0 B11R1.17 C#CCNc1ccccc1Br 34a_100000210017_100000184674 [0,0,0,0,0,0|2,1,1]=4 1 B11R1.17 C#CCNc1ccccc1C 34a_100015192222_100000184674 [0,0,0,0,0,0|3,0,1]=4 2 B11R1.17 C#CCNc1ccccc1Cl 34a_100000185783_100000184674 [0,0,0,0,0,0|2,0,1]=3 3 B11R1.17 C#CCNc1ccccc1F 34a_100000210422_100000184674 [0,0,0,0,0,0|2,1,1]=4 4 B11R1.17 C#CCNc1ccccc1I 34a_100000210053_100000184674 [0,0,0,0,0,0|2,1,1]=4 5 B11R1.17 C#CCNc1ccccc1O 34a_100000185747_100000184674 [0,0,0,0,0,0|3,0,1]=4 6 B11R1.17 C#CCOc1ccccc1Br 34a_100000181306_100000184674 [0,0,0,0,0,0|2,1,1]=4 7 B11R1.17 C#CCOc1ccccc1Br 7a_100000181306_100000038162 [0,0,0,0,0,0|2,1,1]=4 8 B11R1.17 C#CCOc1ccccc1C 34a_100000210338_100000184674 [0,0,0,0,0,0|3,0,1]=4 9 B11R1.17 C#CCOc1ccccc1C 7a_100000210338_100000038162 [0,0,0,0,0,0|3,0,1]=4 10 B11R1.17 C#CCOc1ccccc1Cl 34a_100000210172_100000184674 [0,0,0,0,0,0|2,0,1]=3 11 B11R1.17 C#CCOc1ccccc1Cl 7a_100000210172_100000038162 [0,0,0,0,0,0|2,0,1]=3 12 B11R1.17 C#CCOc1ccccc1F 34a_100000210171_100000184674 [0,0,0,0,0,0|2,1,1]=4 13 B11R1.17 C#CCOc1ccccc1F 7a_100000210171_100000038162 [0,0,0,0,0,0|2,1,1]=4 14 B11R1.17 C#CCOc1ccccc1I 34a_100000739446_100000184674 [0,0,0,0,0,0|2,1,1]=4 15 B11R1.17 C#CCOc1ccccc1I 7a_100000739446_100000038162 [0,0,0,0,0,0|2,1,1]=4 16 B11R1.17 C#CCOc1ccccc1N 34a_100000185747_100000184674 [0,0,0,0,0,0|3,0,1]=4 17 B11R1.17 C#CCOc1ccccc1N 7a_100000185747_100000038162 [0,0,0,0,0,0|3,0,1]=4 18 B11R1.17 C#CCOc1cccnc1Cl 34a_100000757616_100000184674 [0,0,0,0,0,0|3,0,1]=4 19 B11R1.17 C#CCOc1cccnc1Cl 7a_100000757616_100000038162 [0,0,0,0,0,0|3,0,1]=4 20 B11R1.17 C#CCOc1ccncc1Cl 34a_100011997054_100000184674 [0,0,0,0,0,0|3,0,1]=4 21 B11R1.17 C#CCOc1cnccc1Cl 34a_100011996695_100000184674 [0,0,0,0,0,0|3,0,1]=4 22 B11R1.17 C#CCOc1ncccc1Cl 34a_100011290957_100000184674 [0,0,0,0,0,0|3,0,1]=4 23 B11R1.17 C#CCSc1ccccc1Br 62a_100000038162_100000695589 [0,0,0,0,0,0|2,1,1]=4 24 B11R1.17 C#CCSc1ccccc1C 62a_100000038162_100000210755 [0,0,0,0,0,0|3,0,1]=4 25 B11R1.17 C#CCSc1ccccc1Cl 62a_100000038162_100000764095 [0,0,0,0,0,0|2,0,1]=3 26 B11R1.17 C#CCSc1ccccc1F 62a_100000038162_100011215700 [0,0,0,0,0,0|2,1,1]=4 27 B11R1.17 C#CCSc1ccccc1N 62a_100000038162_100000210017 [0,0,0,0,0,0|3,0,1]=4 28 B11R1.17 C#CCSc1ccccc1O 62a_100000038162_100000739446 [0,0,0,0,0,0|3,0,1]=4 29 B11R1.17 C#CCSc1cccnc1Cl 62a_100000038162_100000036424 [0,0,0,0,0,0|3,0,1]=4 30 B11R1.17 C#CCSc1ccncc1Cl 62a_100000038162_100000708259 [0,0,0,0,0,0|3,0,1]=4 31 B11R1.17 C#CCSc1cnccc1Cl 62a_100000038162_100009995489 [0,0,0,0,0,0|3,0,1]=4 32 B11R1.17 C#CCSc1ncccc1Cl 62a_100000038162_100011356963 [0,0,0,0,0,0|3,0,1]=4 33 B11R1.17 C=CCNc1ccccc1Br 34a_100000210017_100015514636 [0,0,0,0,0,0|2,1,1]=4 34 B11R1.17 C=CCNc1ccccc1C 34a_100015192222_100015514636 [0,0,0,0,0,0|3,0,1]=4 35 B11R1.17 C=CCNc1ccccc1Cl 34a_100000185783_100015514636 [0,0,0,0,0,0|2,0,1]=3 36 B11R1.17 C=CCNc1ccccc1F 34a_100000210422_100015514636 [0,0,0,0,0,0|2,1,1]=4 37 B11R1.17 C=CCNc1ccccc1I 34a_100000210053_100015514636 [0,0,0,0,0,0|2,1,1]=4 38 B11R1.17 C=CCNc1ccccc1O 34a_100000185747_100015514636 [0,0,0,0,0,0|3,0,1]=4 39 B11R1.17 C=CCOc1ccccc1Br 34a_100000181306_100015514636 [0,0,0,0,0,0|2,1,1]=4 40 B11R1.17 C=CCOc1ccccc1Br 7a_100000181306_100015514636 [0,0,0,0,0,0|2,1,1]=4 41 B11R1.17 C=CCOc1ccccc1C 34a_100000210338_100015514636 [0,0,0,0,0,0|3,0,1]=4 42 B11R1.17 C=CCOc1ccccc1C 7a_100000210338_100015514636 [0,0,0,0,0,0|3,0,1]=4 43 B11R1.17 C=CCOc1ccccc1Cl 34a_100000210172_100015514636 [0,0,0,0,0,0|2,0,1]=3 44 B11R1.17 C=CCOc1ccccc1Cl 7a_100000210172_100015514636 [0,0,0,0,0,0|2,0,1]=3 45 B11R1.17 C=CCOc1ccccc1F 34a_100000210171_100015514636 [0,0,0,0,0,0|2,1,1]=4 46 B11R1.17 C=CCOc1ccccc1F 7a_100000210171_100015514636 [0,0,0,0,0,0|2,1,1]=4 47 B11R1.17 C=CCOc1ccccc1I 34a_100000739446_100015514636 [0,0,0,0,0,0|2,1,1]=4 48 B11R1.17 C=CCOc1ccccc1I 7a_100000739446_100015514636 [0,0,0,0,0,0|2,1,1]=4 49 B11R1.17 C=CCOc1ccccc1N 34a_100000185747_100015514636 [0,0,0,0,0,0|3,0,1]=4 50 B11R1.17 C=CCOc1ccccc1N 7a_100000185747_100015514636 [0,0,0,0,0,0|3,0,1]=4 51 B11R1.17 C=CCOc1cccnc1Cl 34a_100000757616_100015514636 [0,0,0,0,0,0|3,0,1]=4 52 B11R1.17 C=CCOc1cccnc1Cl 7a_100000757616_100015514636 [0,0,0,0,0,0|3,0,1]=4 53 B11R1.17 C=CCOc1ccncc1Cl 34a_100011997054_100015514636 [0,0,0,0,0,0|3,0,1]=4 54 B11R1.17 C=CCOc1cnccc1Cl 34a_100011996695_100015514636 [0,0,0,0,0,0|3,0,1]=4 55 B11R1.17 C=CCOc1ncccc1Cl 34a_100011290957_100015514636 [0,0,0,0,0,0|3,0,1]=4 56 B11R1.17 C=CCSc1ccccc1Br 62a_100000210623_100000695589 [0,0,0,0,0,0|2,1,1]=4 57 B11R1.17 C=CCSc1ccccc1Br 62a_100000695589_100000210623 [0,0,0,0,0,0|2,1,1]=4 58 B11R1.17 C=CCSc1ccccc1C 62a_100000210623_100000210755 [0,0,0,0,0,0|3,0,1]=4 59 B11R1.17 C=CCSc1ccccc1C 62a_100000210755_100000210623 [0,0,0,0,0,0|3,0,1]=4 60 B11R1.17 C=CCSc1ccccc1Cl 62a_100000210623_100000764095 [0,0,0,0,0,0|2,0,1]=3 61 B11R1.17 C=CCSc1ccccc1Cl 62a_100000764095_100000210623 [0,0,0,0,0,0|2,0,1]=3 62 B11R1.17 C=CCSc1ccccc1F 62a_100000210623_100011215700 [0,0,0,0,0,0|2,1,1]=4 63 B11R1.17 C=CCSc1ccccc1F 62a_100011215700_100000210623 [0,0,0,0,0,0|2,1,1]=4 64 B11R1.17 C=CCSc1ccccc1N 62a_100000210017_100000210623 [0,0,0,0,0,0|3,0,1]=4 65 B11R1.17 C=CCSc1ccccc1N 62a_100000210623_100000210017 [0,0,0,0,0,0|3,0,1]=4 66 B11R1.17 C=CCSc1ccccc1O 62a_100000210623_100000739446 [0,0,0,0,0,0|3,0,1]=4 67 B11R1.17 C=CCSc1ccccc1O 62a_100000739446_100000210623 [0,0,0,0,0,0|3,0,1]=4 68 B11R1.17 C=CCSc1cccnc1Cl 62a_100000036424_100000210623 [0,0,0,0,0,0|3,0,1]=4 69 B11R1.17 C=CCSc1cccnc1Cl 62a_100000210623_100000036424 [0,0,0,0,0,0|3,0,1]=4 70 B11R1.17 C=CCSc1ccncc1Cl 62a_100000210623_100000708259 [0,0,0,0,0,0|3,0,1]=4 71 B11R1.17 C=CCSc1ccncc1Cl 62a_100000708259_100000210623 [0,0,0,0,0,0|3,0,1]=4 72 B11R1.17 C=CCSc1cnccc1Cl 62a_100000210623_100009995489 [0,0,0,0,0,0|3,0,1]=4 73 B11R1.17 C=CCSc1cnccc1Cl 62a_100009995489_100000210623 [0,0,0,0,0,0|3,0,1]=4 74 B11R1.17 C=CCSc1ncccc1Cl 62a_100000210623_100011356963 [0,0,0,0,0,0|3,0,1]=4 75 B11R1.17 C=CCSc1ncccc1Cl 62a_100011356963_100000210623 [0,0,0,0,0,0|3,0,1]=4 76 B11R1.17 CC=NNc1ccccc1Br 4a_100000241748_200000210099 [0,0,0,0,0,0|3,1,0]=4 77 B11R1.17 CC=NNc1ccccc1C 4a_100000184220_200000210099 [0,0,0,0,0,0|4,0,0]=4 78 B11R1.17 CC=NNc1ccccc1Cl 4a_100000683529_200000210099 [0,0,0,0,0,0|3,0,0]=3 79 B11R1.17 CC=NNc1ccccc1F 4a_100000239246_200000210099 [0,0,0,0,0,0|3,1,0]=4 80 B11R1.17 CC=NNc1ccccc1I 4a_100011218156_200000210099 [0,0,0,0,0,0|3,1,0]=4 81 B11R1.17 CC=NNc1ncccc1Cl 4a_100000741667_200000210099 [0,0,0,0,0,0|4,0,0]=4 82 B11R1.17 CCCCc1c[nH]ccc1=O 271570a_100020621405_100009998708 [0,0,0,0,0,0|3,0,0]=3 83 B11R1.17 CCCCc1c[nH]ccc1=S 271570a_100020621405_200012280681 [0,0,0,0,0,0|3,0,0]=3 84 B11R1.17 CCCCc1ccc[nH]c1=O 271570a_100020621405_100000050042 [0,0,0,0,0,0|3,0,0]=3 85 B11R1.17 CCCCc1cccc[n+]1C 271570a_100020621405_100000212160 [0,0,0,0,0,0|3,0,0]=3 86 B11R1.17 CCCCc1cccc[n+]1[O-] 271570a_100020621405_200000042595 [0,0,0,0,0,0|3,0,0]=3 87 B11R1.17 CCCCc1ccccc1Br 271570a_100020621405_100000695589 [0,0,0,0,0,0|1,1,0]=2 88 B11R1.17 CCCCc1ccccc1C 271570a_100020621405_100000210755 [0,0,0,0,0,0|2,0,0]=2 89 B11R1.17 CCCCc1ccccc1Cl 271570a_100020621405_100000764095 [0,0,0,0,0,0|1,0,0]=1 90 B11R1.17 CCCCc1ccccc1F 271570a_100020621405_100011215700 [0,0,0,0,0,0|1,1,0]=2 91 B11R1.17 CCCCc1ccccc1N 271570a_100020621405_100000210017 [0,0,0,0,0,0|2,0,0]=2 92 B11R1.17 CCCCc1ccccc1O 271570a_100020621405_100000739446 [0,0,0,0,0,0|2,0,0]=2 93 B11R1.17 CCCCc1cccnc1Br 271570a_100020621405_100010202626 [0,0,0,0,0,0|2,1,0]=3 94 B11R1.17 CCCCc1cccnc1C 271570a_100020621405_100000751574 [0,0,0,0,0,0|3,0,0]=3 95 B11R1.17 CCCCc1cccnc1Cl 271570a_100020621405_100000036424 [0,0,0,0,0,0|2,0,0]=2 96 B11R1.17 CCCCc1cccnc1F 271570a_100020621405_100009816115 [0,0,0,0,0,0|2,1,0]=3 97 B11R1.17 CCCCc1cccnc1N 271570a_100020621405_100000045569 [0,0,0,0,0,0|3,0,0]=3 98 B11R1.17 CCCCc1ccn[nH]c1=O 271570a_100020621405_100000087129 [0,0,0,0,0,0|4,0,0]=4 99 B11R1.17 CCCCc1ccncc1Br 271570a_100020621405_100000726257 [0,0,0,0,0,0|2,1,0]=3 100 B11R1.17 CCCCc1ccncc1C 271570a_100020621405_100015191297 [0,0,0,0,0,0|3,0,0]=3 101 B11R1.17 CCCCc1ccncc1Cl 271570a_100020621405_100000708259 [0,0,0,0,0,0|2,0,0]=2 102 B11R1.17 CCCCc1ccncc1F 271570a_100020621405_100000047030 [0,0,0,0,0,0|2,1,0]=3 103 B11R1.17 CCCCc1ccncc1N 271570a_100020621405_100009815883 [0,0,0,0,0,0|3,0,0]=3 104 B11R1.17 CCCCc1ccncc1O 271570a_100020621405_100009817591 [0,0,0,0,0,0|3,0,0]=3 105 B11R1.17 CCCCc1cnccc1Br 271570a_100020621405_100010138639 [0,0,0,0,0,0|2,1,0]=3 106 B11R1.17 CCCCc1cnccc1C 271570a_100020621405_100000761580 [0,0,0,0,0,0|3,0,0]=3 107 B11R1.17 CCCCc1cnccc1Cl 271570a_100020621405_100009995489 [0,0,0,0,0,0|2,0,0]=2 108 B11R1.17 CCCCc1cnccc1F 271570a_100020621405_100009820683 [0,0,0,0,0,0|2,1,0]=3 109 B11R1.17 CCCCc1cnccc1N 271570a_100020621405_100000047001 [0,0,0,0,0,0|3,0,0]=3 110 B11R1.17 CCCCc1cncnc1Br 271570a_100020621405_200012461658 [0,0,0,0,0,0|3,1,0]=4 111 B11R1.17 CCCCc1cncnc1C 271570a_100020621405_100009819671 [0,0,0,0,0,0|4,0,0]=4 112 B11R1.17 CCCCc1cncnc1Cl 271570a_100020621405_100000758962 [0,0,0,0,0,0|3,0,0]=3 113 B11R1.17 CCCCc1cncnc1N 271570a_100020621405_100011996079 [0,0,0,0,0,0|4,0,0]=4 114 B11R1.17 CCCCc1cncnc1O 271570a_100020621405_100000751107 [0,0,0,0,0,0|4,0,0]=4 115 B11R1.17 CCCCc1cnncc1N 271570a_100020621405_100009829405 [0,0,0,0,0,0|4,0,0]=4 116 B11R1.17 CCCCc1ncc[nH]c1=O 271570a_100020621405_100000763361 [0,0,0,0,0,0|4,0,0]=4 117 B11R1.17 CCCCc1ncccc1Br 271570a_100020621405_100000696092 [0,0,0,0,0,0|2,1,0]=3 118 B11R1.17 CCCCc1ncccc1C 271570a_100020621405_100000751373 [0,0,0,0,0,0|3,0,0]=3 119 B11R1.17 CCCCc1ncccc1Cl 271570a_100020621405_100011356963 [0,0,0,0,0,0|2,0,0]=2 120 B11R1.17 CCCCc1ncccc1F 271570a_100020621405_100000685392 [0,0,0,0,0,0|2,1,0]=3 121 B11R1.17 CCCCc1ncccc1N 271570a_100020621405_100000688686 [0,0,0,0,0,0|3,0,0]=3 122 B11R1.17 CCCCc1ncccc1O 271570a_100020621405_100000034122 [0,0,0,0,0,0|3,0,0]=3 123 B11R1.17 CCCCc1nccnc1C 271570a_100020621405_100011999405 [0,0,0,0,0,0|4,0,0]=4 124 B11R1.17 CCCCc1nccnc1F 271570a_100020621405_200010125657 [0,0,0,0,0,0|3,1,0]=4 125 B11R1.17 CCCCc1nccnc1N 271570a_100020621405_100000747729 [0,0,0,0,0,0|4,0,0]=4 126 B11R1.17 CCCCc1ncncc1C 271570a_100020621405_100011998708 [0,0,0,0,0,0|4,0,0]=4 127 B11R1.17 CCCCc1ncncc1F 271570a_100020621405_100000069762 [0,0,0,0,0,0|3,1,0]=4 128 B11R1.17 CCCCc1ncncc1N 271570a_100020621405_100000709731 [0,0,0,0,0,0|4,0,0]=4 129 B11R1.17 CCCCc1ncncc1O 271570a_203496583355_200009816989 [0,0,0,0,0,0|4,0,0]=4 130 B11R1.17 CCCCc1nnccc1C 271570a_100020621405_100000089043 [0,0,0,0,0,0|4,0,0]=4 131 B11R1.17 CCCNc1ccccc1Br 34a_100000210017_100000210303 [0,0,0,0,0,0|2,1,0]=3 132 B11R1.17 CCCNc1ccccc1C 34a_100015192222_100000210303 [0,0,0,0,0,0|3,0,0]=3 133 B11R1.17 CCCNc1ccccc1Cl 34a_100000185783_100000210303 [0,0,0,0,0,0|2,0,0]=2 134 B11R1.17 CCCNc1ccccc1F 34a_100000210422_100000210303 [0,0,0,0,0,0|2,1,0]=3 135 B11R1.17 CCCNc1ccccc1I 34a_100000210053_100000210303 [0,0,0,0,0,0|2,1,0]=3 136 B11R1.17 CCCNc1ccccc1O 34a_100000185747_100000210303 [0,0,0,0,0,0|3,0,0]=3 137 B11R1.17 CCCOc1cccc[n+]1[O-] 7a_100000211761_100000210303 [0,0,0,0,0,0|4,0,0]=4 138 B11R1.17 CCCOc1ccccc1Br 34a_100000181306_100000210303 [0,0,0,0,0,0|2,1,0]=3 139 B11R1.17 CCCOc1ccccc1Br 7a_100000181306_100000210303 [0,0,0,0,0,0|2,1,0]=3 140 B11R1.17 CCCOc1ccccc1C 34a_100000210338_100000210303 [0,0,0,0,0,0|3,0,0]=3 141 B11R1.17 CCCOc1ccccc1C 7a_100000210338_100000210303 [0,0,0,0,0,0|3,0,0]=3 142 B11R1.17 CCCOc1ccccc1Cl 34a_100000210172_100000210303 [0,0,0,0,0,0|2,0,0]=2 143 B11R1.17 CCCOc1ccccc1Cl 7a_100000210172_100000210303 [0,0,0,0,0,0|2,0,0]=2 144 B11R1.17 CCCOc1ccccc1F 34a_100000210171_100000210303 [0,0,0,0,0,0|2,1,0]=3 145 B11R1.17 CCCOc1ccccc1F 7a_100000210171_100000210303 [0,0,0,0,0,0|2,1,0]=3 146 B11R1.17 CCCOc1ccccc1I 34a_100000739446_100000210303 [0,0,0,0,0,0|2,1,0]=3 147 B11R1.17 CCCOc1ccccc1I 7a_100000739446_100000210303 [0,0,0,0,0,0|2,1,0]=3 148 B11R1.17 CCCOc1ccccc1N 34a_100000185747_100000210303 [0,0,0,0,0,0|3,0,0]=3 149 B11R1.17 CCCOc1ccccc1N 7a_100000185747_100000210303 [0,0,0,0,0,0|3,0,0]=3 150 B11R1.17 CCCOc1ccccc1O 271570a_203496583355_100000174042 [0,0,0,0,0,0|3,0,0]=3 151 B11R1.17 CCCOc1cccnc1Br 34a_100000744436_100000210303 [0,0,0,0,0,0|3,1,0]=4 152 B11R1.17 CCCOc1cccnc1Br 7a_100000744436_100000210303 [0,0,0,0,0,0|3,1,0]=4 153 B11R1.17 CCCOc1cccnc1C 34a_100000745507_100000210303 [0,0,0,0,0,0|4,0,0]=4 154 B11R1.17 CCCOc1cccnc1C 7a_100000745507_100000210303 [0,0,0,0,0,0|4,0,0]=4 155 B11R1.17 CCCOc1cccnc1Cl 34a_100000757616_100000210303 [0,0,0,0,0,0|3,0,0]=3 156 B11R1.17 CCCOc1cccnc1Cl 7a_100000757616_100000210303 [0,0,0,0,0,0|3,0,0]=3 157 B11R1.17 CCCOc1cccnc1F 34a_100000061740_100000210303 [0,0,0,0,0,0|3,1,0]=4 158 B11R1.17 CCCOc1cccnc1F 7a_100000061740_100000210303 [0,0,0,0,0,0|3,1,0]=4 159 B11R1.17 CCCOc1cccnc1I 34a_100000034122_100000210303 [0,0,0,0,0,0|3,1,0]=4 160 B11R1.17 CCCOc1cccnc1I 7a_100000034122_100000210303 [0,0,0,0,0,0|3,1,0]=4 161 B11R1.17 CCCOc1cccnc1N 34a_100000211975_100000210303 [0,0,0,0,0,0|4,0,0]=4 162 B11R1.17 CCCOc1cccnc1N 7a_100000211975_100000210303 [0,0,0,0,0,0|4,0,0]=4 163 B11R1.17 CCCOc1cccoc1=O 34a_100000077404_100000210303 [0,0,0,0,0,0|4,0,0]=4 164 B11R1.17 CCCOc1cccoc1=O 7a_100000077404_100000210303 [0,0,0,0,0,0|4,0,0]=4 165 B11R1.17 CCCOc1ccncc1Br 34a_100011996408_100000210303 [0,0,0,0,0,0|3,1,0]=4 166 B11R1.17 CCCOc1ccncc1C 34a_100000694293_100000210303 [0,0,0,0,0,0|4,0,0]=4 167 B11R1.17 CCCOc1ccncc1Cl 34a_100011997054_100000210303 [0,0,0,0,0,0|3,0,0]=3 168 B11R1.17 CCCOc1ccncc1F 34a_200000081243_100000210303 [0,0,0,0,0,0|3,1,0]=4 169 B11R1.17 CCCOc1cnccc1C 34a_100011997053_100000210303 [0,0,0,0,0,0|4,0,0]=4 170 B11R1.17 CCCOc1cnccc1C 7a_100011997053_100000210303 [0,0,0,0,0,0|4,0,0]=4 171 B11R1.17 CCCOc1cnccc1Cl 34a_100011996695_100000210303 [0,0,0,0,0,0|3,0,0]=3 172 B11R1.17 CCCOc1cnccc1I 34a_100000050107_100000210303 [0,0,0,0,0,0|3,1,0]=4 173 B11R1.17 CCCOc1cnccc1N 34a_100000753702_100000210303 [0,0,0,0,0,0|4,0,0]=4 174 B11R1.17 CCCOc1coccc1=O 34a_100000060831_100000210303 [0,0,0,0,0,0|4,0,0]=4 175 B11R1.17 CCCOc1ncccc1Cl 34a_100011290957_100000210303 [0,0,0,0,0,0|3,0,0]=3 176 B11R1.17 CCCOc1ncccc1F 34a_100011219419_100000210303 [0,0,0,0,0,0|3,1,0]=4 177 B11R1.17 CCCOc1ncccc1N 34a_100000746358_100000210303 [0,0,0,0,0,0|4,0,0]=4 178 B11R1.17 CCCOc1ncccc1O 271570a_203496583355_200011465209 [0,0,0,0,0,0|4,0,0]=4 179 B11R1.17 CCCSc1c[nH]ccc1=O 62a_100000210303_100009998708 [0,0,0,0,0,0|4,0,0]=4 180 B11R1.17 CCCSc1c[nH]ccc1=O 62a_100009998708_100000210303 [0,0,0,0,0,0|4,0,0]=4 181 B11R1.17 CCCSc1c[nH]ccc1=S 62a_100000210303_200012280681 [0,0,0,0,0,0|4,0,0]=4 182 B11R1.17 CCCSc1c[nH]ccc1=S 62a_200012280681_100000210303 [0,0,0,0,0,0|4,0,0]=4 183 B11R1.17 CCCSc1cccc[n+]1C 62a_100000210303_100000212160 [0,0,0,0,0,0|4,0,0]=4 184 B11R1.17 CCCSc1cccc[n+]1[O-] 62a_100000210303_200000042595 [0,0,0,0,0,0|4,0,0]=4 185 B11R1.17 CCCSc1ccccc1Br 62a_100000210303_100000695589 [0,0,0,0,0,0|2,1,0]=3 186 B11R1.17 CCCSc1ccccc1Br 62a_100000695589_100000210303 [0,0,0,0,0,0|2,1,0]=3 187 B11R1.17 CCCSc1ccccc1C 62a_100000210303_100000210755 [0,0,0,0,0,0|3,0,0]=3 188 B11R1.17 CCCSc1ccccc1C 62a_100000210755_100000210303 [0,0,0,0,0,0|3,0,0]=3 189 B11R1.17 CCCSc1ccccc1Cl 62a_100000210303_100000764095 [0,0,0,0,0,0|2,0,0]=2 190 B11R1.17 CCCSc1ccccc1Cl 62a_100000764095_100000210303 [0,0,0,0,0,0|2,0,0]=2 191 B11R1.17 CCCSc1ccccc1F 62a_100000210303_100011215700 [0,0,0,0,0,0|2,1,0]=3 192 B11R1.17 CCCSc1ccccc1F 62a_100011215700_100000210303 [0,0,0,0,0,0|2,1,0]=3 193 B11R1.17 CCCSc1ccccc1N 62a_100000210017_100000210303 [0,0,0,0,0,0|3,0,0]=3 194 B11R1.17 CCCSc1ccccc1N 62a_100000210303_100000210017 [0,0,0,0,0,0|3,0,0]=3 195 B11R1.17 CCCSc1ccccc1O 62a_100000210303_100000739446 [0,0,0,0,0,0|3,0,0]=3 196 B11R1.17 CCCSc1ccccc1O 62a_100000739446_100000210303 [0,0,0,0,0,0|3,0,0]=3 197 B11R1.17 CCCSc1cccnc1Br 62a_100000210303_100010202626 [0,0,0,0,0,0|3,1,0]=4 198 B11R1.17 CCCSc1cccnc1Br 62a_100010202626_100000210303 [0,0,0,0,0,0|3,1,0]=4 199 B11R1.17 CCCSc1cccnc1C 62a_100000210303_100000751574 [0,0,0,0,0,0|4,0,0]=4 200 B11R1.17 CCCSc1cccnc1C 62a_100000751574_100000210303 [0,0,0,0,0,0|4,0,0]=4 201 B11R1.17 CCCSc1cccnc1Cl 62a_100000036424_100000210303 [0,0,0,0,0,0|3,0,0]=3 202 B11R1.17 CCCSc1cccnc1Cl 62a_100000210303_100000036424 [0,0,0,0,0,0|3,0,0]=3 203 B11R1.17 CCCSc1cccnc1F 62a_100000210303_100009816115 [0,0,0,0,0,0|3,1,0]=4 204 B11R1.17 CCCSc1cccnc1F 62a_100009816115_100000210303 [0,0,0,0,0,0|3,1,0]=4 205 B11R1.17 CCCSc1cccnc1N 62a_100000045569_100000210303 [0,0,0,0,0,0|4,0,0]=4 206 B11R1.17 CCCSc1cccnc1N 62a_100000210303_100000045569 [0,0,0,0,0,0|4,0,0]=4 207 B11R1.17 CCCSc1cccnc1O 62a_100000210303_100000760158 [0,0,0,0,0,0|4,0,0]=4 208 B11R1.17 CCCSc1cccnc1O 62a_100000760158_100000210303 [0,0,0,0,0,0|4,0,0]=4 209 B11R1.17 CCCSc1ccncc1Br 62a_100000210303_100000726257 [0,0,0,0,0,0|3,1,0]=4 210 B11R1.17 CCCSc1ccncc1Br 62a_100000726257_100000210303 [0,0,0,0,0,0|3,1,0]=4 211 B11R1.17 CCCSc1ccncc1C 62a_100000210303_100000765111 [0,0,0,0,0,0|4,0,0]=4 212 B11R1.17 CCCSc1ccncc1C 62a_100000765111_100000210303 [0,0,0,0,0,0|4,0,0]=4 213 B11R1.17 CCCSc1ccncc1Cl 62a_100000210303_100000708259 [0,0,0,0,0,0|3,0,0]=3 214 B11R1.17 CCCSc1ccncc1Cl 62a_100000708259_100000210303 [0,0,0,0,0,0|3,0,0]=3 215 B11R1.17 CCCSc1ccncc1F 62a_100000047030_100000210303 [0,0,0,0,0,0|3,1,0]=4 216 B11R1.17 CCCSc1ccncc1F 62a_100000210303_100000047030 [0,0,0,0,0,0|3,1,0]=4 217 B11R1.17 CCCSc1ccncc1N 62a_100000210303_100000756074 [0,0,0,0,0,0|4,0,0]=4 218 B11R1.17 CCCSc1ccncc1N 62a_100000756074_100000210303 [0,0,0,0,0,0|4,0,0]=4 219 B11R1.17 CCCSc1ccncc1O 62a_100000210303_100009817591 [0,0,0,0,0,0|4,0,0]=4 220 B11R1.17 CCCSc1ccncc1O 62a_100009817591_100000210303 [0,0,0,0,0,0|4,0,0]=4 221 B11R1.17 CCCSc1cnccc1Br 62a_100000210303_100010138639 [0,0,0,0,0,0|3,1,0]=4 222 B11R1.17 CCCSc1cnccc1Br 62a_100010138639_100000210303 [0,0,0,0,0,0|3,1,0]=4 223 B11R1.17 CCCSc1cnccc1C 62a_100000210303_100000761580 [0,0,0,0,0,0|4,0,0]=4 224 B11R1.17 CCCSc1cnccc1C 62a_100000761580_100000210303 [0,0,0,0,0,0|4,0,0]=4 225 B11R1.17 CCCSc1cnccc1Cl 62a_100000210303_100009995489 [0,0,0,0,0,0|3,0,0]=3 226 B11R1.17 CCCSc1cnccc1Cl 62a_100009995489_100000210303 [0,0,0,0,0,0|3,0,0]=3 227 B11R1.17 CCCSc1cnccc1F 62a_100000210303_100009820683 [0,0,0,0,0,0|3,1,0]=4 228 B11R1.17 CCCSc1cnccc1F 62a_100009820683_100000210303 [0,0,0,0,0,0|3,1,0]=4 229 B11R1.17 CCCSc1cnccc1N 62a_100000047001_100000210303 [0,0,0,0,0,0|4,0,0]=4 230 B11R1.17 CCCSc1cnccc1N 62a_100000210303_100000047001 [0,0,0,0,0,0|4,0,0]=4 231 B11R1.17 CCCSc1cncnc1Cl 62a_100000210303_100000758962 [0,0,0,0,0,0|4,0,0]=4 232 B11R1.17 CCCSc1cncnc1Cl 62a_100000758962_100000210303 [0,0,0,0,0,0|4,0,0]=4 233 B11R1.17 CCCSc1ncccc1Br 62a_100000210303_100000696092 [0,0,0,0,0,0|3,1,0]=4 234 B11R1.17 CCCSc1ncccc1Br 62a_100000696092_100000210303 [0,0,0,0,0,0|3,1,0]=4 235 B11R1.17 CCCSc1ncccc1C 62a_100000210303_100000751373 [0,0,0,0,0,0|4,0,0]=4 236 B11R1.17 CCCSc1ncccc1C 62a_100000751373_100000210303 [0,0,0,0,0,0|4,0,0]=4 237 B11R1.17 CCCSc1ncccc1Cl 62a_100000210303_100011356963 [0,0,0,0,0,0|3,0,0]=3 238 B11R1.17 CCCSc1ncccc1Cl 62a_100011356963_100000210303 [0,0,0,0,0,0|3,0,0]=3 239 B11R1.17 CCCSc1ncccc1F 62a_100000210303_100000685392 [0,0,0,0,0,0|3,1,0]=4 240 B11R1.17 CCCSc1ncccc1F 62a_100000685392_100000210303 [0,0,0,0,0,0|3,1,0]=4 241 B11R1.17 CCCSc1ncccc1N 62a_100000210303_100000688686 [0,0,0,0,0,0|4,0,0]=4 242 B11R1.17 CCCSc1ncccc1N 62a_100000688686_100000210303 [0,0,0,0,0,0|4,0,0]=4 243 B11R1.17 CCCSc1ncccc1O 62a_100000034122_100000210303 [0,0,0,0,0,0|4,0,0]=4 244 B11R1.17 CCCSc1ncccc1O 62a_100000210303_100000034122 [0,0,0,0,0,0|4,0,0]=4 245 B11R1.17 CCCSc1nccnc1Cl 62a_100000210303_100010886584 [0,0,0,0,0,0|4,0,0]=4 246 B11R1.17 CCCSc1nccnc1Cl 62a_100010886584_100000210303 [0,0,0,0,0,0|4,0,0]=4 247 B11R1.17 CCNCc1ccccc1Br 207a_100015525214_100000211189 [0,0,0,0,0,0|2,1,0]=3 248 B11R1.17 CCNCc1ccccc1Br 2230a_100000689332_100000210202 [0,0,0,0,0,0|2,1,0]=3 249 B11R1.17 CCNCc1ccccc1Br 2230a_100015525214_100000184730 [0,0,0,0,0,0|2,1,0]=3 250 B11R1.17 CCNCc1ccccc1Br 270004a_100015525214_100000211189 [0,0,0,0,0,0|2,1,0]=3 251 B11R1.17 CCNCc1ccccc1Br 34a_100000689332_100000210202 [0,0,0,0,0,0|2,1,0]=3 252 B11R1.17 CCNCc1ccccc1C 207a_100015525214_100000211143 [0,0,0,0,0,0|3,0,0]=3 253 B11R1.17 CCNCc1ccccc1C 2230a_100015525214_100000211839 [0,0,0,0,0,0|3,0,0]=3 254 B11R1.17 CCNCc1ccccc1C 270004a_100015525214_100000211143 [0,0,0,0,0,0|3,0,0]=3 255 B11R1.17 CCNCc1ccccc1C 34a_100000174972_100000210202 [0,0,0,0,0,0|3,0,0]=3 256 B11R1.17 CCNCc1ccccc1Cl 207a_100015525214_100000210073 [0,0,0,0,0,0|2,0,0]=2 257 B11R1.17 CCNCc1ccccc1Cl 2230a_100000174879_100000210202 [0,0,0,0,0,0|2,0,0]=2 258 B11R1.17 CCNCc1ccccc1Cl 2230a_100015525214_100000187162 [0,0,0,0,0,0|2,0,0]=2 259 B11R1.17 CCNCc1ccccc1Cl 270004a_100015525214_100000210073 [0,0,0,0,0,0|2,0,0]=2 260 B11R1.17 CCNCc1ccccc1Cl 34a_100000174879_100000210202 [0,0,0,0,0,0|2,0,0]=2 261 B11R1.17 CCNCc1ccccc1F 207a_100015525214_100000210811 [0,0,0,0,0,0|2,1,0]=3 262 B11R1.17 CCNCc1ccccc1F 2230a_100015525214_100000211605 [0,0,0,0,0,0|2,1,0]=3 263 B11R1.17 CCNCc1ccccc1F 270004a_100015525214_100000210811 [0,0,0,0,0,0|2,1,0]=3 264 B11R1.17 CCNCc1ccccc1F 34a_100000174869_100000210202 [0,0,0,0,0,0|2,1,0]=3 265 B11R1.17 CCNCc1ccccc1I 207a_100015525214_100000010305 [0,0,0,0,0,0|2,1,0]=3 266 B11R1.17 CCNCc1ccccc1I 2230a_100015525214_100011215278 [0,0,0,0,0,0|2,1,0]=3 267 B11R1.17 CCNCc1ccccc1I 270004a_100015525214_100000010305 [0,0,0,0,0,0|2,1,0]=3 268 B11R1.17 CCNCc1ccccc1O 34a_100000185550_100000210202 [0,0,0,0,0,0|3,0,0]=3 269 B11R1.17 CCNCc1cccnc1Br 2230a_100009818023_100000210202 [0,0,0,0,0,0|3,1,0]=4 270 B11R1.17 CCNCc1cccnc1Br 2230a_100015525214_100010140945 [0,0,0,0,0,0|3,1,0]=4 271 B11R1.17 CCNCc1cccnc1Br 34a_100009818023_100000210202 [0,0,0,0,0,0|3,1,0]=4 272 B11R1.17 CCNCc1cccnc1C 207a_100015525214_100000751968 [0,0,0,0,0,0|4,0,0]=4 273 B11R1.17 CCNCc1cccnc1C 2230a_100015525214_100000732876 [0,0,0,0,0,0|4,0,0]=4 274 B11R1.17 CCNCc1cccnc1C 270004a_100015525214_100000751968 [0,0,0,0,0,0|4,0,0]=4 275 B11R1.17 CCNCc1cccnc1Cl 2230a_100015189234_100000210202 [0,0,0,0,0,0|3,0,0]=3 276 B11R1.17 CCNCc1cccnc1Cl 2230a_100015525214_100000045678 [0,0,0,0,0,0|3,0,0]=3 277 B11R1.17 CCNCc1cccnc1Cl 34a_100015189234_100000210202 [0,0,0,0,0,0|3,0,0]=3 278 B11R1.17 CCNCc1cccnc1F 2230a_100015525214_100000099810 [0,0,0,0,0,0|3,1,0]=4 279 B11R1.17 CCNCc1cccnc1F 34a_100000724633_100000210202 [0,0,0,0,0,0|3,1,0]=4 280 B11R1.17 CCNCc1cccnc1O 207a_100015525214_100011998315 [0,0,0,0,0,0|4,0,0]=4 281 B11R1.17 CCNCc1cccnc1O 270004a_100015525214_100011998315 [0,0,0,0,0,0|4,0,0]=4 282 B11R1.17 CCNCc1ccncc1Br 270004a_100015525214_100000755692 [0,0,0,0,0,0|3,1,0]=4 283 B11R1.17 CCNCc1ccncc1C 2230a_100015525214_100020672808 [0,0,0,0,0,0|4,0,0]=4 284 B11R1.17 CCNCc1ccncc1Cl 207a_100015525214_100011934409 [0,0,0,0,0,0|3,0,0]=3 285 B11R1.17 CCNCc1ccncc1Cl 2230a_100015525214_100000763264 [0,0,0,0,0,0|3,0,0]=3 286 B11R1.17 CCNCc1ccncc1Cl 270004a_100015525214_100011934409 [0,0,0,0,0,0|3,0,0]=3 287 B11R1.17 CCNCc1ccncc1F 34a_100011935246_100000210202 [0,0,0,0,0,0|3,1,0]=4 288 B11R1.17 CCNCc1cnccc1Br 