Cl)F 2430a_100000760031_100102657272 [0,1,0,0,0,1|2,0,0]=4 2945 B13R1.4928 CNC(=O)Nc1c(cccc1F)C 2430a_100000766463_100102657272 [0,1,0,0,0,1|2,0,0]=4 2946 B13R1.4928 CNC(=O)Nc1c(cccc1F)F 2430a_100000210704_100102657272 [0,1,0,0,0,1|2,0,0]=4 2947 B13R1.4928 CNC(=O)Nc1c(cccc1F)O 2430a_100020591140_100102657272 [0,1,0,0,0,1|1,0,0]=3 2948 B13R1.4928 CNC(=O)Nc1c(cccc1I)Br 512a_100010146558_100102657272 [0,1,0,0,0,1|2,0,0]=4 2949 B13R1.4928 CNC(=O)Nc1c(cccc1I)F 2430a_100000042321_100102657272 [0,1,0,0,0,1|2,0,0]=4 2950 B13R1.4928 CNC(=O)Nc1c(cccc1O)C 2430a_100000743429_100102657272 [0,1,0,0,0,1|1,0,0]=3 2951 B13R1.4928 COC(=O)Cc1c(cccc1F)O 271570a_203496583355_100010741561 [0,1,0,0,0,1|2,0,0]=4 2952 B13R1.4928 Cc1cccc(c1CC(=O)CO)Br 1458a_100000210174_100010146847 [0,1,0,0,0,1|2,0,0]=4 2953 B13R1.4928 Cc1cccc(c1CC(=O)CO)C 1458a_100000210174_100000758300 [0,1,0,0,0,1|2,0,0]=4 2954 B13R1.4928 Cc1cccc(c1CC(=O)CO)F 1458a_100000210174_100009814554 [0,1,0,0,0,1|2,0,0]=4 2955 B13R1.4928 Cc1cccc(c1CC(=O)CO)I 1458a_100000210174_100010150146 [0,1,0,0,0,1|2,0,0]=4 2956 B13R1.4928 Cc1cccc(c1NC(=O)CO)C 22a_100000185769_100000210174 [0,1,0,0,0,1|2,0,0]=4 2957 B13R1.4928 Cc1cccc(c1NC(=O)CO)F 22a_100000766463_100000210174 [0,1,0,0,0,1|2,0,0]=4 2958 B13R1.4928 Cc1cccc(c1NC(=O)CO)O 22a_100000743429_100000210174 [0,1,0,0,0,1|1,0,0]=3 2959 B13R1.4928 Cc1cccc(c1NC(=O)CO)O 527a_100000743429_100000210174 [0,1,0,0,0,1|1,0,0]=3 2960 B13R1.4928 O=C(CO)Cc1c(cccc1Br)Cl 1458a_100000210174_100010138402 [0,1,0,0,0,1|2,0,0]=4 2961 B13R1.4928 O=C(CO)Cc1c(cccc1Br)F 1458a_100000210174_100000696636 [0,1,0,0,0,1|2,0,0]=4 2962 B13R1.4928 O=C(CO)Cc1c(cccc1Cl)Cl 1458a_100000210174_100000187851 [0,1,0,0,0,1|2,0,0]=4 2963 B13R1.4928 O=C(CO)Cc1c(cccc1Cl)F 1458a_100000210174_100000187852 [0,1,0,0,0,1|2,0,0]=4 2964 B13R1.4928 O=C(CO)Cc1c(cccc1F)F 1458a_100000210174_100000698325 [0,1,0,0,0,1|2,0,0]=4 2965 B13R1.4928 O=C(CO)Cc1c(cccc1I)Br 1458a_100000210174_100010146611 [0,1,0,0,0,1|2,0,0]=4 2966 B13R1.4928 O=C(CO)Cc1c(cccc1I)F 1458a_100000210174_100010149602 [0,1,0,0,0,1|2,0,0]=4 2967 B13R1.4928 O=C(CO)Nc1c(cccc1Br)O 527a_100011934926_100000210174 [0,1,0,0,0,1|1,0,0]=3 2968 B13R1.4928 O=C(CO)Nc1c(cccc1Cl)O 22a_100012022510_100000210174 [0,1,0,0,0,1|1,0,0]=3 2969 B13R1.4928 O=C(CO)Nc1c(cccc1Cl)O 527a_100012022510_100000210174 [0,1,0,0,0,1|1,0,0]=3 2970 B13R1.4928 O=C(CO)Nc1c(cccc1F)O 22a_100020591140_100000210174 [0,1,0,0,0,1|1,0,0]=3 2971 B13R1.4928 O=C(CO)Nc1c(cccc1F)O 527a_100020591140_100000210174 [0,1,0,0,0,1|1,0,0]=3 2972 B13R1.4928 O=C(CO)Nc1c(cccc1I)O 22a_200000049512_100000210174 [0,1,0,0,0,1|1,0,0]=3 2973 B13R1.4928 O=C(CO)Nc1c(cccc1I)O 527a_200000049512_100000210174 [0,1,0,0,0,1|1,0,0]=3 2974 B13R1.4928 O=C(CO)Nc1c(cccc1O)O 22a_100011995820_100000210174 [0,1,0,0,0,1|1,0,0]=3 2975 B13R1.4928 O=C(CO)Nc1c(cccc1O)O 527a_100011995820_100000210174 [0,1,0,0,0,1|1,0,0]=3 2976 B13R1.12 C#CCC(=O)c1cccc(c1O)Br 1458a_100000752940_100000184674 [0,2,0,0,0,0|2,0,0]=4 2977 B13R1.12 C#CCC(=O)c1cccc(c1O)C 1458a_100000183896_100000184674 [0,2,0,0,0,0|2,0,0]=4 2978 B13R1.12 C#CCC(=O)c1cccc(c1O)Cl 1458a_100000742801_100000184674 [0,2,0,0,0,0|2,0,0]=4 2979 B13R1.12 C#CCC(=O)c1cccc(c1O)F 1458a_100011217230_100000184674 [0,2,0,0,0,0|2,0,0]=4 2980 B13R1.12 C#CCC(=O)c1cccc(c1O)O 1458a_100000690420_100000184674 [0,2,0,0,0,0|2,0,0]=4 2981 B13R1.12 C=CCC(=O)c1cccc(c1O)Br 1458a_100000752940_100000210623 [0,2,0,0,0,0|2,0,0]=4 2982 B13R1.12 C=CCC(=O)c1cccc(c1O)C 1458a_100000183896_100000210623 [0,2,0,0,0,0|2,0,0]=4 2983 B13R1.12 C=CCC(=O)c1cccc(c1O)Cl 1458a_100000742801_100000210623 [0,2,0,0,0,0|2,0,0]=4 2984 B13R1.12 C=CCC(=O)c1cccc(c1O)F 1458a_100011217230_100000210623 [0,2,0,0,0,0|2,0,0]=4 2985 B13R1.12 C=CCC(=O)c1cccc(c1O)O 1458a_100000690420_100000210623 [0,2,0,0,0,0|2,0,0]=4 2986 B13R1.12 CCCC(=O)c1cccc(c1O)Br 1458a_100000752940_100000210303 [0,2,0,0,0,0|2,0,0]=4 2987 B13R1.12 CCCC(=O)c1cccc(c1O)C 1458a_100000183896_100000210303 [0,2,0,0,0,0|2,0,0]=4 2988 B13R1.12 CCCC(=O)c1cccc(c1O)Cl 1458a_100000742801_100000210303 [0,2,0,0,0,0|2,0,0]=4 2989 B13R1.12 CCCC(=O)c1cccc(c1O)F 1458a_100011217230_100000210303 [0,2,0,0,0,0|2,0,0]=4 2990 B13R1.12 CCCC(=O)c1cccc(c1O)O 1458a_100000690420_100000210303 [0,2,0,0,0,0|2,0,0]=4 2991 B13R1.12 CCNC(=O)c1cccc(c1Br)Br 11a_100015525214_100012360534 [0,2,0,0,0,0|2,0,0]=4 2992 B13R1.12 CCNC(=O)c1cccc(c1Br)Br 240690a_100015525214_100012360534 [0,2,0,0,0,0|2,0,0]=4 2993 B13R1.12 CCNC(=O)c1cccc(c1Br)Br 527a_100015525214_100012360534 [0,2,0,0,0,0|2,0,0]=4 2994 B13R1.12 CCNC(=O)c1cccc(c1Br)C 11a_100015525214_100000692419 [0,2,0,0,0,0|2,0,0]=4 2995 B13R1.12 CCNC(=O)c1cccc(c1Br)C 240690a_100015525214_100000692419 [0,2,0,0,0,0|2,0,0]=4 2996 B13R1.12 CCNC(=O)c1cccc(c1Br)C 527a_100015525214_100000692419 [0,2,0,0,0,0|2,0,0]=4 2997 B13R1.12 CCNC(=O)c1cccc(c1Br)Cl 11a_100015525214_100012339722 [0,2,0,0,0,0|2,0,0]=4 2998 B13R1.12 CCNC(=O)c1cccc(c1Br)Cl 240690a_100015525214_100012339722 [0,2,0,0,0,0|2,0,0]=4 2999 B13R1.12 CCNC(=O)c1cccc(c1Br)Cl 527a_100015525214_100012339722 [0,2,0,0,0,0|2,0,0]=4 3000 B13R1.12 CCNC(=O)c1cccc(c1Br)F 11a_100015525214_100011217547 [0,2,0,0,0,0|2,0,0]=4 3001 B13R1.12 CCNC(=O)c1cccc(c1Br)F 240690a_100015525214_100011217547 [0,2,0,0,0,0|2,0,0]=4 3002 B13R1.12 CCNC(=O)c1cccc(c1Br)F 527a_100015525214_100011217547 [0,2,0,0,0,0|2,0,0]=4 3003 B13R1.12 CCNC(=O)c1cccc(c1Br)I 11a_100015525214_100010232522 [0,2,0,0,0,0|2,0,0]=4 3004 B13R1.12 CCNC(=O)c1cccc(c1Br)I 240690a_100015525214_100010232522 [0,2,0,0,0,0|2,0,0]=4 3005 B13R1.12 CCNC(=O)c1cccc(c1Br)I 527a_100015525214_100010232522 [0,2,0,0,0,0|2,0,0]=4 3006 B13R1.12 CCNC(=O)c1cccc(c1Br)O 240690a_100015525214_100010230362 [0,2,0,0,0,0|2,0,0]=4 3007 B13R1.12 CCNC(=O)c1cccc(c1Br)O 527a_100015525214_100010230362 [0,2,0,0,0,0|2,0,0]=4 3008 B13R1.12 CCNC(=O)c1cccc(c1C)Br 11a_100015525214_100000760464 [0,2,0,0,0,0|2,0,0]=4 3009 B13R1.12 CCNC(=O)c1cccc(c1C)Br 240690a_100015525214_100000760464 [0,2,0,0,0,0|2,0,0]=4 3010 B13R1.12 CCNC(=O)c1cccc(c1C)Br 527a_100015525214_100000760464 [0,2,0,0,0,0|2,0,0]=4 3011 B13R1.12 CCNC(=O)c1cccc(c1C)C 11a_100015525214_100000183679 [0,2,0,0,0,0|2,0,0]=4 3012 B13R1.12 CCNC(=O)c1cccc(c1C)C 240690a_100015525214_100000183679 [0,2,0,0,0,0|2,0,0]=4 3013 B13R1.12 CCNC(=O)c1cccc(c1C)C 527a_100015525214_100000183679 [0,2,0,0,0,0|2,0,0]=4 3014 B13R1.12 CCNC(=O)c1cccc(c1C)Cl 11a_100015525214_100000690184 [0,2,0,0,0,0|2,0,0]=4 3015 B13R1.12 CCNC(=O)c1cccc(c1C)Cl 240690a_100015525214_100000690184 [0,2,0,0,0,0|2,0,0]=4 3016 B13R1.12 CCNC(=O)c1cccc(c1C)Cl 527a_100015525214_100000690184 [0,2,0,0,0,0|2,0,0]=4 3017 B13R1.12 CCNC(=O)c1cccc(c1C)F 11a_100015525214_100011218272 [0,2,0,0,0,0|2,0,0]=4 3018 B13R1.12 CCNC(=O)c1cccc(c1C)F 240690a_100015525214_100011218272 [0,2,0,0,0,0|2,0,0]=4 3019 B13R1.12 CCNC(=O)c1cccc(c1C)F 527a_100015525214_100011218272 [0,2,0,0,0,0|2,0,0]=4 3020 B13R1.12 CCNC(=O)c1cccc(c1C)I 11a_100015525214_100000751865 [0,2,0,0,0,0|2,0,0]=4 3021 B13R1.12 CCNC(=O)c1cccc(c1C)I 240690a_100015525214_100000751865 [0,2,0,0,0,0|2,0,0]=4 3022 B13R1.12 CCNC(=O)c1cccc(c1C)I 527a_100015525214_100000751865 [0,2,0,0,0,0|2,0,0]=4 3023 B13R1.12 CCNC(=O)c1cccc(c1C)O 240690a_100015525214_100000766327 [0,2,0,0,0,0|2,0,0]=4 3024 B13R1.12 CCNC(=O)c1cccc(c1C)O 527a_100015525214_100000766327 [0,2,0,0,0,0|2,0,0]=4 3025 B13R1.12 CCNC(=O)c1cccc(c1Cl)Br 11a_100015525214_100000760540 [0,2,0,0,0,0|2,0,0]=4 3026 B13R1.12 CCNC(=O)c1cccc(c1Cl)Br 240690a_100015525214_100000760540 [0,2,0,0,0,0|2,0,0]=4 3027 B13R1.12 CCNC(=O)c1cccc(c1Cl)Br 527a_100015525214_100000760540 [0,2,0,0,0,0|2,0,0]=4 3028 B13R1.12 CCNC(=O)c1cccc(c1Cl)C 11a_100015525214_100000693142 [0,2,0,0,0,0|2,0,0]=4 3029 B13R1.12 CCNC(=O)c1cccc(c1Cl)C 240690a_100015525214_100000693142 [0,2,0,0,0,0|2,0,0]=4 3030 B13R1.12 CCNC(=O)c1cccc(c1Cl)C 527a_100015525214_100000693142 [0,2,0,0,0,0|2,0,0]=4 3031 B13R1.12 CCNC(=O)c1cccc(c1Cl)Cl 11a_100015525214_100000183631 [0,2,0,0,0,0|2,0,0]=4 3032 B13R1.12 CCNC(=O)c1cccc(c1Cl)Cl 240690a_100015525214_100000183631 [0,2,0,0,0,0|2,0,0]=4 3033 B13R1.12 CCNC(=O)c1cccc(c1Cl)Cl 527a_100015525214_100000183631 [0,2,0,0,0,0|2,0,0]=4 3034 B13R1.12 CCNC(=O)c1cccc(c1Cl)F 11a_100015525214_100000759904 [0,2,0,0,0,0|2,0,0]=4 3035 B13R1.12 CCNC(=O)c1cccc(c1Cl)F 240690a_100015525214_100000759904 [0,2,0,0,0,0|2,0,0]=4 3036 B13R1.12 CCNC(=O)c1cccc(c1Cl)F 527a_100015525214_100000759904 [0,2,0,0,0,0|2,0,0]=4 3037 B13R1.12 CCNC(=O)c1cccc(c1Cl)I 11a_100015525214_100010176783 [0,2,0,0,0,0|2,0,0]=4 3038 B13R1.12 CCNC(=O)c1cccc(c1Cl)I 240690a_100015525214_100010176783 [0,2,0,0,0,0|2,0,0]=4 3039 B13R1.12 CCNC(=O)c1cccc(c1Cl)I 527a_100015525214_100010176783 [0,2,0,0,0,0|2,0,0]=4 3040 B13R1.12 CCNC(=O)c1cccc(c1Cl)O 240690a_100015525214_100000092362 [0,2,0,0,0,0|2,0,0]=4 3041 B13R1.12 CCNC(=O)c1cccc(c1Cl)O 527a_100015525214_100000092362 [0,2,0,0,0,0|2,0,0]=4 3042 B13R1.12 CCNC(=O)c1cccc(c1F)Br 11a_100015525214_100000756403 [0,2,0,0,0,0|2,0,0]=4 3043 B13R1.12 CCNC(=O)c1cccc(c1F)Br 240690a_100015525214_100000756403 [0,2,0,0,0,0|2,0,0]=4 3044 B13R1.12 CCNC(=O)c1cccc(c1F)Br 527a_100015525214_100000756403 [0,2,0,0,0,0|2,0,0]=4 3045 B13R1.12 CCNC(=O)c1cccc(c1F)C 11a_100015525214_100000766181 [0,2,0,0,0,0|2,0,0]=4 3046 B13R1.12 CCNC(=O)c1cccc(c1F)C 240690a_100015525214_100000766181 [0,2,0,0,0,0|2,0,0]=4 3047 B13R1.12 CCNC(=O)c1cccc(c1F)C 527a_100015525214_100000766181 [0,2,0,0,0,0|2,0,0]=4 3048 B13R1.12 CCNC(=O)c1cccc(c1F)Cl 11a_100015525214_100000688816 [0,2,0,0,0,0|2,0,0]=4 3049 B13R1.12 CCNC(=O)c1cccc(c1F)Cl 240690a_100015525214_100000688816 [0,2,0,0,0,0|2,0,0]=4 3050 B13R1.12 CCNC(=O)c1cccc(c1F)Cl 527a_100015525214_100000688816 [0,2,0,0,0,0|2,0,0]=4 3051 B13R1.12 CCNC(=O)c1cccc(c1F)F 11a_100015525214_100000748134 [0,2,0,0,0,0|2,0,0]=4 3052 B13R1.12 CCNC(=O)c1cccc(c1F)F 240690a_100015525214_100000748134 [0,2,0,0,0,0|2,0,0]=4 3053 B13R1.12 CCNC(=O)c1cccc(c1F)F 527a_100015525214_100000748134 [0,2,0,0,0,0|2,0,0]=4 3054 B13R1.12 CCNC(=O)c1cccc(c1F)I 11a_100015525214_100010185205 [0,2,0,0,0,0|2,0,0]=4 3055 B13R1.12 CCNC(=O)c1cccc(c1F)I 240690a_100015525214_100010185205 [0,2,0,0,0,0|2,0,0]=4 3056 B13R1.12 CCNC(=O)c1cccc(c1F)I 527a_100015525214_100010185205 [0,2,0,0,0,0|2,0,0]=4 3057 B13R1.12 CCNC(=O)c1cccc(c1F)O 240690a_100015525214_100000037433 [0,2,0,0,0,0|2,0,0]=4 3058 B13R1.12 CCNC(=O)c1cccc(c1F)O 527a_100015525214_100000037433 [0,2,0,0,0,0|2,0,0]=4 3059 B13R1.12 CCNC(=O)c1cccc(c1I)Br 11a_100015525214_100000688019 [0,2,0,0,0,0|2,0,0]=4 3060 B13R1.12 CCNC(=O)c1cccc(c1I)Br 240690a_100015525214_100000688019 [0,2,0,0,0,0|2,0,0]=4 3061 B13R1.12 CCNC(=O)c1cccc(c1I)Br 527a_100015525214_100000688019 [0,2,0,0,0,0|2,0,0]=4 3062 B13R1.12 CCNC(=O)c1cccc(c1I)C 11a_100015525214_100000739377 [0,2,0,0,0,0|2,0,0]=4 3063 B13R1.12 CCNC(=O)c1cccc(c1I)C 240690a_100015525214_100000739377 [0,2,0,0,0,0|2,0,0]=4 3064 B13R1.12 CCNC(=O)c1cccc(c1I)C 527a_100015525214_100000739377 [0,2,0,0,0,0|2,0,0]=4 3065 B13R1.12 CCNC(=O)c1cccc(c1I)Cl 11a_100015525214_100010176784 [0,2,0,0,0,0|2,0,0]=4 3066 B13R1.12 CCNC(=O)c1cccc(c1I)Cl 240690a_100015525214_100010176784 [0,2,0,0,0,0|2,0,0]=4 3067 B13R1.12 CCNC(=O)c1cccc(c1I)Cl 527a_100015525214_100010176784 [0,2,0,0,0,0|2,0,0]=4 3068 B13R1.12 CCNC(=O)c1cccc(c1I)F 11a_100015525214_100000690930 [0,2,0,0,0,0|2,0,0]=4 3069 B13R1.12 CCNC(=O)c1cccc(c1I)F 240690a_100015525214_100000690930 [0,2,0,0,0,0|2,0,0]=4 3070 B13R1.12 CCNC(=O)c1cccc(c1I)F 527a_100015525214_100000690930 [0,2,0,0,0,0|2,0,0]=4 3071 B13R1.12 CCNC(=O)c1cccc(c1I)O 527a_100015525214_100010084636 [0,2,0,0,0,0|2,0,0]=4 3072 B13R1.12 CCNC(=O)c1cccc(c1O)Br 240690a_100015525214_100000752940 [0,2,0,0,0,0|1,0,0]=3 3073 B13R1.12 CCNC(=O)c1cccc(c1O)Br 527a_100015525214_100000752940 [0,2,0,0,0,0|1,0,0]=3 3074 B13R1.12 CCNC(=O)c1cccc(c1O)C 240690a_100015525214_100000183896 [0,2,0,0,0,0|1,0,0]=3 3075 B13R1.12 CCNC(=O)c1cccc(c1O)C 527a_100015525214_100000183896 [0,2,0,0,0,0|1,0,0]=3 3076 B13R1.12 CCNC(=O)c1cccc(c1O)Cl 240690a_100015525214_100000742801 [0,2,0,0,0,0|1,0,0]=3 3077 B13R1.12 CCNC(=O)c1cccc(c1O)Cl 527a_100015525214_100000742801 [0,2,0,0,0,0|1,0,0]=3 3078 B13R1.12 CCNC(=O)c1cccc(c1O)F 240690a_100015525214_100011217230 [0,2,0,0,0,0|1,0,0]=3 3079 B13R1.12 CCNC(=O)c1cccc(c1O)F 527a_100015525214_100011217230 [0,2,0,0,0,0|1,0,0]=3 3080 B13R1.12 CCNC(=O)c1cccc(c1O)O 527a_100015525214_100000690420 [0,2,0,0,0,0|1,0,0]=3 3081 B13R1.12 CCOC(=O)c1cccc(c1O)C 271570a_203496583355_200012184857 [0,2,0,0,0,0|2,0,0]=4 3082 B13R1.12 CCOC(=O)c1cccc(c1O)F 271570a_203496583355_100012357632 [0,2,0,0,0,0|2,0,0]=4 3083 B13R1.12 CNCC(=O)c1cccc(c1C)I 34a_100102657272_100160470822 [0,2,0,0,0,0|2,0,0]=4 3084 B13R1.12 CNCC(=O)c1cccc(c1C)I 7a_106832991635_100160470822 [0,2,0,0,0,0|2,0,0]=4 3085 B13R1.12 CNCC(=O)c1cccc(c1F)Br 2230a_106832991635_100012356374 [0,2,0,0,0,0|2,0,0]=4 3086 B13R1.12 CNCC(=O)c1cccc(c1F)Br 34a_100102657272_100012356374 [0,2,0,0,0,0|2,0,0]=4 3087 B13R1.12 CNCC(=O)c1cccc(c1F)Br 7a_106832991635_100012356374 [0,2,0,0,0,0|2,0,0]=4 3088 B13R1.12 CNCC(=O)c1cccc(c1F)Cl 2230a_106832991635_200012351890 [0,2,0,0,0,0|2,0,0]=4 3089 B13R1.12 CNCC(=O)c1cccc(c1F)Cl 34a_100102657272_200012351890 [0,2,0,0,0,0|2,0,0]=4 3090 B13R1.12 CNCC(=O)c1cccc(c1F)Cl 7a_106832991635_200012351890 [0,2,0,0,0,0|2,0,0]=4 3091 B13R1.12 CNNC(=O)c1cccc(c1Br)Br 22a_100016993582_100012360534 [0,2,0,0,0,0|2,0,0]=4 3092 B13R1.12 CNNC(=O)c1cccc(c1Br)C 22a_100016993582_100000692419 [0,2,0,0,0,0|2,0,0]=4 3093 B13R1.12 CNNC(=O)c1cccc(c1Br)Cl 22a_100016993582_100012339722 [0,2,0,0,0,0|2,0,0]=4 3094 B13R1.12 CNNC(=O)c1cccc(c1Br)F 22a_100016993582_100011217547 [0,2,0,0,0,0|2,0,0]=4 3095 B13R1.12 CNNC(=O)c1cccc(c1Br)I 22a_100016993582_100010232522 [0,2,0,0,0,0|2,0,0]=4 3096 B13R1.12 CNNC(=O)c1cccc(c1Br)O 22a_100016993582_100010230362 [0,2,0,0,0,0|2,0,0]=4 3097 B13R1.12 CNNC(=O)c1cccc(c1C)Br 22a_100016993582_100000760464 [0,2,0,0,0,0|2,0,0]=4 3098 B13R1.12 CNNC(=O)c1cccc(c1C)C 22a_100016993582_100000183679 [0,2,0,0,0,0|2,0,0]=4 3099 B13R1.12 CNNC(=O)c1cccc(c1C)Cl 22a_100016993582_100000690184 [0,2,0,0,0,0|2,0,0]=4 3100 B13R1.12 CNNC(=O)c1cccc(c1C)F 22a_100016993582_100011218272 [0,2,0,0,0,0|2,0,0]=4 3101 B13R1.12 CNNC(=O)c1cccc(c1C)I 22a_100016993582_100000751865 [0,2,0,0,0,0|2,0,0]=4 3102 B13R1.12 CNNC(=O)c1cccc(c1C)O 22a_100016993582_100000766327 [0,2,0,0,0,0|2,0,0]=4 3103 B13R1.12 CNNC(=O)c1cccc(c1Cl)Br 22a_100016993582_100000760540 [0,2,0,0,0,0|2,0,0]=4 3104 B13R1.12 CNNC(=O)c1cccc(c1Cl)C 22a_100016993582_100000693142 [0,2,0,0,0,0|2,0,0]=4 3105 B13R1.12 CNNC(=O)c1cccc(c1Cl)Cl 22a_100016993582_100000183631 [0,2,0,0,0,0|2,0,0]=4 3106 B13R1.12 CNNC(=O)c1cccc(c1Cl)F 22a_100016993582_100000759904 [0,2,0,0,0,0|2,0,0]=4 3107 B13R1.12 CNNC(=O)c1cccc(c1Cl)I 22a_100016993582_100010176783 [0,2,0,0,0,0|2,0,0]=4 3108 B13R1.12 CNNC(=O)c1cccc(c1Cl)O 22a_100016993582_100000092362 [0,2,0,0,0,0|2,0,0]=4 3109 B13R1.12 CNNC(=O)c1cccc(c1F)Br 22a_100016993582_100000756403 [0,2,0,0,0,0|2,0,0]=4 3110 B13R1.12 CNNC(=O)c1cccc(c1F)C 22a_100016993582_100000766181 [0,2,0,0,0,0|2,0,0]=4 3111 B13R1.12 CNNC(=O)c1cccc(c1F)Cl 22a_100016993582_100000688816 [0,2,0,0,0,0|2,0,0]=4 3112 B13R1.12 CNNC(=O)c1cccc(c1F)F 22a_100016993582_100000748134 [0,2,0,0,0,0|2,0,0]=4 3113 B13R1.12 CNNC(=O)c1cccc(c1F)I 22a_100016993582_100010185205 [0,2,0,0,0,0|2,0,0]=4 3114 B13R1.12 CNNC(=O)c1cccc(c1F)O 22a_100016993582_100000037433 [0,2,0,0,0,0|2,0,0]=4 3115 B13R1.12 CNNC(=O)c1cccc(c1I)Br 22a_100016993582_100000688019 [0,2,0,0,0,0|2,0,0]=4 3116 B13R1.12 CNNC(=O)c1cccc(c1I)C 22a_100016993582_100000739377 [0,2,0,0,0,0|2,0,0]=4 3117 B13R1.12 CNNC(=O)c1cccc(c1I)Cl 22a_100016993582_100010176784 [0,2,0,0,0,0|2,0,0]=4 3118 B13R1.12 CNNC(=O)c1cccc(c1I)F 22a_100016993582_100000690930 [0,2,0,0,0,0|2,0,0]=4 3119 B13R1.12 CNNC(=O)c1cccc(c1I)O 22a_100016993582_100010084636 [0,2,0,0,0,0|2,0,0]=4 3120 B13R1.12 CNNC(=O)c1cccc(c1O)Br 22a_100016993582_100000752940 [0,2,0,0,0,0|1,0,0]=3 3121 B13R1.12 CNNC(=O)c1cccc(c1O)C 22a_100016993582_100000183896 [0,2,0,0,0,0|1,0,0]=3 3122 B13R1.12 CNNC(=O)c1cccc(c1O)Cl 22a_100016993582_100000742801 [0,2,0,0,0,0|1,0,0]=3 3123 B13R1.12 CNNC(=O)c1cccc(c1O)F 22a_100016993582_100011217230 [0,2,0,0,0,0|1,0,0]=3 3124 B13R1.12 CNNC(=O)c1cccc(c1O)O 22a_100016993582_100000690420 [0,2,0,0,0,0|1,0,0]=3 3125 B13R1.12 COCC(=O)c1cccc(c1C)I 34a_100138415774_100160470822 [0,2,0,0,0,0|2,0,0]=4 3126 B13R1.12 COCC(=O)c1cccc(c1F)Br 34a_100138415774_100012356374 [0,2,0,0,0,0|2,0,0]=4 3127 B13R1.12 COCC(=O)c1cccc(c1F)Cl 34a_100138415774_200012351890 [0,2,0,0,0,0|2,0,0]=4 3128 B13R1.12 Cc1c(cccc1C(=O)CCO)Br 1458a_100000760464_100000211926 [0,2,0,0,0,0|2,0,0]=4 3129 B13R1.12 Cc1c(cccc1C(=O)CCO)Cl 1458a_100000690184_100000211926 [0,2,0,0,0,0|2,0,0]=4 3130 B13R1.12 Cc1c(cccc1C(=O)CCO)F 1458a_100011218272_100000211926 [0,2,0,0,0,0|2,0,0]=4 3131 B13R1.12 Cc1c(cccc1C(=O)CCO)I 1458a_100000751865_100000211926 [0,2,0,0,0,0|2,0,0]=4 3132 B13R1.12 Cc1c(cccc1C(=O)CCO)O 1458a_100000766327_100000211926 [0,2,0,0,0,0|2,0,0]=4 3133 B13R1.12 Cc1cccc(c1Br)C(=O)CCO 1458a_100000692419_100000211926 [0,2,0,0,0,0|2,0,0]=4 3134 B13R1.12 Cc1cccc(c1C)C(=O)CCO 1458a_100000183679_100000211926 [0,2,0,0,0,0|2,0,0]=4 3135 B13R1.12 Cc1cccc(c1Cl)C(=O)CCO 1458a_100000693142_100000211926 [0,2,0,0,0,0|2,0,0]=4 3136 B13R1.12 Cc1cccc(c1F)C(=O)CCO 1458a_100000766181_100000211926 [0,2,0,0,0,0|2,0,0]=4 3137 B13R1.12 Cc1cccc(c1I)C(=O)CCO 1458a_100000739377_100000211926 [0,2,0,0,0,0|2,0,0]=4 3138 B13R1.12 Cc1cccc(c1O)C(=O)CC#N 1458a_100000183896_100011214920 [0,2,0,0,0,0|2,0,0]=4 3139 B13R1.12 Cc1cccc(c1O)C(=O)CCF 1458a_100000183896_100011217306 [0,2,0,0,0,0|2,0,0]=4 3140 B13R1.12 Cc1cccc(c1O)C(=O)CCO 1458a_100000183896_100000211926 [0,2,0,0,0,0|1,0,0]=3 3141 B13R1.12 N#CCC(=O)c1cccc(c1O)Br 1458a_100000752940_100011214920 [0,2,0,0,0,0|2,0,0]=4 3142 B13R1.12 N#CCC(=O)c1cccc(c1O)Cl 1458a_100000742801_100011214920 [0,2,0,0,0,0|2,0,0]=4 3143 B13R1.12 N#CCC(=O)c1cccc(c1O)F 1458a_100011217230_100011214920 [0,2,0,0,0,0|2,0,0]=4 3144 B13R1.12 N#CCC(=O)c1cccc(c1O)O 1458a_100000690420_100011214920 [0,2,0,0,0,0|2,0,0]=4 3145 B13R1.12 O=C(CCF)c1cccc(c1O)Br 1458a_100000752940_100011217306 [0,2,0,0,0,0|2,0,0]=4 3146 B13R1.12 O=C(CCF)c1cccc(c1O)Cl 1458a_100000742801_100011217306 [0,2,0,0,0,0|2,0,0]=4 3147 B13R1.12 O=C(CCF)c1cccc(c1O)F 1458a_100011217230_100011217306 [0,2,0,0,0,0|2,0,0]=4 3148 B13R1.12 O=C(CCF)c1cccc(c1O)O 1458a_100000690420_100011217306 [0,2,0,0,0,0|2,0,0]=4 3149 B13R1.12 O=C(CCO)c1cccc(c1Br)Br 1458a_100012360534_100000211926 [0,2,0,0,0,0|2,0,0]=4 3150 B13R1.12 O=C(CCO)c1cccc(c1Br)Cl 1458a_100012339722_100000211926 [0,2,0,0,0,0|2,0,0]=4 3151 B13R1.12 O=C(CCO)c1cccc(c1Br)F 1458a_100011217547_100000211926 [0,2,0,0,0,0|2,0,0]=4 3152 B13R1.12 O=C(CCO)c1cccc(c1Br)I 1458a_100010232522_100000211926 [0,2,0,0,0,0|2,0,0]=4 3153 B13R1.12 O=C(CCO)c1cccc(c1Br)O 1458a_100010230362_100000211926 [0,2,0,0,0,0|2,0,0]=4 3154 B13R1.12 O=C(CCO)c1cccc(c1Cl)Br 1458a_100000760540_100000211926 [0,2,0,0,0,0|2,0,0]=4 3155 B13R1.12 O=C(CCO)c1cccc(c1Cl)Cl 1458a_100000183631_100000211926 [0,2,0,0,0,0|2,0,0]=4 3156 B13R1.12 O=C(CCO)c1cccc(c1Cl)F 1458a_100000759904_100000211926 [0,2,0,0,0,0|2,0,0]=4 3157 B13R1.12 O=C(CCO)c1cccc(c1Cl)I 1458a_100010176783_100000211926 [0,2,0,0,0,0|2,0,0]=4 3158 B13R1.12 O=C(CCO)c1cccc(c1Cl)O 1458a_100000092362_100000211926 [0,2,0,0,0,0|2,0,0]=4 3159 B13R1.12 O=C(CCO)c1cccc(c1F)Br 1458a_100000756403_100000211926 [0,2,0,0,0,0|2,0,0]=4 3160 B13R1.12 O=C(CCO)c1cccc(c1F)Cl 1458a_100000688816_100000211926 [0,2,0,0,0,0|2,0,0]=4 3161 B13R1.12 O=C(CCO)c1cccc(c1F)F 1458a_100000748134_100000211926 [0,2,0,0,0,0|2,0,0]=4 3162 B13R1.12 O=C(CCO)c1cccc(c1F)I 1458a_100010185205_100000211926 [0,2,0,0,0,0|2,0,0]=4 3163 B13R1.12 O=C(CCO)c1cccc(c1F)O 1458a_100000037433_100000211926 [0,2,0,0,0,0|2,0,0]=4 3164 B13R1.12 O=C(CCO)c1cccc(c1I)Br 1458a_100000688019_100000211926 [0,2,0,0,0,0|2,0,0]=4 3165 B13R1.12 O=C(CCO)c1cccc(c1I)Cl 1458a_100010176784_100000211926 [0,2,0,0,0,0|2,0,0]=4 3166 B13R1.12 O=C(CCO)c1cccc(c1I)F 1458a_100000690930_100000211926 [0,2,0,0,0,0|2,0,0]=4 3167 B13R1.12 O=C(CCO)c1cccc(c1I)O 1458a_100010084636_100000211926 [0,2,0,0,0,0|2,0,0]=4 3168 B13R1.12 O=C(CCO)c1cccc(c1O)Br 1458a_100000752940_100000211926 [0,2,0,0,0,0|1,0,0]=3 3169 B13R1.12 O=C(CCO)c1cccc(c1O)Cl 1458a_100000742801_100000211926 [0,2,0,0,0,0|1,0,0]=3 3170 B13R1.12 O=C(CCO)c1cccc(c1O)F 1458a_100011217230_100000211926 [0,2,0,0,0,0|1,0,0]=3 3171 B13R1.12 O=C(CCO)c1cccc(c1O)O 1458a_100000690420_100000211926 [0,2,0,0,0,0|1,0,0]=3 3172 B13R1.82 C=Cc1cccc(c1C)C(=O)NN 271570a_100011290941_200012298103 [0,2,0,0,0,0|2,0,0]=4 3173 B13R1.82 C=Cc1cccc(c1O)C(=O)OC 271570a_100011290941_100009816214 [0,2,0,0,0,0|2,0,0]=4 3174 B13R1.82 CCC(=O)c1cccc(c1O)C#N 1458a_100009886288_100000210202 [0,2,0,0,0,0|2,0,0]=4 3175 B13R1.82 CCC(=O)c1cccc(c1O)OC 1458a_100000212136_100000210202 [0,2,0,0,0,0|2,0,0]=4 3176 B13R1.82 CCc1cccc(c1O)C(=O)OC 271570a_203496583355_200009992460 [0,2,0,0,0,0|2,0,0]=4 3177 B13R1.82 CNC(=O)c1cccc(c1Br)OC 11a_106832991635_100010245468 [0,2,0,0,0,0|2,0,0]=4 3178 B13R1.82 CNC(=O)c1cccc(c1Br)OC 1626a_100102657272_100010245468 [0,2,0,0,0,0|2,0,0]=4 3179 B13R1.82 CNC(=O)c1cccc(c1Br)OC 240690a_100102657272_100010245468 [0,2,0,0,0,0|2,0,0]=4 3180 B13R1.82 CNC(=O)c1cccc(c1Br)OC 527a_100102657272_100010245468 [0,2,0,0,0,0|2,0,0]=4 3181 B13R1.82 CNC(=O)c1cccc(c1C)NC 34a_100000739055_200000210301 [0,2,0,0,0,0|2,0,0]=4 3182 B13R1.82 CNC(=O)c1cccc(c1C)N[13CH3] 34a_100000739055_200025704644 [0,2,0,0,0,0|2,0,0]=4 3183 B13R1.82 CNC(=O)c1cccc(c1C)OC 11a_106832991635_100011217801 [0,2,0,0,0,0|2,0,0]=4 3184 B13R1.82 CNC(=O)c1cccc(c1C)OC 1626a_100102657272_100011217801 [0,2,0,0,0,0|2,0,0]=4 3185 B13R1.82 CNC(=O)c1cccc(c1C)OC 240690a_100102657272_100011217801 [0,2,0,0,0,0|2,0,0]=4 3186 B13R1.82 CNC(=O)c1cccc(c1C)OC 527a_100102657272_100011217801 [0,2,0,0,0,0|2,0,0]=4 3187 B13R1.82 CNC(=O)c1cccc(c1Cl)C#N 11a_106832991635_100009860865 [0,2,0,0,0,0|2,0,0]=4 3188 B13R1.82 CNC(=O)c1cccc(c1Cl)C#N 1626a_100102657272_100009860865 [0,2,0,0,0,0|2,0,0]=4 3189 B13R1.82 CNC(=O)c1cccc(c1Cl)C#N 527a_100102657272_100009860865 [0,2,0,0,0,0|2,0,0]=4 3190 B13R1.82 CNC(=O)c1cccc(c1Cl)OC 11a_106832991635_100000068443 [0,2,0,0,0,0|2,0,0]=4 3191 B13R1.82 CNC(=O)c1cccc(c1Cl)OC 1626a_100102657272_100000068443 [0,2,0,0,0,0|2,0,0]=4 3192 B13R1.82 CNC(=O)c1cccc(c1Cl)OC 240690a_100102657272_100000068443 [0,2,0,0,0,0|2,0,0]=4 3193 B13R1.82 CNC(=O)c1cccc(c1Cl)OC 527a_100102657272_100000068443 [0,2,0,0,0,0|2,0,0]=4 3194 B13R1.82 CNC(=O)c1cccc(c1F)C#N 11a_106832991635_100011999812 [0,2,0,0,0,0|2,0,0]=4 3195 B13R1.82 CNC(=O)c1cccc(c1F)C#N 1626a_100102657272_100011999812 [0,2,0,0,0,0|2,0,0]=4 3196 B13R1.82 CNC(=O)c1cccc(c1F)C#N 240690a_100102657272_100011999812 [0,2,0,0,0,0|2,0,0]=4 3197 B13R1.82 CNC(=O)c1cccc(c1F)C#N 527a_100102657272_100011999812 [0,2,0,0,0,0|2,0,0]=4 3198 B13R1.82 CNC(=O)c1cccc(c1F)OC 11a_106832991635_100000766180 [0,2,0,0,0,0|2,0,0]=4 3199 B13R1.82 CNC(=O)c1cccc(c1F)OC 1626a_100102657272_100000766180 [0,2,0,0,0,0|2,0,0]=4 3200 B13R1.82 CNC(=O)c1cccc(c1F)OC 240690a_100102657272_100000766180 [0,2,0,0,0,0|2,0,0]=4 3201 B13R1.82 CNC(=O)c1cccc(c1F)OC 527a_100102657272_100000766180 [0,2,0,0,0,0|2,0,0]=4 3202 B13R1.82 CNC(=O)c1cccc(c1I)OC 11a_106832991635_100010075502 [0,2,0,0,0,0|2,0,0]=4 3203 B13R1.82 CNC(=O)c1cccc(c1I)OC 1626a_100102657272_100010075502 [0,2,0,0,0,0|2,0,0]=4 3204 B13R1.82 CNC(=O)c1cccc(c1I)OC 240690a_100102657272_100010075502 [0,2,0,0,0,0|2,0,0]=4 3205 B13R1.82 CNC(=O)c1cccc(c1I)OC 527a_100102657272_100010075502 [0,2,0,0,0,0|2,0,0]=4 3206 B13R1.82 CNC(=O)c1cccc(c1O)C#N 527a_100102657272_100009886288 [0,2,0,0,0,0|1,0,0]=3 3207 B13R1.82 CNC(=O)c1cccc(c1O)OC 240690a_100102657272_100000212136 [0,2,0,0,0,0|1,0,0]=3 3208 B13R1.82 CNC(=O)c1cccc(c1O)OC 527a_100102657272_100000212136 [0,2,0,0,0,0|1,0,0]=3 3209 B13R1.82 COC(=O)c1cccc(c1O)OC 271570a_203496583355_100010189551 [0,2,0,0,0,0|2,0,0]=4 3210 B13R1.82 COC(=O)c1cccc(c1O)SC 62a_100009816214_200000210301 [0,2,0,0,0,0|2,0,0]=4 3211 B13R1.82 COC(=O)c1cccc(c1O)S[13CH3] 62a_100009816214_200025704644 [0,2,0,0,0,0|2,0,0]=4 3212 B13R1.82 COc1cccc(c1O)C(=O)CF 1458a_100000212136_100015361967 [0,2,0,0,0,0|2,0,0]=4 3213 B13R1.82 CSc1cccc(c1C)C(=O)NN 62a_200000210301_200012298103 [0,2,0,0,0,0|2,0,0]=4 3214 B13R1.82 CSc1cccc(c1C)C(=O)NN 62a_200012298103_200000210301 [0,2,0,0,0,0|2,0,0]=4 3215 B13R1.82 Cc1c(cccc1C(=O)NN)S[13CH3] 62a_200012298103_200025704644 [0,2,0,0,0,0|2,0,0]=4 3216 B13R1.82 Cc1c(cccc1C(=O)NN)S[13CH3] 62a_200025704644_200012298103 [0,2,0,0,0,0|2,0,0]=4 3217 B13R1.82 N#Cc1cccc(c1O)C(=O)CF 1458a_100009886288_100015361967 [0,2,0,0,0,0|2,0,0]=4 3218 B13R1.107 CCC(=O)c1cccc(c1OC)Br 1458a_100000689802_100000210202 [0,2,0,0,0,0|2,0,0]=4 3219 B13R1.107 CCC(=O)c1cccc(c1OC)C 1458a_100000187929_100000210202 [0,2,0,0,0,0|2,0,0]=4 3220 B13R1.107 CCC(=O)c1cccc(c1OC)Cl 1458a_100011934004_100000210202 [0,2,0,0,0,0|2,0,0]=4 3221 B13R1.107 CCC(=O)c1cccc(c1OC)F 1458a_100011218433_100000210202 [0,2,0,0,0,0|2,0,0]=4 3222 B13R1.107 CCC(=O)c1cccc(c1OC)O 1458a_100000080799_100000210202 [0,2,0,0,0,0|2,0,0]=4 3223 B13R1.107 CCc1c(cccc1C(=O)NC)Br 11a_106832991635_100010125490 [0,2,0,0,0,0|2,0,0]=4 3224 B13R1.107 CCc1c(cccc1C(=O)NC)Br 1626a_100102657272_100010125490 [0,2,0,0,0,0|2,0,0]=4 3225 B13R1.107 CCc1c(cccc1C(=O)NC)Br 240690a_100102657272_100010125490 [0,2,0,0,0,0|2,0,0]=4 3226 B13R1.107 CCc1c(cccc1C(=O)NC)Br 527a_100102657272_100010125490 [0,2,0,0,0,0|2,0,0]=4 3227 B13R1.107 CNC(=O)c1cccc(c1C#N)F 240690a_100102657272_100000702252 [0,2,0,0,0,0|2,0,0]=4 3228 B13R1.107 CNC(=O)c1cccc(c1C#N)F 527a_100102657272_100000702252 [0,2,0,0,0,0|2,0,0]=4 3229 B13R1.107 CNC(=O)c1cccc(c1NC)C 34a_100000223168_200000210301 [0,2,0,0,0,0|2,0,0]=4 3230 B13R1.107 CNC(=O)c1cccc(c1NC)Cl 34a_200012181065_200000210301 [0,2,0,0,0,0|2,0,0]=4 3231 B13R1.107 CNC(=O)c1cccc(c1N[13CH3])C 34a_100000223168_200025704644 [0,2,0,0,0,0|2,0,0]=4 3232 B13R1.107 CNC(=O)c1cccc(c1N[13CH3])Cl 34a_200012181065_200025704644 [0,2,0,0,0,0|2,0,0]=4 3233 B13R1.107 CNC(=O)c1cccc(c1OC)Br 11a_106832991635_100000689802 [0,2,0,0,0,0|1,0,0]=3 3234 B13R1.107 CNC(=O)c1cccc(c1OC)Br 1626a_100102657272_100000689802 [0,2,0,0,0,0|1,0,0]=3 3235 B13R1.107 CNC(=O)c1cccc(c1OC)Br 240690a_100102657272_100000689802 [0,2,0,0,0,0|1,0,0]=3 3236 B13R1.107 CNC(=O)c1cccc(c1OC)Br 527a_100102657272_100000689802 [0,2,0,0,0,0|1,0,0]=3 3237 B13R1.107 CNC(=O)c1cccc(c1OC)C 11a_106832991635_100000187929 [0,2,0,0,0,0|1,0,0]=3 3238 B13R1.107 CNC(=O)c1cccc(c1OC)C 1626a_100102657272_100000187929 [0,2,0,0,0,0|1,0,0]=3 3239 B13R1.107 CNC(=O)c1cccc(c1OC)C 240690a_100102657272_100000187929 [0,2,0,0,0,0|1,0,0]=3 3240 B13R1.107 CNC(=O)c1cccc(c1OC)C 527a_100102657272_100000187929 [0,2,0,0,0,0|1,0,0]=3 3241 B13R1.107 CNC(=O)c1cccc(c1OC)Cl 11a_106832991635_100011934004 [0,2,0,0,0,0|1,0,0]=3 3242 B13R1.107 CNC(=O)c1cccc(c1OC)Cl 1626a_100102657272_100011934004 [0,2,0,0,0,0|1,0,0]=3 3243 B13R1.107 CNC(=O)c1cccc(c1OC)Cl 240690a_100102657272_100011934004 [0,2,0,0,0,0|1,0,0]=3 3244 B13R1.107 CNC(=O)c1cccc(c1OC)Cl 527a_100102657272_100011934004 [0,2,0,0,0,0|1,0,0]=3 3245 B13R1.107 CNC(=O)c1cccc(c1OC)F 11a_106832991635_100011218433 [0,2,0,0,0,0|1,0,0]=3 3246 B13R1.107 CNC(=O)c1cccc(c1OC)F 1626a_100102657272_100011218433 [0,2,0,0,0,0|1,0,0]=3 3247 B13R1.107 CNC(=O)c1cccc(c1OC)F 240690a_100102657272_100011218433 [0,2,0,0,0,0|1,0,0]=3 3248 B13R1.107 CNC(=O)c1cccc(c1OC)F 527a_100102657272_100011218433 [0,2,0,0,0,0|1,0,0]=3 3249 B13R1.107 COC(=O)c1cccc(c1OC)Br 34a_100009816214_200000210301 [0,2,0,0,0,0|2,0,0]=4 3250 B13R1.107 COC(=O)c1cccc(c1OC)C 34a_100000149854_200000210301 [0,2,0,0,0,0|2,0,0]=4 3251 B13R1.107 COC(=O)c1cccc(c1OC)C 7a_100000149854_200000210301 [0,2,0,0,0,0|2,0,0]=4 3252 B13R1.107 COC(=O)c1cccc(c1OC)Cl 34a_100000074923_200000210301 [0,2,0,0,0,0|2,0,0]=4 3253 B13R1.107 COC(=O)c1cccc(c1OC)Cl 7a_100000074923_200000210301 [0,2,0,0,0,0|2,0,0]=4 3254 B13R1.107 COC(=O)c1cccc(c1OC)F 34a_100000082593_200000210301 [0,2,0,0,0,0|2,0,0]=4 3255 B13R1.107 COC(=O)c1cccc(c1OC)F 7a_100000082593_200000210301 [0,2,0,0,0,0|2,0,0]=4 3256 B13R1.107 COC(=O)c1cccc(c1OC)N 34a_100000750886_200000210301 [0,2,0,0,0,0|2,0,0]=4 3257 B13R1.107 COC(=O)c1cccc(c1OC)O 271570a_203496583355_100010233336 [0,2,0,0,0,0|2,0,0]=4 3258 B13R1.107 COC(=O)c1cccc(c1O[13CH3])Br 34a_100009816214_200025704644 [0,2,0,0,0,0|2,0,0]=4 3259 B13R1.107 COC(=O)c1cccc(c1O[13CH3])C 34a_100000149854_200025704644 [0,2,0,0,0,0|2,0,0]=4 3260 B13R1.107 COC(=O)c1cccc(c1O[13CH3])C 7a_100000149854_200025704644 [0,2,0,0,0,0|2,0,0]=4 3261 B13R1.107 COC(=O)c1cccc(c1O[13CH3])Cl 34a_100000074923_200025704644 [0,2,0,0,0,0|2,0,0]=4 3262 B13R1.107 COC(=O)c1cccc(c1O[13CH3])Cl 7a_100000074923_200025704644 [0,2,0,0,0,0|2,0,0]=4 3263 B13R1.107 COC(=O)c1cccc(c1O[13CH3])F 34a_100000082593_200025704644 [0,2,0,0,0,0|2,0,0]=4 3264 B13R1.107 COC(=O)c1cccc(c1O[13CH3])F 7a_100000082593_200025704644 [0,2,0,0,0,0|2,0,0]=4 3265 B13R1.107 COC(=O)c1cccc(c1O[13CH3])N 34a_100000750886_200025704644 [0,2,0,0,0,0|2,0,0]=4 3266 B13R1.107 COc1c(cccc1C(=O)CF)Br 1458a_100000689802_100015361967 [0,2,0,0,0,0|2,0,0]=4 3267 B13R1.107 COc1c(cccc1C(=O)CF)C 1458a_100000187929_100015361967 [0,2,0,0,0,0|2,0,0]=4 3268 B13R1.107 COc1c(cccc1C(=O)CF)Cl 1458a_100011934004_100015361967 [0,2,0,0,0,0|2,0,0]=4 3269 B13R1.107 COc1c(cccc1C(=O)CF)F 1458a_100011218433_100015361967 [0,2,0,0,0,0|2,0,0]=4 3270 B13R1.107 COc1c(cccc1C(=O)CF)O 1458a_100000080799_100015361967 [0,2,0,0,0,0|2,0,0]=4 3271 B13R1.107 COc1c(cccc1C(=O)NN)C 34a_100000193353_200000210301 [0,2,0,0,0,0|1,0,0]=3 3272 B13R1.107 CSc1c(cccc1C(=O)NN)C 62a_200000210301_200012340524 [0,2,0,0,0,0|1,1,0]=4 3273 B13R1.107 CSc1c(cccc1C(=O)NN)C 62a_200012340524_200000210301 [0,2,0,0,0,0|1,1,0]=4 3274 B13R1.107 Cc1cccc(c1O[13CH3])C(=O)NN 34a_100000193353_200025704644 [0,2,0,0,0,0|1,0,0]=3 3275 B13R1.107 Cc1cccc(c1S[13CH3])C(=O)NN 62a_200012340524_200025704644 [0,2,0,0,0,0|1,1,0]=4 3276 B13R1.107 Cc1cccc(c1S[13CH3])C(=O)NN 62a_200025704644_200012340524 [0,2,0,0,0,0|1,1,0]=4 3277 B13R1.1808 CCC(=O)c1ccc(c(c1O)C)C 1458a_100000742916_100000210202 [0,2,0,0,0,0|2,0,0]=4 3278 B13R1.1808 CCC(=O)c1ccc(c(c1O)F)Br 1458a_100010761495_100000210202 [0,2,0,0,0,0|2,0,0]=4 3279 B13R1.1808 CCC(=O)c1ccc(c(c1O)F)F 1458a_100011799213_100000210202 [0,2,0,0,0,0|2,0,0]=4 3280 B13R1.1808 CCC(=O)c1ccc(c(c1O)O)O 1458a_100000037941_100000210202 [0,2,0,0,0,0|2,0,0]=4 3281 B13R1.1808 CNC(=O)c1ccc(c(c1Br)F)F 11a_106832991635_100012356454 [0,2,0,0,0,0|2,0,0]=4 3282 B13R1.1808 CNC(=O)c1ccc(c(c1Br)F)F 1626a_100102657272_100012356454 [0,2,0,0,0,0|2,0,0]=4 3283 B13R1.1808 CNC(=O)c1ccc(c(c1Br)F)F 240690a_100102657272_100012356454 [0,2,0,0,0,0|2,0,0]=4 3284 B13R1.1808 CNC(=O)c1ccc(c(c1Br)F)F 527a_100102657272_100012356454 [0,2,0,0,0,0|2,0,0]=4 3285 B13R1.1808 CNC(=O)c1ccc(c(c1Br)O)Br 240690a_100102657272_100016068111 [0,2,0,0,0,0|2,0,0]=4 3286 B13R1.1808 CNC(=O)c1ccc(c(c1Br)O)Br 527a_100102657272_100016068111 [0,2,0,0,0,0|2,0,0]=4 3287 B13R1.1808 CNC(=O)c1ccc(c(c1C)F)F 11a_106832991635_100000061971 [0,2,0,0,0,0|2,0,0]=4 3288 B13R1.1808 CNC(=O)c1ccc(c(c1C)F)F 1626a_100102657272_100000061971 [0,2,0,0,0,0|2,0,0]=4 3289 B13R1.1808 CNC(=O)c1ccc(c(c1C)F)F 240690a_100102657272_100000061971 [0,2,0,0,0,0|2,0,0]=4 3290 B13R1.1808 CNC(=O)c1ccc(c(c1C)F)F 527a_100102657272_100000061971 [0,2,0,0,0,0|2,0,0]=4 3291 B13R1.1808 CNC(=O)c1ccc(c(c1Cl)Br)Cl 11a_106832991635_100010208263 [0,2,0,0,0,0|2,0,0]=4 3292 B13R1.1808 CNC(=O)c1ccc(c(c1Cl)Br)Cl 1626a_100102657272_100010208263 [0,2,0,0,0,0|2,0,0]=4 3293 B13R1.1808 CNC(=O)c1ccc(c(c1Cl)Br)Cl 240690a_100102657272_100010208263 [0,2,0,0,0,0|2,0,0]=4 3294 B13R1.1808 CNC(=O)c1ccc(c(c1Cl)Br)Cl 527a_100102657272_100010208263 [0,2,0,0,0,0|2,0,0]=4 3295 B13R1.1808 CNC(=O)c1ccc(c(c1Cl)C)Cl 11a_106832991635_100010074829 [0,2,0,0,0,0|2,0,0]=4 3296 B13R1.1808 CNC(=O)c1ccc(c(c1Cl)C)Cl 1626a_100102657272_100010074829 [0,2,0,0,0,0|2,0,0]=4 3297 B13R1.1808 CNC(=O)c1ccc(c(c1Cl)C)Cl 240690a_100102657272_100010074829 [0,2,0,0,0,0|2,0,0]=4 3298 B13R1.1808 CNC(=O)c1ccc(c(c1Cl)C)Cl 527a_100102657272_100010074829 [0,2,0,0,0,0|2,0,0]=4 3299 B13R1.1808 CNC(=O)c1ccc(c(c1Cl)C)F 11a_106832991635_100000061447 [0,2,0,0,0,0|2,0,0]=4 3300 B13R1.1808 CNC(=O)c1ccc(c(c1Cl)C)F 1626a_100102657272_100000061447 [0,2,0,0,0,0|2,0,0]=4 3301 B13R1.1808 CNC(=O)c1ccc(c(c1Cl)C)F 240690a_100102657272_100000061447 [0,2,0,0,0,0|2,0,0]=4 3302 B13R1.1808 CNC(=O)c1ccc(c(c1Cl)C)F 527a_100102657272_100000061447 [0,2,0,0,0,0|2,0,0]=4 3303 B13R1.1808 CNC(=O)c1ccc(c(c1Cl)Cl)Br 11a_106832991635_200012347731 [0,2,0,0,0,0|2,0,0]=4 3304 B13R1.1808 CNC(=O)c1ccc(c(c1Cl)Cl)Br 1626a_100102657272_200012347731 [0,2,0,0,0,0|2,0,0]=4 3305 B13R1.1808 CNC(=O)c1ccc(c(c1Cl)Cl)Br 240690a_100102657272_200012347731 [0,2,0,0,0,0|2,0,0]=4 3306 B13R1.1808 CNC(=O)c1ccc(c(c1Cl)Cl)Br 527a_100102657272_200012347731 [0,2,0,0,0,0|2,0,0]=4 3307 B13R1.1808 CNC(=O)c1ccc(c(c1Cl)Cl)F 11a_106832991635_100010209669 [0,2,0,0,0,0|2,0,0]=4 3308 B13R1.1808 CNC(=O)c1ccc(c(c1Cl)Cl)F 1626a_100102657272_100010209669 [0,2,0,0,0,0|2,0,0]=4 3309 B13R1.1808 CNC(=O)c1ccc(c(c1Cl)Cl)F 240690a_100102657272_100010209669 [0,2,0,0,0,0|2,0,0]=4 3310 B13R1.1808 CNC(=O)c1ccc(c(c1Cl)Cl)F 527a_100102657272_100010209669 [0,2,0,0,0,0|2,0,0]=4 3311 B13R1.1808 CNC(=O)c1ccc(c(c1Cl)F)Cl 11a_106832991635_200010192171 [0,2,0,0,0,0|2,0,0]=4 3312 B13R1.1808 CNC(=O)c1ccc(c(c1Cl)F)Cl 1626a_100102657272_200010192171 [0,2,0,0,0,0|2,0,0]=4 3313 B13R1.1808 CNC(=O)c1ccc(c(c1Cl)F)Cl 240690a_100102657272_200010192171 [0,2,0,0,0,0|2,0,0]=4 3314 B13R1.1808 CNC(=O)c1ccc(c(c1Cl)F)Cl 527a_100102657272_200010192171 [0,2,0,0,0,0|2,0,0]=4 3315 B13R1.1808 CNC(=O)c1ccc(c(c1Cl)F)F 11a_106832991635_100009888510 [0,2,0,0,0,0|2,0,0]=4 3316 B13R1.1808 CNC(=O)c1ccc(c(c1Cl)F)F 1626a_100102657272_100009888510 [0,2,0,0,0,0|2,0,0]=4 3317 B13R1.1808 CNC(=O)c1ccc(c(c1Cl)F)F 240690a_100102657272_100009888510 [0,2,0,0,0,0|2,0,0]=4 3318 B13R1.1808 CNC(=O)c1ccc(c(c1Cl)F)F 527a_100102657272_100009888510 [0,2,0,0,0,0|2,0,0]=4 3319 B13R1.1808 CNC(=O)c1ccc(c(c1Cl)O)O 240690a_100102657272_100009910189 [0,2,0,0,0,0|2,0,0]=4 3320 B13R1.1808 CNC(=O)c1ccc(c(c1F)Br)Br 11a_106832991635_200016032200 [0,2,0,0,0,0|2,0,0]=4 3321 B13R1.1808 CNC(=O)c1ccc(c(c1F)Br)Br 1626a_100102657272_200016032200 [0,2,0,0,0,0|2,0,0]=4 3322 B13R1.1808 CNC(=O)c1ccc(c(c1F)Br)Br 240690a_100102657272_200016032200 [0,2,0,0,0,0|2,0,0]=4 3323 B13R1.1808 CNC(=O)c1ccc(c(c1F)Br)Br 527a_100102657272_200016032200 [0,2,0,0,0,0|2,0,0]=4 3324 B13R1.1808 CNC(=O)c1ccc(c(c1F)Br)F 11a_106832991635_100010204296 [0,2,0,0,0,0|2,0,0]=4 3325 B13R1.1808 CNC(=O)c1ccc(c(c1F)Br)F 1626a_100102657272_100010204296 [0,2,0,0,0,0|2,0,0]=4 3326 B13R1.1808 CNC(=O)c1ccc(c(c1F)Br)F 240690a_100102657272_100010204296 [0,2,0,0,0,0|2,0,0]=4 3327 B13R1.1808 CNC(=O)c1ccc(c(c1F)Br)F 527a_100102657272_100010204296 [0,2,0,0,0,0|2,0,0]=4 3328 B13R1.1808 CNC(=O)c1ccc(c(c1F)C)Br 11a_106832991635_100000722919 [0,2,0,0,0,0|2,0,0]=4 3329 B13R1.1808 CNC(=O)c1ccc(c(c1F)C)Br 1626a_100102657272_100000722919 [0,2,0,0,0,0|2,0,0]=4 3330 B13R1.1808 CNC(=O)c1ccc(c(c1F)C)Br 240690a_100102657272_100000722919 [0,2,0,0,0,0|2,0,0]=4 3331 B13R1.1808 CNC(=O)c1ccc(c(c1F)C)Br 527a_100102657272_100000722919 [0,2,0,0,0,0|2,0,0]=4 3332 B13R1.1808 CNC(=O)c1ccc(c(c1F)C)C 11a_106832991635_100010768504 [0,2,0,0,0,0|2,0,0]=4 3333 B13R1.1808 CNC(=O)c1ccc(c(c1F)C)C 1626a_100102657272_100010768504 [0,2,0,0,0,0|2,0,0]=4 3334 B13R1.1808 CNC(=O)c1ccc(c(c1F)C)C 240690a_100102657272_100010768504 [0,2,0,0,0,0|2,0,0]=4 3335 B13R1.1808 CNC(=O)c1ccc(c(c1F)C)C 527a_100102657272_100010768504 [0,2,0,0,0,0|2,0,0]=4 3336 B13R1.1808 CNC(=O)c1ccc(c(c1F)C)Cl 11a_106832991635_100012183103 [0,2,0,0,0,0|2,0,0]=4 3337 B13R1.1808 CNC(=O)c1ccc(c(c1F)C)Cl 1626a_100102657272_100012183103 [0,2,0,0,0,0|2,0,0]=4 3338 B13R1.1808 CNC(=O)c1ccc(c(c1F)C)Cl 240690a_100102657272_100012183103 [0,2,0,0,0,0|2,0,0]=4 3339 B13R1.1808 CNC(=O)c1ccc(c(c1F)C)Cl 527a_100102657272_100012183103 [0,2,0,0,0,0|2,0,0]=4 3340 B13R1.1808 CNC(=O)c1ccc(c(c1F)C)F 11a_106832991635_100000067293 [0,2,0,0,0,0|2,0,0]=4 3341 B13R1.1808 CNC(=O)c1ccc(c(c1F)C)F 1626a_100102657272_100000067293 [0,2,0,0,0,0|2,0,0]=4 3342 B13R1.1808 CNC(=O)c1ccc(c(c1F)C)F 240690a_100102657272_100000067293 [0,2,0,0,0,0|2,0,0]=4 3343 B13R1.1808 CNC(=O)c1ccc(c(c1F)C)F 527a_100102657272_100000067293 [0,2,0,0,0,0|2,0,0]=4 3344 B13R1.1808 CNC(=O)c1ccc(c(c1F)Cl)Br 11a_106832991635_100000719840 [0,2,0,0,0,0|2,0,0]=4 3345 B13R1.1808 CNC(=O)c1ccc(c(c1F)Cl)Br 1626a_100102657272_100000719840 [0,2,0,0,0,0|2,0,0]=4 3346 B13R1.1808 CNC(=O)c1ccc(c(c1F)Cl)Br 240690a_100102657272_100000719840 [0,2,0,0,0,0|2,0,0]=4 3347 B13R1.1808 CNC(=O)c1ccc(c(c1F)Cl)Br 527a_100102657272_100000719840 [0,2,0,0,0,0|2,0,0]=4 3348 B13R1.1808 CNC(=O)c1ccc(c(c1F)Cl)C 11a_106832991635_100000722910 [0,2,0,0,0,0|2,0,0]=4 3349 B13R1.1808 CNC(=O)c1ccc(c(c1F)Cl)C 1626a_100102657272_100000722910 [0,2,0,0,0,0|2,0,0]=4 3350 B13R1.1808 CNC(=O)c1ccc(c(c1F)Cl)C 240690a_100102657272_100000722910 [0,2,0,0,0,0|2,0,0]=4 3351 B13R1.1808 CNC(=O)c1ccc(c(c1F)Cl)C 527a_100102657272_100000722910 [0,2,0,0,0,0|2,0,0]=4 