270004a_100015525214_100009816821 [0,0,0,0,0,0|3,1,0]=4 289 B11R1.17 CCNCc1cnccc1C 207a_100015525214_100000685662 [0,0,0,0,0,0|4,0,0]=4 290 B11R1.17 CCNCc1cnccc1C 2230a_100015525214_100000690890 [0,0,0,0,0,0|4,0,0]=4 291 B11R1.17 CCNCc1cnccc1C 270004a_100015525214_100000685662 [0,0,0,0,0,0|4,0,0]=4 292 B11R1.17 CCNCc1cnccc1Cl 270004a_100015525214_100000050567 [0,0,0,0,0,0|3,0,0]=3 293 B11R1.17 CCNCc1ncccc1Br 207a_100015525214_100011934733 [0,0,0,0,0,0|3,1,0]=4 294 B11R1.17 CCNCc1ncccc1Br 2230a_100015525214_100025702911 [0,0,0,0,0,0|3,1,0]=4 295 B11R1.17 CCNCc1ncccc1Br 270004a_100015525214_100011934733 [0,0,0,0,0,0|3,1,0]=4 296 B11R1.17 CCNCc1ncccc1C 207a_100015525214_100000698913 [0,0,0,0,0,0|4,0,0]=4 297 B11R1.17 CCNCc1ncccc1C 2230a_100015525214_100000696600 [0,0,0,0,0,0|4,0,0]=4 298 B11R1.17 CCNCc1ncccc1C 270004a_100015525214_100000698913 [0,0,0,0,0,0|4,0,0]=4 299 B11R1.17 CCNCc1ncccc1C 34a_100011223789_100000210202 [0,0,0,0,0,0|4,0,0]=4 300 B11R1.17 CCNCc1ncccc1Cl 207a_100015525214_100012001307 [0,0,0,0,0,0|3,0,0]=3 301 B11R1.17 CCNCc1ncccc1Cl 2230a_100015189233_100000210202 [0,0,0,0,0,0|3,0,0]=3 302 B11R1.17 CCNCc1ncccc1Cl 2230a_100015525214_100000099807 [0,0,0,0,0,0|3,0,0]=3 303 B11R1.17 CCNCc1ncccc1Cl 270004a_100015525214_100012001307 [0,0,0,0,0,0|3,0,0]=3 304 B11R1.17 CCNCc1ncccc1F 207a_100015525214_100011934734 [0,0,0,0,0,0|3,1,0]=4 305 B11R1.17 CCNCc1ncccc1F 2230a_100015525214_100000104219 [0,0,0,0,0,0|3,1,0]=4 306 B11R1.17 CCNCc1ncccc1F 270004a_100015525214_100011934734 [0,0,0,0,0,0|3,1,0]=4 307 B11R1.17 CCNCc1ncccc1F 34a_100000690088_100000210202 [0,0,0,0,0,0|3,1,0]=4 308 B11R1.17 CCNCc1nccnc1Cl 2230a_100000729963_100000210202 [0,0,0,0,0,0|4,0,0]=4 309 B11R1.17 CCOCc1ccccc1Br 34a_100000756307_100000210202 [0,0,0,0,0,0|2,1,0]=3 310 B11R1.17 CCOCc1ccccc1Br 34a_100121572206_100000184730 [0,0,0,0,0,0|2,1,0]=3 311 B11R1.17 CCOCc1ccccc1Br 7a_100000756307_100000210202 [0,0,0,0,0,0|2,1,0]=3 312 B11R1.17 CCOCc1ccccc1C 34a_100000698903_100000210202 [0,0,0,0,0,0|3,0,0]=3 313 B11R1.17 CCOCc1ccccc1C 34a_100121572206_100000211839 [0,0,0,0,0,0|3,0,0]=3 314 B11R1.17 CCOCc1ccccc1C 7a_100000698903_100000210202 [0,0,0,0,0,0|3,0,0]=3 315 B11R1.17 CCOCc1ccccc1Cl 34a_100000210847_100000210202 [0,0,0,0,0,0|2,0,0]=2 316 B11R1.17 CCOCc1ccccc1Cl 34a_100121572206_100000187162 [0,0,0,0,0,0|2,0,0]=2 317 B11R1.17 CCOCc1ccccc1Cl 7a_100000210847_100000210202 [0,0,0,0,0,0|2,0,0]=2 318 B11R1.17 CCOCc1ccccc1F 34a_100000211962_100000210202 [0,0,0,0,0,0|2,1,0]=3 319 B11R1.17 CCOCc1ccccc1F 34a_100121572206_100000211605 [0,0,0,0,0,0|2,1,0]=3 320 B11R1.17 CCOCc1ccccc1F 7a_100000211962_100000210202 [0,0,0,0,0,0|2,1,0]=3 321 B11R1.17 CCOCc1ccccc1I 34a_100000187465_100000210202 [0,0,0,0,0,0|2,1,0]=3 322 B11R1.17 CCOCc1ccccc1I 34a_100121572206_100011215278 [0,0,0,0,0,0|2,1,0]=3 323 B11R1.17 CCOCc1ccccc1I 7a_100000187465_100000210202 [0,0,0,0,0,0|2,1,0]=3 324 B11R1.17 CCOCc1ccccc1N 34a_100000212039_100000210202 [0,0,0,0,0,0|3,0,0]=3 325 B11R1.17 CCOCc1ccccc1O 271570a_203496583355_200011493690 [0,0,0,0,0,0|3,0,0]=3 326 B11R1.17 CCOCc1cccnc1Br 34a_100000719692_100000210202 [0,0,0,0,0,0|3,1,0]=4 327 B11R1.17 CCOCc1cccnc1Br 34a_100121572206_100010140945 [0,0,0,0,0,0|3,1,0]=4 328 B11R1.17 CCOCc1cccnc1Br 7a_100000719692_100000210202 [0,0,0,0,0,0|3,1,0]=4 329 B11R1.17 CCOCc1cccnc1C 34a_100000729262_100000210202 [0,0,0,0,0,0|4,0,0]=4 330 B11R1.17 CCOCc1cccnc1C 34a_100121572206_100000732876 [0,0,0,0,0,0|4,0,0]=4 331 B11R1.17 CCOCc1cccnc1C 7a_100000729262_100000210202 [0,0,0,0,0,0|4,0,0]=4 332 B11R1.17 CCOCc1cccnc1Cl 34a_100000748726_100000210202 [0,0,0,0,0,0|3,0,0]=3 333 B11R1.17 CCOCc1cccnc1Cl 34a_100121572206_100000045678 [0,0,0,0,0,0|3,0,0]=3 334 B11R1.17 CCOCc1cccnc1Cl 7a_100000748726_100000210202 [0,0,0,0,0,0|3,0,0]=3 335 B11R1.17 CCOCc1cccnc1F 34a_100000079888_100000210202 [0,0,0,0,0,0|3,1,0]=4 336 B11R1.17 CCOCc1cccnc1F 34a_100121572206_100000099810 [0,0,0,0,0,0|3,1,0]=4 337 B11R1.17 CCOCc1cccnc1F 7a_100000079888_100000210202 [0,0,0,0,0,0|3,1,0]=4 338 B11R1.17 CCOCc1ccncc1C 34a_100011997032_100000210202 [0,0,0,0,0,0|4,0,0]=4 339 B11R1.17 CCOCc1ccncc1C 34a_100121572206_100020672809 [0,0,0,0,0,0|4,0,0]=4 340 B11R1.17 CCOCc1ccncc1F 34a_100012172863_100000210202 [0,0,0,0,0,0|3,1,0]=4 341 B11R1.17 CCOCc1cnccc1C 34a_100011996381_100000210202 [0,0,0,0,0,0|4,0,0]=4 342 B11R1.17 CCOCc1cnccc1C 34a_100121572206_100000690890 [0,0,0,0,0,0|4,0,0]=4 343 B11R1.17 CCOCc1cnccc1Cl 34a_100000117392_100000210202 [0,0,0,0,0,0|3,0,0]=3 344 B11R1.17 CCOCc1ncccc1Br 34a_100011996772_100000210202 [0,0,0,0,0,0|3,1,0]=4 345 B11R1.17 CCOCc1ncccc1Br 34a_100121572206_100025702911 [0,0,0,0,0,0|3,1,0]=4 346 B11R1.17 CCOCc1ncccc1C 34a_100000698912_100000210202 [0,0,0,0,0,0|4,0,0]=4 347 B11R1.17 CCOCc1ncccc1C 34a_100121572206_100000696600 [0,0,0,0,0,0|4,0,0]=4 348 B11R1.17 CCOCc1ncccc1Cl 34a_100012002383_100000210202 [0,0,0,0,0,0|3,0,0]=3 349 B11R1.17 CCOCc1ncccc1F 34a_100011934865_100000210202 [0,0,0,0,0,0|3,1,0]=4 350 B11R1.17 CCOCc1ncccc1F 34a_100121572206_100000104219 [0,0,0,0,0,0|3,1,0]=4 351 B11R1.17 CCOCc1ncccc1N 34a_114873767017_100000210202 [0,0,0,0,0,0|4,0,0]=4 352 B11R1.17 CCOCc1ncccc1O 34a_100121572206_200020655725 [0,0,0,0,0,0|4,0,0]=4 353 B11R1.17 CCOCc1nccnc1Cl 34a_100000057004_100000210202 [0,0,0,0,0,0|4,0,0]=4 354 B11R1.17 CCSCc1ccccc1Br 62a_100000184730_100000210202 [0,0,0,0,0,0|2,1,0]=3 355 B11R1.17 CCSCc1ccccc1Br 62a_100000210202_100000184730 [0,0,0,0,0,0|2,1,0]=3 356 B11R1.17 CCSCc1ccccc1C 62a_100000210202_100000211839 [0,0,0,0,0,0|3,0,0]=3 357 B11R1.17 CCSCc1ccccc1C 62a_100000211839_100000210202 [0,0,0,0,0,0|3,0,0]=3 358 B11R1.17 CCSCc1ccccc1Cl 62a_100000187162_100000210202 [0,0,0,0,0,0|2,0,0]=2 359 B11R1.17 CCSCc1ccccc1Cl 62a_100000210202_100000187162 [0,0,0,0,0,0|2,0,0]=2 360 B11R1.17 CCSCc1ccccc1F 62a_100000210202_100000211605 [0,0,0,0,0,0|2,1,0]=3 361 B11R1.17 CCSCc1ccccc1F 62a_100000211605_100000210202 [0,0,0,0,0,0|2,1,0]=3 362 B11R1.17 CCSCc1ccccc1I 62a_100000210202_100011216222 [0,0,0,0,0,0|2,1,0]=3 363 B11R1.17 CCSCc1ccccc1I 62a_100011216222_100000210202 [0,0,0,0,0,0|2,1,0]=3 364 B11R1.17 CCSCc1ccccc1O 271570a_203496583355_200000173030 [0,0,0,0,0,0|3,0,0]=3 365 B11R1.17 CCSCc1cccnc1Br 62a_100000210202_100010140945 [0,0,0,0,0,0|3,1,0]=4 366 B11R1.17 CCSCc1cccnc1Br 62a_100010140945_100000210202 [0,0,0,0,0,0|3,1,0]=4 367 B11R1.17 CCSCc1cccnc1C 62a_100000210202_100000732876 [0,0,0,0,0,0|4,0,0]=4 368 B11R1.17 CCSCc1cccnc1C 62a_100000732876_100000210202 [0,0,0,0,0,0|4,0,0]=4 369 B11R1.17 CCSCc1cccnc1Cl 62a_100000045678_100000210202 [0,0,0,0,0,0|3,0,0]=3 370 B11R1.17 CCSCc1cccnc1Cl 62a_100000210202_100000045678 [0,0,0,0,0,0|3,0,0]=3 371 B11R1.17 CCSCc1cccnc1F 62a_100000099810_100000210202 [0,0,0,0,0,0|3,1,0]=4 372 B11R1.17 CCSCc1cccnc1F 62a_100000210202_100000099810 [0,0,0,0,0,0|3,1,0]=4 373 B11R1.17 CCSCc1ccncc1C 62a_100000210202_100020672808 [0,0,0,0,0,0|4,0,0]=4 374 B11R1.17 CCSCc1ccncc1C 62a_100020672808_100000210202 [0,0,0,0,0,0|4,0,0]=4 375 B11R1.17 CCSCc1ccncc1Cl 62a_100000210202_100000763264 [0,0,0,0,0,0|3,0,0]=3 376 B11R1.17 CCSCc1ccncc1Cl 62a_100000763264_100000210202 [0,0,0,0,0,0|3,0,0]=3 377 B11R1.17 CCSCc1cnccc1C 62a_100000210202_100000690890 [0,0,0,0,0,0|4,0,0]=4 378 B11R1.17 CCSCc1cnccc1C 62a_100000690890_100000210202 [0,0,0,0,0,0|4,0,0]=4 379 B11R1.17 CCSCc1ncccc1Br 62a_100000210202_100025702911 [0,0,0,0,0,0|3,1,0]=4 380 B11R1.17 CCSCc1ncccc1Br 62a_100025702911_100000210202 [0,0,0,0,0,0|3,1,0]=4 381 B11R1.17 CCSCc1ncccc1C 62a_100000210202_100000696600 [0,0,0,0,0,0|4,0,0]=4 382 B11R1.17 CCSCc1ncccc1C 62a_100000696600_100000210202 [0,0,0,0,0,0|4,0,0]=4 383 B11R1.17 CCSCc1ncccc1Cl 62a_100000099807_100000210202 [0,0,0,0,0,0|3,0,0]=3 384 B11R1.17 CCSCc1ncccc1Cl 62a_100000210202_100000099807 [0,0,0,0,0,0|3,0,0]=3 385 B11R1.17 CCSCc1ncccc1F 62a_100000104219_100000210202 [0,0,0,0,0,0|3,1,0]=4 386 B11R1.17 CCSCc1ncccc1F 62a_100000210202_100000104219 [0,0,0,0,0,0|3,1,0]=4 387 B11R1.17 CCSCc1ncccc1O 62a_100000210202_200020655725 [0,0,0,0,0,0|4,0,0]=4 388 B11R1.17 CCSCc1ncccc1O 62a_200020655725_100000210202 [0,0,0,0,0,0|4,0,0]=4 389 B11R1.17 CNCCc1ccccc1Br 2230a_100000747383_200000210301 [0,0,0,0,0,0|0,1,0]=1 390 B11R1.17 CNCCc1ccccc1Br 2230a_106832991635_100012161201 [0,0,0,0,0,0|0,1,0]=1 391 B11R1.17 CNCCc1ccccc1Br 34a_100000747383_200000210301 [0,0,0,0,0,0|0,1,0]=1 392 B11R1.17 CNCCc1ccccc1Br 34a_100102657272_100012161201 [0,0,0,0,0,0|0,1,0]=1 393 B11R1.17 CNCCc1ccccc1Br 7a_106832991635_100012161201 [0,0,0,0,0,0|0,1,0]=1 394 B11R1.17 CNCCc1ccccc1C 2230a_100000685071_200000210301 [0,0,0,0,0,0|1,0,0]=1 395 B11R1.17 CNCCc1ccccc1C 2230a_106832991635_100011713688 [0,0,0,0,0,0|1,0,0]=1 396 B11R1.17 CNCCc1ccccc1C 34a_100000685071_200000210301 [0,0,0,0,0,0|1,0,0]=1 397 B11R1.17 CNCCc1ccccc1C 34a_100102657272_100011713688 [0,0,0,0,0,0|1,0,0]=1 398 B11R1.17 CNCCc1ccccc1C 7a_106832991635_100011713688 [0,0,0,0,0,0|1,0,0]=1 399 B11R1.17 CNCCc1ccccc1Cl 2230a_100011207228_200000210301 [0,0,0,0,0,0|0,0,0]=0 400 B11R1.17 CNCCc1ccccc1Cl 2230a_106832991635_100011713703 [0,0,0,0,0,0|0,0,0]=0 401 B11R1.17 CNCCc1ccccc1Cl 270004a_106832991635_200011713468 [0,0,0,0,0,0|0,0,0]=0 402 B11R1.17 CNCCc1ccccc1Cl 34a_100011207228_200000210301 [0,0,0,0,0,0|0,0,0]=0 403 B11R1.17 CNCCc1ccccc1Cl 34a_100102657272_100011713703 [0,0,0,0,0,0|0,0,0]=0 404 B11R1.17 CNCCc1ccccc1Cl 7a_106832991635_100011713703 [0,0,0,0,0,0|0,0,0]=0 405 B11R1.17 CNCCc1ccccc1F 2230a_100000185272_200000210301 [0,0,0,0,0,0|0,1,0]=1 406 B11R1.17 CNCCc1ccccc1F 2230a_106832991635_100011713696 [0,0,0,0,0,0|0,1,0]=1 407 B11R1.17 CNCCc1ccccc1F 34a_100000185272_200000210301 [0,0,0,0,0,0|0,1,0]=1 408 B11R1.17 CNCCc1ccccc1F 34a_100102657272_100000720011 [0,0,0,0,0,0|0,1,0]=1 409 B11R1.17 CNCCc1ccccc1F 7a_106832991635_100000720011 [0,0,0,0,0,0|0,1,0]=1 410 B11R1.17 CNCCc1ccccc1O 34a_100011207237_200000210301 [0,0,0,0,0,0|1,0,0]=1 411 B11R1.17 CNCCc1ccccc1O 34a_100102657272_100000722297 [0,0,0,0,0,0|1,0,0]=1 412 B11R1.17 CNCCc1ccccc1O 7a_106832991635_100000722297 [0,0,0,0,0,0|1,0,0]=1 413 B11R1.17 CNCCn1ccccc1=O 2230a_100000687133_200000210301 [0,0,0,0,0,0|2,0,0]=2 414 B11R1.17 COCCc1ccccc1Br 34a_100000731337_200000210301 [0,0,0,0,0,0|1,1,0]=2 415 B11R1.17 COCCc1ccccc1Br 34a_100138415774_100012161201 [0,0,0,0,0,0|1,1,0]=2 416 B11R1.17 COCCc1ccccc1Br 7a_100000731337_200000210301 [0,0,0,0,0,0|1,1,0]=2 417 B11R1.17 COCCc1ccccc1C 34a_100011220023_200000210301 [0,0,0,0,0,0|2,0,0]=2 418 B11R1.17 COCCc1ccccc1C 34a_100138415774_100011713688 [0,0,0,0,0,0|2,0,0]=2 419 B11R1.17 COCCc1ccccc1C 7a_100011220023_200000210301 [0,0,0,0,0,0|2,0,0]=2 420 B11R1.17 COCCc1ccccc1Cl 34a_100011215284_200000210301 [0,0,0,0,0,0|1,0,0]=1 421 B11R1.17 COCCc1ccccc1Cl 34a_100138415774_100011713703 [0,0,0,0,0,0|1,0,0]=1 422 B11R1.17 COCCc1ccccc1Cl 7a_100011215284_200000210301 [0,0,0,0,0,0|1,0,0]=1 423 B11R1.17 COCCc1ccccc1F 34a_100000753711_200000210301 [0,0,0,0,0,0|1,1,0]=2 424 B11R1.17 COCCc1ccccc1F 34a_100138415774_100000720011 [0,0,0,0,0,0|1,1,0]=2 425 B11R1.17 COCCc1ccccc1F 7a_100000753711_200000210301 [0,0,0,0,0,0|1,1,0]=2 426 B11R1.17 COCCc1ccccc1I 34a_100010255290_200000210301 [0,0,0,0,0,0|1,1,0]=2 427 B11R1.17 COCCc1ccccc1I 7a_100010255290_200000210301 [0,0,0,0,0,0|1,1,0]=2 428 B11R1.17 COCCc1ccccc1N 34a_100011215289_200000210301 [0,0,0,0,0,0|2,0,0]=2 429 B11R1.17 COCCc1ccccc1O 34a_100138415774_100000722297 [0,0,0,0,0,0|2,0,0]=2 430 B11R1.17 COCCc1ncccc1C 34a_100011997706_200000210301 [0,0,0,0,0,0|3,0,0]=3 431 B11R1.17 COCCc1ncccc1C 7a_100011997706_200000210301 [0,0,0,0,0,0|3,0,0]=3 432 B11R1.17 COCOc1ccccc1O 271570a_203496583355_200000230759 [0,0,0,0,0,0|3,0,0]=3 433 B11R1.17 COCOc1cccnc1O 271570a_203496583355_100011935308 [0,0,0,0,0,0|4,0,0]=4 434 B11R1.17 COCSc1c[nH]ccc1=O 62a_100000766300_100009998708 [0,0,0,0,0,0|4,0,0]=4 435 B11R1.17 COCSc1c[nH]ccc1=O 62a_100009998708_100000766300 [0,0,0,0,0,0|4,0,0]=4 436 B11R1.17 COCSc1c[nH]ccc1=S 62a_100000766300_200012280681 [0,0,0,0,0,0|4,0,0]=4 437 B11R1.17 COCSc1c[nH]ccc1=S 62a_200012280681_100000766300 [0,0,0,0,0,0|4,0,0]=4 438 B11R1.17 COCSc1cccc[n+]1C 62a_100000766300_100000212160 [0,0,0,0,0,0|4,0,0]=4 439 B11R1.17 COCSc1cccc[n+]1[O-] 62a_100000766300_200000042595 [0,0,0,0,0,0|4,0,0]=4 440 B11R1.17 COCSc1ccccc1Br 62a_100000695589_100000766300 [0,0,0,0,0,0|2,1,0]=3 441 B11R1.17 COCSc1ccccc1Br 62a_100000766300_100000695589 [0,0,0,0,0,0|2,1,0]=3 442 B11R1.17 COCSc1ccccc1C 62a_100000210755_100000766300 [0,0,0,0,0,0|3,0,0]=3 443 B11R1.17 COCSc1ccccc1C 62a_100000766300_100000210755 [0,0,0,0,0,0|3,0,0]=3 444 B11R1.17 COCSc1ccccc1Cl 62a_100000764095_100000766300 [0,0,0,0,0,0|2,0,0]=2 445 B11R1.17 COCSc1ccccc1Cl 62a_100000766300_100000764095 [0,0,0,0,0,0|2,0,0]=2 446 B11R1.17 COCSc1ccccc1F 62a_100000766300_100011215700 [0,0,0,0,0,0|2,1,0]=3 447 B11R1.17 COCSc1ccccc1F 62a_100011215700_100000766300 [0,0,0,0,0,0|2,1,0]=3 448 B11R1.17 COCSc1ccccc1N 62a_100000210017_100000766300 [0,0,0,0,0,0|3,0,0]=3 449 B11R1.17 COCSc1ccccc1N 62a_100000766300_100000210017 [0,0,0,0,0,0|3,0,0]=3 450 B11R1.17 COCSc1ccccc1O 62a_100000739446_100000766300 [0,0,0,0,0,0|3,0,0]=3 451 B11R1.17 COCSc1ccccc1O 62a_100000766300_100000739446 [0,0,0,0,0,0|3,0,0]=3 452 B11R1.17 COCSc1cccnc1Br 62a_100000766300_100010202626 [0,0,0,0,0,0|3,1,0]=4 453 B11R1.17 COCSc1cccnc1Br 62a_100010202626_100000766300 [0,0,0,0,0,0|3,1,0]=4 454 B11R1.17 COCSc1cccnc1C 62a_100000751574_100000766300 [0,0,0,0,0,0|4,0,0]=4 455 B11R1.17 COCSc1cccnc1C 62a_100000766300_100000751574 [0,0,0,0,0,0|4,0,0]=4 456 B11R1.17 COCSc1cccnc1Cl 62a_100000036424_100000766300 [0,0,0,0,0,0|3,0,0]=3 457 B11R1.17 COCSc1cccnc1Cl 62a_100000766300_100000036424 [0,0,0,0,0,0|3,0,0]=3 458 B11R1.17 COCSc1cccnc1F 62a_100000766300_100009816115 [0,0,0,0,0,0|3,1,0]=4 459 B11R1.17 COCSc1cccnc1F 62a_100009816115_100000766300 [0,0,0,0,0,0|3,1,0]=4 460 B11R1.17 COCSc1cccnc1N 62a_100000045569_100000766300 [0,0,0,0,0,0|4,0,0]=4 461 B11R1.17 COCSc1cccnc1N 62a_100000766300_100000045569 [0,0,0,0,0,0|4,0,0]=4 462 B11R1.17 COCSc1cccnc1O 62a_100000760158_100000766300 [0,0,0,0,0,0|4,0,0]=4 463 B11R1.17 COCSc1cccnc1O 62a_100000766300_100000760158 [0,0,0,0,0,0|4,0,0]=4 464 B11R1.17 COCSc1ccncc1Br 62a_100000726257_100000766300 [0,0,0,0,0,0|3,1,0]=4 465 B11R1.17 COCSc1ccncc1Br 62a_100000766300_100000726257 [0,0,0,0,0,0|3,1,0]=4 466 B11R1.17 COCSc1ccncc1C 62a_100000765111_100000766300 [0,0,0,0,0,0|4,0,0]=4 467 B11R1.17 COCSc1ccncc1C 62a_100000766300_100000765111 [0,0,0,0,0,0|4,0,0]=4 468 B11R1.17 COCSc1ccncc1Cl 62a_100000708259_100000766300 [0,0,0,0,0,0|3,0,0]=3 469 B11R1.17 COCSc1ccncc1Cl 62a_100000766300_100000708259 [0,0,0,0,0,0|3,0,0]=3 470 B11R1.17 COCSc1ccncc1F 62a_100000047030_100000766300 [0,0,0,0,0,0|3,1,0]=4 471 B11R1.17 COCSc1ccncc1F 62a_100000766300_100000047030 [0,0,0,0,0,0|3,1,0]=4 472 B11R1.17 COCSc1ccncc1N 62a_100000756074_100000766300 [0,0,0,0,0,0|4,0,0]=4 473 B11R1.17 COCSc1ccncc1N 62a_100000766300_100000756074 [0,0,0,0,0,0|4,0,0]=4 474 B11R1.17 COCSc1ccncc1O 62a_100000766300_100009817591 [0,0,0,0,0,0|4,0,0]=4 475 B11R1.17 COCSc1ccncc1O 62a_100009817591_100000766300 [0,0,0,0,0,0|4,0,0]=4 476 B11R1.17 COCSc1cnccc1Br 62a_100000766300_100010138639 [0,0,0,0,0,0|3,1,0]=4 477 B11R1.17 COCSc1cnccc1Br 62a_100010138639_100000766300 [0,0,0,0,0,0|3,1,0]=4 478 B11R1.17 COCSc1cnccc1C 62a_100000761580_100000766300 [0,0,0,0,0,0|4,0,0]=4 479 B11R1.17 COCSc1cnccc1C 62a_100000766300_100000761580 [0,0,0,0,0,0|4,0,0]=4 480 B11R1.17 COCSc1cnccc1Cl 62a_100000766300_100009995489 [0,0,0,0,0,0|3,0,0]=3 481 B11R1.17 COCSc1cnccc1Cl 62a_100009995489_100000766300 [0,0,0,0,0,0|3,0,0]=3 482 B11R1.17 COCSc1cnccc1F 62a_100000766300_100009820683 [0,0,0,0,0,0|3,1,0]=4 483 B11R1.17 COCSc1cnccc1F 62a_100009820683_100000766300 [0,0,0,0,0,0|3,1,0]=4 484 B11R1.17 COCSc1cnccc1N 62a_100000047001_100000766300 [0,0,0,0,0,0|4,0,0]=4 485 B11R1.17 COCSc1cnccc1N 62a_100000766300_100000047001 [0,0,0,0,0,0|4,0,0]=4 486 B11R1.17 COCSc1cncnc1Cl 62a_100000758962_100000766300 [0,0,0,0,0,0|4,0,0]=4 487 B11R1.17 COCSc1cncnc1Cl 62a_100000766300_100000758962 [0,0,0,0,0,0|4,0,0]=4 488 B11R1.17 COCSc1ncccc1Br 62a_100000696092_100000766300 [0,0,0,0,0,0|3,1,0]=4 489 B11R1.17 COCSc1ncccc1Br 62a_100000766300_100000696092 [0,0,0,0,0,0|3,1,0]=4 490 B11R1.17 COCSc1ncccc1C 62a_100000751373_100000766300 [0,0,0,0,0,0|4,0,0]=4 491 B11R1.17 COCSc1ncccc1C 62a_100000766300_100000751373 [0,0,0,0,0,0|4,0,0]=4 492 B11R1.17 COCSc1ncccc1Cl 62a_100000766300_100011356963 [0,0,0,0,0,0|3,0,0]=3 493 B11R1.17 COCSc1ncccc1Cl 62a_100011356963_100000766300 [0,0,0,0,0,0|3,0,0]=3 494 B11R1.17 COCSc1ncccc1F 62a_100000685392_100000766300 [0,0,0,0,0,0|3,1,0]=4 495 B11R1.17 COCSc1ncccc1F 62a_100000766300_100000685392 [0,0,0,0,0,0|3,1,0]=4 496 B11R1.17 COCSc1ncccc1N 62a_100000688686_100000766300 [0,0,0,0,0,0|4,0,0]=4 497 B11R1.17 COCSc1ncccc1N 62a_100000766300_100000688686 [0,0,0,0,0,0|4,0,0]=4 498 B11R1.17 COCSc1ncccc1O 62a_100000034122_100000766300 [0,0,0,0,0,0|4,0,0]=4 499 B11R1.17 COCSc1ncccc1O 62a_100000766300_100000034122 [0,0,0,0,0,0|4,0,0]=4 500 B11R1.17 COCSc1nccnc1Cl 62a_100000766300_100010886584 [0,0,0,0,0,0|4,0,0]=4 501 B11R1.17 COCSc1nccnc1Cl 62a_100010886584_100000766300 [0,0,0,0,0,0|4,0,0]=4 502 B11R1.17 CSCCc1ccccc1Br 62a_100012161201_200000210301 [0,0,0,0,0,0|1,1,0]=2 503 B11R1.17 CSCCc1ccccc1Br 62a_200000210301_100012161201 [0,0,0,0,0,0|1,1,0]=2 504 B11R1.17 CSCCc1ccccc1C 62a_100011713688_200000210301 [0,0,0,0,0,0|2,0,0]=2 505 B11R1.17 CSCCc1ccccc1C 62a_200000210301_100011713688 [0,0,0,0,0,0|2,0,0]=2 506 B11R1.17 CSCCc1ccccc1Cl 62a_100011713703_200000210301 [0,0,0,0,0,0|1,0,0]=1 507 B11R1.17 CSCCc1ccccc1Cl 62a_200000210301_100011713703 [0,0,0,0,0,0|1,0,0]=1 508 B11R1.17 CSCCc1ccccc1F 62a_100011713696_200000210301 [0,0,0,0,0,0|1,1,0]=2 509 B11R1.17 CSCCc1ccccc1F 62a_200000210301_100011713696 [0,0,0,0,0,0|1,1,0]=2 510 B11R1.17 CSCCc1ccccc1O 62a_100000722297_200000210301 [0,0,0,0,0,0|2,0,0]=2 511 B11R1.17 CSCCc1ccccc1O 62a_200000210301_100000722297 [0,0,0,0,0,0|2,0,0]=2 512 B11R1.17 CSCNc1ccccc1Br 34a_100000210017_100011218213 [0,0,0,0,0,0|2,1,0]=3 513 B11R1.17 CSCNc1ccccc1C 34a_100015192222_100011218213 [0,0,0,0,0,0|3,0,0]=3 514 B11R1.17 CSCNc1ccccc1Cl 34a_100000185783_100011218213 [0,0,0,0,0,0|2,0,0]=2 515 B11R1.17 CSCNc1ccccc1F 34a_100000210422_100011218213 [0,0,0,0,0,0|2,1,0]=3 516 B11R1.17 CSCNc1ccccc1I 34a_100000210053_100011218213 [0,0,0,0,0,0|2,1,0]=3 517 B11R1.17 CSCNc1ccccc1O 34a_100000185747_100011218213 [0,0,0,0,0,0|3,0,0]=3 518 B11R1.17 CSCOc1ccccc1Br 34a_100000181306_100011218213 [0,0,0,0,0,0|2,1,0]=3 519 B11R1.17 CSCOc1ccccc1C 34a_100000210338_100011218213 [0,0,0,0,0,0|3,0,0]=3 520 B11R1.17 CSCOc1ccccc1Cl 34a_100000210172_100011218213 [0,0,0,0,0,0|2,0,0]=2 521 B11R1.17 CSCOc1ccccc1F 34a_100000210171_100011218213 [0,0,0,0,0,0|2,1,0]=3 522 B11R1.17 CSCOc1ccccc1I 34a_100000739446_100011218213 [0,0,0,0,0,0|2,1,0]=3 523 B11R1.17 CSCOc1ccccc1N 34a_100000185747_100011218213 [0,0,0,0,0,0|3,0,0]=3 524 B11R1.17 CSCOc1cccnc1Br 34a_100000744436_100011218213 [0,0,0,0,0,0|3,1,0]=4 525 B11R1.17 CSCOc1cccnc1C 34a_100000745507_100011218213 [0,0,0,0,0,0|4,0,0]=4 526 B11R1.17 CSCOc1cccnc1Cl 34a_100000757616_100011218213 [0,0,0,0,0,0|3,0,0]=3 527 B11R1.17 CSCOc1cccnc1F 34a_100000061740_100011218213 [0,0,0,0,0,0|3,1,0]=4 528 B11R1.17 CSCOc1cccnc1I 34a_100000034122_100011218213 [0,0,0,0,0,0|3,1,0]=4 529 B11R1.17 CSCOc1cccnc1N 34a_100000211975_100011218213 [0,0,0,0,0,0|4,0,0]=4 530 B11R1.17 CSCOc1cccoc1=O 34a_100000077404_100011218213 [0,0,0,0,0,0|4,0,0]=4 531 B11R1.17 CSCOc1ccncc1Br 34a_100011996408_100011218213 [0,0,0,0,0,0|3,1,0]=4 532 B11R1.17 CSCOc1ccncc1C 34a_100000694293_100011218213 [0,0,0,0,0,0|4,0,0]=4 533 B11R1.17 CSCOc1ccncc1Cl 34a_100011997054_100011218213 [0,0,0,0,0,0|3,0,0]=3 534 B11R1.17 CSCOc1ccncc1F 34a_200000081243_100011218213 [0,0,0,0,0,0|3,1,0]=4 535 B11R1.17 CSCOc1cnccc1C 34a_100011997053_100011218213 [0,0,0,0,0,0|4,0,0]=4 536 B11R1.17 CSCOc1cnccc1Cl 34a_100011996695_100011218213 [0,0,0,0,0,0|3,0,0]=3 537 B11R1.17 CSCOc1cnccc1I 34a_100000050107_100011218213 [0,0,0,0,0,0|3,1,0]=4 538 B11R1.17 CSCOc1cnccc1N 34a_100000753702_100011218213 [0,0,0,0,0,0|4,0,0]=4 539 B11R1.17 CSCOc1coccc1=O 34a_100000060831_100011218213 [0,0,0,0,0,0|4,0,0]=4 540 B11R1.17 CSCOc1ncccc1Cl 34a_100011290957_100011218213 [0,0,0,0,0,0|3,0,0]=3 541 B11R1.17 CSCOc1ncccc1F 34a_100011219419_100011218213 [0,0,0,0,0,0|3,1,0]=4 542 B11R1.17 CSCOc1ncccc1N 34a_100000746358_100011218213 [0,0,0,0,0,0|4,0,0]=4 543 B11R1.17 CSCSc1c[nH]ccc1=O 62a_100009998708_100011218213 [0,0,0,0,0,0|4,0,0]=4 544 B11R1.17 CSCSc1c[nH]ccc1=O 62a_100011218213_100009998708 [0,0,0,0,0,0|4,0,0]=4 545 B11R1.17 CSCSc1c[nH]ccc1=S 62a_100011218213_200012280681 [0,0,0,0,0,0|4,0,0]=4 546 B11R1.17 CSCSc1c[nH]ccc1=S 62a_200012280681_100011218213 [0,0,0,0,0,0|4,0,0]=4 547 B11R1.17 CSCSc1cccc[n+]1C 62a_100011218213_100000212160 [0,0,0,0,0,0|4,0,0]=4 548 B11R1.17 CSCSc1cccc[n+]1[O-] 62a_100011218213_200000042595 [0,0,0,0,0,0|4,0,0]=4 549 B11R1.17 CSCSc1ccccc1Br 62a_100000695589_100011218213 [0,0,0,0,0,0|2,1,0]=3 550 B11R1.17 CSCSc1ccccc1Br 62a_100011218213_100000695589 [0,0,0,0,0,0|2,1,0]=3 551 B11R1.17 CSCSc1ccccc1C 62a_100000210755_100011218213 [0,0,0,0,0,0|3,0,0]=3 552 B11R1.17 CSCSc1ccccc1C 62a_100011218213_100000210755 [0,0,0,0,0,0|3,0,0]=3 553 B11R1.17 CSCSc1ccccc1Cl 62a_100000764095_100011218213 [0,0,0,0,0,0|2,0,0]=2 554 B11R1.17 CSCSc1ccccc1Cl 62a_100011218213_100000764095 [0,0,0,0,0,0|2,0,0]=2 555 B11R1.17 CSCSc1ccccc1F 62a_100011215700_100011218213 [0,0,0,0,0,0|2,1,0]=3 556 B11R1.17 CSCSc1ccccc1F 62a_100011218213_100011215700 [0,0,0,0,0,0|2,1,0]=3 557 B11R1.17 CSCSc1ccccc1N 62a_100000210017_100011218213 [0,0,0,0,0,0|3,0,0]=3 558 B11R1.17 CSCSc1ccccc1N 62a_100011218213_100000210017 [0,0,0,0,0,0|3,0,0]=3 559 B11R1.17 CSCSc1ccccc1O 62a_100000739446_100011218213 [0,0,0,0,0,0|3,0,0]=3 560 B11R1.17 CSCSc1ccccc1O 62a_100011218213_100000739446 [0,0,0,0,0,0|3,0,0]=3 561 B11R1.17 CSCSc1cccnc1Br 62a_100010202626_100011218213 [0,0,0,0,0,0|3,1,0]=4 562 B11R1.17 CSCSc1cccnc1Br 62a_100011218213_100010202626 [0,0,0,0,0,0|3,1,0]=4 563 B11R1.17 CSCSc1cccnc1C 62a_100000751574_100011218213 [0,0,0,0,0,0|4,0,0]=4 564 B11R1.17 CSCSc1cccnc1C 62a_100011218213_100000751574 [0,0,0,0,0,0|4,0,0]=4 565 B11R1.17 CSCSc1cccnc1Cl 62a_100000036424_100011218213 [0,0,0,0,0,0|3,0,0]=3 566 B11R1.17 CSCSc1cccnc1Cl 62a_100011218213_100000036424 [0,0,0,0,0,0|3,0,0]=3 567 B11R1.17 CSCSc1cccnc1F 62a_100009816115_100011218213 [0,0,0,0,0,0|3,1,0]=4 568 B11R1.17 CSCSc1cccnc1F 62a_100011218213_100009816115 [0,0,0,0,0,0|3,1,0]=4 569 B11R1.17 CSCSc1cccnc1N 62a_100000045569_100011218213 [0,0,0,0,0,0|4,0,0]=4 570 B11R1.17 CSCSc1cccnc1N 62a_100011218213_100000045569 [0,0,0,0,0,0|4,0,0]=4 571 B11R1.17 CSCSc1cccnc1O 62a_100000760158_100011218213 [0,0,0,0,0,0|4,0,0]=4 572 B11R1.17 CSCSc1cccnc1O 62a_100011218213_100000760158 [0,0,0,0,0,0|4,0,0]=4 573 B11R1.17 CSCSc1ccncc1Br 62a_100000726257_100011218213 [0,0,0,0,0,0|3,1,0]=4 574 B11R1.17 CSCSc1ccncc1Br 62a_100011218213_100000726257 [0,0,0,0,0,0|3,1,0]=4 575 B11R1.17 CSCSc1ccncc1C 62a_100000765111_100011218213 [0,0,0,0,0,0|4,0,0]=4 576 B11R1.17 CSCSc1ccncc1C 62a_100011218213_100000765111 [0,0,0,0,0,0|4,0,0]=4 577 B11R1.17 CSCSc1ccncc1Cl 62a_100000708259_100011218213 [0,0,0,0,0,0|3,0,0]=3 578 B11R1.17 CSCSc1ccncc1Cl 62a_100011218213_100000708259 [0,0,0,0,0,0|3,0,0]=3 579 B11R1.17 CSCSc1ccncc1F 62a_100000047030_100011218213 [0,0,0,0,0,0|3,1,0]=4 580 B11R1.17 CSCSc1ccncc1F 62a_100011218213_100000047030 [0,0,0,0,0,0|3,1,0]=4 581 B11R1.17 CSCSc1ccncc1N 62a_100000756074_100011218213 [0,0,0,0,0,0|4,0,0]=4 582 B11R1.17 CSCSc1ccncc1N 62a_100011218213_100000756074 [0,0,0,0,0,0|4,0,0]=4 583 B11R1.17 CSCSc1ccncc1O 62a_100009817591_100011218213 [0,0,0,0,0,0|4,0,0]=4 584 B11R1.17 CSCSc1ccncc1O 62a_100011218213_100009817591 [0,0,0,0,0,0|4,0,0]=4 585 B11R1.17 CSCSc1cnccc1Br 62a_100010138639_100011218213 [0,0,0,0,0,0|3,1,0]=4 586 B11R1.17 CSCSc1cnccc1Br 62a_100011218213_100010138639 [0,0,0,0,0,0|3,1,0]=4 587 B11R1.17 CSCSc1cnccc1C 62a_100000761580_100011218213 [0,0,0,0,0,0|4,0,0]=4 588 B11R1.17 CSCSc1cnccc1C 62a_100011218213_100000761580 [0,0,0,0,0,0|4,0,0]=4 589 B11R1.17 CSCSc1cnccc1Cl 62a_100009995489_100011218213 [0,0,0,0,0,0|3,0,0]=3 590 B11R1.17 CSCSc1cnccc1Cl 62a_100011218213_100009995489 [0,0,0,0,0,0|3,0,0]=3 591 B11R1.17 CSCSc1cnccc1F 62a_100009820683_100011218213 [0,0,0,0,0,0|3,1,0]=4 592 B11R1.17 CSCSc1cnccc1F 62a_100011218213_100009820683 [0,0,0,0,0,0|3,1,0]=4 593 B11R1.17 CSCSc1cnccc1N 62a_100000047001_100011218213 [0,0,0,0,0,0|4,0,0]=4 594 B11R1.17 CSCSc1cnccc1N 62a_100011218213_100000047001 [0,0,0,0,0,0|4,0,0]=4 595 B11R1.17 CSCSc1cncnc1Cl 62a_100000758962_100011218213 [0,0,0,0,0,0|4,0,0]=4 596 B11R1.17 CSCSc1cncnc1Cl 62a_100011218213_100000758962 [0,0,0,0,0,0|4,0,0]=4 597 B11R1.17 CSCSc1ncccc1Br 62a_100000696092_100011218213 [0,0,0,0,0,0|3,1,0]=4 598 B11R1.17 CSCSc1ncccc1Br 62a_100011218213_100000696092 [0,0,0,0,0,0|3,1,0]=4 599 B11R1.17 CSCSc1ncccc1C 62a_100000751373_100011218213 [0,0,0,0,0,0|4,0,0]=4 600 B11R1.17 CSCSc1ncccc1C 62a_100011218213_100000751373 [0,0,0,0,0,0|4,0,0]=4 601 B11R1.17 CSCSc1ncccc1Cl 62a_100011218213_100011356963 [0,0,0,0,0,0|3,0,0]=3 602 B11R1.17 CSCSc1ncccc1Cl 62a_100011356963_100011218213 [0,0,0,0,0,0|3,0,0]=3 603 B11R1.17 CSCSc1ncccc1F 62a_100000685392_100011218213 [0,0,0,0,0,0|3,1,0]=4 604 B11R1.17 CSCSc1ncccc1F 62a_100011218213_100000685392 [0,0,0,0,0,0|3,1,0]=4 605 B11R1.17 CSCSc1ncccc1N 62a_100000688686_100011218213 [0,0,0,0,0,0|4,0,0]=4 606 B11R1.17 CSCSc1ncccc1N 62a_100011218213_100000688686 [0,0,0,0,0,0|4,0,0]=4 607 B11R1.17 CSCSc1ncccc1O 62a_100000034122_100011218213 [0,0,0,0,0,0|4,0,0]=4 608 B11R1.17 CSCSc1ncccc1O 62a_100011218213_100000034122 [0,0,0,0,0,0|4,0,0]=4 609 B11R1.17 CSCSc1nccnc1Cl 62a_100010886584_100011218213 [0,0,0,0,0,0|4,0,0]=4 610 B11R1.17 CSCSc1nccnc1Cl 62a_100011218213_100010886584 [0,0,0,0,0,0|4,0,0]=4 611 B11R1.17 Cc1ccccc1CCN[13CH3] 2230a_100000685071_200025704644 [0,0,0,0,0,0|1,0,0]=1 612 B11R1.17 Cc1ccccc1CCN[13CH3] 34a_100000685071_200025704644 [0,0,0,0,0,0|1,0,0]=1 613 B11R1.17 Cc1ccccc1CCO[13CH3] 34a_100011220023_200025704644 [0,0,0,0,0,0|2,0,0]=2 614 B11R1.17 Cc1ccccc1CCO[13CH3] 7a_100011220023_200025704644 [0,0,0,0,0,0|2,0,0]=2 615 B11R1.17 Cc1ccccc1CCS[13CH3] 62a_100011713688_200025704644 [0,0,0,0,0,0|2,0,0]=2 616 B11R1.17 Cc1ccccc1CCS[13CH3] 62a_200025704644_100011713688 [0,0,0,0,0,0|2,0,0]=2 617 B11R1.17 Cc1ccccc1CNCF 34a_100000174972_100015361967 [0,0,0,0,0,0|4,0,0]=4 618 B11R1.17 Cc1ccccc1COCF 34a_100000698903_100015361967 [0,0,0,0,0,0|4,0,0]=4 619 B11R1.17 Cc1ccccc1COCF 7a_100000698903_100015361967 [0,0,0,0,0,0|4,0,0]=4 620 B11R1.17 Cc1ccccc1CSCF 62a_100000211839_100015361967 [0,0,0,0,0,0|4,0,0]=4 621 B11R1.17 Cc1ccccc1CSCF 62a_100015361967_100000211839 [0,0,0,0,0,0|4,0,0]=4 622 B11R1.17 Cc1ccccc1NCC=O 34a_100015192222_200009817547 [0,0,0,0,0,0|4,0,0]=4 623 B11R1.17 Cc1ccccc1NCCF 34a_100015192222_100011217306 [0,0,0,0,0,0|4,0,0]=4 624 B11R1.17 Cc1ccccc1NCCO 34a_100015192222_100000211926 [0,0,0,0,0,0|4,0,0]=4 625 B11R1.17 Cc1ccccc1OCC#N 7a_100000210338_100011215382 [0,0,0,0,0,0|4,0,0]=4 626 B11R1.17 Cc1ccccc1OCC=O 34a_100000210338_200009817547 [0,0,0,0,0,0|4,0,0]=4 627 B11R1.17 Cc1ccccc1OCC=O 7a_100000210338_200015260668 [0,0,0,0,0,0|4,0,0]=4 628 B11R1.17 Cc1ccccc1OCCF 34a_100000210338_100011217306 [0,0,0,0,0,0|4,0,0]=4 629 B11R1.17 Cc1ccccc1OCCF 7a_100000210338_100011217306 [0,0,0,0,0,0|4,0,0]=4 630 B11R1.17 Cc1ccccc1OCCO 34a_100000210338_100000211926 [0,0,0,0,0,0|4,0,0]=4 631 B11R1.17 Cc1ccccc1OCCO 7a_100000210338_100000211926 [0,0,0,0,0,0|4,0,0]=4 632 B11R1.17 Cc1ccccc1SCC#N 62a_100000210755_100011215382 [0,0,0,0,0,0|4,0,0]=4 633 B11R1.17 Cc1ccccc1SCC#N 62a_100011215382_100000210755 [0,0,0,0,0,0|4,0,0]=4 634 B11R1.17 Cc1ccccc1SCC=O 62a_100000210755_200015260668 [0,0,0,0,0,0|4,0,0]=4 635 B11R1.17 Cc1ccccc1SCC=O 62a_200015260668_100000210755 [0,0,0,0,0,0|4,0,0]=4 636 B11R1.17 Cc1ccccc1SCCF 62a_100000210755_100011217306 [0,0,0,0,0,0|4,0,0]=4 637 B11R1.17 Cc1ccccc1SCCF 62a_100011217306_100000210755 [0,0,0,0,0,0|4,0,0]=4 638 B11R1.17 Cc1ccccc1SCCO 62a_100000210755_100000211926 [0,0,0,0,0,0|4,0,0]=4 639 B11R1.17 Cc1ccccc1SCCO 62a_100000211926_100000210755 [0,0,0,0,0,0|4,0,0]=4 640 B11R1.17 Cc1cccnc1CCO[13CH3] 34a_100011997706_200025704644 [0,0,0,0,0,0|3,0,0]=3 641 B11R1.17 Cc1cccnc1CCO[13CH3] 7a_100011997706_200025704644 [0,0,0,0,0,0|3,0,0]=3 642 B11R1.17 FCCNc1ccccc1Br 34a_100000210017_100011217306 [0,0,0,0,0,0|3,1,0]=4 643 B11R1.17 FCCNc1ccccc1Cl 34a_100000185783_100011217306 [0,0,0,0,0,0|3,0,0]=3 644 B11R1.17 FCCNc1ccccc1F 34a_100000210422_100011217306 [0,0,0,0,0,0|3,1,0]=4 645 B11R1.17 FCCNc1ccccc1I 34a_100000210053_100011217306 [0,0,0,0,0,0|3,1,0]=4 646 B11R1.17 FCCOc1ccccc1Br 34a_100000181306_100011217306 [0,0,0,0,0,0|3,1,0]=4 647 B11R1.17 FCCOc1ccccc1Br 7a_100000181306_100011217306 [0,0,0,0,0,0|3,1,0]=4 648 B11R1.17 FCCOc1ccccc1Cl 34a_100000210172_100011217306 [0,0,0,0,0,0|3,0,0]=3 649 B11R1.17 FCCOc1ccccc1Cl 7a_100000210172_100011217306 [0,0,0,0,0,0|3,0,0]=3 650 B11R1.17 FCCOc1ccccc1F 34a_100000210171_100011217306 [0,0,0,0,0,0|3,1,0]=4 651 B11R1.17 FCCOc1ccccc1F 7a_100000210171_100011217306 [0,0,0,0,0,0|3,1,0]=4 652 B11R1.17 FCCOc1ccccc1I 34a_100000739446_100011217306 [0,0,0,0,0,0|3,1,0]=4 653 B11R1.17 FCCOc1ccccc1I 7a_100000739446_100011217306 [0,0,0,0,0,0|3,1,0]=4 654 B11R1.17 FCCOc1cccnc1Cl 34a_100000757616_100011217306 [0,0,0,0,0,0|4,0,0]=4 655 B11R1.17 FCCOc1cccnc1Cl 7a_100000757616_100011217306 [0,0,0,0,0,0|4,0,0]=4 656 B11R1.17 FCCOc1ccncc1Cl 34a_100011997054_100011217306 [0,0,0,0,0,0|4,0,0]=4 657 B11R1.17 FCCOc1cnccc1Cl 34a_100011996695_100011217306 [0,0,0,0,0,0|4,0,0]=4 658 B11R1.17 FCCOc1ncccc1Cl 34a_100011290957_100011217306 [0,0,0,0,0,0|4,0,0]=4 659 B11R1.17 FCCSc1ccccc1Br 62a_100000695589_100011217306 [0,0,0,0,0,0|3,1,0]=4 660 B11R1.17 FCCSc1ccccc1Br 62a_100011217306_100000695589 [0,0,0,0,0,0|3,1,0]=4 661 B11R1.17 FCCSc1ccccc1Cl 62a_100000764095_100011217306 [0,0,0,0,0,0|3,0,0]=3 662 B11R1.17 FCCSc1ccccc1Cl 62a_100011217306_100000764095 [0,0,0,0,0,0|3,0,0]=3 663 B11R1.17 FCCSc1ccccc1F 62a_100011215700_100011217306 [0,0,0,0,0,0|3,1,0]=4 664 B11R1.17 FCCSc1ccccc1F 62a_100011217306_100011215700 [0,0,0,0,0,0|3,1,0]=4 665 B11R1.17 FCCSc1cccnc1Cl 62a_100000036424_100011217306 [0,0,0,0,0,0|4,0,0]=4 666 B11R1.17 FCCSc1cccnc1Cl 62a_100011217306_100000036424 [0,0,0,0,0,0|4,0,0]=4 667 B11R1.17 FCCSc1ccncc1Cl 62a_100000708259_100011217306 [0,0,0,0,0,0|4,0,0]=4 668 B11R1.17 FCCSc1ccncc1Cl 62a_100011217306_100000708259 [0,0,0,0,0,0|4,0,0]=4 669 B11R1.17 FCCSc1cnccc1Cl 62a_100009995489_100011217306 [0,0,0,0,0,0|4,0,0]=4 670 B11R1.17 FCCSc1cnccc1Cl 62a_100011217306_100009995489 [0,0,0,0,0,0|4,0,0]=4 671 B11R1.17 FCCSc1ncccc1Cl 62a_100011217306_100011356963 [0,0,0,0,0,0|4,0,0]=4 672 B11R1.17 FCCSc1ncccc1Cl 62a_100011356963_100011217306 [0,0,0,0,0,0|4,0,0]=4 673 B11R1.17 FCNCc1ccccc1Br 34a_100000689332_100015361967 [0,0,0,0,0,0|3,1,0]=4 674 B11R1.17 FCNCc1ccccc1Cl 34a_100000174879_100015361967 [0,0,0,0,0,0|3,0,0]=3 675 B11R1.17 FCNCc1ccccc1F 34a_100000174869_100015361967 [0,0,0,0,0,0|3,1,0]=4 676 B11R1.17 FCNCc1cccnc1Cl 34a_100015189234_100015361967 [0,0,0,0,0,0|4,0,0]=4 677 B11R1.17 FCOCc1ccccc1Br 34a_100000756307_100015361967 [0,0,0,0,0,0|3,1,0]=4 678 B11R1.17 FCOCc1ccccc1Br 7a_100000756307_100015361967 [0,0,0,0,0,0|3,1,0]=4 679 B11R1.17 FCOCc1ccccc1Cl 34a_100000210847_100015361967 [0,0,0,0,0,0|3,0,0]=3 680 B11R1.17 FCOCc1ccccc1Cl 7a_100000210847_100015361967 [0,0,0,0,0,0|3,0,0]=3 681 B11R1.17 FCOCc1ccccc1F 34a_100000211962_100015361967 [0,0,0,0,0,0|3,1,0]=4 682 B11R1.17 FCOCc1ccccc1F 7a_100000211962_100015361967 [0,0,0,0,0,0|3,1,0]=4 683 B11R1.17 FCOCc1ccccc1I 34a_100000187465_100015361967 [0,0,0,0,0,0|3,1,0]=4 684 B11R1.17 FCOCc1ccccc1I 7a_100000187465_100015361967 [0,0,0,0,0,0|3,1,0]=4 685 B11R1.17 FCOCc1cccnc1Cl 34a_100000748726_100015361967 [0,0,0,0,0,0|4,0,0]=4 686 B11R1.17 FCOCc1cccnc1Cl 7a_100000748726_100015361967 [0,0,0,0,0,0|4,0,0]=4 687 B11R1.17 FCOCc1cnccc1Cl 34a_100000117392_100015361967 [0,0,0,0,0,0|4,0,0]=4 688 B11R1.17 FCOCc1ncccc1Cl 34a_100012002383_100015361967 [0,0,0,0,0,0|4,0,0]=4 689 B11R1.17 FCSCc1ccccc1Br 62a_100000184730_100015361967 [0,0,0,0,0,0|3,1,0]=4 690 B11R1.17 FCSCc1ccccc1Br 62a_100015361967_100000184730 [0,0,0,0,0,0|3,1,0]=4 691 B11R1.17 FCSCc1ccccc1Cl 62a_100000187162_100015361967 [0,0,0,0,0,0|3,0,0]=3 692 B11R1.17 FCSCc1ccccc1Cl 62a_100015361967_100000187162 [0,0,0,0,0,0|3,0,0]=3 693 B11R1.17 FCSCc1ccccc1F 62a_100000211605_100015361967 [0,0,0,0,0,0|3,1,0]=4 694 B11R1.17 FCSCc1ccccc1F 62a_100015361967_100000211605 [0,0,0,0,0,0|3,1,0]=4 695 B11R1.17 FCSCc1ccccc1I 62a_100011216222_100015361967 [0,0,0,0,0,0|3,1,0]=4 696 B11R1.17 FCSCc1ccccc1I 62a_100015361967_100011216222 [0,0,0,0,0,0|3,1,0]=4 697 B11R1.17 FCSCc1cccnc1Cl 62a_100000045678_100015361967 [0,0,0,0,0,0|4,0,0]=4 698 B11R1.17 FCSCc1cccnc1Cl 62a_100015361967_100000045678 [0,0,0,0,0,0|4,0,0]=4 699 B11R1.17 FCSCc1ccncc1Cl 62a_100000763264_100015361967 [0,0,0,0,0,0|4,0,0]=4 700 B11R1.17 FCSCc1ccncc1Cl 62a_100015361967_100000763264 [0,0,0,0,0,0|4,0,0]=4 701 B11R1.17 FCSCc1ncccc1Cl 62a_100000099807_100015361967 [0,0,0,0,0,0|4,0,0]=4 702 B11R1.17 FCSCc1ncccc1Cl 62a_100015361967_100000099807 [0,0,0,0,0,0|4,0,0]=4 703 B11R1.17 N#CCOc1ccccc1Br 7a_100000181306_100011215382 [0,0,0,0,0,0|3,1,0]=4 704 B11R1.17 N#CCOc1ccccc1Cl 7a_100000210172_100011215382 [0,0,0,0,0,0|3,0,0]=3 705 B11R1.17 N#CCOc1ccccc1F 7a_100000210171_100011215382 [0,0,0,0,0,0|3,1,0]=4 706 B11R1.17 N#CCOc1ccccc1I 7a_100000739446_100011215382 [0,0,0,0,0,0|3,1,0]=4 707 B11R1.17 N#CCOc1ccccc1N 7a_100000185747_100011215382 [0,0,0,0,0,0|4,0,0]=4 708 B11R1.17 N#CCOc1ccccc1O 271570a_203496583355_200000173881 [0,0,0,0,0,0|4,0,0]=4 709 B11R1.17 N#CCOc1cccnc1Cl 7a_100000757616_100011215382 [0,0,0,0,0,0|4,0,0]=4 710 B11R1.17 N#CCSc1ccccc1Br 62a_100000695589_100011215382 [0,0,0,0,0,0|3,1,0]=4 711 B11R1.17 N#CCSc1ccccc1Br 62a_100011215382_100000695589 [0,0,0,0,0,0|3,1,0]=4 712 B11R1.17 N#CCSc1ccccc1Cl 62a_100000764095_100011215382 [0,0,0,0,0,0|3,0,0]=3 713 B11R1.17 N#CCSc1ccccc1Cl 62a_100011215382_100000764095 [0,0,0,0,0,0|3,0,0]=3 714 B11R1.17 N#CCSc1ccccc1F 62a_100011215382_100011215700 [0,0,0,0,0,0|3,1,0]=4 715 B11R1.17 N#CCSc1ccccc1F 62a_100011215700_100011215382 [0,0,0,0,0,0|3,1,0]=4 716 B11R1.17 N#CCSc1ccccc1N 62a_100000210017_100011215382 [0,0,0,0,0,0|4,0,0]=4 717 B11R1.17 N#CCSc1ccccc1N 62a_100011215382_100000210017 [0,0,0,0,0,0|4,0,0]=4 718 B11R1.17 N#CCSc1ccccc1O 62a_100000739446_100011215382 [0,0,0,0,0,0|4,0,0]=4 719 B11R1.17 N#CCSc1ccccc1O 62a_100011215382_100000739446 [0,0,0,0,0,0|4,0,0]=4 720 B11R1.17 N#CCSc1cccnc1Cl 62a_100000036424_100011215382 [0,0,0,0,0,0|4,0,0]=4 721 B11R1.17 N#CCSc1cccnc1Cl 62a_100011215382_100000036424 [0,0,0,0,0,0|4,0,0]=4 722 B11R1.17 N#CCSc1ccncc1Cl 62a_100000708259_100011215382 [0,0,0,0,0,0|4,0,0]=4 723 B11R1.17 N#CCSc1ccncc1Cl 62a_100011215382_100000708259 [0,0,0,0,0,0|4,0,0]=4 