3352 B13R1.1808 CNC(=O)c1ccc(c(c1F)Cl)F 11a_106832991635_100000034381 [0,2,0,0,0,0|2,0,0]=4 3353 B13R1.1808 CNC(=O)c1ccc(c(c1F)Cl)F 1626a_100102657272_100000034381 [0,2,0,0,0,0|2,0,0]=4 3354 B13R1.1808 CNC(=O)c1ccc(c(c1F)Cl)F 240690a_100102657272_100000034381 [0,2,0,0,0,0|2,0,0]=4 3355 B13R1.1808 CNC(=O)c1ccc(c(c1F)Cl)F 527a_100102657272_100000034381 [0,2,0,0,0,0|2,0,0]=4 3356 B13R1.1808 CNC(=O)c1ccc(c(c1F)F)Br 11a_106832991635_100009816880 [0,2,0,0,0,0|2,0,0]=4 3357 B13R1.1808 CNC(=O)c1ccc(c(c1F)F)Br 1626a_100102657272_100009816880 [0,2,0,0,0,0|2,0,0]=4 3358 B13R1.1808 CNC(=O)c1ccc(c(c1F)F)Br 240690a_100102657272_100009816880 [0,2,0,0,0,0|2,0,0]=4 3359 B13R1.1808 CNC(=O)c1ccc(c(c1F)F)Br 527a_100102657272_100009816880 [0,2,0,0,0,0|2,0,0]=4 3360 B13R1.1808 CNC(=O)c1ccc(c(c1F)F)C 11a_106832991635_100011219789 [0,2,0,0,0,0|2,0,0]=4 3361 B13R1.1808 CNC(=O)c1ccc(c(c1F)F)C 1626a_100102657272_100011219789 [0,2,0,0,0,0|2,0,0]=4 3362 B13R1.1808 CNC(=O)c1ccc(c(c1F)F)C 240690a_100102657272_100011219789 [0,2,0,0,0,0|2,0,0]=4 3363 B13R1.1808 CNC(=O)c1ccc(c(c1F)F)C 527a_100102657272_100011219789 [0,2,0,0,0,0|2,0,0]=4 3364 B13R1.1808 CNC(=O)c1ccc(c(c1F)F)Cl 11a_106832991635_100000085317 [0,2,0,0,0,0|2,0,0]=4 3365 B13R1.1808 CNC(=O)c1ccc(c(c1F)F)Cl 1626a_100102657272_100000085317 [0,2,0,0,0,0|2,0,0]=4 3366 B13R1.1808 CNC(=O)c1ccc(c(c1F)F)Cl 240690a_100102657272_100000085317 [0,2,0,0,0,0|2,0,0]=4 3367 B13R1.1808 CNC(=O)c1ccc(c(c1F)F)Cl 527a_100102657272_100000085317 [0,2,0,0,0,0|2,0,0]=4 3368 B13R1.1808 CNC(=O)c1ccc(c(c1F)F)F 11a_106832991635_100000766628 [0,2,0,0,0,0|2,0,0]=4 3369 B13R1.1808 CNC(=O)c1ccc(c(c1F)F)F 1626a_100102657272_100000766628 [0,2,0,0,0,0|2,0,0]=4 3370 B13R1.1808 CNC(=O)c1ccc(c(c1F)F)F 240690a_100102657272_100000766628 [0,2,0,0,0,0|2,0,0]=4 3371 B13R1.1808 CNC(=O)c1ccc(c(c1F)F)F 527a_100102657272_100000766628 [0,2,0,0,0,0|2,0,0]=4 3372 B13R1.1808 CNC(=O)c1ccc(c(c1F)F)I 11a_106832991635_100010177778 [0,2,0,0,0,0|2,0,0]=4 3373 B13R1.1808 CNC(=O)c1ccc(c(c1F)F)I 1626a_100102657272_100010177778 [0,2,0,0,0,0|2,0,0]=4 3374 B13R1.1808 CNC(=O)c1ccc(c(c1F)F)I 240690a_100102657272_100010177778 [0,2,0,0,0,0|2,0,0]=4 3375 B13R1.1808 CNC(=O)c1ccc(c(c1F)F)I 527a_100102657272_100010177778 [0,2,0,0,0,0|2,0,0]=4 3376 B13R1.1808 CNC(=O)c1ccc(c(c1F)F)O 240690a_100102657272_100000036740 [0,2,0,0,0,0|2,0,0]=4 3377 B13R1.1808 CNC(=O)c1ccc(c(c1F)O)F 240690a_100102657272_100000084588 [0,2,0,0,0,0|2,0,0]=4 3378 B13R1.1808 CNC(=O)c1ccc(c(c1I)C)C 11a_106832991635_100010188221 [0,2,0,0,0,0|2,0,0]=4 3379 B13R1.1808 CNC(=O)c1ccc(c(c1I)C)C 1626a_100102657272_100010188221 [0,2,0,0,0,0|2,0,0]=4 3380 B13R1.1808 CNC(=O)c1ccc(c(c1I)C)C 240690a_100102657272_100010188221 [0,2,0,0,0,0|2,0,0]=4 3381 B13R1.1808 CNC(=O)c1ccc(c(c1I)C)C 527a_100102657272_100010188221 [0,2,0,0,0,0|2,0,0]=4 3382 B13R1.1808 CNC(=O)c1ccc(c(c1O)C)C 240690a_100102657272_100000742916 [0,2,0,0,0,0|1,0,0]=3 3383 B13R1.1808 CNC(=O)c1ccc(c(c1O)C)C 527a_100102657272_100000742916 [0,2,0,0,0,0|1,0,0]=3 3384 B13R1.1808 CNC(=O)c1ccc(c(c1O)F)Br 240690a_100102657272_100010761495 [0,2,0,0,0,0|1,0,0]=3 3385 B13R1.1808 CNC(=O)c1ccc(c(c1O)F)Br 527a_100102657272_100010761495 [0,2,0,0,0,0|1,0,0]=3 3386 B13R1.1808 CNC(=O)c1ccc(c(c1O)F)F 240690a_100102657272_100011799213 [0,2,0,0,0,0|1,0,0]=3 3387 B13R1.1808 COC(=O)c1ccc(c(c1O)F)F 271570a_203496583355_100010710315 [0,2,0,0,0,0|2,0,0]=4 3388 B13R1.1808 COC(=O)c1ccc(c(c1O)F)O 271570a_203496583355_100011092008 [0,2,0,0,0,0|2,0,0]=4 3389 B13R1.1808 Cc1ccc(c(c1C)O)C(=O)CF 1458a_100000742916_100015361967 [0,2,0,0,0,0|2,0,0]=4 3390 B13R1.1808 O=C(CF)c1ccc(c(c1O)F)Br 1458a_100010761495_100015361967 [0,2,0,0,0,0|2,0,0]=4 3391 B13R1.1808 O=C(CF)c1ccc(c(c1O)F)F 1458a_100011799213_100015361967 [0,2,0,0,0,0|2,0,0]=4 3392 B13R1.1808 O=C(CF)c1ccc(c(c1O)O)O 1458a_100000037941_100015361967 [0,2,0,0,0,0|2,0,0]=4 3393 B13R1.1822 CCC(=O)c1c(ccc(c1F)F)O 1458a_100000062415_100000210202 [0,2,0,0,0,0|2,0,0]=4 3394 B13R1.1822 CCC(=O)c1c(ccc(c1O)Br)O 1458a_100010008628_100000210202 [0,2,0,0,0,0|2,0,0]=4 3395 B13R1.1822 CCC(=O)c1c(ccc(c1O)C)C 1458a_100011255215_100000210202 [0,2,0,0,0,0|2,0,0]=4 3396 B13R1.1822 CCC(=O)c1c(ccc(c1O)Cl)Cl 1458a_100011255222_100000210202 [0,2,0,0,0,0|2,0,0]=4 3397 B13R1.1822 CCC(=O)c1c(ccc(c1O)Cl)O 1458a_100000080727_100000210202 [0,2,0,0,0,0|2,0,0]=4 3398 B13R1.1822 CCC(=O)c1c(ccc(c1O)F)F 1458a_100011830443_100000210202 [0,2,0,0,0,0|2,0,0]=4 3399 B13R1.1822 CNC(=O)c1c(ccc(c1Br)C)F 11a_106832991635_100000720849 [0,2,0,0,0,0|2,0,0]=4 3400 B13R1.1822 CNC(=O)c1c(ccc(c1Br)C)F 1626a_100102657272_100000720849 [0,2,0,0,0,0|2,0,0]=4 3401 B13R1.1822 CNC(=O)c1c(ccc(c1Br)C)F 240690a_100102657272_100000720849 [0,2,0,0,0,0|2,0,0]=4 3402 B13R1.1822 CNC(=O)c1c(ccc(c1Br)C)F 527a_100102657272_100000720849 [0,2,0,0,0,0|2,0,0]=4 3403 B13R1.1822 CNC(=O)c1c(ccc(c1Br)F)F 11a_106832991635_100010245744 [0,2,0,0,0,0|2,0,0]=4 3404 B13R1.1822 CNC(=O)c1c(ccc(c1Br)F)F 1626a_100102657272_100010245744 [0,2,0,0,0,0|2,0,0]=4 3405 B13R1.1822 CNC(=O)c1c(ccc(c1Br)F)F 240690a_100102657272_100010245744 [0,2,0,0,0,0|2,0,0]=4 3406 B13R1.1822 CNC(=O)c1c(ccc(c1Br)F)F 527a_100102657272_100010245744 [0,2,0,0,0,0|2,0,0]=4 3407 B13R1.1822 CNC(=O)c1c(ccc(c1C)Br)C 11a_106832991635_100012355652 [0,2,0,0,0,0|2,0,0]=4 3408 B13R1.1822 CNC(=O)c1c(ccc(c1C)Br)C 1626a_100102657272_100012355652 [0,2,0,0,0,0|2,0,0]=4 3409 B13R1.1822 CNC(=O)c1c(ccc(c1C)Br)C 240690a_100102657272_100012355652 [0,2,0,0,0,0|2,0,0]=4 3410 B13R1.1822 CNC(=O)c1c(ccc(c1C)Br)C 527a_100102657272_100012355652 [0,2,0,0,0,0|2,0,0]=4 3411 B13R1.1822 CNC(=O)c1c(ccc(c1C)Br)F 11a_106832991635_100010768519 [0,2,0,0,0,0|2,0,0]=4 3412 B13R1.1822 CNC(=O)c1c(ccc(c1C)Br)F 1626a_100102657272_100010768519 [0,2,0,0,0,0|2,0,0]=4 3413 B13R1.1822 CNC(=O)c1c(ccc(c1C)Br)F 240690a_100102657272_100010768519 [0,2,0,0,0,0|2,0,0]=4 3414 B13R1.1822 CNC(=O)c1c(ccc(c1C)Br)F 527a_100102657272_100010768519 [0,2,0,0,0,0|2,0,0]=4 3415 B13R1.1822 CNC(=O)c1c(ccc(c1C)F)Br 11a_106832991635_100010768524 [0,2,0,0,0,0|2,0,0]=4 3416 B13R1.1822 CNC(=O)c1c(ccc(c1C)F)Br 1626a_100102657272_100010768524 [0,2,0,0,0,0|2,0,0]=4 3417 B13R1.1822 CNC(=O)c1c(ccc(c1C)F)Br 240690a_100102657272_100010768524 [0,2,0,0,0,0|2,0,0]=4 3418 B13R1.1822 CNC(=O)c1c(ccc(c1C)F)Br 527a_100102657272_100010768524 [0,2,0,0,0,0|2,0,0]=4 3419 B13R1.1822 CNC(=O)c1c(ccc(c1Cl)Br)Cl 11a_106832991635_100012350121 [0,2,0,0,0,0|2,0,0]=4 3420 B13R1.1822 CNC(=O)c1c(ccc(c1Cl)Br)Cl 1626a_100102657272_100012350121 [0,2,0,0,0,0|2,0,0]=4 3421 B13R1.1822 CNC(=O)c1c(ccc(c1Cl)Br)Cl 240690a_100102657272_100012350121 [0,2,0,0,0,0|2,0,0]=4 3422 B13R1.1822 CNC(=O)c1c(ccc(c1Cl)Br)Cl 527a_100102657272_100012350121 [0,2,0,0,0,0|2,0,0]=4 3423 B13R1.1822 CNC(=O)c1c(ccc(c1Cl)Br)F 11a_106832991635_100010245877 [0,2,0,0,0,0|2,0,0]=4 3424 B13R1.1822 CNC(=O)c1c(ccc(c1Cl)Br)F 1626a_100102657272_100010245877 [0,2,0,0,0,0|2,0,0]=4 3425 B13R1.1822 CNC(=O)c1c(ccc(c1Cl)Br)F 240690a_100102657272_100010245877 [0,2,0,0,0,0|2,0,0]=4 3426 B13R1.1822 CNC(=O)c1c(ccc(c1Cl)Br)F 527a_100102657272_100010245877 [0,2,0,0,0,0|2,0,0]=4 3427 B13R1.1822 CNC(=O)c1c(ccc(c1Cl)C)Br 11a_106832991635_200010769262 [0,2,0,0,0,0|2,0,0]=4 3428 B13R1.1822 CNC(=O)c1c(ccc(c1Cl)C)Br 1626a_100102657272_200010769262 [0,2,0,0,0,0|2,0,0]=4 3429 B13R1.1822 CNC(=O)c1c(ccc(c1Cl)C)Br 240690a_100102657272_200010769262 [0,2,0,0,0,0|2,0,0]=4 3430 B13R1.1822 CNC(=O)c1c(ccc(c1Cl)C)Br 527a_100102657272_200010769262 [0,2,0,0,0,0|2,0,0]=4 3431 B13R1.1822 CNC(=O)c1c(ccc(c1Cl)C)F 11a_106832991635_100000036856 [0,2,0,0,0,0|2,0,0]=4 3432 B13R1.1822 CNC(=O)c1c(ccc(c1Cl)C)F 1626a_100102657272_100000036856 [0,2,0,0,0,0|2,0,0]=4 3433 B13R1.1822 CNC(=O)c1c(ccc(c1Cl)C)F 240690a_100102657272_100000036856 [0,2,0,0,0,0|2,0,0]=4 3434 B13R1.1822 CNC(=O)c1c(ccc(c1Cl)C)F 527a_100102657272_100000036856 [0,2,0,0,0,0|2,0,0]=4 3435 B13R1.1822 CNC(=O)c1c(ccc(c1Cl)Cl)Cl 11a_106832991635_100000182695 [0,2,0,0,0,0|2,0,0]=4 3436 B13R1.1822 CNC(=O)c1c(ccc(c1Cl)Cl)Cl 1626a_100102657272_100000182695 [0,2,0,0,0,0|2,0,0]=4 3437 B13R1.1822 CNC(=O)c1c(ccc(c1Cl)Cl)Cl 240690a_100102657272_100000182695 [0,2,0,0,0,0|2,0,0]=4 3438 B13R1.1822 CNC(=O)c1c(ccc(c1Cl)Cl)Cl 527a_100102657272_100000182695 [0,2,0,0,0,0|2,0,0]=4 3439 B13R1.1822 CNC(=O)c1c(ccc(c1Cl)Cl)F 11a_106832991635_100000061834 [0,2,0,0,0,0|2,0,0]=4 3440 B13R1.1822 CNC(=O)c1c(ccc(c1Cl)Cl)F 1626a_100102657272_100000061834 [0,2,0,0,0,0|2,0,0]=4 3441 B13R1.1822 CNC(=O)c1c(ccc(c1Cl)Cl)F 240690a_100102657272_100000061834 [0,2,0,0,0,0|2,0,0]=4 3442 B13R1.1822 CNC(=O)c1c(ccc(c1Cl)Cl)F 527a_100102657272_100000061834 [0,2,0,0,0,0|2,0,0]=4 3443 B13R1.1822 CNC(=O)c1c(ccc(c1Cl)F)Cl 11a_106832991635_100000068355 [0,2,0,0,0,0|2,0,0]=4 3444 B13R1.1822 CNC(=O)c1c(ccc(c1Cl)F)Cl 1626a_100102657272_100000068355 [0,2,0,0,0,0|2,0,0]=4 3445 B13R1.1822 CNC(=O)c1c(ccc(c1Cl)F)Cl 240690a_100102657272_100000068355 [0,2,0,0,0,0|2,0,0]=4 3446 B13R1.1822 CNC(=O)c1c(ccc(c1Cl)F)F 11a_106832991635_100000043044 [0,2,0,0,0,0|2,0,0]=4 3447 B13R1.1822 CNC(=O)c1c(ccc(c1Cl)F)F 1626a_100102657272_100000043044 [0,2,0,0,0,0|2,0,0]=4 3448 B13R1.1822 CNC(=O)c1c(ccc(c1Cl)F)F 240690a_100102657272_100000043044 [0,2,0,0,0,0|2,0,0]=4 3449 B13R1.1822 CNC(=O)c1c(ccc(c1Cl)F)F 527a_100102657272_100000043044 [0,2,0,0,0,0|2,0,0]=4 3450 B13R1.1822 CNC(=O)c1c(ccc(c1F)Br)Br 11a_106832991635_100010233042 [0,2,0,0,0,0|2,0,0]=4 3451 B13R1.1822 CNC(=O)c1c(ccc(c1F)Br)Br 240690a_100102657272_100010233042 [0,2,0,0,0,0|2,0,0]=4 3452 B13R1.1822 CNC(=O)c1c(ccc(c1F)Br)Br 527a_100102657272_100010233042 [0,2,0,0,0,0|2,0,0]=4 3453 B13R1.1822 CNC(=O)c1c(ccc(c1F)Br)Cl 11a_106832991635_100010235752 [0,2,0,0,0,0|2,0,0]=4 3454 B13R1.1822 CNC(=O)c1c(ccc(c1F)Br)Cl 1626a_100102657272_100010235752 [0,2,0,0,0,0|2,0,0]=4 3455 B13R1.1822 CNC(=O)c1c(ccc(c1F)Br)Cl 240690a_100102657272_100010235752 [0,2,0,0,0,0|2,0,0]=4 3456 B13R1.1822 CNC(=O)c1c(ccc(c1F)Br)Cl 527a_100102657272_100010235752 [0,2,0,0,0,0|2,0,0]=4 3457 B13R1.1822 CNC(=O)c1c(ccc(c1F)Br)F 11a_106832991635_100000721511 [0,2,0,0,0,0|2,0,0]=4 3458 B13R1.1822 CNC(=O)c1c(ccc(c1F)Br)F 1626a_100102657272_100000721511 [0,2,0,0,0,0|2,0,0]=4 3459 B13R1.1822 CNC(=O)c1c(ccc(c1F)Br)F 240690a_100102657272_100000721511 [0,2,0,0,0,0|2,0,0]=4 3460 B13R1.1822 CNC(=O)c1c(ccc(c1F)Br)F 527a_100102657272_100000721511 [0,2,0,0,0,0|2,0,0]=4 3461 B13R1.1822 CNC(=O)c1c(ccc(c1F)C)Br 11a_106832991635_100010271678 [0,2,0,0,0,0|2,0,0]=4 3462 B13R1.1822 CNC(=O)c1c(ccc(c1F)C)Br 1626a_100102657272_100010271678 [0,2,0,0,0,0|2,0,0]=4 3463 B13R1.1822 CNC(=O)c1c(ccc(c1F)C)Br 240690a_100102657272_100010271678 [0,2,0,0,0,0|2,0,0]=4 3464 B13R1.1822 CNC(=O)c1c(ccc(c1F)C)Br 527a_100102657272_100010271678 [0,2,0,0,0,0|2,0,0]=4 3465 B13R1.1822 CNC(=O)c1c(ccc(c1F)C)Cl 11a_106832991635_100000039063 [0,2,0,0,0,0|2,0,0]=4 3466 B13R1.1822 CNC(=O)c1c(ccc(c1F)C)Cl 1626a_100102657272_100000039063 [0,2,0,0,0,0|2,0,0]=4 3467 B13R1.1822 CNC(=O)c1c(ccc(c1F)C)Cl 240690a_100102657272_100000039063 [0,2,0,0,0,0|2,0,0]=4 3468 B13R1.1822 CNC(=O)c1c(ccc(c1F)C)Cl 527a_100102657272_100000039063 [0,2,0,0,0,0|2,0,0]=4 3469 B13R1.1822 CNC(=O)c1c(ccc(c1F)C)F 11a_106832991635_100000692215 [0,2,0,0,0,0|2,0,0]=4 3470 B13R1.1822 CNC(=O)c1c(ccc(c1F)C)F 1626a_100102657272_100000692215 [0,2,0,0,0,0|2,0,0]=4 3471 B13R1.1822 CNC(=O)c1c(ccc(c1F)C)F 240690a_100102657272_100000692215 [0,2,0,0,0,0|2,0,0]=4 3472 B13R1.1822 CNC(=O)c1c(ccc(c1F)C)F 527a_100102657272_100000692215 [0,2,0,0,0,0|2,0,0]=4 3473 B13R1.1822 CNC(=O)c1c(ccc(c1F)Cl)Br 11a_106832991635_100010769261 [0,2,0,0,0,0|2,0,0]=4 3474 B13R1.1822 CNC(=O)c1c(ccc(c1F)Cl)Br 1626a_100102657272_100010769261 [0,2,0,0,0,0|2,0,0]=4 3475 B13R1.1822 CNC(=O)c1c(ccc(c1F)Cl)Br 240690a_100102657272_100010769261 [0,2,0,0,0,0|2,0,0]=4 3476 B13R1.1822 CNC(=O)c1c(ccc(c1F)Cl)Br 527a_100102657272_100010769261 [0,2,0,0,0,0|2,0,0]=4 3477 B13R1.1822 CNC(=O)c1c(ccc(c1F)Cl)Cl 11a_106832991635_100000061686 [0,2,0,0,0,0|2,0,0]=4 3478 B13R1.1822 CNC(=O)c1c(ccc(c1F)Cl)Cl 1626a_100102657272_100000061686 [0,2,0,0,0,0|2,0,0]=4 3479 B13R1.1822 CNC(=O)c1c(ccc(c1F)Cl)Cl 240690a_100102657272_100000061686 [0,2,0,0,0,0|2,0,0]=4 3480 B13R1.1822 CNC(=O)c1c(ccc(c1F)Cl)Cl 527a_100102657272_100000061686 [0,2,0,0,0,0|2,0,0]=4 3481 B13R1.1822 CNC(=O)c1c(ccc(c1F)Cl)F 11a_106832991635_100011219569 [0,2,0,0,0,0|2,0,0]=4 3482 B13R1.1822 CNC(=O)c1c(ccc(c1F)Cl)F 1626a_100102657272_100011219569 [0,2,0,0,0,0|2,0,0]=4 3483 B13R1.1822 CNC(=O)c1c(ccc(c1F)Cl)F 240690a_100102657272_100011219569 [0,2,0,0,0,0|2,0,0]=4 3484 B13R1.1822 CNC(=O)c1c(ccc(c1F)Cl)F 527a_100102657272_100011219569 [0,2,0,0,0,0|2,0,0]=4 3485 B13R1.1822 CNC(=O)c1c(ccc(c1F)F)Br 11a_106832991635_100010177765 [0,2,0,0,0,0|2,0,0]=4 3486 B13R1.1822 CNC(=O)c1c(ccc(c1F)F)Br 1626a_100102657272_100010177765 [0,2,0,0,0,0|2,0,0]=4 3487 B13R1.1822 CNC(=O)c1c(ccc(c1F)F)Br 240690a_100102657272_100010177765 [0,2,0,0,0,0|2,0,0]=4 3488 B13R1.1822 CNC(=O)c1c(ccc(c1F)F)Br 527a_100102657272_100010177765 [0,2,0,0,0,0|2,0,0]=4 3489 B13R1.1822 CNC(=O)c1c(ccc(c1F)F)Cl 11a_106832991635_100011998153 [0,2,0,0,0,0|2,0,0]=4 3490 B13R1.1822 CNC(=O)c1c(ccc(c1F)F)Cl 1626a_100102657272_100011998153 [0,2,0,0,0,0|2,0,0]=4 3491 B13R1.1822 CNC(=O)c1c(ccc(c1F)F)Cl 240690a_100102657272_100011998153 [0,2,0,0,0,0|2,0,0]=4 3492 B13R1.1822 CNC(=O)c1c(ccc(c1F)F)Cl 527a_100102657272_100011998153 [0,2,0,0,0,0|2,0,0]=4 3493 B13R1.1822 CNC(=O)c1c(ccc(c1F)F)F 11a_106832991635_100000031524 [0,2,0,0,0,0|2,0,0]=4 3494 B13R1.1822 CNC(=O)c1c(ccc(c1F)F)F 1626a_100102657272_100000031524 [0,2,0,0,0,0|2,0,0]=4 3495 B13R1.1822 CNC(=O)c1c(ccc(c1F)F)F 240690a_100102657272_100000031524 [0,2,0,0,0,0|2,0,0]=4 3496 B13R1.1822 CNC(=O)c1c(ccc(c1F)F)F 527a_100102657272_100000031524 [0,2,0,0,0,0|2,0,0]=4 3497 B13R1.1822 CNC(=O)c1c(ccc(c1F)F)I 11a_106832991635_100010177766 [0,2,0,0,0,0|2,0,0]=4 3498 B13R1.1822 CNC(=O)c1c(ccc(c1F)F)I 1626a_100102657272_100010177766 [0,2,0,0,0,0|2,0,0]=4 3499 B13R1.1822 CNC(=O)c1c(ccc(c1F)F)I 240690a_100102657272_100010177766 [0,2,0,0,0,0|2,0,0]=4 3500 B13R1.1822 CNC(=O)c1c(ccc(c1F)F)I 527a_100102657272_100010177766 [0,2,0,0,0,0|2,0,0]=4 3501 B13R1.1822 CNC(=O)c1c(ccc(c1F)F)O 240690a_100102657272_100000062415 [0,2,0,0,0,0|1,0,0]=3 3502 B13R1.1822 CNC(=O)c1c(ccc(c1F)F)O 527a_100102657272_100000062415 [0,2,0,0,0,0|1,0,0]=3 3503 B13R1.1822 CNC(=O)c1c(ccc(c1F)I)Br 11a_106832991635_100010782274 [0,2,0,0,0,0|2,0,0]=4 3504 B13R1.1822 CNC(=O)c1c(ccc(c1F)I)Br 1626a_100102657272_100010782274 [0,2,0,0,0,0|2,0,0]=4 3505 B13R1.1822 CNC(=O)c1c(ccc(c1F)I)Br 240690a_100102657272_100010782274 [0,2,0,0,0,0|2,0,0]=4 3506 B13R1.1822 CNC(=O)c1c(ccc(c1F)I)Br 527a_100102657272_100010782274 [0,2,0,0,0,0|2,0,0]=4 3507 B13R1.1822 CNC(=O)c1c(ccc(c1F)I)Cl 11a_106832991635_100021583479 [0,2,0,0,0,0|2,0,0]=4 3508 B13R1.1822 CNC(=O)c1c(ccc(c1F)I)Cl 1626a_100102657272_100021583479 [0,2,0,0,0,0|2,0,0]=4 3509 B13R1.1822 CNC(=O)c1c(ccc(c1F)I)Cl 240690a_100102657272_100021583479 [0,2,0,0,0,0|2,0,0]=4 3510 B13R1.1822 CNC(=O)c1c(ccc(c1F)I)Cl 527a_100102657272_100021583479 [0,2,0,0,0,0|2,0,0]=4 3511 B13R1.1822 CNC(=O)c1c(ccc(c1F)I)F 11a_106832991635_100012359589 [0,2,0,0,0,0|2,0,0]=4 3512 B13R1.1822 CNC(=O)c1c(ccc(c1F)I)F 1626a_100102657272_100012359589 [0,2,0,0,0,0|2,0,0]=4 3513 B13R1.1822 CNC(=O)c1c(ccc(c1F)I)F 240690a_100102657272_100012359589 [0,2,0,0,0,0|2,0,0]=4 3514 B13R1.1822 CNC(=O)c1c(ccc(c1F)I)F 527a_100102657272_100012359589 [0,2,0,0,0,0|2,0,0]=4 3515 B13R1.1822 CNC(=O)c1c(ccc(c1F)O)F 240690a_100102657272_100000068660 [0,2,0,0,0,0|2,0,0]=4 3516 B13R1.1822 CNC(=O)c1c(ccc(c1F)O)F 527a_100102657272_100000068660 [0,2,0,0,0,0|2,0,0]=4 3517 B13R1.1822 CNC(=O)c1c(ccc(c1O)Br)O 240690a_100102657272_100010008628 [0,2,0,0,0,0|1,0,0]=3 3518 B13R1.1822 CNC(=O)c1c(ccc(c1O)Br)O 527a_100102657272_100010008628 [0,2,0,0,0,0|1,0,0]=3 3519 B13R1.1822 CNC(=O)c1c(ccc(c1O)C)C 240690a_100102657272_100011255215 [0,2,0,0,0,0|1,0,0]=3 3520 B13R1.1822 CNC(=O)c1c(ccc(c1O)Cl)Cl 240690a_100102657272_100011255222 [0,2,0,0,0,0|1,0,0]=3 3521 B13R1.1822 CNC(=O)c1c(ccc(c1O)Cl)Cl 527a_100102657272_100011255222 [0,2,0,0,0,0|1,0,0]=3 3522 B13R1.1822 CNC(=O)c1c(ccc(c1O)Cl)O 240690a_100102657272_100000080727 [0,2,0,0,0,0|1,0,0]=3 3523 B13R1.1822 CNC(=O)c1c(ccc(c1O)Cl)O 527a_100102657272_100000080727 [0,2,0,0,0,0|1,0,0]=3 3524 B13R1.1822 CNC(=O)c1c(ccc(c1O)F)F 240690a_100102657272_100011830443 [0,2,0,0,0,0|1,0,0]=3 3525 B13R1.1822 CNC(=O)c1c(ccc(c1O)F)F 527a_100102657272_100011830443 [0,2,0,0,0,0|1,0,0]=3 3526 B13R1.1822 COC(=O)c1c(ccc(c1C)F)O 271570a_203496583355_100015681208 [0,2,0,0,0,0|2,0,0]=4 3527 B13R1.1822 COC(=O)c1c(ccc(c1C)N)O 271570a_203496583355_100000718917 [0,2,0,0,0,0|2,0,0]=4 3528 B13R1.1822 COC(=O)c1c(ccc(c1C)O)O 271570a_203496583355_100010074912 [0,2,0,0,0,0|2,0,0]=4 3529 B13R1.1822 COC(=O)c1c(ccc(c1F)Br)O 271570a_203496583355_100015883209 [0,2,0,0,0,0|2,0,0]=4 3530 B13R1.1822 COC(=O)c1c(ccc(c1F)C)O 271570a_203496583355_100010782293 [0,2,0,0,0,0|2,0,0]=4 3531 B13R1.1822 COC(=O)c1c(ccc(c1O)F)F 271570a_203496583355_100011071027 [0,2,0,0,0,0|2,0,0]=4 3532 B13R1.1822 Cc1ccc(c(c1O)C(=O)CF)C 1458a_100011255215_100015361967 [0,2,0,0,0,0|2,0,0]=4 3533 B13R1.1822 O=C(CF)c1c(ccc(c1F)F)O 1458a_100000062415_100015361967 [0,2,0,0,0,0|2,0,0]=4 3534 B13R1.1822 O=C(CF)c1c(ccc(c1O)Br)O 1458a_100010008628_100015361967 [0,2,0,0,0,0|2,0,0]=4 3535 B13R1.1822 O=C(CF)c1c(ccc(c1O)Cl)Cl 1458a_100011255222_100015361967 [0,2,0,0,0,0|2,0,0]=4 3536 B13R1.1822 O=C(CF)c1c(ccc(c1O)Cl)O 1458a_100000080727_100015361967 [0,2,0,0,0,0|2,0,0]=4 3537 B13R1.1822 O=C(CF)c1c(ccc(c1O)F)F 1458a_100011830443_100015361967 [0,2,0,0,0,0|2,0,0]=4 3538 B13R1.3768 CC(C)C(=O)c1cccc(c1O)Br 1458a_100000752940_100000210206 [0,2,0,0,0,0|2,0,0]=4 3539 B13R1.3768 CC(C)C(=O)c1cccc(c1O)Cl 1458a_100000742801_100000210206 [0,2,0,0,0,0|2,0,0]=4 3540 B13R1.3768 CC(C)C(=O)c1cccc(c1O)F 1458a_100011217230_100000210206 [0,2,0,0,0,0|2,0,0]=4 3541 B13R1.3768 CC(C)C(=O)c1cccc(c1O)O 1458a_100000690420_100000210206 [0,2,0,0,0,0|2,0,0]=4 3542 B13R1.3768 CN(C)C(=O)c1cccc(c1Br)Br 11a_100102631434_100012360534 [0,2,0,0,0,0|2,0,0]=4 3543 B13R1.3768 CN(C)C(=O)c1cccc(c1Br)Br 1626a_100102631434_100012360534 [0,2,0,0,0,0|2,0,0]=4 3544 B13R1.3768 CN(C)C(=O)c1cccc(c1Br)Br 240690a_100102631434_100012360534 [0,2,0,0,0,0|2,0,0]=4 3545 B13R1.3768 CN(C)C(=O)c1cccc(c1Br)Br 527a_100102631434_100012360534 [0,2,0,0,0,0|2,0,0]=4 3546 B13R1.3768 CN(C)C(=O)c1cccc(c1Br)Cl 11a_100102631434_100012339722 [0,2,0,0,0,0|2,0,0]=4 3547 B13R1.3768 CN(C)C(=O)c1cccc(c1Br)Cl 1626a_100102631434_100012339722 [0,2,0,0,0,0|2,0,0]=4 3548 B13R1.3768 CN(C)C(=O)c1cccc(c1Br)Cl 240690a_100102631434_100012339722 [0,2,0,0,0,0|2,0,0]=4 3549 B13R1.3768 CN(C)C(=O)c1cccc(c1Br)Cl 527a_100102631434_100012339722 [0,2,0,0,0,0|2,0,0]=4 3550 B13R1.3768 CN(C)C(=O)c1cccc(c1Br)F 11a_100102631434_100011217547 [0,2,0,0,0,0|2,0,0]=4 3551 B13R1.3768 CN(C)C(=O)c1cccc(c1Br)F 1626a_100102631434_100011217547 [0,2,0,0,0,0|2,0,0]=4 3552 B13R1.3768 CN(C)C(=O)c1cccc(c1Br)F 240690a_100102631434_100011217547 [0,2,0,0,0,0|2,0,0]=4 3553 B13R1.3768 CN(C)C(=O)c1cccc(c1Br)F 527a_100102631434_100011217547 [0,2,0,0,0,0|2,0,0]=4 3554 B13R1.3768 CN(C)C(=O)c1cccc(c1Br)I 11a_100102631434_100010232522 [0,2,0,0,0,0|2,0,0]=4 3555 B13R1.3768 CN(C)C(=O)c1cccc(c1Br)I 1626a_100102631434_100010232522 [0,2,0,0,0,0|2,0,0]=4 3556 B13R1.3768 CN(C)C(=O)c1cccc(c1Br)I 240690a_100102631434_100010232522 [0,2,0,0,0,0|2,0,0]=4 3557 B13R1.3768 CN(C)C(=O)c1cccc(c1Br)I 527a_100102631434_100010232522 [0,2,0,0,0,0|2,0,0]=4 3558 B13R1.3768 CN(C)C(=O)c1cccc(c1Br)O 240690a_100102631434_100010230362 [0,2,0,0,0,0|2,0,0]=4 3559 B13R1.3768 CN(C)C(=O)c1cccc(c1Br)O 527a_100102631434_100010230362 [0,2,0,0,0,0|2,0,0]=4 3560 B13R1.3768 CN(C)C(=O)c1cccc(c1Cl)Br 11a_100102631434_100000760540 [0,2,0,0,0,0|2,0,0]=4 3561 B13R1.3768 CN(C)C(=O)c1cccc(c1Cl)Br 1626a_100102631434_100000760540 [0,2,0,0,0,0|2,0,0]=4 3562 B13R1.3768 CN(C)C(=O)c1cccc(c1Cl)Br 240690a_100102631434_100000760540 [0,2,0,0,0,0|2,0,0]=4 3563 B13R1.3768 CN(C)C(=O)c1cccc(c1Cl)Br 527a_100102631434_100000760540 [0,2,0,0,0,0|2,0,0]=4 3564 B13R1.3768 CN(C)C(=O)c1cccc(c1Cl)Cl 11a_100102631434_100000183631 [0,2,0,0,0,0|2,0,0]=4 3565 B13R1.3768 CN(C)C(=O)c1cccc(c1Cl)Cl 1626a_100102631434_100000183631 [0,2,0,0,0,0|2,0,0]=4 3566 B13R1.3768 CN(C)C(=O)c1cccc(c1Cl)Cl 240690a_100102631434_100000183631 [0,2,0,0,0,0|2,0,0]=4 3567 B13R1.3768 CN(C)C(=O)c1cccc(c1Cl)Cl 527a_100102631434_100000183631 [0,2,0,0,0,0|2,0,0]=4 3568 B13R1.3768 CN(C)C(=O)c1cccc(c1Cl)F 11a_100102631434_100000759904 [0,2,0,0,0,0|2,0,0]=4 3569 B13R1.3768 CN(C)C(=O)c1cccc(c1Cl)F 1626a_100102631434_100000759904 [0,2,0,0,0,0|2,0,0]=4 3570 B13R1.3768 CN(C)C(=O)c1cccc(c1Cl)F 240690a_100102631434_100000759904 [0,2,0,0,0,0|2,0,0]=4 3571 B13R1.3768 CN(C)C(=O)c1cccc(c1Cl)F 527a_100102631434_100000759904 [0,2,0,0,0,0|2,0,0]=4 3572 B13R1.3768 CN(C)C(=O)c1cccc(c1Cl)I 11a_100102631434_100010176783 [0,2,0,0,0,0|2,0,0]=4 3573 B13R1.3768 CN(C)C(=O)c1cccc(c1Cl)I 1626a_100102631434_100010176783 [0,2,0,0,0,0|2,0,0]=4 3574 B13R1.3768 CN(C)C(=O)c1cccc(c1Cl)I 240690a_100102631434_100010176783 [0,2,0,0,0,0|2,0,0]=4 3575 B13R1.3768 CN(C)C(=O)c1cccc(c1Cl)I 527a_100102631434_100010176783 [0,2,0,0,0,0|2,0,0]=4 3576 B13R1.3768 CN(C)C(=O)c1cccc(c1Cl)O 240690a_100102631434_100000092362 [0,2,0,0,0,0|2,0,0]=4 3577 B13R1.3768 CN(C)C(=O)c1cccc(c1Cl)O 527a_100102631434_100000092362 [0,2,0,0,0,0|2,0,0]=4 3578 B13R1.3768 CN(C)C(=O)c1cccc(c1F)Br 11a_100102631434_100000756403 [0,2,0,0,0,0|2,0,0]=4 3579 B13R1.3768 CN(C)C(=O)c1cccc(c1F)Br 1626a_100102631434_100000756403 [0,2,0,0,0,0|2,0,0]=4 3580 B13R1.3768 CN(C)C(=O)c1cccc(c1F)Br 240690a_100102631434_100000756403 [0,2,0,0,0,0|2,0,0]=4 3581 B13R1.3768 CN(C)C(=O)c1cccc(c1F)Br 527a_100102631434_100000756403 [0,2,0,0,0,0|2,0,0]=4 3582 B13R1.3768 CN(C)C(=O)c1cccc(c1F)Cl 11a_100102631434_100000688816 [0,2,0,0,0,0|2,0,0]=4 3583 B13R1.3768 CN(C)C(=O)c1cccc(c1F)Cl 1626a_100102631434_100000688816 [0,2,0,0,0,0|2,0,0]=4 3584 B13R1.3768 CN(C)C(=O)c1cccc(c1F)Cl 240690a_100102631434_100000688816 [0,2,0,0,0,0|2,0,0]=4 3585 B13R1.3768 CN(C)C(=O)c1cccc(c1F)Cl 527a_100102631434_100000688816 [0,2,0,0,0,0|2,0,0]=4 3586 B13R1.3768 CN(C)C(=O)c1cccc(c1F)F 11a_100102631434_100000748134 [0,2,0,0,0,0|2,0,0]=4 3587 B13R1.3768 CN(C)C(=O)c1cccc(c1F)F 1626a_100102631434_100000748134 [0,2,0,0,0,0|2,0,0]=4 3588 B13R1.3768 CN(C)C(=O)c1cccc(c1F)F 240690a_100102631434_100000748134 [0,2,0,0,0,0|2,0,0]=4 3589 B13R1.3768 CN(C)C(=O)c1cccc(c1F)F 527a_100102631434_100000748134 [0,2,0,0,0,0|2,0,0]=4 3590 B13R1.3768 CN(C)C(=O)c1cccc(c1F)I 11a_100102631434_100010185205 [0,2,0,0,0,0|2,0,0]=4 3591 B13R1.3768 CN(C)C(=O)c1cccc(c1F)I 1626a_100102631434_100010185205 [0,2,0,0,0,0|2,0,0]=4 3592 B13R1.3768 CN(C)C(=O)c1cccc(c1F)I 240690a_100102631434_100010185205 [0,2,0,0,0,0|2,0,0]=4 3593 B13R1.3768 CN(C)C(=O)c1cccc(c1F)I 527a_100102631434_100010185205 [0,2,0,0,0,0|2,0,0]=4 3594 B13R1.3768 CN(C)C(=O)c1cccc(c1F)O 240690a_100102631434_100000037433 [0,2,0,0,0,0|2,0,0]=4 3595 B13R1.3768 CN(C)C(=O)c1cccc(c1F)O 271570a_203496583355_100014069087 [0,2,0,0,0,0|2,0,0]=4 3596 B13R1.3768 CN(C)C(=O)c1cccc(c1F)O 527a_100102631434_100000037433 [0,2,0,0,0,0|2,0,0]=4 3597 B13R1.3768 CN(C)C(=O)c1cccc(c1I)Br 11a_100102631434_100000688019 [0,2,0,0,0,0|2,0,0]=4 3598 B13R1.3768 CN(C)C(=O)c1cccc(c1I)Br 1626a_100102631434_100000688019 [0,2,0,0,0,0|2,0,0]=4 3599 B13R1.3768 CN(C)C(=O)c1cccc(c1I)Br 240690a_100102631434_100000688019 [0,2,0,0,0,0|2,0,0]=4 3600 B13R1.3768 CN(C)C(=O)c1cccc(c1I)Br 527a_100102631434_100000688019 [0,2,0,0,0,0|2,0,0]=4 3601 B13R1.3768 CN(C)C(=O)c1cccc(c1I)Cl 11a_100102631434_100010176784 [0,2,0,0,0,0|2,0,0]=4 3602 B13R1.3768 CN(C)C(=O)c1cccc(c1I)Cl 1626a_100102631434_100010176784 [0,2,0,0,0,0|2,0,0]=4 3603 B13R1.3768 CN(C)C(=O)c1cccc(c1I)Cl 240690a_100102631434_100010176784 [0,2,0,0,0,0|2,0,0]=4 3604 B13R1.3768 CN(C)C(=O)c1cccc(c1I)Cl 527a_100102631434_100010176784 [0,2,0,0,0,0|2,0,0]=4 3605 B13R1.3768 CN(C)C(=O)c1cccc(c1I)F 11a_100102631434_100000690930 [0,2,0,0,0,0|2,0,0]=4 3606 B13R1.3768 CN(C)C(=O)c1cccc(c1I)F 1626a_100102631434_100000690930 [0,2,0,0,0,0|2,0,0]=4 3607 B13R1.3768 CN(C)C(=O)c1cccc(c1I)F 240690a_100102631434_100000690930 [0,2,0,0,0,0|2,0,0]=4 3608 B13R1.3768 CN(C)C(=O)c1cccc(c1I)F 527a_100102631434_100000690930 [0,2,0,0,0,0|2,0,0]=4 3609 B13R1.3768 CN(C)C(=O)c1cccc(c1I)O 527a_100102631434_100010084636 [0,2,0,0,0,0|2,0,0]=4 3610 B13R1.3768 CN(C)C(=O)c1cccc(c1O)Br 240690a_100102631434_100000752940 [0,2,0,0,0,0|1,0,0]=3 3611 B13R1.3768 CN(C)C(=O)c1cccc(c1O)Br 527a_100102631434_100000752940 [0,2,0,0,0,0|1,0,0]=3 3612 B13R1.3768 CN(C)C(=O)c1cccc(c1O)Cl 240690a_100102631434_100000742801 [0,2,0,0,0,0|1,0,0]=3 3613 B13R1.3768 CN(C)C(=O)c1cccc(c1O)Cl 527a_100102631434_100000742801 [0,2,0,0,0,0|1,0,0]=3 3614 B13R1.3768 CN(C)C(=O)c1cccc(c1O)F 240690a_100102631434_100011217230 [0,2,0,0,0,0|1,0,0]=3 3615 B13R1.3768 CN(C)C(=O)c1cccc(c1O)F 527a_100102631434_100011217230 [0,2,0,0,0,0|1,0,0]=3 3616 B13R1.3768 CN(C)C(=O)c1cccc(c1O)O 527a_100102631434_100000690420 [0,2,0,0,0,0|1,0,0]=3 3617 B13R1.3768 Cc1c(cccc1C(=O)N(C)C)Br 11a_100102631434_100000760464 [0,2,0,0,0,0|2,0,0]=4 3618 B13R1.3768 Cc1c(cccc1C(=O)N(C)C)Br 1626a_100102631434_100000760464 [0,2,0,0,0,0|2,0,0]=4 3619 B13R1.3768 Cc1c(cccc1C(=O)N(C)C)Br 240690a_100102631434_100000760464 [0,2,0,0,0,0|2,0,0]=4 3620 B13R1.3768 Cc1c(cccc1C(=O)N(C)C)Br 527a_100102631434_100000760464 [0,2,0,0,0,0|2,0,0]=4 3621 B13R1.3768 Cc1c(cccc1C(=O)N(C)C)Cl 11a_100102631434_100000690184 [0,2,0,0,0,0|2,0,0]=4 3622 B13R1.3768 Cc1c(cccc1C(=O)N(C)C)Cl 1626a_100102631434_100000690184 [0,2,0,0,0,0|2,0,0]=4 3623 B13R1.3768 Cc1c(cccc1C(=O)N(C)C)Cl 240690a_100102631434_100000690184 [0,2,0,0,0,0|2,0,0]=4 3624 B13R1.3768 Cc1c(cccc1C(=O)N(C)C)Cl 527a_100102631434_100000690184 [0,2,0,0,0,0|2,0,0]=4 3625 B13R1.3768 Cc1c(cccc1C(=O)N(C)C)F 11a_100102631434_100011218272 [0,2,0,0,0,0|2,0,0]=4 3626 B13R1.3768 Cc1c(cccc1C(=O)N(C)C)F 1626a_100102631434_100011218272 [0,2,0,0,0,0|2,0,0]=4 3627 B13R1.3768 Cc1c(cccc1C(=O)N(C)C)F 240690a_100102631434_100011218272 [0,2,0,0,0,0|2,0,0]=4 3628 B13R1.3768 Cc1c(cccc1C(=O)N(C)C)F 527a_100102631434_100011218272 [0,2,0,0,0,0|2,0,0]=4 3629 B13R1.3768 Cc1c(cccc1C(=O)N(C)C)I 11a_100102631434_100000751865 [0,2,0,0,0,0|2,0,0]=4 3630 B13R1.3768 Cc1c(cccc1C(=O)N(C)C)I 1626a_100102631434_100000751865 [0,2,0,0,0,0|2,0,0]=4 3631 B13R1.3768 Cc1c(cccc1C(=O)N(C)C)I 240690a_100102631434_100000751865 [0,2,0,0,0,0|2,0,0]=4 3632 B13R1.3768 Cc1c(cccc1C(=O)N(C)C)I 527a_100102631434_100000751865 [0,2,0,0,0,0|2,0,0]=4 3633 B13R1.3768 Cc1c(cccc1C(=O)N(C)C)O 240690a_100102631434_100000766327 [0,2,0,0,0,0|2,0,0]=4 3634 B13R1.3768 Cc1c(cccc1C(=O)N(C)C)O 527a_100102631434_100000766327 [0,2,0,0,0,0|2,0,0]=4 3635 B13R1.3768 Cc1cccc(c1Br)C(=O)N(C)C 11a_100102631434_100000692419 [0,2,0,0,0,0|2,0,0]=4 3636 B13R1.3768 Cc1cccc(c1Br)C(=O)N(C)C 1626a_100102631434_100000692419 [0,2,0,0,0,0|2,0,0]=4 3637 B13R1.3768 Cc1cccc(c1Br)C(=O)N(C)C 240690a_100102631434_100000692419 [0,2,0,0,0,0|2,0,0]=4 3638 B13R1.3768 Cc1cccc(c1Br)C(=O)N(C)C 527a_100102631434_100000692419 [0,2,0,0,0,0|2,0,0]=4 3639 B13R1.3768 Cc1cccc(c1C)C(=O)N(C)C 11a_100102631434_100000183679 [0,2,0,0,0,0|2,0,0]=4 3640 B13R1.3768 Cc1cccc(c1C)C(=O)N(C)C 1626a_100102631434_100000183679 [0,2,0,0,0,0|2,0,0]=4 3641 B13R1.3768 Cc1cccc(c1C)C(=O)N(C)C 240690a_100102631434_100000183679 [0,2,0,0,0,0|2,0,0]=4 3642 B13R1.3768 Cc1cccc(c1C)C(=O)N(C)C 527a_100102631434_100000183679 [0,2,0,0,0,0|2,0,0]=4 3643 B13R1.3768 Cc1cccc(c1Cl)C(=O)N(C)C 11a_100102631434_100000693142 [0,2,0,0,0,0|2,0,0]=4 3644 B13R1.3768 Cc1cccc(c1Cl)C(=O)N(C)C 1626a_100102631434_100000693142 [0,2,0,0,0,0|2,0,0]=4 3645 B13R1.3768 Cc1cccc(c1Cl)C(=O)N(C)C 240690a_100102631434_100000693142 [0,2,0,0,0,0|2,0,0]=4 3646 B13R1.3768 Cc1cccc(c1Cl)C(=O)N(C)C 527a_100102631434_100000693142 [0,2,0,0,0,0|2,0,0]=4 3647 B13R1.3768 Cc1cccc(c1F)C(=O)N(C)C 11a_100102631434_100000766181 [0,2,0,0,0,0|2,0,0]=4 3648 B13R1.3768 Cc1cccc(c1F)C(=O)N(C)C 1626a_100102631434_100000766181 [0,2,0,0,0,0|2,0,0]=4 3649 B13R1.3768 Cc1cccc(c1F)C(=O)N(C)C 240690a_100102631434_100000766181 [0,2,0,0,0,0|2,0,0]=4 3650 B13R1.3768 Cc1cccc(c1F)C(=O)N(C)C 527a_100102631434_100000766181 [0,2,0,0,0,0|2,0,0]=4 3651 B13R1.3768 Cc1cccc(c1I)C(=O)N(C)C 11a_100102631434_100000739377 [0,2,0,0,0,0|2,0,0]=4 3652 B13R1.3768 Cc1cccc(c1I)C(=O)N(C)C 1626a_100102631434_100000739377 [0,2,0,0,0,0|2,0,0]=4 3653 B13R1.3768 Cc1cccc(c1I)C(=O)N(C)C 240690a_100102631434_100000739377 [0,2,0,0,0,0|2,0,0]=4 3654 B13R1.3768 Cc1cccc(c1I)C(=O)N(C)C 527a_100102631434_100000739377 [0,2,0,0,0,0|2,0,0]=4 3655 B13R1.3768 Cc1cccc(c1O)C(=O)C(C)C 1458a_100000183896_100000210206 [0,2,0,0,0,0|2,0,0]=4 3656 B13R1.3768 Cc1cccc(c1O)C(=O)N(C)C 240690a_100102631434_100000183896 [0,2,0,0,0,0|1,0,0]=3 3657 B13R1.3768 Cc1cccc(c1O)C(=O)N(C)C 527a_100102631434_100000183896 [0,2,0,0,0,0|1,0,0]=3 3658 B13R1.4789 CCC(=O)c1cc(cc(c1O)Br)Br 1458a_100000212120_100000210202 [0,2,0,0,0,0|2,0,0]=4 3659 B13R1.4789 CCC(=O)c1cc(cc(c1O)Br)Cl 1458a_100000765379_100000210202 [0,2,0,0,0,0|2,0,0]=4 3660 B13R1.4789 CCC(=O)c1cc(cc(c1O)C)Br 1458a_100011825902_100000210202 [0,2,0,0,0,0|2,0,0]=4 3661 B13R1.4789 CCC(=O)c1cc(cc(c1O)C)Cl 1458a_100011255218_100000210202 [0,2,0,0,0,0|2,0,0]=4 3662 B13R1.4789 CCC(=O)c1cc(cc(c1O)Cl)Cl 1458a_100000215963_100000210202 [0,2,0,0,0,0|2,0,0]=4 3663 B13R1.4789 CCC(=O)c1cc(cc(c1O)F)Br 1458a_100011255233_100000210202 [0,2,0,0,0,0|2,0,0]=4 3664 B13R1.4789 CCC(=O)c1cc(cc(c1O)F)F 1458a_100011255242_100000210202 [0,2,0,0,0,0|2,0,0]=4 3665 B13R1.4789 CCC(=O)c1cc(cc(c1O)I)I 1458a_100000748652_100000210202 [0,2,0,0,0,0|2,0,0]=4 3666 B13R1.4789 CCC(=O)c1cc(cc(c1O)O)Br 1458a_200010196872_100000210202 [0,2,0,0,0,0|2,0,0]=4 3667 B13R1.4789 CNC(=O)c1cc(cc(c1Br)Br)C 11a_106832991635_200012920551 [0,2,0,0,0,0|2,0,0]=4 3668 B13R1.4789 CNC(=O)c1cc(cc(c1Br)Br)C 1626a_100102657272_200012920551 [0,2,0,0,0,0|2,0,0]=4 3669 B13R1.4789 CNC(=O)c1cc(cc(c1Br)Br)C 240690a_100102657272_200012920551 [0,2,0,0,0,0|2,0,0]=4 3670 B13R1.4789 CNC(=O)c1cc(cc(c1Br)Br)C 527a_100102657272_200012920551 [0,2,0,0,0,0|2,0,0]=4 3671 B13R1.4789 CNC(=O)c1cc(cc(c1Br)C)C 11a_106832991635_200000701928 [0,2,0,0,0,0|2,0,0]=4 3672 B13R1.4789 CNC(=O)c1cc(cc(c1Br)C)C 1626a_100102657272_200000701928 [0,2,0,0,0,0|2,0,0]=4 3673 B13R1.4789 CNC(=O)c1cc(cc(c1Br)C)C 240690a_100102657272_200000701928 [0,2,0,0,0,0|2,0,0]=4 3674 B13R1.4789 CNC(=O)c1cc(cc(c1Br)C)C 527a_100102657272_200000701928 [0,2,0,0,0,0|2,0,0]=4 3675 B13R1.4789 CNC(=O)c1cc(cc(c1Br)F)F 11a_106832991635_100010209673 [0,2,0,0,0,0|2,0,0]=4 3676 B13R1.4789 CNC(=O)c1cc(cc(c1Br)F)F 1626a_100102657272_100010209673 [0,2,0,0,0,0|2,0,0]=4 3677 B13R1.4789 CNC(=O)c1cc(cc(c1Br)F)F 240690a_100102657272_100010209673 [0,2,0,0,0,0|2,0,0]=4 3678 B13R1.4789 CNC(=O)c1cc(cc(c1Br)F)F 527a_100102657272_100010209673 [0,2,0,0,0,0|2,0,0]=4 3679 B13R1.4789 CNC(=O)c1cc(cc(c1C)Br)Br 11a_106832991635_100012356187 [0,2,0,0,0,0|2,0,0]=4 3680 B13R1.4789 CNC(=O)c1cc(cc(c1C)Br)Br 240690a_100102657272_100012356187 [0,2,0,0,0,0|2,0,0]=4 3681 B13R1.4789 CNC(=O)c1cc(cc(c1C)Br)Br 527a_100102657272_100012356187 [0,2,0,0,0,0|2,0,0]=4 3682 B13R1.4789 CNC(=O)c1cc(cc(c1C)Br)F 11a_106832991635_100012347597 [0,2,0,0,0,0|2,0,0]=4 3683 B13R1.4789 CNC(=O)c1cc(cc(c1C)Br)F 1626a_100102657272_100012347597 [0,2,0,0,0,0|2,0,0]=4 3684 B13R1.4789 CNC(=O)c1cc(cc(c1C)Br)F 240690a_100102657272_100012347597 [0,2,0,0,0,0|2,0,0]=4 3685 B13R1.4789 CNC(=O)c1cc(cc(c1C)Br)F 527a_100102657272_100012347597 [0,2,0,0,0,0|2,0,0]=4 3686 B13R1.4789 CNC(=O)c1cc(cc(c1C)C)Br 11a_106832991635_100012920495 [0,2,0,0,0,0|2,0,0]=4 3687 B13R1.4789 CNC(=O)c1cc(cc(c1C)C)Br 1626a_100102657272_100012920495 [0,2,0,0,0,0|2,0,0]=4 3688 B13R1.4789 CNC(=O)c1cc(cc(c1C)C)Br 240690a_100102657272_100012920495 [0,2,0,0,0,0|2,0,0]=4 3689 B13R1.4789 CNC(=O)c1cc(cc(c1C)C)Br 527a_100102657272_100012920495 [0,2,0,0,0,0|2,0,0]=4 3690 B13R1.4789 CNC(=O)c1cc(cc(c1C)Cl)Br 11a_106832991635_100012921640 [0,2,0,0,0,0|2,0,0]=4 3691 B13R1.4789 CNC(=O)c1cc(cc(c1C)Cl)Br 1626a_100102657272_100012921640 [0,2,0,0,0,0|2,0,0]=4 3692 B13R1.4789 CNC(=O)c1cc(cc(c1C)Cl)Br 240690a_100102657272_100012921640 [0,2,0,0,0,0|2,0,0]=4 3693 B13R1.4789 CNC(=O)c1cc(cc(c1C)Cl)Br 527a_100102657272_100012921640 [0,2,0,0,0,0|2,0,0]=4 3694 B13R1.4789 CNC(=O)c1cc(cc(c1C)Cl)F 11a_106832991635_100012177191 [0,2,0,0,0,0|2,0,0]=4 3695 B13R1.4789 CNC(=O)c1cc(cc(c1C)Cl)F 1626a_100102657272_100012177191 [0,2,0,0,0,0|2,0,0]=4 3696 B13R1.4789 CNC(=O)c1cc(cc(c1C)Cl)F 240690a_100102657272_100012177191 [0,2,0,0,0,0|2,0,0]=4 3697 B13R1.4789 CNC(=O)c1cc(cc(c1C)Cl)F 527a_100102657272_100012177191 [0,2,0,0,0,0|2,0,0]=4 3698 B13R1.4789 CNC(=O)c1cc(cc(c1C)F)Br 11a_106832991635_100010768523 [0,2,0,0,0,0|2,0,0]=4 3699 B13R1.4789 CNC(=O)c1cc(cc(c1C)F)Br 1626a_100102657272_100010768523 [0,2,0,0,0,0|2,0,0]=4 3700 B13R1.4789 CNC(=O)c1cc(cc(c1C)F)Br 240690a_100102657272_100010768523 [0,2,0,0,0,0|2,0,0]=4 3701 B13R1.4789 CNC(=O)c1cc(cc(c1C)F)Br 527a_100102657272_100010768523 [0,2,0,0,0,0|2,0,0]=4 3702 B13R1.4789 CNC(=O)c1cc(cc(c1C)O)Br 240690a_100102657272_100011101721 [0,2,0,0,0,0|2,0,0]=4 3703 B13R1.4789 CNC(=O)c1cc(cc(c1C)O)Br 527a_100102657272_100011101721 [0,2,0,0,0,0|2,0,0]=4 3704 B13R1.4789 CNC(=O)c1cc(cc(c1Cl)Br)Cl 11a_106832991635_200012920481 [0,2,0,0,0,0|2,0,0]=4 3705 B13R1.4789 CNC(=O)c1cc(cc(c1Cl)Br)Cl 1626a_100102657272_200012920481 [0,2,0,0,0,0|2,0,0]=4 3706 B13R1.4789 CNC(=O)c1cc(cc(c1Cl)Br)Cl 240690a_100102657272_200012920481 [0,2,0,0,0,0|2,0,0]=4 3707 B13R1.4789 CNC(=O)c1cc(cc(c1Cl)Br)Cl 527a_100102657272_200012920481 [0,2,0,0,0,0|2,0,0]=4 3708 B13R1.4789 CNC(=O)c1cc(cc(c1Cl)Br)F 11a_106832991635_100011105905 [0,2,0,0,0,0|2,0,0]=4 3709 B13R1.4789 CNC(=O)c1cc(cc(c1Cl)Br)F 1626a_100102657272_100011105905 [0,2,0,0,0,0|2,0,0]=4 3710 B13R1.4789 CNC(=O)c1cc(cc(c1Cl)Br)F 240690a_100102657272_100011105905 [0,2,0,0,0,0|2,0,0]=4 3711 B13R1.4789 CNC(=O)c1cc(cc(c1Cl)Br)F 527a_100102657272_100011105905 [0,2,0,0,0,0|2,0,0]=4 3712 B13R1.4789 CNC(=O)c1cc(cc(c1Cl)C)F 11a_106832991635_200010768536 [0,2,0,0,0,0|2,0,0]=4 3713 B13R1.4789 CNC(=O)c1cc(cc(c1Cl)C)F 1626a_100102657272_200010768536 [0,2,0,0,0,0|2,0,0]=4 3714 B13R1.4789 CNC(=O)c1cc(cc(c1Cl)C)F 240690a_100102657272_200010768536 [0,2,0,0,0,0|2,0,0]=4 3715 B13R1.4789 CNC(=O)c1cc(cc(c1Cl)C)F 527a_100102657272_200010768536 [0,2,0,0,0,0|2,0,0]=4 3716 B13R1.4789 CNC(=O)c1cc(cc(c1Cl)Cl)Cl 11a_106832991635_100011215521 [0,2,0,0,0,0|2,0,0]=4 3717 B13R1.4789 CNC(=O)c1cc(cc(c1Cl)Cl)Cl 1626a_100102657272_100011215521 [0,2,0,0,0,0|2,0,0]=4 3718 B13R1.4789 CNC(=O)c1cc(cc(c1Cl)Cl)Cl 240690a_100102657272_100011215521 [0,2,0,0,0,0|2,0,0]=4 3719 B13R1.4789 CNC(=O)c1cc(cc(c1Cl)Cl)Cl 527a_100102657272_100011215521 [0,2,0,0,0,0|2,0,0]=4 3720 B13R1.4789 CNC(=O)c1cc(cc(c1Cl)Cl)F 11a_106832991635_200010244589 [0,2,0,0,0,0|2,0,0]=4 3721 B13R1.4789 CNC(=O)c1cc(cc(c1Cl)Cl)F 1626a_100102657272_200010244589 [0,2,0,0,0,0|2,0,0]=4 3722 B13R1.4789 CNC(=O)c1cc(cc(c1Cl)Cl)F 240690a_100102657272_200010244589 [0,2,0,0,0,0|2,0,0]=4 3723 B13R1.4789 CNC(=O)c1cc(cc(c1Cl)Cl)F 527a_100102657272_200010244589 [0,2,0,0,0,0|2,0,0]=4 3724 B13R1.4789 CNC(=O)c1cc(cc(c1Cl)F)Cl 11a_106832991635_200012352169 [0,2,0,0,0,0|2,0,0]=4 3725 B13R1.4789 CNC(=O)c1cc(cc(c1Cl)F)Cl 1626a_100102657272_200012352169 [0,2,0,0,0,0|2,0,0]=4 3726 B13R1.4789 CNC(=O)c1cc(cc(c1Cl)F)Cl 240690a_100102657272_200012352169 [0,2,0,0,0,0|2,0,0]=4 3727 B13R1.4789 CNC(=O)c1cc(cc(c1Cl)F)Cl 527a_100102657272_200012352169 [0,2,0,0,0,0|2,0,0]=4 3728 B13R1.4789 CNC(=O)c1cc(cc(c1Cl)F)F 11a_106832991635_100009888511 [0,2,0,0,0,0|2,0,0]=4 3729 B13R1.4789 CNC(=O)c1cc(cc(c1Cl)F)F 1626a_100102657272_100009888511 [0,2,0,0,0,0|2,0,0]=4 3730 B13R1.4789 CNC(=O)c1cc(cc(c1Cl)F)F 240690a_100102657272_100009888511 [0,2,0,0,0,0|2,0,0]=4 3731 B13R1.4789 CNC(=O)c1cc(cc(c1Cl)F)F 527a_100102657272_100009888511 [0,2,0,0,0,0|2,0,0]=4 3732 B13R1.4789 CNC(=O)c1cc(cc(c1F)Br)C 11a_106832991635_100009996753 [0,2,0,0,0,0|2,0,0]=4 3733 B13R1.4789 CNC(=O)c1cc(cc(c1F)Br)C 1626a_100102657272_100009996753 [0,2,0,0,0,0|2,0,0]=4 3734 B13R1.4789 CNC(=O)c1cc(cc(c1F)Br)C 240690a_100102657272_100009996753 [0,2,0,0,0,0|2,0,0]=4 3735 B13R1.4789 CNC(=O)c1cc(cc(c1F)Br)C 527a_100102657272_100009996753 [0,2,0,0,0,0|2,0,0]=4 3736 B13R1.4789 CNC(=O)c1cc(cc(c1F)Br)Cl 11a_106832991635_100000720295 [0,2,0,0,0,0|2,0,0]=4 3737 B13R1.4789 CNC(=O)c1cc(cc(c1F)Br)Cl 1626a_100102657272_100000720295 [0,2,0,0,0,0|2,0,0]=4 3738 B13R1.4789 CNC(=O)c1cc(cc(c1F)Br)Cl 240690a_100102657272_100000720295 [0,2,0,0,0,0|2,0,0]=4 3739 B13R1.4789 CNC(=O)c1cc(cc(c1F)Br)Cl 527a_100102657272_100000720295 [0,2,0,0,0,0|2,0,0]=4 3740 B13R1.4789 CNC(=O)c1cc(cc(c1F)Br)F 11a_106832991635_100012920464 [0,2,0,0,0,0|2,0,0]=4 3741 B13R1.4789 CNC(=O)c1cc(cc(c1F)Br)F 1626a_100102657272_100012920464 [0,2,0,0,0,0|2,0,0]=4 3742 B13R1.4789 CNC(=O)c1cc(cc(c1F)Br)F 240690a_100102657272_100012920464 [0,2,0,0,0,0|2,0,0]=4 3743 B13R1.4789 CNC(=O)c1cc(cc(c1F)Br)F 527a_100102657272_100012920464 [0,2,0,0,0,0|2,0,0]=4 3744 B13R1.4789 CNC(=O)c1cc(cc(c1F)C)Br 11a_106832991635_100012928937 [0,2,0,0,0,0|2,0,0]=4 3745 B13R1.4789 CNC(=O)c1cc(cc(c1F)C)Br 1626a_100102657272_100012928937 [0,2,0,0,0,0|2,0,0]=4 3746 B13R1.4789 CNC(=O)c1cc(cc(c1F)C)Br 240690a_100102657272_100012928937 [0,2,0,0,0,0|2,0,0]=4 3747 B13R1.4789 CNC(=O)c1cc(cc(c1F)Cl)Br 11a_106832991635_100012920557 [0,2,0,0,0,0|2,0,0]=4 3748 B13R1.4789 CNC(=O)c1cc(cc(c1F)Cl)Br 1626a_100102657272_100012920557 [0,2,0,0,0,0|2,0,0]=4 3749 B13R1.4789 CNC(=O)c1cc(cc(c1F)Cl)Br 240690a_100102657272_100012920557 [0,2,0,0,0,0|2,0,0]=4 3750 B13R1.4789 CNC(=O)c1cc(cc(c1F)Cl)I 11a_106832991635_100012920558 [0,2,0,0,0,0|2,0,0]=4 3751 B13R1.4789 CNC(=O)c1cc(cc(c1F)Cl)I 1626a_100102657272_100012920558 [0,2,0,0,0,0|2,0,0]=4 3752 B13R1.4789 CNC(=O)c1cc(cc(c1F)Cl)I 240690a_100102657272_100012920558 [0,2,0,0,0,0|2,0,0]=4 3753 B13R1.4789 CNC(=O)c1cc(cc(c1F)F)Br 11a_106832991635_100012349847 [0,2,0,0,0,0|2,0,0]=4 3754 B13R1.4789 CNC(=O)c1cc(cc(c1F)F)Br 1626a_100102657272_100012349847 [0,2,0,0,0,0|2,0,0]=4 3755 B13R1.4789 CNC(=O)c1cc(cc(c1F)F)Br 240690a_100102657272_100012349847 [0,2,0,0,0,0|2,0,0]=4 3756 B13R1.4789 CNC(=O)c1cc(cc(c1F)F)Br 527a_100102657272_100012349847 [0,2,0,0,0,0|2,0,0]=4 3757 B13R1.4789 CNC(=O)c1cc(cc(c1F)F)C 11a_106832991635_100000094381 [0,2,0,0,0,0|2,0,0]=4 3758 B13R1.4789 CNC(=O)c1cc(cc(c1F)F)C 1626a_100102657272_100000094381 [0,2,0,0,0,0|2,0,0]=4 3759 B13R1.4789 CNC(=O)c1cc(cc(c1F)F)C 240690a_100102657272_100000094381 [0,2,0,0,0,0|2,0,0]=4 3760 B13R1.4789 CNC(=O)c1cc(cc(c1F)F)C 527a_100102657272_100000094381 [0,2,0,0,0,0|2,0,0]=4 3761 B13R1.4789 CNC(=O)c1cc(cc(c1F)F)F 11a_106832991635_100011217470 [0,2,0,0,0,0|2,0,0]=4 3762 B13R1.4789 CNC(=O)c1cc(cc(c1F)F)F 1626a_100102657272_100011217470 [0,2,0,0,0,0|2,0,0]=4 3763 B13R1.4789 CNC(=O)c1cc(cc(c1F)F)F 240690a_100102657272_100011217470 [0,2,0,0,0,0|2,0,0]=4 3764 B13R1.4789 CNC(=O)c1cc(cc(c1F)F)F 527a_100102657272_100011217470 [0,2,0,0,0,0|2,0,0]=4 3765 B13R1.4789 CNC(=O)c1cc(cc(c1F)F)I 11a_106832991635_100012344719 [0,2,0,0,0,0|2,0,0]=4 3766 B13R1.4789 CNC(=O)c1cc(cc(c1F)F)I 1626a_100102657272_100012344719 [0,2,0,0,0,0|2,0,0]=4 3767 B13R1.4789 CNC(=O)c1cc(cc(c1F)F)I 240690a_100102657272_100012344719 [0,2,0,0,0,0|2,0,0]=4 3768 B13R1.4789 CNC(=O)c1cc(cc(c1F)F)I 527a_100102657272_100012344719 [0,2,0,0,0,0|2,0,0]=4 3769 B13R1.4789 CNC(=O)c1cc(cc(c1N)C)O 271570a_203496583355_100010284104 [0,2,0,0,0,0|2,0,0]=4 3770 B13R1.4789 CNC(=O)c1cc(cc(c1O)Br)Br 240690a_100102657272_100000212120 [0,2,0,0,0,0|1,0,0]=3 3771 B13R1.4789 CNC(=O)c1cc(cc(c1O)Br)Br 527a_100102657272_100000212120 [0,2,0,0,0,0|1,0,0]=3 3772 B13R1.4789 CNC(=O)c1cc(cc(c1O)Br)Cl 240690a_100102657272_100000765379 [0,2,0,0,0,0|1,0,0]=3 3773 B13R1.4789 CNC(=O)c1cc(cc(c1O)Br)Cl 527a_100102657272_100000765379 [0,2,0,0,0,0|1,0,0]=3 3774 B13R1.4789 CNC(=O)c1cc(cc(c1O)C)Br 240690a_100102657272_100011825902 [0,2,0,0,0,0|1,0,0]=3 3775 B13R1.4789 CNC(=O)c1cc(cc(c1O)C)Cl 240690a_100102657272_100011255218 [0,2,0,0,0,0|1,0,0]=3 3776 B13R1.4789 CNC(=O)c1cc(cc(c1O)C)Cl 527a_100102657272_100011255218 [0,2,0,0,0,0|1,0,0]=3 3777 B13R1.4789 CNC(=O)c1cc(cc(c1O)Cl)Cl 240690a_100102657272_100000215963 [0,2,0,0,0,0|1,0,0]=3 3778 B13R1.4789 CNC(=O)c1cc(cc(c1O)Cl)Cl 527a_100102657272_100000215963 [0,2,0,0,0,0|1,0,0]=3 3779 B13R1.4789 CNC(=O)c1cc(cc(c1O)F)Br 240690a_100102657272_100011255233 [0,2,0,0,0,0|1,0,0]=3 3780 B13R1.4789 CNC(=O)c1cc(cc(c1O)F)Br 527a_100102657272_100011255233 [0,2,0,0,0,0|1,0,0]=3 3781 B13R1.4789 CNC(=O)c1cc(cc(c1O)F)F 240690a_100102657272_100011255242 [0,2,0,0,0,0|1,0,0]=3 3782 B13R1.4789 CNC(=O)c1cc(cc(c1O)F)F 527a_100102657272_100011255242 [0,2,0,0,0,0|1,0,0]=3 3783 B13R1.4789 CNC(=O)c1cc(cc(c1O)I)I 1626a_100102657272_100000748652 [0,2,0,0,0,0|1,0,0]=3 3784 B13R1.4789 CNC(=O)c1cc(cc(c1O)I)I 240690a_100102657272_100000748652 [0,2,0,0,0,0|1,0,0]=3 3785 B13R1.4789 COC(=O)c1cc(cc(c1O)C)F 271570a_203496583355_100016049047 [0,2,0,0,0,0|2,0,0]=4 3786 B13R1.4789 COC(=O)c1cc(cc(c1O)F)F 271570a_203496583355_100010155431 [0,2,0,0,0,0|2,0,0]=4 3787 B13R1.4789 COC(=O)c1cc(cc(c1O)N)F 271570a_203496583355_100011794234 [0,2,0,0,0,0|2,0,0]=4 3788 B13R1.4789 COC(=O)c1cc(cc(c1O)O)Br 271570a_203496583355_100009996593 [0,2,0,0,0,0|2,0,0]=4 3789 B13R1.4789 Cc1cc(cc(c1O)C(=O)CF)Br 1458a_100011825902_100015361967 [0,2,0,0,0,0|2,0,0]=4 3790 B13R1.4789 Cc1cc(cc(c1O)C(=O)CF)Cl 1458a_100011255218_100015361967 [0,2,0,0,0,0|2,0,0]=4 3791 B13R1.4789 O=C(CF)c1cc(cc(c1O)Br)Br 1458a_100000212120_100015361967 [0,2,0,0,0,0|2,0,0]=4 3792 B13R1.4789 O=C(CF)c1cc(cc(c1O)Br)Cl 1458a_100000765379_100015361967 [0,2,0,0,0,0|2,0,0]=4 3793 B13R1.4789 O=C(CF)c1cc(cc(c1O)Cl)Cl 1458a_100000215963_100015361967 [0,2,0,0,0,0|2,0,0]=4 3794 B13R1.4789 O=C(CF)c1cc(cc(c1O)F)Br 1458a_100011255233_100015361967 [0,2,0,0,0,0|2,0,0]=4 3795 B13R1.4789 O=C(CF)c1cc(cc(c1O)F)F 1458a_100011255242_100015361967 [0,2,0,0,0,0|2,0,0]=4 3796 B13R1.4789 O=C(CF)c1cc(cc(c1O)I)I 1458a_100000748652_100015361967 [0,2,0,0,0,0|2,0,0]=4 3797 B13R1.4789 O=C(CF)c1cc(cc(c1O)O)Br 1458a_200010196872_100015361967 [0,2,0,0,0,0|2,0,0]=4 3798 B13R1.89 C#Cc1ccccc1C(=O)N(C)C 527a_100102631434_100011243808 [0,2,0,0,0,0|2,0,0]=4 3799 B13R1.89 C=Cc1ccccc1C(=O)N(C)C 1626a_100102631434_100011830265 [0,2,0,0,0,0|2,0,0]=4 3800 B13R1.89 C=Cc1ccccc1C(=O)N(C)C 271570a_100011290941_100000159526 [0,2,0,0,0,0|2,0,0]=4 3801 B13R1.89 CC(C)C(=O)c1ccccc1CO 1458a_100011301526_100000210206 [0,2,0,0,0,0|2,0,0]=4 3802 B13R1.89 CCc1ccccc1C(=O)N(C)C 11a_100102631434_100000689120 [0,2,0,0,0,0|2,0,0]=4 3803 B13R1.89 CCc1ccccc1C(=O)N(C)C 1626a_100102631434_100000689120 [0,2,0,0,0,0|2,0,0]=4 3804 B13R1.89 CCc1ccccc1C(=O)N(C)C 240690a_100102631434_100000689120 [0,2,0,0,0,0|2,0,0]=4 3805 B13R1.89 CCc1ccccc1C(=O)N(C)C 527a_100102631434_100000689120 [0,2,0,0,0,0|2,0,0]=4 3806 B13R1.89 CN(C)C(=O)c1ccccc1C#N 11a_100102631434_100000742908 [0,2,0,0,0,0|2,0,0]=4 3807 B13R1.89 CN(C)C(=O)c1ccccc1C#N 1626a_100102631434_100000742908 [0,2,0,0,0,0|2,0,0]=4 3808 B13R1.89 CN(C)C(=O)c1ccccc1C#N 527a_100102631434_100000742908 [0,2,0,0,0,0|2,0,0]=4 3809 B13R1.89 CN(C)C(=O)c1ccccc1I=O 1626a_100102631434_100000032414 [0,2,0,0,0,0|1,0,1]=4 3810 B13R1.89 CN(C)C(=O)c1ccccc1I=O 240690a_100102631434_100000032414 [0,2,0,0,0,0|1,0,1]=4 3811 B13R1.89 CN(C)C(=O)c1ccccc1I=O 527a_100102631434_100000032414 [0,2,0,0,0,0|1,0,1]=4 3812 B13R1.89 CN(C)C(=O)c1ccccc1N[13CH3] 34a_100000188421_200025704644 [0,2,0,0,0,0|2,0,0]=4 3813 B13R1.89 CN(C)C(=O)c1ccccc1O[13CH3] 34a_100000192106_200025704644 [0,2,0,0,0,0|1,0,0]=3 3814 B13R1.89 CN(C)C(=O)c1ccccc1O[13CH3] 7a_100000192106_200025704644 [0,2,0,0,0,0|1,0,0]=3 3815 B13R1.89 CN(C)C(=O)c1ccccc1S[13CH3] 62a_100000159526_200025704644 [0,2,0,0,0,0|1,1,0]=4 3816 B13R1.89 CN(C)C(=O)c1ccccc1S[13CH3] 62a_200025704644_100000159526 [0,2,0,0,0,0|1,1,0]=4 3817 B13R1.89 CN(C)C(=O)c1ncccc1O[13CH3] 34a_200011376111_200025704644 [0,2,0,0,0,0|2,0,0]=4 3818 B13R1.89 CN(C)C(=O)c1ncccc1O[13CH3] 7a_200011376111_200025704644 [0,2,0,0,0,0|2,0,0]=4 3819 B13R1.89 CNc1ccccc1C(=O)N(C)C 34a_100000188421_200000210301 [0,2,0,0,0,0|2,0,0]=4 3820 B13R1.89 COc1ccccc1C(=O)C(C)C 1458a_100000185835_100000210206 [0,2,0,0,0,0|2,0,0]=4 3821 B13R1.89 COc1ccccc1C(=O)N(C)C 11a_100102631434_100000185835 [0,2,0,0,0,0|1,0,0]=3 3822 B13R1.89 COc1ccccc1C(=O)N(C)C 1626a_100102631434_100000185835 [0,2,0,0,0,0|1,0,0]=3 3823 B13R1.89 COc1ccccc1C(=O)N(C)C 240690a_100102631434_100000185835 [0,2,0,0,0,0|1,0,0]=3 3824 B13R1.89 COc1ccccc1C(=O)N(C)C 34a_100000192106_200000210301 [0,2,0,0,0,0|1,0,0]=3 3825 B13R1.89 COc1ccccc1C(=O)N(C)C 527a_100102631434_100000185835 [0,2,0,0,0,0|1,0,0]=3 3826 B13R1.89 COc1ccccc1C(=O)N(C)C 7a_100000192106_200000210301 [0,2,0,0,0,0|1,0,0]=3 3827 B13R1.89 COc1cccnc1C(=O)N(C)C 34a_200011376111_200000210301 [0,2,0,0,0,0|2,0,0]=4 3828 B13R1.89 COc1cccnc1C(=O)N(C)C 7a_200011376111_200000210301 [0,2,0,0,0,0|2,0,0]=4 3829 B13R1.89 CSc1ccccc1C(=O)N(C)C 11a_100102631434_100000183967 [0,2,0,0,0,0|1,1,0]=4 3830 B13R1.89 CSc1ccccc1C(=O)N(C)C 1626a_100102631434_100000183967 [0,2,0,0,0,0|1,1,0]=4 3831 B13R1.89 CSc1ccccc1C(=O)N(C)C 240690a_100102631434_100000183967 [0,2,0,0,0,0|1,1,0]=4 3832 B13R1.89 CSc1ccccc1C(=O)N(C)C 527a_100102631434_100000183967 [0,2,0,0,0,0|1,1,0]=4 3833 B13R1.89 CSc1ccccc1C(=O)N(C)C 62a_100000159526_200000210301 [0,2,0,0,0,0|1,1,0]=4 3834 B13R1.89 CSc1ccccc1C(=O)N(C)C 62a_200000210301_100000159526 [0,2,0,0,0,0|1,1,0]=4 3835 B13R1.382 C=C=Cc1ccccc1C(=O)NC 271570a_100015277604_100000155073 [0,2,0,0,0,0|2,0,0]=4 3836 B13R1.382 C=C=Cc1ccccc1C(=O)NN 271570a_100015277604_100000190081 [0,2,0,0,0,0|2,0,0]=4 3837 B13R1.382 CC(=NO)c1ccccc1OCF 34a_100000164216_100015361967 [0,2,0,0,0,0|1,0,1]=4 3838 B13R1.382 CC=Cc1ccccc1C(=O)NC 271570a_100016259895_100000155073 [0,2,0,0,0,0|2,0,0]=4 3839 B13R1.382 CC=Cc1ccccc1C(=O)NN 271570a_100016259895_100000190081 [0,2,0,0,0,0|2,0,0]=4 3840 B13R1.382 CCC(=O)c1ccccc1COC 1458a_100000737999_100000210202 [0,2,0,0,0,0|2,0,0]=4 3841 B13R1.382 CCC(=O)c1ccccc1OCF 7a_100000184720_100015361967 [0,2,0,0,0,0|2,0,0]=4 3842 B13R1.382 CCNc1ccccc1C(=O)NC 27a_100015525214_100000155073 [0,2,0,0,0,0|2,0,0]=4 3843 B13R1.382 CCNc1ccccc1C(=O)NC 34a_100000185696_100000210202 [0,2,0,0,0,0|2,0,0]=4 3844 B13R1.382 CCOc1ccccc1C(=NO)C 34a_100000164216_100000210202 [0,2,0,0,0,0|1,0,1]=4 3845 B13R1.382 CCOc1ccccc1C(=O)CBr 7a_100000188908_100000210202 [0,2,0,0,0,0|2,0,0]=4 3846 B13R1.382 CCOc1ccccc1C(=O)CC 1458a_100000211144_100000210202 [0,2,0,0,0,0|2,0,0]=4 3847 B13R1.382 CCOc1ccccc1C(=O)CC 7a_100000184720_100000210202 [0,2,0,0,0,0|2,0,0]=4 3848 B13R1.382 CCOc1ccccc1C(=O)CF 1458a_100000211144_100015361967 [0,2,0,0,0,0|2,0,0]=4 3849 B13R1.382 CCOc1ccccc1C(=O)NC 11a_106832991635_100000211144 [0,2,0,0,0,0|1,0,0]=3 3850 B13R1.382 CCOc1ccccc1C(=O)NC 1626a_100102657272_100000211144 [0,2,0,0,0,0|1,0,0]=3 3851 B13R1.382 CCOc1ccccc1C(=O)NC 240690a_100102657272_100000211144 [0,2,0,0,0,0|1,0,0]=3 3852 B13R1.382 CCOc1ccccc1C(=O)NC 34a_100000185920_100000210202 [0,2,0,0,0,0|1,0,0]=3 3853 B13R1.382 CCOc1ccccc1C(=O)NC 527a_100102657272_100000211144 [0,2,0,0,0,0|1,0,0]=3 3854 B13R1.382 CCOc1ccccc1C(=O)NC 7a_100000185920_100000210202 [0,2,0,0,0,0|1,0,0]=3 3855 B13R1.382 CCOc1ccccc1C(=O)NN 34a_100000186518_100000210202 [0,2,0,0,0,0|1,0,0]=3 3856 B13R1.382 CCOc1ccccc1C(=O)NO 34a_100000188472_100000210202 [0,2,0,0,0,0|0,0,0]=2 3857 B13R1.382 CCOc1ccccc1C(=O)OC 7a_100000150335_100000210202 [0,2,0,0,0,0|2,0,0]=4 3858 B13R1.382 CCOc1cccnc1C(=O)NC 34a_100011376092_100000210202 [0,2,0,0,0,0|2,0,0]=4 3859 B13R1.382 CCOc1cccnc1C(=O)NC 7a_100011376092_100000210202 [0,2,0,0,0,0|2,0,0]=4 3860 B13R1.382 CCSc1ccccc1C(=O)NC 11a_106832991635_100000195471 [0,2,0,0,0,0|1,1,0]=4 3861 B13R1.382 CCSc1ccccc1C(=O)NC 1626a_100102657272_100000195471 [0,2,0,0,0,0|1,1,0]=4 3862 B13R1.382 CCSc1ccccc1C(=O)NC 240690a_100102657272_100000195471 [0,2,0,0,0,0|1,1,0]=4 3863 B13R1.382 CCSc1ccccc1C(=O)NC 527a_100102657272_100000195471 [0,2,0,0,0,0|1,1,0]=4 3864 B13R1.382 CCSc1ccccc1C(=O)NC 62a_100000155073_100000210202 [0,2,0,0,0,0|1,1,0]=4 3865 B13R1.382 CCSc1ccccc1C(=O)NC 62a_100000210202_100000155073 [0,2,0,0,0,0|1,1,0]=4 3866 B13R1.382 CCSc1ccccc1C(=O)NN 62a_100000190081_100000210202 [0,2,0,0,0,0|1,1,0]=4 3867 B13R1.382 CCSc1ccccc1C(=O)NN 62a_100000210202_100000190081 [0,2,0,0,0,0|1,1,0]=4 3868 B13R1.382 CNC(=O)c1ccccc1CC#N 11a_106832991635_100000010604 [0,2,0,0,0,0|2,0,0]=4 3869 B13R1.382 CNC(=O)c1ccccc1CC#N 1626a_100102657272_100000010604 [0,2,0,0,0,0|2,0,0]=4 3870 B13R1.382 CNC(=O)c1ccccc1COC 11a_106832991635_100000737999 [0,2,0,0,0,0|1,0,0]=3 3871 B13R1.382 CNC(=O)c1ccccc1COC 1626a_100102657272_100000737999 [0,2,0,0,0,0|1,0,0]=3 3872 B13R1.382 CNC(=O)c1ccccc1COC 240690a_100102657272_100000737999 [0,2,0,0,0,0|1,0,0]=3 3873 B13R1.382 CNC(=O)c1ccccc1COC 34a_100009855793_200000210301 [0,2,0,0,0,0|1,0,0]=3 3874 B13R1.382 CNC(=O)c1ccccc1COC 527a_100102657272_100000737999 [0,2,0,0,0,0|1,0,0]=3 3875 B13R1.382 CNC(=O)c1ccccc1COC 7a_100009855793_200000210301 [0,2,0,0,0,0|1,0,0]=3 3876 B13R1.382 CNC(=O)c1ccccc1CO[13CH3] 34a_100009855793_200025704644 [0,2,0,0,0,0|1,0,0]=3 3877 B13R1.382 CNC(=O)c1ccccc1CO[13CH3] 7a_100009855793_200025704644 [0,2,0,0,0,0|1,0,0]=3 3878 B13R1.382 CNC(=O)c1ccccc1N=[N+]=[N-] 240690a_100102657272_100009827904 [0,2,0,0,0,0|2,0,0]=4 3879 B13R1.382 CNC(=O)c1ccccc1NCF 34a_100000185696_100015361967 [0,2,0,0,0,0|2,0,0]=4 3880 B13R1.382 CNC(=O)c1ccccc1OCF 34a_100000185920_100015361967 [0,2,0,0,0,0|1,0,0]=3 3881 B13R1.382 CNC(=O)c1ccccc1OCF 7a_100000185920_100015361967 [0,2,0,0,0,0|1,0,0]=3 3882 B13R1.382 CNC(=O)c1ccccc1SCF 62a_100000155073_100015361967 [0,2,0,0,0,0|1,1,0]=4 3883 B13R1.382 CNC(=O)c1ccccc1SCF 62a_100015361967_100000155073 [0,2,0,0,0,0|1,1,0]=4 3884 B13R1.382 CNC(=O)c1ncccc1OCF 34a_100011376092_100015361967 [0,2,0,0,0,0|2,0,0]=4 3885 B13R1.382 CNC(=O)c1ncccc1OCF 7a_100011376092_100015361967 [0,2,0,0,0,0|2,0,0]=4 3886 B13R1.382 COC(=O)c1ccccc1OCF 7a_100000150335_100015361967 [0,2,0,0,0,0|2,0,0]=4 3887 B13R1.382 COCc1ccccc1C(=O)CF 1458a_100000737999_100015361967 [0,2,0,0,0,0|2,0,0]=4 3888 B13R1.382 COCc1ccccc1C(=O)OC 34a_100138415774_100000744672 [0,2,0,0,0,0|2,0,0]=4 3889 B13R1.382 NNC(=O)c1ccccc1OCF 34a_100000186518_100015361967 [0,2,0,0,0,0|1,0,0]=3 3890 B13R1.382 NNC(=O)c1ccccc1SCF 62a_100000190081_100015361967 [0,2,0,0,0,0|1,1,0]=4 3891 B13R1.382 NNC(=O)c1ccccc1SCF 62a_100015361967_100000190081 [0,2,0,0,0,0|1,1,0]=4 3892 B13R1.382 O=C(CBr)c1ccccc1OCF 7a_100000188908_100015361967 [0,2,0,0,0,0|2,0,0]=4 3893 B13R1.382 O=C(NO)c1ccccc1OCF 34a_100000188472_100015361967 [0,2,0,0,0,0|0,0,0]=2 3894 B13R1.464 C#CCC(=O)c1ccccc1CO 1458a_100011301526_100000184674 [0,2,0,0,0,0|2,0,0]=4 3895 B13R1.464 C#CCC(=O)c1ccccc1OC 1458a_100000185835_100000184674 [0,2,0,0,0,0|2,0,0]=4 3896 B13R1.464 C#Cc1ccccc1C(=O)CCO 1458a_100011243808_100000211926 [0,2,0,0,0,0|2,0,0]=4 3897 B13R1.464 C#Cc1ccccc1C(=O)NCC 527a_100015525214_100011243808 [0,2,0,0,0,0|2,0,0]=4 3898 B13R1.464 C#Cc1ccccc1C(=O)NNC 22a_100016993582_100011243808 [0,2,0,0,0,0|2,0,0]=4 3899 B13R1.464 C=CCC(=O)c1ccccc1CO 1458a_100011301526_100000210623 [0,2,0,0,0,0|2,0,0]=4 3900 B13R1.464 C=CCC(=O)c1ccccc1OC 1458a_100000185835_100000210623 [0,2,0,0,0,0|2,0,0]=4 3901 B13R1.464 C=Cc1ccccc1C(=O)CCO 1458a_100011830265_100000211926 [0,2,0,0,0,0|2,0,0]=4 3902 B13R1.464 C=Cc1ccccc1C(=O)NCC 271570a_100011290941_200000155173 [0,2,0,0,0,0|2,0,0]=4 3903 B13R1.464 C=Cc1ccccc1C(=O)NNC 22a_100016993582_100011830265 [0,2,0,0,0,0|2,0,0]=4 3904 B13R1.464 CCCC(=O)c1ccccc1CO 1458a_100011301526_100000210303 [0,2,0,0,0,0|2,0,0]=4 3905 B13R1.464 CCCC(=O)c1ccccc1OC 1458a_100000185835_100000210303 [0,2,0,0,0,0|2,0,0]=4 3906 B13R1.464 CCCC(=O)c1ccccc1OC 34a_200000073644_200000210301 [0,2,0,0,0,0|2,0,0]=4 3907 B13R1.464 CCCC(=O)c1ccccc1OC 7a_200000073644_200000210301 [0,2,0,0,0,0|2,0,0]=4 3908 B13R1.464 CCCC(=O)c1ccccc1O[13CH3] 34a_200000073644_200025704644 [0,2,0,0,0,0|2,0,0]=4 3909 B13R1.464 CCCC(=O)c1ccccc1O[13CH3] 7a_200000073644_200025704644 [0,2,0,0,0,0|2,0,0]=4 3910 B13R1.464 CCNC(=O)c1ccccc1C#N 11a_100015525214_100000742908 [0,2,0,0,0,0|2,0,0]=4 3911 B13R1.464 CCNC(=O)c1ccccc1C#N 527a_100015525214_100000742908 [0,2,0,0,0,0|2,0,0]=4 3912 B13R1.464 CCNC(=O)c1ccccc1CC 11a_100015525214_100000689120 [0,2,0,0,0,0|2,0,0]=4 3913 B13R1.464 CCNC(=O)c1ccccc1CC 240690a_100015525214_100000689120 [0,2,0,0,0,0|2,0,0]=4 3914 B13R1.464 CCNC(=O)c1ccccc1CC 527a_100015525214_100000689120 [0,2,0,0,0,0|2,0,0]=4 3915 B13R1.464 CCNC(=O)c1ccccc1I=O 240690a_100015525214_100000032414 [0,2,0,0,0,0|1,0,1]=4 3916 B13R1.464 CCNC(=O)c1ccccc1I=O 527a_100015525214_100000032414 [0,2,0,0,0,0|1,0,1]=4 3917 B13R1.464 CCNC(=O)c1ccccc1NC 27a_100102657272_200000155173 [0,2,0,0,0,0|2,0,0]=4 3918 B13R1.464 CCNC(=O)c1ccccc1NC 34a_100000205978_200000210301 [0,2,0,0,0,0|2,0,0]=4 3919 B13R1.464 CCNC(=O)c1ccccc1N[13CH3] 34a_100000205978_200025704644 [0,2,0,0,0,0|2,0,0]=4 3920 B13R1.464 CCNC(=O)c1ccccc1OC 11a_100015525214_100000185835 [0,2,0,0,0,0|1,0,0]=3 3921 B13R1.464 CCNC(=O)c1ccccc1OC 240690a_100015525214_100000185835 [0,2,0,0,0,0|1,0,0]=3 3922 B13R1.464 CCNC(=O)c1ccccc1OC 34a_100000192205_200000210301 [0,2,0,0,0,0|1,0,0]=3 3923 B13R1.464 CCNC(=O)c1ccccc1OC 527a_100015525214_100000185835 [0,2,0,0,0,0|1,0,0]=3 3924 B13R1.464 CCNC(=O)c1ccccc1OC 7a_100000192205_200000210301 [0,2,0,0,0,0|1,0,0]=3 3925 B13R1.464 CCNC(=O)c1ccccc1O[13CH3] 34a_100000192205_200025704644 [0,2,0,0,0,0|1,0,0]=3 3926 B13R1.464 CCNC(=O)c1ccccc1O[13CH3] 7a_100000192205_200025704644 [0,2,0,0,0,0|1,0,0]=3 3927 B13R1.464 CCNC(=O)c1ccccc1SC 11a_100015525214_100000183967 [0,2,0,0,0,0|1,1,0]=4 3928 B13R1.464 CCNC(=O)c1ccccc1SC 240690a_100015525214_100000183967 [0,2,0,0,0,0|1,1,0]=4 3929 B13R1.464 CCNC(=O)c1ccccc1SC 527a_100015525214_100000183967 [0,2,0,0,0,0|1,1,0]=4 3930 B13R1.464 CCNC(=O)c1ccccc1SC 62a_200000155173_200000210301 [0,2,0,0,0,0|1,1,0]=4 3931 B13R1.464 CCNC(=O)c1ccccc1SC 62a_200000210301_200000155173 [0,2,0,0,0,0|1,1,0]=4 3932 B13R1.464 CCNC(=O)c1ccccc1S[13CH3] 62a_200000155173_200025704644 [0,2,0,0,0,0|1,1,0]=4 3933 B13R1.464 CCNC(=O)c1ccccc1S[13CH3] 62a_200025704644_200000155173 [0,2,0,0,0,0|1,1,0]=4 3934 B13R1.464 CCOC(=O)c1ccccc1OC 7a_100000169922_200000210301 [0,2,0,0,0,0|2,0,0]=4 3935 B13R1.464 CCOC(=O)c1ccccc1O[13CH3] 7a_100000169922_200025704644 [0,2,0,0,0,0|2,0,0]=4 3936 B13R1.464 CCc1ccccc1C(=O)CCO 1458a_100000689120_100000211926 [0,2,0,0,0,0|2,0,0]=4 3937 B13R1.464 CCc1ccccc1C(=O)NNC 22a_100016993582_100000689120 [0,2,0,0,0,0|2,0,0]=4 3938 B13R1.464 CNCC(=O)c1ccccc1OC 34a_100102657272_100000195505 [0,2,0,0,0,0|1,0,0]=3 3939 B13R1.464 CNCC(=O)c1ccccc1OC 7a_106832991635_100000195505 [0,2,0,0,0,0|1,0,0]=3 3940 B13R1.464 CNNC(=O)c1ccccc1C#N 22a_100016993582_100000742908 [0,2,0,0,0,0|2,0,0]=4 3941 B13R1.464 CNNC(=O)c1ccccc1I=O 22a_100016993582_100000032414 [0,2,0,0,0,0|1,0,1]=4 3942 B13R1.464 CNNC(=O)c1ccccc1OC 22a_100016993582_100000185835 [0,2,0,0,0,0|1,0,0]=3 3943 B13R1.464 CNNC(=O)c1ccccc1SC 22a_100016993582_100000183967 [0,2,0,0,0,0|1,1,0]=4 3944 B13R1.464 CNc1ccccc1C(=O)NOC 34a_100011599994_200000210301 [0,2,0,0,0,0|1,0,0]=3 3945 B13R1.464 COCC(=O)c1ccccc1OC 34a_100138415774_100000195505 [0,2,0,0,0,0|1,0,0]=3 3946 B13R1.464 CONC(=O)c1ccccc1N[13CH3] 34a_100011599994_200025704644 [0,2,0,0,0,0|1,0,0]=3 3947 B13R1.464 COc1ccccc1C(=O)CC#N 1458a_100000185835_100011214920 [0,2,0,0,0,0|2,0,0]=4 3948 B13R1.464 COc1ccccc1C(=O)CC#N 7a_200009873261_200000210301 [0,2,0,0,0,0|2,0,0]=4 3949 B13R1.464 COc1ccccc1C(=O)CCCl 7a_100009873196_200000210301 [0,2,0,0,0,0|2,0,0]=4 3950 B13R1.464 COc1ccccc1C(=O)CCF 1458a_100000185835_100011217306 [0,2,0,0,0,0|2,0,0]=4 3951 B13R1.464 COc1ccccc1C(=O)CCO 1458a_100000185835_100000211926 [0,2,0,0,0,0|1,0,0]=3 3952 B13R1.464 COc1ccccc1C(=O)CSC 62a_100000195505_200000210301 [0,2,0,0,0,0|1,1,0]=4 3953 B13R1.464 COc1ccccc1C(=O)CS[13CH3] 62a_100000195505_200025704644 [0,2,0,0,0,0|1,1,0]=4 3954 B13R1.464 CSc1ccccc1C(=O)CCO 1458a_100000183967_100000211926 [0,2,0,0,0,0|1,1,0]=4 3955 B13R1.464 N#CCC(=O)c1ccccc1CO 1458a_100011301526_100011214920 [0,2,0,0,0,0|2,0,0]=4 3956 B13R1.464 N#Cc1ccccc1C(=O)CCO 1458a_100000742908_100000211926 [0,2,0,0,0,0|2,0,0]=4 3957 B13R1.464 O=C(CCF)c1ccccc1CO 1458a_100011301526_100011217306 [0,2,0,0,0,0|2,0,0]=4 3958 B13R1.464 O=C(CCO)c1ccccc1CO 1458a_100011301526_100000211926 [0,2,0,0,0,0|1,0,0]=3 3959 B13R1.464 O=Ic1ccccc1C(=O)CCO 1458a_100000032414_100000211926 [0,2,0,0,0,0|1,0,1]=4 3960 B13R1.464 [13CH3]Oc1ccccc1C(=O)CC#N 7a_200009873261_200025704644 [0,2,0,0,0,0|2,0,0]=4 3961 B13R1.464 [13CH3]Oc1ccccc1C(=O)CCCl 7a_100009873196_200025704644 [0,2,0,0,0,0|2,0,0]=4 3962 B13R1.547 C=C(C)c1ccccc1C(=O)NC 271570a_100000694244_100000155073 [0,2,0,0,0,0|2,0,0]=4 3963 B13R1.547 C=C(C)c1ccccc1C(=O)NN 271570a_100000694244_100000190081 [0,2,0,0,0,0|2,0,0]=4 3964 B13R1.547 CNC(=O)c1ccccc1C(C)C 11a_106832991635_100011941426 [0,2,0,0,0,0|2,0,0]=4 3965 B13R1.547 CNC(=O)c1ccccc1C(C)C 1626a_100102657272_100011941426 [0,2,0,0,0,0|2,0,0]=4 3966 B13R1.547 CNC(=O)c1ccccc1C(C)C 240690a_100102657272_100011941426 [0,2,0,0,0,0|2,0,0]=4 3967 B13R1.547 CNC(=O)c1ccccc1C(C)C 527a_100102657272_100011941426 [0,2,0,0,0,0|2,0,0]=4 3968 B13R1.547 CNC(=O)c1ccccc1C(F)F 11a_106832991635_100009872251 [0,2,0,0,0,0|2,0,0]=4 3969 B13R1.547 CNC(=O)c1ccccc1C(F)F 1626a_100102657272_100009872251 [0,2,0,0,0,0|2,0,0]=4 3970 B13R1.547 CNC(=O)c1ccccc1C(F)F 240690a_100102657272_100009872251 [0,2,0,0,0,0|2,0,0]=4 3971 B13R1.547 CNC(=O)c1ccccc1C(F)F 527a_100102657272_100009872251 [0,2,0,0,0,0|2,0,0]=4 3972 B13R1.547 CNC(=O)c1ccccc1I(=O)=O 1626a_100102657272_100000061294 [0,2,0,0,0,0|1,0,1]=4 3973 B13R1.547 CNC(=O)c1ccccc1I(=O)=O 240690a_100102657272_100000061294 [0,2,0,0,0,0|1,0,1]=4 3974 B13R1.547 CNC(=O)c1ccccc1N(C)C 11a_106832991635_100011218752 [0,2,0,0,0,0|2,0,0]=4 3975 B13R1.547 CNC(=O)c1ccccc1N(C)C 1626a_100102657272_100011218752 [0,2,0,0,0,0|2,0,0]=4 3976 B13R1.547 CNC(=O)c1ccccc1N(C)C 240690a_100102657272_100011218752 [0,2,0,0,0,0|2,0,0]=4 3977 B13R1.547 CNC(=O)c1ccccc1N(C)C 27a_100102631434_100000155073 [0,2,0,0,0,0|2,0,0]=4 3978 B13R1.547 CNC(=O)c1ccccc1N(C)C 527a_100102657272_100011218752 [0,2,0,0,0,0|2,0,0]=4 3979 B13R1.547 CNC(=O)c1ccccc1S(=O)C 1626a_100102657272_100000204632 [0,2,0,0,0,0|1,0,1]=4 3980 B13R1.547 CNC(=O)c1ccccc1S(=O)C 240690a_100102657272_100000204632 [0,2,0,0,0,0|1,0,1]=4 3981 B13R1.547 CNC(=O)c1ccccc1[N+](=O)[O-] 11a_106832991635_100000188706 [0,2,0,0,0,0|1,0,1]=4 3982 B13R1.547 CNC(=O)c1ccccc1[N+](=O)[O-] 1626a_100102657272_100000188706 [0,2,0,0,0,0|1,0,1]=4 3983 B13R1.547 CNC(=O)c1ccccc1[N+](=O)[O-] 240690a_100102657272_100000188706 [0,2,0,0,0,0|1,0,1]=4 3984 B13R1.547 CNC(=O)c1ccccc1[N+](=O)[O-] 527a_100102657272_100000188706 [0,2,0,0,0,0|1,0,1]=4 3985 B13R1.2065 C=Cc1cc(ccc1C(=O)NC)F 271570a_100011290941_200000206206 [0,2,0,0,0,0|2,0,0]=4 3986 B13R1.2065 C=Cc1cc(ccc1C(=O)NN)C 271570a_100011290941_200012340525 [0,2,0,0,0,0|2,0,0]=4 3987 B13R1.2065 C=Cc1cc(ccc1C(=O)NN)F 271570a_100011290941_100000203923 [0,2,0,0,0,0|2,0,0]=4 3988 B13R1.2065 CCC(=O)c1ccc(cc1CO)Br 1458a_100010253900_100000210202 [0,2,0,0,0,0|2,0,0]=4 3989 B13R1.2065 CCC(=O)c1ccc(cc1CO)F 1458a_100013035055_100000210202 [0,2,0,0,0,0|2,0,0]=4 3990 B13R1.2065 CCC(=O)c1ccc(cc1OC)Br 1458a_100000748230_100000210202 [0,2,0,0,0,0|2,0,0]=4 3991 B13R1.2065 CCC(=O)c1ccc(cc1OC)C 1458a_100000217210_100000210202 [0,2,0,0,0,0|2,0,0]=4 3992 B13R1.2065 CCC(=O)c1ccc(cc1OC)Cl 1458a_100000217211_100000210202 [0,2,0,0,0,0|2,0,0]=4 3993 B13R1.2065 CCC(=O)c1ccc(cc1OC)F 1458a_100000239970_100000210202 [0,2,0,0,0,0|2,0,0]=4 3994 B13R1.2065 CCC(=O)c1ccc(cc1OC)I 1458a_100012353712_100000210202 [0,2,0,0,0,0|2,0,0]=4 3995 B13R1.2065 CCc1cc(ccc1C(=O)NC)Br 11a_106832991635_200012349896 [0,2,0,0,0,0|2,0,0]=4 3996 B13R1.2065 CCc1cc(ccc1C(=O)NC)Br 1626a_100102657272_200012349896 [0,2,0,0,0,0|2,0,0]=4 3997 B13R1.2065 CCc1cc(ccc1C(=O)NC)Br 240690a_100102657272_200012349896 [0,2,0,0,0,0|2,0,0]=4 3998 B13R1.2065 CCc1cc(ccc1C(=O)NC)Br 527a_100102657272_200012349896 [0,2,0,0,0,0|2,0,0]=4 3999 B13R1.2065 CNC(=O)c1ccc(cc1C#N)Br 11a_106832991635_100012349539 [0,2,0,0,0,0|2,0,0]=4 4000 B13R1.2065 CNC(=O)c1ccc(cc1C#N)Br 240690a_100102657272_100012349539 [0,2,0,0,0,0|2,0,0]=4 4001 B13R1.2065 CNC(=O)c1ccc(cc1C#N)C 1626a_100102657272_200012184421 [0,2,0,0,0,0|2,0,0]=4 4002 B13R1.2065 CNC(=O)c1ccc(cc1C#N)C 240690a_100102657272_200012184421 [0,2,0,0,0,0|2,0,0]=4 4003 B13R1.2065 CNC(=O)c1ccc(cc1C#N)C 527a_100102657272_200012184421 [0,2,0,0,0,0|2,0,0]=4 4004 B13R1.2065 CNC(=O)c1ccc(cc1C#N)F 11a_106832991635_100012002388 [0,2,0,0,0,0|2,0,0]=4 4005 B13R1.2065 CNC(=O)c1ccc(cc1C#N)F 1626a_100102657272_100012002388 [0,2,0,0,0,0|2,0,0]=4 4006 B13R1.2065 CNC(=O)c1ccc(cc1CO)F 1626a_100102657272_100013035055 [0,2,0,0,0,0|1,0,0]=3 4007 B13R1.2065 CNC(=O)c1ccc(cc1CO)F 240690a_100102657272_100013035055 [0,2,0,0,0,0|1,0,0]=3 4008 B13R1.2065 CNC(=O)c1ccc(cc1NC)Cl 34a_100000742614_200000210301 [0,2,0,0,0,0|2,0,0]=4 4009 B13R1.2065 CNC(=O)c1ccc(cc1NC)F 27a_100102657272_200000206206 [0,2,0,0,0,0|2,0,0]=4 4010 B13R1.2065 CNC(=O)c1ccc(cc1N[13CH3])Cl 34a_100000742614_200025704644 [0,2,0,0,0,0|2,0,0]=4 4011 B13R1.2065 CNC(=O)c1ccc(cc1OC)Br 11a_106832991635_100000748230 [0,2,0,0,0,0|1,0,0]=3 4012 B13R1.2065 CNC(=O)c1ccc(cc1OC)Br 1626a_100102657272_100000748230 [0,2,0,0,0,0|1,0,0]=3 4013 B13R1.2065 CNC(=O)c1ccc(cc1OC)Br 240690a_100102657272_100000748230 [0,2,0,0,0,0|1,0,0]=3 4014 B13R1.2065 CNC(=O)c1ccc(cc1OC)Br 527a_100102657272_100000748230 [0,2,0,0,0,0|1,0,0]=3 4015 B13R1.2065 CNC(=O)c1ccc(cc1OC)C 11a_106832991635_100000217210 [0,2,0,0,0,0|1,0,0]=3 4016 B13R1.2065 CNC(=O)c1ccc(cc1OC)C 1626a_100102657272_100000217210 [0,2,0,0,0,0|1,0,0]=3 4017 B13R1.2065 CNC(=O)c1ccc(cc1OC)C 240690a_100102657272_100000217210 [0,2,0,0,0,0|1,0,0]=3 4018 B13R1.2065 CNC(=O)c1ccc(cc1OC)C 527a_100102657272_100000217210 [0,2,0,0,0,0|1,0,0]=3 4019 B13R1.2065 CNC(=O)c1ccc(cc1OC)Cl 11a_106832991635_100000217211 [0,2,0,0,0,0|1,0,0]=3 4020 B13R1.2065 CNC(=O)c1ccc(cc1OC)Cl 1626a_100102657272_100000217211 [0,2,0,0,0,0|1,0,0]=3 4021 B13R1.2065 CNC(=O)c1ccc(cc1OC)Cl 240690a_100102657272_100000217211 [0,2,0,0,0,0|1,0,0]=3 4022 B13R1.2065 CNC(=O)c1ccc(cc1OC)Cl 527a_100102657272_100000217211 [0,2,0,0,0,0|1,0,0]=3 4023 B13R1.2065 CNC(=O)c1ccc(cc1OC)F 11a_106832991635_100000239970 [0,2,0,0,0,0|1,0,0]=3 4024 B13R1.2065 CNC(=O)c1ccc(cc1OC)F 1626a_100102657272_100000239970 [0,2,0,0,0,0|1,0,0]=3 4025 B13R1.2065 CNC(=O)c1ccc(cc1OC)F 240690a_100102657272_100000239970 [0,2,0,0,0,0|1,0,0]=3 4026 B13R1.2065 CNC(=O)c1ccc(cc1OC)F 527a_100102657272_100000239970 [0,2,0,0,0,0|1,0,0]=3 4027 B13R1.2065 CNC(=O)c1ccc(cc1OC)I 11a_106832991635_100012353712 [0,2,0,0,0,0|1,0,0]=3 4028 B13R1.2065 CNC(=O)c1ccc(cc1OC)I 1626a_100102657272_100012353712 [0,2,0,0,0,0|1,0,0]=3 4029 B13R1.2065 CNC(=O)c1ccc(cc1OC)I 240690a_100102657272_100012353712 [0,2,0,0,0,0|1,0,0]=3 4030 B13R1.2065 CNC(=O)c1ccc(cc1OC)I 527a_100102657272_100012353712 [0,2,0,0,0,0|1,0,0]=3 4031 B13R1.2065 CNC(=O)c1ccc(cc1OC)N 34a_100000223174_200000210301 [0,2,0,0,0,0|1,0,0]=3 4032 B13R1.2065 CNC(=O)c1ccc(cc1OC)N 7a_100000223174_200000210301 [0,2,0,0,0,0|1,0,0]=3 4033 B13R1.2065 CNC(=O)c1ccc(cc1O[13CH3])N 34a_100000223174_200025704644 [0,2,0,0,0,0|1,0,0]=3 4034 B13R1.2065 CNC(=O)c1ccc(cc1O[13CH3])N 7a_100000223174_200025704644 [0,2,0,0,0,0|1,0,0]=3 4035 B13R1.2065 CNC(=O)c1ccc(cc1SC)F 62a_200000206206_200000210301 [0,2,0,0,0,0|1,1,0]=4 4036 B13R1.2065 CNC(=O)c1ccc(cc1SC)F 62a_200000210301_200000206206 [0,2,0,0,0,0|1,1,0]=4 4037 B13R1.2065 CNC(=O)c1ccc(cc1S[13CH3])F 62a_200000206206_200025704644 [0,2,0,0,0,0|1,1,0]=4 4038 B13R1.2065 CNC(=O)c1ccc(cc1S[13CH3])F 62a_200025704644_200000206206 [0,2,0,0,0,0|1,1,0]=4 4039 B13R1.2065 CNc1cc(ccc1C(=O)NN)F 27a_100102657272_100000203923 [0,2,0,0,0,0|2,0,0]=4 4040 B13R1.2065 COC(=O)c1ccc(cc1OC)Br 34a_100000699699_200000210301 [0,2,0,0,0,0|2,0,0]=4 4041 B13R1.2065 COC(=O)c1ccc(cc1OC)Br 7a_100000699699_200000210301 [0,2,0,0,0,0|2,0,0]=4 4042 B13R1.2065 COC(=O)c1ccc(cc1OC)C 34a_100000148187_200000210301 [0,2,0,0,0,0|2,0,0]=4 4043 B13R1.2065 COC(=O)c1ccc(cc1OC)C 7a_100000148187_200000210301 [0,2,0,0,0,0|2,0,0]=4 4044 B13R1.2065 COC(=O)c1ccc(cc1OC)Cl 34a_100000151441_200000210301 [0,2,0,0,0,0|2,0,0]=4 4045 B13R1.2065 COC(=O)c1ccc(cc1OC)Cl 7a_100000151441_200000210301 [0,2,0,0,0,0|2,0,0]=4 4046 B13R1.2065 COC(=O)c1ccc(cc1OC)F 34a_100011216117_200000210301 [0,2,0,0,0,0|2,0,0]=4 4047 B13R1.2065 COC(=O)c1ccc(cc1OC)F 7a_100011216117_200000210301 [0,2,0,0,0,0|2,0,0]=4 4048 B13R1.2065 COC(=O)c1ccc(cc1OC)I 7a_100000062286_200000210301 [0,2,0,0,0,0|2,0,0]=4 4049 B13R1.2065 COC(=O)c1ccc(cc1OC)N 34a_100000718744_200000210301 [0,2,0,0,0,0|2,0,0]=4 4050 B13R1.2065 COC(=O)c1ccc(cc1OC)N 7a_100000718744_200000210301 [0,2,0,0,0,0|2,0,0]=4 4051 B13R1.2065 COC(=O)c1ccc(cc1OC)O 271570a_203496583355_100000708095 [0,2,0,0,0,0|2,0,0]=4 4052 B13R1.2065 COC(=O)c1ccc(cc1O[13CH3])Br 34a_100000699699_200025704644 [0,2,0,0,0,0|2,0,0]=4 4053 B13R1.2065 COC(=O)c1ccc(cc1O[13CH3])Br 7a_100000699699_200025704644 [0,2,0,0,0,0|2,0,0]=4 4054 B13R1.2065 COC(=O)c1ccc(cc1O[13CH3])C 34a_100000148187_200025704644 [0,2,0,0,0,0|2,0,0]=4 4055 B13R1.2065 COC(=O)c1ccc(cc1O[13CH3])C 7a_100000148187_200025704644 [0,2,0,0,0,0|2,0,0]=4 4056 B13R1.2065 COC(=O)c1ccc(cc1O[13CH3])Cl 34a_100000151441_200025704644 [0,2,0,0,0,0|2,0,0]=4 4057 B13R1.2065 COC(=O)c1ccc(cc1O[13CH3])Cl 7a_100000151441_200025704644 [0,2,0,0,0,0|2,0,0]=4 4058 B13R1.2065 COC(=O)c1ccc(cc1O[13CH3])F 34a_100011216117_200025704644 [0,2,0,0,0,0|2,0,0]=4 4059 B13R1.2065 COC(=O)c1ccc(cc1O[13CH3])F 7a_100011216117_200025704644 [0,2,0,0,0,0|2,0,0]=4 4060 B13R1.2065 COC(=O)c1ccc(cc1O[13CH3])I 7a_100000062286_200025704644 [0,2,0,0,0,0|2,0,0]=4 4061 B13R1.2065 COC(=O)c1ccc(cc1O[13CH3])N 34a_100000718744_200025704644 [0,2,0,0,0,0|2,0,0]=4 4062 B13R1.2065 COC(=O)c1ccc(cc1O[13CH3])N 7a_100000718744_200025704644 [0,2,0,0,0,0|2,0,0]=4 4063 B13R1.2065 COc1cc(ccc1C(=O)CBr)F 7a_100009817053_200000210301 [0,2,0,0,0,0|2,0,0]=4 4064 B13R1.2065 COc1cc(ccc1C(=O)CF)Br 1458a_100000748230_100015361967 [0,2,0,0,0,0|2,0,0]=4 4065 B13R1.2065 COc1cc(ccc1C(=O)CF)C 1458a_100000217210_100015361967 [0,2,0,0,0,0|2,0,0]=4 4066 B13R1.2065 COc1cc(ccc1C(=O)CF)Cl 1458a_100000217211_100015361967 [0,2,0,0,0,0|2,0,0]=4 4067 B13R1.2065 COc1cc(ccc1C(=O)CF)F 1458a_100000239970_100015361967 [0,2,0,0,0,0|2,0,0]=4 4068 B13R1.2065 COc1cc(ccc1C(=O)CF)I 1458a_100012353712_100015361967 [0,2,0,0,0,0|2,0,0]=4 4069 B13R1.2065 COc1cc(ccc1C(=O)NN)C 34a_100000193368_200000210301 [0,2,0,0,0,0|1,0,0]=3 4070 B13R1.2065 COc1cc(ccc1C(=O)NN)Cl 34a_100000193371_200000210301 [0,2,0,0,0,0|1,0,0]=3 4071 B13R1.2065 COc1cc(ccc1C(=O)NN)N 34a_200000020778_200000210301 [0,2,0,0,0,0|1,0,0]=3 4072 B13R1.2065 COc1cc(ccc1C(=O)NO)C 34a_200000199133_200000210301 [0,2,0,0,0,0|0,0,0]=2 4073 B13R1.2065 COc1cc(ccc1C(=O)NO)Cl 34a_100000199135_200000210301 [0,2,0,0,0,0|0,0,0]=2 4074 B13R1.2065 CSc1cc(ccc1C(=O)NN)C 62a_200000210301_200012340525 [0,2,0,0,0,0|1,1,0]=4 4075 B13R1.2065 CSc1cc(ccc1C(=O)NN)C 62a_200012340525_200000210301 [0,2,0,0,0,0|1,1,0]=4 4076 B13R1.2065 CSc1cc(ccc1C(=O)NN)F 62a_100000203923_200000210301 [0,2,0,0,0,0|1,1,0]=4 4077 B13R1.2065 CSc1cc(ccc1C(=O)NN)F 62a_200000210301_100000203923 [0,2,0,0,0,0|1,1,0]=4 4078 B13R1.2065 Cc1ccc(c(c1)O[13CH3])C(=O)NN 34a_100000193368_200025704644 [0,2,0,0,0,0|1,0,0]=3 4079 B13R1.2065 Cc1ccc(c(c1)O[13CH3])C(=O)NO 34a_200000199133_200025704644 [0,2,0,0,0,0|0,0,0]=2 4080 B13R1.2065 Cc1ccc(c(c1)S[13CH3])C(=O)NN 62a_200012340525_200025704644 [0,2,0,0,0,0|1,1,0]=4 4081 B13R1.2065 Cc1ccc(c(c1)S[13CH3])C(=O)NN 62a_200025704644_200012340525 [0,2,0,0,0,0|1,1,0]=4 4082 B13R1.2065 O=C(CF)c1ccc(cc1CO)Br 1458a_100010253900_100015361967 [0,2,0,0,0,0|2,0,0]=4 4083 B13R1.2065 O=C(CF)c1ccc(cc1CO)F 1458a_100013035055_100015361967 [0,2,0,0,0,0|2,0,0]=4 4084 B13R1.2065 [13CH3]Oc1cc(ccc1C(=O)CBr)F 7a_100009817053_200025704644 [0,2,0,0,0,0|2,0,0]=4 4085 B13R1.2065 [13CH3]Oc1cc(ccc1C(=O)NN)Cl 34a_100000193371_200025704644 [0,2,0,0,0,0|1,0,0]=3 4086 B13R1.2065 [13CH3]Oc1cc(ccc1C(=O)NN)N 34a_200000020778_200025704644 [0,2,0,0,0,0|1,0,0]=3 4087 B13R1.2065 [13CH3]Oc1cc(ccc1C(=O)NO)Cl 34a_100000199135_200025704644 [0,2,0,0,0,0|0,0,0]=2 4088 B13R1.2065 [13CH3]Sc1cc(ccc1C(=O)NN)F 62a_100000203923_200025704644 [0,2,0,0,0,0|1,1,0]=4 4089 B13R1.2065 [13CH3]Sc1cc(ccc1C(=O)NN)F 62a_200025704644_100000203923 [0,2,0,0,0,0|1,1,0]=4 4090 B13R1.2129 CNS(=O)(=O)c1ccccc1OC 270084a_100102657272_100000183792 [0,2,0,0,0,0|2,0,0]=4 4091 B13R1.2129 CNS(=O)(=O)c1ccccc1OC 274078a_100102657272_100000183792 [0,2,0,0,0,0|2,0,0]=4 4092 B13R1.2209 C=Cc1ccc(cc1C(=O)NC)Cl 271570a_100011290941_200011279454 [0,2,0,0,0,0|2,0,0]=4 4093 B13R1.2209 C=Cc1ccc(cc1C(=O)NC)F 271570a_100011290941_200000206232 [0,2,0,0,0,0|2,0,0]=4 4094 B13R1.2209 C=Cc1ccc(cc1C(=O)NN)F 271570a_100011290941_100000205862 [0,2,0,0,0,0|2,0,0]=4 4095 B13R1.2209 CCC(=O)c1cc(ccc1OC)Br 1458a_100000188853_100000210202 [0,2,0,0,0,0|2,0,0]=4 4096 B13R1.2209 CCC(=O)c1cc(ccc1OC)Br 7a_100000183607_200000210301 [0,2,0,0,0,0|2,0,0]=4 4097 B13R1.2209 CCC(=O)c1cc(ccc1OC)C 1458a_100000204667_100000210202 [0,2,0,0,0,0|2,0,0]=4 4098 B13R1.2209 CCC(=O)c1cc(ccc1OC)C 7a_100000183590_200000210301 [0,2,0,0,0,0|2,0,0]=4 4099 B13R1.2209 CCC(=O)c1cc(ccc1OC)Cl 1458a_100000211409_100000210202 [0,2,0,0,0,0|2,0,0]=4 4100 B13R1.2209 CCC(=O)c1cc(ccc1OC)Cl 7a_100000181482_200000210301 [0,2,0,0,0,0|2,0,0]=4 4101 B13R1.2209 CCC(=O)c1cc(ccc1OC)F 1458a_100000735445_100000210202 [0,2,0,0,0,0|2,0,0]=4 4102 B13R1.2209 CCC(=O)c1cc(ccc1OC)F 34a_100000183209_200000210301 [0,2,0,0,0,0|2,0,0]=4 4103 B13R1.2209 CCC(=O)c1cc(ccc1OC)F 7a_100000183209_200000210301 [0,2,0,0,0,0|2,0,0]=4 4104 B13R1.2209 CCC(=O)c1cc(ccc1OC)I 1458a_100000230898_100000210202 [0,2,0,0,0,0|2,0,0]=4 4105 B13R1.2209 CCC(=O)c1cc(ccc1OC)O 1458a_200000100057_100000210202 [0,2,0,0,0,0|2,0,0]=4 4106 B13R1.2209 CCC(=O)c1cc(ccc1O[13CH3])Br 7a_100000183607_200025704644 [0,2,0,0,0,0|2,0,0]=4 4107 B13R1.2209 CCC(=O)c1cc(ccc1O[13CH3])C 7a_100000183590_200025704644 [0,2,0,0,0,0|2,0,0]=4 4108 B13R1.2209 CCC(=O)c1cc(ccc1O[13CH3])Cl 7a_100000181482_200025704644 [0,2,0,0,0,0|2,0,0]=4 4109 B13R1.2209 CCC(=O)c1cc(ccc1O[13CH3])F 34a_100000183209_200025704644 [0,2,0,0,0,0|2,0,0]=4 4110 B13R1.2209 CCC(=O)c1cc(ccc1O[13CH3])F 7a_100000183209_200025704644 [0,2,0,0,0,0|2,0,0]=4 4111 B13R1.2209 CCc1ccc(cc1C(=O)NC)Br 11a_106832991635_100012343961 [0,2,0,0,0,0|2,0,0]=4 4112 B13R1.2209 CCc1ccc(cc1C(=O)NC)Br 1626a_100102657272_100012343961 [0,2,0,0,0,0|2,0,0]=4 4113 B13R1.2209 CCc1ccc(cc1C(=O)NC)Br 240690a_100102657272_100012343961 [0,2,0,0,0,0|2,0,0]=4 4114 B13R1.2209 CCc1ccc(cc1C(=O)NC)Br 527a_100102657272_100012343961 [0,2,0,0,0,0|2,0,0]=4 4115 B13R1.2209 CNC(=O)c1cc(ccc1C#N)F 11a_106832991635_100011217471 [0,2,0,0,0,0|2,0,0]=4 4116 B13R1.2209 CNC(=O)c1cc(ccc1C#N)F 1626a_100102657272_100011217471 [0,2,0,0,0,0|2,0,0]=4 4117 B13R1.2209 CNC(=O)c1cc(ccc1NC)Br 34a_100000690504_200000210301 [0,2,0,0,0,0|2,0,0]=4 4118 B13R1.2209 CNC(=O)c1cc(ccc1NC)Cl 27a_100102657272_200011279454 [0,2,0,0,0,0|2,0,0]=4 4119 B13R1.2209 CNC(=O)c1cc(ccc1NC)Cl 34a_100000739363_200000210301 [0,2,0,0,0,0|2,0,0]=4 4120 B13R1.2209 CNC(=O)c1cc(ccc1NC)F 27a_100102657272_200000206232 [0,2,0,0,0,0|2,0,0]=4 4121 B13R1.2209 CNC(=O)c1cc(ccc1N[13CH3])Br 34a_100000690504_200025704644 [0,2,0,0,0,0|2,0,0]=4 4122 B13R1.2209 CNC(=O)c1cc(ccc1N[13CH3])Cl 34a_100000739363_200025704644 [0,2,0,0,0,0|2,0,0]=4 4123 B13R1.2209 CNC(=O)c1cc(ccc1OC)Br 11a_106832991635_100000188853 [0,2,0,0,0,0|1,0,0]=3 4124 B13R1.2209 CNC(=O)c1cc(ccc1OC)Br 1626a_100102657272_100000188853 [0,2,0,0,0,0|1,0,0]=3 4125 B13R1.2209 CNC(=O)c1cc(ccc1OC)Br 240690a_100102657272_100000188853 [0,2,0,0,0,0|1,0,0]=3 4126 B13R1.2209 CNC(=O)c1cc(ccc1OC)Br 527a_100102657272_100000188853 [0,2,0,0,0,0|1,0,0]=3 4127 B13R1.2209 CNC(=O)c1cc(ccc1OC)C 11a_106832991635_100000204667 [0,2,0,0,0,0|1,0,0]=3 4128 B13R1.2209 CNC(=O)c1cc(ccc1OC)C 1626a_100102657272_100000204667 [0,2,0,0,0,0|1,0,0]=3 4129 B13R1.2209 CNC(=O)c1cc(ccc1OC)C 240690a_100102657272_100000204667 [0,2,0,0,0,0|1,0,0]=3 4130 B13R1.2209 CNC(=O)c1cc(ccc1OC)C 527a_100102657272_100000204667 [0,2,0,0,0,0|1,0,0]=3 4131 B13R1.2209 CNC(=O)c1cc(ccc1OC)Cl 11a_106832991635_100000211409 [0,2,0,0,0,0|1,0,0]=3 4132 B13R1.2209 CNC(=O)c1cc(ccc1OC)Cl 1626a_100102657272_100000211409 [0,2,0,0,0,0|1,0,0]=3 4133 B13R1.2209 CNC(=O)c1cc(ccc1OC)Cl 240690a_100102657272_100000211409 [0,2,0,0,0,0|1,0,0]=3 4134 B13R1.2209 CNC(=O)c1cc(ccc1OC)Cl 527a_100102657272_100000211409 [0,2,0,0,0,0|1,0,0]=3 4135 B13R1.2209 CNC(=O)c1cc(ccc1OC)F 11a_106832991635_100000735445 [0,2,0,0,0,0|1,0,0]=3 4136 B13R1.2209 CNC(=O)c1cc(ccc1OC)F 1626a_100102657272_100000735445 [0,2,0,0,0,0|1,0,0]=3 4137 B13R1.2209 CNC(=O)c1cc(ccc1OC)F 240690a_100102657272_100000735445 [0,2,0,0,0,0|1,0,0]=3 4138 B13R1.2209 CNC(=O)c1cc(ccc1OC)F 527a_100102657272_100000735445 [0,2,0,0,0,0|1,0,0]=3 4139 B13R1.2209 CNC(=O)c1cc(ccc1OC)I 11a_106832991635_100000230898 [0,2,0,0,0,0|1,0,0]=3 4140 B13R1.2209 CNC(=O)c1cc(ccc1OC)I 1626a_100102657272_100000230898 [0,2,0,0,0,0|1,0,0]=3 4141 B13R1.2209 CNC(=O)c1cc(ccc1OC)I 240690a_100102657272_100000230898 [0,2,0,0,0,0|1,0,0]=3 4142 B13R1.2209 CNC(=O)c1cc(ccc1OC)I 527a_100102657272_100000230898 [0,2,0,0,0,0|1,0,0]=3 4143 B13R1.2209 CNC(=O)c1cc(ccc1OC)O 240690a_100102657272_200000100057 [0,2,0,0,0,0|1,0,0]=3 4144 B13R1.2209 CNC(=O)c1cc(ccc1OC)O 527a_100102657272_200000100057 [0,2,0,0,0,0|1,0,0]=3 4145 B13R1.2209 CNC(=O)c1cc(ccc1SC)Cl 62a_200000210301_200011279454 [0,2,0,0,0,0|1,1,0]=4 4146 B13R1.2209 CNC(=O)c1cc(ccc1SC)Cl 62a_200011279454_200000210301 [0,2,0,0,0,0|1,1,0]=4 4147 B13R1.2209 CNC(=O)c1cc(ccc1SC)F 62a_200000206232_200000210301 [0,2,0,0,0,0|1,1,0]=4 4148 B13R1.2209 CNC(=O)c1cc(ccc1SC)F 62a_200000210301_200000206232 [0,2,0,0,0,0|1,1,0]=4 4149 B13R1.2209 CNC(=O)c1cc(ccc1S[13CH3])Cl 62a_200011279454_200025704644 [0,2,0,0,0,0|1,1,0]=4 4150 B13R1.2209 CNC(=O)c1cc(ccc1S[13CH3])Cl 62a_200025704644_200011279454 [0,2,0,0,0,0|1,1,0]=4 4151 B13R1.2209 CNC(=O)c1cc(ccc1S[13CH3])F 62a_200000206232_200025704644 [0,2,0,0,0,0|1,1,0]=4 4152 B13R1.2209 