724 B11R1.17 N#CCSc1cnccc1Cl 62a_100009995489_100011215382 [0,0,0,0,0,0|4,0,0]=4 725 B11R1.17 N#CCSc1cnccc1Cl 62a_100011215382_100009995489 [0,0,0,0,0,0|4,0,0]=4 726 B11R1.17 N#CCSc1ncccc1Cl 62a_100011215382_100011356963 [0,0,0,0,0,0|4,0,0]=4 727 B11R1.17 N#CCSc1ncccc1Cl 62a_100011356963_100011215382 [0,0,0,0,0,0|4,0,0]=4 728 B11R1.17 N#CSCc1ccccc1O 271570a_203496583355_200010199460 [0,0,0,0,0,0|4,0,0]=4 729 B11R1.17 NCCOc1ccccc1O 271570a_203496583355_100000744007 [0,0,0,0,0,0|4,0,0]=4 730 B11R1.17 Nc1ccccc1COCF 34a_100000212039_100015361967 [0,0,0,0,0,0|4,0,0]=4 731 B11R1.17 Nc1ccccc1OCC=O 34a_100000185747_200009817547 [0,0,0,0,0,0|4,0,0]=4 732 B11R1.17 Nc1ccccc1OCC=O 7a_100000185747_200015260668 [0,0,0,0,0,0|4,0,0]=4 733 B11R1.17 Nc1ccccc1OCCF 34a_100000185747_100011217306 [0,0,0,0,0,0|4,0,0]=4 734 B11R1.17 Nc1ccccc1OCCF 7a_100000185747_100011217306 [0,0,0,0,0,0|4,0,0]=4 735 B11R1.17 Nc1ccccc1OCCO 34a_100000185747_100000211926 [0,0,0,0,0,0|4,0,0]=4 736 B11R1.17 Nc1ccccc1OCCO 7a_100000185747_100000211926 [0,0,0,0,0,0|4,0,0]=4 737 B11R1.17 Nc1ccccc1SCC=O 62a_100000210017_200015260668 [0,0,0,0,0,0|4,0,0]=4 738 B11R1.17 Nc1ccccc1SCC=O 62a_200015260668_100000210017 [0,0,0,0,0,0|4,0,0]=4 739 B11R1.17 Nc1ccccc1SCCF 62a_100000210017_100011217306 [0,0,0,0,0,0|4,0,0]=4 740 B11R1.17 Nc1ccccc1SCCF 62a_100011217306_100000210017 [0,0,0,0,0,0|4,0,0]=4 741 B11R1.17 Nc1ccccc1SCCO 62a_100000210017_100000211926 [0,0,0,0,0,0|4,0,0]=4 742 B11R1.17 Nc1ccccc1SCCO 62a_100000211926_100000210017 [0,0,0,0,0,0|4,0,0]=4 743 B11R1.17 O=CCCc1ccccc1O 271570a_203496583355_100011713448 [0,0,0,0,0,0|3,0,0]=3 744 B11R1.17 O=CCNc1ccccc1Br 34a_100000210017_200009817547 [0,0,0,0,0,0|3,1,0]=4 745 B11R1.17 O=CCNc1ccccc1Cl 34a_100000185783_200009817547 [0,0,0,0,0,0|3,0,0]=3 746 B11R1.17 O=CCNc1ccccc1F 34a_100000210422_200009817547 [0,0,0,0,0,0|3,1,0]=4 747 B11R1.17 O=CCNc1ccccc1I 34a_100000210053_200009817547 [0,0,0,0,0,0|3,1,0]=4 748 B11R1.17 O=CCNc1ccccc1O 34a_100000185747_200009817547 [0,0,0,0,0,0|4,0,0]=4 749 B11R1.17 O=CCOc1ccccc1Br 34a_100000181306_200009817547 [0,0,0,0,0,0|3,1,0]=4 750 B11R1.17 O=CCOc1ccccc1Br 7a_100000181306_200015260668 [0,0,0,0,0,0|3,1,0]=4 751 B11R1.17 O=CCOc1ccccc1Cl 34a_100000210172_200009817547 [0,0,0,0,0,0|3,0,0]=3 752 B11R1.17 O=CCOc1ccccc1Cl 7a_100000210172_200015260668 [0,0,0,0,0,0|3,0,0]=3 753 B11R1.17 O=CCOc1ccccc1F 34a_100000210171_200009817547 [0,0,0,0,0,0|3,1,0]=4 754 B11R1.17 O=CCOc1ccccc1F 7a_100000210171_200015260668 [0,0,0,0,0,0|3,1,0]=4 755 B11R1.17 O=CCOc1ccccc1I 34a_100000739446_200009817547 [0,0,0,0,0,0|3,1,0]=4 756 B11R1.17 O=CCOc1ccccc1I 7a_100000739446_200015260668 [0,0,0,0,0,0|3,1,0]=4 757 B11R1.17 O=CCOc1cccnc1Cl 34a_100000757616_200009817547 [0,0,0,0,0,0|4,0,0]=4 758 B11R1.17 O=CCOc1cccnc1Cl 7a_100000757616_200015260668 [0,0,0,0,0,0|4,0,0]=4 759 B11R1.17 O=CCOc1ccncc1Cl 34a_100011997054_200009817547 [0,0,0,0,0,0|4,0,0]=4 760 B11R1.17 O=CCOc1cnccc1Cl 34a_100011996695_200009817547 [0,0,0,0,0,0|4,0,0]=4 761 B11R1.17 O=CCOc1ncccc1Cl 34a_100011290957_200009817547 [0,0,0,0,0,0|4,0,0]=4 762 B11R1.17 O=CCSc1ccccc1Br 62a_100000695589_200015260668 [0,0,0,0,0,0|3,1,0]=4 763 B11R1.17 O=CCSc1ccccc1Br 62a_200015260668_100000695589 [0,0,0,0,0,0|3,1,0]=4 764 B11R1.17 O=CCSc1ccccc1Cl 62a_100000764095_200015260668 [0,0,0,0,0,0|3,0,0]=3 765 B11R1.17 O=CCSc1ccccc1Cl 62a_200015260668_100000764095 [0,0,0,0,0,0|3,0,0]=3 766 B11R1.17 O=CCSc1ccccc1F 62a_100011215700_200015260668 [0,0,0,0,0,0|3,1,0]=4 767 B11R1.17 O=CCSc1ccccc1F 62a_200015260668_100011215700 [0,0,0,0,0,0|3,1,0]=4 768 B11R1.17 O=CCSc1ccccc1O 62a_100000739446_200015260668 [0,0,0,0,0,0|4,0,0]=4 769 B11R1.17 O=CCSc1ccccc1O 62a_200015260668_100000739446 [0,0,0,0,0,0|4,0,0]=4 770 B11R1.17 O=CCSc1cccnc1Cl 62a_100000036424_200015260668 [0,0,0,0,0,0|4,0,0]=4 771 B11R1.17 O=CCSc1cccnc1Cl 62a_200015260668_100000036424 [0,0,0,0,0,0|4,0,0]=4 772 B11R1.17 O=CCSc1ccncc1Cl 62a_100000708259_200015260668 [0,0,0,0,0,0|4,0,0]=4 773 B11R1.17 O=CCSc1ccncc1Cl 62a_200015260668_100000708259 [0,0,0,0,0,0|4,0,0]=4 774 B11R1.17 O=CCSc1cnccc1Cl 62a_100009995489_200015260668 [0,0,0,0,0,0|4,0,0]=4 775 B11R1.17 O=CCSc1cnccc1Cl 62a_200015260668_100009995489 [0,0,0,0,0,0|4,0,0]=4 776 B11R1.17 O=CCSc1ncccc1Cl 62a_100011356963_200015260668 [0,0,0,0,0,0|4,0,0]=4 777 B11R1.17 O=CCSc1ncccc1Cl 62a_200015260668_100011356963 [0,0,0,0,0,0|4,0,0]=4 778 B11R1.17 OCCCc1ccccc1O 271570a_203496583355_100000699526 [0,0,0,0,0,0|3,0,0]=3 779 B11R1.17 OCCNc1ccccc1Br 34a_100000210017_100000211926 [0,0,0,0,0,0|3,1,0]=4 780 B11R1.17 OCCNc1ccccc1Cl 34a_100000185783_100000211926 [0,0,0,0,0,0|3,0,0]=3 781 B11R1.17 OCCNc1ccccc1F 34a_100000210422_100000211926 [0,0,0,0,0,0|3,1,0]=4 782 B11R1.17 OCCNc1ccccc1I 34a_100000210053_100000211926 [0,0,0,0,0,0|3,1,0]=4 783 B11R1.17 OCCNc1ccccc1O 34a_100000185747_100000211926 [0,0,0,0,0,0|4,0,0]=4 784 B11R1.17 OCCOc1ccccc1Br 34a_100000181306_100000211926 [0,0,0,0,0,0|3,1,0]=4 785 B11R1.17 OCCOc1ccccc1Br 7a_100000181306_100000211926 [0,0,0,0,0,0|3,1,0]=4 786 B11R1.17 OCCOc1ccccc1Cl 34a_100000210172_100000211926 [0,0,0,0,0,0|3,0,0]=3 787 B11R1.17 OCCOc1ccccc1Cl 7a_100000210172_100000211926 [0,0,0,0,0,0|3,0,0]=3 788 B11R1.17 OCCOc1ccccc1F 34a_100000210171_100000211926 [0,0,0,0,0,0|3,1,0]=4 789 B11R1.17 OCCOc1ccccc1F 7a_100000210171_100000211926 [0,0,0,0,0,0|3,1,0]=4 790 B11R1.17 OCCOc1ccccc1I 34a_100000739446_100000211926 [0,0,0,0,0,0|3,1,0]=4 791 B11R1.17 OCCOc1ccccc1I 7a_100000739446_100000211926 [0,0,0,0,0,0|3,1,0]=4 792 B11R1.17 OCCOc1ccccc1O 271570a_203496583355_100000230753 [0,0,0,0,0,0|4,0,0]=4 793 B11R1.17 OCCOc1cccnc1Cl 34a_100000757616_100000211926 [0,0,0,0,0,0|4,0,0]=4 794 B11R1.17 OCCOc1cccnc1Cl 7a_100000757616_100000211926 [0,0,0,0,0,0|4,0,0]=4 795 B11R1.17 OCCOc1ccncc1Cl 34a_100011997054_100000211926 [0,0,0,0,0,0|4,0,0]=4 796 B11R1.17 OCCOc1cnccc1Cl 34a_100011996695_100000211926 [0,0,0,0,0,0|4,0,0]=4 797 B11R1.17 OCCOc1ncccc1Cl 34a_100011290957_100000211926 [0,0,0,0,0,0|4,0,0]=4 798 B11R1.17 OCCSc1ccccc1Br 62a_100000211926_100000695589 [0,0,0,0,0,0|3,1,0]=4 799 B11R1.17 OCCSc1ccccc1Br 62a_100000695589_100000211926 [0,0,0,0,0,0|3,1,0]=4 800 B11R1.17 OCCSc1ccccc1Cl 62a_100000211926_100000764095 [0,0,0,0,0,0|3,0,0]=3 801 B11R1.17 OCCSc1ccccc1Cl 62a_100000764095_100000211926 [0,0,0,0,0,0|3,0,0]=3 802 B11R1.17 OCCSc1ccccc1F 62a_100000211926_100011215700 [0,0,0,0,0,0|3,1,0]=4 803 B11R1.17 OCCSc1ccccc1F 62a_100011215700_100000211926 [0,0,0,0,0,0|3,1,0]=4 804 B11R1.17 OCCSc1ccccc1O 271570a_203496583355_200000230852 [0,0,0,0,0,0|4,0,0]=4 805 B11R1.17 OCCSc1ccccc1O 62a_100000211926_100000739446 [0,0,0,0,0,0|4,0,0]=4 806 B11R1.17 OCCSc1ccccc1O 62a_100000739446_100000211926 [0,0,0,0,0,0|4,0,0]=4 807 B11R1.17 OCCSc1cccnc1Cl 62a_100000036424_100000211926 [0,0,0,0,0,0|4,0,0]=4 808 B11R1.17 OCCSc1cccnc1Cl 62a_100000211926_100000036424 [0,0,0,0,0,0|4,0,0]=4 809 B11R1.17 OCCSc1ccncc1Cl 62a_100000211926_100000708259 [0,0,0,0,0,0|4,0,0]=4 810 B11R1.17 OCCSc1ccncc1Cl 62a_100000708259_100000211926 [0,0,0,0,0,0|4,0,0]=4 811 B11R1.17 OCCSc1cnccc1Cl 62a_100000211926_100009995489 [0,0,0,0,0,0|4,0,0]=4 812 B11R1.17 OCCSc1cnccc1Cl 62a_100009995489_100000211926 [0,0,0,0,0,0|4,0,0]=4 813 B11R1.17 OCCSc1ncccc1Cl 62a_100000211926_100011356963 [0,0,0,0,0,0|4,0,0]=4 814 B11R1.17 OCCSc1ncccc1Cl 62a_100011356963_100000211926 [0,0,0,0,0,0|4,0,0]=4 815 B11R1.17 Oc1ccccc1CNCF 34a_100000185550_100015361967 [0,0,0,0,0,0|4,0,0]=4 816 B11R1.17 Oc1ccccc1NCCF 34a_100000185747_100011217306 [0,0,0,0,0,0|4,0,0]=4 817 B11R1.17 Oc1ccccc1SCCF 62a_100000739446_100011217306 [0,0,0,0,0,0|4,0,0]=4 818 B11R1.17 Oc1ccccc1SCCF 62a_100011217306_100000739446 [0,0,0,0,0,0|4,0,0]=4 819 B11R1.17 [13CH3]NCCc1ccccc1Br 2230a_100000747383_200025704644 [0,0,0,0,0,0|0,1,0]=1 820 B11R1.17 [13CH3]NCCc1ccccc1Br 34a_100000747383_200025704644 [0,0,0,0,0,0|0,1,0]=1 821 B11R1.17 [13CH3]NCCc1ccccc1Cl 2230a_100011207228_200025704644 [0,0,0,0,0,0|0,0,0]=0 822 B11R1.17 [13CH3]NCCc1ccccc1Cl 34a_100011207228_200025704644 [0,0,0,0,0,0|0,0,0]=0 823 B11R1.17 [13CH3]NCCc1ccccc1F 2230a_100000185272_200025704644 [0,0,0,0,0,0|0,1,0]=1 824 B11R1.17 [13CH3]NCCc1ccccc1F 34a_100000185272_200025704644 [0,0,0,0,0,0|0,1,0]=1 825 B11R1.17 [13CH3]NCCc1ccccc1O 34a_100011207237_200025704644 [0,0,0,0,0,0|1,0,0]=1 826 B11R1.17 [13CH3]NCCn1ccccc1=O 2230a_100000687133_200025704644 [0,0,0,0,0,0|2,0,0]=2 827 B11R1.17 [13CH3]OCCc1ccccc1Br 34a_100000731337_200025704644 [0,0,0,0,0,0|1,1,0]=2 828 B11R1.17 [13CH3]OCCc1ccccc1Br 7a_100000731337_200025704644 [0,0,0,0,0,0|1,1,0]=2 829 B11R1.17 [13CH3]OCCc1ccccc1Cl 34a_100011215284_200025704644 [0,0,0,0,0,0|1,0,0]=1 830 B11R1.17 [13CH3]OCCc1ccccc1Cl 7a_100011215284_200025704644 [0,0,0,0,0,0|1,0,0]=1 831 B11R1.17 [13CH3]OCCc1ccccc1F 34a_100000753711_200025704644 [0,0,0,0,0,0|1,1,0]=2 832 B11R1.17 [13CH3]OCCc1ccccc1F 7a_100000753711_200025704644 [0,0,0,0,0,0|1,1,0]=2 833 B11R1.17 [13CH3]OCCc1ccccc1I 34a_100010255290_200025704644 [0,0,0,0,0,0|1,1,0]=2 834 B11R1.17 [13CH3]OCCc1ccccc1I 7a_100010255290_200025704644 [0,0,0,0,0,0|1,1,0]=2 835 B11R1.17 [13CH3]OCCc1ccccc1N 34a_100011215289_200025704644 [0,0,0,0,0,0|2,0,0]=2 836 B11R1.17 [13CH3]SCCc1ccccc1Br 62a_100012161201_200025704644 [0,0,0,0,0,0|1,1,0]=2 837 B11R1.17 [13CH3]SCCc1ccccc1Br 62a_200025704644_100012161201 [0,0,0,0,0,0|1,1,0]=2 838 B11R1.17 [13CH3]SCCc1ccccc1Cl 62a_100011713703_200025704644 [0,0,0,0,0,0|1,0,0]=1 839 B11R1.17 [13CH3]SCCc1ccccc1Cl 62a_200025704644_100011713703 [0,0,0,0,0,0|1,0,0]=1 840 B11R1.17 [13CH3]SCCc1ccccc1F 62a_100011713696_200025704644 [0,0,0,0,0,0|1,1,0]=2 841 B11R1.17 [13CH3]SCCc1ccccc1F 62a_200025704644_100011713696 [0,0,0,0,0,0|1,1,0]=2 842 B11R1.17 [13CH3]SCCc1ccccc1O 62a_100000722297_200025704644 [0,0,0,0,0,0|2,0,0]=2 843 B11R1.17 [13CH3]SCCc1ccccc1O 62a_200025704644_100000722297 [0,0,0,0,0,0|2,0,0]=2 844 B10R1.4 C=C=Cc1ccccc1Cl 271570a_100015277604_100000764095 [1,0,0,0,0,0|0,0,3]=4 845 B10R1.4 C=CCc1ccccc1O 271570a_203496583355_100009828059 [1,0,0,0,0,0|1,0,2]=4 846 B10R1.4 CC=Cc1ccccc1Br 271570a_100016259895_100000695589 [1,0,0,0,0,0|0,1,2]=4 847 B10R1.4 CC=Cc1ccccc1C 271570a_100016259895_100000210755 [1,0,0,0,0,0|1,0,2]=4 848 B10R1.4 CC=Cc1ccccc1Cl 271570a_100016259895_100000764095 [1,0,0,0,0,0|0,0,2]=3 849 B10R1.4 CC=Cc1ccccc1F 271570a_100016259895_100011215700 [1,0,0,0,0,0|0,1,2]=4 850 B10R1.4 CC=Cc1ccccc1N 271570a_100016259895_100000210017 [1,0,0,0,0,0|1,0,2]=4 851 B10R1.4 CC=Cc1ccccc1O 271570a_100016259895_100000739446 [1,0,0,0,0,0|1,0,2]=4 852 B10R1.4 CC=Cc1cccnc1Cl 271570a_100016259895_100000036424 [1,0,0,0,0,0|1,0,2]=4 853 B10R1.4 CC=Cc1ccncc1Cl 271570a_100016259895_100000708259 [1,0,0,0,0,0|1,0,2]=4 854 B10R1.4 CC=Cc1cnccc1Cl 271570a_100016259895_100009995489 [1,0,0,0,0,0|1,0,2]=4 855 B10R1.4 CC=Cc1ncccc1Cl 271570a_100016259895_100011356963 [1,0,0,0,0,0|1,0,2]=4 856 B10R1.4 CCCc1ncncc1O 271570a_203496583355_100009816987 [1,0,0,0,0,0|3,0,0]=4 857 B10R1.4 CCNc1ccccc1Br 34a_100000210017_100000210202 [1,0,0,0,0,0|1,1,0]=3 858 B10R1.4 CCNc1ccccc1C 34a_100015192222_100000210202 [1,0,0,0,0,0|2,0,0]=3 859 B10R1.4 CCNc1ccccc1Cl 34a_100000185783_100000210202 [1,0,0,0,0,0|1,0,0]=2 860 B10R1.4 CCNc1ccccc1F 34a_100000210422_100000210202 [1,0,0,0,0,0|1,1,0]=3 861 B10R1.4 CCNc1ccccc1I 34a_100000210053_100000210202 [1,0,0,0,0,0|1,1,0]=3 862 B10R1.4 CCNc1ccccc1O 271570a_203496583355_114873767003 [1,0,0,0,0,0|2,0,0]=3 863 B10R1.4 CCNc1ccccc1O 34a_100000185747_100000210202 [1,0,0,0,0,0|2,0,0]=3 864 B10R1.4 CCNc1ccncc1Br 27a_100015525214_100000726257 [1,0,0,0,0,0|2,1,0]=4 865 B10R1.4 CCNc1ccncc1C 27a_100015525214_100000765111 [1,0,0,0,0,0|3,0,0]=4 866 B10R1.4 CCNc1ccncc1F 27a_100015525214_100000035921 [1,0,0,0,0,0|2,1,0]=4 867 B10R1.4 CCNc1ncccc1Br 27a_100015525214_100000696092 [1,0,0,0,0,0|2,1,0]=4 868 B10R1.4 CCOc1cccc[n+]1[O-] 7a_100000211761_100000210202 [1,0,0,0,0,0|3,0,0]=4 869 B10R1.4 CCOc1ccccc1Br 34a_100000181306_100000210202 [1,0,0,0,0,0|1,1,0]=3 870 B10R1.4 CCOc1ccccc1Br 7a_100000181306_100000210202 [1,0,0,0,0,0|1,1,0]=3 871 B10R1.4 CCOc1ccccc1C 34a_100000210338_100000210202 [1,0,0,0,0,0|2,0,0]=3 872 B10R1.4 CCOc1ccccc1C 7a_100000210338_100000210202 [1,0,0,0,0,0|2,0,0]=3 873 B10R1.4 CCOc1ccccc1Cl 34a_100000210172_100000210202 [1,0,0,0,0,0|1,0,0]=2 874 B10R1.4 CCOc1ccccc1Cl 7a_100000210172_100000210202 [1,0,0,0,0,0|1,0,0]=2 875 B10R1.4 CCOc1ccccc1F 34a_100000210171_100000210202 [1,0,0,0,0,0|1,1,0]=3 876 B10R1.4 CCOc1ccccc1F 7a_100000210171_100000210202 [1,0,0,0,0,0|1,1,0]=3 877 B10R1.4 CCOc1ccccc1I 34a_100000739446_100000210202 [1,0,0,0,0,0|1,1,0]=3 878 B10R1.4 CCOc1ccccc1I 7a_100000739446_100000210202 [1,0,0,0,0,0|1,1,0]=3 879 B10R1.4 CCOc1ccccc1N 34a_100000185747_100000210202 [1,0,0,0,0,0|2,0,0]=3 880 B10R1.4 CCOc1ccccc1N 7a_100000185747_100000210202 [1,0,0,0,0,0|2,0,0]=3 881 B10R1.4 CCOc1ccccc1O 271570a_203496583355_100000230754 [1,0,0,0,0,0|2,0,0]=3 882 B10R1.4 CCOc1cccnc1Br 34a_100000744436_100000210202 [1,0,0,0,0,0|2,1,0]=4 883 B10R1.4 CCOc1cccnc1Br 7a_100000744436_100000210202 [1,0,0,0,0,0|2,1,0]=4 884 B10R1.4 CCOc1cccnc1C 34a_100000745507_100000210202 [1,0,0,0,0,0|3,0,0]=4 885 B10R1.4 CCOc1cccnc1C 7a_100000745507_100000210202 [1,0,0,0,0,0|3,0,0]=4 886 B10R1.4 CCOc1cccnc1Cl 34a_100000757616_100000210202 [1,0,0,0,0,0|2,0,0]=3 887 B10R1.4 CCOc1cccnc1Cl 7a_100000757616_100000210202 [1,0,0,0,0,0|2,0,0]=3 888 B10R1.4 CCOc1cccnc1F 34a_100000061740_100000210202 [1,0,0,0,0,0|2,1,0]=4 889 B10R1.4 CCOc1cccnc1F 7a_100000061740_100000210202 [1,0,0,0,0,0|2,1,0]=4 890 B10R1.4 CCOc1cccnc1I 34a_100000034122_100000210202 [1,0,0,0,0,0|2,1,0]=4 891 B10R1.4 CCOc1cccnc1I 7a_100000034122_100000210202 [1,0,0,0,0,0|2,1,0]=4 892 B10R1.4 CCOc1cccnc1N 34a_100000211975_100000210202 [1,0,0,0,0,0|3,0,0]=4 893 B10R1.4 CCOc1cccnc1N 7a_100000211975_100000210202 [1,0,0,0,0,0|3,0,0]=4 894 B10R1.4 CCOc1cccnc1O 271570a_203496583355_100011597540 [1,0,0,0,0,0|3,0,0]=4 895 B10R1.4 CCOc1cccoc1=O 34a_100000077404_100000210202 [1,0,0,0,0,0|3,0,0]=4 896 B10R1.4 CCOc1cccoc1=O 7a_100000077404_100000210202 [1,0,0,0,0,0|3,0,0]=4 897 B10R1.4 CCOc1ccncc1Br 34a_100011996408_100000210202 [1,0,0,0,0,0|2,1,0]=4 898 B10R1.4 CCOc1ccncc1C 34a_100000694293_100000210202 [1,0,0,0,0,0|3,0,0]=4 899 B10R1.4 CCOc1ccncc1Cl 34a_100011997054_100000210202 [1,0,0,0,0,0|2,0,0]=3 900 B10R1.4 CCOc1ccncc1F 34a_200000081243_100000210202 [1,0,0,0,0,0|2,1,0]=4 901 B10R1.4 CCOc1cnccc1C 34a_100011997053_100000210202 [1,0,0,0,0,0|3,0,0]=4 902 B10R1.4 CCOc1cnccc1C 7a_100011997053_100000210202 [1,0,0,0,0,0|3,0,0]=4 903 B10R1.4 CCOc1cnccc1Cl 34a_100011996695_100000210202 [1,0,0,0,0,0|2,0,0]=3 904 B10R1.4 CCOc1cnccc1I 34a_100000050107_100000210202 [1,0,0,0,0,0|2,1,0]=4 905 B10R1.4 CCOc1cnccc1N 34a_100000753702_100000210202 [1,0,0,0,0,0|3,0,0]=4 906 B10R1.4 CCOc1coccc1=O 34a_100000060831_100000210202 [1,0,0,0,0,0|3,0,0]=4 907 B10R1.4 CCOc1ncccc1Cl 34a_100011290957_100000210202 [1,0,0,0,0,0|2,0,0]=3 908 B10R1.4 CCOc1ncccc1F 34a_100011219419_100000210202 [1,0,0,0,0,0|2,1,0]=4 909 B10R1.4 CCOc1ncccc1N 34a_100000746358_100000210202 [1,0,0,0,0,0|3,0,0]=4 910 B10R1.4 CCOc1ncccc1O 271570a_203496583355_100011465154 [1,0,0,0,0,0|3,0,0]=4 911 B10R1.4 CCSc1c[nH]ccc1=O 62a_100000210202_100009998708 [1,0,0,0,0,0|3,0,0]=4 912 B10R1.4 CCSc1c[nH]ccc1=O 62a_100009998708_100000210202 [1,0,0,0,0,0|3,0,0]=4 913 B10R1.4 CCSc1c[nH]ccc1=S 62a_100000210202_200012280681 [1,0,0,0,0,0|3,0,0]=4 914 B10R1.4 CCSc1c[nH]ccc1=S 62a_200012280681_100000210202 [1,0,0,0,0,0|3,0,0]=4 915 B10R1.4 CCSc1cccc[n+]1C 62a_100000210202_100000212160 [1,0,0,0,0,0|3,0,0]=4 916 B10R1.4 CCSc1cccc[n+]1[O-] 62a_100000210202_200000042595 [1,0,0,0,0,0|3,0,0]=4 917 B10R1.4 CCSc1ccccc1Br 62a_100000210202_100000695589 [1,0,0,0,0,0|1,1,0]=3 918 B10R1.4 CCSc1ccccc1Br 62a_100000695589_100000210202 [1,0,0,0,0,0|1,1,0]=3 919 B10R1.4 CCSc1ccccc1C 62a_100000210202_100000210755 [1,0,0,0,0,0|2,0,0]=3 920 B10R1.4 CCSc1ccccc1C 62a_100000210755_100000210202 [1,0,0,0,0,0|2,0,0]=3 921 B10R1.4 CCSc1ccccc1Cl 62a_100000210202_100000764095 [1,0,0,0,0,0|1,0,0]=2 922 B10R1.4 CCSc1ccccc1Cl 62a_100000764095_100000210202 [1,0,0,0,0,0|1,0,0]=2 923 B10R1.4 CCSc1ccccc1F 62a_100000210202_100011215700 [1,0,0,0,0,0|1,1,0]=3 924 B10R1.4 CCSc1ccccc1F 62a_100011215700_100000210202 [1,0,0,0,0,0|1,1,0]=3 925 B10R1.4 CCSc1ccccc1N 62a_100000210017_100000210202 [1,0,0,0,0,0|2,0,0]=3 926 B10R1.4 CCSc1ccccc1N 62a_100000210202_100000210017 [1,0,0,0,0,0|2,0,0]=3 927 B10R1.4 CCSc1ccccc1O 271570a_203496583355_100000230856 [1,0,0,0,0,0|2,0,0]=3 928 B10R1.4 CCSc1ccccc1O 62a_100000210202_100000739446 [1,0,0,0,0,0|2,0,0]=3 929 B10R1.4 CCSc1ccccc1O 62a_100000739446_100000210202 [1,0,0,0,0,0|2,0,0]=3 930 B10R1.4 CCSc1cccnc1Br 62a_100000210202_100010202626 [1,0,0,0,0,0|2,1,0]=4 931 B10R1.4 CCSc1cccnc1Br 62a_100010202626_100000210202 [1,0,0,0,0,0|2,1,0]=4 932 B10R1.4 CCSc1cccnc1C 62a_100000210202_100000751574 [1,0,0,0,0,0|3,0,0]=4 933 B10R1.4 CCSc1cccnc1C 62a_100000751574_100000210202 [1,0,0,0,0,0|3,0,0]=4 934 B10R1.4 CCSc1cccnc1Cl 62a_100000036424_100000210202 [1,0,0,0,0,0|2,0,0]=3 935 B10R1.4 CCSc1cccnc1Cl 62a_100000210202_100000036424 [1,0,0,0,0,0|2,0,0]=3 936 B10R1.4 CCSc1cccnc1F 62a_100000210202_100009816115 [1,0,0,0,0,0|2,1,0]=4 937 B10R1.4 CCSc1cccnc1F 62a_100009816115_100000210202 [1,0,0,0,0,0|2,1,0]=4 938 B10R1.4 CCSc1cccnc1N 62a_100000045569_100000210202 [1,0,0,0,0,0|3,0,0]=4 939 B10R1.4 CCSc1cccnc1N 62a_100000210202_100000045569 [1,0,0,0,0,0|3,0,0]=4 940 B10R1.4 CCSc1cccnc1O 62a_100000210202_100000760158 [1,0,0,0,0,0|3,0,0]=4 941 B10R1.4 CCSc1cccnc1O 62a_100000760158_100000210202 [1,0,0,0,0,0|3,0,0]=4 942 B10R1.4 CCSc1ccncc1Br 62a_100000210202_100000726257 [1,0,0,0,0,0|2,1,0]=4 943 B10R1.4 CCSc1ccncc1Br 62a_100000726257_100000210202 [1,0,0,0,0,0|2,1,0]=4 944 B10R1.4 CCSc1ccncc1C 62a_100000210202_100000765111 [1,0,0,0,0,0|3,0,0]=4 945 B10R1.4 CCSc1ccncc1C 62a_100000765111_100000210202 [1,0,0,0,0,0|3,0,0]=4 946 B10R1.4 CCSc1ccncc1Cl 62a_100000210202_100000708259 [1,0,0,0,0,0|2,0,0]=3 947 B10R1.4 CCSc1ccncc1Cl 62a_100000708259_100000210202 [1,0,0,0,0,0|2,0,0]=3 948 B10R1.4 CCSc1ccncc1F 62a_100000047030_100000210202 [1,0,0,0,0,0|2,1,0]=4 949 B10R1.4 CCSc1ccncc1F 62a_100000210202_100000047030 [1,0,0,0,0,0|2,1,0]=4 950 B10R1.4 CCSc1ccncc1N 62a_100000210202_100000756074 [1,0,0,0,0,0|3,0,0]=4 951 B10R1.4 CCSc1ccncc1N 62a_100000756074_100000210202 [1,0,0,0,0,0|3,0,0]=4 952 B10R1.4 CCSc1ccncc1O 62a_100000210202_100009817591 [1,0,0,0,0,0|3,0,0]=4 953 B10R1.4 CCSc1ccncc1O 62a_100009817591_100000210202 [1,0,0,0,0,0|3,0,0]=4 954 B10R1.4 CCSc1cnccc1Br 62a_100000210202_100010138639 [1,0,0,0,0,0|2,1,0]=4 955 B10R1.4 CCSc1cnccc1Br 62a_100010138639_100000210202 [1,0,0,0,0,0|2,1,0]=4 956 B10R1.4 CCSc1cnccc1C 62a_100000210202_100000761580 [1,0,0,0,0,0|3,0,0]=4 957 B10R1.4 CCSc1cnccc1C 62a_100000761580_100000210202 [1,0,0,0,0,0|3,0,0]=4 958 B10R1.4 CCSc1cnccc1Cl 62a_100000210202_100009995489 [1,0,0,0,0,0|2,0,0]=3 959 B10R1.4 CCSc1cnccc1Cl 62a_100009995489_100000210202 [1,0,0,0,0,0|2,0,0]=3 960 B10R1.4 CCSc1cnccc1F 62a_100000210202_100009820683 [1,0,0,0,0,0|2,1,0]=4 961 B10R1.4 CCSc1cnccc1F 62a_100009820683_100000210202 [1,0,0,0,0,0|2,1,0]=4 962 B10R1.4 CCSc1cnccc1N 62a_100000047001_100000210202 [1,0,0,0,0,0|3,0,0]=4 963 B10R1.4 CCSc1cnccc1N 62a_100000210202_100000047001 [1,0,0,0,0,0|3,0,0]=4 964 B10R1.4 CCSc1cncnc1Cl 62a_100000210202_100000758962 [1,0,0,0,0,0|3,0,0]=4 965 B10R1.4 CCSc1cncnc1Cl 62a_100000758962_100000210202 [1,0,0,0,0,0|3,0,0]=4 966 B10R1.4 CCSc1ncccc1Br 62a_100000210202_100000696092 [1,0,0,0,0,0|2,1,0]=4 967 B10R1.4 CCSc1ncccc1Br 62a_100000696092_100000210202 [1,0,0,0,0,0|2,1,0]=4 968 B10R1.4 CCSc1ncccc1C 62a_100000210202_100000751373 [1,0,0,0,0,0|3,0,0]=4 969 B10R1.4 CCSc1ncccc1C 62a_100000751373_100000210202 [1,0,0,0,0,0|3,0,0]=4 970 B10R1.4 CCSc1ncccc1Cl 62a_100000210202_100011356963 [1,0,0,0,0,0|2,0,0]=3 971 B10R1.4 CCSc1ncccc1Cl 62a_100011356963_100000210202 [1,0,0,0,0,0|2,0,0]=3 972 B10R1.4 CCSc1ncccc1F 62a_100000210202_100000685392 [1,0,0,0,0,0|2,1,0]=4 973 B10R1.4 CCSc1ncccc1F 62a_100000685392_100000210202 [1,0,0,0,0,0|2,1,0]=4 974 B10R1.4 CCSc1ncccc1N 62a_100000210202_100000688686 [1,0,0,0,0,0|3,0,0]=4 975 B10R1.4 CCSc1ncccc1N 62a_100000688686_100000210202 [1,0,0,0,0,0|3,0,0]=4 976 B10R1.4 CCSc1ncccc1O 62a_100000034122_100000210202 [1,0,0,0,0,0|3,0,0]=4 977 B10R1.4 CCSc1ncccc1O 62a_100000210202_100000034122 [1,0,0,0,0,0|3,0,0]=4 978 B10R1.4 CCSc1nccnc1Cl 62a_100000210202_100010886584 [1,0,0,0,0,0|3,0,0]=4 979 B10R1.4 CCSc1nccnc1Cl 62a_100010886584_100000210202 [1,0,0,0,0,0|3,0,0]=4 980 B10R1.4 CNCc1ccccc1Br 207a_100102657272_100000211189 [1,0,0,0,0,0|0,1,0]=2 981 B10R1.4 CNCc1ccccc1Br 2230a_100000689332_200000210301 [1,0,0,0,0,0|0,1,0]=2 982 B10R1.4 CNCc1ccccc1Br 2230a_106832991635_100000184730 [1,0,0,0,0,0|0,1,0]=2 983 B10R1.4 CNCc1ccccc1Br 26a_100102657272_100000181306 [1,0,0,0,0,0|0,1,0]=2 984 B10R1.4 CNCc1ccccc1Br 270004a_106832991635_100000211189 [1,0,0,0,0,0|0,1,0]=2 985 B10R1.4 CNCc1ccccc1Br 34a_100000689332_200000210301 [1,0,0,0,0,0|0,1,0]=2 986 B10R1.4 CNCc1ccccc1Br 34a_100102657272_100000184730 [1,0,0,0,0,0|0,1,0]=2 987 B10R1.4 CNCc1ccccc1Br 7a_106832991635_100000184730 [1,0,0,0,0,0|0,1,0]=2 988 B10R1.4 CNCc1ccccc1C 207a_100102657272_100000211143 [1,0,0,0,0,0|1,0,0]=2 989 B10R1.4 CNCc1ccccc1C 2230a_106832991635_100000211839 [1,0,0,0,0,0|1,0,0]=2 990 B10R1.4 CNCc1ccccc1C 270004a_106832991635_100000211143 [1,0,0,0,0,0|1,0,0]=2 991 B10R1.4 CNCc1ccccc1C 34a_100000174972_200000210301 [1,0,0,0,0,0|1,0,0]=2 992 B10R1.4 CNCc1ccccc1C 34a_100102657272_100000211839 [1,0,0,0,0,0|1,0,0]=2 993 B10R1.4 CNCc1ccccc1C 7a_106832991635_100000211839 [1,0,0,0,0,0|1,0,0]=2 994 B10R1.4 CNCc1ccccc1Cl 207a_100102657272_100000210073 [1,0,0,0,0,0|0,0,0]=1 995 B10R1.4 CNCc1ccccc1Cl 2230a_100000174879_200000210301 [1,0,0,0,0,0|0,0,0]=1 996 B10R1.4 CNCc1ccccc1Cl 2230a_106832991635_100000187162 [1,0,0,0,0,0|0,0,0]=1 997 B10R1.4 CNCc1ccccc1Cl 26a_100102657272_100000210172 [1,0,0,0,0,0|0,0,0]=1 998 B10R1.4 CNCc1ccccc1Cl 270004a_106832991635_100000210073 [1,0,0,0,0,0|0,0,0]=1 999 B10R1.4 CNCc1ccccc1Cl 34a_100000174879_200000210301 [1,0,0,0,0,0|0,0,0]=1 1000 B10R1.4 CNCc1ccccc1Cl 34a_100102657272_100000187162 [1,0,0,0,0,0|0,0,0]=1 1001 B10R1.4 CNCc1ccccc1Cl 7a_106832991635_100000187162 [1,0,0,0,0,0|0,0,0]=1 1002 B10R1.4 CNCc1ccccc1F 207a_100102657272_100000210811 [1,0,0,0,0,0|0,1,0]=2 1003 B10R1.4 CNCc1ccccc1F 2230a_106832991635_100000211605 [1,0,0,0,0,0|0,1,0]=2 1004 B10R1.4 CNCc1ccccc1F 270004a_106832991635_100000210811 [1,0,0,0,0,0|0,1,0]=2 1005 B10R1.4 CNCc1ccccc1F 34a_100000174869_200000210301 [1,0,0,0,0,0|0,1,0]=2 1006 B10R1.4 CNCc1ccccc1F 34a_100102657272_100000211605 [1,0,0,0,0,0|0,1,0]=2 1007 B10R1.4 CNCc1ccccc1F 7a_106832991635_100000211605 [1,0,0,0,0,0|0,1,0]=2 1008 B10R1.4 CNCc1ccccc1I 207a_100102657272_100000010305 [1,0,0,0,0,0|0,1,0]=2 1009 B10R1.4 CNCc1ccccc1I 2230a_106832991635_100011215278 [1,0,0,0,0,0|0,1,0]=2 1010 B10R1.4 CNCc1ccccc1I 270004a_106832991635_100000010305 [1,0,0,0,0,0|0,1,0]=2 1011 B10R1.4 CNCc1ccccc1I 34a_100102657272_100011215278 [1,0,0,0,0,0|0,1,0]=2 1012 B10R1.4 CNCc1ccccc1I 7a_106832991635_100011215278 [1,0,0,0,0,0|0,1,0]=2 1013 B10R1.4 CNCc1ccccc1O 271570a_203496583355_100000184654 [1,0,0,0,0,0|1,0,0]=2 1014 B10R1.4 CNCc1ccccc1O 34a_100000185550_200000210301 [1,0,0,0,0,0|1,0,0]=2 1015 B10R1.4 CNCc1cccnc1Br 