CNC(=O)c1cc(ccc1S[13CH3])F 62a_200025704644_200000206232 [0,2,0,0,0,0|1,1,0]=4 4153 B13R1.2209 COC(=O)c1cc(ccc1OC)Br 34a_100000149267_200000210301 [0,2,0,0,0,0|2,0,0]=4 4154 B13R1.2209 COC(=O)c1cc(ccc1OC)Br 7a_100000149267_200000210301 [0,2,0,0,0,0|2,0,0]=4 4155 B13R1.2209 COC(=O)c1cc(ccc1OC)C 34a_100000216618_200000210301 [0,2,0,0,0,0|2,0,0]=4 4156 B13R1.2209 COC(=O)c1cc(ccc1OC)C 7a_100000216618_200000210301 [0,2,0,0,0,0|2,0,0]=4 4157 B13R1.2209 COC(=O)c1cc(ccc1OC)Cl 34a_100000149278_200000210301 [0,2,0,0,0,0|2,0,0]=4 4158 B13R1.2209 COC(=O)c1cc(ccc1OC)Cl 7a_100000149278_200000210301 [0,2,0,0,0,0|2,0,0]=4 4159 B13R1.2209 COC(=O)c1cc(ccc1OC)F 34a_100011219540_200000210301 [0,2,0,0,0,0|2,0,0]=4 4160 B13R1.2209 COC(=O)c1cc(ccc1OC)F 7a_100011219540_200000210301 [0,2,0,0,0,0|2,0,0]=4 4161 B13R1.2209 COC(=O)c1cc(ccc1OC)I 34a_100000149868_200000210301 [0,2,0,0,0,0|2,0,0]=4 4162 B13R1.2209 COC(=O)c1cc(ccc1OC)I 7a_100000149868_200000210301 [0,2,0,0,0,0|2,0,0]=4 4163 B13R1.2209 COC(=O)c1cc(ccc1OC)N 34a_100011246163_200000210301 [0,2,0,0,0,0|2,0,0]=4 4164 B13R1.2209 COC(=O)c1cc(ccc1OC)N 7a_100011246163_200000210301 [0,2,0,0,0,0|2,0,0]=4 4165 B13R1.2209 COC(=O)c1cc(ccc1OC)O 271570a_203496583355_100012047238 [0,2,0,0,0,0|2,0,0]=4 4166 B13R1.2209 COC(=O)c1cc(ccc1O[13CH3])Br 34a_100000149267_200025704644 [0,2,0,0,0,0|2,0,0]=4 4167 B13R1.2209 COC(=O)c1cc(ccc1O[13CH3])Br 7a_100000149267_200025704644 [0,2,0,0,0,0|2,0,0]=4 4168 B13R1.2209 COC(=O)c1cc(ccc1O[13CH3])C 34a_100000216618_200025704644 [0,2,0,0,0,0|2,0,0]=4 4169 B13R1.2209 COC(=O)c1cc(ccc1O[13CH3])C 7a_100000216618_200025704644 [0,2,0,0,0,0|2,0,0]=4 4170 B13R1.2209 COC(=O)c1cc(ccc1O[13CH3])Cl 34a_100000149278_200025704644 [0,2,0,0,0,0|2,0,0]=4 4171 B13R1.2209 COC(=O)c1cc(ccc1O[13CH3])Cl 7a_100000149278_200025704644 [0,2,0,0,0,0|2,0,0]=4 4172 B13R1.2209 COC(=O)c1cc(ccc1O[13CH3])F 34a_100011219540_200025704644 [0,2,0,0,0,0|2,0,0]=4 4173 B13R1.2209 COC(=O)c1cc(ccc1O[13CH3])F 7a_100011219540_200025704644 [0,2,0,0,0,0|2,0,0]=4 4174 B13R1.2209 COC(=O)c1cc(ccc1O[13CH3])I 34a_100000149868_200025704644 [0,2,0,0,0,0|2,0,0]=4 4175 B13R1.2209 COC(=O)c1cc(ccc1O[13CH3])I 7a_100000149868_200025704644 [0,2,0,0,0,0|2,0,0]=4 4176 B13R1.2209 COC(=O)c1cc(ccc1O[13CH3])N 34a_100011246163_200025704644 [0,2,0,0,0,0|2,0,0]=4 4177 B13R1.2209 COC(=O)c1cc(ccc1O[13CH3])N 7a_100011246163_200025704644 [0,2,0,0,0,0|2,0,0]=4 4178 B13R1.2209 COc1ccc(cc1C(=O)CBr)Br 7a_200009828000_200000210301 [0,2,0,0,0,0|2,0,0]=4 4179 B13R1.2209 COc1ccc(cc1C(=O)CBr)Cl 7a_200009816716_200000210301 [0,2,0,0,0,0|2,0,0]=4 4180 B13R1.2209 COc1ccc(cc1C(=O)CBr)F 7a_100009814381_200000210301 [0,2,0,0,0,0|2,0,0]=4 4181 B13R1.2209 COc1ccc(cc1C(=O)CCl)F 7a_100000047744_200000210301 [0,2,0,0,0,0|2,0,0]=4 4182 B13R1.2209 COc1ccc(cc1C(=O)CF)Br 1458a_100000188853_100015361967 [0,2,0,0,0,0|2,0,0]=4 4183 B13R1.2209 COc1ccc(cc1C(=O)CF)C 1458a_100000204667_100015361967 [0,2,0,0,0,0|2,0,0]=4 4184 B13R1.2209 COc1ccc(cc1C(=O)CF)Cl 1458a_100000211409_100015361967 [0,2,0,0,0,0|2,0,0]=4 4185 B13R1.2209 COc1ccc(cc1C(=O)CF)F 1458a_100000735445_100015361967 [0,2,0,0,0,0|2,0,0]=4 4186 B13R1.2209 COc1ccc(cc1C(=O)CF)I 1458a_100000230898_100015361967 [0,2,0,0,0,0|2,0,0]=4 4187 B13R1.2209 COc1ccc(cc1C(=O)CF)O 1458a_200000100057_100015361967 [0,2,0,0,0,0|2,0,0]=4 4188 B13R1.2209 COc1ccc(cc1C(=O)NN)Br 34a_100000193350_200000210301 [0,2,0,0,0,0|1,0,0]=3 4189 B13R1.2209 COc1ccc(cc1C(=O)NN)C 34a_200000193374_200000210301 [0,2,0,0,0,0|1,0,0]=3 4190 B13R1.2209 COc1ccc(cc1C(=O)NO)Cl 34a_100000199126_200000210301 [0,2,0,0,0,0|0,0,0]=2 4191 B13R1.2209 CSc1ccc(cc1C(=O)NN)F 62a_100000205862_200000210301 [0,2,0,0,0,0|1,1,0]=4 4192 B13R1.2209 CSc1ccc(cc1C(=O)NN)F 62a_200000210301_100000205862 [0,2,0,0,0,0|1,1,0]=4 4193 B13R1.2209 Cc1ccc(c(c1)C(=O)NN)O[13CH3] 34a_200000193374_200025704644 [0,2,0,0,0,0|1,0,0]=3 4194 B13R1.2209 [13CH3]Oc1ccc(cc1C(=O)CBr)Br 7a_200009828000_200025704644 [0,2,0,0,0,0|2,0,0]=4 4195 B13R1.2209 [13CH3]Oc1ccc(cc1C(=O)CBr)Cl 7a_200009816716_200025704644 [0,2,0,0,0,0|2,0,0]=4 4196 B13R1.2209 [13CH3]Oc1ccc(cc1C(=O)CBr)F 7a_100009814381_200025704644 [0,2,0,0,0,0|2,0,0]=4 4197 B13R1.2209 [13CH3]Oc1ccc(cc1C(=O)CCl)F 7a_100000047744_200025704644 [0,2,0,0,0,0|2,0,0]=4 4198 B13R1.2209 [13CH3]Oc1ccc(cc1C(=O)NN)Br 34a_100000193350_200025704644 [0,2,0,0,0,0|1,0,0]=3 4199 B13R1.2209 [13CH3]Oc1ccc(cc1C(=O)NO)Cl 34a_100000199126_200025704644 [0,2,0,0,0,0|0,0,0]=2 4200 B13R1.2209 [13CH3]Sc1ccc(cc1C(=O)NN)F 62a_100000205862_200025704644 [0,2,0,0,0,0|1,1,0]=4 4201 B13R1.2209 [13CH3]Sc1ccc(cc1C(=O)NN)F 62a_200025704644_100000205862 [0,2,0,0,0,0|1,1,0]=4 4202 B13R1.2357 C=Cc1cccc(c1C(=O)NC)F 271570a_100011290941_100012642803 [0,2,0,0,0,0|2,0,0]=4 4203 B13R1.2357 CCC(=O)c1c(cccc1OC)Br 1458a_100011593405_100000210202 [0,2,0,0,0,0|2,0,0]=4 4204 B13R1.2357 CCC(=O)c1c(cccc1OC)C 1458a_100000066212_100000210202 [0,2,0,0,0,0|2,0,0]=4 4205 B13R1.2357 CCC(=O)c1c(cccc1OC)Cl 1458a_100000743539_100000210202 [0,2,0,0,0,0|2,0,0]=4 4206 B13R1.2357 CCC(=O)c1c(cccc1OC)F 1458a_100000759380_100000210202 [0,2,0,0,0,0|2,0,0]=4 4207 B13R1.2357 CCC(=O)c1c(cccc1OC)I 1458a_100010179659_100000210202 [0,2,0,0,0,0|2,0,0]=4 4208 B13R1.2357 CCC(=O)c1c(cccc1OC)O 1458a_100000043310_100000210202 [0,2,0,0,0,0|2,0,0]=4 4209 B13R1.2357 CNC(=O)c1c(cccc1C#N)Br 240690a_100102657272_200010145881 [0,2,0,0,0,0|2,0,0]=4 4210 B13R1.2357 CNC(=O)c1c(cccc1NC)F 27a_100102657272_100012642803 [0,2,0,0,0,0|2,0,0]=4 4211 B13R1.2357 CNC(=O)c1c(cccc1OC)Br 11a_106832991635_100011593405 [0,2,0,0,0,0|1,0,0]=3 4212 B13R1.2357 CNC(=O)c1c(cccc1OC)Br 1626a_100102657272_100011593405 [0,2,0,0,0,0|1,0,0]=3 4213 B13R1.2357 CNC(=O)c1c(cccc1OC)Br 240690a_100102657272_100011593405 [0,2,0,0,0,0|1,0,0]=3 4214 B13R1.2357 CNC(=O)c1c(cccc1OC)Br 527a_100102657272_100011593405 [0,2,0,0,0,0|1,0,0]=3 4215 B13R1.2357 CNC(=O)c1c(cccc1OC)C 11a_106832991635_100000066212 [0,2,0,0,0,0|1,0,0]=3 4216 B13R1.2357 CNC(=O)c1c(cccc1OC)C 1626a_100102657272_100000066212 [0,2,0,0,0,0|1,0,0]=3 4217 B13R1.2357 CNC(=O)c1c(cccc1OC)C 240690a_100102657272_100000066212 [0,2,0,0,0,0|1,0,0]=3 4218 B13R1.2357 CNC(=O)c1c(cccc1OC)Cl 11a_106832991635_100000743539 [0,2,0,0,0,0|1,0,0]=3 4219 B13R1.2357 CNC(=O)c1c(cccc1OC)Cl 1626a_100102657272_100000743539 [0,2,0,0,0,0|1,0,0]=3 4220 B13R1.2357 CNC(=O)c1c(cccc1OC)Cl 240690a_100102657272_100000743539 [0,2,0,0,0,0|1,0,0]=3 4221 B13R1.2357 CNC(=O)c1c(cccc1OC)Cl 527a_100102657272_100000743539 [0,2,0,0,0,0|1,0,0]=3 4222 B13R1.2357 CNC(=O)c1c(cccc1OC)F 11a_106832991635_100000759380 [0,2,0,0,0,0|1,0,0]=3 4223 B13R1.2357 CNC(=O)c1c(cccc1OC)F 1626a_100102657272_100000759380 [0,2,0,0,0,0|1,0,0]=3 4224 B13R1.2357 CNC(=O)c1c(cccc1OC)F 240690a_100102657272_100000759380 [0,2,0,0,0,0|1,0,0]=3 4225 B13R1.2357 CNC(=O)c1c(cccc1OC)F 527a_100102657272_100000759380 [0,2,0,0,0,0|1,0,0]=3 4226 B13R1.2357 CNC(=O)c1c(cccc1OC)I 11a_106832991635_100010179659 [0,2,0,0,0,0|1,0,0]=3 4227 B13R1.2357 CNC(=O)c1c(cccc1OC)I 1626a_100102657272_100010179659 [0,2,0,0,0,0|1,0,0]=3 4228 B13R1.2357 CNC(=O)c1c(cccc1OC)I 240690a_100102657272_100010179659 [0,2,0,0,0,0|1,0,0]=3 4229 B13R1.2357 CNC(=O)c1c(cccc1OC)I 527a_100102657272_100010179659 [0,2,0,0,0,0|1,0,0]=3 4230 B13R1.2357 CNC(=O)c1c(cccc1OC)O 240690a_100102657272_100000043310 [0,2,0,0,0,0|1,0,0]=3 4231 B13R1.2357 CNC(=O)c1c(cccc1SC)F 62a_100012642803_200000210301 [0,2,0,0,0,0|1,1,0]=4 4232 B13R1.2357 CNC(=O)c1c(cccc1SC)F 62a_200000210301_100012642803 [0,2,0,0,0,0|1,1,0]=4 4233 B13R1.2357 CNC(=O)c1c(cccc1S[13CH3])F 62a_100012642803_200025704644 [0,2,0,0,0,0|1,1,0]=4 4234 B13R1.2357 CNC(=O)c1c(cccc1S[13CH3])F 62a_200025704644_100012642803 [0,2,0,0,0,0|1,1,0]=4 4235 B13R1.2357 COC(=O)c1c(cccc1C#N)O 271570a_203496583355_100009843633 [0,2,0,0,0,0|2,0,0]=4 4236 B13R1.2357 COC(=O)c1c(cccc1OC)C 34a_100000084604_200000210301 [0,2,0,0,0,0|2,0,0]=4 4237 B13R1.2357 COC(=O)c1c(cccc1OC)C 7a_100000084604_200000210301 [0,2,0,0,0,0|2,0,0]=4 4238 B13R1.2357 COC(=O)c1c(cccc1OC)Cl 34a_200000055445_200000210301 [0,2,0,0,0,0|2,0,0]=4 4239 B13R1.2357 COC(=O)c1c(cccc1OC)Cl 7a_200000055445_200000210301 [0,2,0,0,0,0|2,0,0]=4 4240 B13R1.2357 COC(=O)c1c(cccc1OC)F 34a_100011216559_200000210301 [0,2,0,0,0,0|2,0,0]=4 4241 B13R1.2357 COC(=O)c1c(cccc1OC)F 7a_100011216559_200000210301 [0,2,0,0,0,0|2,0,0]=4 4242 B13R1.2357 COC(=O)c1c(cccc1OC)O 271570a_203496583355_100010189552 [0,2,0,0,0,0|2,0,0]=4 4243 B13R1.2357 COC(=O)c1c(cccc1O[13CH3])C 34a_100000084604_200025704644 [0,2,0,0,0,0|2,0,0]=4 4244 B13R1.2357 COC(=O)c1c(cccc1O[13CH3])C 7a_100000084604_200025704644 [0,2,0,0,0,0|2,0,0]=4 4245 B13R1.2357 COC(=O)c1c(cccc1O[13CH3])Cl 34a_200000055445_200025704644 [0,2,0,0,0,0|2,0,0]=4 4246 B13R1.2357 COC(=O)c1c(cccc1O[13CH3])Cl 7a_200000055445_200025704644 [0,2,0,0,0,0|2,0,0]=4 4247 B13R1.2357 COC(=O)c1c(cccc1O[13CH3])F 34a_100011216559_200025704644 [0,2,0,0,0,0|2,0,0]=4 4248 B13R1.2357 COC(=O)c1c(cccc1O[13CH3])F 7a_100011216559_200025704644 [0,2,0,0,0,0|2,0,0]=4 4249 B13R1.2357 COc1cccc(c1C(=O)CF)Br 1458a_100011593405_100015361967 [0,2,0,0,0,0|2,0,0]=4 4250 B13R1.2357 COc1cccc(c1C(=O)CF)C 1458a_100000066212_100015361967 [0,2,0,0,0,0|2,0,0]=4 4251 B13R1.2357 COc1cccc(c1C(=O)CF)Cl 1458a_100000743539_100015361967 [0,2,0,0,0,0|2,0,0]=4 4252 B13R1.2357 COc1cccc(c1C(=O)CF)F 1458a_100000759380_100015361967 [0,2,0,0,0,0|2,0,0]=4 4253 B13R1.2357 COc1cccc(c1C(=O)CF)I 1458a_100010179659_100015361967 [0,2,0,0,0,0|2,0,0]=4 4254 B13R1.2357 COc1cccc(c1C(=O)CF)O 1458a_100000043310_100015361967 [0,2,0,0,0,0|2,0,0]=4 4255 B13R1.163 CC(C)C(=O)c1ccc(cc1O)Br 1458a_100000744433_100000210206 [0,2,0,0,0,0|2,0,0]=4 4256 B13R1.163 CC(C)C(=O)c1ccc(cc1O)Cl 1458a_100000188622_100000210206 [0,2,0,0,0,0|2,0,0]=4 4257 B13R1.163 CC(C)C(=O)c1ccc(cc1O)F 1458a_100000746061_100000210206 [0,2,0,0,0,0|2,0,0]=4 4258 B13R1.163 CC(C)C(=O)c1ccc(cc1O)I 1458a_100000091984_100000210206 [0,2,0,0,0,0|2,0,0]=4 4259 B13R1.163 CC(C)C(=O)c1ccc(cc1O)O 1458a_100000212172_100000210206 [0,2,0,0,0,0|2,0,0]=4 4260 B13R1.163 CN(C)C(=O)c1ccc(cc1Br)Br 11a_100102631434_100000762965 [0,2,0,0,0,0|2,0,0]=4 4261 B13R1.163 CN(C)C(=O)c1ccc(cc1Br)Br 1626a_100102631434_100000762965 [0,2,0,0,0,0|2,0,0]=4 4262 B13R1.163 CN(C)C(=O)c1ccc(cc1Br)Br 240690a_100102631434_100000762965 [0,2,0,0,0,0|2,0,0]=4 4263 B13R1.163 CN(C)C(=O)c1ccc(cc1Br)Br 527a_100102631434_100000762965 [0,2,0,0,0,0|2,0,0]=4 4264 B13R1.163 CN(C)C(=O)c1ccc(cc1Br)Cl 11a_100102631434_100000766353 [0,2,0,0,0,0|2,0,0]=4 4265 B13R1.163 CN(C)C(=O)c1ccc(cc1Br)Cl 1626a_100102631434_100000766353 [0,2,0,0,0,0|2,0,0]=4 4266 B13R1.163 CN(C)C(=O)c1ccc(cc1Br)Cl 240690a_100102631434_100000766353 [0,2,0,0,0,0|2,0,0]=4 4267 B13R1.163 CN(C)C(=O)c1ccc(cc1Br)Cl 527a_100102631434_100000766353 [0,2,0,0,0,0|2,0,0]=4 4268 B13R1.163 CN(C)C(=O)c1ccc(cc1Br)F 11a_100102631434_100000212304 [0,2,0,0,0,0|2,0,0]=4 4269 B13R1.163 CN(C)C(=O)c1ccc(cc1Br)F 1626a_100102631434_100000212304 [0,2,0,0,0,0|2,0,0]=4 4270 B13R1.163 CN(C)C(=O)c1ccc(cc1Br)F 240690a_100102631434_100000212304 [0,2,0,0,0,0|2,0,0]=4 4271 B13R1.163 CN(C)C(=O)c1ccc(cc1Br)F 527a_100102631434_100000212304 [0,2,0,0,0,0|2,0,0]=4 4272 B13R1.163 CN(C)C(=O)c1ccc(cc1Br)I 11a_100102631434_100012360512 [0,2,0,0,0,0|2,0,0]=4 4273 B13R1.163 CN(C)C(=O)c1ccc(cc1Br)I 1626a_100102631434_100012360512 [0,2,0,0,0,0|2,0,0]=4 4274 B13R1.163 CN(C)C(=O)c1ccc(cc1Br)I 240690a_100102631434_100012360512 [0,2,0,0,0,0|2,0,0]=4 4275 B13R1.163 CN(C)C(=O)c1ccc(cc1Br)I 527a_100102631434_100012360512 [0,2,0,0,0,0|2,0,0]=4 4276 B13R1.163 CN(C)C(=O)c1ccc(cc1Br)O 240690a_100102631434_100012344906 [0,2,0,0,0,0|2,0,0]=4 4277 B13R1.163 CN(C)C(=O)c1ccc(cc1Br)O 527a_100102631434_100012344906 [0,2,0,0,0,0|2,0,0]=4 4278 B13R1.163 CN(C)C(=O)c1ccc(cc1Cl)Br 11a_100102631434_100000741628 [0,2,0,0,0,0|2,0,0]=4 4279 B13R1.163 CN(C)C(=O)c1ccc(cc1Cl)Br 1626a_100102631434_100000741628 [0,2,0,0,0,0|2,0,0]=4 4280 B13R1.163 CN(C)C(=O)c1ccc(cc1Cl)Br 240690a_100102631434_100000741628 [0,2,0,0,0,0|2,0,0]=4 4281 B13R1.163 CN(C)C(=O)c1ccc(cc1Cl)Br 527a_100102631434_100000741628 [0,2,0,0,0,0|2,0,0]=4 4282 B13R1.163 CN(C)C(=O)c1ccc(cc1Cl)Cl 11a_100102631434_100000185840 [0,2,0,0,0,0|2,0,0]=4 4283 B13R1.163 CN(C)C(=O)c1ccc(cc1Cl)Cl 1626a_100102631434_100000185840 [0,2,0,0,0,0|2,0,0]=4 4284 B13R1.163 CN(C)C(=O)c1ccc(cc1Cl)Cl 240690a_100102631434_100000185840 [0,2,0,0,0,0|2,0,0]=4 4285 B13R1.163 CN(C)C(=O)c1ccc(cc1Cl)Cl 527a_100102631434_100000185840 [0,2,0,0,0,0|2,0,0]=4 4286 B13R1.163 CN(C)C(=O)c1ccc(cc1Cl)F 11a_100102631434_100000211397 [0,2,0,0,0,0|2,0,0]=4 4287 B13R1.163 CN(C)C(=O)c1ccc(cc1Cl)F 1626a_100102631434_100000211397 [0,2,0,0,0,0|2,0,0]=4 4288 B13R1.163 CN(C)C(=O)c1ccc(cc1Cl)F 240690a_100102631434_100000211397 [0,2,0,0,0,0|2,0,0]=4 4289 B13R1.163 CN(C)C(=O)c1ccc(cc1Cl)F 527a_100102631434_100000211397 [0,2,0,0,0,0|2,0,0]=4 4290 B13R1.163 CN(C)C(=O)c1ccc(cc1Cl)I 11a_100102631434_100000751301 [0,2,0,0,0,0|2,0,0]=4 4291 B13R1.163 CN(C)C(=O)c1ccc(cc1Cl)I 1626a_100102631434_100000751301 [0,2,0,0,0,0|2,0,0]=4 4292 B13R1.163 CN(C)C(=O)c1ccc(cc1Cl)I 240690a_100102631434_100000751301 [0,2,0,0,0,0|2,0,0]=4 4293 B13R1.163 CN(C)C(=O)c1ccc(cc1Cl)I 527a_100102631434_100000751301 [0,2,0,0,0,0|2,0,0]=4 4294 B13R1.163 CN(C)C(=O)c1ccc(cc1Cl)O 240690a_100102631434_100000702456 [0,2,0,0,0,0|2,0,0]=4 4295 B13R1.163 CN(C)C(=O)c1ccc(cc1Cl)O 527a_100102631434_100000702456 [0,2,0,0,0,0|2,0,0]=4 4296 B13R1.163 CN(C)C(=O)c1ccc(cc1F)Br 11a_100102631434_100000214689 [0,2,0,0,0,0|2,0,0]=4 4297 B13R1.163 CN(C)C(=O)c1ccc(cc1F)Br 1626a_100102631434_100000214689 [0,2,0,0,0,0|2,0,0]=4 4298 B13R1.163 CN(C)C(=O)c1ccc(cc1F)Br 240690a_100102631434_100000214689 [0,2,0,0,0,0|2,0,0]=4 4299 B13R1.163 CN(C)C(=O)c1ccc(cc1F)Br 527a_100102631434_100000214689 [0,2,0,0,0,0|2,0,0]=4 4300 B13R1.163 CN(C)C(=O)c1ccc(cc1F)Cl 11a_100102631434_100000212326 [0,2,0,0,0,0|2,0,0]=4 4301 B13R1.163 CN(C)C(=O)c1ccc(cc1F)Cl 1626a_100102631434_100000212326 [0,2,0,0,0,0|2,0,0]=4 4302 B13R1.163 CN(C)C(=O)c1ccc(cc1F)Cl 240690a_100102631434_100000212326 [0,2,0,0,0,0|2,0,0]=4 4303 B13R1.163 CN(C)C(=O)c1ccc(cc1F)Cl 527a_100102631434_100000212326 [0,2,0,0,0,0|2,0,0]=4 4304 B13R1.163 CN(C)C(=O)c1ccc(cc1F)F 11a_100102631434_100000211022 [0,2,0,0,0,0|2,0,0]=4 4305 B13R1.163 CN(C)C(=O)c1ccc(cc1F)F 1626a_100102631434_100000211022 [0,2,0,0,0,0|2,0,0]=4 4306 B13R1.163 CN(C)C(=O)c1ccc(cc1F)F 240690a_100102631434_100000211022 [0,2,0,0,0,0|2,0,0]=4 4307 B13R1.163 CN(C)C(=O)c1ccc(cc1F)F 527a_100102631434_100000211022 [0,2,0,0,0,0|2,0,0]=4 4308 B13R1.163 CN(C)C(=O)c1ccc(cc1F)I 11a_100102631434_100000037189 [0,2,0,0,0,0|2,0,0]=4 4309 B13R1.163 CN(C)C(=O)c1ccc(cc1F)I 1626a_100102631434_100000037189 [0,2,0,0,0,0|2,0,0]=4 4310 B13R1.163 CN(C)C(=O)c1ccc(cc1F)I 240690a_100102631434_100000037189 [0,2,0,0,0,0|2,0,0]=4 4311 B13R1.163 CN(C)C(=O)c1ccc(cc1F)I 527a_100102631434_100000037189 [0,2,0,0,0,0|2,0,0]=4 4312 B13R1.163 CN(C)C(=O)c1ccc(cc1F)O 240690a_100102631434_100000689029 [0,2,0,0,0,0|2,0,0]=4 4313 B13R1.163 CN(C)C(=O)c1ccc(cc1F)O 271570a_203496583355_200000216859 [0,2,0,0,0,0|2,0,0]=4 4314 B13R1.163 CN(C)C(=O)c1ccc(cc1F)O 527a_100102631434_100000689029 [0,2,0,0,0,0|2,0,0]=4 4315 B13R1.163 CN(C)C(=O)c1ccc(cc1I)Br 11a_100102631434_100000751167 [0,2,0,0,0,0|2,0,0]=4 4316 B13R1.163 CN(C)C(=O)c1ccc(cc1I)Br 1626a_100102631434_100000751167 [0,2,0,0,0,0|2,0,0]=4 4317 B13R1.163 CN(C)C(=O)c1ccc(cc1I)Br 240690a_100102631434_100000751167 [0,2,0,0,0,0|2,0,0]=4 4318 B13R1.163 CN(C)C(=O)c1ccc(cc1I)Br 527a_100102631434_100000751167 [0,2,0,0,0,0|2,0,0]=4 4319 B13R1.163 CN(C)C(=O)c1ccc(cc1I)Cl 11a_100102631434_100000739380 [0,2,0,0,0,0|2,0,0]=4 4320 B13R1.163 CN(C)C(=O)c1ccc(cc1I)Cl 1626a_100102631434_100000739380 [0,2,0,0,0,0|2,0,0]=4 4321 B13R1.163 CN(C)C(=O)c1ccc(cc1I)Cl 240690a_100102631434_100000739380 [0,2,0,0,0,0|2,0,0]=4 4322 B13R1.163 CN(C)C(=O)c1ccc(cc1I)Cl 527a_100102631434_100000739380 [0,2,0,0,0,0|2,0,0]=4 4323 B13R1.163 CN(C)C(=O)c1ccc(cc1I)F 11a_100102631434_100000739341 [0,2,0,0,0,0|2,0,0]=4 4324 B13R1.163 CN(C)C(=O)c1ccc(cc1I)F 1626a_100102631434_100000739341 [0,2,0,0,0,0|2,0,0]=4 4325 B13R1.163 CN(C)C(=O)c1ccc(cc1I)F 240690a_100102631434_100000739341 [0,2,0,0,0,0|2,0,0]=4 4326 B13R1.163 CN(C)C(=O)c1ccc(cc1I)F 527a_100102631434_100000739341 [0,2,0,0,0,0|2,0,0]=4 4327 B13R1.163 CN(C)C(=O)c1ccc(cc1O)Br 240690a_100102631434_100000744433 [0,2,0,0,0,0|1,0,0]=3 4328 B13R1.163 CN(C)C(=O)c1ccc(cc1O)Br 527a_100102631434_100000744433 [0,2,0,0,0,0|1,0,0]=3 4329 B13R1.163 CN(C)C(=O)c1ccc(cc1O)Cl 11a_100102631434_100000188622 [0,2,0,0,0,0|1,0,0]=3 4330 B13R1.163 CN(C)C(=O)c1ccc(cc1O)Cl 240690a_100102631434_100000188622 [0,2,0,0,0,0|1,0,0]=3 4331 B13R1.163 CN(C)C(=O)c1ccc(cc1O)Cl 527a_100102631434_100000188622 [0,2,0,0,0,0|1,0,0]=3 4332 B13R1.163 CN(C)C(=O)c1ccc(cc1O)F 240690a_100102631434_100000746061 [0,2,0,0,0,0|1,0,0]=3 4333 B13R1.163 CN(C)C(=O)c1ccc(cc1O)F 527a_100102631434_100000746061 [0,2,0,0,0,0|1,0,0]=3 4334 B13R1.163 CN(C)C(=O)c1ccc(cc1O)I 240690a_100102631434_100000091984 [0,2,0,0,0,0|1,0,0]=3 4335 B13R1.163 CN(C)C(=O)c1ccc(cc1O)I 527a_100102631434_100000091984 [0,2,0,0,0,0|1,0,0]=3 4336 B13R1.163 Cc1cc(ccc1C(=O)N(C)C)Br 11a_100102631434_100000741311 [0,2,0,0,0,0|2,0,0]=4 4337 B13R1.163 Cc1cc(ccc1C(=O)N(C)C)Br 1626a_100102631434_100000741311 [0,2,0,0,0,0|2,0,0]=4 4338 B13R1.163 Cc1cc(ccc1C(=O)N(C)C)Br 240690a_100102631434_100000741311 [0,2,0,0,0,0|2,0,0]=4 4339 B13R1.163 Cc1cc(ccc1C(=O)N(C)C)Br 527a_100102631434_100000741311 [0,2,0,0,0,0|2,0,0]=4 4340 B13R1.163 Cc1cc(ccc1C(=O)N(C)C)Cl 11a_100102631434_100000688705 [0,2,0,0,0,0|2,0,0]=4 4341 B13R1.163 Cc1cc(ccc1C(=O)N(C)C)Cl 1626a_100102631434_100000688705 [0,2,0,0,0,0|2,0,0]=4 4342 B13R1.163 Cc1cc(ccc1C(=O)N(C)C)Cl 240690a_100102631434_100000688705 [0,2,0,0,0,0|2,0,0]=4 4343 B13R1.163 Cc1cc(ccc1C(=O)N(C)C)Cl 527a_100102631434_100000688705 [0,2,0,0,0,0|2,0,0]=4 4344 B13R1.163 Cc1cc(ccc1C(=O)N(C)C)F 11a_100102631434_100000686989 [0,2,0,0,0,0|2,0,0]=4 4345 B13R1.163 Cc1cc(ccc1C(=O)N(C)C)F 1626a_100102631434_100000686989 [0,2,0,0,0,0|2,0,0]=4 4346 B13R1.163 Cc1cc(ccc1C(=O)N(C)C)F 240690a_100102631434_100000686989 [0,2,0,0,0,0|2,0,0]=4 4347 B13R1.163 Cc1cc(ccc1C(=O)N(C)C)F 527a_100102631434_100000686989 [0,2,0,0,0,0|2,0,0]=4 4348 B13R1.163 Cc1cc(ccc1C(=O)N(C)C)I 11a_100102631434_100010189873 [0,2,0,0,0,0|2,0,0]=4 4349 B13R1.163 Cc1cc(ccc1C(=O)N(C)C)I 1626a_100102631434_100010189873 [0,2,0,0,0,0|2,0,0]=4 4350 B13R1.163 Cc1cc(ccc1C(=O)N(C)C)I 240690a_100102631434_100010189873 [0,2,0,0,0,0|2,0,0]=4 4351 B13R1.163 Cc1cc(ccc1C(=O)N(C)C)I 527a_100102631434_100010189873 [0,2,0,0,0,0|2,0,0]=4 4352 B13R1.163 Cc1cc(ccc1C(=O)N(C)C)O 240690a_100102631434_100000692822 [0,2,0,0,0,0|2,0,0]=4 4353 B13R1.163 Cc1cc(ccc1C(=O)N(C)C)O 527a_100102631434_100000692822 [0,2,0,0,0,0|2,0,0]=4 4354 B13R1.163 Cc1ccc(c(c1)Br)C(=O)N(C)C 11a_100102631434_100000685072 [0,2,0,0,0,0|2,0,0]=4 4355 B13R1.163 Cc1ccc(c(c1)Br)C(=O)N(C)C 1626a_100102631434_100000685072 [0,2,0,0,0,0|2,0,0]=4 4356 B13R1.163 Cc1ccc(c(c1)Br)C(=O)N(C)C 240690a_100102631434_100000685072 [0,2,0,0,0,0|2,0,0]=4 4357 B13R1.163 Cc1ccc(c(c1)Br)C(=O)N(C)C 527a_100102631434_100000685072 [0,2,0,0,0,0|2,0,0]=4 4358 B13R1.163 Cc1ccc(c(c1)C)C(=O)N(C)C 11a_100102631434_100000211164 [0,2,0,0,0,0|2,0,0]=4 4359 B13R1.163 Cc1ccc(c(c1)C)C(=O)N(C)C 1626a_100102631434_100000211164 [0,2,0,0,0,0|2,0,0]=4 4360 B13R1.163 Cc1ccc(c(c1)C)C(=O)N(C)C 240690a_100102631434_100000211164 [0,2,0,0,0,0|2,0,0]=4 4361 B13R1.163 Cc1ccc(c(c1)C)C(=O)N(C)C 527a_100102631434_100000211164 [0,2,0,0,0,0|2,0,0]=4 4362 B13R1.163 Cc1ccc(c(c1)Cl)C(=O)N(C)C 11a_100102631434_100000766932 [0,2,0,0,0,0|2,0,0]=4 4363 B13R1.163 Cc1ccc(c(c1)Cl)C(=O)N(C)C 1626a_100102631434_100000766932 [0,2,0,0,0,0|2,0,0]=4 4364 B13R1.163 Cc1ccc(c(c1)Cl)C(=O)N(C)C 240690a_100102631434_100000766932 [0,2,0,0,0,0|2,0,0]=4 4365 B13R1.163 Cc1ccc(c(c1)Cl)C(=O)N(C)C 527a_100102631434_100000766932 [0,2,0,0,0,0|2,0,0]=4 4366 B13R1.163 Cc1ccc(c(c1)F)C(=O)N(C)C 11a_100102631434_100000766033 [0,2,0,0,0,0|2,0,0]=4 4367 B13R1.163 Cc1ccc(c(c1)F)C(=O)N(C)C 1626a_100102631434_100000766033 [0,2,0,0,0,0|2,0,0]=4 4368 B13R1.163 Cc1ccc(c(c1)F)C(=O)N(C)C 240690a_100102631434_100000766033 [0,2,0,0,0,0|2,0,0]=4 4369 B13R1.163 Cc1ccc(c(c1)F)C(=O)N(C)C 527a_100102631434_100000766033 [0,2,0,0,0,0|2,0,0]=4 4370 B13R1.163 Cc1ccc(c(c1)I)C(=O)N(C)C 11a_100102631434_100009999607 [0,2,0,0,0,0|2,0,0]=4 4371 B13R1.163 Cc1ccc(c(c1)I)C(=O)N(C)C 1626a_100102631434_100009999607 [0,2,0,0,0,0|2,0,0]=4 4372 B13R1.163 Cc1ccc(c(c1)I)C(=O)N(C)C 240690a_100102631434_100009999607 [0,2,0,0,0,0|2,0,0]=4 4373 B13R1.163 Cc1ccc(c(c1)I)C(=O)N(C)C 527a_100102631434_100009999607 [0,2,0,0,0,0|2,0,0]=4 4374 B13R1.163 Cc1ccc(c(c1)O)C(=O)C(C)C 1458a_100000212137_100000210206 [0,2,0,0,0,0|2,0,0]=4 4375 B13R1.163 Cc1ccc(c(c1)O)C(=O)N(C)C 1626a_100102631434_100000212137 [0,2,0,0,0,0|1,0,0]=3 4376 B13R1.163 Cc1ccc(c(c1)O)C(=O)N(C)C 240690a_100102631434_100000212137 [0,2,0,0,0,0|1,0,0]=3 4377 B13R1.163 Cc1ccc(c(c1)O)C(=O)N(C)C 527a_100102631434_100000212137 [0,2,0,0,0,0|1,0,0]=3 4378 B13R1.276 O=C(c1ccccc1O)C(F)(F)F 1458a_100015234032_200000243211 [0,2,0,0,0,0|2,0,0]=4 4379 B13R1.276 O=C(c1ccccc1O)C(F)(F)F 271570a_203496583355_100015188602 [0,2,0,0,0,0|2,0,0]=4 4380 B13R1.897 CC(C)C(=O)c1cc(ccc1O)Br 1458a_100000212140_100000210206 [0,2,0,0,0,0|2,0,0]=4 4381 B13R1.897 CC(C)C(=O)c1cc(ccc1O)Cl 1458a_100000212143_100000210206 [0,2,0,0,0,0|2,0,0]=4 4382 B13R1.897 CC(C)C(=O)c1cc(ccc1O)F 1458a_100000742286_100000210206 [0,2,0,0,0,0|2,0,0]=4 4383 B13R1.897 CC(C)C(=O)c1cc(ccc1O)I 1458a_100000212111_100000210206 [0,2,0,0,0,0|2,0,0]=4 4384 B13R1.897 CC(C)C(=O)c1cc(ccc1O)O 1458a_100000758025_100000210206 [0,2,0,0,0,0|2,0,0]=4 4385 B13R1.897 CN(C)C(=O)c1cc(ccc1Br)Br 11a_100102631434_100000690610 [0,2,0,0,0,0|2,0,0]=4 4386 B13R1.897 CN(C)C(=O)c1cc(ccc1Br)Br 1626a_100102631434_100000690610 [0,2,0,0,0,0|2,0,0]=4 4387 B13R1.897 CN(C)C(=O)c1cc(ccc1Br)Br 240690a_100102631434_100000690610 [0,2,0,0,0,0|2,0,0]=4 4388 B13R1.897 CN(C)C(=O)c1cc(ccc1Br)Br 527a_100102631434_100000690610 [0,2,0,0,0,0|2,0,0]=4 4389 B13R1.897 CN(C)C(=O)c1cc(ccc1Br)Cl 11a_100102631434_100000736951 [0,2,0,0,0,0|2,0,0]=4 4390 B13R1.897 CN(C)C(=O)c1cc(ccc1Br)Cl 1626a_100102631434_100000736951 [0,2,0,0,0,0|2,0,0]=4 4391 B13R1.897 CN(C)C(=O)c1cc(ccc1Br)Cl 240690a_100102631434_100000736951 [0,2,0,0,0,0|2,0,0]=4 4392 B13R1.897 CN(C)C(=O)c1cc(ccc1Br)Cl 527a_100102631434_100000736951 [0,2,0,0,0,0|2,0,0]=4 4393 B13R1.897 CN(C)C(=O)c1cc(ccc1Br)F 11a_100102631434_100000212315 [0,2,0,0,0,0|2,0,0]=4 4394 B13R1.897 CN(C)C(=O)c1cc(ccc1Br)F 1626a_100102631434_100000212315 [0,2,0,0,0,0|2,0,0]=4 4395 B13R1.897 CN(C)C(=O)c1cc(ccc1Br)F 240690a_100102631434_100000212315 [0,2,0,0,0,0|2,0,0]=4 4396 B13R1.897 CN(C)C(=O)c1cc(ccc1Br)F 527a_100102631434_100000212315 [0,2,0,0,0,0|2,0,0]=4 4397 B13R1.897 CN(C)C(=O)c1cc(ccc1Br)I 11a_100102631434_100000698340 [0,2,0,0,0,0|2,0,0]=4 4398 B13R1.897 CN(C)C(=O)c1cc(ccc1Br)I 1626a_100102631434_100000698340 [0,2,0,0,0,0|2,0,0]=4 4399 B13R1.897 CN(C)C(=O)c1cc(ccc1Br)I 240690a_100102631434_100000698340 [0,2,0,0,0,0|2,0,0]=4 4400 B13R1.897 CN(C)C(=O)c1cc(ccc1Br)I 527a_100102631434_100000698340 [0,2,0,0,0,0|2,0,0]=4 4401 B13R1.897 CN(C)C(=O)c1cc(ccc1Br)O 240690a_100102631434_100012352043 [0,2,0,0,0,0|2,0,0]=4 4402 B13R1.897 CN(C)C(=O)c1cc(ccc1Br)O 527a_100102631434_100012352043 [0,2,0,0,0,0|2,0,0]=4 4403 B13R1.897 CN(C)C(=O)c1cc(ccc1Cl)Br 11a_100102631434_100000211212 [0,2,0,0,0,0|2,0,0]=4 4404 B13R1.897 CN(C)C(=O)c1cc(ccc1Cl)Br 1626a_100102631434_100000211212 [0,2,0,0,0,0|2,0,0]=4 4405 B13R1.897 CN(C)C(=O)c1cc(ccc1Cl)Br 240690a_100102631434_100000211212 [0,2,0,0,0,0|2,0,0]=4 4406 B13R1.897 CN(C)C(=O)c1cc(ccc1Cl)Br 527a_100102631434_100000211212 [0,2,0,0,0,0|2,0,0]=4 4407 B13R1.897 CN(C)C(=O)c1cc(ccc1Cl)Cl 11a_100102631434_100000210642 [0,2,0,0,0,0|2,0,0]=4 4408 B13R1.897 CN(C)C(=O)c1cc(ccc1Cl)Cl 1626a_100102631434_100000210642 [0,2,0,0,0,0|2,0,0]=4 4409 B13R1.897 CN(C)C(=O)c1cc(ccc1Cl)Cl 240690a_100102631434_100000210642 [0,2,0,0,0,0|2,0,0]=4 4410 B13R1.897 CN(C)C(=O)c1cc(ccc1Cl)Cl 527a_100102631434_100000210642 [0,2,0,0,0,0|2,0,0]=4 4411 B13R1.897 CN(C)C(=O)c1cc(ccc1Cl)F 11a_100102631434_100011219680 [0,2,0,0,0,0|2,0,0]=4 4412 B13R1.897 CN(C)C(=O)c1cc(ccc1Cl)F 1626a_100102631434_100011219680 [0,2,0,0,0,0|2,0,0]=4 4413 B13R1.897 CN(C)C(=O)c1cc(ccc1Cl)F 240690a_100102631434_100011219680 [0,2,0,0,0,0|2,0,0]=4 4414 B13R1.897 CN(C)C(=O)c1cc(ccc1Cl)F 527a_100102631434_100011219680 [0,2,0,0,0,0|2,0,0]=4 4415 B13R1.897 CN(C)C(=O)c1cc(ccc1Cl)I 11a_100102631434_100000688013 [0,2,0,0,0,0|2,0,0]=4 4416 B13R1.897 CN(C)C(=O)c1cc(ccc1Cl)I 1626a_100102631434_100000688013 [0,2,0,0,0,0|2,0,0]=4 4417 B13R1.897 CN(C)C(=O)c1cc(ccc1Cl)I 240690a_100102631434_100000688013 [0,2,0,0,0,0|2,0,0]=4 4418 B13R1.897 CN(C)C(=O)c1cc(ccc1Cl)I 527a_100102631434_100000688013 [0,2,0,0,0,0|2,0,0]=4 4419 B13R1.897 CN(C)C(=O)c1cc(ccc1Cl)O 240690a_100102631434_100000719527 [0,2,0,0,0,0|2,0,0]=4 4420 B13R1.897 CN(C)C(=O)c1cc(ccc1Cl)O 527a_100102631434_100000719527 [0,2,0,0,0,0|2,0,0]=4 4421 B13R1.897 CN(C)C(=O)c1cc(ccc1F)Br 11a_100102631434_100000212322 [0,2,0,0,0,0|2,0,0]=4 4422 B13R1.897 CN(C)C(=O)c1cc(ccc1F)Br 1626a_100102631434_100000212322 [0,2,0,0,0,0|2,0,0]=4 4423 B13R1.897 CN(C)C(=O)c1cc(ccc1F)Br 240690a_100102631434_100000212322 [0,2,0,0,0,0|2,0,0]=4 4424 B13R1.897 CN(C)C(=O)c1cc(ccc1F)Br 527a_100102631434_100000212322 [0,2,0,0,0,0|2,0,0]=4 4425 B13R1.897 CN(C)C(=O)c1cc(ccc1F)Cl 11a_100102631434_100000214954 [0,2,0,0,0,0|2,0,0]=4 4426 B13R1.897 CN(C)C(=O)c1cc(ccc1F)Cl 1626a_100102631434_100000214954 [0,2,0,0,0,0|2,0,0]=4 4427 B13R1.897 CN(C)C(=O)c1cc(ccc1F)Cl 240690a_100102631434_100000214954 [0,2,0,0,0,0|2,0,0]=4 4428 B13R1.897 CN(C)C(=O)c1cc(ccc1F)Cl 527a_100102631434_100000214954 [0,2,0,0,0,0|2,0,0]=4 4429 B13R1.897 CN(C)C(=O)c1cc(ccc1F)F 11a_100102631434_100000198512 [0,2,0,0,0,0|2,0,0]=4 4430 B13R1.897 CN(C)C(=O)c1cc(ccc1F)F 1626a_100102631434_100000198512 [0,2,0,0,0,0|2,0,0]=4 4431 B13R1.897 CN(C)C(=O)c1cc(ccc1F)F 240690a_100102631434_100000198512 [0,2,0,0,0,0|2,0,0]=4 4432 B13R1.897 CN(C)C(=O)c1cc(ccc1F)F 527a_100102631434_100000198512 [0,2,0,0,0,0|2,0,0]=4 4433 B13R1.897 CN(C)C(=O)c1cc(ccc1F)I 11a_100102631434_100000688014 [0,2,0,0,0,0|2,0,0]=4 4434 B13R1.897 CN(C)C(=O)c1cc(ccc1F)I 1626a_100102631434_100000688014 [0,2,0,0,0,0|2,0,0]=4 4435 B13R1.897 CN(C)C(=O)c1cc(ccc1F)I 240690a_100102631434_100000688014 [0,2,0,0,0,0|2,0,0]=4 4436 B13R1.897 CN(C)C(=O)c1cc(ccc1F)I 527a_100102631434_100000688014 [0,2,0,0,0,0|2,0,0]=4 4437 B13R1.897 CN(C)C(=O)c1cc(ccc1F)O 240690a_100102631434_100000037260 [0,2,0,0,0,0|2,0,0]=4 4438 B13R1.897 CN(C)C(=O)c1cc(ccc1F)O 271570a_203496583355_200000159508 [0,2,0,0,0,0|2,0,0]=4 4439 B13R1.897 CN(C)C(=O)c1cc(ccc1F)O 527a_100102631434_100000037260 [0,2,0,0,0,0|2,0,0]=4 4440 B13R1.897 CN(C)C(=O)c1cc(ccc1I)Br 11a_100102631434_100000183945 [0,2,0,0,0,0|2,0,0]=4 4441 B13R1.897 CN(C)C(=O)c1cc(ccc1I)Br 1626a_100102631434_100000183945 [0,2,0,0,0,0|2,0,0]=4 4442 B13R1.897 CN(C)C(=O)c1cc(ccc1I)Br 240690a_100102631434_100000183945 [0,2,0,0,0,0|2,0,0]=4 4443 B13R1.897 CN(C)C(=O)c1cc(ccc1I)Cl 11a_100102631434_100000739379 [0,2,0,0,0,0|2,0,0]=4 4444 B13R1.897 CN(C)C(=O)c1cc(ccc1I)Cl 1626a_100102631434_100000739379 [0,2,0,0,0,0|2,0,0]=4 4445 B13R1.897 CN(C)C(=O)c1cc(ccc1I)Cl 240690a_100102631434_100000739379 [0,2,0,0,0,0|2,0,0]=4 4446 B13R1.897 CN(C)C(=O)c1cc(ccc1I)Cl 527a_100102631434_100000739379 [0,2,0,0,0,0|2,0,0]=4 4447 B13R1.897 CN(C)C(=O)c1cc(ccc1I)F 11a_100102631434_100000748905 [0,2,0,0,0,0|2,0,0]=4 4448 B13R1.897 CN(C)C(=O)c1cc(ccc1I)F 1626a_100102631434_100000748905 [0,2,0,0,0,0|2,0,0]=4 4449 B13R1.897 CN(C)C(=O)c1cc(ccc1I)F 240690a_100102631434_100000748905 [0,2,0,0,0,0|2,0,0]=4 4450 B13R1.897 CN(C)C(=O)c1cc(ccc1I)F 527a_100102631434_100000748905 [0,2,0,0,0,0|2,0,0]=4 4451 B13R1.897 CN(C)C(=O)c1cc(ccc1I)I 11a_100102631434_100000750460 [0,2,0,0,0,0|2,0,0]=4 4452 B13R1.897 CN(C)C(=O)c1cc(ccc1I)I 1626a_100102631434_100000750460 [0,2,0,0,0,0|2,0,0]=4 4453 B13R1.897 CN(C)C(=O)c1cc(ccc1I)I 240690a_100102631434_100000750460 [0,2,0,0,0,0|2,0,0]=4 4454 B13R1.897 CN(C)C(=O)c1cc(ccc1I)I 527a_100102631434_100000750460 [0,2,0,0,0,0|2,0,0]=4 4455 B13R1.897 CN(C)C(=O)c1cc(ccc1I)O 1626a_100102631434_200009995701 [0,2,0,0,0,0|2,0,0]=4 4456 B13R1.897 CN(C)C(=O)c1cc(ccc1I)O 240690a_100102631434_200009995701 [0,2,0,0,0,0|2,0,0]=4 4457 B13R1.897 CN(C)C(=O)c1cc(ccc1I)O 527a_100102631434_200009995701 [0,2,0,0,0,0|2,0,0]=4 4458 B13R1.897 CN(C)C(=O)c1cc(ccc1N)O 271570a_203496583355_100012355269 [0,2,0,0,0,0|2,0,0]=4 4459 B13R1.897 CN(C)C(=O)c1cc(ccc1O)Br 1626a_100102631434_100000212140 [0,2,0,0,0,0|1,0,0]=3 4460 B13R1.897 CN(C)C(=O)c1cc(ccc1O)Br 240690a_100102631434_100000212140 [0,2,0,0,0,0|1,0,0]=3 4461 B13R1.897 CN(C)C(=O)c1cc(ccc1O)Br 527a_100102631434_100000212140 [0,2,0,0,0,0|1,0,0]=3 4462 B13R1.897 CN(C)C(=O)c1cc(ccc1O)Cl 11a_100102631434_100000212143 [0,2,0,0,0,0|1,0,0]=3 4463 B13R1.897 CN(C)C(=O)c1cc(ccc1O)Cl 1626a_100102631434_100000212143 [0,2,0,0,0,0|1,0,0]=3 4464 B13R1.897 CN(C)C(=O)c1cc(ccc1O)Cl 240690a_100102631434_100000212143 [0,2,0,0,0,0|1,0,0]=3 4465 B13R1.897 CN(C)C(=O)c1cc(ccc1O)Cl 527a_100102631434_100000212143 [0,2,0,0,0,0|1,0,0]=3 4466 B13R1.897 CN(C)C(=O)c1cc(ccc1O)F 240690a_100102631434_100000742286 [0,2,0,0,0,0|1,0,0]=3 4467 B13R1.897 CN(C)C(=O)c1cc(ccc1O)F 271570a_203496583355_200000206186 [0,2,0,0,0,0|1,0,0]=3 4468 B13R1.897 CN(C)C(=O)c1cc(ccc1O)F 527a_100102631434_100000742286 [0,2,0,0,0,0|1,0,0]=3 4469 B13R1.897 CN(C)C(=O)c1cc(ccc1O)I 240690a_100102631434_100000212111 [0,2,0,0,0,0|1,0,0]=3 4470 B13R1.897 CN(C)C(=O)c1cc(ccc1O)I 527a_100102631434_100000212111 [0,2,0,0,0,0|1,0,0]=3 4471 B13R1.897 Cc1ccc(c(c1)C(=O)C(C)C)O 1458a_100000229998_100000210206 [0,2,0,0,0,0|2,0,0]=4 4472 B13R1.897 Cc1ccc(c(c1)C(=O)N(C)C)Br 11a_100102631434_100000689033 [0,2,0,0,0,0|2,0,0]=4 4473 B13R1.897 Cc1ccc(c(c1)C(=O)N(C)C)Br 1626a_100102631434_100000689033 [0,2,0,0,0,0|2,0,0]=4 4474 B13R1.897 Cc1ccc(c(c1)C(=O)N(C)C)Br 240690a_100102631434_100000689033 [0,2,0,0,0,0|2,0,0]=4 4475 B13R1.897 Cc1ccc(c(c1)C(=O)N(C)C)Br 527a_100102631434_100000689033 [0,2,0,0,0,0|2,0,0]=4 4476 B13R1.897 Cc1ccc(c(c1)C(=O)N(C)C)C 11a_100102631434_100000195421 [0,2,0,0,0,0|2,0,0]=4 4477 B13R1.897 Cc1ccc(c(c1)C(=O)N(C)C)C 1626a_100102631434_100000195421 [0,2,0,0,0,0|2,0,0]=4 4478 B13R1.897 Cc1ccc(c(c1)C(=O)N(C)C)C 240690a_100102631434_100000195421 [0,2,0,0,0,0|2,0,0]=4 4479 B13R1.897 Cc1ccc(c(c1)C(=O)N(C)C)C 527a_100102631434_100000195421 [0,2,0,0,0,0|2,0,0]=4 4480 B13R1.897 Cc1ccc(c(c1)C(=O)N(C)C)Cl 11a_100102631434_100011290873 [0,2,0,0,0,0|2,0,0]=4 4481 B13R1.897 Cc1ccc(c(c1)C(=O)N(C)C)Cl 1626a_100102631434_100011290873 [0,2,0,0,0,0|2,0,0]=4 4482 B13R1.897 Cc1ccc(c(c1)C(=O)N(C)C)Cl 240690a_100102631434_100011290873 [0,2,0,0,0,0|2,0,0]=4 4483 B13R1.897 Cc1ccc(c(c1)C(=O)N(C)C)Cl 527a_100102631434_100011290873 [0,2,0,0,0,0|2,0,0]=4 4484 B13R1.897 Cc1ccc(c(c1)C(=O)N(C)C)F 11a_100102631434_100000749327 [0,2,0,0,0,0|2,0,0]=4 4485 B13R1.897 Cc1ccc(c(c1)C(=O)N(C)C)F 1626a_100102631434_100000749327 [0,2,0,0,0,0|2,0,0]=4 4486 B13R1.897 Cc1ccc(c(c1)C(=O)N(C)C)F 240690a_100102631434_100000749327 [0,2,0,0,0,0|2,0,0]=4 4487 B13R1.897 Cc1ccc(c(c1)C(=O)N(C)C)F 527a_100102631434_100000749327 [0,2,0,0,0,0|2,0,0]=4 4488 B13R1.897 Cc1ccc(c(c1)C(=O)N(C)C)I 11a_100102631434_100000057929 [0,2,0,0,0,0|2,0,0]=4 4489 B13R1.897 Cc1ccc(c(c1)C(=O)N(C)C)I 1626a_100102631434_100000057929 [0,2,0,0,0,0|2,0,0]=4 4490 B13R1.897 Cc1ccc(c(c1)C(=O)N(C)C)I 240690a_100102631434_100000057929 [0,2,0,0,0,0|2,0,0]=4 4491 B13R1.897 Cc1ccc(c(c1)C(=O)N(C)C)I 527a_100102631434_100000057929 [0,2,0,0,0,0|2,0,0]=4 4492 B13R1.897 Cc1ccc(c(c1)C(=O)N(C)C)O 240690a_100102631434_100000229998 [0,2,0,0,0,0|1,0,0]=3 4493 B13R1.897 Cc1ccc(c(c1)C(=O)N(C)C)O 527a_100102631434_100000229998 [0,2,0,0,0,0|1,0,0]=3 4494 B13R1.897 Cc1ccc(cc1C(=O)N(C)C)Br 11a_100102631434_100000759961 [0,2,0,0,0,0|2,0,0]=4 4495 B13R1.897 Cc1ccc(cc1C(=O)N(C)C)Br 1626a_100102631434_100000759961 [0,2,0,0,0,0|2,0,0]=4 4496 B13R1.897 Cc1ccc(cc1C(=O)N(C)C)Br 240690a_100102631434_100000759961 [0,2,0,0,0,0|2,0,0]=4 4497 B13R1.897 Cc1ccc(cc1C(=O)N(C)C)Br 527a_100102631434_100000759961 [0,2,0,0,0,0|2,0,0]=4 4498 B13R1.897 Cc1ccc(cc1C(=O)N(C)C)Cl 11a_100102631434_100000692595 [0,2,0,0,0,0|2,0,0]=4 4499 B13R1.897 Cc1ccc(cc1C(=O)N(C)C)Cl 1626a_100102631434_100000692595 [0,2,0,0,0,0|2,0,0]=4 4500 B13R1.897 Cc1ccc(cc1C(=O)N(C)C)Cl 240690a_100102631434_100000692595 [0,2,0,0,0,0|2,0,0]=4 4501 B13R1.897 Cc1ccc(cc1C(=O)N(C)C)Cl 527a_100102631434_100000692595 [0,2,0,0,0,0|2,0,0]=4 4502 B13R1.897 Cc1ccc(cc1C(=O)N(C)C)F 11a_100102631434_100000240043 [0,2,0,0,0,0|2,0,0]=4 4503 B13R1.897 Cc1ccc(cc1C(=O)N(C)C)F 1626a_100102631434_100000240043 [0,2,0,0,0,0|2,0,0]=4 4504 B13R1.897 Cc1ccc(cc1C(=O)N(C)C)F 240690a_100102631434_100000240043 [0,2,0,0,0,0|2,0,0]=4 4505 B13R1.897 Cc1ccc(cc1C(=O)N(C)C)F 527a_100102631434_100000240043 [0,2,0,0,0,0|2,0,0]=4 4506 B13R1.897 Cc1ccc(cc1C(=O)N(C)C)I 11a_100102631434_100000688012 [0,2,0,0,0,0|2,0,0]=4 4507 B13R1.897 Cc1ccc(cc1C(=O)N(C)C)I 1626a_100102631434_100000688012 [0,2,0,0,0,0|2,0,0]=4 4508 B13R1.897 Cc1ccc(cc1C(=O)N(C)C)I 240690a_100102631434_100000688012 [0,2,0,0,0,0|2,0,0]=4 4509 B13R1.897 Cc1ccc(cc1C(=O)N(C)C)I 527a_100102631434_100000688012 [0,2,0,0,0,0|2,0,0]=4 4510 B13R1.897 Cc1ccc(cc1C(=O)N(C)C)O 240690a_100102631434_100000687834 [0,2,0,0,0,0|2,0,0]=4 4511 B13R1.3789 CC(C)C(=O)c1c(cccc1Br)O 1458a_100011935254_100000210206 [0,2,0,0,0,0|2,0,0]=4 4512 B13R1.3789 CC(C)C(=O)c1c(cccc1Cl)O 1458a_100000745519_100000210206 [0,2,0,0,0,0|2,0,0]=4 4513 B13R1.3789 CC(C)C(=O)c1c(cccc1F)O 1458a_100000763259_100000210206 [0,2,0,0,0,0|2,0,0]=4 4514 B13R1.3789 CC(C)C(=O)c1c(cccc1O)O 1458a_100000755285_100000210206 [0,2,0,0,0,0|2,0,0]=4 4515 B13R1.3789 CN(C)C(=O)c1c(cccc1Br)Br 11a_100102631434_100000690891 [0,2,0,0,0,0|2,0,0]=4 4516 B13R1.3789 CN(C)C(=O)c1c(cccc1Br)Br 1626a_100102631434_100000690891 [0,2,0,0,0,0|2,0,0]=4 4517 B13R1.3789 CN(C)C(=O)c1c(cccc1Br)Br 240690a_100102631434_100000690891 [0,2,0,0,0,0|2,0,0]=4 4518 B13R1.3789 CN(C)C(=O)c1c(cccc1Br)Br 527a_100102631434_100000690891 [0,2,0,0,0,0|2,0,0]=4 4519 B13R1.3789 CN(C)C(=O)c1c(cccc1Br)Cl 11a_100102631434_100011253703 [0,2,0,0,0,0|2,0,0]=4 4520 B13R1.3789 CN(C)C(=O)c1c(cccc1Br)Cl 1626a_100102631434_100011253703 [0,2,0,0,0,0|2,0,0]=4 4521 B13R1.3789 CN(C)C(=O)c1c(cccc1Br)Cl 240690a_100102631434_100011253703 [0,2,0,0,0,0|2,0,0]=4 4522 B13R1.3789 CN(C)C(=O)c1c(cccc1Br)Cl 527a_100102631434_100011253703 [0,2,0,0,0,0|2,0,0]=4 4523 B13R1.3789 CN(C)C(=O)c1c(cccc1Br)F 11a_100102631434_100000752694 [0,2,0,0,0,0|2,0,0]=4 4524 B13R1.3789 CN(C)C(=O)c1c(cccc1Br)F 1626a_100102631434_100000752694 [0,2,0,0,0,0|2,0,0]=4 4525 B13R1.3789 CN(C)C(=O)c1c(cccc1Br)F 240690a_100102631434_100000752694 [0,2,0,0,0,0|2,0,0]=4 4526 B13R1.3789 CN(C)C(=O)c1c(cccc1Br)F 527a_100102631434_100000752694 [0,2,0,0,0,0|2,0,0]=4 4527 B13R1.3789 CN(C)C(=O)c1c(cccc1Br)O 240690a_100102631434_100011935254 [0,2,0,0,0,0|1,0,0]=3 4528 B13R1.3789 CN(C)C(=O)c1c(cccc1Br)O 527a_100102631434_100011935254 [0,2,0,0,0,0|1,0,0]=3 4529 B13R1.3789 CN(C)C(=O)c1c(cccc1Cl)Cl 11a_100102631434_100000210656 [0,2,0,0,0,0|2,0,0]=4 4530 B13R1.3789 CN(C)C(=O)c1c(cccc1Cl)Cl 1626a_100102631434_100000210656 [0,2,0,0,0,0|2,0,0]=4 4531 B13R1.3789 CN(C)C(=O)c1c(cccc1Cl)Cl 240690a_100102631434_100000210656 [0,2,0,0,0,0|2,0,0]=4 4532 B13R1.3789 CN(C)C(=O)c1c(cccc1Cl)F 11a_100102631434_100000210369 [0,2,0,0,0,0|2,0,0]=4 4533 B13R1.3789 CN(C)C(=O)c1c(cccc1Cl)F 1626a_100102631434_100000210369 [0,2,0,0,0,0|2,0,0]=4 4534 B13R1.3789 CN(C)C(=O)c1c(cccc1Cl)F 240690a_100102631434_100000210369 [0,2,0,0,0,0|2,0,0]=4 4535 B13R1.3789 CN(C)C(=O)c1c(cccc1Cl)F 527a_100102631434_100000210369 [0,2,0,0,0,0|2,0,0]=4 4536 B13R1.3789 CN(C)C(=O)c1c(cccc1Cl)O 240690a_100102631434_100000745519 [0,2,0,0,0,0|1,0,0]=3 4537 B13R1.3789 CN(C)C(=O)c1c(cccc1Cl)O 527a_100102631434_100000745519 [0,2,0,0,0,0|1,0,0]=3 4538 B13R1.3789 CN(C)C(=O)c1c(cccc1F)F 11a_100102631434_100000210804 [0,2,0,0,0,0|2,0,0]=4 4539 B13R1.3789 CN(C)C(=O)c1c(cccc1F)F 1626a_100102631434_100000210804 [0,2,0,0,0,0|2,0,0]=4 4540 B13R1.3789 CN(C)C(=O)c1c(cccc1F)F 240690a_100102631434_100000210804 [0,2,0,0,0,0|2,0,0]=4 4541 B13R1.3789 CN(C)C(=O)c1c(cccc1F)F 527a_100102631434_100000210804 [0,2,0,0,0,0|2,0,0]=4 4542 B13R1.3789 CN(C)C(=O)c1c(cccc1F)O 527a_100102631434_100000763259 [0,2,0,0,0,0|1,0,0]=3 4543 B13R1.3789 CN(C)C(=O)c1c(cccc1I)Br 11a_100102631434_100010232521 [0,2,0,0,0,0|2,0,0]=4 4544 B13R1.3789 CN(C)C(=O)c1c(cccc1I)Br 1626a_100102631434_100010232521 [0,2,0,0,0,0|2,0,0]=4 4545 B13R1.3789 CN(C)C(=O)c1c(cccc1I)Br 240690a_100102631434_100010232521 [0,2,0,0,0,0|2,0,0]=4 4546 B13R1.3789 CN(C)C(=O)c1c(cccc1I)Br 527a_100102631434_100010232521 [0,2,0,0,0,0|2,0,0]=4 4547 B13R1.3789 CN(C)C(=O)c1c(cccc1I)Cl 11a_100102631434_100000702859 [0,2,0,0,0,0|2,0,0]=4 4548 B13R1.3789 CN(C)C(=O)c1c(cccc1I)Cl 1626a_100102631434_100000702859 [0,2,0,0,0,0|2,0,0]=4 4549 B13R1.3789 CN(C)C(=O)c1c(cccc1I)Cl 240690a_100102631434_100000702859 [0,2,0,0,0,0|2,0,0]=4 4550 B13R1.3789 CN(C)C(=O)c1c(cccc1I)Cl 527a_100102631434_100000702859 [0,2,0,0,0,0|2,0,0]=4 4551 B13R1.3789 CN(C)C(=O)c1c(cccc1I)F 11a_100102631434_100000023732 [0,2,0,0,0,0|2,0,0]=4 4552 B13R1.3789 CN(C)C(=O)c1c(cccc1I)F 1626a_100102631434_100000023732 [0,2,0,0,0,0|2,0,0]=4 4553 B13R1.3789 CN(C)C(=O)c1c(cccc1I)F 240690a_100102631434_100000023732 [0,2,0,0,0,0|2,0,0]=4 4554 B13R1.3789 CN(C)C(=O)c1c(cccc1O)O 527a_100102631434_100000755285 [0,2,0,0,0,0|1,0,0]=3 4555 B13R1.3789 Cc1cccc(c1C(=O)C(C)C)O 1458a_100011934116_100000210206 [0,2,0,0,0,0|2,0,0]=4 4556 B13R1.3789 Cc1cccc(c1C(=O)N(C)C)Br 11a_100102631434_100000701904 [0,2,0,0,0,0|2,0,0]=4 4557 B13R1.3789 Cc1cccc(c1C(=O)N(C)C)Br 1626a_100102631434_100000701904 [0,2,0,0,0,0|2,0,0]=4 4558 B13R1.3789 Cc1cccc(c1C(=O)N(C)C)Br 240690a_100102631434_100000701904 [0,2,0,0,0,0|2,0,0]=4 4559 B13R1.3789 Cc1cccc(c1C(=O)N(C)C)Br 527a_100102631434_100000701904 [0,2,0,0,0,0|2,0,0]=4 4560 B13R1.3789 Cc1cccc(c1C(=O)N(C)C)C 11a_100102631434_100000758298 [0,2,0,0,0,0|2,0,0]=4 4561 B13R1.3789 Cc1cccc(c1C(=O)N(C)C)C 1626a_100102631434_100000758298 [0,2,0,0,0,0|2,0,0]=4 4562 B13R1.3789 Cc1cccc(c1C(=O)N(C)C)C 240690a_100102631434_100000758298 [0,2,0,0,0,0|2,0,0]=4 4563 B13R1.3789 Cc1cccc(c1C(=O)N(C)C)Cl 11a_100102631434_100000692601 [0,2,0,0,0,0|2,0,0]=4 4564 B13R1.3789 Cc1cccc(c1C(=O)N(C)C)Cl 1626a_100102631434_100000692601 [0,2,0,0,0,0|2,0,0]=4 4565 B13R1.3789 Cc1cccc(c1C(=O)N(C)C)Cl 240690a_100102631434_100000692601 [0,2,0,0,0,0|2,0,0]=4 4566 B13R1.3789 Cc1cccc(c1C(=O)N(C)C)F 11a_100102631434_100000762013 [0,2,0,0,0,0|2,0,0]=4 4567 B13R1.3789 Cc1cccc(c1C(=O)N(C)C)F 1626a_100102631434_100000762013 [0,2,0,0,0,0|2,0,0]=4 4568 B13R1.3789 Cc1cccc(c1C(=O)N(C)C)F 240690a_100102631434_100000762013 [0,2,0,0,0,0|2,0,0]=4 4569 B13R1.3789 Cc1cccc(c1C(=O)N(C)C)F 527a_100102631434_100000762013 [0,2,0,0,0,0|2,0,0]=4 4570 B13R1.3789 Cc1cccc(c1C(=O)N(C)C)I 11a_100102631434_100000688020 [0,2,0,0,0,0|2,0,0]=4 4571 B13R1.3789 Cc1cccc(c1C(=O)N(C)C)I 1626a_100102631434_100000688020 [0,2,0,0,0,0|2,0,0]=4 4572 B13R1.3789 Cc1cccc(c1C(=O)N(C)C)I 240690a_100102631434_100000688020 [0,2,0,0,0,0|2,0,0]=4 4573 B13R1.3802 CN(C)S(=O)(=O)c1ccccc1O 271570a_203496583355_100000165087 [0,2,0,0,0,0|2,0,0]=4 4574 B13R1.2819 CCNS(=O)(=O)c1ccccc1O 271570a_203496583355_200000165236 [0,2,0,0,0,0|2,0,0]=4 4575 B13R1.2819 O=S(=O)(CCO)c1ccccc1O 271570a_203496583355_200012340577 [0,2,0,0,0,0|2,0,0]=4 4576 B13R1.201 C=C(C)CC(=O)c1ccccc1O 1458a_100015234032_100000748629 [0,2,0,0,0,0|2,0,0]=4 4577 B13R1.201 C=C(F)CC(=O)c1ccccc1O 1458a_100015234032_100009893438 [0,2,0,0,0,0|2,0,0]=4 4578 B13R1.201 CC(=O)CC(=O)c1ccccc1O 1458a_100000070787_100000188908 [0,2,0,0,0,0|1,0,1]=4 4579 B13R1.201 CC(=O)CC(=O)c1ccccc1O 271570a_203496583355_200011243946 [0,2,0,0,0,0|1,0,1]=4 4580 B13R1.201 CC(C)CC(=O)c1ccccc1O 1458a_100015234032_100000210624 [0,2,0,0,0,0|2,0,0]=4 4581 B13R1.201 CC(C)NC(=O)c1ccccc1Br 11a_100138425928_100000188424 [0,2,0,0,0,0|2,0,0]=4 4582 B13R1.201 CC(C)NC(=O)c1ccccc1Br 1626a_100138425928_100000188424 [0,2,0,0,0,0|2,0,0]=4 4583 B13R1.201 CC(C)NC(=O)c1ccccc1Br 240690a_100138425928_100000188424 [0,2,0,0,0,0|2,0,0]=4 4584 B13R1.201 CC(C)NC(=O)c1ccccc1Br 527a_100138425928_100000188424 [0,2,0,0,0,0|2,0,0]=4 4585 B13R1.201 CC(C)NC(=O)c1ccccc1Cl 11a_100138425928_100000185844 [0,2,0,0,0,0|2,0,0]=4 4586 B13R1.201 CC(C)NC(=O)c1ccccc1Cl 1626a_100138425928_100000185844 [0,2,0,0,0,0|2,0,0]=4 4587 B13R1.201 CC(C)NC(=O)c1ccccc1Cl 240690a_100138425928_100000185844 [0,2,0,0,0,0|2,0,0]=4 4588 B13R1.201 CC(C)NC(=O)c1ccccc1Cl 527a_100138425928_100000185844 [0,2,0,0,0,0|2,0,0]=4 4589 B13R1.201 CC(C)NC(=O)c1ccccc1F 11a_100138425928_100000188656 [0,2,0,0,0,0|2,0,0]=4 4590 B13R1.201 CC(C)NC(=O)c1ccccc1F 1626a_100138425928_100000188656 [0,2,0,0,0,0|2,0,0]=4 4591 B13R1.201 CC(C)NC(=O)c1ccccc1F 240690a_100138425928_100000188656 [0,2,0,0,0,0|2,0,0]=4 4592 B13R1.201 CC(C)NC(=O)c1ccccc1F 527a_100138425928_100000188656 [0,2,0,0,0,0|2,0,0]=4 4593 B13R1.201 CC(C)NC(=O)c1ccccc1I 11a_100138425928_100000187884 [0,2,0,0,0,0|2,0,0]=4 4594 B13R1.201 CC(C)NC(=O)c1ccccc1I 1626a_100138425928_100000187884 [0,2,0,0,0,0|2,0,0]=4 4595 B13R1.201 CC(C)NC(=O)c1ccccc1I 240690a_100138425928_100000187884 [0,2,0,0,0,0|2,0,0]=4 4596 B13R1.201 CC(C)NC(=O)c1ccccc1I 527a_100138425928_100000187884 [0,2,0,0,0,0|2,0,0]=4 4597 B13R1.201 CC(C)NC(=O)c1ccccc1O 240690a_100138425928_100015234032 [0,2,0,0,0,0|1,0,0]=3 4598 B13R1.201 CC(C)NC(=O)c1ccccc1O 271570a_203496583355_200000152627 [0,2,0,0,0,0|1,0,0]=3 4599 B13R1.201 CC(C)NC(=O)c1ccccc1[O-] 1626a_100138425928_100009911694 [0,2,0,0,0,0|1,0,1]=4 4600 B13R1.201 CC(C)NC(=O)c1ccccc1[O-] 240690a_100138425928_100009911694 [0,2,0,0,0,0|1,0,1]=4 4601 B13R1.201 CC(C)NC(=O)c1ccccc1[O-] 527a_100138425928_100009911694 [0,2,0,0,0,0|1,0,1]=4 4602 B13R1.201 CC(C)OC(=O)c1ccccc1O 271570a_203496583355_100000169877 [0,2,0,0,0,0|2,0,0]=4 4603 B13R1.201 CC(O)CC(=O)c1ccccc1Br 1458a_100000188424_100011218427 [0,2,0,0,0,0|2,0,0]=4 4604 B13R1.201 CC(O)CC(=O)c1ccccc1Cl 1458a_100000185844_100011218427 [0,2,0,0,0,0|2,0,0]=4 4605 B13R1.201 CC(O)CC(=O)c1ccccc1F 1458a_100000188656_100011218427 [0,2,0,0,0,0|2,0,0]=4 4606 B13R1.201 CC(O)CC(=O)c1ccccc1I 1458a_100000187884_100011218427 [0,2,0,0,0,0|2,0,0]=4 4607 B13R1.201 CC(O)CC(=O)c1ccccc1O 1458a_100015234032_100011218427 [0,2,0,0,0,0|1,0,0]=3 4608 B13R1.201 CC(O)CC(=O)c1ccccc1[O-] 1458a_100009911694_100011218427 [0,2,0,0,0,0|1,0,1]=4 4609 B13R1.201 CN(C)CC(=O)c1ccccc1Br 269982a_100102631434_100000199116 [0,2,0,0,0,0|2,0,0]=4 4610 B13R1.201 CN(C)CC(=O)c1ccccc1Cl 269982a_100102631434_100000211432 [0,2,0,0,0,0|2,0,0]=4 4611 B13R1.201 CN(C)CC(=O)c1ccccc1F 269982a_100102631434_100000204681 [0,2,0,0,0,0|2,0,0]=4 4612 B13R1.201 CN(C)CC(=O)c1ccccc1O 269982a_100102631434_100000188908 [0,2,0,0,0,0|1,0,0]=3 4613 B13R1.201 Cc1ccccc1C(=O)CC(C)O 1458a_100000212026_100011218427 [0,2,0,0,0,0|2,0,0]=4 4614 B13R1.201 Cc1ccccc1C(=O)CN(C)C 2230a_100102631434_100000741374 [0,2,0,0,0,0|2,0,0]=4 4615 B13R1.201 Cc1ccccc1C(=O)CN(C)C 269982a_100102631434_100000741374 [0,2,0,0,0,0|2,0,0]=4 4616 B13R1.201 Cc1ccccc1C(=O)NC(C)C 11a_100138425928_100000212026 [0,2,0,0,0,0|2,0,0]=4 4617 B13R1.201 Cc1ccccc1C(=O)NC(C)C 1626a_100138425928_100000212026 [0,2,0,0,0,0|2,0,0]=4 4618 B13R1.201 Cc1ccccc1C(=O)NC(C)C 240690a_100138425928_100000212026 [0,2,0,0,0,0|2,0,0]=4 4619 B13R1.201 Cc1ccccc1C(=O)NC(C)C 527a_100138425928_100000212026 [0,2,0,0,0,0|2,0,0]=4 4620 B13R1.201 NC(=O)CC(=O)c1ccccc1O 1458a_100015234032_100000187820 [0,2,0,0,0,0|1,0,1]=4 4621 B13R1.201 O=C(CC(F)F)c1ccccc1O 1458a_100015234032_100011934356 [0,2,0,0,0,0|2,0,0]=4 4622 B13R1.201 O=C(C[N+](=O)[O-])c1ccccc1O 1458a_100015234032_100000761209 [0,2,0,0,0,0|0,0,2]=4 4623 B13R1.201 O=C([O-])CC(=O)c1ccccc1O 1458a_100015234032_100020667443 [0,2,0,0,0,0|1,0,1]=4 4624 B13R1.446 C#CCC(=O)c1cc(ccc1O)Br 1458a_100000212140_100000184674 [0,2,0,0,0,0|2,0,0]=4 4625 B13R1.446 C#CCC(=O)c1cc(ccc1O)C 1458a_100000229998_100000184674 [0,2,0,0,0,0|2,0,0]=4 4626 B13R1.446 C#CCC(=O)c1cc(ccc1O)Cl 1458a_100000212143_100000184674 [0,2,0,0,0,0|2,0,0]=4 4627 B13R1.446 C#CCC(=O)c1cc(ccc1O)F 1458a_100000742286_100000184674 [0,2,0,0,0,0|2,0,0]=4 4628 B13R1.446 C#CCC(=O)c1cc(ccc1O)I 1458a_100000212111_100000184674 [0,2,0,0,0,0|2,0,0]=4 4629 B13R1.446 C#CCC(=O)c1cc(ccc1O)O 1458a_100000758025_100000184674 [0,2,0,0,0,0|2,0,0]=4 4630 B13R1.446 C=CCC(=O)c1cc(ccc1O)Br 1458a_100000212140_100000210623 [0,2,0,0,0,0|2,0,0]=4 4631 B13R1.446 C=CCC(=O)c1cc(ccc1O)C 1458a_100000229998_100000210623 [0,2,0,0,0,0|2,0,0]=4 4632 B13R1.446 C=CCC(=O)c1cc(ccc1O)Cl 1458a_100000212143_100000210623 [0,2,0,0,0,0|2,0,0]=4 4633 B13R1.446 C=CCC(=O)c1cc(ccc1O)F 1458a_100000742286_100000210623 [0,2,0,0,0,0|2,0,0]=4 4634 B13R1.446 C=CCC(=O)c1cc(ccc1O)I 1458a_100000212111_100000210623 [0,2,0,0,0,0|2,0,0]=4 4635 B13R1.446 C=CCC(=O)c1cc(ccc1O)O 1458a_100000758025_100000210623 [0,2,0,0,0,0|2,0,0]=4 4636 B13R1.446 CCCC(=O)c1cc(ccc1O)Br 1458a_100000212140_100000210303 [0,2,0,0,0,0|2,0,0]=4 4637 B13R1.446 CCCC(=O)c1cc(ccc1O)C 1458a_100000229998_100000210303 [0,2,0,0,0,0|2,0,0]=4 4638 B13R1.446 CCCC(=O)c1cc(ccc1O)Cl 1458a_100000212143_100000210303 [0,2,0,0,0,0|2,0,0]=4 4639 B13R1.446 CCCC(=O)c1cc(ccc1O)F 1458a_100000742286_100000210303 [0,2,0,0,0,0|2,0,0]=4 4640 B13R1.446 CCCC(=O)c1cc(ccc1O)I 1458a_100000212111_100000210303 [0,2,0,0,0,0|2,0,0]=4 4641 B13R1.446 CCCC(=O)c1cc(ccc1O)O 1458a_100000758025_100000210303 [0,2,0,0,0,0|2,0,0]=4 4642 B13R1.446 CCNC(=O)c1cc(ccc1Br)Br 11a_100015525214_100000690610 [0,2,0,0,0,0|2,0,0]=4 4643 B13R1.446 CCNC(=O)c1cc(ccc1Br)Br 240690a_100015525214_100000690610 [0,2,0,0,0,0|2,0,0]=4 4644 B13R1.446 CCNC(=O)c1cc(ccc1Br)Br 527a_100015525214_100000690610 [0,2,0,0,0,0|2,0,0]=4 4645 B13R1.446 CCNC(=O)c1cc(ccc1Br)C 11a_100015525214_100000689033 [0,2,0,0,0,0|2,0,0]=4 4646 B13R1.446 CCNC(=O)c1cc(ccc1Br)C 240690a_100015525214_100000689033 [0,2,0,0,0,0|2,0,0]=4 4647 B13R1.446 CCNC(=O)c1cc(ccc1Br)C 527a_100015525214_100000689033 [0,2,0,0,0,0|2,0,0]=4 4648 B13R1.446 CCNC(=O)c1cc(ccc1Br)Cl 11a_100015525214_100000736951 [0,2,0,0,0,0|2,0,0]=4 4649 B13R1.446 CCNC(=O)c1cc(ccc1Br)Cl 240690a_100015525214_100000736951 [0,2,0,0,0,0|2,0,0]=4 4650 B13R1.446 CCNC(=O)c1cc(ccc1Br)Cl 527a_100015525214_100000736951 [0,2,0,0,0,0|2,0,0]=4 4651 B13R1.446 CCNC(=O)c1cc(ccc1Br)F 11a_100015525214_100000212315 [0,2,0,0,0,0|2,0,0]=4 4652 B13R1.446 CCNC(=O)c1cc(ccc1Br)F 240690a_100015525214_100000212315 [0,2,0,0,0,0|2,0,0]=4 4653 B13R1.446 CCNC(=O)c1cc(ccc1Br)F 527a_100015525214_100000212315 [0,2,0,0,0,0|2,0,0]=4 4654 B13R1.446 CCNC(=O)c1cc(ccc1Br)I 11a_100015525214_100000698340 [0,2,0,0,0,0|2,0,0]=4 4655 B13R1.446 CCNC(=O)c1cc(ccc1Br)I 240690a_100015525214_100000698340 [0,2,0,0,0,0|2,0,0]=4 4656 B13R1.446 CCNC(=O)c1cc(ccc1Br)I 527a_100015525214_100000698340 [0,2,0,0,0,0|2,0,0]=4 4657 B13R1.446 CCNC(=O)c1cc(ccc1Br)O 240690a_100015525214_100012352043 [0,2,0,0,0,0|2,0,0]=4 4658 B13R1.446 CCNC(=O)c1cc(ccc1Br)O 527a_100015525214_100012352043 [0,2,0,0,0,0|2,0,0]=4 4659 B13R1.446 CCNC(=O)c1cc(ccc1C)Br 11a_100015525214_100000759961 [0,2,0,0,0,0|2,0,0]=4 4660 B13R1.446 CCNC(=O)c1cc(ccc1C)Br 240690a_100015525214_100000759961 [0,2,0,0,0,0|2,0,0]=4 4661 B13R1.446 CCNC(=O)c1cc(ccc1C)Br 527a_100015525214_100000759961 [0,2,0,0,0,0|2,0,0]=4 4662 B13R1.446 CCNC(=O)c1cc(ccc1C)C 11a_100015525214_100000195421 [0,2,0,0,0,0|2,0,0]=4 4663 B13R1.446 CCNC(=O)c1cc(ccc1C)C 240690a_100015525214_100000195421 [0,2,0,0,0,0|2,0,0]=4 4664 B13R1.446 CCNC(=O)c1cc(ccc1C)C 527a_100015525214_100000195421 [0,2,0,0,0,0|2,0,0]=4 4665 B13R1.446 CCNC(=O)c1cc(ccc1C)Cl 11a_100015525214_100000692595 [0,2,0,0,0,0|2,0,0]=4 4666 B13R1.446 CCNC(=O)c1cc(ccc1C)Cl 240690a_100015525214_100000692595 [0,2,0,0,0,0|2,0,0]=4 4667 B13R1.446 CCNC(=O)c1cc(ccc1C)Cl 527a_100015525214_100000692595 [0,2,0,0,0,0|2,0,0]=4 4668 B13R1.446 CCNC(=O)c1cc(ccc1C)F 11a_100015525214_100000240043 [0,2,0,0,0,0|2,0,0]=4 4669 B13R1.446 CCNC(=O)c1cc(ccc1C)F 240690a_100015525214_100000240043 [0,2,0,0,0,0|2,0,0]=4 4670 B13R1.446 CCNC(=O)c1cc(ccc1C)F 527a_100015525214_100000240043 [0,2,0,0,0,0|2,0,0]=4 4671 B13R1.446 CCNC(=O)c1cc(ccc1C)I 11a_100015525214_100000688012 [0,2,0,0,0,0|2,0,0]=4 4672 B13R1.446 CCNC(=O)c1cc(ccc1C)I 240690a_100015525214_100000688012 [0,2,0,0,0,0|2,0,0]=4 4673 B13R1.446 CCNC(=O)c1cc(ccc1C)I 527a_100015525214_100000688012 [0,2,0,0,0,0|2,0,0]=4 4674 B13R1.446 CCNC(=O)c1cc(ccc1C)O 240690a_100015525214_100000687834 [0,2,0,0,0,0|2,0,0]=4 4675 B13R1.446 CCNC(=O)c1cc(ccc1Cl)Br 11a_100015525214_100000211212 [0,2,0,0,0,0|2,0,0]=4 4676 B13R1.446 CCNC(=O)c1cc(ccc1Cl)Br 240690a_100015525214_100000211212 [0,2,0,0,0,0|2,0,0]=4 4677 B13R1.446 CCNC(=O)c1cc(ccc1Cl)Br 527a_100015525214_100000211212 [0,2,0,0,0,0|2,0,0]=4 4678 B13R1.446 CCNC(=O)c1cc(ccc1Cl)C 11a_100015525214_100011290873 [0,2,0,0,0,0|2,0,0]=4 4679 B13R1.446 CCNC(=O)c1cc(ccc1Cl)C 240690a_100015525214_100011290873 [0,2,0,0,0,0|2,0,0]=4 4680 B13R1.446 CCNC(=O)c1cc(ccc1Cl)C 527a_100015525214_100011290873 [0,2,0,0,0,0|2,0,0]=4 4681 B13R1.446 CCNC(=O)c1cc(ccc1Cl)Cl 11a_100015525214_100000210642 [0,2,0,0,0,0|2,0,0]=4 4682 B13R1.446 CCNC(=O)c1cc(ccc1Cl)Cl 240690a_100015525214_100000210642 [0,2,0,0,0,0|2,0,0]=4 4683 B13R1.446 CCNC(=O)c1cc(ccc1Cl)Cl 527a_100015525214_100000210642 [0,2,0,0,0,0|2,0,0]=4 4684 B13R1.446 CCNC(=O)c1cc(ccc1Cl)F 11a_100015525214_100011219680 [0,2,0,0,0,0|2,0,0]=4 4685 B13R1.446 CCNC(=O)c1cc(ccc1Cl)F 240690a_100015525214_100011219680 [0,2,0,0,0,0|2,0,0]=4 4686 B13R1.446 CCNC(=O)c1cc(ccc1Cl)F 527a_100015525214_100011219680 [0,2,0,0,0,0|2,0,0]=4 4687 B13R1.446 CCNC(=O)c1cc(ccc1Cl)I 11a_100015525214_100000688013 [0,2,0,0,0,0|2,0,0]=4 4688 B13R1.446 CCNC(=O)c1cc(ccc1Cl)I 240690a_100015525214_100000688013 [0,2,0,0,0,0|2,0,0]=4 4689 B13R1.446 CCNC(=O)c1cc(ccc1Cl)I 527a_100015525214_100000688013 [0,2,0,0,0,0|2,0,0]=4 4690 B13R1.446 CCNC(=O)c1cc(ccc1Cl)O 240690a_100015525214_100000719527 [0,2,0,0,0,0|2,0,0]=4 4691 B13R1.446 CCNC(=O)c1cc(ccc1Cl)O 527a_100015525214_100000719527 [0,2,0,0,0,0|2,0,0]=4 4692 B13R1.446 CCNC(=O)c1cc(ccc1F)Br 11a_100015525214_100000212322 [0,2,0,0,0,0|2,0,0]=4 4693 B13R1.446 CCNC(=O)c1cc(ccc1F)Br 240690a_100015525214_100000212322 [0,2,0,0,0,0|2,0,0]=4 4694 B13R1.446 CCNC(=O)c1cc(ccc1F)Br 527a_100015525214_100000212322 [0,2,0,0,0,0|2,0,0]=4 4695 B13R1.446 CCNC(=O)c1cc(ccc1F)C 11a_100015525214_100000749327 [0,2,0,0,0,0|2,0,0]=4 4696 B13R1.446 CCNC(=O)c1cc(ccc1F)C 240690a_100015525214_100000749327 [0,2,0,0,0,0|2,0,0]=4 4697 B13R1.446 CCNC(=O)c1cc(ccc1F)C 527a_100015525214_100000749327 [0,2,0,0,0,0|2,0,0]=4 4698 B13R1.446 CCNC(=O)c1cc(ccc1F)Cl 11a_100015525214_100000214954 [0,2,0,0,0,0|2,0,0]=4 4699 B13R1.446 CCNC(=O)c1cc(ccc1F)Cl 240690a_100015525214_100000214954 [0,2,0,0,0,0|2,0,0]=4 4700 B13R1.446 CCNC(=O)c1cc(ccc1F)Cl 527a_100015525214_100000214954 [0,2,0,0,0,0|2,0,0]=4 4701 B13R1.446 CCNC(=O)c1cc(ccc1F)F 11a_100015525214_100000198512 [0,2,0,0,0,0|2,0,0]=4 4702 B13R1.446 CCNC(=O)c1cc(ccc1F)F 240690a_100015525214_100000198512 [0,2,0,0,0,0|2,0,0]=4 4703 B13R1.446 CCNC(=O)c1cc(ccc1F)F 527a_100015525214_100000198512 [0,2,0,0,0,0|2,0,0]=4 4704 B13R1.446 CCNC(=O)c1cc(ccc1F)I 11a_100015525214_100000688014 [0,2,0,0,0,0|2,0,0]=4 4705 B13R1.446 CCNC(=O)c1cc(ccc1F)I 240690a_100015525214_100000688014 [0,2,0,0,0,0|2,0,0]=4 4706 B13R1.446 CCNC(=O)c1cc(ccc1F)I 527a_100015525214_100000688014 [0,2,0,0,0,0|2,0,0]=4 4707 B13R1.446 CCNC(=O)c1cc(ccc1F)O 240690a_100015525214_100000037260 [0,2,0,0,0,0|2,0,0]=4 4708 B13R1.446 CCNC(=O)c1cc(ccc1F)O 271570a_203496583355_100000155167 [0,2,0,0,0,0|2,0,0]=4 4709 B13R1.446 CCNC(=O)c1cc(ccc1F)O 527a_100015525214_100000037260 [0,2,0,0,0,0|2,0,0]=4 4710 B13R1.446 CCNC(=O)c1cc(ccc1I)Br 11a_100015525214_100000183945 [0,2,0,0,0,0|2,0,0]=4 4711 B13R1.446 CCNC(=O)c1cc(ccc1I)Br 240690a_100015525214_100000183945 [0,2,0,0,0,0|2,0,0]=4 4712 B13R1.446 CCNC(=O)c1cc(ccc1I)C 11a_100015525214_100000057929 [0,2,0,0,0,0|2,0,0]=4 4713 B13R1.446 CCNC(=O)c1cc(ccc1I)C 240690a_100015525214_100000057929 [0,2,0,0,0,0|2,0,0]=4 4714 B13R1.446 CCNC(=O)c1cc(ccc1I)C 527a_100015525214_100000057929 [0,2,0,0,0,0|2,0,0]=4 4715 B13R1.446 CCNC(=O)c1cc(ccc1I)Cl 11a_100015525214_100000739379 [0,2,0,0,0,0|2,0,0]=4 4716 B13R1.446 CCNC(=O)c1cc(ccc1I)Cl 240690a_100015525214_100000739379 [0,2,0,0,0,0|2,0,0]=4 4717 B13R1.446 CCNC(=O)c1cc(ccc1I)Cl 527a_100015525214_100000739379 [0,2,0,0,0,0|2,0,0]=4 4718 B13R1.446 CCNC(=O)c1cc(ccc1I)F 11a_100015525214_100000748905 [0,2,0,0,0,0|2,0,0]=4 4719 B13R1.446 CCNC(=O)c1cc(ccc1I)F 240690a_100015525214_100000748905 [0,2,0,0,0,0|2,0,0]=4 4720 B13R1.446 CCNC(=O)c1cc(ccc1I)F 527a_100015525214_100000748905 [0,2,0,0,0,0|2,0,0]=4 4721 B13R1.446 CCNC(=O)c1cc(ccc1I)I 11a_100015525214_100000750460 [0,2,0,0,0,0|2,0,0]=4 4722 B13R1.446 CCNC(=O)c1cc(ccc1I)I 240690a_100015525214_100000750460 [0,2,0,0,0,0|2,0,0]=4 4723 B13R1.446 CCNC(=O)c1cc(ccc1I)I 527a_100015525214_100000750460 [0,2,0,0,0,0|2,0,0]=4 4724 B13R1.446 CCNC(=O)c1cc(ccc1I)O 240690a_100015525214_200009995701 [0,2,0,0,0,0|2,0,0]=4 4725 B13R1.446 CCNC(=O)c1cc(ccc1I)O 527a_100015525214_200009995701 [0,2,0,0,0,0|2,0,0]=4 4726 B13R1.446 CCNC(=O)c1cc(ccc1O)Br 240690a_100015525214_100000212140 [0,2,0,0,0,0|1,0,0]=3 4727 B13R1.446 CCNC(=O)c1cc(ccc1O)Br 527a_100015525214_100000212140 [0,2,0,0,0,0|1,0,0]=3 4728 B13R1.446 CCNC(=O)c1cc(ccc1O)C 240690a_100015525214_100000229998 [0,2,0,0,0,0|1,0,0]=3 4729 B13R1.446 CCNC(=O)c1cc(ccc1O)C 527a_100015525214_100000229998 [0,2,0,0,0,0|1,0,0]=3 4730 B13R1.446 CCNC(=O)c1cc(ccc1O)Cl 11a_100015525214_100000212143 [0,2,0,0,0,0|1,0,0]=3 4731 B13R1.446 CCNC(=O)c1cc(ccc1O)Cl 240690a_100015525214_100000212143 [0,2,0,0,0,0|1,0,0]=3 4732 B13R1.446 CCNC(=O)c1cc(ccc1O)Cl 527a_100015525214_100000212143 [0,2,0,0,0,0|1,0,0]=3 4733 B13R1.446 CCNC(=O)c1cc(ccc1O)F 240690a_100015525214_100000742286 [0,2,0,0,0,0|1,0,0]=3 4734 B13R1.446 CCNC(=O)c1cc(ccc1O)F 527a_100015525214_100000742286 [0,2,0,0,0,0|1,0,0]=3 4735 B13R1.446 CCNC(=O)c1cc(ccc1O)I 240690a_100015525214_100000212111 [0,2,0,0,0,0|1,0,0]=3 4736 B13R1.446 CCNC(=O)c1cc(ccc1O)I 527a_100015525214_100000212111 [0,2,0,0,0,0|1,0,0]=3 4737 B13R1.446 CCOC(=O)c1cc(ccc1O)Br 271570a_203496583355_100000171027 [0,2,0,0,0,0|2,0,0]=4 4738 B13R1.446 CCOC(=O)c1cc(ccc1O)C 271570a_203496583355_200012353901 [0,2,0,0,0,0|2,0,0]=4 4739 B13R1.446 CCOC(=O)c1cc(ccc1O)Cl 271570a_203496583355_100011294803 [0,2,0,0,0,0|2,0,0]=4 4740 B13R1.446 CCOC(=O)c1cc(ccc1O)F 271570a_203496583355_100011206316 [0,2,0,0,0,0|2,0,0]=4 4741 B13R1.446 CCOC(=O)c1cc(ccc1O)O 271570a_203496583355_200000174078 [0,2,0,0,0,0|2,0,0]=4 4742 B13R1.446 CNCC(=O)c1cc(ccc1Br)Cl 2230a_106832991635_100012361344 [0,2,0,0,0,0|2,0,0]=4 4743 B13R1.446 CNCC(=O)c1cc(ccc1Br)Cl 34a_100102657272_100012361344 [0,2,0,0,0,0|2,0,0]=4 4744 B13R1.446 CNCC(=O)c1cc(ccc1C)C 2230a_106832991635_100000183774 [0,2,0,0,0,0|2,0,0]=4 4745 B13R1.446 CNCC(=O)c1cc(ccc1C)C 34a_100102657272_100000183774 [0,2,0,0,0,0|2,0,0]=4 4746 B13R1.446 CNCC(=O)c1cc(ccc1C)C 7a_106832991635_100000183774 [0,2,0,0,0,0|2,0,0]=4 4747 B13R1.446 CNCC(=O)c1cc(ccc1Cl)Cl 2230a_106832991635_100000183120 [0,2,0,0,0,0|2,0,0]=4 4748 B13R1.446 CNCC(=O)c1cc(ccc1Cl)F 34a_100102657272_200010187420 [0,2,0,0,0,0|2,0,0]=4 4749 B13R1.446 CNCC(=O)c1cc(ccc1F)F 34a_100102657272_100000211571 [0,2,0,0,0,0|2,0,0]=4 4750 B13R1.446 CNCC(=O)c1cc(ccc1F)F 7a_106832991635_100000211571 [0,2,0,0,0,0|2,0,0]=4 4751 B13R1.446 CNCC(=O)c1cc(ccc1O)Br 34a_100102657272_200009828000 [0,2,0,0,0,0|1,0,0]=3 4752 B13R1.446 CNCC(=O)c1cc(ccc1O)Br 7a_106832991635_200009828000 [0,2,0,0,0,0|1,0,0]=3 4753 B13R1.446 CNCC(=O)c1cc(ccc1O)F 34a_100102657272_100009814381 [0,2,0,0,0,0|1,0,0]=3 4754 B13R1.446 CNCC(=O)c1cc(ccc1O)F 7a_106832991635_100000047744 [0,2,0,0,0,0|1,0,0]=3 4755 B13R1.446 CNCC(=O)c1cc(ccc1O)O 34a_100102657272_100009814097 [0,2,0,0,0,0|1,0,0]=3 4756 B13R1.446 CNCC(=O)c1cc(ccc1O)O 7a_106832991635_100009814097 [0,2,0,0,0,0|1,0,0]=3 4757 B13R1.446 CNNC(=O)c1cc(ccc1Br)Br 22a_100016993582_100000690610 [0,2,0,0,0,0|2,0,0]=4 4758 B13R1.446 CNNC(=O)c1cc(ccc1Br)C 22a_100016993582_100000689033 [0,2,0,0,0,0|2,0,0]=4 4759 B13R1.446 CNNC(=O)c1cc(ccc1Br)Cl 22a_100016993582_100000736951 [0,2,0,0,0,0|2,0,0]=4 4760 B13R1.446 CNNC(=O)c1cc(ccc1Br)F 22a_100016993582_100000212315 [0,2,0,0,0,0|2,0,0]=4 4761 B13R1.446 CNNC(=O)c1cc(ccc1Br)I 22a_100016993582_100000698340 [0,2,0,0,0,0|2,0,0]=4 4762 B13R1.446 CNNC(=O)c1cc(ccc1Br)O 22a_100016993582_100012352043 [0,2,0,0,0,0|2,0,0]=4 4763 B13R1.446 CNNC(=O)c1cc(ccc1C)Br 22a_100016993582_100000759961 [0,2,0,0,0,0|2,0,0]=4 4764 B13R1.446 CNNC(=O)c1cc(ccc1C)C 22a_100016993582_100000195421 [0,2,0,0,0,0|2,0,0]=4 4765 B13R1.446 CNNC(=O)c1cc(ccc1C)Cl 22a_100016993582_100000692595 [0,2,0,0,0,0|2,0,0]=4 4766 B13R1.446 CNNC(=O)c1cc(ccc1C)F 22a_100016993582_100000240043 [0,2,0,0,0,0|2,0,0]=4 4767 B13R1.446 CNNC(=O)c1cc(ccc1C)I 22a_100016993582_100000688012 [0,2,0,0,0,0|2,0,0]=4 4768 B13R1.446 CNNC(=O)c1cc(ccc1C)O 22a_100016993582_100000687834 [0,2,0,0,0,0|2,0,0]=4 4769 B13R1.446 CNNC(=O)c1cc(ccc1Cl)Br 22a_100016993582_100000211212 [0,2,0,0,0,0|2,0,0]=4 4770 B13R1.446 CNNC(=O)c1cc(ccc1Cl)C 22a_100016993582_100011290873 [0,2,0,0,0,0|2,0,0]=4 4771 B13R1.446 CNNC(=O)c1cc(ccc1Cl)Cl 22a_100016993582_100000210642 [0,2,0,0,0,0|2,0,0]=4 4772 B13R1.446 CNNC(=O)c1cc(ccc1Cl)F 22a_100016993582_100011219680 [0,2,0,0,0,0|2,0,0]=4 4773 B13R1.446 CNNC(=O)c1cc(ccc1Cl)I 22a_100016993582_100000688013 [0,2,0,0,0,0|2,0,0]=4 4774 B13R1.446 CNNC(=O)c1cc(ccc1Cl)O 22a_100016993582_100000719527 [0,2,0,0,0,0|2,0,0]=4 4775 B13R1.446 CNNC(=O)c1cc(ccc1F)Br 22a_100016993582_100000212322 [0,2,0,0,0,0|2,0,0]=4 4776 B13R1.446 CNNC(=O)c1cc(ccc1F)C 22a_100016993582_100000749327 [0,2,0,0,0,0|2,0,0]=4 4777 B13R1.446 CNNC(=O)c1cc(ccc1F)Cl 22a_100016993582_100000214954 [0,2,0,0,0,0|2,0,0]=4 4778 B13R1.446 CNNC(=O)c1cc(ccc1F)F 22a_100016993582_100000198512 [0,2,0,0,0,0|2,0,0]=4 4779 B13R1.446 CNNC(=O)c1cc(ccc1F)I 22a_100016993582_100000688014 [0,2,0,0,0,0|2,0,0]=4 4780 B13R1.446 CNNC(=O)c1cc(ccc1F)O 22a_100016993582_100000037260 [0,2,0,0,0,0|2,0,0]=4 4781 B13R1.446 CNNC(=O)c1cc(ccc1I)Br 22a_100016993582_100000183945 [0,2,0,0,0,0|2,0,0]=4 4782 B13R1.446 CNNC(=O)c1cc(ccc1I)C 22a_100016993582_100000057929 [0,2,0,0,0,0|2,0,0]=4 4783 B13R1.446 CNNC(=O)c1cc(ccc1I)Cl 22a_100016993582_100000739379 [0,2,0,0,0,0|2,0,0]=4 4784 B13R1.446 CNNC(=O)c1cc(ccc1I)F 22a_100016993582_100000748905 [0,2,0,0,0,0|2,0,0]=4 4785 B13R1.446 CNNC(=O)c1cc(ccc1I)I 22a_100016993582_100000750460 [0,2,0,0,0,0|2,0,0]=4 4786 B13R1.446 CNNC(=O)c1cc(ccc1I)O 22a_100016993582_200009995701 [0,2,0,0,0,0|2,0,0]=4 4787 B13R1.446 CNNC(=O)c1cc(ccc1O)Br 22a_100016993582_100000212140 [0,2,0,0,0,0|1,0,0]=3 4788 B13R1.446 CNNC(=O)c1cc(ccc1O)C 22a_100016993582_100000229998 [0,2,0,0,0,0|1,0,0]=3 4789 B13R1.446 CNNC(=O)c1cc(ccc1O)Cl 22a_100016993582_100000212143 [0,2,0,0,0,0|1,0,0]=3 4790 B13R1.446 CNNC(=O)c1cc(ccc1O)F 22a_100016993582_100000742286 [0,2,0,0,0,0|1,0,0]=3 4791 B13R1.446 CNNC(=O)c1cc(ccc1O)I 22a_100016993582_100000212111 [0,2,0,0,0,0|1,0,0]=3 4792 B13R1.446 COCC(=O)c1cc(ccc1Br)Cl 34a_100138415774_100012361344 [0,2,0,0,0,0|2,0,0]=4 4793 B13R1.446 COCC(=O)c1cc(ccc1C)C 34a_100138415774_100000183774 [0,2,0,0,0,0|2,0,0]=4 4794 B13R1.446 COCC(=O)c1cc(ccc1Cl)F 34a_100138415774_200010187420 [0,2,0,0,0,0|2,0,0]=4 4795 B13R1.446 COCC(=O)c1cc(ccc1F)F 34a_100138415774_100000211571 [0,2,0,0,0,0|2,0,0]=4 4796 B13R1.446 COCC(=O)c1cc(ccc1O)Br 34a_100138415774_200009828000 [0,2,0,0,0,0|1,0,0]=3 4797 B13R1.446 COCC(=O)c1cc(ccc1O)F 34a_100138415774_100009814381 [0,2,0,0,0,0|1,0,0]=3 4798 B13R1.446 COCC(=O)c1cc(ccc1O)O 34a_100138415774_100009814097 [0,2,0,0,0,0|1,0,0]=3 4799 B13R1.446 CSCC(=O)c1cc(ccc1O)Br 62a_200009828000_200000210301 [0,2,0,0,0,0|1,1,0]=4 4800 B13R1.446 CSCC(=O)c1cc(ccc1O)Cl 62a_200009816716_200000210301 [0,2,0,0,0,0|1,1,0]=4 4801 B13R1.446 CSCC(=O)c1cc(ccc1O)F 62a_100009814381_200000210301 [0,2,0,0,0,0|1,1,0]=4 4802 B13R1.446 CSCC(=O)c1cc(ccc1O)F 62a_200000210301_100009814381 [0,2,0,0,0,0|1,1,0]=4 4803 B13R1.446 CSCC(=O)c1cc(ccc1O)O 62a_100009814097_200000210301 [0,2,0,0,0,0|1,1,0]=4 4804 B13R1.446 CSCC(=O)c1cc(ccc1O)O 62a_200000210301_100009814097 [0,2,0,0,0,0|1,1,0]=4 4805 B13R1.446 Cc1ccc(c(c1)C(=O)CC#N)O 1458a_100000229998_100011214920 [0,2,0,0,0,0|2,0,0]=4 4806 B13R1.446 Cc1ccc(c(c1)C(=O)CCF)O 1458a_100000229998_100011217306 [0,2,0,0,0,0|2,0,0]=4 4807 B13R1.446 Cc1ccc(c(c1)C(=O)CCO)Br 1458a_100000689033_100000211926 [0,2,0,0,0,0|2,0,0]=4 4808 B13R1.446 Cc1ccc(c(c1)C(=O)CCO)C 1458a_100000195421_100000211926 [0,2,0,0,0,0|2,0,0]=4 4809 B13R1.446 Cc1ccc(c(c1)C(=O)CCO)Cl 1458a_100011290873_100000211926 [0,2,0,0,0,0|2,0,0]=4 4810 B13R1.446 Cc1ccc(c(c1)C(=O)CCO)F 1458a_100000749327_100000211926 [0,2,0,0,0,0|2,0,0]=4 4811 B13R1.446 Cc1ccc(c(c1)C(=O)CCO)I 1458a_100000057929_100000211926 [0,2,0,0,0,0|2,0,0]=4 4812 B13R1.446 Cc1ccc(c(c1)C(=O)CCO)O 1458a_100000229998_100000211926 [0,2,0,0,0,0|1,0,0]=3 4813 B13R1.446 Cc1ccc(cc1C(=O)CCO)Br 1458a_100000759961_100000211926 [0,2,0,0,0,0|2,0,0]=4 4814 B13R1.446 Cc1ccc(cc1C(=O)CCO)Cl 1458a_100000692595_100000211926 [0,2,0,0,0,0|2,0,0]=4 4815 B13R1.446 Cc1ccc(cc1C(=O)CCO)F 1458a_100000240043_100000211926 [0,2,0,0,0,0|2,0,0]=4 4816 B13R1.446 Cc1ccc(cc1C(=O)CCO)I 1458a_100000688012_100000211926 [0,2,0,0,0,0|2,0,0]=4 4817 B13R1.446 Cc1ccc(cc1C(=O)CCO)O 1458a_100000687834_100000211926 [0,2,0,0,0,0|2,0,0]=4 4818 B13R1.446 N#CCC(=O)c1cc(ccc1O)Br 1458a_100000212140_100011214920 [0,2,0,0,0,0|2,0,0]=4 4819 B13R1.446 N#CCC(=O)c1cc(ccc1O)Cl 1458a_100000212143_100011214920 [0,2,0,0,0,0|2,0,0]=4 4820 B13R1.446 N#CCC(=O)c1cc(ccc1O)F 1458a_100000742286_100011214920 [0,2,0,0,0,0|2,0,0]=4 4821 B13R1.446 N#CCC(=O)c1cc(ccc1O)I 1458a_100000212111_100011214920 [0,2,0,0,0,0|2,0,0]=4 4822 B13R1.446 N#CCC(=O)c1cc(ccc1O)O 1458a_100000758025_100011214920 [0,2,0,0,0,0|2,0,0]=4 4823 B13R1.446 O=C(CCF)c1cc(ccc1O)Br 1458a_100000212140_100011217306 [0,2,0,0,0,0|2,0,0]=4 4824 B13R1.446 O=C(CCF)c1cc(ccc1O)Cl 1458a_100000212143_100011217306 [0,2,0,0,0,0|2,0,0]=4 4825 B13R1.446 O=C(CCF)c1cc(ccc1O)F 1458a_100000742286_100011217306 [0,2,0,0,0,0|2,0,0]=4 4826 B13R1.446 O=C(CCF)c1cc(ccc1O)I 1458a_100000212111_100011217306 [0,2,0,0,0,0|2,0,0]=4 4827 B13R1.446 O=C(CCF)c1cc(ccc1O)O 1458a_100000758025_100011217306 [0,2,0,0,0,0|2,0,0]=4 4828 B13R1.446 O=C(CCO)c1cc(ccc1Br)Br 1458a_100000690610_100000211926 [0,2,0,0,0,0|2,0,0]=4 4829 B13R1.446 O=C(CCO)c1cc(ccc1Br)Cl 1458a_100000736951_100000211926 [0,2,0,0,0,0|2,0,0]=4 4830 B13R1.446 O=C(CCO)c1cc(ccc1Br)F 1458a_100000212315_100000211926 [0,2,0,0,0,0|2,0,0]=4 4831 B13R1.446 O=C(CCO)c1cc(ccc1Br)I 1458a_100000698340_100000211926 [0,2,0,0,0,0|2,0,0]=4 4832 B13R1.446 O=C(CCO)c1cc(ccc1Br)O 1458a_100012352043_100000211926 [0,2,0,0,0,0|2,0,0]=4 4833 B13R1.446 O=C(CCO)c1cc(ccc1Cl)Br 1458a_100000211212_100000211926 [0,2,0,0,0,0|2,0,0]=4 4834 B13R1.446 O=C(CCO)c1cc(ccc1Cl)Cl 1458a_100000210642_100000211926 [0,2,0,0,0,0|2,0,0]=4 4835 B13R1.446 O=C(CCO)c1cc(ccc1Cl)F 1458a_100011219680_100000211926 [0,2,0,0,0,0|2,0,0]=4 4836 B13R1.446 O=C(CCO)c1cc(ccc1Cl)I 1458a_100000688013_100000211926 [0,2,0,0,0,0|2,0,0]=4 4837 B13R1.446 O=C(CCO)c1cc(ccc1Cl)O 1458a_100000719527_100000211926 [0,2,0,0,0,0|2,0,0]=4 4838 B13R1.446 O=C(CCO)c1cc(ccc1F)Br 1458a_100000212322_100000211926 [0,2,0,0,0,0|2,0,0]=4 4839 B13R1.446 O=C(CCO)c1cc(ccc1F)Cl 1458a_100000214954_100000211926 [0,2,0,0,0,0|2,0,0]=4 4840 B13R1.446 O=C(CCO)c1cc(ccc1F)F 1458a_100000198512_100000211926 [0,2,0,0,0,0|2,0,0]=4 4841 B13R1.446 O=C(CCO)c1cc(ccc1F)I 1458a_100000688014_100000211926 [0,2,0,0,0,0|2,0,0]=4 4842 B13R1.446 O=C(CCO)c1cc(ccc1F)O 1458a_100000037260_100000211926 [0,2,0,0,0,0|2,0,0]=4 4843 B13R1.446 O=C(CCO)c1cc(ccc1I)Br 1458a_100000183945_100000211926 [0,2,0,0,0,0|2,0,0]=4 4844 B13R1.446 O=C(CCO)c1cc(ccc1I)Cl 1458a_100000739379_100000211926 [0,2,0,0,0,0|2,0,0]=4 4845 B13R1.446 O=C(CCO)c1cc(ccc1I)F 1458a_100000748905_100000211926 [0,2,0,0,0,0|2,0,0]=4 4846 B13R1.446 O=C(CCO)c1cc(ccc1I)I 1458a_100000750460_100000211926 [0,2,0,0,0,0|2,0,0]=4 4847 B13R1.446 O=C(CCO)c1cc(ccc1I)O 1458a_200009995701_100000211926 [0,2,0,0,0,0|2,0,0]=4 4848 B13R1.446 O=C(CCO)c1cc(ccc1O)Br 1458a_100000212140_100000211926 [0,2,0,0,0,0|1,0,0]=3 4849 B13R1.446 O=C(CCO)c1cc(ccc1O)Cl 1458a_100000212143_100000211926 [0,2,0,0,0,0|1,0,0]=3 4850 B13R1.446 O=C(CCO)c1cc(ccc1O)F 1458a_100000742286_100000211926 [0,2,0,0,0,0|1,0,0]=3 4851 B13R1.446 O=C(CCO)c1cc(ccc1O)I 1458a_100000212111_100000211926 [0,2,0,0,0,0|1,0,0]=3 4852 B13R1.446 O=C(CCO)c1cc(ccc1O)O 1458a_100000758025_100000211926 [0,2,0,0,0,0|1,0,0]=3 4853 B13R1.446 [13CH3]SCC(=O)c1cc(ccc1O)Br 62a_200009828000_200025704644 [0,2,0,0,0,0|1,1,0]=4 4854 B13R1.446 [13CH3]SCC(=O)c1cc(ccc1O)Cl 62a_200009816716_200025704644 [0,2,0,0,0,0|1,1,0]=4 4855 B13R1.446 [13CH3]SCC(=O)c1cc(ccc1O)F 62a_100009814381_200025704644 [0,2,0,0,0,0|1,1,0]=4 4856 B13R1.446 [13CH3]SCC(=O)c1cc(ccc1O)F 62a_200025704644_100009814381 [0,2,0,0,0,0|1,1,0]=4 4857 B13R1.446 [13CH3]SCC(=O)c1cc(ccc1O)O 62a_100009814097_200025704644 [0,2,0,0,0,0|1,1,0]=4 4858 B13R1.446 [13CH3]SCC(=O)c1cc(ccc1O)O 62a_200025704644_100009814097 [0,2,0,0,0,0|1,1,0]=4 4859 B13R1.674 C#CCCC(=O)c1ccccc1O 1458a_100015234032_100000753159 [0,2,0,0,0,0|2,0,0]=4 4860 B13R1.674 C#CCNC(=O)c1ccccc1Br 11a_100000212058_100000188424 [0,2,0,0,0,0|2,0,0]=4 4861 B13R1.674 C#CCNC(=O)c1ccccc1Br 1626a_100000212058_100000188424 [0,2,0,0,0,0|2,0,0]=4 4862 B13R1.674 C#CCNC(=O)c1ccccc1Br 240690a_100000212058_100000188424 [0,2,0,0,0,0|2,0,0]=4 4863 B13R1.674 C#CCNC(=O)c1ccccc1Br 527a_100000212058_100000188424 [0,2,0,0,0,0|2,0,0]=4 4864 B13R1.674 C#CCNC(=O)c1ccccc1C 11a_100000212058_100000212026 [0,2,0,0,0,0|2,0,0]=4 4865 B13R1.674 C#CCNC(=O)c1ccccc1C 1626a_100000212058_100000212026 [0,2,0,0,0,0|2,0,0]=4 4866 B13R1.674 C#CCNC(=O)c1ccccc1C 240690a_100000212058_100000212026 [0,2,0,0,0,0|2,0,0]=4 4867 B13R1.674 C#CCNC(=O)c1ccccc1C 527a_100000212058_100000212026 [0,2,0,0,0,0|2,0,0]=4 4868 B13R1.674 C#CCNC(=O)c1ccccc1Cl 11a_100000212058_100000185844 [0,2,0,0,0,0|2,0,0]=4 4869 B13R1.674 C#CCNC(=O)c1ccccc1Cl 1626a_100000212058_100000185844 [0,2,0,0,0,0|2,0,0]=4 4870 B13R1.674 C#CCNC(=O)c1ccccc1Cl 240690a_100000212058_100000185844 [0,2,0,0,0,0|2,0,0]=4 4871 B13R1.674 C#CCNC(=O)c1ccccc1Cl 527a_100000212058_100000185844 [0,2,0,0,0,0|2,0,0]=4 4872 B13R1.674 C#CCNC(=O)c1ccccc1F 11a_100000212058_100000188656 [0,2,0,0,0,0|2,0,0]=4 4873 B13R1.674 C#CCNC(=O)c1ccccc1F 1626a_100000212058_100000188656 [0,2,0,0,0,0|2,0,0]=4 4874 B13R1.674 C#CCNC(=O)c1ccccc1F 240690a_100000212058_100000188656 [0,2,0,0,0,0|2,0,0]=4 4875 B13R1.674 C#CCNC(=O)c1ccccc1F 527a_100000212058_100000188656 [0,2,0,0,0,0|2,0,0]=4 4876 B13R1.674 C#CCNC(=O)c1ccccc1I 11a_100000212058_100000187884 [0,2,0,0,0,0|2,0,0]=4 4877 B13R1.674 C#CCNC(=O)c1ccccc1I 1626a_100000212058_100000187884 [0,2,0,0,0,0|2,0,0]=4 4878 B13R1.674 C#CCNC(=O)c1ccccc1I 240690a_100000212058_100000187884 [0,2,0,0,0,0|2,0,0]=4 4879 B13R1.674 C#CCNC(=O)c1ccccc1I 527a_100000212058_100000187884 [0,2,0,0,0,0|2,0,0]=4 4880 B13R1.674 C#CCNC(=O)c1ccccc1O 240690a_100000212058_100015234032 [0,2,0,0,0,0|1,0,0]=3 4881 B13R1.674 C#CCNC(=O)c1ccccc1[O-] 1626a_100000212058_100009911694 [0,2,0,0,0,0|1,0,1]=4 4882 B13R1.674 C#CCNC(=O)c1ccccc1[O-] 240690a_100000212058_100009911694 [0,2,0,0,0,0|1,0,1]=4 4883 B13R1.674 C#CCNC(=O)c1ccccc1[O-] 527a_100000212058_100009911694 [0,2,0,0,0,0|1,0,1]=4 4884 B13R1.674 C/C=C/CC(=O)c1ccccc1O 1458a_100015234032_100102629194 [0,2,0,0,0,0|2,0,0]=4 4885 B13R1.674 C=CCCC(=O)c1ccccc1O 1458a_100015234032_100000754431 [0,2,0,0,0,0|2,0,0]=4 4886 B13R1.674 C=CCNC(=O)c1ccccc1Br 1626a_100020586998_100000188424 [0,2,0,0,0,0|2,0,0]=4 4887 B13R1.674 C=CCNC(=O)c1ccccc1Br 240690a_100020586998_100000188424 [0,2,0,0,0,0|2,0,0]=4 4888 B13R1.674 C=CCNC(=O)c1ccccc1Br 527a_100020586998_100000188424 [0,2,0,0,0,0|2,0,0]=4 4889 B13R1.674 C=CCNC(=O)c1ccccc1C 1626a_100020586998_100000212026 [0,2,0,0,0,0|2,0,0]=4 4890 B13R1.674 C=CCNC(=O)c1ccccc1C 240690a_100020586998_100000212026 [0,2,0,0,0,0|2,0,0]=4 4891 B13R1.674 C=CCNC(=O)c1ccccc1C 527a_100020586998_100000212026 [0,2,0,0,0,0|2,0,0]=4 4892 B13R1.674 C=CCNC(=O)c1ccccc1Cl 1626a_100020586998_100000185844 [0,2,0,0,0,0|2,0,0]=4 4893 B13R1.674 C=CCNC(=O)c1ccccc1Cl 240690a_100020586998_100000185844 [0,2,0,0,0,0|2,0,0]=4 4894 B13R1.674 C=CCNC(=O)c1ccccc1Cl 527a_100020586998_100000185844 [0,2,0,0,0,0|2,0,0]=4 4895 B13R1.674 C=CCNC(=O)c1ccccc1F 1626a_100020586998_100000188656 [0,2,0,0,0,0|2,0,0]=4 4896 B13R1.674 C=CCNC(=O)c1ccccc1F 240690a_100020586998_100000188656 [0,2,0,0,0,0|2,0,0]=4 4897 B13R1.674 C=CCNC(=O)c1ccccc1F 527a_100020586998_100000188656 [0,2,0,0,0,0|2,0,0]=4 4898 B13R1.674 C=CCNC(=O)c1ccccc1I 1626a_100020586998_100000187884 [0,2,0,0,0,0|2,0,0]=4 4899 B13R1.674 C=CCNC(=O)c1ccccc1I 240690a_100020586998_100000187884 [0,2,0,0,0,0|2,0,0]=4 4900 B13R1.674 C=CCNC(=O)c1ccccc1I 527a_100020586998_100000187884 [0,2,0,0,0,0|2,0,0]=4 4901 B13R1.674 C=CCNC(=O)c1ccccc1O 240690a_100020586998_100015234032 [0,2,0,0,0,0|1,0,0]=3 4902 B13R1.674 C=CCNC(=O)c1ccccc1[O-] 1626a_100020586998_100009911694 [0,2,0,0,0,0|1,0,1]=4 4903 B13R1.674 C=CCNC(=O)c1ccccc1[O-] 240690a_100020586998_100009911694 [0,2,0,0,0,0|1,0,1]=4 4904 B13R1.674 C=CCNC(=O)c1ccccc1[O-] 527a_100020586998_100009911694 [0,2,0,0,0,0|1,0,1]=4 4905 B13R1.674 CC#CCC(=O)c1ccccc1O 1458a_100015234032_100000748600 [0,2,0,0,0,0|2,0,0]=4 4906 B13R1.674 CC=CCC(=O)c1ccccc1O 1458a_100015234032_100000070051 [0,2,0,0,0,0|2,0,0]=4 4907 B13R1.674 CC=NNC(=O)c1ccccc1Br 4a_100000183644_200000210099 [0,2,0,0,0,0|2,0,0]=4 4908 B13R1.674 CC=NNC(=O)c1ccccc1C 4a_100000181371_200000210099 [0,2,0,0,0,0|2,0,0]=4 4909 B13R1.674 CC=NNC(=O)c1ccccc1Cl 4a_100000186534_200000210099 [0,2,0,0,0,0|2,0,0]=4 4910 B13R1.674 CC=NNC(=O)c1ccccc1F 4a_100000183521_200000210099 [0,2,0,0,0,0|2,0,0]=4 4911 B13R1.674 CC=NNC(=O)c1ccccc1I 4a_100000190081_200000210099 [0,2,0,0,0,0|2,0,0]=4 4912 B13R1.674 CCCCC(=O)c1ccccc1O 1458a_100015234032_100000210211 [0,2,0,0,0,0|2,0,0]=4 4913 B13R1.674 CCCNC(=O)c1ccccc1Br 11a_100020643023_100000188424 [0,2,0,0,0,0|2,0,0]=4 4914 B13R1.674 CCCNC(=O)c1ccccc1Br 1626a_100020643023_100000188424 [0,2,0,0,0,0|2,0,0]=4 4915 B13R1.674 CCCNC(=O)c1ccccc1Br 240690a_100020643023_100000188424 [0,2,0,0,0,0|2,0,0]=4 4916 B13R1.674 CCCNC(=O)c1ccccc1Br 527a_100020643023_100000188424 [0,2,0,0,0,0|2,0,0]=4 4917 B13R1.674 CCCNC(=O)c1ccccc1C 11a_100020643023_100000212026 [0,2,0,0,0,0|2,0,0]=4 4918 B13R1.674 CCCNC(=O)c1ccccc1C 1626a_100020643023_100000212026 [0,2,0,0,0,0|2,0,0]=4 4919 B13R1.674 CCCNC(=O)c1ccccc1C 240690a_100020643023_100000212026 [0,2,0,0,0,0|2,0,0]=4 4920 B13R1.674 CCCNC(=O)c1ccccc1C 527a_100020643023_100000212026 [0,2,0,0,0,0|2,0,0]=4 4921 B13R1.674 CCCNC(=O)c1ccccc1Cl 11a_100020643023_100000185844 [0,2,0,0,0,0|2,0,0]=4 4922 B13R1.674 CCCNC(=O)c1ccccc1Cl 1626a_100020643023_100000185844 [0,2,0,0,0,0|2,0,0]=4 4923 B13R1.674 CCCNC(=O)c1ccccc1Cl 240690a_100020643023_100000185844 [0,2,0,0,0,0|2,0,0]=4 4924 B13R1.674 CCCNC(=O)c1ccccc1Cl 527a_100020643023_100000185844 [0,2,0,0,0,0|2,0,0]=4 4925 B13R1.674 CCCNC(=O)c1ccccc1F 11a_100020643023_100000188656 [0,2,0,0,0,0|2,0,0]=4 4926 B13R1.674 CCCNC(=O)c1ccccc1F 1626a_100020643023_100000188656 [0,2,0,0,0,0|2,0,0]=4 4927 B13R1.674 CCCNC(=O)c1ccccc1F 240690a_100020643023_100000188656 [0,2,0,0,0,0|2,0,0]=4 4928 B13R1.674 CCCNC(=O)c1ccccc1F 527a_100020643023_100000188656 [0,2,0,0,0,0|2,0,0]=4 4929 B13R1.674 CCCNC(=O)c1ccccc1I 11a_100020643023_100000187884 [0,2,0,0,0,0|2,0,0]=4 4930 B13R1.674 CCCNC(=O)c1ccccc1I 1626a_100020643023_100000187884 [0,2,0,0,0,0|2,0,0]=4 4931 B13R1.674 CCCNC(=O)c1ccccc1I 240690a_100020643023_100000187884 [0,2,0,0,0,0|2,0,0]=4 4932 B13R1.674 CCCNC(=O)c1ccccc1I 527a_100020643023_100000187884 [0,2,0,0,0,0|2,0,0]=4 4933 B13R1.674 CCCNC(=O)c1ccccc1O 240690a_100020643023_100015234032 [0,2,0,0,0,0|1,0,0]=3 4934 B13R1.674 CCCNC(=O)c1ccccc1O 271570a_203496583355_200000152266 [0,2,0,0,0,0|1,0,0]=3 4935 B13R1.674 CCCNC(=O)c1ccccc1[O-] 1626a_100020643023_100009911694 [0,2,0,0,0,0|1,0,1]=4 4936 B13R1.674 CCCNC(=O)c1ccccc1[O-] 240690a_100020643023_100009911694 [0,2,0,0,0,0|1,0,1]=4 4937 B13R1.674 CCCNC(=O)c1ccccc1[O-] 527a_100020643023_100009911694 [0,2,0,0,0,0|1,0,1]=4 4938 B13R1.674 CCCNC(=O)c1cccnc1O 271570a_203496583355_100000161721 [0,2,0,0,0,0|2,0,0]=4 4939 B13R1.674 CCNCC(=O)c1ccccc1C 2230a_100015525214_100000741374 [0,2,0,0,0,0|2,0,0]=4 4940 B13R1.674 CCNN=C(C)c1ccccc1O 4a_100000756455_100000188907 [0,2,0,0,0,0|2,0,0]=4 4941 B13R1.674 CCNNC(=O)c1ccccc1Br 22a_100000756455_100000188424 [0,2,0,0,0,0|2,0,0]=4 4942 B13R1.674 CCNNC(=O)c1ccccc1C 22a_100000756455_100000212026 [0,2,0,0,0,0|2,0,0]=4 4943 B13R1.674 CCNNC(=O)c1ccccc1Cl 22a_100000756455_100000185844 [0,2,0,0,0,0|2,0,0]=4 4944 B13R1.674 CCNNC(=O)c1ccccc1F 22a_100000756455_100000188656 [0,2,0,0,0,0|2,0,0]=4 4945 B13R1.674 CCNNC(=O)c1ccccc1I 22a_100000756455_100000187884 [0,2,0,0,0,0|2,0,0]=4 4946 B13R1.674 CCNNC(=O)c1ccccc1O 22a_100000756455_100015234032 [0,2,0,0,0,0|1,0,0]=3 4947 B13R1.674 CCNNC(=O)c1ccccc1[O-] 22a_100000756455_100009911694 [0,2,0,0,0,0|1,0,1]=4 4948 B13R1.674 CCOCC(=O)c1ccccc1Br 34a_100121572206_100000199116 [0,2,0,0,0,0|2,0,0]=4 4949 B13R1.674 CCOCC(=O)c1ccccc1C 34a_100121572206_100000741374 [0,2,0,0,0,0|2,0,0]=4 4950 B13R1.674 CCOCC(=O)c1ccccc1Cl 34a_100121572206_100000211432 [0,2,0,0,0,0|2,0,0]=4 4951 B13R1.674 CCOCC(=O)c1ccccc1F 34a_100121572206_100000204681 [0,2,0,0,0,0|2,0,0]=4 4952 B13R1.674 CCSCC(=O)c1ccccc1O 62a_100000188908_100000210202 [0,2,0,0,0,0|1,1,0]=4 4953 B13R1.674 CCSCC(=O)c1ccccc1O 62a_100000210202_100000188908 [0,2,0,0,0,0|1,1,0]=4 4954 B13R1.674 CNCCC(=O)c1ccccc1F 2230a_106832991635_100000086012 [0,2,0,0,0,0|2,0,0]=4 4955 B13R1.674 CNCCC(=O)c1ccccc1F 7a_106832991635_100000086012 [0,2,0,0,0,0|2,0,0]=4 4956 B13R1.674 CNCCC(=O)c1ccccc1O 7a_106832991635_100009873196 [0,2,0,0,0,0|1,0,0]=3 4957 B13R1.674 COCCC(=O)c1ccccc1Br 1458a_100000188424_100000233755 [0,2,0,0,0,0|2,0,0]=4 4958 B13R1.674 COCCC(=O)c1ccccc1C 1458a_100000212026_100000233755 [0,2,0,0,0,0|2,0,0]=4 4959 B13R1.674 COCCC(=O)c1ccccc1Cl 1458a_100000185844_100000233755 [0,2,0,0,0,0|2,0,0]=4 4960 B13R1.674 COCCC(=O)c1ccccc1F 1458a_100000188656_100000233755 [0,2,0,0,0,0|2,0,0]=4 4961 B13R1.674 COCCC(=O)c1ccccc1I 1458a_100000187884_100000233755 [0,2,0,0,0,0|2,0,0]=4 4962 B13R1.674 COCCC(=O)c1ccccc1O 1458a_100015234032_100000233755 [0,2,0,0,0,0|1,0,0]=3 4963 B13R1.674 COCCC(=O)c1ccccc1[O-] 1458a_100009911694_100000233755 [0,2,0,0,0,0|1,0,1]=4 4964 B13R1.674 COCN[C@H](C)c1ccccc1O 2230a_100025703389_100000766300 [0,2,0,0,0,0|1,0,1]=4 4965 B13R1.674 CSCCC(=O)c1ccccc1O 1458a_100015234032_100000751147 [0,2,0,0,0,0|1,1,0]=4 4966 B13R1.674 CSCCC(=O)c1ccccc1O 62a_200000210301_100009873196 [0,2,0,0,0,0|1,1,0]=4 4967 B13R1.674 C[C@@H](NCCO)c1ccccc1O 2230a_100025703389_100000211926 [0,2,0,0,0,0|1,0,1]=4 4968 B13R1.674 Cc1ccccc1C(=O)CCCO 1458a_100000212026_100011215043 [0,2,0,0,0,0|2,0,0]=4 4969 B13R1.674 Cc1ccccc1C(=O)NCC#N 1626a_100000734998_100000212026 [0,2,0,0,0,0|2,0,0]=4 4970 B13R1.674 Cc1ccccc1C(=O)NCC#N 527a_100000734998_100000212026 [0,2,0,0,0,0|2,0,0]=4 4971 B13R1.674 Cc1ccccc1C(=O)NCCF 11a_100000724931_100000212026 [0,2,0,0,0,0|2,0,0]=4 4972 B13R1.674 Cc1ccccc1C(=O)NCCF 1626a_100000724931_100000212026 [0,2,0,0,0,0|2,0,0]=4 4973 B13R1.674 Cc1ccccc1C(=O)NCCF 240690a_100000724931_100000212026 [0,2,0,0,0,0|2,0,0]=4 4974 B13R1.674 Cc1ccccc1C(=O)NCCF 527a_100000724931_100000212026 [0,2,0,0,0,0|2,0,0]=4 4975 B13R1.674 Cc1ccccc1C(=O)NCCO 240690a_100000210304_100000212026 [0,2,0,0,0,0|1,0,0]=3 4976 B13R1.674 Cc1ccccc1C(=O)NCCO 527a_100000210304_100000212026 [0,2,0,0,0,0|1,0,0]=3 4977 B13R1.674 N#CCCC(=O)c1ccccc1O 1458a_100015234032_100011215226 [0,2,0,0,0,0|2,0,0]=4 4978 B13R1.674 N#CCNC(=O)c1ccccc1Br 1626a_100000734998_100000188424 [0,2,0,0,0,0|2,0,0]=4 4979 B13R1.674 N#CCNC(=O)c1ccccc1Br 527a_100000734998_100000188424 [0,2,0,0,0,0|2,0,0]=4 4980 B13R1.674 N#CCNC(=O)c1ccccc1Cl 1626a_100000734998_100000185844 [0,2,0,0,0,0|2,0,0]=4 4981 B13R1.674 N#CCNC(=O)c1ccccc1Cl 527a_100000734998_100000185844 [0,2,0,0,0,0|2,0,0]=4 4982 B13R1.674 N#CCNC(=O)c1ccccc1F 1626a_100000734998_100000188656 [0,2,0,0,0,0|2,0,0]=4 4983 B13R1.674 N#CCNC(=O)c1ccccc1F 527a_100000734998_100000188656 [0,2,0,0,0,0|2,0,0]=4 4984 B13R1.674 N#CCNC(=O)c1ccccc1I 1626a_100000734998_100000187884 [0,2,0,0,0,0|2,0,0]=4 4985 B13R1.674 N#CCNC(=O)c1ccccc1I 527a_100000734998_100000187884 [0,2,0,0,0,0|2,0,0]=4 4986 B13R1.674 N#CCNC(=O)c1ccccc1[O-] 1626a_100000734998_100009911694 [0,2,0,0,0,0|1,0,1]=4 4987 B13R1.674 N#CCNC(=O)c1ccccc1[O-] 527a_100000734998_100009911694 [0,2,0,0,0,0|1,0,1]=4 4988 B13R1.674 O=C(CCCF)c1ccccc1O 1458a_100015234032_100011934791 [0,2,0,0,0,0|2,0,0]=4 4989 B13R1.674 O=C(CCCO)c1ccccc1Br 1458a_100000188424_100011215043 [0,2,0,0,0,0|2,0,0]=4 4990 B13R1.674 O=C(CCCO)c1ccccc1Cl 1458a_100000185844_100011215043 [0,2,0,0,0,0|2,0,0]=4 4991 B13R1.674 O=C(CCCO)c1ccccc1F 1458a_100000188656_100011215043 [0,2,0,0,0,0|2,0,0]=4 4992 B13R1.674 O=C(CCCO)c1ccccc1I 1458a_100000187884_100011215043 [0,2,0,0,0,0|2,0,0]=4 4993 B13R1.674 O=C(CCCO)c1ccccc1O 1458a_100015234032_100011215043 [0,2,0,0,0,0|1,0,0]=3 4994 B13R1.674 O=C(CCCO)c1ccccc1[O-] 1458a_100009911694_100011215043 [0,2,0,0,0,0|1,0,1]=4 4995 B13R1.674 O=C(CSCF)c1ccccc1O 62a_100000188908_100015361967 [0,2,0,0,0,0|1,1,0]=4 4996 B13R1.674 O=C(CSCF)c1ccccc1O 62a_100015361967_100000188908 [0,2,0,0,0,0|1,1,0]=4 4997 B13R1.674 O=C(NCCF)c1ccccc1Br 11a_100000724931_100000188424 [0,2,0,0,0,0|2,0,0]=4 4998 B13R1.674 O=C(NCCF)c1ccccc1Br 1626a_100000724931_100000188424 [0,2,0,0,0,0|2,0,0]=4 4999 B13R1.674 O=C(NCCF)c1ccccc1Br 240690a_100000724931_100000188424 [0,2,0,0,0,0|2,0,0]=4 5000 B13R1.674 O=C(NCCF)c1ccccc1Br 527a_100000724931_100000188424 [0,2,0,0,0,0|2,0,0]=4 5001 B13R1.674 O=C(NCCF)c1ccccc1Cl 11a_100000724931_100000185844 [0,2,0,0,0,0|2,0,0]=4 5002 B13R1.674 O=C(NCCF)c1ccccc1Cl 1626a_100000724931_100000185844 [0,2,0,0,0,0|2,0,0]=4 5003 B13R1.674 O=C(NCCF)c1ccccc1Cl 240690a_100000724931_100000185844 [0,2,0,0,0,0|2,0,0]=4 5004 B13R1.674 O=C(NCCF)c1ccccc1Cl 527a_100000724931_100000185844 [0,2,0,0,0,0|2,0,0]=4 5005 B13R1.674 O=C(NCCF)c1ccccc1F 11a_100000724931_100000188656 [0,2,0,0,0,0|2,0,0]=4 5006 B13R1.674 O=C(NCCF)c1ccccc1F 1626a_100000724931_100000188656 [0,2,0,0,0,0|2,0,0]=4 5007 B13R1.674 O=C(NCCF)c1ccccc1F 240690a_100000724931_100000188656 [0,2,0,0,0,0|2,0,0]=4 5008 B13R1.674 O=C(NCCF)c1ccccc1F 527a_100000724931_100000188656 [0,2,0,0,0,0|2,0,0]=4 5009 B13R1.674 O=C(NCCF)c1ccccc1I 11a_100000724931_100000187884 [0,2,0,0,0,0|2,0,0]=4 5010 B13R1.674 O=C(NCCF)c1ccccc1I 1626a_100000724931_100000187884 [0,2,0,0,0,0|2,0,0]=4 5011 B13R1.674 O=C(NCCF)c1ccccc1I 240690a_100000724931_100000187884 [0,2,0,0,0,0|2,0,0]=4 5012 B13R1.674 O=C(NCCF)c1ccccc1I 527a_100000724931_100000187884 [0,2,0,0,0,0|2,0,0]=4 5013 B13R1.674 O=C(NCCF)c1ccccc1O 240690a_100000724931_100015234032 [0,2,0,0,0,0|1,0,0]=3 5014 B13R1.674 O=C(NCCF)c1ccccc1[O-] 1626a_100000724931_100009911694 [0,2,0,0,0,0|1,0,1]=4 5015 B13R1.674 O=C(NCCF)c1ccccc1[O-] 240690a_100000724931_100009911694 [0,2,0,0,0,0|1,0,1]=4 5016 B13R1.674 O=C(NCCF)c1ccccc1[O-] 527a_100000724931_100009911694 [0,2,0,0,0,0|1,0,1]=4 5017 B13R1.674 O=C(NCCO)c1ccccc1Br 240690a_100000210304_100000188424 [0,2,0,0,0,0|1,0,0]=3 5018 B13R1.674 O=C(NCCO)c1ccccc1Br 527a_100000210304_100000188424 [0,2,0,0,0,0|1,0,0]=3 5019 B13R1.674 O=C(NCCO)c1ccccc1Cl 240690a_100000210304_100000185844 [0,2,0,0,0,0|1,0,0]=3 5020 B13R1.674 O=C(NCCO)c1ccccc1Cl 527a_100000210304_100000185844 [0,2,0,0,0,0|1,0,0]=3 5021 B13R1.674 O=C(NCCO)c1ccccc1F 240690a_100000210304_100000188656 [0,2,0,0,0,0|1,0,0]=3 5022 B13R1.674 O=C(NCCO)c1ccccc1F 527a_100000210304_100000188656 [0,2,0,0,0,0|1,0,0]=3 5023 B13R1.674 O=C(NCCO)c1ccccc1I 240690a_100000210304_100000187884 [0,2,0,0,0,0|1,0,0]=3 5024 B13R1.674 O=C(NCCO)c1ccccc1I 527a_100000210304_100000187884 [0,2,0,0,0,0|1,0,0]=3 5025 B13R1.674 O=C(NCCO)c1ccccc1O 240690a_100000210304_100015234032 [0,2,0,0,0,0|0,0,0]=2 5026 B13R1.674 O=C(NCCO)c1ccccc1O 271570a_203496583355_200000158863 [0,2,0,0,0,0|0,0,0]=2 5027 B13R1.674 O=C(NCCO)c1ccccc1[O-] 240690a_100000210304_100009911694 [0,2,0,0,0,0|0,0,1]=3 5028 B13R1.674 O=C(NCCO)c1ccccc1[O-] 527a_100000210304_100009911694 [0,2,0,0,0,0|0,0,1]=3 5029 B13R1.674 [13CH3]SCCC(=O)c1ccccc1O 62a_200025704644_100009873196 [0,2,0,0,0,0|1,1,0]=4 5030 B13R1.1511 C#CCC(=O)c1ccc(cc1O)Br 1458a_100000744433_100000184674 [0,2,0,0,0,0|2,0,0]=4 5031 B13R1.1511 C#CCC(=O)c1ccc(cc1O)C 1458a_100000212137_100000184674 [0,2,0,0,0,0|2,0,0]=4 5032 B13R1.1511 C#CCC(=O)c1ccc(cc1O)Cl 1458a_100000188622_100000184674 [0,2,0,0,0,0|2,0,0]=4 5033 B13R1.1511 C#CCC(=O)c1ccc(cc1O)F 1458a_100000746061_100000184674 [0,2,0,0,0,0|2,0,0]=4 5034 B13R1.1511 C#CCC(=O)c1ccc(cc1O)I 1458a_100000091984_100000184674 [0,2,0,0,0,0|2,0,0]=4 5035 B13R1.1511 C#CCC(=O)c1ccc(cc1O)O 1458a_100000212172_100000184674 [0,2,0,0,0,0|2,0,0]=4 5036 B13R1.1511 C=CCC(=O)c1ccc(cc1O)Br 1458a_100000744433_100000210623 [0,2,0,0,0,0|2,0,0]=4 5037 B13R1.1511 C=CCC(=O)c1ccc(cc1O)C 1458a_100000212137_100000210623 [0,2,0,0,0,0|2,0,0]=4 5038 B13R1.1511 C=CCC(=O)c1ccc(cc1O)Cl 1458a_100000188622_100000210623 [0,2,0,0,0,0|2,0,0]=4 5039 B13R1.1511 C=CCC(=O)c1ccc(cc1O)F 1458a_100000746061_100000210623 [0,2,0,0,0,0|2,0,0]=4 5040 B13R1.1511 C=CCC(=O)c1ccc(cc1O)I 1458a_100000091984_100000210623 [0,2,0,0,0,0|2,0,0]=4 5041 B13R1.1511 C=CCC(=O)c1ccc(cc1O)O 1458a_100000212172_100000210623 [0,2,0,0,0,0|2,0,0]=4 5042 B13R1.1511 CCCC(=O)c1ccc(cc1O)Br 1458a_100000744433_100000210303 [0,2,0,0,0,0|2,0,0]=4 5043 B13R1.1511 CCCC(=O)c1ccc(cc1O)C 1458a_100000212137_100000210303 [0,2,0,0,0,0|2,0,0]=4 5044 B13R1.1511 CCCC(=O)c1ccc(cc1O)Cl 1458a_100000188622_100000210303 [0,2,0,0,0,0|2,0,0]=4 5045 B13R1.1511 CCCC(=O)c1ccc(cc1O)F 1458a_100000746061_100000210303 [0,2,0,0,0,0|2,0,0]=4 5046 B13R1.1511 CCCC(=O)c1ccc(cc1O)I 1458a_100000091984_100000210303 [0,2,0,0,0,0|2,0,0]=4 5047 B13R1.1511 CCCC(=O)c1ccc(cc1O)O 1458a_100000212172_100000210303 [0,2,0,0,0,0|2,0,0]=4 5048 B13R1.1511 CCNC(=O)c1ccc(cc1Br)Br 11a_100015525214_100000762965 [0,2,0,0,0,0|2,0,0]=4 5049 B13R1.1511 CCNC(=O)c1ccc(cc1Br)Br 240690a_100015525214_100000762965 [0,2,0,0,0,0|2,0,0]=4 5050 B13R1.1511 CCNC(=O)c1ccc(cc1Br)Br 527a_100015525214_100000762965 [0,2,0,0,0,0|2,0,0]=4 5051 B13R1.1511 CCNC(=O)c1ccc(cc1Br)C 11a_100015525214_100000685072 [0,2,0,0,0,0|2,0,0]=4 5052 B13R1.1511 CCNC(=O)c1ccc(cc1Br)C 240690a_100015525214_100000685072 [0,2,0,0,0,0|2,0,0]=4 5053 B13R1.1511 CCNC(=O)c1ccc(cc1Br)C 527a_100015525214_100000685072 [0,2,0,0,0,0|2,0,0]=4 5054 B13R1.1511 CCNC(=O)c1ccc(cc1Br)Cl 11a_100015525214_100000766353 [0,2,0,0,0,0|2,0,0]=4 5055 B13R1.1511 CCNC(=O)c1ccc(cc1Br)Cl 240690a_100015525214_100000766353 [0,2,0,0,0,0|2,0,0]=4 5056 B13R1.1511 CCNC(=O)c1ccc(cc1Br)Cl 527a_100015525214_100000766353 [0,2,0,0,0,0|2,0,0]=4 5057 B13R1.1511 CCNC(=O)c1ccc(cc1Br)F 11a_100015525214_100000212304 [0,2,0,0,0,0|2,0,0]=4 5058 B13R1.1511 CCNC(=O)c1ccc(cc1Br)F 240690a_100015525214_100000212304 [0,2,0,0,0,0|2,0,0]=4 5059 B13R1.1511 CCNC(=O)c1ccc(cc1Br)F 527a_100015525214_100000212304 [0,2,0,0,0,0|2,0,0]=4 5060 B13R1.1511 CCNC(=O)c1ccc(cc1Br)I 11a_100015525214_100012360512 [0,2,0,0,0,0|2,0,0]=4 5061 B13R1.1511 CCNC(=O)c1ccc(cc1Br)I 240690a_100015525214_100012360512 [0,2,0,0,0,0|2,0,0]=4 5062 B13R1.1511 CCNC(=O)c1ccc(cc1Br)I 527a_100015525214_100012360512 [0,2,0,0,0,0|2,0,0]=4 5063 B13R1.1511 CCNC(=O)c1ccc(cc1Br)O 240690a_100015525214_100012344906 [0,2,0,0,0,0|2,0,0]=4 5064 B13R1.1511 CCNC(=O)c1ccc(cc1Br)O 527a_100015525214_100012344906 [0,2,0,0,0,0|2,0,0]=4 5065 B13R1.1511 CCNC(=O)c1ccc(cc1C)Br 11a_100015525214_100000741311 [0,2,0,0,0,0|2,0,0]=4 5066 B13R1.1511 CCNC(=O)c1ccc(cc1C)Br 240690a_100015525214_100000741311 [0,2,0,0,0,0|2,0,0]=4 5067 B13R1.1511 CCNC(=O)c1ccc(cc1C)Br 527a_100015525214_100000741311 [0,2,0,0,0,0|2,0,0]=4 5068 B13R1.1511 CCNC(=O)c1ccc(cc1C)C 11a_100015525214_100000211164 [0,2,0,0,0,0|2,0,0]=4 5069 B13R1.1511 CCNC(=O)c1ccc(cc1C)C 240690a_100015525214_100000211164 [0,2,0,0,0,0|2,0,0]=4 5070 B13R1.1511 CCNC(=O)c1ccc(cc1C)C 527a_100015525214_100000211164 [0,2,0,0,0,0|2,0,0]=4 5071 B13R1.1511 CCNC(=O)c1ccc(cc1C)Cl 11a_100015525214_100000688705 [0,2,0,0,0,0|2,0,0]=4 5072 B13R1.1511 CCNC(=O)c1ccc(cc1C)Cl 240690a_100015525214_100000688705 [0,2,0,0,0,0|2,0,0]=4 5073 B13R1.1511 CCNC(=O)c1ccc(cc1C)Cl 527a_100015525214_100000688705 [0,2,0,0,0,0|2,0,0]=4 5074 B13R1.1511 CCNC(=O)c1ccc(cc1C)F 11a_100015525214_100000686989 [0,2,0,0,0,0|2,0,0]=4 5075 B13R1.1511 CCNC(=O)c1ccc(cc1C)F 240690a_100015525214_100000686989 [0,2,0,0,0,0|2,0,0]=4 5076 B13R1.1511 CCNC(=O)c1ccc(cc1C)F 527a_100015525214_100000686989 [0,2,0,0,0,0|2,0,0]=4 5077 B13R1.1511 CCNC(=O)c1ccc(cc1C)I 11a_100015525214_100010189873 [0,2,0,0,0,0|2,0,0]=4 5078 B13R1.1511 CCNC(=O)c1ccc(cc1C)I 240690a_100015525214_100010189873 [0,2,0,0,0,0|2,0,0]=4 5079 B13R1.1511 CCNC(=O)c1ccc(cc1C)I 527a_100015525214_100010189873 [0,2,0,0,0,0|2,0,0]=4 5080 B13R1.1511 CCNC(=O)c1ccc(cc1C)O 240690a_100015525214_100000692822 [0,2,0,0,0,0|2,0,0]=4 5081 B13R1.1511 CCNC(=O)c1ccc(cc1C)O 527a_100015525214_100000692822 [0,2,0,0,0,0|2,0,0]=4 5082 B13R1.1511 CCNC(=O)c1ccc(cc1Cl)Br 11a_100015525214_100000741628 [0,2,0,0,0,0|2,0,0]=4 5083 B13R1.1511 CCNC(=O)c1ccc(cc1Cl)Br 240690a_100015525214_100000741628 [0,2,0,0,0,0|2,0,0]=4 5084 B13R1.1511 CCNC(=O)c1ccc(cc1Cl)Br 527a_100015525214_100000741628 [0,2,0,0,0,0|2,0,0]=4 5085 B13R1.1511 CCNC(=O)c1ccc(cc1Cl)C 11a_100015525214_100000766932 [0,2,0,0,0,0|2,0,0]=4 5086 B13R1.1511 CCNC(=O)c1ccc(cc1Cl)C 240690a_100015525214_100000766932 [0,2,0,0,0,0|2,0,0]=4 5087 B13R1.1511 CCNC(=O)c1ccc(cc1Cl)C 527a_100015525214_100000766932 [0,2,0,0,0,0|2,0,0]=4 5088 B13R1.1511 CCNC(=O)c1ccc(cc1Cl)Cl 11a_100015525214_100000185840 [0,2,0,0,0,0|2,0,0]=4 5089 B13R1.1511 CCNC(=O)c1ccc(cc1Cl)Cl 240690a_100015525214_100000185840 [0,2,0,0,0,0|2,0,0]=4 5090 B13R1.1511 CCNC(=O)c1ccc(cc1Cl)Cl 527a_100015525214_100000185840 [0,2,0,0,0,0|2,0,0]=4 5091 B13R1.1511 CCNC(=O)c1ccc(cc1Cl)F 11a_100015525214_100000211397 [0,2,0,0,0,0|2,0,0]=4 5092 B13R1.1511 CCNC(=O)c1ccc(cc1Cl)F 240690a_100015525214_100000211397 [0,2,0,0,0,0|2,0,0]=4 5093 B13R1.1511 CCNC(=O)c1ccc(cc1Cl)F 527a_100015525214_100000211397 [0,2,0,0,0,0|2,0,0]=4 5094 B13R1.1511 CCNC(=O)c1ccc(cc1Cl)I 11a_100015525214_100000751301 [0,2,0,0,0,0|2,0,0]=4 5095 B13R1.1511 CCNC(=O)c1ccc(cc1Cl)I 240690a_100015525214_100000751301 [0,2,0,0,0,0|2,0,0]=4 5096 B13R1.1511 CCNC(=O)c1ccc(cc1Cl)I 527a_100015525214_100000751301 [0,2,0,0,0,0|2,0,0]=4 5097 B13R1.1511 CCNC(=O)c1ccc(cc1Cl)O 240690a_100015525214_100000702456 [0,2,0,0,0,0|2,0,0]=4 5098 B13R1.1511 CCNC(=O)c1ccc(cc1Cl)O 527a_100015525214_100000702456 [0,2,0,0,0,0|2,0,0]=4 5099 B13R1.1511 CCNC(=O)c1ccc(cc1F)Br 11a_100015525214_100000214689 [0,2,0,0,0,0|2,0,0]=4 5100 B13R1.1511 CCNC(=O)c1ccc(cc1F)Br 240690a_100015525214_100000214689 [0,2,0,0,0,0|2,0,0]=4 5101 B13R1.1511 CCNC(=O)c1ccc(cc1F)Br 527a_100015525214_100000214689 [0,2,0,0,0,0|2,0,0]=4 5102 B13R1.1511 CCNC(=O)c1ccc(cc1F)C 11a_100015525214_100000766033 [0,2,0,0,0,0|2,0,0]=4 5103 B13R1.1511 CCNC(=O)c1ccc(cc1F)C 240690a_100015525214_100000766033 [0,2,0,0,0,0|2,0,0]=4 5104 B13R1.1511 CCNC(=O)c1ccc(cc1F)C 527a_100015525214_100000766033 [0,2,0,0,0,0|2,0,0]=4 5105 B13R1.1511 CCNC(=O)c1ccc(cc1F)Cl 11a_100015525214_100000212326 [0,2,0,0,0,0|2,0,0]=4 5106 B13R1.1511 CCNC(=O)c1ccc(cc1F)Cl 240690a_100015525214_100000212326 [0,2,0,0,0,0|2,0,0]=4 5107 B13R1.1511 CCNC(=O)c1ccc(cc1F)Cl 527a_100015525214_100000212326 [0,2,0,0,0,0|2,0,0]=4 5108 B13R1.1511 CCNC(=O)c1ccc(cc1F)F 11a_100015525214_100000211022 [0,2,0,0,0,0|2,0,0]=4 5109 B13R1.1511 CCNC(=O)c1ccc(cc1F)F 240690a_100015525214_100000211022 [0,2,0,0,0,0|2,0,0]=4 5110 B13R1.1511 CCNC(=O)c1ccc(cc1F)F 527a_100015525214_100000211022 [0,2,0,0,0,0|2,0,0]=4 5111 B13R1.1511 CCNC(=O)c1ccc(cc1F)I 11a_100015525214_100000037189 [0,2,0,0,0,0|2,0,0]=4 5112 B13R1.1511 CCNC(=O)c1ccc(cc1F)I 240690a_100015525214_100000037189 [0,2,0,0,0,0|2,0,0]=4 5113 B13R1.1511 CCNC(=O)c1ccc(cc1F)I 527a_100015525214_100000037189 [0,2,0,0,0,0|2,0,0]=4 5114 B13R1.1511 CCNC(=O)c1ccc(cc1F)O 240690a_100015525214_100000689029 [0,2,0,0,0,0|2,0,0]=4 5115 B13R1.1511 CCNC(=O)c1ccc(cc1F)O 271570a_203496583355_200000215476 [0,2,0,0,0,0|2,0,0]=4 5116 B13R1.1511 CCNC(=O)c1ccc(cc1F)O 527a_100015525214_100000689029 [0,2,0,0,0,0|2,0,0]=4 5117 B13R1.1511 CCNC(=O)c1ccc(cc1I)Br 11a_100015525214_100000751167 [0,2,0,0,0,0|2,0,0]=4 5118 B13R1.1511 CCNC(=O)c1ccc(cc1I)Br 240690a_100015525214_100000751167 [0,2,0,0,0,0|2,0,0]=4 5119 B13R1.1511 CCNC(=O)c1ccc(cc1I)Br 527a_100015525214_100000751167 [0,2,0,0,0,0|2,0,0]=4 5120 B13R1.1511 CCNC(=O)c1ccc(cc1I)C 11a_100015525214_100009999607 [0,2,0,0,0,0|2,0,0]=4 5121 B13R1.1511 CCNC(=O)c1ccc(cc1I)C 240690a_100015525214_100009999607 [0,2,0,0,0,0|2,0,0]=4 5122 B13R1.1511 CCNC(=O)c1ccc(cc1I)C 527a_100015525214_100009999607 [0,2,0,0,0,0|2,0,0]=4 5123 B13R1.1511 CCNC(=O)c1ccc(cc1I)Cl 11a_100015525214_100000739380 [0,2,0,0,0,0|2,0,0]=4 5124 B13R1.1511 CCNC(=O)c1ccc(cc1I)Cl 240690a_100015525214_100000739380 [0,2,0,0,0,0|2,0,0]=4 5125 B13R1.1511 CCNC(=O)c1ccc(cc1I)Cl 527a_100015525214_100000739380 [0,2,0,0,0,0|2,0,0]=4 5126 B13R1.1511 CCNC(=O)c1ccc(cc1I)F 11a_100015525214_100000739341 [0,2,0,0,0,0|2,0,0]=4 5127 B13R1.1511 CCNC(=O)c1ccc(cc1I)F 240690a_100015525214_100000739341 [0,2,0,0,0,0|2,0,0]=4 5128 B13R1.1511 CCNC(=O)c1ccc(cc1I)F 527a_100015525214_100000739341 [0,2,0,0,0,0|2,0,0]=4 5129 B13R1.1511 CCNC(=O)c1ccc(cc1O)Br 240690a_100015525214_100000744433 [0,2,0,0,0,0|1,0,0]=3 5130 B13R1.1511 CCNC(=O)c1ccc(cc1O)Br 527a_100015525214_100000744433 [0,2,0,0,0,0|1,0,0]=3 5131 B13R1.1511 CCNC(=O)c1ccc(cc1O)C 240690a_100015525214_100000212137 [0,2,0,0,0,0|1,0,0]=3 5132 B13R1.1511 CCNC(=O)c1ccc(cc1O)C 527a_100015525214_100000212137 [0,2,0,0,0,0|1,0,0]=3 5133 B13R1.1511 CCNC(=O)c1ccc(cc1O)Cl 11a_100015525214_100000188622 [0,2,0,0,0,0|1,0,0]=3 5134 B13R1.1511 CCNC(=O)c1ccc(cc1O)Cl 240690a_100015525214_100000188622 [0,2,0,0,0,0|1,0,0]=3 5135 B13R1.1511 CCNC(=O)c1ccc(cc1O)Cl 527a_100015525214_100000188622 [0,2,0,0,0,0|1,0,0]=3 5136 B13R1.1511 CCNC(=O)c1ccc(cc1O)F 240690a_100015525214_100000746061 [0,2,0,0,0,0|1,0,0]=3 5137 B13R1.1511 CCNC(=O)c1ccc(cc1O)F 271570a_203496583355_100000203945 [0,2,0,0,0,0|1,0,0]=3 5138 B13R1.1511 CCNC(=O)c1ccc(cc1O)F 527a_100015525214_100000746061 [0,2,0,0,0,0|1,0,0]=3 5139 B13R1.1511 CCNC(=O)c1ccc(cc1O)I 240690a_100015525214_100000091984 [0,2,0,0,0,0|1,0,0]=3 5140 B13R1.1511 CCNC(=O)c1ccc(cc1O)I 527a_100015525214_100000091984 [0,2,0,0,0,0|1,0,0]=3 5141 B13R1.1511 CCOC(=O)c1ccc(cc1O)C 271570a_203496583355_200012185120 [0,2,0,0,0,0|2,0,0]=4 5142 B13R1.1511 CCOC(=O)c1ccc(cc1O)Cl 271570a_203496583355_100000047509 [0,2,0,0,0,0|2,0,0]=4 5143 B13R1.1511 CCOC(=O)c1ccc(cc1O)F 271570a_203496583355_100011206307 [0,2,0,0,0,0|2,0,0]=4 5144 B13R1.1511 CNCC(=O)c1ccc(cc1Br)F 34a_100102657272_100012361341 [0,2,0,0,0,0|2,0,0]=4 5145 B13R1.1511 CNCC(=O)c1ccc(cc1Br)F 7a_106832991635_100012361341 [0,2,0,0,0,0|2,0,0]=4 5146 B13R1.1511 CNCC(=O)c1ccc(cc1C)C 2230a_106832991635_100000229959 [0,2,0,0,0,0|2,0,0]=4 5147 B13R1.1511 CNCC(=O)c1ccc(cc1C)C 34a_100102657272_100000229959 [0,2,0,0,0,0|2,0,0]=4 5148 B13R1.1511 CNCC(=O)c1ccc(cc1C)C 7a_106832991635_100000229959 [0,2,0,0,0,0|2,0,0]=4 5149 B13R1.1511 CNCC(=O)c1ccc(cc1Cl)Cl 2230a_106832991635_100011218845 [0,2,0,0,0,0|2,0,0]=4 5150 B13R1.1511 CNCC(=O)c1ccc(cc1Cl)F 2230a_106832991635_100012056422 [0,2,0,0,0,0|2,0,0]=4 5151 B13R1.1511 CNCC(=O)c1ccc(cc1Cl)F 34a_100102657272_100012056422 [0,2,0,0,0,0|2,0,0]=4 5152 B13R1.1511 CNCC(=O)c1ccc(cc1F)Br 34a_100102657272_200012361339 [0,2,0,0,0,0|2,0,0]=4 5153 B13R1.1511 CNCC(=O)c1ccc(cc1F)Br 7a_106832991635_200012361339 [0,2,0,0,0,0|2,0,0]=4 5154 B13R1.1511 CNCC(=O)c1ccc(cc1F)Cl 34a_100102657272_100012351891 [0,2,0,0,0,0|2,0,0]=4 5155 B13R1.1511 CNCC(=O)c1ccc(cc1F)Cl 7a_106832991635_100012351891 [0,2,0,0,0,0|2,0,0]=4 5156 B13R1.1511 CNCC(=O)c1ccc(cc1F)F 34a_100102657272_100000229962 [0,2,0,0,0,0|2,0,0]=4 5157 B13R1.1511 CNCC(=O)c1ccc(cc1F)F 7a_106832991635_100000229962 [0,2,0,0,0,0|2,0,0]=4 5158 B13R1.1511 CNCC(=O)c1ccc(cc1O)F 34a_100102657272_100009817053 [0,2,0,0,0,0|1,0,0]=3 5159 B13R1.1511 CNCC(=O)c1ccc(cc1O)O 34a_100102657272_100009814262 [0,2,0,0,0,0|1,0,0]=3 5160 B13R1.1511 CNCC(=O)c1ccc(cc1O)O 7a_106832991635_100009814262 [0,2,0,0,0,0|1,0,0]=3 5161 B13R1.1511 CNNC(=O)c1ccc(cc1Br)Br 22a_100016993582_100000762965 [0,2,0,0,0,0|2,0,0]=4 5162 B13R1.1511 CNNC(=O)c1ccc(cc1Br)C 22a_100016993582_100000685072 [0,2,0,0,0,0|2,0,0]=4 5163 B13R1.1511 CNNC(=O)c1ccc(cc1Br)Cl 22a_100016993582_100000766353 [0,2,0,0,0,0|2,0,0]=4 5164 B13R1.1511 CNNC(=O)c1ccc(cc1Br)F 22a_100016993582_100000212304 [0,2,0,0,0,0|2,0,0]=4 5165 B13R1.1511 CNNC(=O)c1ccc(cc1Br)I 22a_100016993582_100012360512 [0,2,0,0,0,0|2,0,0]=4 5166 B13R1.1511 CNNC(=O)c1ccc(cc1Br)O 22a_100016993582_100012344906 [0,2,0,0,0,0|2,0,0]=4 5167 B13R1.1511 CNNC(=O)c1ccc(cc1C)Br 22a_100016993582_100000741311 [0,2,0,0,0,0|2,0,0]=4 5168 B13R1.1511 CNNC(=O)c1ccc(cc1C)C 22a_100016993582_100000211164 [0,2,0,0,0,0|2,0,0]=4 5169 B13R1.1511 CNNC(=O)c1ccc(cc1C)Cl 22a_100016993582_100000688705 [0,2,0,0,0,0|2,0,0]=4 5170 B13R1.1511 CNNC(=O)c1ccc(cc1C)F 22a_100016993582_100000686989 [0,2,0,0,0,0|2,0,0]=4 5171 B13R1.1511 CNNC(=O)c1ccc(cc1C)I 22a_100016993582_100010189873 [0,2,0,0,0,0|2,0,0]=4 5172 B13R1.1511 CNNC(=O)c1ccc(cc1Cl)Br 22a_100016993582_100000741628 [0,2,0,0,0,0|2,0,0]=4 5173 B13R1.1511 CNNC(=O)c1ccc(cc1Cl)C 22a_100016993582_100000766932 [0,2,0,0,0,0|2,0,0]=4 5174 B13R1.1511 CNNC(=O)c1ccc(cc1Cl)Cl 22a_100016993582_100000185840 [0,2,0,0,0,0|2,0,0]=4 5175 B13R1.1511 CNNC(=O)c1ccc(cc1Cl)F 22a_100016993582_100000211397 [0,2,0,0,0,0|2,0,0]=4 5176 B13R1.1511 CNNC(=O)c1ccc(cc1Cl)I 22a_100016993582_100000751301 [0,2,0,0,0,0|2,0,0]=4 5177 B13R1.1511 CNNC(=O)c1ccc(cc1Cl)O 22a_100016993582_100000702456 [0,2,0,0,0,0|2,0,0]=4 5178 B13R1.1511 CNNC(=O)c1ccc(cc1F)Br 22a_100016993582_100000214689 [0,2,0,0,0,0|2,0,0]=4 5179 B13R1.1511 CNNC(=O)c1ccc(cc1F)C 22a_100016993582_100000766033 [0,2,0,0,0,0|2,0,0]=4 5180 B13R1.1511 CNNC(=O)c1ccc(cc1F)Cl 22a_100016993582_100000212326 [0,2,0,0,0,0|2,0,0]=4 5181 B13R1.1511 CNNC(=O)c1ccc(cc1F)F 22a_100016993582_100000211022 [0,2,0,0,0,0|2,0,0]=4 5182 B13R1.1511 CNNC(=O)c1ccc(cc1F)I 22a_100016993582_100000037189 [0,2,0,0,0,0|2,0,0]=4 5183 B13R1.1511 CNNC(=O)c1ccc(cc1F)O 22a_100016993582_100000689029 [0,2,0,0,0,0|2,0,0]=4 5184 B13R1.1511 CNNC(=O)c1ccc(cc1I)Br 22a_100016993582_100000751167 [0,2,0,0,0,0|2,0,0]=4 5185 B13R1.1511 CNNC(=O)c1ccc(cc1I)C 22a_100016993582_100009999607 [0,2,0,0,0,0|2,0,0]=4 5186 B13R1.1511 CNNC(=O)c1ccc(cc1I)Cl 22a_100016993582_100000739380 [0,2,0,0,0,0|2,0,0]=4 5187 B13R1.1511 CNNC(=O)c1ccc(cc1I)F 22a_100016993582_100000739341 [0,2,0,0,0,0|2,0,0]=4 5188 B13R1.1511 CNNC(=O)c1ccc(cc1O)Br 22a_100016993582_100000744433 [0,2,0,0,0,0|1,0,0]=3 5189 B13R1.1511 CNNC(=O)c1ccc(cc1O)C 22a_100016993582_100000212137 [0,2,0,0,0,0|1,0,0]=3 5190 B13R1.1511 CNNC(=O)c1ccc(cc1O)Cl 22a_100016993582_100000188622 [0,2,0,0,0,0|1,0,0]=3 5191 B13R1.1511 CNNC(=O)c1ccc(cc1O)F 22a_100016993582_100000746061 [0,2,0,0,0,0|1,0,0]=3 5192 B13R1.1511 CNNC(=O)c1ccc(cc1O)I 22a_100016993582_100000091984 [0,2,0,0,0,0|1,0,0]=3 5193 B13R1.1511 CNNC(=O)c1ccc(cc1O)O 22a_100016993582_100000212172 [0,2,0,0,0,0|1,0,0]=3 5194 B13R1.1511 COCC(=O)c1ccc(cc1Br)F 34a_100138415774_100012361341 [0,2,0,0,0,0|2,0,0]=4 5195 B13R1.1511 COCC(=O)c1ccc(cc1C)C 34a_100138415774_100000229959 [0,2,0,0,0,0|2,0,0]=4 5196 B13R1.1511 COCC(=O)c1ccc(cc1Cl)F 34a_100138415774_100012056422 [0,2,0,0,0,0|2,0,0]=4 5197 B13R1.1511 COCC(=O)c1ccc(cc1F)Br 34a_100138415774_200012361339 [0,2,0,0,0,0|2,0,0]=4 5198 B13R1.1511 COCC(=O)c1ccc(cc1F)Cl 34a_100138415774_100012351891 [0,2,0,0,0,0|2,0,0]=4 5199 B13R1.1511 COCC(=O)c1ccc(cc1F)F 34a_100138415774_100000229962 [0,2,0,0,0,0|2,0,0]=4 5200 B13R1.1511 COCC(=O)c1ccc(cc1O)F 34a_100138415774_100009817053 [0,2,0,0,0,0|1,0,0]=3 5201 B13R1.1511 COCC(=O)c1ccc(cc1O)O 34a_100138415774_100009814262 [0,2,0,0,0,0|1,0,0]=3 5202 B13R1.1511 CSCC(=O)c1ccc(cc1O)F 62a_100009817053_200000210301 [0,2,0,0,0,0|1,1,0]=4 5203 B13R1.1511 CSCC(=O)c1ccc(cc1O)F 62a_200000210301_100009817053 [0,2,0,0,0,0|1,1,0]=4 5204 B13R1.1511 CSCC(=O)c1ccc(cc1O)O 62a_100009814262_200000210301 [0,2,0,0,0,0|1,1,0]=4 5205 B13R1.1511 CSCC(=O)c1ccc(cc1O)O 62a_200000210301_100009814262 [0,2,0,0,0,0|1,1,0]=4 5206 B13R1.1511 Cc1cc(ccc1C(=O)CCO)Br 1458a_100000741311_100000211926 [0,2,0,0,0,0|2,0,0]=4 5207 B13R1.1511 Cc1cc(ccc1C(=O)CCO)Cl 1458a_100000688705_100000211926 [0,2,0,0,0,0|2,0,0]=4 5208 B13R1.1511 Cc1cc(ccc1C(=O)CCO)F 1458a_100000686989_100000211926 [0,2,0,0,0,0|2,0,0]=4 5209 B13R1.1511 Cc1cc(ccc1C(=O)CCO)I 1458a_100010189873_100000211926 [0,2,0,0,0,0|2,0,0]=4 5210 B13R1.1511 Cc1cc(ccc1C(=O)CCO)O 1458a_100000692822_100000211926 [0,2,0,0,0,0|2,0,0]=4 5211 B13R1.1511 Cc1ccc(c(c1)Br)C(=O)CCO 1458a_100000685072_100000211926 [0,2,0,0,0,0|2,0,0]=4 5212 B13R1.1511 Cc1ccc(c(c1)C)C(=O)CCO 1458a_100000211164_100000211926 [0,2,0,0,0,0|2,0,0]=4 5213 B13R1.1511 Cc1ccc(c(c1)Cl)C(=O)CCO 1458a_100000766932_100000211926 [0,2,0,0,0,0|2,0,0]=4 5214 B13R1.1511 Cc1ccc(c(c1)F)C(=O)CCO 1458a_100000766033_100000211926 [0,2,0,0,0,0|2,0,0]=4 5215 B13R1.1511 Cc1ccc(c(c1)I)C(=O)CCO 1458a_100009999607_100000211926 [0,2,0,0,0,0|2,0,0]=4 5216 B13R1.1511 Cc1ccc(c(c1)O)C(=O)CC#N 1458a_100000212137_100011214920 [0,2,0,0,0,0|2,0,0]=4 5217 B13R1.1511 Cc1ccc(c(c1)O)C(=O)CCF 1458a_100000212137_100011217306 [0,2,0,0,0,0|2,0,0]=4 5218 B13R1.1511 Cc1ccc(c(c1)O)C(=O)CCO 1458a_100000212137_100000211926 [0,2,0,0,0,0|1,0,0]=3 5219 B13R1.1511 N#CCC(=O)c1ccc(cc1O)Br 1458a_100000744433_100011214920 [0,2,0,0,0,0|2,0,0]=4 5220 B13R1.1511 N#CCC(=O)c1ccc(cc1O)Cl 1458a_100000188622_100011214920 [0,2,0,0,0,0|2,0,0]=4 5221 B13R1.1511 N#CCC(=O)c1ccc(cc1O)F 1458a_100000746061_100011214920 [0,2,0,0,0,0|2,0,0]=4 5222 B13R1.1511 N#CCC(=O)c1ccc(cc1O)I 1458a_100000091984_100011214920 [0,2,0,0,0,0|2,0,0]=4 5223 B13R1.1511 N#CCC(=O)c1ccc(cc1O)O 1458a_100000212172_100011214920 [0,2,0,0,0,0|2,0,0]=4 5224 B13R1.1511 O=C(CCF)c1ccc(cc1O)Br 1458a_100000744433_100011217306 [0,2,0,0,0,0|2,0,0]=4 5225 B13R1.1511 O=C(CCF)c1ccc(cc1O)Cl 1458a_100000188622_100011217306 [0,2,0,0,0,0|2,0,0]=4 5226 B13R1.1511 O=C(CCF)c1ccc(cc1O)F 1458a_100000746061_100011217306 [0,2,0,0,0,0|2,0,0]=4 5227 B13R1.1511 O=C(CCF)c1ccc(cc1O)I 1458a_100000091984_100011217306 [0,2,0,0,0,0|2,0,0]=4 5228 B13R1.1511 O=C(CCF)c1ccc(cc1O)O 1458a_100000212172_100011217306 [0,2,0,0,0,0|2,0,0]=4 5229 B13R1.1511 O=C(CCO)c1ccc(cc1Br)Br 1458a_100000762965_100000211926 [0,2,0,0,0,0|2,0,0]=4 5230 B13R1.1511 O=C(CCO)c1ccc(cc1Br)Cl 1458a_100000766353_100000211926 [0,2,0,0,0,0|2,0,0]=4 5231 B13R1.1511 O=C(CCO)c1ccc(cc1Br)F 1458a_100000212304_100000211926 [0,2,0,0,0,0|2,0,0]=4 5232 B13R1.1511 O=C(CCO)c1ccc(cc1Br)I 1458a_100012360512_100000211926 [0,2,0,0,0,0|2,0,0]=4 5233 B13R1.1511 O=C(CCO)c1ccc(cc1Br)O 1458a_100012344906_100000211926 [0,2,0,0,0,0|2,0,0]=4 5234 B13R1.1511 O=C(CCO)c1ccc(cc1Cl)Br 1458a_100000741628_100000211926 [0,2,0,0,0,0|2,0,0]=4 5235 B13R1.1511 O=C(CCO)c1ccc(cc1Cl)Cl 1458a_100000185840_100000211926 [0,2,0,0,0,0|2,0,0]=4 5236 B13R1.1511 O=C(CCO)c1ccc(cc1Cl)F 1458a_100000211397_100000211926 [0,2,0,0,0,0|2,0,0]=4 5237 B13R1.1511 O=C(CCO)c1ccc(cc1Cl)I 1458a_100000751301_100000211926 [0,2,0,0,0,0|2,0,0]=4 5238 B13R1.1511 O=C(CCO)c1ccc(cc1Cl)O 1458a_100000702456_100000211926 [0,2,0,0,0,0|2,0,0]=4 5239 B13R1.1511 O=C(CCO)c1ccc(cc1F)Br 1458a_100000214689_100000211926 [0,2,0,0,0,0|2,0,0]=4 5240 B13R1.1511 O=C(CCO)c1ccc(cc1F)Cl 1458a_100000212326_100000211926 [0,2,0,0,0,0|2,0,0]=4 5241 B13R1.1511 O=C(CCO)c1ccc(cc1F)F 1458a_100000211022_100000211926 [0,2,0,0,0,0|2,0,0]=4 5242 B13R1.1511 O=C(CCO)c1ccc(cc1F)I 1458a_100000037189_100000211926 [0,2,0,0,0,0|2,0,0]=4 5243 B13R1.1511 O=C(CCO)c1ccc(cc1F)O 1458a_100000689029_100000211926 [0,2,0,0,0,0|2,0,0]=4 5244 B13R1.1511 O=C(CCO)c1ccc(cc1I)Br 1458a_100000751167_100000211926 [0,2,0,0,0,0|2,0,0]=4 5245 B13R1.1511 O=C(CCO)c1ccc(cc1I)Cl 1458a_100000739380_100000211926 [0,2,0,0,0,0|2,0,0]=4 5246 B13R1.1511 O=C(CCO)c1ccc(cc1I)F 1458a_100000739341_100000211926 [0,2,0,0,0,0|2,0,0]=4 5247 B13R1.1511 O=C(CCO)c1ccc(cc1O)Br 1458a_100000744433_100000211926 [0,2,0,0,0,0|1,0,0]=3 5248 B13R1.1511 O=C(CCO)c1ccc(cc1O)Cl 1458a_100000188622_100000211926 [0,2,0,0,0,0|1,0,0]=3 5249 B13R1.1511 O=C(CCO)c1ccc(cc1O)F 1458a_100000746061_100000211926 [0,2,0,0,0,0|1,0,0]=3 5250 B13R1.1511 O=C(CCO)c1ccc(cc1O)I 1458a_100000091984_100000211926 [0,2,0,0,0,0|1,0,0]=3 5251 B13R1.1511 O=C(CCO)c1ccc(cc1O)O 1458a_100000212172_100000211926 [0,2,0,0,0,0|1,0,0]=3 5252 B13R1.1511 [13CH3]SCC(=O)c1ccc(cc1O)F 62a_100009817053_200025704644 [0,2,0,0,0,0|1,1,0]=4 5253 B13R1.1511 [13CH3]SCC(=O)c1ccc(cc1O)F 62a_200025704644_100009817053 [0,2,0,0,0,0|1,1,0]=4 5254 B13R1.1511 [13CH3]SCC(=O)c1ccc(cc1O)O 62a_100009814262_200025704644 [0,2,0,0,0,0|1,1,0]=4 5255 B13R1.1511 [13CH3]SCC(=O)c1ccc(cc1O)O 62a_200025704644_100009814262 [0,2,0,0,0,0|1,1,0]=4 5256 B13R1.4453 C#CCC(=O)c1c(cccc1Br)O 1458a_100011935254_100000184674 [0,2,0,0,0,0|2,0,0]=4 5257 B13R1.4453 C#CCC(=O)c1c(cccc1Cl)O 1458a_100000745519_100000184674 [0,2,0,0,0,0|2,0,0]=4 5258 B13R1.4453 C#CCC(=O)c1c(cccc1F)O 1458a_100000763259_100000184674 [0,2,0,0,0,0|2,0,0]=4 5259 B13R1.4453 C#CCC(=O)c1c(cccc1O)C 1458a_100011934116_100000184674 [0,2,0,0,0,0|2,0,0]=4 5260 B13R1.4453 C#CCC(=O)c1c(cccc1O)O 1458a_100000755285_100000184674 [0,2,0,0,0,0|2,0,0]=4 5261 B13R1.4453 C=CCC(=O)c1c(cccc1Br)O 1458a_100011935254_100000210623 [0,2,0,0,0,0|2,0,0]=4 5262 B13R1.4453 C=CCC(=O)c1c(cccc1Cl)O 1458a_100000745519_100000210623 [0,2,0,0,0,0|2,0,0]=4 5263 B13R1.4453 C=CCC(=O)c1c(cccc1F)O 1458a_100000763259_100000210623 [0,2,0,0,0,0|2,0,0]=4 5264 B13R1.4453 C=CCC(=O)c1c(cccc1O)C 1458a_100011934116_100000210623 [0,2,0,0,0,0|2,0,0]=4 5265 B13R1.4453 C=CCC(=O)c1c(cccc1O)O 1458a_100000755285_100000210623 [0,2,0,0,0,0|2,0,0]=4 5266 B13R1.4453 CCCC(=O)c1c(cccc1Br)O 1458a_100011935254_100000210303 [0,2,0,0,0,0|2,0,0]=4 5267 B13R1.4453 CCCC(=O)c1c(cccc1Cl)O 1458a_100000745519_100000210303 [0,2,0,0,0,0|2,0,0]=4 5268 B13R1.4453 CCCC(=O)c1c(cccc1F)O 1458a_100000763259_100000210303 [0,2,0,0,0,0|2,0,0]=4 5269 B13R1.4453 CCCC(=O)c1c(cccc1O)C 1458a_100011934116_100000210303 [0,2,0,0,0,0|2,0,0]=4 5270 B13R1.4453 CCCC(=O)c1c(cccc1O)O 1458a_100000755285_100000210303 [0,2,0,0,0,0|2,0,0]=4 5271 B13R1.4453 CCNC(=O)c1c(cccc1Br)Br 11a_100015525214_100000690891 [0,2,0,0,0,0|2,0,0]=4 5272 B13R1.4453 CCNC(=O)c1c(cccc1Br)Br 240690a_100015525214_100000690891 [0,2,0,0,0,0|2,0,0]=4 5273 B13R1.4453 CCNC(=O)c1c(cccc1Br)Br 527a_100015525214_100000690891 [0,2,0,0,0,0|2,0,0]=4 5274 B13R1.4453 CCNC(=O)c1c(cccc1Br)C 11a_100015525214_100000701904 [0,2,0,0,0,0|2,0,0]=4 5275 B13R1.4453 CCNC(=O)c1c(cccc1Br)C 240690a_100015525214_100000701904 [0,2,0,0,0,0|2,0,0]=4 5276 B13R1.4453 CCNC(=O)c1c(cccc1Br)C 527a_100015525214_100000701904 [0,2,0,0,0,0|2,0,0]=4 5277 B13R1.4453 CCNC(=O)c1c(cccc1Br)Cl 11a_100015525214_100011253703 [0,2,0,0,0,0|2,0,0]=4 5278 B13R1.4453 CCNC(=O)c1c(cccc1Br)Cl 240690a_100015525214_100011253703 [0,2,0,0,0,0|2,0,0]=4 5279 B13R1.4453 CCNC(=O)c1c(cccc1Br)Cl 527a_100015525214_100011253703 [0,2,0,0,0,0|2,0,0]=4 5280 B13R1.4453 CCNC(=O)c1c(cccc1Br)F 11a_100015525214_100000752694 [0,2,0,0,0,0|2,0,0]=4 5281 B13R1.4453 CCNC(=O)c1c(cccc1Br)F 240690a_100015525214_100000752694 [0,2,0,0,0,0|2,0,0]=4 5282 B13R1.4453 CCNC(=O)c1c(cccc1Br)F 527a_100015525214_100000752694 [0,2,0,0,0,0|2,0,0]=4 5283 B13R1.4453 CCNC(=O)c1c(cccc1Br)O 240690a_100015525214_100011935254 [0,2,0,0,0,0|1,0,0]=3 5284 B13R1.4453 CCNC(=O)c1c(cccc1Br)O 527a_100015525214_100011935254 [0,2,0,0,0,0|1,0,0]=3 5285 B13R1.4453 CCNC(=O)c1c(cccc1C)C 11a_100015525214_100000758298 [0,2,0,0,0,0|2,0,0]=4 5286 B13R1.4453 CCNC(=O)c1c(cccc1C)C 240690a_100015525214_100000758298 [0,2,0,0,0,0|2,0,0]=4 5287 B13R1.4453 CCNC(=O)c1c(cccc1Cl)C 11a_100015525214_100000692601 [0,2,0,0,0,0|2,0,0]=4 5288 B13R1.4453 CCNC(=O)c1c(cccc1Cl)C 240690a_100015525214_100000692601 [0,2,0,0,0,0|2,0,0]=4 5289 B13R1.4453 CCNC(=O)c1c(cccc1Cl)Cl 11a_100015525214_100000210656 [0,2,0,0,0,0|2,0,0]=4 5290 B13R1.4453 CCNC(=O)c1c(cccc1Cl)Cl 240690a_100015525214_100000210656 [0,2,0,0,0,0|2,0,0]=4 5291 B13R1.4453 CCNC(=O)c1c(cccc1Cl)F 11a_100015525214_100000210369 [0,2,0,0,0,0|2,0,0]=4 5292 B13R1.4453 CCNC(=O)c1c(cccc1Cl)F 240690a_100015525214_100000210369 [0,2,0,0,0,0|2,0,0]=4 5293 B13R1.4453 CCNC(=O)c1c(cccc1Cl)F 527a_100015525214_100000210369 [0,2,0,0,0,0|2,0,0]=4 5294 B13R1.4453 CCNC(=O)c1c(cccc1Cl)O 240690a_100015525214_100000745519 [0,2,0,0,0,0|1,0,0]=3 5295 B13R1.4453 CCNC(=O)c1c(cccc1Cl)O 527a_100015525214_100000745519 [0,2,0,0,0,0|1,0,0]=3 5296 B13R1.4453 CCNC(=O)c1c(cccc1F)C 11a_100015525214_100000762013 [0,2,0,0,0,0|2,0,0]=4 5297 B13R1.4453 CCNC(=O)c1c(cccc1F)C 240690a_100015525214_100000762013 [0,2,0,0,0,0|2,0,0]=4 5298 B13R1.4453 CCNC(=O)c1c(cccc1F)C 527a_100015525214_100000762013 [0,2,0,0,0,0|2,0,0]=4 5299 B13R1.4453 CCNC(=O)c1c(cccc1F)F 11a_100015525214_100000210804 [0,2,0,0,0,0|2,0,0]=4 5300 B13R1.4453 CCNC(=O)c1c(cccc1F)F 240690a_100015525214_100000210804 [0,2,0,0,0,0|2,0,0]=4 5301 B13R1.4453 CCNC(=O)c1c(cccc1F)F 527a_100015525214_100000210804 [0,2,0,0,0,0|2,0,0]=4 5302 B13R1.4453 CCNC(=O)c1c(cccc1F)O 527a_100015525214_100000763259 [0,2,0,0,0,0|1,0,0]=3 5303 B13R1.4453 CCNC(=O)c1c(cccc1I)Br 11a_100015525214_100010232521 [0,2,0,0,0,0|2,0,0]=4 5304 B13R1.4453 CCNC(=O)c1c(cccc1I)Br 240690a_100015525214_100010232521 [0,2,0,0,0,0|2,0,0]=4 5305 B13R1.4453 CCNC(=O)c1c(cccc1I)Br 527a_100015525214_100010232521 [0,2,0,0,0,0|2,0,0]=4 5306 B13R1.4453 CCNC(=O)c1c(cccc1I)C 11a_100015525214_100000688020 [0,2,0,0,0,0|2,0,0]=4 5307 B13R1.4453 CCNC(=O)c1c(cccc1I)C 240690a_100015525214_100000688020 [0,2,0,0,0,0|2,0,0]=4 5308 B13R1.4453 CCNC(=O)c1c(cccc1I)Cl 11a_100015525214_100000702859 [0,2,0,0,0,0|2,0,0]=4 5309 B13R1.4453 CCNC(=O)c1c(cccc1I)Cl 240690a_100015525214_100000702859 [0,2,0,0,0,0|2,0,0]=4 5310 B13R1.4453 CCNC(=O)c1c(cccc1I)Cl 527a_100015525214_100000702859 [0,2,0,0,0,0|2,0,0]=4 5311 B13R1.4453 CCNC(=O)c1c(cccc1I)F 11a_100015525214_100000023732 [0,2,0,0,0,0|2,0,0]=4 5312 B13R1.4453 CCNC(=O)c1c(cccc1I)F 240690a_100015525214_100000023732 [0,2,0,0,0,0|2,0,0]=4 5313 B13R1.4453 CCNC(=O)c1c(cccc1O)O 527a_100015525214_100000755285 [0,2,0,0,0,0|1,0,0]=3 5314 B13R1.4453 CCOC(=O)c1c(cccc1F)O 271570a_203496583355_100012357633 [0,2,0,0,0,0|2,0,0]=4 5315 B13R1.4453 CNCC(=O)c1c(cccc1Cl)Cl 2230a_106832991635_100012340516 [0,2,0,0,0,0|2,0,0]=4 5316 B13R1.4453 CNCC(=O)c1c(cccc1Cl)Cl 34a_100102657272_100012340516 [0,2,0,0,0,0|2,0,0]=4 5317 B13R1.4453 CNCC(=O)c1c(cccc1Cl)F 2230a_106832991635_100011219195 [0,2,0,0,0,0|2,0,0]=4 5318 B13R1.4453 CNCC(=O)c1c(cccc1Cl)F 34a_100102657272_100011219195 [0,2,0,0,0,0|2,0,0]=4 5319 B13R1.4453 CNCC(=O)c1c(cccc1F)F 34a_100102657272_100000199083 [0,2,0,0,0,0|2,0,0]=4 5320 B13R1.4453 CNNC(=O)c1c(cccc1Br)Br 22a_100016993582_100000690891 [0,2,0,0,0,0|2,0,0]=4 5321 B13R1.4453 CNNC(=O)c1c(cccc1Br)C 22a_100016993582_100000701904 [0,2,0,0,0,0|2,0,0]=4 5322 B13R1.4453 CNNC(=O)c1c(cccc1Br)Cl 22a_100016993582_100011253703 [0,2,0,0,0,0|2,0,0]=4 5323 B13R1.4453 CNNC(=O)c1c(cccc1Br)F 22a_100016993582_100000752694 [0,2,0,0,0,0|2,0,0]=4 5324 B13R1.4453 CNNC(=O)c1c(cccc1Br)O 22a_100016993582_100011935254 [0,2,0,0,0,0|1,0,0]=3 5325 B13R1.4453 CNNC(=O)c1c(cccc1C)C 22a_100016993582_100000758298 [0,2,0,0,0,0|2,0,0]=4 5326 B13R1.4453 CNNC(=O)c1c(cccc1Cl)C 22a_100016993582_100000692601 [0,2,0,0,0,0|2,0,0]=4 5327 B13R1.4453 CNNC(=O)c1c(cccc1Cl)Cl 22a_100016993582_100000210656 [0,2,0,0,0,0|2,0,0]=4 5328 B13R1.4453 CNNC(=O)c1c(cccc1Cl)F 22a_100016993582_100000210369 [0,2,0,0,0,0|2,0,0]=4 5329 B13R1.4453 CNNC(=O)c1c(cccc1Cl)O 22a_100016993582_100000745519 [0,2,0,0,0,0|1,0,0]=3 5330 B13R1.4453 CNNC(=O)c1c(cccc1F)C 22a_100016993582_100000762013 [0,2,0,0,0,0|2,0,0]=4 5331 B13R1.4453 CNNC(=O)c1c(cccc1F)F 22a_100016993582_100000210804 [0,2,0,0,0,0|2,0,0]=4 5332 B13R1.4453 CNNC(=O)c1c(cccc1F)O 22a_100016993582_100000763259 [0,2,0,0,0,0|1,0,0]=3 5333 B13R1.4453 CNNC(=O)c1c(cccc1I)Br 22a_100016993582_100010232521 [0,2,0,0,0,0|2,0,0]=4 5334 B13R1.4453 CNNC(=O)c1c(cccc1I)C 22a_100016993582_100000688020 [0,2,0,0,0,0|2,0,0]=4 5335 B13R1.4453 CNNC(=O)c1c(cccc1I)Cl 22a_100016993582_100000702859 [0,2,0,0,0,0|2,0,0]=4 5336 B13R1.4453 CNNC(=O)c1c(cccc1I)F 22a_100016993582_100000023732 [0,2,0,0,0,0|2,0,0]=4 5337 B13R1.4453 CNNC(=O)c1c(cccc1O)C 22a_100016993582_100011934116 [0,2,0,0,0,0|1,0,0]=3 5338 B13R1.4453 COCC(=O)c1c(cccc1Cl)Cl 34a_100138415774_100012340516 [0,2,0,0,0,0|2,0,0]=4 5339 B13R1.4453 COCC(=O)c1c(cccc1Cl)F 34a_100138415774_100011219195 [0,2,0,0,0,0|2,0,0]=4 5340 B13R1.4453 COCC(=O)c1c(cccc1F)F 34a_100138415774_100000199083 [0,2,0,0,0,0|2,0,0]=4 5341 B13R1.4453 Cc1cccc(c1C(=O)CC#N)O 1458a_100011934116_100011214920 [0,2,0,0,0,0|2,0,0]=4 5342 B13R1.4453 Cc1cccc(c1C(=O)CCF)O 1458a_100011934116_100011217306 [0,2,0,0,0,0|2,0,0]=4 5343 B13R1.4453 Cc1cccc(c1C(=O)CCO)Br 1458a_100000701904_100000211926 [0,2,0,0,0,0|2,0,0]=4 5344 B13R1.4453 Cc1cccc(c1C(=O)CCO)C 1458a_100000758298_100000211926 [0,2,0,0,0,0|2,0,0]=4 5345 B13R1.4453 Cc1cccc(c1C(=O)CCO)Cl 1458a_100000692601_100000211926 [0,2,0,0,0,0|2,0,0]=4 5346 B13R1.4453 Cc1cccc(c1C(=O)CCO)F 1458a_100000762013_100000211926 [0,2,0,0,0,0|2,0,0]=4 5347 B13R1.4453 Cc1cccc(c1C(=O)CCO)I 1458a_100000688020_100000211926 [0,2,0,0,0,0|2,0,0]=4 5348 B13R1.4453 Cc1cccc(c1C(=O)CCO)O 1458a_100011934116_100000211926 [0,2,0,0,0,0|1,0,0]=3 5349 B13R1.4453 N#CCC(=O)c1c(cccc1Br)O 1458a_100011935254_100011214920 [0,2,0,0,0,0|2,0,0]=4 5350 B13R1.4453 N#CCC(=O)c1c(cccc1Cl)O 1458a_100000745519_100011214920 [0,2,0,0,0,0|2,0,0]=4 5351 B13R1.4453 N#CCC(=O)c1c(cccc1F)O 1458a_100000763259_100011214920 [0,2,0,0,0,0|2,0,0]=4 5352 B13R1.4453 N#CCC(=O)c1c(cccc1O)O 1458a_100000755285_100011214920 [0,2,0,0,0,0|2,0,0]=4 5353 B13R1.4453 O=C(CCF)c1c(cccc1Br)O 1458a_100011935254_100011217306 [0,2,0,0,0,0|2,0,0]=4 5354 B13R1.4453 O=C(CCF)c1c(cccc1Cl)O 1458a_100000745519_100011217306 [0,2,0,0,0,0|2,0,0]=4 5355 B13R1.4453 O=C(CCF)c1c(cccc1F)O 1458a_100000763259_100011217306 [0,2,0,0,0,0|2,0,0]=4 5356 B13R1.4453 O=C(CCF)c1c(cccc1O)O 1458a_100000755285_100011217306 [0,2,0,0,0,0|2,0,0]=4 5357 B13R1.4453 O=C(CCO)c1c(cccc1Br)Br 1458a_100000690891_100000211926 [0,2,0,0,0,0|2,0,0]=4 5358 B13R1.4453 O=C(CCO)c1c(cccc1Br)Cl 1458a_100011253703_100000211926 [0,2,0,0,0,0|2,0,0]=4 5359 B13R1.4453 O=C(CCO)c1c(cccc1Br)F 1458a_100000752694_100000211926 [0,2,0,0,0,0|2,0,0]=4 5360 B13R1.4453 O=C(CCO)c1c(cccc1Br)O 1458a_100011935254_100000211926 [0,2,0,0,0,0|1,0,0]=3 5361 B13R1.4453 O=C(CCO)c1c(cccc1Cl)Cl 1458a_100000210656_100000211926 [0,2,0,0,0,0|2,0,0]=4 5362 B13R1.4453 O=C(CCO)c1c(cccc1Cl)F 1458a_100000210369_100000211926 [0,2,0,0,0,0|2,0,0]=4 5363 B13R1.4453 O=C(CCO)c1c(cccc1Cl)O 1458a_100000745519_100000211926 [0,2,0,0,0,0|1,0,0]=3 5364 B13R1.4453 O=C(CCO)c1c(cccc1F)F 1458a_100000210804_100000211926 [0,2,0,0,0,0|2,0,0]=4 5365 B13R1.4453 O=C(CCO)c1c(cccc1F)O 1458a_100000763259_100000211926 [0,2,0,0,0,0|1,0,0]=3 5366 B13R1.4453 O=C(CCO)c1c(cccc1I)Br 1458a_100010232521_100000211926 [0,2,0,0,0,0|2,0,0]=4 5367 B13R1.4453 O=C(CCO)c1c(cccc1I)Cl 1458a_100000702859_100000211926 [0,2,0,0,0,0|2,0,0]=4 5368 B13R1.4453 O=C(CCO)c1c(cccc1I)F 1458a_100000023732_100000211926 [0,2,0,0,0,0|2,0,0]=4 5369 B13R1.4453 O=C(CCO)c1c(cccc1O)O 1458a_100000755285_100000211926 [0,2,0,0,0,0|1,0,0]=3 5370 B13R1.1807 CCC(=O)c1cc(c(cc1O)Br)F 1458a_100010827371_100000210202 [0,2,0,0,0,0|2,0,0]=4 5371 B13R1.1807 CCC(=O)c1cc(c(cc1O)C)Br 1458a_100010233826_100000210202 [0,2,0,0,0,0|2,0,0]=4 5372 B13R1.1807 CCC(=O)c1cc(c(cc1O)C)C 1458a_100009831561_100000210202 [0,2,0,0,0,0|2,0,0]=4 5373 B13R1.1807 CCC(=O)c1cc(c(cc1O)Cl)Br 1458a_200009814723_100000210202 [0,2,0,0,0,0|2,0,0]=4 5374 B13R1.1807 CCC(=O)c1cc(c(cc1O)F)Br 1458a_100010188153_100000210202 [0,2,0,0,0,0|2,0,0]=4 5375 B13R1.1807 CCC(=O)c1cc(c(cc1O)F)Cl 1458a_100009910333_100000210202 [0,2,0,0,0,0|2,0,0]=4 5376 B13R1.1807 CCC(=O)c1cc(c(cc1O)F)F 1458a_100012182723_100000210202 [0,2,0,0,0,0|2,0,0]=4 5377 B13R1.1807 CCC(=O)c1cc(c(cc1O)O)Br 1458a_100009813906_100000210202 [0,2,0,0,0,0|2,0,0]=4 5378 B13R1.1807 CNC(=O)c1cc(c(cc1Br)C)F 11a_106832991635_200012355688 [0,2,0,0,0,0|2,0,0]=4 5379 B13R1.1807 CNC(=O)c1cc(c(cc1Br)C)F 1626a_100102657272_200012355688 [0,2,0,0,0,0|2,0,0]=4 5380 B13R1.1807 CNC(=O)c1cc(c(cc1Br)C)F 240690a_100102657272_200012355688 [0,2,0,0,0,0|2,0,0]=4 5381 B13R1.1807 CNC(=O)c1cc(c(cc1Br)C)F 527a_100102657272_200012355688 [0,2,0,0,0,0|2,0,0]=4 5382 B13R1.1807 CNC(=O)c1cc(c(cc1Br)F)C 11a_106832991635_100010204433 [0,2,0,0,0,0|2,0,0]=4 5383 B13R1.1807 CNC(=O)c1cc(c(cc1Br)F)C 1626a_100102657272_100010204433 [0,2,0,0,0,0|2,0,0]=4 5384 B13R1.1807 CNC(=O)c1cc(c(cc1Br)F)C 240690a_100102657272_100010204433 [0,2,0,0,0,0|2,0,0]=4 5385 B13R1.1807 CNC(=O)c1cc(c(cc1Br)F)C 527a_100102657272_100010204433 [0,2,0,0,0,0|2,0,0]=4 5386 B13R1.1807 CNC(=O)c1cc(c(cc1Br)F)Cl 11a_106832991635_100012921620 [0,2,0,0,0,0|2,0,0]=4 5387 B13R1.1807 CNC(=O)c1cc(c(cc1Br)F)Cl 1626a_100102657272_100012921620 [0,2,0,0,0,0|2,0,0]=4 5388 B13R1.1807 CNC(=O)c1cc(c(cc1Br)F)Cl 240690a_100102657272_100012921620 [0,2,0,0,0,0|2,0,0]=4 5389 B13R1.1807 CNC(=O)c1cc(c(cc1Br)F)Cl 527a_100102657272_100012921620 [0,2,0,0,0,0|2,0,0]=4 5390 B13R1.1807 CNC(=O)c1cc(c(cc1Br)F)F 11a_106832991635_100000685074 [0,2,0,0,0,0|2,0,0]=4 5391 B13R1.1807 CNC(=O)c1cc(c(cc1Br)F)F 1626a_100102657272_100000685074 [0,2,0,0,0,0|2,0,0]=4 5392 B13R1.1807 CNC(=O)c1cc(c(cc1Br)F)F 240690a_100102657272_100000685074 [0,2,0,0,0,0|2,0,0]=4 5393 B13R1.1807 CNC(=O)c1cc(c(cc1Br)F)F 527a_100102657272_100000685074 [0,2,0,0,0,0|2,0,0]=4 5394 B13R1.1807 CNC(=O)c1cc(c(cc1C)Br)C 11a_106832991635_100000695896 [0,2,0,0,0,0|2,0,0]=4 5395 B13R1.1807 CNC(=O)c1cc(c(cc1C)Br)C 1626a_100102657272_100000695896 [0,2,0,0,0,0|2,0,0]=4 5396 B13R1.1807 CNC(=O)c1cc(c(cc1C)Br)C 240690a_100102657272_100000695896 [0,2,0,0,0,0|2,0,0]=4 5397 B13R1.1807 CNC(=O)c1cc(c(cc1C)Br)C 527a_100102657272_100000695896 [0,2,0,0,0,0|2,0,0]=4 5398 B13R1.1807 CNC(=O)c1cc(c(cc1C)Br)F 11a_106832991635_100012344525 [0,2,0,0,0,0|2,0,0]=4 5399 B13R1.1807 CNC(=O)c1cc(c(cc1C)Br)F 1626a_100102657272_100012344525 [0,2,0,0,0,0|2,0,0]=4 5400 B13R1.1807 CNC(=O)c1cc(c(cc1C)Br)F 240690a_100102657272_100012344525 [0,2,0,0,0,0|2,0,0]=4 5401 B13R1.1807 CNC(=O)c1cc(c(cc1C)Br)F 527a_100102657272_100012344525 [0,2,0,0,0,0|2,0,0]=4 5402 B13R1.1807 CNC(=O)c1cc(c(cc1C)C)Br 11a_106832991635_100012920494 [0,2,0,0,0,0|2,0,0]=4 5403 B13R1.1807 CNC(=O)c1cc(c(cc1C)C)Br 1626a_100102657272_100012920494 [0,2,0,0,0,0|2,0,0]=4 5404 B13R1.1807 CNC(=O)c1cc(c(cc1C)C)Br 240690a_100102657272_100012920494 [0,2,0,0,0,0|2,0,0]=4 5405 B13R1.1807 CNC(=O)c1cc(c(cc1C)C)Br 527a_100102657272_100012920494 [0,2,0,0,0,0|2,0,0]=4 5406 B13R1.1807 CNC(=O)c1cc(c(cc1C)C)C 11a_106832991635_100011216168 [0,2,0,0,0,0|2,0,0]=4 5407 B13R1.1807 CNC(=O)c1cc(c(cc1C)C)C 1626a_100102657272_100011216168 [0,2,0,0,0,0|2,0,0]=4 5408 B13R1.1807 CNC(=O)c1cc(c(cc1C)C)C 240690a_100102657272_100011216168 [0,2,0,0,0,0|2,0,0]=4 5409 B13R1.1807 CNC(=O)c1cc(c(cc1C)C)C 527a_100102657272_100011216168 [0,2,0,0,0,0|2,0,0]=4 5410 B13R1.1807 CNC(=O)c1cc(c(cc1C)C)I 11a_106832991635_100000723791 [0,2,0,0,0,0|2,0,0]=4 5411 B13R1.1807 CNC(=O)c1cc(c(cc1C)C)I 1626a_100102657272_100000723791 [0,2,0,0,0,0|2,0,0]=4 5412 B13R1.1807 CNC(=O)c1cc(c(cc1C)C)I 240690a_100102657272_100000723791 [0,2,0,0,0,0|2,0,0]=4 5413 B13R1.1807 CNC(=O)c1cc(c(cc1C)C)I 527a_100102657272_100000723791 [0,2,0,0,0,0|2,0,0]=4 5414 B13R1.1807 CNC(=O)c1cc(c(cc1C)Cl)Cl 11a_106832991635_100010439669 [0,2,0,0,0,0|2,0,0]=4 5415 B13R1.1807 CNC(=O)c1cc(c(cc1C)Cl)Cl 1626a_100102657272_100010439669 [0,2,0,0,0,0|2,0,0]=4 5416 B13R1.1807 CNC(=O)c1cc(c(cc1C)Cl)Cl 240690a_100102657272_100010439669 [0,2,0,0,0,0|2,0,0]=4 5417 B13R1.1807 CNC(=O)c1cc(c(cc1C)Cl)Cl 527a_100102657272_100010439669 [0,2,0,0,0,0|2,0,0]=4 5418 B13R1.1807 CNC(=O)c1cc(c(cc1C)Cl)F 11a_106832991635_200010768543 [0,2,0,0,0,0|2,0,0]=4 5419 B13R1.1807 CNC(=O)c1cc(c(cc1C)Cl)F 1626a_100102657272_200010768543 [0,2,0,0,0,0|2,0,0]=4 5420 B13R1.1807 CNC(=O)c1cc(c(cc1C)Cl)F 240690a_100102657272_200010768543 [0,2,0,0,0,0|2,0,0]=4 5421 B13R1.1807 CNC(=O)c1cc(c(cc1C)Cl)F 527a_100102657272_200010768543 [0,2,0,0,0,0|2,0,0]=4 5422 B13R1.1807 CNC(=O)c1cc(c(cc1C)F)Br 11a_106832991635_100000724332 [0,2,0,0,0,0|2,0,0]=4 5423 B13R1.1807 CNC(=O)c1cc(c(cc1C)F)Br 1626a_100102657272_100000724332 [0,2,0,0,0,0|2,0,0]=4 5424 B13R1.1807 CNC(=O)c1cc(c(cc1C)F)Br 240690a_100102657272_100000724332 [0,2,0,0,0,0|2,0,0]=4 5425 B13R1.1807 CNC(=O)c1cc(c(cc1C)F)Br 527a_100102657272_100000724332 [0,2,0,0,0,0|2,0,0]=4 5426 B13R1.1807 CNC(=O)c1cc(c(cc1C)F)F 11a_106832991635_100000062099 [0,2,0,0,0,0|2,0,0]=4 5427 B13R1.1807 CNC(=O)c1cc(c(cc1C)F)F 1626a_100102657272_100000062099 [0,2,0,0,0,0|2,0,0]=4 5428 B13R1.1807 CNC(=O)c1cc(c(cc1C)F)F 240690a_100102657272_100000062099 [0,2,0,0,0,0|2,0,0]=4 5429 B13R1.1807 CNC(=O)c1cc(c(cc1C)F)F 527a_100102657272_100000062099 [0,2,0,0,0,0|2,0,0]=4 5430 B13R1.1807 CNC(=O)c1cc(c(cc1C)F)I 11a_106832991635_100013328184 [0,2,0,0,0,0|2,0,0]=4 5431 B13R1.1807 CNC(=O)c1cc(c(cc1C)F)I 1626a_100102657272_100013328184 [0,2,0,0,0,0|2,0,0]=4 5432 B13R1.1807 CNC(=O)c1cc(c(cc1C)F)I 240690a_100102657272_100013328184 [0,2,0,0,0,0|2,0,0]=4 5433 B13R1.1807 CNC(=O)c1cc(c(cc1C)F)I 527a_100102657272_100013328184 [0,2,0,0,0,0|2,0,0]=4 5434 B13R1.1807 CNC(=O)c1cc(c(cc1Cl)Br)Cl 11a_106832991635_100000246132 [0,2,0,0,0,0|2,0,0]=4 5435 B13R1.1807 CNC(=O)c1cc(c(cc1Cl)Br)Cl 1626a_100102657272_100000246132 [0,2,0,0,0,0|2,0,0]=4 5436 B13R1.1807 CNC(=O)c1cc(c(cc1Cl)Br)Cl 240690a_100102657272_100000246132 [0,2,0,0,0,0|2,0,0]=4 5437 B13R1.1807 CNC(=O)c1cc(c(cc1Cl)Br)Cl 527a_100102657272_100000246132 [0,2,0,0,0,0|2,0,0]=4 5438 B13R1.1807 CNC(=O)c1cc(c(cc1Cl)Br)F 11a_106832991635_100000724438 [0,2,0,0,0,0|2,0,0]=4 5439 B13R1.1807 CNC(=O)c1cc(c(cc1Cl)Br)F 1626a_100102657272_100000724438 [0,2,0,0,0,0|2,0,0]=4 5440 B13R1.1807 CNC(=O)c1cc(c(cc1Cl)Br)F 240690a_100102657272_100000724438 [0,2,0,0,0,0|2,0,0]=4 5441 B13R1.1807 CNC(=O)c1cc(c(cc1Cl)Br)F 527a_100102657272_100000724438 [0,2,0,0,0,0|2,0,0]=4 5442 B13R1.1807 CNC(=O)c1cc(c(cc1Cl)C)Cl 11a_106832991635_100013033594 [0,2,0,0,0,0|2,0,0]=4 5443 B13R1.1807 CNC(=O)c1cc(c(cc1Cl)C)Cl 1626a_100102657272_100013033594 [0,2,0,0,0,0|2,0,0]=4 5444 B13R1.1807 CNC(=O)c1cc(c(cc1Cl)C)Cl 240690a_100102657272_100013033594 [0,2,0,0,0,0|2,0,0]=4 5445 B13R1.1807 CNC(=O)c1cc(c(cc1Cl)C)Cl 527a_100102657272_100013033594 [0,2,0,0,0,0|2,0,0]=4 5446 B13R1.1807 CNC(=O)c1cc(c(cc1Cl)C)F 11a_106832991635_100009857485 [0,2,0,0,0,0|2,0,0]=4 5447 B13R1.1807 CNC(=O)c1cc(c(cc1Cl)C)F 1626a_100102657272_100009857485 [0,2,0,0,0,0|2,0,0]=4 5448 B13R1.1807 CNC(=O)c1cc(c(cc1Cl)C)F 240690a_100102657272_100009857485 [0,2,0,0,0,0|2,0,0]=4 5449 B13R1.1807 CNC(=O)c1cc(c(cc1Cl)C)F 527a_100102657272_100009857485 [0,2,0,0,0,0|2,0,0]=4 5450 B13R1.1807 CNC(=O)c1cc(c(cc1Cl)Cl)Cl 11a_106832991635_100011934218 [0,2,0,0,0,0|2,0,0]=4 5451 B13R1.1807 CNC(=O)c1cc(c(cc1Cl)Cl)Cl 1626a_100102657272_100011934218 [0,2,0,0,0,0|2,0,0]=4 5452 B13R1.1807 CNC(=O)c1cc(c(cc1Cl)Cl)Cl 240690a_100102657272_100011934218 [0,2,0,0,0,0|2,0,0]=4 5453 B13R1.1807 CNC(=O)c1cc(c(cc1Cl)Cl)Cl 527a_100102657272_100011934218 [0,2,0,0,0,0|2,0,0]=4 5454 B13R1.1807 CNC(=O)c1cc(c(cc1Cl)Cl)F 11a_106832991635_100000212284 [0,2,0,0,0,0|2,0,0]=4 5455 B13R1.1807 CNC(=O)c1cc(c(cc1Cl)Cl)F 1626a_100102657272_100000212284 [0,2,0,0,0,0|2,0,0]=4 5456 B13R1.1807 CNC(=O)c1cc(c(cc1Cl)Cl)F 240690a_100102657272_100000212284 [0,2,0,0,0,0|2,0,0]=4 5457 B13R1.1807 CNC(=O)c1cc(c(cc1Cl)Cl)F 527a_100102657272_100000212284 [0,2,0,0,0,0|2,0,0]=4 5458 B13R1.1807 CNC(=O)c1cc(c(cc1Cl)F)C 11a_106832991635_100000687843 [0,2,0,0,0,0|2,0,0]=4 5459 B13R1.1807 CNC(=O)c1cc(c(cc1Cl)F)C 1626a_100102657272_100000687843 [0,2,0,0,0,0|2,0,0]=4 5460 B13R1.1807 CNC(=O)c1cc(c(cc1Cl)F)C 240690a_100102657272_100000687843 [0,2,0,0,0,0|2,0,0]=4 5461 B13R1.1807 CNC(=O)c1cc(c(cc1Cl)F)C 527a_100102657272_100000687843 [0,2,0,0,0,0|2,0,0]=4 5462 B13R1.1807 CNC(=O)c1cc(c(cc1Cl)F)F 11a_106832991635_100025704182 [0,2,0,0,0,0|2,0,0]=4 5463 B13R1.1807 CNC(=O)c1cc(c(cc1Cl)F)F 1626a_100102657272_100025704182 [0,2,0,0,0,0|2,0,0]=4 5464 B13R1.1807 CNC(=O)c1cc(c(cc1Cl)F)F 240690a_100102657272_100025704182 [0,2,0,0,0,0|2,0,0]=4 5465 B13R1.1807 CNC(=O)c1cc(c(cc1Cl)F)F 527a_100102657272_100025704182 [0,2,0,0,0,0|2,0,0]=4 5466 B13R1.1807 CNC(=O)c1cc(c(cc1Cl)F)I 11a_106832991635_100012920486 [0,2,0,0,0,0|2,0,0]=4 5467 B13R1.1807 CNC(=O)c1cc(c(cc1Cl)F)I 1626a_100102657272_100012920486 [0,2,0,0,0,0|2,0,0]=4 5468 B13R1.1807 CNC(=O)c1cc(c(cc1Cl)F)I 240690a_100102657272_100012920486 [0,2,0,0,0,0|2,0,0]=4 5469 B13R1.1807 CNC(=O)c1cc(c(cc1Cl)F)I 527a_100102657272_100012920486 [0,2,0,0,0,0|2,0,0]=4 5470 B13R1.1807 CNC(=O)c1cc(c(cc1F)Br)Br 11a_106832991635_200011217225 [0,2,0,0,0,0|2,0,0]=4 5471 B13R1.1807 CNC(=O)c1cc(c(cc1F)Br)Br 1626a_100102657272_200011217225 [0,2,0,0,0,0|2,0,0]=4 5472 B13R1.1807 CNC(=O)c1cc(c(cc1F)Br)Br 240690a_100102657272_200011217225 [0,2,0,0,0,0|2,0,0]=4 5473 B13R1.1807 CNC(=O)c1cc(c(cc1F)Br)Br 527a_100102657272_200011217225 [0,2,0,0,0,0|2,0,0]=4 5474 B13R1.1807 CNC(=O)c1cc(c(cc1F)Br)C 11a_106832991635_100012354683 [0,2,0,0,0,0|2,0,0]=4 5475 B13R1.1807 CNC(=O)c1cc(c(cc1F)Br)C 1626a_100102657272_100012354683 [0,2,0,0,0,0|2,0,0]=4 5476 B13R1.1807 CNC(=O)c1cc(c(cc1F)Br)C 240690a_100102657272_100012354683 [0,2,0,0,0,0|2,0,0]=4 5477 B13R1.1807 CNC(=O)c1cc(c(cc1F)Br)C 527a_100102657272_100012354683 [0,2,0,0,0,0|2,0,0]=4 5478 B13R1.1807 CNC(=O)c1cc(c(cc1F)Br)Cl 11a_106832991635_100012347732 [0,2,0,0,0,0|2,0,0]=4 5479 B13R1.1807 CNC(=O)c1cc(c(cc1F)Br)Cl 1626a_100102657272_100012347732 [0,2,0,0,0,0|2,0,0]=4 5480 B13R1.1807 CNC(=O)c1cc(c(cc1F)Br)Cl 240690a_100102657272_100012347732 [0,2,0,0,0,0|2,0,0]=4 5481 B13R1.1807 CNC(=O)c1cc(c(cc1F)Br)Cl 527a_100102657272_100012347732 [0,2,0,0,0,0|2,0,0]=4 5482 B13R1.1807 CNC(=O)c1cc(c(cc1F)Br)F 11a_106832991635_100012024349 [0,2,0,0,0,0|2,0,0]=4 5483 B13R1.1807 CNC(=O)c1cc(c(cc1F)Br)F 1626a_100102657272_100012024349 [0,2,0,0,0,0|2,0,0]=4 5484 B13R1.1807 CNC(=O)c1cc(c(cc1F)Br)F 240690a_100102657272_100012024349 [0,2,0,0,0,0|2,0,0]=4 5485 B13R1.1807 CNC(=O)c1cc(c(cc1F)Br)F 527a_100102657272_100012024349 [0,2,0,0,0,0|2,0,0]=4 5486 B13R1.1807 CNC(=O)c1cc(c(cc1F)C)Br 11a_106832991635_100012920545 [0,2,0,0,0,0|2,0,0]=4 5487 B13R1.1807 CNC(=O)c1cc(c(cc1F)C)Br 1626a_100102657272_100012920545 [0,2,0,0,0,0|2,0,0]=4 5488 B13R1.1807 CNC(=O)c1cc(c(cc1F)C)Br 240690a_100102657272_100012920545 [0,2,0,0,0,0|2,0,0]=4 5489 B13R1.1807 CNC(=O)c1cc(c(cc1F)C)Br 527a_100102657272_100012920545 [0,2,0,0,0,0|2,0,0]=4 5490 B13R1.1807 CNC(=O)c1cc(c(cc1F)C)Cl 11a_106832991635_100012180961 [0,2,0,0,0,0|2,0,0]=4 5491 B13R1.1807 CNC(=O)c1cc(c(cc1F)C)Cl 1626a_100102657272_100012180961 [0,2,0,0,0,0|2,0,0]=4 5492 B13R1.1807 CNC(=O)c1cc(c(cc1F)C)Cl 240690a_100102657272_100012180961 [0,2,0,0,0,0|2,0,0]=4 5493 B13R1.1807 CNC(=O)c1cc(c(cc1F)C)Cl 527a_100102657272_100012180961 [0,2,0,0,0,0|2,0,0]=4 5494 B13R1.1807 CNC(=O)c1cc(c(cc1F)C)F 11a_106832991635_100000686409 [0,2,0,0,0,0|2,0,0]=4 5495 B13R1.1807 CNC(=O)c1cc(c(cc1F)C)F 1626a_100102657272_100000686409 [0,2,0,0,0,0|2,0,0]=4 5496 B13R1.1807 CNC(=O)c1cc(c(cc1F)C)F 240690a_100102657272_100000686409 [0,2,0,0,0,0|2,0,0]=4 5497 B13R1.1807 CNC(=O)c1cc(c(cc1F)C)F 527a_100102657272_100000686409 [0,2,0,0,0,0|2,0,0]=4 5498 B13R1.1807 CNC(=O)c1cc(c(cc1F)C)O 240690a_100102657272_100009839767 [0,2,0,0,0,0|2,0,0]=4 5499 B13R1.1807 CNC(=O)c1cc(c(cc1F)Cl)Br 11a_106832991635_100011217226 [0,2,0,0,0,0|2,0,0]=4 5500 B13R1.1807 CNC(=O)c1cc(c(cc1F)Cl)Br 1626a_100102657272_100011217226 [0,2,0,0,0,0|2,0,0]=4 5501 B13R1.1807 CNC(=O)c1cc(c(cc1F)Cl)Br 240690a_100102657272_100011217226 [0,2,0,0,0,0|2,0,0]=4 5502 B13R1.1807 CNC(=O)c1cc(c(cc1F)Cl)Br 527a_100102657272_100011217226 [0,2,0,0,0,0|2,0,0]=4 5503 B13R1.1807 CNC(=O)c1cc(c(cc1F)Cl)Cl 11a_106832991635_100011217469 [0,2,0,0,0,0|2,0,0]=4 5504 B13R1.1807 CNC(=O)c1cc(c(cc1F)Cl)Cl 1626a_100102657272_100011217469 [0,2,0,0,0,0|2,0,0]=4 5505 B13R1.1807 CNC(=O)c1cc(c(cc1F)Cl)Cl 240690a_100102657272_100011217469 [0,2,0,0,0,0|2,0,0]=4 5506 B13R1.1807 CNC(=O)c1cc(c(cc1F)Cl)Cl 527a_100102657272_100011217469 [0,2,0,0,0,0|2,0,0]=4 5507 B13R1.1807 CNC(=O)c1cc(c(cc1F)Cl)F 11a_106832991635_100000690020 [0,2,0,0,0,0|2,0,0]=4 5508 B13R1.1807 CNC(=O)c1cc(c(cc1F)Cl)F 1626a_100102657272_100000690020 [0,2,0,0,0,0|2,0,0]=4 5509 B13R1.1807 CNC(=O)c1cc(c(cc1F)Cl)F 240690a_100102657272_100000690020 [0,2,0,0,0,0|2,0,0]=4 5510 B13R1.1807 CNC(=O)c1cc(c(cc1F)Cl)F 527a_100102657272_100000690020 [0,2,0,0,0,0|2,0,0]=4 5511 B13R1.1807 CNC(=O)c1cc(c(cc1F)Cl)I 11a_106832991635_100012920488 [0,2,0,0,0,0|2,0,0]=4 5512 B13R1.1807 CNC(=O)c1cc(c(cc1F)Cl)I 1626a_100102657272_100012920488 [0,2,0,0,0,0|2,0,0]=4 5513 B13R1.1807 CNC(=O)c1cc(c(cc1F)Cl)I 240690a_100102657272_100012920488 [0,2,0,0,0,0|2,0,0]=4 5514 B13R1.1807 CNC(=O)c1cc(c(cc1F)Cl)I 527a_100102657272_100012920488 [0,2,0,0,0,0|2,0,0]=4 5515 B13R1.1807 CNC(=O)c1cc(c(cc1F)F)Br 11a_106832991635_100000718434 [0,2,0,0,0,0|2,0,0]=4 5516 B13R1.1807 CNC(=O)c1cc(c(cc1F)F)Br 1626a_100102657272_100000718434 [0,2,0,0,0,0|2,0,0]=4 5517 B13R1.1807 CNC(=O)c1cc(c(cc1F)F)Br 240690a_100102657272_100000718434 [0,2,0,0,0,0|2,0,0]=4 5518 B13R1.1807 CNC(=O)c1cc(c(cc1F)F)Br 527a_100102657272_100000718434 [0,2,0,0,0,0|2,0,0]=4 5519 B13R1.1807 CNC(=O)c1cc(c(cc1F)F)C 11a_106832991635_100000767126 [0,2,0,0,0,0|2,0,0]=4 5520 B13R1.1807 CNC(=O)c1cc(c(cc1F)F)C 1626a_100102657272_100000767126 [0,2,0,0,0,0|2,0,0]=4 5521 B13R1.1807 CNC(=O)c1cc(c(cc1F)F)C 240690a_100102657272_100000767126 [0,2,0,0,0,0|2,0,0]=4 5522 B13R1.1807 CNC(=O)c1cc(c(cc1F)F)C 527a_100102657272_100000767126 [0,2,0,0,0,0|2,0,0]=4 5523 B13R1.1807 CNC(=O)c1cc(c(cc1F)F)Cl 11a_106832991635_100011997751 [0,2,0,0,0,0|2,0,0]=4 5524 B13R1.1807 CNC(=O)c1cc(c(cc1F)F)Cl 1626a_100102657272_100011997751 [0,2,0,0,0,0|2,0,0]=4 5525 B13R1.1807 CNC(=O)c1cc(c(cc1F)F)Cl 240690a_100102657272_100011997751 [0,2,0,0,0,0|2,0,0]=4 5526 B13R1.1807 CNC(=O)c1cc(c(cc1F)F)Cl 527a_100102657272_100011997751 [0,2,0,0,0,0|2,0,0]=4 5527 B13R1.1807 CNC(=O)c1cc(c(cc1F)F)F 11a_106832991635_100000687535 [0,2,0,0,0,0|2,0,0]=4 5528 B13R1.1807 CNC(=O)c1cc(c(cc1F)F)F 1626a_100102657272_100000687535 [0,2,0,0,0,0|2,0,0]=4 5529 B13R1.1807 CNC(=O)c1cc(c(cc1F)F)F 240690a_100102657272_100000687535 [0,2,0,0,0,0|2,0,0]=4 5530 B13R1.1807 CNC(=O)c1cc(c(cc1F)F)F 527a_100102657272_100000687535 [0,2,0,0,0,0|2,0,0]=4 5531 B13R1.1807 CNC(=O)c1cc(c(cc1F)F)I 11a_106832991635_100000691139 [0,2,0,0,0,0|2,0,0]=4 5532 B13R1.1807 CNC(=O)c1cc(c(cc1F)F)I 1626a_100102657272_100000691139 [0,2,0,0,0,0|2,0,0]=4 5533 B13R1.1807 CNC(=O)c1cc(c(cc1F)F)I 240690a_100102657272_100000691139 [0,2,0,0,0,0|2,0,0]=4 5534 B13R1.1807 CNC(=O)c1cc(c(cc1F)F)I 527a_100102657272_100000691139 [0,2,0,0,0,0|2,0,0]=4 5535 B13R1.1807 CNC(=O)c1cc(c(cc1F)O)Cl 240690a_100102657272_200009924051 [0,2,0,0,0,0|2,0,0]=4 5536 B13R1.1807 CNC(=O)c1cc(c(cc1F)O)Cl 527a_100102657272_200009924051 [0,2,0,0,0,0|2,0,0]=4 5537 B13R1.1807 CNC(=O)c1cc(c(cc1F)O)F 271570a_203496583355_200107972064 [0,2,0,0,0,0|2,0,0]=4 5538 B13R1.1807 CNC(=O)c1cc(c(cc1I)C)C 11a_106832991635_100010184404 [0,2,0,0,0,0|2,0,0]=4 5539 B13R1.1807 CNC(=O)c1cc(c(cc1I)C)C 1626a_100102657272_100010184404 [0,2,0,0,0,0|2,0,0]=4 5540 B13R1.1807 CNC(=O)c1cc(c(cc1I)C)C 240690a_100102657272_100010184404 [0,2,0,0,0,0|2,0,0]=4 5541 B13R1.1807 CNC(=O)c1cc(c(cc1I)C)C 527a_100102657272_100010184404 [0,2,0,0,0,0|2,0,0]=4 5542 B13R1.1807 CNC(=O)c1cc(c(cc1I)F)F 11a_106832991635_100000688017 [0,2,0,0,0,0|2,0,0]=4 5543 B13R1.1807 CNC(=O)c1cc(c(cc1I)F)F 1626a_100102657272_100000688017 [0,2,0,0,0,0|2,0,0]=4 5544 B13R1.1807 CNC(=O)c1cc(c(cc1I)F)F 240690a_100102657272_100000688017 [0,2,0,0,0,0|2,0,0]=4 5545 B13R1.1807 CNC(=O)c1cc(c(cc1I)F)F 527a_100102657272_100000688017 [0,2,0,0,0,0|2,0,0]=4 5546 B13R1.1807 CNC(=O)c1cc(c(cc1O)Br)F 240690a_100102657272_100010827371 [0,2,0,0,0,0|1,0,0]=3 5547 B13R1.1807 CNC(=O)c1cc(c(cc1O)Br)F 527a_100102657272_100010827371 [0,2,0,0,0,0|1,0,0]=3 5548 B13R1.1807 CNC(=O)c1cc(c(cc1O)C)Br 240690a_100102657272_100010233826 [0,2,0,0,0,0|1,0,0]=3 5549 B13R1.1807 CNC(=O)c1cc(c(cc1O)C)Br 527a_100102657272_100010233826 [0,2,0,0,0,0|1,0,0]=3 5550 B13R1.1807 CNC(=O)c1cc(c(cc1O)C)C 240690a_100102657272_100009831561 [0,2,0,0,0,0|1,0,0]=3 5551 B13R1.1807 CNC(=O)c1cc(c(cc1O)C)C 527a_100102657272_100009831561 [0,2,0,0,0,0|1,0,0]=3 5552 B13R1.1807 CNC(=O)c1cc(c(cc1O)Cl)Br 240690a_100102657272_200009814723 [0,2,0,0,0,0|1,0,0]=3 5553 B13R1.1807 CNC(=O)c1cc(c(cc1O)Cl)Br 527a_100102657272_200009814723 [0,2,0,0,0,0|1,0,0]=3 5554 B13R1.1807 CNC(=O)c1cc(c(cc1O)F)Br 240690a_100102657272_100010188153 [0,2,0,0,0,0|1,0,0]=3 5555 B13R1.1807 CNC(=O)c1cc(c(cc1O)F)Br 527a_100102657272_100010188153 [0,2,0,0,0,0|1,0,0]=3 5556 B13R1.1807 CNC(=O)c1cc(c(cc1O)F)Cl 240690a_100102657272_100009910333 [0,2,0,0,0,0|1,0,0]=3 5557 B13R1.1807 CNC(=O)c1cc(c(cc1O)F)Cl 527a_100102657272_100009910333 [0,2,0,0,0,0|1,0,0]=3 5558 B13R1.1807 CNC(=O)c1cc(c(cc1O)F)F 240690a_100102657272_100012182723 [0,2,0,0,0,0|1,0,0]=3 5559 B13R1.1807 CNC(=O)c1cc(c(cc1O)F)F 527a_100102657272_100012182723 [0,2,0,0,0,0|1,0,0]=3 5560 B13R1.1807 CNC(=O)c1cc(c(cc1O)O)Br 527a_100102657272_100009813906 [0,2,0,0,0,0|1,0,0]=3 5561 B13R1.1807 COC(=O)c1cc(c(cc1O)Br)F 271570a_203496583355_100014686389 [0,2,0,0,0,0|2,0,0]=4 5562 B13R1.1807 COC(=O)c1cc(c(cc1O)C)F 271570a_203496583355_100015763395 [0,2,0,0,0,0|2,0,0]=4 5563 B13R1.1807 COC(=O)c1cc(c(cc1O)C)N 271570a_203496583355_100000730709 [0,2,0,0,0,0|2,0,0]=4 5564 B13R1.1807 COC(=O)c1cc(c(cc1O)C)O 271570a_203496583355_100010233952 [0,2,0,0,0,0|2,0,0]=4 5565 B13R1.1807 COC(=O)c1cc(c(cc1O)Cl)Br 271570a_203496583355_200012920379 [0,2,0,0,0,0|2,0,0]=4 5566 B13R1.1807 COC(=O)c1cc(c(cc1O)F)C 271570a_203496583355_100015451887 [0,2,0,0,0,0|2,0,0]=4 5567 B13R1.1807 COC(=O)c1cc(c(cc1O)F)F 271570a_203496583355_100010195689 [0,2,0,0,0,0|2,0,0]=4 5568 B13R1.1807 COC(=O)c1cc(c(cc1O)F)O 271570a_203496583355_100010371811 [0,2,0,0,0,0|2,0,0]=4 5569 B13R1.1807 COC(=O)c1cc(c(cc1O)N)F 271570a_203496583355_100010764352 [0,2,0,0,0,0|2,0,0]=4 5570 B13R1.1807 COC(=O)c1cc(c(cc1O)N)O 271570a_203496583355_100010075205 [0,2,0,0,0,0|2,0,0]=4 5571 B13R1.1807 COC(=O)c1cc(c(cc1O)O)F 271570a_203496583355_100010760826 [0,2,0,0,0,0|2,0,0]=4 5572 B13R1.1807 Cc1cc(c(cc1Br)C(=O)CF)O 1458a_100010233826_100015361967 [0,2,0,0,0,0|2,0,0]=4 5573 B13R1.1807 Cc1cc(c(cc1C)C(=O)CF)O 1458a_100009831561_100015361967 [0,2,0,0,0,0|2,0,0]=4 5574 B13R1.1807 NNC(=O)c1cc(c(cc1F)F)O 271570a_203496583355_100135386025 [0,2,0,0,0,0|2,0,0]=4 5575 B13R1.1807 O=C(CF)c1cc(c(cc1O)Br)F 1458a_100010827371_100015361967 [0,2,0,0,0,0|2,0,0]=4 5576 B13R1.1807 O=C(CF)c1cc(c(cc1O)Cl)Br 1458a_200009814723_100015361967 [0,2,0,0,0,0|2,0,0]=4 5577 B13R1.1807 O=C(CF)c1cc(c(cc1O)F)Br 1458a_100010188153_100015361967 [0,2,0,0,0,0|2,0,0]=4 5578 B13R1.1807 O=C(CF)c1cc(c(cc1O)F)Cl 1458a_100009910333_100015361967 [0,2,0,0,0,0|2,0,0]=4 5579 B13R1.1807 O=C(CF)c1cc(c(cc1O)F)F 1458a_100012182723_100015361967 [0,2,0,0,0,0|2,0,0]=4 5580 B13R1.1807 O=C(CF)c1cc(c(cc1O)O)Br 1458a_100009813906_100015361967 [0,2,0,0,0,0|2,0,0]=4 5581 B13R1.2431 C=Cc1ccc(c(c1)C(=O)CC)O 271570a_100011290941_100000183607 [0,2,0,0,0,0|2,0,0]=4 5582 B13R1.2431 C=Cc1ccc(c(c1)C(=O)NC)F 271570a_100011290941_100000155058 [0,2,0,0,0,0|2,0,0]=4 5583 B13R1.2431 C=Cc1ccc(c(c1)C(=O)NC)N 271570a_100011290941_100000690504 [0,2,0,0,0,0|2,0,0]=4 5584 B13R1.2431 C=Cc1ccc(c(c1)C(=O)NN)Br 271570a_100011290941_200011356971 [0,2,0,0,0,0|2,0,0]=4 5585 B13R1.2431 C=Cc1ccc(c(c1)C(=O)NN)Cl 271570a_100011290941_200000049959 [0,2,0,0,0,0|2,0,0]=4 5586 B13R1.2431 C=Cc1ccc(c(c1)C(=O)NN)O 271570a_100011290941_100000193350 [0,2,0,0,0,0|1,0,0]=3 5587 B13R1.2431 C=Cc1ccc(c(c1)C(=O)OC)O 271570a_100011290941_100000149868 [0,2,0,0,0,0|2,0,0]=4 5588 B13R1.2431 CCC(=O)c1cc(ccc1O)C#N 1458a_100000719980_100000210202 [0,2,0,0,0,0|2,0,0]=4 5589 B13R1.2431 CCC(=O)c1cc(ccc1O)CC 1458a_200000748397_100000210202 [0,2,0,0,0,0|2,0,0]=4 5590 B13R1.2431 CCC(=O)c1cc(ccc1O)CO 1458a_200000045694_100000210202 [0,2,0,0,0,0|2,0,0]=4 5591 B13R1.2431 CCC(=O)c1cc(ccc1O)OC 1458a_100000211986_100000210202 [0,2,0,0,0,0|2,0,0]=4 5592 B13R1.2431 CCc1ccc(c(c1)C(=O)CF)O 1458a_200000748397_100015361967 [0,2,0,0,0,0|2,0,0]=4 5593 B13R1.2431 CCc1ccc(c(c1)C(=O)NC)O 240690a_100102657272_200000748397 [0,2,0,0,0,0|1,0,0]=3 5594 B13R1.2431 CCc1ccc(c(c1)C(=O)NC)O 527a_100102657272_200000748397 [0,2,0,0,0,0|1,0,0]=3 5595 B13R1.2431 CNC(=O)c1cc(ccc1Br)C#N 11a_106832991635_100012361338 [0,2,0,0,0,0|2,0,0]=4 5596 B13R1.2431 CNC(=O)c1cc(ccc1Br)C#N 1626a_100102657272_100012361338 [0,2,0,0,0,0|2,0,0]=4 5597 B13R1.2431 CNC(=O)c1cc(ccc1Br)C#N 240690a_100102657272_100012361338 [0,2,0,0,0,0|2,0,0]=4 5598 B13R1.2431 CNC(=O)c1cc(ccc1Br)C#N 527a_100102657272_100012361338 [0,2,0,0,0,0|2,0,0]=4 5599 B13R1.2431 CNC(=O)c1cc(ccc1Br)CO 240690a_100102657272_100010259715 [0,2,0,0,0,0|2,0,0]=4 5600 B13R1.2431 CNC(=O)c1cc(ccc1Br)OC 11a_106832991635_100000211723 [0,2,0,0,0,0|2,0,0]=4 5601 B13R1.2431 CNC(=O)c1cc(ccc1Br)OC 1626a_100102657272_100000211723 [0,2,0,0,0,0|2,0,0]=4 5602 B13R1.2431 CNC(=O)c1cc(ccc1Br)OC 240690a_100102657272_100000211723 [0,2,0,0,0,0|2,0,0]=4 5603 B13R1.2431 CNC(=O)c1cc(ccc1Br)OC 527a_100102657272_100000211723 [0,2,0,0,0,0|2,0,0]=4 5604 B13R1.2431 CNC(=O)c1cc(ccc1C)C#N 11a_106832991635_200012187059 [0,2,0,0,0,0|2,0,0]=4 5605 B13R1.2431 CNC(=O)c1cc(ccc1C)C#N 1626a_100102657272_200012187059 [0,2,0,0,0,0|2,0,0]=4 5606 B13R1.2431 CNC(=O)c1cc(ccc1C)C#N 240690a_100102657272_200012187059 [0,2,0,0,0,0|2,0,0]=4 5607 B13R1.2431 CNC(=O)c1cc(ccc1C)C#N 527a_100102657272_200012187059 [0,2,0,0,0,0|2,0,0]=4 5608 B13R1.2431 CNC(=O)c1cc(ccc1C)OC 11a_106832991635_100011399813 [0,2,0,0,0,0|2,0,0]=4 5609 B13R1.2431 CNC(=O)c1cc(ccc1C)OC 1626a_100102657272_100011399813 [0,2,0,0,0,0|2,0,0]=4 5610 B13R1.2431 CNC(=O)c1cc(ccc1C)OC 240690a_100102657272_100011399813 [0,2,0,0,0,0|2,0,0]=4 5611 B13R1.2431 CNC(=O)c1cc(ccc1C)OC 527a_100102657272_100011399813 [0,2,0,0,0,0|2,0,0]=4 5612 B13R1.2431 CNC(=O)c1cc(ccc1Cl)C#N 11a_106832991635_100000729836 [0,2,0,0,0,0|2,0,0]=4 5613 B13R1.2431 CNC(=O)c1cc(ccc1Cl)C#N 1626a_100102657272_100000729836 [0,2,0,0,0,0|2,0,0]=4 5614 B13R1.2431 CNC(=O)c1cc(ccc1Cl)C#N 240690a_100102657272_100000729836 [0,2,0,0,0,0|2,0,0]=4 5615 B13R1.2431 CNC(=O)c1cc(ccc1Cl)C#N 527a_100102657272_100000729836 [0,2,0,0,0,0|2,0,0]=4 5616 B13R1.2431 CNC(=O)c1cc(ccc1Cl)NC 2230a_100000742274_200000210301 [0,2,0,0,0,0|2,0,0]=4 5617 B13R1.2431 CNC(=O)c1cc(ccc1Cl)NC 34a_100000742274_200000210301 [0,2,0,0,0,0|2,0,0]=4 5618 B13R1.2431 CNC(=O)c1cc(ccc1Cl)N[13CH3] 2230a_100000742274_200025704644 [0,2,0,0,0,0|2,0,0]=4 5619 B13R1.2431 CNC(=O)c1cc(ccc1Cl)N[13CH3] 34a_100000742274_200025704644 [0,2,0,0,0,0|2,0,0]=4 5620 B13R1.2431 CNC(=O)c1cc(ccc1Cl)OC 11a_106832991635_100000763818 [0,2,0,0,0,0|2,0,0]=4 5621 B13R1.2431 CNC(=O)c1cc(ccc1Cl)OC 1626a_100102657272_100000763818 [0,2,0,0,0,0|2,0,0]=4 5622 B13R1.2431 CNC(=O)c1cc(ccc1Cl)OC 240690a_100102657272_100000763818 [0,2,0,0,0,0|2,0,0]=4 5623 B13R1.2431 CNC(=O)c1cc(ccc1Cl)OC 527a_100102657272_100000763818 [0,2,0,0,0,0|2,0,0]=4 5624 B13R1.2431 CNC(=O)c1cc(ccc1Cl)SC 11a_106832991635_100000212015 [0,2,0,0,0,0|2,0,0]=4 5625 B13R1.2431 CNC(=O)c1cc(ccc1Cl)SC 1626a_100102657272_100000212015 [0,2,0,0,0,0|2,0,0]=4 5626 B13R1.2431 CNC(=O)c1cc(ccc1Cl)SC 240690a_100102657272_100000212015 [0,2,0,0,0,0|2,0,0]=4 5627 B13R1.2431 CNC(=O)c1cc(ccc1Cl)SC 527a_100102657272_100000212015 [0,2,0,0,0,0|2,0,0]=4 5628 B13R1.2431 CNC(=O)c1cc(ccc1F)C#N 11a_106832991635_100011218479 [0,2,0,0,0,0|2,0,0]=4 5629 B13R1.2431 CNC(=O)c1cc(ccc1F)C#N 1626a_100102657272_100011218479 [0,2,0,0,0,0|2,0,0]=4 5630 B13R1.2431 CNC(=O)c1cc(ccc1F)C#N 240690a_100102657272_100011218479 [0,2,0,0,0,0|2,0,0]=4 5631 B13R1.2431 CNC(=O)c1cc(ccc1F)NC 2230a_100000747870_200000210301 [0,2,0,0,0,0|2,0,0]=4 5632 B13R1.2431 CNC(=O)c1cc(ccc1F)NC 34a_100000747870_200000210301 [0,2,0,0,0,0|2,0,0]=4 5633 B13R1.2431 CNC(=O)c1cc(ccc1F)NC 7a_100000747870_200000210301 [0,2,0,0,0,0|2,0,0]=4 5634 B13R1.2431 CNC(=O)c1cc(ccc1F)N[13CH3] 2230a_100000747870_200025704644 [0,2,0,0,0,0|2,0,0]=4 5635 B13R1.2431 CNC(=O)c1cc(ccc1F)N[13CH3] 34a_100000747870_200025704644 [0,2,0,0,0,0|2,0,0]=4 5636 B13R1.2431 CNC(=O)c1cc(ccc1F)N[13CH3] 7a_100000747870_200025704644 [0,2,0,0,0,0|2,0,0]=4 5637 B13R1.2431 CNC(=O)c1cc(ccc1F)OC 11a_106832991635_100011217016 [0,2,0,0,0,0|2,0,0]=4 5638 B13R1.2431 CNC(=O)c1cc(ccc1F)OC 1626a_100102657272_100011217016 [0,2,0,0,0,0|2,0,0]=4 5639 B13R1.2431 CNC(=O)c1cc(ccc1F)OC 240690a_100102657272_100011217016 [0,2,0,0,0,0|2,0,0]=4 5640 B13R1.2431 CNC(=O)c1cc(ccc1F)OC 527a_100102657272_100011217016 [0,2,0,0,0,0|2,0,0]=4 5641 B13R1.2431 CNC(=O)c1cc(ccc1F)SC 11a_106832991635_200012183283 [0,2,0,0,0,0|2,0,0]=4 5642 B13R1.2431 CNC(=O)c1cc(ccc1F)SC 1626a_100102657272_200012183283 [0,2,0,0,0,0|2,0,0]=4 5643 B13R1.2431 CNC(=O)c1cc(ccc1F)SC 240690a_100102657272_200012183283 [0,2,0,0,0,0|2,0,0]=4 5644 B13R1.2431 CNC(=O)c1cc(ccc1F)SC 527a_100102657272_200012183283 [0,2,0,0,0,0|2,0,0]=4 5645 B13R1.2431 CNC(=O)c1cc(ccc1F)SC 62a_100000155058_200000210301 [0,2,0,0,0,0|2,0,0]=4 5646 B13R1.2431 CNC(=O)c1cc(ccc1F)SC 62a_200000210301_100000155058 [0,2,0,0,0,0|2,0,0]=4 5647 B13R1.2431 CNC(=O)c1cc(ccc1F)S[13CH3] 62a_100000155058_200025704644 [0,2,0,0,0,0|2,0,0]=4 5648 B13R1.2431 CNC(=O)c1cc(ccc1F)S[13CH3] 62a_200025704644_100000155058 [0,2,0,0,0,0|2,0,0]=4 5649 B13R1.2431 CNC(=O)c1cc(ccc1I)C#N 11a_106832991635_200010191847 [0,2,0,0,0,0|2,0,0]=4 5650 B13R1.2431 CNC(=O)c1cc(ccc1I)C#N 1626a_100102657272_200010191847 [0,2,0,0,0,0|2,0,0]=4 5651 B13R1.2431 CNC(=O)c1cc(ccc1I)C#N 240690a_100102657272_200010191847 [0,2,0,0,0,0|2,0,0]=4 5652 B13R1.2431 CNC(=O)c1cc(ccc1I)OC 11a_106832991635_100012339533 [0,2,0,0,0,0|2,0,0]=4 5653 B13R1.2431 CNC(=O)c1cc(ccc1I)OC 1626a_100102657272_100012339533 [0,2,0,0,0,0|2,0,0]=4 5654 B13R1.2431 CNC(=O)c1cc(ccc1I)OC 240690a_100102657272_100012339533 [0,2,0,0,0,0|2,0,0]=4 5655 B13R1.2431 CNC(=O)c1cc(ccc1I)OC 527a_100102657272_100012339533 [0,2,0,0,0,0|2,0,0]=4 5656 B13R1.2431 CNC(=O)c1cc(ccc1N)SC 62a_100000690504_200000210301 [0,2,0,0,0,0|2,0,0]=4 5657 B13R1.2431 CNC(=O)c1cc(ccc1N)S[13CH3] 62a_100000690504_200025704644 [0,2,0,0,0,0|2,0,0]=4 5658 B13R1.2431 CNC(=O)c1cc(ccc1O)C#N 240690a_100102657272_100000719980 [0,2,0,0,0,0|1,0,0]=3 5659 B13R1.2431 CNC(=O)c1cc(ccc1O)CO 240690a_100102657272_200000045694 [0,2,0,0,0,0|1,0,0]=3 5660 B13R1.2431 CNC(=O)c1cc(ccc1O)OC 240690a_100102657272_100000211986 [0,2,0,0,0,0|1,0,0]=3 5661 B13R1.2431 CNC(=O)c1cc(ccc1O)OC 527a_100102657272_100000211986 [0,2,0,0,0,0|1,0,0]=3 5662 B13R1.2431 COC(=O)c1cc(ccc1O)C#N 271570a_203496583355_100009817095 [0,2,0,0,0,0|2,0,0]=4 5663 B13R1.2431 COC(=O)c1cc(ccc1O)C=O 271570a_203496583355_100013328361 [0,2,0,0,0,0|2,0,0]=4 5664 B13R1.2431 COC(=O)c1cc(ccc1O)CN 271570a_203496583355_100016988414 [0,2,0,0,0,0|2,0,0]=4 5665 B13R1.2431 COC(=O)c1cc(ccc1O)OC 271570a_203496583355_100000151459 [0,2,0,0,0,0|2,0,0]=4 5666 B13R1.2431 COC(=O)c1cc(ccc1O)SC 62a_200000210301_100000149868 [0,2,0,0,0,0|2,0,0]=4 5667 B13R1.2431 COC(=O)c1cc(ccc1O)S[13CH3] 62a_200025704644_100000149868 [0,2,0,0,0,0|2,0,0]=4 5668 B13R1.2431 COc1ccc(c(c1)C(=O)CF)O 1458a_100000211986_100015361967 [0,2,0,0,0,0|2,0,0]=4 5669 B13R1.2431 COc1ccc(c(c1)C(=O)NN)O 271570a_203496583355_100000189949 [0,2,0,0,0,0|1,0,0]=3 5670 B13R1.2431 CSc1ccc(c(c1)C(=O)NN)Br 62a_200000210301_200011356971 [0,2,0,0,0,0|2,0,0]=4 5671 B13R1.2431 CSc1ccc(c(c1)C(=O)NN)Br 62a_200011356971_200000210301 [0,2,0,0,0,0|2,0,0]=4 5672 B13R1.2431 CSc1ccc(c(c1)C(=O)NN)Cl 62a_200000049959_200000210301 [0,2,0,0,0,0|2,0,0]=4 5673 B13R1.2431 CSc1ccc(c(c1)C(=O)NN)Cl 62a_200000210301_200000049959 [0,2,0,0,0,0|2,0,0]=4 5674 B13R1.2431 CSc1ccc(c(c1)C(=O)NN)O 62a_200000210301_100000193350 [0,2,0,0,0,0|1,0,0]=3 5675 B13R1.2431 N#Cc1ccc(c(c1)C(=O)CF)O 1458a_100000719980_100015361967 [0,2,0,0,0,0|2,0,0]=4 5676 B13R1.2431 O=C(CF)c1cc(ccc1O)CO 1458a_200000045694_100015361967 [0,2,0,0,0,0|2,0,0]=4 5677 B13R1.2431 [13CH3]Sc1ccc(c(c1)C(=O)NN)Br 62a_200011356971_200025704644 [0,2,0,0,0,0|2,0,0]=4 5678 B13R1.2431 [13CH3]Sc1ccc(c(c1)C(=O)NN)Br 62a_200025704644_200011356971 [0,2,0,0,0,0|2,0,0]=4 5679 B13R1.2431 [13CH3]Sc1ccc(c(c1)C(=O)NN)Cl 62a_200000049959_200025704644 [0,2,0,0,0,0|2,0,0]=4 5680 B13R1.2431 [13CH3]Sc1ccc(c(c1)C(=O)NN)Cl 62a_200025704644_200000049959 [0,2,0,0,0,0|2,0,0]=4 5681 B13R1.2431 [13CH3]Sc1ccc(c(c1)C(=O)NN)O 62a_200025704644_100000193350 [0,2,0,0,0,0|1,0,0]=3 5682 B13R1.95 C#Cc1ccc(c(c1)Cl)C(=O)NC 11a_106832991635_100103168756 [0,2,0,0,0,0|2,0,0]=4 5683 B13R1.95 C#Cc1ccc(c(c1)Cl)C(=O)NC 1626a_100102657272_100103168756 [0,2,0,0,0,0|2,0,0]=4 5684 B13R1.95 C#Cc1ccc(c(c1)Cl)C(=O)NC 240690a_100102657272_100103168756 [0,2,0,0,0,0|2,0,0]=4 5685 B13R1.95 C#Cc1ccc(c(c1)Cl)C(=O)NC 527a_100102657272_100103168756 [0,2,0,0,0,0|2,0,0]=4 5686 B13R1.95 C=Cc1ccc(c(c1)F)C(=O)NC 271570a_100011290941_100000233932 [0,2,0,0,0,0|2,0,0]=4 5687 B13R1.95 C=Cc1ccc(c(c1)O)C(=O)OC 271570a_100011290941_100000062286 [0,2,0,0,0,0|2,0,0]=4 5688 B13R1.95 CCC(=O)c1ccc(cc1O)OC 1458a_100000212123_100000210202 [0,2,0,0,0,0|2,0,0]=4 5689 B13R1.95 CCc1ccc(c(c1)F)C(=O)NC 11a_106832991635_200009867912 [0,2,0,0,0,0|2,0,0]=4 5690 B13R1.95 CCc1ccc(c(c1)F)C(=O)NC 1626a_100102657272_200009867912 [0,2,0,0,0,0|2,0,0]=4 5691 B13R1.95 CCc1ccc(c(c1)F)C(=O)NC 240690a_100102657272_200009867912 [0,2,0,0,0,0|2,0,0]=4 5692 B13R1.95 CCc1ccc(c(c1)F)C(=O)NC 527a_100102657272_200009867912 [0,2,0,0,0,0|2,0,0]=4 5693 B13R1.95 CNC(=O)c1ccc(cc1Br)C#N 11a_106832991635_100010244945 [0,2,0,0,0,0|2,0,0]=4 5694 B13R1.95 CNC(=O)c1ccc(cc1Br)C#N 1626a_100102657272_100010244945 [0,2,0,0,0,0|2,0,0]=4 5695 B13R1.95 CNC(=O)c1ccc(cc1Br)C#N 240690a_100102657272_100010244945 [0,2,0,0,0,0|2,0,0]=4 5696 B13R1.95 CNC(=O)c1ccc(cc1Br)C#N 527a_100102657272_100010244945 [0,2,0,0,0,0|2,0,0]=4 5697 B13R1.95 CNC(=O)c1ccc(cc1Br)OC 11a_106832991635_100000748873 [0,2,0,0,0,0|2,0,0]=4 5698 B13R1.95 CNC(=O)c1ccc(cc1Br)OC 1626a_100102657272_100000748873 [0,2,0,0,0,0|2,0,0]=4 5699 B13R1.95 CNC(=O)c1ccc(cc1Br)OC 240690a_100102657272_100000748873 [0,2,0,0,0,0|2,0,0]=4 5700 B13R1.95 CNC(=O)c1ccc(cc1Br)OC 527a_100102657272_100000748873 [0,2,0,0,0,0|2,0,0]=4 5701 B13R1.95 CNC(=O)c1ccc(cc1C)C#N 11a_106832991635_100000691869 [0,2,0,0,0,0|2,0,0]=4 5702 B13R1.95 CNC(=O)c1ccc(cc1C)C#N 1626a_100102657272_100000691869 [0,2,0,0,0,0|2,0,0]=4 5703 B13R1.95 CNC(=O)c1ccc(cc1C)C#N 240690a_100102657272_100000691869 [0,2,0,0,0,0|2,0,0]=4 5704 B13R1.95 CNC(=O)c1ccc(cc1C)C#N 527a_100102657272_100000691869 [0,2,0,0,0,0|2,0,0]=4 5705 B13R1.95 CNC(=O)c1ccc(cc1C)OC 11a_106832991635_100000763155 [0,2,0,0,0,0|2,0,0]=4 5706 B13R1.95 CNC(=O)c1ccc(cc1C)OC 1626a_100102657272_100000763155 [0,2,0,0,0,0|2,0,0]=4 5707 B13R1.95 CNC(=O)c1ccc(cc1C)OC 240690a_100102657272_100000763155 [0,2,0,0,0,0|2,0,0]=4 5708 B13R1.95 CNC(=O)c1ccc(cc1C)OC 527a_100102657272_100000763155 [0,2,0,0,0,0|2,0,0]=4 5709 B13R1.95 CNC(=O)c1ccc(cc1C)SC 11a_106832991635_100012278374 [0,2,0,0,0,0|2,0,0]=4 5710 B13R1.95 CNC(=O)c1ccc(cc1C)SC 1626a_100102657272_100012278374 [0,2,0,0,0,0|2,0,0]=4 5711 B13R1.95 CNC(=O)c1ccc(cc1C)SC 240690a_100102657272_100012278374 [0,2,0,0,0,0|2,0,0]=4 5712 B13R1.95 CNC(=O)c1ccc(cc1C)SC 527a_100102657272_100012278374 [0,2,0,0,0,0|2,0,0]=4 5713 B13R1.95 CNC(=O)c1ccc(cc1Cl)C#N 11a_106832991635_100000100588 [0,2,0,0,0,0|2,0,0]=4 5714 B13R1.95 CNC(=O)c1ccc(cc1Cl)C#N 1626a_100102657272_100000100588 [0,2,0,0,0,0|2,0,0]=4 5715 B13R1.95 CNC(=O)c1ccc(cc1Cl)C#N 240690a_100102657272_100000100588 [0,2,0,0,0,0|2,0,0]=4 5716 B13R1.95 CNC(=O)c1ccc(cc1Cl)C#N 527a_100102657272_100000100588 [0,2,0,0,0,0|2,0,0]=4 5717 B13R1.95 CNC(=O)c1ccc(cc1Cl)CO 240690a_100102657272_100015659073 [0,2,0,0,0,0|2,0,0]=4 5718 B13R1.95 CNC(=O)c1ccc(cc1Cl)NC 34a_100000742945_200000210301 [0,2,0,0,0,0|2,0,0]=4 5719 B13R1.95 CNC(=O)c1ccc(cc1Cl)NC 7a_100000742945_200000210301 [0,2,0,0,0,0|2,0,0]=4 5720 B13R1.95 CNC(=O)c1ccc(cc1Cl)N[13CH3] 34a_100000742945_200025704644 [0,2,0,0,0,0|2,0,0]=4 5721 B13R1.95 CNC(=O)c1ccc(cc1Cl)N[13CH3] 7a_100000742945_200025704644 [0,2,0,0,0,0|2,0,0]=4 5722 B13R1.95 CNC(=O)c1ccc(cc1Cl)OC 11a_106832991635_100000753557 [0,2,0,0,0,0|2,0,0]=4 5723 B13R1.95 CNC(=O)c1ccc(cc1Cl)OC 1626a_100102657272_100000753557 [0,2,0,0,0,0|2,0,0]=4 5724 B13R1.95 CNC(=O)c1ccc(cc1Cl)OC 240690a_100102657272_100000753557 [0,2,0,0,0,0|2,0,0]=4 5725 B13R1.95 CNC(=O)c1ccc(cc1Cl)OC 527a_100102657272_100000753557 [0,2,0,0,0,0|2,0,0]=4 5726 B13R1.95 CNC(=O)c1ccc(cc1F)C#N 11a_106832991635_100000238375 [0,2,0,0,0,0|2,0,0]=4 5727 B13R1.95 CNC(=O)c1ccc(cc1F)C#N 1626a_100102657272_100000238375 [0,2,0,0,0,0|2,0,0]=4 5728 B13R1.95 CNC(=O)c1ccc(cc1F)C#N 240690a_100102657272_100000238375 [0,2,0,0,0,0|2,0,0]=4 5729 B13R1.95 CNC(=O)c1ccc(cc1F)C#N 527a_100102657272_100000238375 [0,2,0,0,0,0|2,0,0]=4 5730 B13R1.95 CNC(=O)c1ccc(cc1F)CO 240690a_100102657272_100011934814 [0,2,0,0,0,0|2,0,0]=4 5731 B13R1.95 CNC(=O)c1ccc(cc1F)NC 27a_100102657272_100000233932 [0,2,0,0,0,0|2,0,0]=4 5732 B13R1.95 CNC(=O)c1ccc(cc1F)NC 34a_100011533607_200000210301 [0,2,0,0,0,0|2,0,0]=4 5733 B13R1.95 CNC(=O)c1ccc(cc1F)NC 7a_100011533607_200000210301 [0,2,0,0,0,0|2,0,0]=4 5734 B13R1.95 CNC(=O)c1ccc(cc1F)N[13CH3] 34a_100011533607_200025704644 [0,2,0,0,0,0|2,0,0]=4 5735 B13R1.95 CNC(=O)c1ccc(cc1F)N[13CH3] 7a_100011533607_200025704644 [0,2,0,0,0,0|2,0,0]=4 5736 B13R1.95 CNC(=O)c1ccc(cc1F)OC 11a_106832991635_100000198494 [0,2,0,0,0,0|2,0,0]=4 5737 B13R1.95 CNC(=O)c1ccc(cc1F)OC 1626a_100102657272_100000198494 [0,2,0,0,0,0|2,0,0]=4 5738 B13R1.95 CNC(=O)c1ccc(cc1F)OC 240690a_100102657272_100000198494 [0,2,0,0,0,0|2,0,0]=4 5739 B13R1.95 CNC(=O)c1ccc(cc1F)OC 527a_100102657272_100000198494 [0,2,0,0,0,0|2,0,0]=4 5740 B13R1.95 CNC(=O)c1ccc(cc1F)SC 62a_100000233932_200000210301 [0,2,0,0,0,0|2,0,0]=4 5741 B13R1.95 CNC(=O)c1ccc(cc1F)SC 62a_200000210301_100000233932 [0,2,0,0,0,0|2,0,0]=4 5742 B13R1.95 CNC(=O)c1ccc(cc1F)S[13CH3] 62a_100000233932_200025704644 [0,2,0,0,0,0|2,0,0]=4 5743 B13R1.95 CNC(=O)c1ccc(cc1F)S[13CH3] 62a_200025704644_100000233932 [0,2,0,0,0,0|2,0,0]=4 5744 B13R1.95 CNC(=O)c1ccc(cc1I)OC 11a_106832991635_100000688016 [0,2,0,0,0,0|2,0,0]=4 5745 B13R1.95 CNC(=O)c1ccc(cc1I)OC 1626a_100102657272_100000688016 [0,2,0,0,0,0|2,0,0]=4 5746 B13R1.95 CNC(=O)c1ccc(cc1I)OC 240690a_100102657272_100000688016 [0,2,0,0,0,0|2,0,0]=4 5747 B13R1.95 CNC(=O)c1ccc(cc1I)OC 527a_100102657272_100000688016 [0,2,0,0,0,0|2,0,0]=4 5748 B13R1.95 CNC(=O)c1ccc(cc1O)NC 34a_100000223174_200000210301 [0,2,0,0,0,0|1,0,0]=3 5749 B13R1.95 CNC(=O)c1ccc(cc1O)N[13CH3] 34a_100000223174_200025704644 [0,2,0,0,0,0|1,0,0]=3 5750 B13R1.95 CNC(=O)c1ccc(cc1O)OC 11a_106832991635_100000212123 [0,2,0,0,0,0|1,0,0]=3 5751 B13R1.95 CNC(=O)c1ccc(cc1O)OC 240690a_100102657272_100000212123 [0,2,0,0,0,0|1,0,0]=3 5752 B13R1.95 CNC(=O)c1ccc(cc1O)OC 527a_100102657272_100000212123 [0,2,0,0,0,0|1,0,0]=3 5753 B13R1.95 COC(=O)c1ccc(cc1O)C#N 271570a_203496583355_100009832033 [0,2,0,0,0,0|2,0,0]=4 5754 B13R1.95 COC(=O)c1ccc(cc1O)C=O 271570a_203496583355_100010630601 [0,2,0,0,0,0|2,0,0]=4 5755 B13R1.95 COC(=O)c1ccc(cc1O)OC 271570a_203496583355_100009815674 [0,2,0,0,0,0|2,0,0]=4 5756 B13R1.95 COC(=O)c1ccc(cc1O)SC 62a_200000210301_100000062286 [0,2,0,0,0,0|2,0,0]=4 5757 B13R1.95 COC(=O)c1ccc(cc1O)S[13CH3] 62a_200025704644_100000062286 [0,2,0,0,0,0|2,0,0]=4 5758 B13R1.95 COc1ccc(c(c1)O)C(=O)CF 1458a_100000212123_100015361967 [0,2,0,0,0,0|2,0,0]=4 5759 B13R1.4656 CCC(=O)c1c(cc(cc1F)Br)O 1458a_200015963038_100000210202 [0,2,0,0,0,0|2,0,0]=4 5760 B13R1.4656 CCC(=O)c1c(cc(cc1F)F)O 1458a_100000746385_100000210202 [0,2,0,0,0,0|2,0,0]=4 5761 B13R1.4656 CCC(=O)c1c(cc(cc1O)C)C 1458a_100011255216_100000210202 [0,2,0,0,0,0|2,0,0]=4 5762 B13R1.4656 CCC(=O)c1c(cc(cc1O)C)O 1458a_100000036929_100000210202 [0,2,0,0,0,0|2,0,0]=4 5763 B13R1.4656 CCC(=O)c1c(cc(cc1O)O)C 1458a_200000061528_100000210202 [0,2,0,0,0,0|2,0,0]=4 5764 B13R1.4656 CNC(=O)c1c(cc(cc1Br)Br)Br 11a_106832991635_100011217931 [0,2,0,0,0,0|2,0,0]=4 5765 B13R1.4656 CNC(=O)c1c(cc(cc1Br)Br)Br 240690a_100102657272_100011217931 [0,2,0,0,0,0|2,0,0]=4 5766 B13R1.4656 CNC(=O)c1c(cc(cc1Br)Br)Br 527a_100102657272_100011217931 [0,2,0,0,0,0|2,0,0]=4 5767 B13R1.4656 CNC(=O)c1c(cc(cc1Br)Br)F 11a_106832991635_100009813784 [0,2,0,0,0,0|2,0,0]=4 5768 B13R1.4656 CNC(=O)c1c(cc(cc1Br)Br)F 1626a_100102657272_100009813784 [0,2,0,0,0,0|2,0,0]=4 5769 B13R1.4656 CNC(=O)c1c(cc(cc1Br)Br)F 240690a_100102657272_100009813784 [0,2,0,0,0,0|2,0,0]=4 5770 B13R1.4656 CNC(=O)c1c(cc(cc1Br)Br)F 527a_100102657272_100009813784 [0,2,0,0,0,0|2,0,0]=4 5771 B13R1.4656 CNC(=O)c1c(cc(cc1Br)C)F 11a_106832991635_100010768510 [0,2,0,0,0,0|2,0,0]=4 5772 B13R1.4656 CNC(=O)c1c(cc(cc1Br)C)F 1626a_100102657272_100010768510 [0,2,0,0,0,0|2,0,0]=4 5773 B13R1.4656 CNC(=O)c1c(cc(cc1Br)C)F 240690a_100102657272_100010768510 [0,2,0,0,0,0|2,0,0]=4 5774 B13R1.4656 CNC(=O)c1c(cc(cc1Br)C)F 527a_100102657272_100010768510 [0,2,0,0,0,0|2,0,0]=4 5775 B13R1.4656 CNC(=O)c1c(cc(cc1Br)Cl)F 11a_106832991635_100010244364 [0,2,0,0,0,0|2,0,0]=4 5776 B13R1.4656 CNC(=O)c1c(cc(cc1Br)Cl)F 1626a_100102657272_100010244364 [0,2,0,0,0,0|2,0,0]=4 5777 B13R1.4656 CNC(=O)c1c(cc(cc1Br)Cl)F 240690a_100102657272_100010244364 [0,2,0,0,0,0|2,0,0]=4 5778 B13R1.4656 CNC(=O)c1c(cc(cc1Br)Cl)F 527a_100102657272_100010244364 [0,2,0,0,0,0|2,0,0]=4 5779 B13R1.4656 CNC(=O)c1c(cc(cc1Br)F)Br 11a_106832991635_200015320377 [0,2,0,0,0,0|2,0,0]=4 5780 B13R1.4656 CNC(=O)c1c(cc(cc1Br)F)Br 1626a_100102657272_200015320377 [0,2,0,0,0,0|2,0,0]=4 5781 B13R1.4656 CNC(=O)c1c(cc(cc1Br)F)Br 240690a_100102657272_200015320377 [0,2,0,0,0,0|2,0,0]=4 5782 B13R1.4656 CNC(=O)c1c(cc(cc1Br)F)Br 527a_100102657272_200015320377 [0,2,0,0,0,0|2,0,0]=4 5783 B13R1.4656 CNC(=O)c1c(cc(cc1Br)F)C 11a_106832991635_100010204434 [0,2,0,0,0,0|2,0,0]=4 5784 B13R1.4656 CNC(=O)c1c(cc(cc1Br)F)C 1626a_100102657272_100010204434 [0,2,0,0,0,0|2,0,0]=4 5785 B13R1.4656 CNC(=O)c1c(cc(cc1Br)F)C 240690a_100102657272_100010204434 [0,2,0,0,0,0|2,0,0]=4 5786 B13R1.4656 CNC(=O)c1c(cc(cc1Br)F)C 527a_100102657272_100010204434 [0,2,0,0,0,0|2,0,0]=4 5787 B13R1.4656 CNC(=O)c1c(cc(cc1Br)F)F 11a_106832991635_100013316034 [0,2,0,0,0,0|2,0,0]=4 5788 B13R1.4656 CNC(=O)c1c(cc(cc1Br)F)F 1626a_100102657272_100013316034 [0,2,0,0,0,0|2,0,0]=4 5789 B13R1.4656 CNC(=O)c1c(cc(cc1Br)F)F 240690a_100102657272_100013316034 [0,2,0,0,0,0|2,0,0]=4 5790 B13R1.4656 CNC(=O)c1c(cc(cc1Br)F)F 527a_100102657272_100013316034 [0,2,0,0,0,0|2,0,0]=4 5791 B13R1.4656 CNC(=O)c1c(cc(cc1C)Br)C 11a_106832991635_100000739581 [0,2,0,0,0,0|2,0,0]=4 5792 B13R1.4656 CNC(=O)c1c(cc(cc1C)Br)C 1626a_100102657272_100000739581 [0,2,0,0,0,0|2,0,0]=4 5793 B13R1.4656 CNC(=O)c1c(cc(cc1C)Br)C 240690a_100102657272_100000739581 [0,2,0,0,0,0|2,0,0]=4 5794 B13R1.4656 CNC(=O)c1c(cc(cc1C)C)C 11a_106832991635_100000211658 [0,2,0,0,0,0|2,0,0]=4 5795 B13R1.4656 CNC(=O)c1c(cc(cc1C)C)C 1626a_100102657272_100000211658 [0,2,0,0,0,0|2,0,0]=4 5796 B13R1.4656 CNC(=O)c1c(cc(cc1C)C)C 240690a_100102657272_100000211658 [0,2,0,0,0,0|2,0,0]=4 5797 B13R1.4656 CNC(=O)c1c(cc(cc1C)Cl)C 11a_106832991635_100000088873 [0,2,0,0,0,0|2,0,0]=4 5798 B13R1.4656 CNC(=O)c1c(cc(cc1C)Cl)C 1626a_100102657272_100000088873 [0,2,0,0,0,0|2,0,0]=4 5799 B13R1.4656 CNC(=O)c1c(cc(cc1C)Cl)C 240690a_100102657272_100000088873 [0,2,0,0,0,0|2,0,0]=4 5800 B13R1.4656 CNC(=O)c1c(cc(cc1C)F)C 11a_106832991635_100012017201 [0,2,0,0,0,0|2,0,0]=4 5801 B13R1.4656 CNC(=O)c1c(cc(cc1C)F)C 1626a_100102657272_100012017201 [0,2,0,0,0,0|2,0,0]=4 5802 B13R1.4656 CNC(=O)c1c(cc(cc1C)F)C 240690a_100102657272_100012017201 [0,2,0,0,0,0|2,0,0]=4 5803 B13R1.4656 CNC(=O)c1c(cc(cc1C)O)C 240690a_100102657272_100000066486 [0,2,0,0,0,0|2,0,0]=4 5804 B13R1.4656 CNC(=O)c1c(cc(cc1Cl)Br)C 11a_106832991635_100000698028 [0,2,0,0,0,0|2,0,0]=4 5805 B13R1.4656 CNC(=O)c1c(cc(cc1Cl)Br)C 1626a_100102657272_100000698028 [0,2,0,0,0,0|2,0,0]=4 5806 B13R1.4656 CNC(=O)c1c(cc(cc1Cl)Br)C 240690a_100102657272_100000698028 [0,2,0,0,0,0|2,0,0]=4 5807 B13R1.4656 CNC(=O)c1c(cc(cc1Cl)Br)Cl 11a_106832991635_100012360385 [0,2,0,0,0,0|2,0,0]=4 5808 B13R1.4656 CNC(=O)c1c(cc(cc1Cl)Br)Cl 1626a_100102657272_100012360385 [0,2,0,0,0,0|2,0,0]=4 5809 B13R1.4656 CNC(=O)c1c(cc(cc1Cl)Br)Cl 240690a_100102657272_100012360385 [0,2,0,0,0,0|2,0,0]=4 5810 B13R1.4656 CNC(=O)c1c(cc(cc1Cl)Br)F 11a_106832991635_100010078411 [0,2,0,0,0,0|2,0,0]=4 5811 B13R1.4656 CNC(=O)c1c(cc(cc1Cl)Br)F 1626a_100102657272_100010078411 [0,2,0,0,0,0|2,0,0]=4 5812 B13R1.4656 CNC(=O)c1c(cc(cc1Cl)Br)F 240690a_100102657272_100010078411 [0,2,0,0,0,0|2,0,0]=4 5813 B13R1.4656 CNC(=O)c1c(cc(cc1Cl)Br)F 527a_100102657272_100010078411 [0,2,0,0,0,0|2,0,0]=4 5814 B13R1.4656 CNC(=O)c1c(cc(cc1Cl)C)Cl 11a_106832991635_100009989429 [0,2,0,0,0,0|2,0,0]=4 5815 B13R1.4656 CNC(=O)c1c(cc(cc1Cl)C)Cl 1626a_100102657272_100009989429 [0,2,0,0,0,0|2,0,0]=4 5816 B13R1.4656 CNC(=O)c1c(cc(cc1Cl)C)Cl 240690a_100102657272_100009989429 [0,2,0,0,0,0|2,0,0]=4 5817 B13R1.4656 CNC(=O)c1c(cc(cc1Cl)C)Cl 527a_100102657272_100009989429 [0,2,0,0,0,0|2,0,0]=4 5818 B13R1.4656 CNC(=O)c1c(cc(cc1Cl)Cl)Cl 11a_106832991635_100011215713 [0,2,0,0,0,0|2,0,0]=4 5819 B13R1.4656 CNC(=O)c1c(cc(cc1Cl)Cl)Cl 1626a_100102657272_100011215713 [0,2,0,0,0,0|2,0,0]=4 5820 B13R1.4656 CNC(=O)c1c(cc(cc1Cl)Cl)Cl 240690a_100102657272_100011215713 [0,2,0,0,0,0|2,0,0]=4 5821 B13R1.4656 CNC(=O)c1c(cc(cc1Cl)Cl)F 11a_106832991635_100010068318 [0,2,0,0,0,0|2,0,0]=4 5822 B13R1.4656 CNC(=O)c1c(cc(cc1Cl)Cl)F 1626a_100102657272_100010068318 [0,2,0,0,0,0|2,0,0]=4 5823 B13R1.4656 CNC(=O)c1c(cc(cc1Cl)Cl)F 240690a_100102657272_100010068318 [0,2,0,0,0,0|2,0,0]=4 5824 B13R1.4656 CNC(=O)c1c(cc(cc1Cl)Cl)F 527a_100102657272_100010068318 [0,2,0,0,0,0|2,0,0]=4 5825 B13R1.4656 CNC(=O)c1c(cc(cc1Cl)F)Cl 11a_106832991635_100000703918 [0,2,0,0,0,0|2,0,0]=4 5826 B13R1.4656 CNC(=O)c1c(cc(cc1Cl)F)Cl 1626a_100102657272_100000703918 [0,2,0,0,0,0|2,0,0]=4 5827 B13R1.4656 CNC(=O)c1c(cc(cc1Cl)F)Cl 240690a_100102657272_100000703918 [0,2,0,0,0,0|2,0,0]=4 5828 B13R1.4656 CNC(=O)c1c(cc(cc1Cl)F)F 11a_106832991635_100000119028 [0,2,0,0,0,0|2,0,0]=4 5829 B13R1.4656 CNC(=O)c1c(cc(cc1Cl)F)F 1626a_100102657272_100000119028 [0,2,0,0,0,0|2,0,0]=4 5830 B13R1.4656 CNC(=O)c1c(cc(cc1Cl)F)F 240690a_100102657272_100000119028 [0,2,0,0,0,0|2,0,0]=4 5831 B13R1.4656 CNC(=O)c1c(cc(cc1Cl)F)F 527a_100102657272_100000119028 [0,2,0,0,0,0|2,0,0]=4 5832 B13R1.4656 CNC(=O)c1c(cc(cc1Cl)I)Cl 11a_106832991635_100010740244 [0,2,0,0,0,0|2,0,0]=4 5833 B13R1.4656 CNC(=O)c1c(cc(cc1Cl)I)Cl 1626a_100102657272_100010740244 [0,2,0,0,0,0|2,0,0]=4 5834 B13R1.4656 CNC(=O)c1c(cc(cc1Cl)I)Cl 240690a_100102657272_100010740244 [0,2,0,0,0,0|2,0,0]=4 5835 B13R1.4656 CNC(=O)c1c(cc(cc1Cl)I)Cl 527a_100102657272_100010740244 [0,2,0,0,0,0|2,0,0]=4 5836 B13R1.4656 CNC(=O)c1c(cc(cc1Cl)O)Cl 240690a_100102657272_100010423397 [0,2,0,0,0,0|2,0,0]=4 5837 B13R1.4656 CNC(=O)c1c(cc(cc1F)Br)C 11a_106832991635_100000708665 [0,2,0,0,0,0|2,0,0]=4 5838 B13R1.4656 CNC(=O)c1c(cc(cc1F)Br)C 1626a_100102657272_100000708665 [0,2,0,0,0,0|2,0,0]=4 5839 B13R1.4656 CNC(=O)c1c(cc(cc1F)Br)C 240690a_100102657272_100000708665 [0,2,0,0,0,0|2,0,0]=4 5840 B13R1.4656 CNC(=O)c1c(cc(cc1F)Br)C 527a_100102657272_100000708665 [0,2,0,0,0,0|2,0,0]=4 5841 B13R1.4656 CNC(=O)c1c(cc(cc1F)Br)F 11a_106832991635_100000766946 [0,2,0,0,0,0|2,0,0]=4 5842 B13R1.4656 CNC(=O)c1c(cc(cc1F)Br)F 1626a_100102657272_100000766946 [0,2,0,0,0,0|2,0,0]=4 5843 B13R1.4656 CNC(=O)c1c(cc(cc1F)Br)F 240690a_100102657272_100000766946 [0,2,0,0,0,0|2,0,0]=4 5844 B13R1.4656 CNC(=O)c1c(cc(cc1F)Br)F 527a_100102657272_100000766946 [0,2,0,0,0,0|2,0,0]=4 5845 B13R1.4656 CNC(=O)c1c(cc(cc1F)Br)O 527a_100102657272_200015963038 [0,2,0,0,0,0|1,0,0]=3 5846 B13R1.4656 CNC(=O)c1c(cc(cc1F)C)F 11a_106832991635_100009878570 [0,2,0,0,0,0|2,0,0]=4 5847 B13R1.4656 CNC(=O)c1c(cc(cc1F)C)F 1626a_100102657272_100009878570 [0,2,0,0,0,0|2,0,0]=4 5848 B13R1.4656 CNC(=O)c1c(cc(cc1F)C)F 240690a_100102657272_100009878570 [0,2,0,0,0,0|2,0,0]=4 5849 B13R1.4656 CNC(=O)c1c(cc(cc1F)C)F 527a_100102657272_100009878570 [0,2,0,0,0,0|2,0,0]=4 5850 B13R1.4656 CNC(=O)c1c(cc(cc1F)Cl)C 11a_106832991635_100010768517 [0,2,0,0,0,0|2,0,0]=4 5851 B13R1.4656 CNC(=O)c1c(cc(cc1F)Cl)C 1626a_100102657272_100010768517 [0,2,0,0,0,0|2,0,0]=4 5852 B13R1.4656 CNC(=O)c1c(cc(cc1F)Cl)C 240690a_100102657272_100010768517 [0,2,0,0,0,0|2,0,0]=4 5853 B13R1.4656 CNC(=O)c1c(cc(cc1F)Cl)C 527a_100102657272_100010768517 [0,2,0,0,0,0|2,0,0]=4 5854 B13R1.4656 CNC(=O)c1c(cc(cc1F)Cl)F 11a_106832991635_100000062413 [0,2,0,0,0,0|2,0,0]=4 5855 B13R1.4656 CNC(=O)c1c(cc(cc1F)Cl)F 1626a_100102657272_100000062413 [0,2,0,0,0,0|2,0,0]=4 5856 B13R1.4656 CNC(=O)c1c(cc(cc1F)Cl)F 240690a_100102657272_100000062413 [0,2,0,0,0,0|2,0,0]=4 5857 B13R1.4656 CNC(=O)c1c(cc(cc1F)Cl)F 527a_100102657272_100000062413 [0,2,0,0,0,0|2,0,0]=4 5858 B13R1.4656 CNC(=O)c1c(cc(cc1F)F)F 11a_106832991635_100000751013 [0,2,0,0,0,0|2,0,0]=4 5859 B13R1.4656 CNC(=O)c1c(cc(cc1F)F)F 1626a_100102657272_100000751013 [0,2,0,0,0,0|2,0,0]=4 5860 B13R1.4656 CNC(=O)c1c(cc(cc1F)F)F 240690a_100102657272_100000751013 [0,2,0,0,0,0|2,0,0]=4 5861 B13R1.4656 CNC(=O)c1c(cc(cc1F)F)F 527a_100102657272_100000751013 [0,2,0,0,0,0|2,0,0]=4 5862 B13R1.4656 CNC(=O)c1c(cc(cc1F)F)O 240690a_100102657272_100000746385 [0,2,0,0,0,0|1,0,0]=3 5863 B13R1.4656 CNC(=O)c1c(cc(cc1F)F)O 527a_100102657272_100000746385 [0,2,0,0,0,0|1,0,0]=3 5864 B13R1.4656 CNC(=O)c1c(cc(cc1F)O)F 240690a_100102657272_100000038755 [0,2,0,0,0,0|2,0,0]=4 5865 B13R1.4656 CNC(=O)c1c(cc(cc1F)O)F 527a_100102657272_100000038755 [0,2,0,0,0,0|2,0,0]=4 5866 B13R1.4656 CNC(=O)c1c(cc(cc1I)C)I 11a_106832991635_200010371430 [0,2,0,0,0,0|2,0,0]=4 5867 B13R1.4656 CNC(=O)c1c(cc(cc1I)C)I 1626a_100102657272_200010371430 [0,2,0,0,0,0|2,0,0]=4 5868 B13R1.4656 CNC(=O)c1c(cc(cc1I)C)I 240690a_100102657272_200010371430 [0,2,0,0,0,0|2,0,0]=4 5869 B13R1.4656 CNC(=O)c1c(cc(cc1I)C)I 527a_100102657272_200010371430 [0,2,0,0,0,0|2,0,0]=4 5870 B13R1.4656 CNC(=O)c1c(cc(cc1I)F)C 11a_106832991635_200010371433 [0,2,0,0,0,0|2,0,0]=4 5871 B13R1.4656 CNC(=O)c1c(cc(cc1I)F)C 1626a_100102657272_200010371433 [0,2,0,0,0,0|2,0,0]=4 5872 B13R1.4656 CNC(=O)c1c(cc(cc1I)F)C 240690a_100102657272_200010371433 [0,2,0,0,0,0|2,0,0]=4 5873 B13R1.4656 CNC(=O)c1c(cc(cc1I)F)C 527a_100102657272_200010371433 [0,2,0,0,0,0|2,0,0]=4 5874 B13R1.4656 CNC(=O)c1c(cc(cc1O)C)O 527a_100102657272_100000036929 [0,2,0,0,0,0|1,0,0]=3 5875 B13R1.4656 CNC(=O)c1c(cc(cc1O)O)O 527a_100102657272_100000040092 [0,2,0,0,0,0|1,0,0]=3 5876 B13R1.4656 COC(=O)c1c(cc(cc1F)C)O 271570a_203496583355_100015667323 [0,2,0,0,0,0|2,0,0]=4 5877 B13R1.4656 COC(=O)c1c(cc(cc1F)F)O 271570a_203496583355_100010009842 [0,2,0,0,0,0|2,0,0]=4 5878 B13R1.4656 COC(=O)c1c(cc(cc1F)O)O 271570a_203496583355_100010889199 [0,2,0,0,0,0|2,0,0]=4 5879 B13R1.4656 Cc1cc(c(c(c1)O)C(=O)CF)C 1458a_100011255216_100015361967 [0,2,0,0,0,0|2,0,0]=4 5880 B13R1.4656 Cc1cc(c(c(c1)O)C(=O)CF)O 1458a_100000036929_100015361967 [0,2,0,0,0,0|2,0,0]=4 5881 B13R1.4656 Cc1cc(cc(c1C(=O)CF)O)O 1458a_200000061528_100015361967 [0,2,0,0,0,0|2,0,0]=4 5882 B13R1.4656 O=C(CF)c1c(cc(cc1F)Br)O 1458a_200015963038_100015361967 [0,2,0,0,0,0|2,0,0]=4 5883 B13R1.4656 O=C(CF)c1c(cc(cc1F)F)O 1458a_100000746385_100015361967 [0,2,0,0,0,0|2,0,0]=4 5884 B11R1.25 CNC(=O)C=Cc1cccs1 11a_106832991635_100000182767 [0,0,1,1,0,0|1,1,0]=4 5885 B11R1.25 CNC(=O)C=Cc1cccs1 1626a_100102657272_100000182767 [0,0,1,1,0,0|1,1,0]=4 5886 B11R1.25 CNC(=O)C=Cc1cccs1 240690a_100102657272_100000182767 [0,0,1,1,0,0|1,1,0]=4 5887 B11R2.10 Oc1cc2ccccc2[nH]1 271570a_203496583355_100010232065 [1,0,0,1,0,0|2,0,0]=4 5888 B11R2.10 Oc1cc2ccccc2o1 271570a_203496583355_100010159458 [1,0,0,1,0,0|1,0,0]=3 5889 B11R2.10 Oc1cc2ccccc2s1 271570a_203496583355_100009816949 [1,0,0,1,0,0|1,1,0]=4 5890 B11R2.106 Oc1cccc2c1CCO2 271570a_203496583355_100009819624 [1,0,0,1,0,0|1,0,1]=4 5891 B11R2.106 Oc1cccc2c1CNC2 271570a_203496583355_100000703859 [1,0,0,1,0,0|1,0,1]=4 5892 B11R2.106 Oc1cccc2c1OCO2 271570a_203496583355_100009814252 [1,0,0,1,0,0|2,0,0]=4 5893 B11R2.106 Oc1cccc2c1cc[nH]2 271570a_203496583355_100000685724 [1,0,0,1,0,0|2,0,0]=4 5894 B11R2.106 Oc1cccc2c1cco2 271570a_203496583355_100000756496 [1,0,0,1,0,0|1,0,0]=3 5895 B11R2.106 Oc1cccc2c1ccs2 271570a_203496583355_100009816950 [1,0,0,1,0,0|1,1,0]=4 5896 B11R2.106 Oc1cccc2c1cn[nH]2 271570a_203496583355_100000753301 [1,0,0,1,0,0|1,0,1]=4 5897 B11R2.106 Oc1cccc2c1cno2 271570a_203496583355_100009818589 [1,0,0,1,0,0|0,0,1]=3 5898 B11R2.106 Oc1cccc2c1nco2 271570a_203496583355_100009816834 [1,0,0,1,0,0|2,0,0]=4 5899 B11R2.106 Oc1nccc2c1cco2 271570a_203496583355_100000041166 [1,0,0,1,0,0|2,0,0]=4 5900 B11R2.1 Oc1coc2c1cccc2 271570a_203496583355_100009812202 [1,0,0,1,0,0|1,0,1]=4 5901 B13R2.54 NNc1nc2c(cccc2s1)O 271570a_203496583355_100009820880 [0,0,0,1,0,1|1,1,0]=4 5902 B13R2.54 OCc1cc2cccc(c2s1)O 271570a_203496583355_100010255382 [0,0,0,1,0,1|2,0,0]=4 5903 B13R2.162 O=C1CCc2cccc(c2C1)O 271570a_203496583355_100010006498 [0,0,0,1,0,1|2,0,0]=4 5904 B13R2.162 O=c1ccc2cccc(c2[nH]1)O 271570a_203496583355_100000688906 [0,0,0,1,0,1|2,0,0]=4 5905 B13R2.369 O=c1oc2ccccc2cc1O 271570a_203496583355_200000187772 [0,0,0,1,0,1|2,0,0]=4 5906 B13R2.4825 O=C1Nc2c(cccc2C1=O)O 271570a_203496583355_100000183292 [0,0,0,1,0,1|1,0,1]=4 5907 B13R2.15272 CNC(=O)C1Cc2c1cccc2 11a_106832991635_200000238571 [0,0,0,1,0,1|2,0,0]=4 5908 B13R2.15272 CNC(=O)C1Cc2c1cccc2 1626a_100102657272_200000238571 [0,0,0,1,0,1|2,0,0]=4 5909 B13R2.15272 CNC(=O)C1Cc2c1cccc2 240690a_100102657272_200000238571 [0,0,0,1,0,1|2,0,0]=4 5910 B13R2.15272 CNC(=O)C1Cc2c1cccc2 527a_100102657272_200000238571 [0,0,0,1,0,1|2,0,0]=4 5911 B13R2.342 O=C1CCOc2c1cccc2O 271570a_203496583355_100000744318 [0,1,0,1,0,0|2,0,0]=4 5912 B13R2.342 O=C1NCCc2c1cccc2O 271570a_203496583355_100000695023 [0,1,0,1,0,0|2,0,0]=4 5913 B13R2.342 O=c1[nH]ccc2c1cccc2O 271570a_203496583355_100000703947 [0,1,0,1,0,0|2,0,0]=4 5914 B13R2.3790 Nc1ccc2c(c1O)C(=O)CC2 271570a_203496583355_100010218033 [0,1,0,1,0,0|2,0,0]=4 5915 B13R2.3790 O=C1CCc2c1c(c(cc2)F)O 271570a_203496583355_200010133456 [0,1,0,1,0,0|2,0,0]=4 5916 B13R2.32 O=c1c(c[nH]c2c1cccc2)O 271570a_203496583355_100012339567 [0,1,0,1,0,0|2,0,0]=4 5917 B13R2.32 O=c1c(coc2c1cccc2)O 271570a_203496583355_100009813851 [0,1,0,1,0,0|1,0,0]=3 5918 B13R2.371 O=c1[nH]cc(c2c1cncc2)O 271570a_203496583355_100010090797 [0,1,0,1,0,0|2,0,0]=4 5919 B13R2.371 O=c1[nH]nc(c2c1cccc2)O 271570a_203496583355_100010235092 [0,1,0,1,0,0|1,0,0]=3 5920 B13R2.371 O=c1[nH]nc(c2c1cccn2)O 271570a_203496583355_200021304518 [0,1,0,1,0,0|2,0,0]=4 5921 B13R2.371 O=c1[nH]nc(c2c1nccc2)O 271570a_203496583355_100021647086 [0,1,0,1,0,0|2,0,0]=4 5922 B13R2.582 C=Cc1cccc2c1C(=O)CO2 271570a_100011290941_100010205902 [0,1,0,1,0,0|2,0,0]=4 5923 B13R2.582 C=Cc1cccc2c1C(=O)NC2 271570a_100011290941_100000724024 [0,1,0,1,0,0|2,0,0]=4 5924 B13R2.582 C=Cc1cccc2c1c(=O)[nH][nH]2 271570a_100011290941_100010170957 [0,1,0,1,0,0|2,0,0]=4 5925 B13R2.582 COc1cccc2c1C(=O)CC2 34a_100000066596_200000210301 [0,1,0,1,0,0|2,0,0]=4 5926 B13R2.582 COc1cccc2c1C(=O)CC2 7a_100000066596_200000210301 [0,1,0,1,0,0|2,0,0]=4 5927 B13R2.582 COc1cccc2c1C(=O)CO2 34a_200009856558_200000210301 [0,1,0,1,0,0|1,0,0]=3 5928 B13R2.582 CSc1cccc2c1C(=O)CO2 62a_200000210301_100010205902 [0,1,0,1,0,0|1,1,0]=4 5929 B13R2.582 CSc1cccc2c1C(=O)NC2 62a_100000724024_200000210301 [0,1,0,1,0,0|1,1,0]=4 5930 B13R2.582 CSc1cccc2c1C(=O)NC2 62a_200000210301_100000724024 [0,1,0,1,0,0|1,1,0]=4 5931 B13R2.582 [13CH3]Oc1cccc2c1C(=O)CC2 34a_100000066596_200025704644 [0,1,0,1,0,0|2,0,0]=4 5932 B13R2.582 [13CH3]Oc1cccc2c1C(=O)CC2 7a_100000066596_200025704644 [0,1,0,1,0,0|2,0,0]=4 5933 B13R2.582 [13CH3]Oc1cccc2c1C(=O)CO2 34a_200009856558_200025704644 [0,1,0,1,0,0|1,0,0]=3 5934 B13R2.582 [13CH3]Sc1cccc2c1C(=O)CO2 62a_200025704644_100010205902 [0,1,0,1,0,0|1,1,0]=4 5935 B13R2.582 [13CH3]Sc1cccc2c1C(=O)NC2 62a_100000724024_200025704644 [0,1,0,1,0,0|1,1,0]=4 5936 B13R2.582 [13CH3]Sc1cccc2c1C(=O)NC2 62a_200025704644_100000724024 [0,1,0,1,0,0|1,1,0]=4 5937 B13R2.4856 O=C1Nc2cccc(c2C1=O)O 271570a_203496583355_100000697038 [0,1,0,1,0,0|1,0,1]=4 5938 B13R2.18 Oc1ccccc1C2=CCOC2 271570a_100009872500_100000739446 [0,1,0,1,0,0|2,0,0]=4 5939 B13R2.18 Oc1ccccc1C2=COCC2 271570a_100000118173_100000739446 [0,1,0,1,0,0|2,0,0]=4 5940 B13R2.18 Oc1ccccc1c2c[nH]cn2 271570a_100000035170_100000756875 [0,1,0,1,0,0|2,0,0]=4 5941 B13R2.18 Oc1ccccc1c2cc[nH]c2 271570a_100000102155_100000739446 [0,1,0,1,0,0|2,0,0]=4 5942 B13R2.18 Oc1ccccc1c2cc[nH]n2 271570a_100000035170_100000062575 [0,1,0,1,0,0|2,0,0]=4 5943 B13R2.18 Oc1ccccc1c2cc[nH]n2 271570a_100000062414_100000739446 [0,1,0,1,0,0|2,0,0]=4 5944 B13R2.18 Oc1ccccc1c2cc[nH]n2 271570a_203496583355_100011216357 [0,1,0,1,0,0|2,0,0]=4 5945 B13R2.18 Oc1ccccc1c2ccoc2 271570a_100000035170_100011215275 [0,1,0,1,0,0|2,0,0]=4 5946 B13R2.18 Oc1ccccc1c2ccoc2 271570a_100011218838_100000739446 [0,1,0,1,0,0|2,0,0]=4 5947 B13R2.18 Oc1ccccc1c2cn[nH]c2 271570a_100000035170_100000238712 [0,1,0,1,0,0|2,0,0]=4 5948 B13R2.18 Oc1ccccc1c2cn[nH]c2 271570a_100000041997_100000739446 [0,1,0,1,0,0|2,0,0]=4 5949 B13R2.18 Oc1ccccc1c2cnoc2 271570a_100000035170_100009815712 [0,1,0,1,0,0|1,0,1]=4 5950 B13R2.18 Oc1ccccc1c2cocn2 271570a_203496583355_100010198669 [0,1,0,1,0,0|1,0,1]=4 5951 B13R2.18 Oc1ccccc1c2nc[nH]n2 271570a_100000035170_100000761765 [0,1,0,1,0,0|2,0,0]=4 5952 B13R2.18 Oc1ccccc1c2ncc[nH]2 271570a_100000035170_100025796157 [0,1,0,1,0,0|2,0,0]=4 5953 B13R2.18 Oc1ccccc1c2ncc[nH]2 271570a_100016988920_100000739446 [0,1,0,1,0,0|2,0,0]=4 5954 B13R2.18 Oc1ccccc1c2ncc[nH]2 271570a_203496583355_100011532729 [0,1,0,1,0,0|2,0,0]=4 5955 B13R2.18 Oc1ccccc1c2nnn[nH]2 271570a_203496583355_100000184712 [0,1,0,1,0,0|2,0,0]=4 5956 B13R2.2091 O=Cc1c[nH]c2c1c(ccc2)O 271570a_203496583355_100000693042 [0,1,0,1,0,0|2,0,0]=4 5957 B13R2.1 CNCc1coc2c1cccc2 207a_100102657272_100000688544 [0,1,0,1,0,0|2,0,0]=4 5958 B13R2.1 CNCc1coc2c1cccc2 270004a_106832991635_100000688544 [0,1,0,1,0,0|2,0,0]=4 5959 B13R2.1 CNCc1noc2c1cccc2 34a_100102657272_100009813815 [0,1,0,1,0,0|2,0,0]=4 5960 B13R2.1 CNCc1noc2c1cccc2 7a_106832991635_100009813815 [0,1,0,1,0,0|2,0,0]=4 5961 B13R2.1 COCc1noc2c1cccc2 34a_100138415774_100009813815 [0,1,0,1,0,0|2,0,0]=4 5962 B13R2.328 O=c1cc([nH]c2c1cccc2)O 271570a_203496583355_100000090176 [0,1,0,1,0,0|2,0,0]=4 5963 B13R2.4818 O=C1CCCc2c1c(ccc2)O 271570a_203496583355_100009816782 [0,1,0,1,0,0|2,0,0]=4 5964 B13R2.4818 O=C1CCOc2c1c(ccc2)O 271570a_203496583355_100010205896 [0,1,0,1,0,0|1,0,0]=3 5965 B13R2.4818 O=c1[nH]cnc2c1c(ccc2)O 271570a_203496583355_100000696754 [0,1,0,1,0,0|1,0,0]=3 5966 B13R2.4857 Cn1nc(c2c1cccc2O)N 271570a_203496583355_100010211377 [0,1,0,1,0,0|2,0,0]=4 5967 B13R2.4857 O=C1NC(=O)c2c1cccc2O 271570a_203496583355_100010194295 [0,1,0,1,0,0|0,0,1]=3 5968 B13R2.4857 O=C1OC(=O)c2c1cccc2O 271570a_203496583355_100010195870 [0,1,0,1,0,0|1,0,1]=4 5969 B13R2.3028 CN1Cc2ccc(cc2C1=O)O 271570a_203496583355_100010125600 [0,1,0,1,0,0|2,0,0]=4 5970 B13R2.5151 O=C1CCc2c1c(ccc2F)O 271570a_203496583355_100000694073 [0,1,0,1,0,0|2,0,0]=4 5971 B13R2.5151 O=C1CCc2c1c(ccc2O)O 271570a_203496583355_100009816527 [0,1,0,1,0,0|2,0,0]=4 5972 B13R2.5151 O=C1CCc2c1c(ccc2O)O 271570a_203496583355_200010133748 [0,1,0,1,0,0|2,0,0]=4 5973 B13R2.5179 O=C1CCOc2c1ccc(c2)O 271570a_203496583355_100000696939 [0,1,0,1,0,0|2,0,0]=4 5974 B13R2.5179 O=C1NCCc2c1ccc(c2)O 271570a_203496583355_100009817313 [0,1,0,1,0,0|2,0,0]=4 5975 B13R2.5179 O=c1[nH]cnc2c1ccc(c2)O 271570a_203496583355_100000230960 [0,1,0,1,0,0|2,0,0]=4 5976 B13R2.5179 O=c1ccoc2c1ccc(c2)O 271570a_203496583355_100010062221 [0,1,0,1,0,0|2,0,0]=4 5977 B13R2.5190 CN1Cc2cc(ccc2C1=O)O 271570a_203496583355_100010161043 [0,1,0,1,0,0|2,0,0]=4 5978 B13R2.11642 Cc1cc(cc2c1C(=O)NC2)O 271570a_203496583355_200010764723 [0,1,0,1,0,0|2,0,0]=4 5979 B13R2.11642 O=C1CCc2c1c(cc(c2)F)O 271570a_203496583355_100010079923 [0,1,0,1,0,0|2,0,0]=4 5980 B13R2.11642 O=C1CCc2c1c(cc(c2)O)O 271570a_203496583355_200010214548 [0,1,0,1,0,0|2,0,0]=4 5981 B13R2.11642 O=C1NCc2c1c(cc(c2)O)F 271570a_203496583355_100010161078 [0,1,0,1,0,0|2,0,0]=4 5982 B9R1.41 CC(=O)c1sccc1O 271570a_203496583355_100000738688 [1,0,0,0,1,0|2,0,0]=4 5983 B9R1.41 NC(=O)c1[nH]ncc1O 271570a_203496583355_200009820792 [1,0,0,0,1,0|2,0,0]=4 5984 B9R1.41 NC(=O)c1cscc1O 271570a_203496583355_100009817205 [1,0,0,0,1,0|1,0,0]=3 5985 B13R1.528 C#CC(=O)CCc1ccccc1O 1458a_100000211873_100000722297 [0,0,0,0,0,2|2,0,0]=4 5986 B13R1.528 C=CC(=O)CCc1ccccc1O 1458a_100000185746_100000722297 [0,0,0,0,0,2|2,0,0]=4 5987 B13R1.528 C=CC(=O)NCc1ccccc1O 240690a_100000185550_200121576911 [0,0,0,0,0,2|2,0,0]=4 5988 B13R1.528 CCC(=O)C=Cc1ccccc1O 1458a_100016263591_100000210202 [0,0,0,0,0,2|2,0,0]=4 5989 B13R1.528 CCC(=O)CCc1ccccc1O 1458a_100000181328_100000210202 [0,0,0,0,0,2|2,0,0]=4 5990 B13R1.528 CCC(=O)CCc1ccccc1O 1458a_100000210414_100000722297 [0,0,0,0,0,2|2,0,0]=4 5991 B13R1.528 CCC(=O)COc1ccccc1O 1458a_100000183020_100000210202 [0,0,0,0,0,2|2,0,0]=4 5992 B13R1.528 CCC(=O)CSc1ccccc1O 1458a_100000695322_100000210202 [0,0,0,0,0,2|2,0,0]=4 5993 B13R1.528 CCC(=O)CSc1ccccc1O 62a_100000739446_100000747405 [0,0,0,0,0,2|2,0,0]=4 5994 B13R1.528 CCC(=O)CSc1ccccc1O 62a_100000747405_100000739446 [0,0,0,0,0,2|2,0,0]=4 5995 B13R1.528 CCC(=O)NCc1ccccc1O 240690a_100000185550_100000210414 [0,0,0,0,0,2|2,0,0]=4 5996 B13R1.528 CCC(=O)NCc1ccccc1O 527a_100000185550_100000210414 [0,0,0,0,0,2|2,0,0]=4 5997 B13R1.528 CNC(=O)C=Cc1ccccc1Br 11a_106832991635_100000719032 [0,0,0,0,0,2|2,0,0]=4 5998 B13R1.528 CNC(=O)C=Cc1ccccc1Br 1626a_100102657272_100000719032 [0,0,0,0,0,2|2,0,0]=4 5999 B13R1.528 CNC(=O)C=Cc1ccccc1Br 240690a_100102657272_100000719032 [0,0,0,0,0,2|2,0,0]=4 6000 B13R1.528 CNC(=O)C=Cc1ccccc1C 1626a_100102657272_100016266485 [0,0,0,0,0,2|2,0,0]=4 6001 B13R1.528 CNC(=O)C=Cc1ccccc1Cl 11a_106832991635_100000720304 [0,0,0,0,0,2|2,0,0]=4 6002 B13R1.528 CNC(=O)C=Cc1ccccc1Cl 1626a_100102657272_100000720304 [0,0,0,0,0,2|2,0,0]=4 6003 B13R1.528 CNC(=O)C=Cc1ccccc1Cl 240690a_100102657272_100000720304 [0,0,0,0,0,2|2,0,0]=4 6004 B13R1.528 CNC(=O)C=Cc1ccccc1F 11a_106832991635_100016256065 [0,0,0,0,0,2|2,0,0]=4 6005 B13R1.528 CNC(=O)C=Cc1ccccc1F 1626a_100102657272_100016256065 [0,0,0,0,0,2|2,0,0]=4 6006 B13R1.528 CNC(=O)C=Cc1ccccc1F 240690a_100102657272_100016256065 [0,0,0,0,0,2|2,0,0]=4 6007 B13R1.528 CNC(=O)CCc1ccccc1Br 11a_106832991635_100000740810 [0,0,0,0,0,2|2,0,0]=4 6008 B13R1.528 CNC(=O)CCc1ccccc1Br 1626a_100102657272_100000740810 [0,0,0,0,0,2|2,0,0]=4 6009 B13R1.528 CNC(=O)CCc1ccccc1Br 240690a_100102657272_100000740810 [0,0,0,0,0,2|2,0,0]=4 6010 B13R1.528 CNC(=O)CCc1ccccc1Br 527a_100102657272_100000740810 [0,0,0,0,0,2|2,0,0]=4 6011 B13R1.528 CNC(=O)CCc1ccccc1C 11a_106832991635_100000748742 [0,0,0,0,0,2|2,0,0]=4 6012 B13R1.528 CNC(=O)CCc1ccccc1C 1626a_100102657272_100000748742 [0,0,0,0,0,2|2,0,0]=4 6013 B13R1.528 CNC(=O)CCc1ccccc1C 240690a_100102657272_100000748742 [0,0,0,0,0,2|2,0,0]=4 6014 B13R1.528 CNC(=O)CCc1ccccc1C 527a_100102657272_100000748742 [0,0,0,0,0,2|2,0,0]=4 6015 B13R1.528 CNC(=O)CCc1ccccc1Cl 11a_106832991635_100000184300 [0,0,0,0,0,2|2,0,0]=4 6016 B13R1.528 CNC(=O)CCc1ccccc1Cl 1626a_100102657272_100000184300 [0,0,0,0,0,2|2,0,0]=4 6017 B13R1.528 CNC(=O)CCc1ccccc1Cl 240690a_100102657272_100000184300 [0,0,0,0,0,2|2,0,0]=4 6018 B13R1.528 CNC(=O)CCc1ccccc1Cl 527a_100102657272_100000184300 [0,0,0,0,0,2|2,0,0]=4 6019 B13R1.528 CNC(=O)CCc1ccccc1F 11a_106832991635_100000189703 [0,0,0,0,0,2|2,0,0]=4 6020 B13R1.528 CNC(=O)CCc1ccccc1F 1626a_100102657272_100000189703 [0,0,0,0,0,2|2,0,0]=4 6021 B13R1.528 CNC(=O)CCc1ccccc1F 240690a_100102657272_100000189703 [0,0,0,0,0,2|2,0,0]=4 6022 B13R1.528 CNC(=O)CCc1ccccc1F 527a_100102657272_100000189703 [0,0,0,0,0,2|2,0,0]=4 6023 B13R1.528 CNC(=O)CCc1ccccc1I 11a_106832991635_100000037306 [0,0,0,0,0,2|2,0,0]=4 6024 B13R1.528 CNC(=O)CCc1ccccc1I 1626a_100102657272_100000037306 [0,0,0,0,0,2|2,0,0]=4 6025 B13R1.528 CNC(=O)CCc1ccccc1I 240690a_100102657272_100000037306 [0,0,0,0,0,2|2,0,0]=4 6026 B13R1.528 CNC(=O)CCc1ccccc1I 527a_100102657272_100000037306 [0,0,0,0,0,2|2,0,0]=4 6027 B13R1.528 CNC(=O)CCc1ccccc1O 11a_106832991635_100000181328 [0,0,0,0,0,2|1,0,0]=3 6028 B13R1.528 CNC(=O)CCc1ccccc1O 240690a_100102657272_100000181328 [0,0,0,0,0,2|1,0,0]=3 6029 B13R1.528 CNC(=O)CCc1ccccc1O 527a_100102657272_100000181328 [0,0,0,0,0,2|1,0,0]=3 6030 B13R1.528 CNC(=O)CNc1ccccc1Br 34a_100000210017_100000183359 [0,0,0,0,0,2|2,0,0]=4 6031 B13R1.528 CNC(=O)CNc1ccccc1C 34a_100015192222_100000183359 [0,0,0,0,0,2|2,0,0]=4 6032 B13R1.528 CNC(=O)CNc1ccccc1Cl 34a_100000185783_100000183359 [0,0,0,0,0,2|2,0,0]=4 6033 B13R1.528 CNC(=O)CNc1ccccc1F 34a_100000210422_100000183359 [0,0,0,0,0,2|2,0,0]=4 6034 B13R1.528 CNC(=O)CNc1ccccc1I 34a_100000210053_100000183359 [0,0,0,0,0,2|2,0,0]=4 6035 B13R1.528 CNC(=O)CNc1ccccc1O 34a_100000185747_100000183359 [0,0,0,0,0,2|1,0,0]=3 6036 B13R1.528 CNC(=O)COc1ccccc1Br 11a_106832991635_100000216496 [0,0,0,0,0,2|2,0,0]=4 6037 B13R1.528 CNC(=O)COc1ccccc1Br 1626a_100102657272_100000216496 [0,0,0,0,0,2|2,0,0]=4 6038 B13R1.528 CNC(=O)COc1ccccc1Br 240690a_100102657272_100000216496 [0,0,0,0,0,2|2,0,0]=4 6039 B13R1.528 CNC(=O)COc1ccccc1Br 34a_100000181306_100000183359 [0,0,0,0,0,2|2,0,0]=4 6040 B13R1.528 CNC(=O)COc1ccccc1Br 527a_100102657272_100000216496 [0,0,0,0,0,2|2,0,0]=4 6041 B13R1.528 CNC(=O)COc1ccccc1Br 7a_100000181306_100000183359 [0,0,0,0,0,2|2,0,0]=4 6042 B13R1.528 CNC(=O)COc1ccccc1C 11a_106832991635_100000182418 [0,0,0,0,0,2|2,0,0]=4 6043 B13R1.528 CNC(=O)COc1ccccc1C 1626a_100102657272_100000182418 [0,0,0,0,0,2|2,0,0]=4 6044 B13R1.528 CNC(=O)COc1ccccc1C 240690a_100102657272_100000182418 [0,0,0,0,0,2|2,0,0]=4 6045 B13R1.528 CNC(=O)COc1ccccc1C 34a_100000210338_100000183359 [0,0,0,0,0,2|2,0,0]=4 6046 B13R1.528 CNC(=O)COc1ccccc1C 527a_100102657272_100000182418 [0,0,0,0,0,2|2,0,0]=4 6047 B13R1.528 CNC(=O)COc1ccccc1C 7a_100000210338_100000183359 [0,0,0,0,0,2|2,0,0]=4 6048 B13R1.528 CNC(=O)COc1ccccc1Cl 11a_106832991635_100000185159 [0,0,0,0,0,2|2,0,0]=4 6049 B13R1.528 CNC(=O)COc1ccccc1Cl 1626a_100102657272_100000185159 [0,0,0,0,0,2|2,0,0]=4 6050 B13R1.528 CNC(=O)COc1ccccc1Cl 240690a_100102657272_100000185159 [0,0,0,0,0,2|2,0,0]=4 6051 B13R1.528 CNC(=O)COc1ccccc1Cl 34a_100000210172_100000183359 [0,0,0,0,0,2|2,0,0]=4 6052 B13R1.528 CNC(=O)COc1ccccc1Cl 527a_100102657272_100000185159 [0,0,0,0,0,2|2,0,0]=4 6053 B13R1.528 CNC(=O)COc1ccccc1Cl 7a_100000210172_100000183359 [0,0,0,0,0,2|2,0,0]=4 6054 B13R1.528 CNC(=O)COc1ccccc1F 11a_106832991635_100000182486 [0,0,0,0,0,2|2,0,0]=4 6055 B13R1.528 CNC(=O)COc1ccccc1F 1626a_100102657272_100000182486 [0,0,0,0,0,2|2,0,0]=4 6056 B13R1.528 CNC(=O)COc1ccccc1F 240690a_100102657272_100000182486 [0,0,0,0,0,2|2,0,0]=4 6057 B13R1.528 CNC(=O)COc1ccccc1F 34a_100000210171_100000183359 [0,0,0,0,0,2|2,0,0]=4 6058 B13R1.528 CNC(=O)COc1ccccc1F 527a_100102657272_100000182486 [0,0,0,0,0,2|2,0,0]=4 6059 B13R1.528 CNC(=O)COc1ccccc1F 7a_100000210171_100000183359 [0,0,0,0,0,2|2,0,0]=4 6060 B13R1.528 CNC(=O)COc1ccccc1I 34a_100000739446_100000183359 [0,0,0,0,0,2|2,0,0]=4 6061 B13R1.528 CNC(=O)COc1ccccc1I 7a_100000739446_100000183359 [0,0,0,0,0,2|2,0,0]=4 6062 B13R1.528 CNC(=O)COc1ccccc1N 34a_100000185747_100000183359 [0,0,0,0,0,2|2,0,0]=4 6063 B13R1.528 CNC(=O)COc1ccccc1N 7a_100000185747_100000183359 [0,0,0,0,0,2|2,0,0]=4 6064 B13R1.528 CNC(=O)COc1ccccc1O 240690a_100102657272_100000183020 [0,0,0,0,0,2|1,0,0]=3 6065 B13R1.528 CNC(=O)COc1ccccc1O 271570a_203496583355_200000148481 [0,0,0,0,0,2|1,0,0]=3 6066 B13R1.528 CNC(=O)COc1ccccc1O 527a_100102657272_100000183020 [0,0,0,0,0,2|1,0,0]=3 6067 B13R1.528 CNC(=O)CSc1ccccc1Br 62a_100000183359_100000695589 [0,0,0,0,0,2|2,0,0]=4 6068 B13R1.528 CNC(=O)CSc1ccccc1Br 62a_100000695589_100000183359 [0,0,0,0,0,2|2,0,0]=4 6069 B13R1.528 CNC(=O)CSc1ccccc1C 11a_106832991635_100000183026 [0,0,0,0,0,2|2,0,0]=4 6070 B13R1.528 CNC(=O)CSc1ccccc1C 1626a_100102657272_100000183026 [0,0,0,0,0,2|2,0,0]=4 6071 B13R1.528 CNC(=O)CSc1ccccc1C 240690a_100102657272_100000183026 [0,0,0,0,0,2|2,0,0]=4 6072 B13R1.528 CNC(=O)CSc1ccccc1C 527a_100102657272_100000183026 [0,0,0,0,0,2|2,0,0]=4 6073 B13R1.528 CNC(=O)CSc1ccccc1C 62a_100000183359_100000210755 [0,0,0,0,0,2|2,0,0]=4 6074 B13R1.528 CNC(=O)CSc1ccccc1C 62a_100000210755_100000183359 [0,0,0,0,0,2|2,0,0]=4 6075 B13R1.528 CNC(=O)CSc1ccccc1Cl 62a_100000183359_100000764095 [0,0,0,0,0,2|2,0,0]=4 6076 B13R1.528 CNC(=O)CSc1ccccc1Cl 62a_100000764095_100000183359 [0,0,0,0,0,2|2,0,0]=4 6077 B13R1.528 CNC(=O)CSc1ccccc1F 11a_106832991635_100000179528 [0,0,0,0,0,2|2,0,0]=4 6078 B13R1.528 CNC(=O)CSc1ccccc1F 1626a_100102657272_100000179528 [0,0,0,0,0,2|2,0,0]=4 6079 B13R1.528 CNC(=O)CSc1ccccc1F 240690a_100102657272_100000179528 [0,0,0,0,0,2|2,0,0]=4 6080 B13R1.528 CNC(=O)CSc1ccccc1F 62a_100000183359_100011215700 [0,0,0,0,0,2|2,0,0]=4 6081 B13R1.528 CNC(=O)CSc1ccccc1F 62a_100011215700_100000183359 [0,0,0,0,0,2|2,0,0]=4 6082 B13R1.528 CNC(=O)CSc1ccccc1N 62a_100000183359_100000210017 [0,0,0,0,0,2|2,0,0]=4 6083 B13R1.528 CNC(=O)CSc1ccccc1N 62a_100000210017_100000183359 [0,0,0,0,0,2|2,0,0]=4 6084 B13R1.528 CNC(=O)CSc1ccccc1O 240690a_100102657272_100000695322 [0,0,0,0,0,2|1,0,0]=3 6085 B13R1.528 CNC(=O)CSc1ccccc1O 527a_100102657272_100000695322 [0,0,0,0,0,2|1,0,0]=3 6086 B13R1.528 CNC(=O)CSc1ccccc1O 62a_100000183359_100000739446 [0,0,0,0,0,2|1,0,0]=3 6087 B13R1.528 CNC(=O)CSc1ccccc1O 62a_100000739446_100000183359 [0,0,0,0,0,2|1,0,0]=3 6088 B13R1.528 CNC(=O)CSc1cccnc1O 62a_100000183359_100000760158 [0,0,0,0,0,2|2,0,0]=4 6089 B13R1.528 CNC(=O)CSc1cccnc1O 62a_100000760158_100000183359 [0,0,0,0,0,2|2,0,0]=4 6090 B13R1.528 CNC(=O)CSc1ccncc1O 62a_100000183359_100009817591 [0,0,0,0,0,2|2,0,0]=4 6091 B13R1.528 CNC(=O)CSc1ccncc1O 62a_100009817591_100000183359 [0,0,0,0,0,2|2,0,0]=4 6092 B13R1.528 CNC(=O)CSc1ncccc1O 62a_100000034122_100000183359 [0,0,0,0,0,2|2,0,0]=4 6093 B13R1.528 CNC(=O)CSc1ncccc1O 62a_100000183359_100000034122 [0,0,0,0,0,2|2,0,0]=4 6094 B13R1.528 CNC(=O)NCc1ccccc1Br 2708a_100000689332_106832991635 [0,0,0,0,0,2|2,0,0]=4 6095 B13R1.528 CNC(=O)NCc1ccccc1Br 2708a_100102657272_100000689332 [0,0,0,0,0,2|2,0,0]=4 6096 B13R1.528 CNC(=O)NCc1ccccc1Br 273464a_100000689332_100102657272 [0,0,0,0,0,2|2,0,0]=4 6097 B13R1.528 CNC(=O)NCc1ccccc1Br 273464a_100102657272_100000689332 [0,0,0,0,0,2|2,0,0]=4 6098 B13R1.528 CNC(=O)NCc1ccccc1Br 512a_100000689332_100102657272 [0,0,0,0,0,2|2,0,0]=4 6099 B13R1.528 CNC(=O)NCc1ccccc1Br 512a_106832991638_100000689332 [0,0,0,0,0,2|2,0,0]=4 6100 B13R1.528 CNC(=O)NCc1ccccc1C 2708a_100000174972_106832991635 [0,0,0,0,0,2|2,0,0]=4 6101 B13R1.528 CNC(=O)NCc1ccccc1C 2708a_100102657272_100000174972 [0,0,0,0,0,2|2,0,0]=4 6102 B13R1.528 CNC(=O)NCc1ccccc1C 273464a_100000174972_100102657272 [0,0,0,0,0,2|2,0,0]=4 6103 B13R1.528 CNC(=O)NCc1ccccc1C 273464a_100102657272_100000174972 [0,0,0,0,0,2|2,0,0]=4 6104 B13R1.528 CNC(=O)NCc1ccccc1C 512a_100000174972_100102657272 [0,0,0,0,0,2|2,0,0]=4 6105 B13R1.528 CNC(=O)NCc1ccccc1C 512a_106832991638_100000174972 [0,0,0,0,0,2|2,0,0]=4 6106 B13R1.528 CNC(=O)NCc1ccccc1Cl 2708a_100000174879_106832991635 [0,0,0,0,0,2|2,0,0]=4 6107 B13R1.528 CNC(=O)NCc1ccccc1Cl 2708a_100102657272_100000174879 [0,0,0,0,0,2|2,0,0]=4 6108 B13R1.528 CNC(=O)NCc1ccccc1Cl 273464a_100000174879_100102657272 [0,0,0,0,0,2|2,0,0]=4 6109 B13R1.528 CNC(=O)NCc1ccccc1Cl 273464a_100102657272_100000174879 [0,0,0,0,0,2|2,0,0]=4 6110 B13R1.528 CNC(=O)NCc1ccccc1Cl 512a_106832991638_100000174879 [0,0,0,0,0,2|2,0,0]=4 6111 B13R1.528 CNC(=O)NCc1ccccc1F 2708a_100000174869_106832991635 [0,0,0,0,0,2|2,0,0]=4 6112 B13R1.528 CNC(=O)NCc1ccccc1F 2708a_100102657272_100000174869 [0,0,0,0,0,2|2,0,0]=4 6113 B13R1.528 CNC(=O)NCc1ccccc1F 273464a_100000174869_100102657272 [0,0,0,0,0,2|2,0,0]=4 6114 B13R1.528 CNC(=O)NCc1ccccc1F 273464a_100102657272_100000174869 [0,0,0,0,0,2|2,0,0]=4 6115 B13R1.528 CNC(=O)NCc1ccccc1F 512a_100000174869_100102657272 [0,0,0,0,0,2|2,0,0]=4 6116 B13R1.528 CNC(=O)NCc1ccccc1F 512a_106832991638_100000174869 [0,0,0,0,0,2|2,0,0]=4 6117 B13R1.528 CNC(=O)NCc1ccccc1I 2708a_100015347259_106832991635 [0,0,0,0,0,2|2,0,0]=4 6118 B13R1.528 CNC(=O)NCc1ccccc1I 2708a_100102657272_100015347259 [0,0,0,0,0,2|2,0,0]=4 6119 B13R1.528 CNC(=O)NCc1ccccc1I 273464a_100015347259_100102657272 [0,0,0,0,0,2|2,0,0]=4 6120 B13R1.528 CNC(=O)NCc1ccccc1I 273464a_100102657272_100015347259 [0,0,0,0,0,2|2,0,0]=4 6121 B13R1.528 CNC(=O)NCc1ccccc1I 512a_100015347259_100102657272 [0,0,0,0,0,2|2,0,0]=4 6122 B13R1.528 CNC(=O)NCc1ccccc1I 512a_106832991638_100015347259 [0,0,0,0,0,2|2,0,0]=4 6123 B13R1.528 CNC(=O)NCc1ccccc1O 2708a_100000185550_106832991635 [0,0,0,0,0,2|1,0,0]=3 6124 B13R1.528 CNC(=O)NCc1ccccc1O 2708a_100102657272_100000185550 [0,0,0,0,0,2|1,0,0]=3 6125 B13R1.528 CNC(=O)NCc1ccccc1O 273464a_100000185550_100102657272 [0,0,0,0,0,2|1,0,0]=3 6126 B13R1.528 CNC(=O)NCc1ccccc1O 273464a_100102657272_100000185550 [0,0,0,0,0,2|1,0,0]=3 6127 B13R1.528 CNC(=O)NCc1ccccc1O 512a_100000185550_100102657272 [0,0,0,0,0,2|1,0,0]=3 6128 B13R1.528 CNC(=O)NNc1ccccc1Br 273464a_100102657272_100000241748 [0,0,0,0,0,2|2,0,0]=4 6129 B13R1.528 CNC(=O)NNc1ccccc1Br 512a_106832991638_100000241748 [0,0,0,0,0,2|2,0,0]=4 6130 B13R1.528 CNC(=O)NNc1ccccc1C 273464a_100102657272_100000184220 [0,0,0,0,0,2|2,0,0]=4 6131 B13R1.528 CNC(=O)NNc1ccccc1C 512a_106832991638_100000184220 [0,0,0,0,0,2|2,0,0]=4 6132 B13R1.528 CNC(=O)NNc1ccccc1Cl 273464a_100102657272_100000683529 [0,0,0,0,0,2|2,0,0]=4 6133 B13R1.528 CNC(=O)NNc1ccccc1Cl 512a_106832991638_100000683529 [0,0,0,0,0,2|2,0,0]=4 6134 B13R1.528 CNC(=O)NNc1ccccc1F 273464a_100102657272_100000239246 [0,0,0,0,0,2|2,0,0]=4 6135 B13R1.528 CNC(=O)NNc1ccccc1F 512a_106832991638_100000239246 [0,0,0,0,0,2|2,0,0]=4 6136 B13R1.528 CNC(=O)NNc1ccccc1I 273464a_100102657272_100011218156 [0,0,0,0,0,2|2,0,0]=4 6137 B13R1.528 CNC(=O)NNc1ccccc1I 512a_106832991638_100011218156 [0,0,0,0,0,2|2,0,0]=4 6138 B13R1.528 COC(=O)/C=C/c1ccccc1O 271570a_203496583355_100000151022 [0,0,0,0,0,2|2,0,0]=4 6139 B13R1.528 COC(=O)CCc1ccccc1O 271570a_203496583355_100009815308 [0,0,0,0,0,2|2,0,0]=4 6140 B13R1.528 COC(=O)CNc1ccccc1O 34a_100000185747_100000747449 [0,0,0,0,0,2|2,0,0]=4 6141 B13R1.528 COC(=O)COc1ccccc1O 271570a_203496583355_200000173920 [0,0,0,0,0,2|2,0,0]=4 6142 B13R1.528 COC(=O)CSc1ccccc1O 62a_100000739446_100000747449 [0,0,0,0,0,2|2,0,0]=4 6143 B13R1.528 COC(=O)CSc1ccccc1O 62a_100000747449_100000739446 [0,0,0,0,0,2|2,0,0]=4 6144 B13R1.528 Cc1ccccc1CCC(=O)CO 1458a_100000210174_100011713688 [0,0,0,0,0,2|2,0,0]=4 6145 B13R1.528 Cc1ccccc1CNC(=O)CO 240690a_100000174972_100000210174 [0,0,0,0,0,2|2,0,0]=4 6146 B13R1.528 Cc1ccccc1CNC(=O)CO 527a_100000174972_100000210174 [0,0,0,0,0,2|2,0,0]=4 6147 B13R1.528 Cc1ccccc1NNC(=O)CO 22a_100000184220_100000210174 [0,0,0,0,0,2|2,0,0]=4 6148 B13R1.528 NNC(=O)COc1ccccc1O 271570a_203496583355_100025785231 [0,0,0,0,0,2|1,0,0]=3 6149 B13R1.528 O=C(C=Cc1ccccc1O)CF 1458a_100016263591_100015361967 [0,0,0,0,0,2|2,0,0]=4 6150 B13R1.528 O=C(CF)CCc1ccccc1O 1458a_100000181328_100015361967 [0,0,0,0,0,2|2,0,0]=4 6151 B13R1.528 O=C(CF)COc1ccccc1O 1458a_100000183020_100015361967 [0,0,0,0,0,2|2,0,0]=4 6152 B13R1.528 O=C(CF)CSc1ccccc1O 1458a_100000695322_100015361967 [0,0,0,0,0,2|2,0,0]=4 6153 B13R1.528 O=C(CO)CCc1ccccc1Br 1458a_100000210174_100012161201 [0,0,0,0,0,2|2,0,0]=4 6154 B13R1.528 O=C(CO)CCc1ccccc1Cl 1458a_100000210174_100011713703 [0,0,0,0,0,2|2,0,0]=4 6155 B13R1.528 O=C(CO)CCc1ccccc1F 1458a_100000210174_100000720011 [0,0,0,0,0,2|2,0,0]=4 6156 B13R1.528 O=C(CO)CCc1ccccc1O 1458a_100000210174_100000722297 [0,0,0,0,0,2|1,0,0]=3 6157 B13R1.528 O=C(CO)NCc1ccccc1Br 240690a_100000689332_100000210174 [0,0,0,0,0,2|2,0,0]=4 6158 B13R1.528 O=C(CO)NCc1ccccc1Br 527a_100000689332_100000210174 [0,0,0,0,0,2|2,0,0]=4 6159 B13R1.528 O=C(CO)NCc1ccccc1Cl 240690a_100000174879_100000210174 [0,0,0,0,0,2|2,0,0]=4 6160 B13R1.528 O=C(CO)NCc1ccccc1Cl 527a_100000174879_100000210174 [0,0,0,0,0,2|2,0,0]=4 6161 B13R1.528 O=C(CO)NCc1ccccc1F 240690a_100000174869_100000210174 [0,0,0,0,0,2|2,0,0]=4 6162 B13R1.528 O=C(CO)NCc1ccccc1F 527a_100000174869_100000210174 [0,0,0,0,0,2|2,0,0]=4 6163 B13R1.528 O=C(CO)NCc1ccccc1I 240690a_100015347259_100000210174 [0,0,0,0,0,2|2,0,0]=4 6164 B13R1.528 O=C(CO)NCc1ccccc1I 527a_100015347259_100000210174 [0,0,0,0,0,2|2,0,0]=4 6165 B13R1.528 O=C(CO)NCc1ccccc1O 240690a_100000185550_100000210174 [0,0,0,0,0,2|1,0,0]=3 6166 B13R1.528 O=C(CO)NCc1ccccc1O 527a_100000185550_100000210174 [0,0,0,0,0,2|1,0,0]=3 6167 B13R1.528 O=C(CO)NNc1ccccc1Br 22a_100000241748_100000210174 [0,0,0,0,0,2|2,0,0]=4 6168 B13R1.528 O=C(CO)NNc1ccccc1Cl 22a_100000683529_100000210174 [0,0,0,0,0,2|2,0,0]=4 6169 B13R1.528 O=C(CO)NNc1ccccc1F 22a_100000239246_100000210174 [0,0,0,0,0,2|2,0,0]=4 6170 B13R1.528 O=C(CO)NNc1ccccc1I 22a_100011218156_100000210174 [0,0,0,0,0,2|2,0,0]=4