2230a_100009818023_200000210301 [1,0,0,0,0,0|1,1,0]=3 1016 B10R1.4 CNCc1cccnc1Br 2230a_106832991635_100010140945 [1,0,0,0,0,0|1,1,0]=3 1017 B10R1.4 CNCc1cccnc1Br 34a_100009818023_200000210301 [1,0,0,0,0,0|1,1,0]=3 1018 B10R1.4 CNCc1cccnc1Br 34a_100102657272_100010140945 [1,0,0,0,0,0|1,1,0]=3 1019 B10R1.4 CNCc1cccnc1Br 7a_106832991635_100010140945 [1,0,0,0,0,0|1,1,0]=3 1020 B10R1.4 CNCc1cccnc1C 207a_100102657272_100000751968 [1,0,0,0,0,0|2,0,0]=3 1021 B10R1.4 CNCc1cccnc1C 2230a_106832991635_100000732876 [1,0,0,0,0,0|2,0,0]=3 1022 B10R1.4 CNCc1cccnc1C 270004a_106832991635_100000751968 [1,0,0,0,0,0|2,0,0]=3 1023 B10R1.4 CNCc1cccnc1C 34a_100102657272_100000732876 [1,0,0,0,0,0|2,0,0]=3 1024 B10R1.4 CNCc1cccnc1C 7a_106832991635_100000732876 [1,0,0,0,0,0|2,0,0]=3 1025 B10R1.4 CNCc1cccnc1Cl 2230a_100015189234_200000210301 [1,0,0,0,0,0|1,0,0]=2 1026 B10R1.4 CNCc1cccnc1Cl 2230a_106832991635_100000045678 [1,0,0,0,0,0|1,0,0]=2 1027 B10R1.4 CNCc1cccnc1Cl 34a_100015189234_200000210301 [1,0,0,0,0,0|1,0,0]=2 1028 B10R1.4 CNCc1cccnc1Cl 34a_100102657272_100000045678 [1,0,0,0,0,0|1,0,0]=2 1029 B10R1.4 CNCc1cccnc1Cl 7a_106832991635_100000045678 [1,0,0,0,0,0|1,0,0]=2 1030 B10R1.4 CNCc1cccnc1F 2230a_106832991635_100000099810 [1,0,0,0,0,0|1,1,0]=3 1031 B10R1.4 CNCc1cccnc1F 34a_100000724633_200000210301 [1,0,0,0,0,0|1,1,0]=3 1032 B10R1.4 CNCc1cccnc1F 34a_100102657272_100000099810 [1,0,0,0,0,0|1,1,0]=3 1033 B10R1.4 CNCc1cccnc1F 7a_106832991635_100000099810 [1,0,0,0,0,0|1,1,0]=3 1034 B10R1.4 CNCc1cccnc1O 207a_100102657272_100011998315 [1,0,0,0,0,0|2,0,0]=3 1035 B10R1.4 CNCc1cccnc1O 270004a_106832991635_100011998315 [1,0,0,0,0,0|2,0,0]=3 1036 B10R1.4 CNCc1cccnc1O 271570a_203496583355_103496529121 [1,0,0,0,0,0|2,0,0]=3 1037 B10R1.4 CNCc1ccncc1Br 270004a_106832991635_100000755692 [1,0,0,0,0,0|1,1,0]=3 1038 B10R1.4 CNCc1ccncc1C 2230a_106832991635_100020672808 [1,0,0,0,0,0|2,0,0]=3 1039 B10R1.4 CNCc1ccncc1C 34a_100102657272_100020672809 [1,0,0,0,0,0|2,0,0]=3 1040 B10R1.4 CNCc1ccncc1C 7a_106832991635_100020672808 [1,0,0,0,0,0|2,0,0]=3 1041 B10R1.4 CNCc1ccncc1Cl 207a_100102657272_100011934409 [1,0,0,0,0,0|1,0,0]=2 1042 B10R1.4 CNCc1ccncc1Cl 2230a_106832991635_100000763264 [1,0,0,0,0,0|1,0,0]=2 1043 B10R1.4 CNCc1ccncc1Cl 270004a_106832991635_100011934409 [1,0,0,0,0,0|1,0,0]=2 1044 B10R1.4 CNCc1ccncc1Cl 7a_106832991635_100000763264 [1,0,0,0,0,0|1,0,0]=2 1045 B10R1.4 CNCc1ccncc1F 34a_100011935246_200000210301 [1,0,0,0,0,0|1,1,0]=3 1046 B10R1.4 CNCc1cnccc1Br 270004a_106832991635_100009816821 [1,0,0,0,0,0|1,1,0]=3 1047 B10R1.4 CNCc1cnccc1C 207a_100102657272_100000685662 [1,0,0,0,0,0|2,0,0]=3 1048 B10R1.4 CNCc1cnccc1C 2230a_106832991635_100000690890 [1,0,0,0,0,0|2,0,0]=3 1049 B10R1.4 CNCc1cnccc1C 270004a_106832991635_100000685662 [1,0,0,0,0,0|2,0,0]=3 1050 B10R1.4 CNCc1cnccc1C 34a_100102657272_100000690890 [1,0,0,0,0,0|2,0,0]=3 1051 B10R1.4 CNCc1cnccc1C 7a_106832991635_100000690890 [1,0,0,0,0,0|2,0,0]=3 1052 B10R1.4 CNCc1cnccc1Cl 270004a_106832991635_100000050567 [1,0,0,0,0,0|1,0,0]=2 1053 B10R1.4 CNCc1ncccc1Br 207a_100102657272_100011934733 [1,0,0,0,0,0|1,1,0]=3 1054 B10R1.4 CNCc1ncccc1Br 2230a_106832991635_100025702911 [1,0,0,0,0,0|1,1,0]=3 1055 B10R1.4 CNCc1ncccc1Br 270004a_106832991635_100011934733 [1,0,0,0,0,0|1,1,0]=3 1056 B10R1.4 CNCc1ncccc1Br 34a_100102657272_100025702911 [1,0,0,0,0,0|1,1,0]=3 1057 B10R1.4 CNCc1ncccc1Br 7a_106832991635_100025702911 [1,0,0,0,0,0|1,1,0]=3 1058 B10R1.4 CNCc1ncccc1C 207a_100102657272_100000698913 [1,0,0,0,0,0|2,0,0]=3 1059 B10R1.4 CNCc1ncccc1C 2230a_106832991635_100000696600 [1,0,0,0,0,0|2,0,0]=3 1060 B10R1.4 CNCc1ncccc1C 270004a_106832991635_100000698913 [1,0,0,0,0,0|2,0,0]=3 1061 B10R1.4 CNCc1ncccc1C 34a_100011223789_200000210301 [1,0,0,0,0,0|2,0,0]=3 1062 B10R1.4 CNCc1ncccc1C 34a_100102657272_100000696600 [1,0,0,0,0,0|2,0,0]=3 1063 B10R1.4 CNCc1ncccc1C 7a_106832991635_100000696600 [1,0,0,0,0,0|2,0,0]=3 1064 B10R1.4 CNCc1ncccc1Cl 207a_100102657272_100012001307 [1,0,0,0,0,0|1,0,0]=2 1065 B10R1.4 CNCc1ncccc1Cl 2230a_100015189233_200000210301 [1,0,0,0,0,0|1,0,0]=2 1066 B10R1.4 CNCc1ncccc1Cl 2230a_106832991635_100000099807 [1,0,0,0,0,0|1,0,0]=2 1067 B10R1.4 CNCc1ncccc1Cl 270004a_106832991635_100012001307 [1,0,0,0,0,0|1,0,0]=2 1068 B10R1.4 CNCc1ncccc1Cl 7a_106832991635_100000099807 [1,0,0,0,0,0|1,0,0]=2 1069 B10R1.4 CNCc1ncccc1F 207a_100102657272_100011934734 [1,0,0,0,0,0|1,1,0]=3 1070 B10R1.4 CNCc1ncccc1F 2230a_106832991635_100000104219 [1,0,0,0,0,0|1,1,0]=3 1071 B10R1.4 CNCc1ncccc1F 270004a_106832991635_100011934734 [1,0,0,0,0,0|1,1,0]=3 1072 B10R1.4 CNCc1ncccc1F 34a_100000690088_200000210301 [1,0,0,0,0,0|1,1,0]=3 1073 B10R1.4 CNCc1ncccc1F 34a_100102657272_100000104219 [1,0,0,0,0,0|1,1,0]=3 1074 B10R1.4 CNCc1ncccc1F 7a_106832991635_100000104219 [1,0,0,0,0,0|1,1,0]=3 1075 B10R1.4 CNCc1ncccc1O 34a_100102657272_200020655725 [1,0,0,0,0,0|2,0,0]=3 1076 B10R1.4 CNCc1ncccc1O 7a_106832991635_200020655725 [1,0,0,0,0,0|2,0,0]=3 1077 B10R1.4 CNCc1nccnc1C 2230a_100020641712_200000210301 [1,0,0,0,0,0|3,0,0]=4 1078 B10R1.4 CNCc1nccnc1C 270004a_106832991635_100000050726 [1,0,0,0,0,0|3,0,0]=4 1079 B10R1.4 CNCc1nccnc1C 34a_100020641712_200000210301 [1,0,0,0,0,0|3,0,0]=4 1080 B10R1.4 CNCc1nccnc1Cl 2230a_100000729963_200000210301 [1,0,0,0,0,0|2,0,0]=3 1081 B10R1.4 COCc1ccccc1Br 34a_100000756307_200000210301 [1,0,0,0,0,0|1,1,0]=3 1082 B10R1.4 COCc1ccccc1Br 34a_100138415774_100000184730 [1,0,0,0,0,0|1,1,0]=3 1083 B10R1.4 COCc1ccccc1Br 7a_100000756307_200000210301 [1,0,0,0,0,0|1,1,0]=3 1084 B10R1.4 COCc1ccccc1C 34a_100000698903_200000210301 [1,0,0,0,0,0|2,0,0]=3 1085 B10R1.4 COCc1ccccc1C 34a_100138415774_100000211839 [1,0,0,0,0,0|2,0,0]=3 1086 B10R1.4 COCc1ccccc1C 7a_100000698903_200000210301 [1,0,0,0,0,0|2,0,0]=3 1087 B10R1.4 COCc1ccccc1Cl 34a_100000210847_200000210301 [1,0,0,0,0,0|1,0,0]=2 1088 B10R1.4 COCc1ccccc1Cl 34a_100138415774_100000187162 [1,0,0,0,0,0|1,0,0]=2 1089 B10R1.4 COCc1ccccc1Cl 7a_100000210847_200000210301 [1,0,0,0,0,0|1,0,0]=2 1090 B10R1.4 COCc1ccccc1F 34a_100000211962_200000210301 [1,0,0,0,0,0|1,1,0]=3 1091 B10R1.4 COCc1ccccc1F 34a_100138415774_100000211605 [1,0,0,0,0,0|1,1,0]=3 1092 B10R1.4 COCc1ccccc1F 7a_100000211962_200000210301 [1,0,0,0,0,0|1,1,0]=3 1093 B10R1.4 COCc1ccccc1I 34a_100000187465_200000210301 [1,0,0,0,0,0|1,1,0]=3 1094 B10R1.4 COCc1ccccc1I 34a_100138415774_100011215278 [1,0,0,0,0,0|1,1,0]=3 1095 B10R1.4 COCc1ccccc1I 7a_100000187465_200000210301 [1,0,0,0,0,0|1,1,0]=3 1096 B10R1.4 COCc1ccccc1N 34a_100000212039_200000210301 [1,0,0,0,0,0|2,0,0]=3 1097 B10R1.4 COCc1ccccc1O 271570a_203496583355_100011493684 [1,0,0,0,0,0|2,0,0]=3 1098 B10R1.4 COCc1cccnc1Br 34a_100000719692_200000210301 [1,0,0,0,0,0|2,1,0]=4 1099 B10R1.4 COCc1cccnc1Br 34a_100138415774_100010140945 [1,0,0,0,0,0|2,1,0]=4 1100 B10R1.4 COCc1cccnc1Br 7a_100000719692_200000210301 [1,0,0,0,0,0|2,1,0]=4 1101 B10R1.4 COCc1cccnc1C 34a_100000729262_200000210301 [1,0,0,0,0,0|3,0,0]=4 1102 B10R1.4 COCc1cccnc1C 34a_100138415774_100000732876 [1,0,0,0,0,0|3,0,0]=4 1103 B10R1.4 COCc1cccnc1C 7a_100000729262_200000210301 [1,0,0,0,0,0|3,0,0]=4 1104 B10R1.4 COCc1cccnc1Cl 34a_100000748726_200000210301 [1,0,0,0,0,0|2,0,0]=3 1105 B10R1.4 COCc1cccnc1Cl 34a_100138415774_100000045678 [1,0,0,0,0,0|2,0,0]=3 1106 B10R1.4 COCc1cccnc1Cl 7a_100000748726_200000210301 [1,0,0,0,0,0|2,0,0]=3 1107 B10R1.4 COCc1cccnc1F 34a_100000079888_200000210301 [1,0,0,0,0,0|2,1,0]=4 1108 B10R1.4 COCc1cccnc1F 34a_100138415774_100000099810 [1,0,0,0,0,0|2,1,0]=4 1109 B10R1.4 COCc1cccnc1F 7a_100000079888_200000210301 [1,0,0,0,0,0|2,1,0]=4 1110 B10R1.4 COCc1ccncc1C 34a_100011997032_200000210301 [1,0,0,0,0,0|3,0,0]=4 1111 B10R1.4 COCc1ccncc1C 34a_100138415774_100020672809 [1,0,0,0,0,0|3,0,0]=4 1112 B10R1.4 COCc1ccncc1F 34a_100012172863_200000210301 [1,0,0,0,0,0|2,1,0]=4 1113 B10R1.4 COCc1cnccc1C 34a_100011996381_200000210301 [1,0,0,0,0,0|3,0,0]=4 1114 B10R1.4 COCc1cnccc1C 34a_100138415774_100000690890 [1,0,0,0,0,0|3,0,0]=4 1115 B10R1.4 COCc1cnccc1Cl 34a_100000117392_200000210301 [1,0,0,0,0,0|2,0,0]=3 1116 B10R1.4 COCc1ncccc1Br 34a_100011996772_200000210301 [1,0,0,0,0,0|2,1,0]=4 1117 B10R1.4 COCc1ncccc1Br 34a_100138415774_100025702911 [1,0,0,0,0,0|2,1,0]=4 1118 B10R1.4 COCc1ncccc1C 34a_100000698912_200000210301 [1,0,0,0,0,0|3,0,0]=4 1119 B10R1.4 COCc1ncccc1C 34a_100138415774_100000696600 [1,0,0,0,0,0|3,0,0]=4 1120 B10R1.4 COCc1ncccc1Cl 34a_100012002383_200000210301 [1,0,0,0,0,0|2,0,0]=3 1121 B10R1.4 COCc1ncccc1F 34a_100011934865_200000210301 [1,0,0,0,0,0|2,1,0]=4 1122 B10R1.4 COCc1ncccc1F 34a_100138415774_100000104219 [1,0,0,0,0,0|2,1,0]=4 1123 B10R1.4 COCc1ncccc1N 34a_114873767017_200000210301 [1,0,0,0,0,0|3,0,0]=4 1124 B10R1.4 COCc1ncccc1O 34a_100138415774_200020655725 [1,0,0,0,0,0|3,0,0]=4 1125 B10R1.4 COCc1nccnc1Cl 34a_100000057004_200000210301 [1,0,0,0,0,0|3,0,0]=4 1126 B10R1.4 CSCc1ccccc1Br 62a_100000184730_200000210301 [1,0,0,0,0,0|1,1,0]=3 1127 B10R1.4 CSCc1ccccc1Br 62a_200000210301_100000184730 [1,0,0,0,0,0|1,1,0]=3 1128 B10R1.4 CSCc1ccccc1C 62a_100000211839_200000210301 [1,0,0,0,0,0|2,0,0]=3 1129 B10R1.4 CSCc1ccccc1C 62a_200000210301_100000211839 [1,0,0,0,0,0|2,0,0]=3 1130 B10R1.4 CSCc1ccccc1Cl 62a_100000187162_200000210301 [1,0,0,0,0,0|1,0,0]=2 1131 B10R1.4 CSCc1ccccc1Cl 62a_200000210301_100000187162 [1,0,0,0,0,0|1,0,0]=2 1132 B10R1.4 CSCc1ccccc1F 62a_100000211605_200000210301 [1,0,0,0,0,0|1,1,0]=3 1133 B10R1.4 CSCc1ccccc1F 62a_200000210301_100000211605 [1,0,0,0,0,0|1,1,0]=3 1134 B10R1.4 CSCc1ccccc1I 62a_100011216222_200000210301 [1,0,0,0,0,0|1,1,0]=3 1135 B10R1.4 CSCc1ccccc1I 62a_200000210301_100011216222 [1,0,0,0,0,0|1,1,0]=3 1136 B10R1.4 CSCc1ccccc1O 271570a_203496583355_100000148299 [1,0,0,0,0,0|2,0,0]=3 1137 B10R1.4 CSCc1cccnc1Br 62a_100010140945_200000210301 [1,0,0,0,0,0|2,1,0]=4 1138 B10R1.4 CSCc1cccnc1Br 62a_200000210301_100010140945 [1,0,0,0,0,0|2,1,0]=4 1139 B10R1.4 CSCc1cccnc1C 62a_100000732876_200000210301 [1,0,0,0,0,0|3,0,0]=4 1140 B10R1.4 CSCc1cccnc1C 62a_200000210301_100000732876 [1,0,0,0,0,0|3,0,0]=4 1141 B10R1.4 CSCc1cccnc1Cl 62a_100000045678_200000210301 [1,0,0,0,0,0|2,0,0]=3 1142 B10R1.4 CSCc1cccnc1Cl 62a_200000210301_100000045678 [1,0,0,0,0,0|2,0,0]=3 1143 B10R1.4 CSCc1cccnc1F 62a_100000099810_200000210301 [1,0,0,0,0,0|2,1,0]=4 1144 B10R1.4 CSCc1cccnc1F 62a_200000210301_100000099810 [1,0,0,0,0,0|2,1,0]=4 1145 B10R1.4 CSCc1ccncc1C 62a_100020672808_200000210301 [1,0,0,0,0,0|3,0,0]=4 1146 B10R1.4 CSCc1ccncc1C 62a_200000210301_100020672808 [1,0,0,0,0,0|3,0,0]=4 1147 B10R1.4 CSCc1ccncc1Cl 62a_100000763264_200000210301 [1,0,0,0,0,0|2,0,0]=3 1148 B10R1.4 CSCc1ccncc1Cl 62a_200000210301_100000763264 [1,0,0,0,0,0|2,0,0]=3 1149 B10R1.4 CSCc1cnccc1C 62a_100000690890_200000210301 [1,0,0,0,0,0|3,0,0]=4 1150 B10R1.4 CSCc1cnccc1C 62a_200000210301_100000690890 [1,0,0,0,0,0|3,0,0]=4 1151 B10R1.4 CSCc1ncccc1Br 62a_100025702911_200000210301 [1,0,0,0,0,0|2,1,0]=4 1152 B10R1.4 CSCc1ncccc1Br 62a_200000210301_100025702911 [1,0,0,0,0,0|2,1,0]=4 1153 B10R1.4 CSCc1ncccc1C 62a_100000696600_200000210301 [1,0,0,0,0,0|3,0,0]=4 1154 B10R1.4 CSCc1ncccc1C 62a_200000210301_100000696600 [1,0,0,0,0,0|3,0,0]=4 1155 B10R1.4 CSCc1ncccc1Cl 62a_100000099807_200000210301 [1,0,0,0,0,0|2,0,0]=3 1156 B10R1.4 CSCc1ncccc1Cl 62a_200000210301_100000099807 [1,0,0,0,0,0|2,0,0]=3 1157 B10R1.4 CSCc1ncccc1F 62a_100000104219_200000210301 [1,0,0,0,0,0|2,1,0]=4 1158 B10R1.4 CSCc1ncccc1F 62a_200000210301_100000104219 [1,0,0,0,0,0|2,1,0]=4 1159 B10R1.4 CSCc1ncccc1O 62a_200000210301_200020655725 [1,0,0,0,0,0|3,0,0]=4 1160 B10R1.4 CSCc1ncccc1O 62a_200020655725_200000210301 [1,0,0,0,0,0|3,0,0]=4 1161 B10R1.4 Cc1ccccc1CN[13CH3] 34a_100000174972_200025704644 [1,0,0,0,0,0|1,0,0]=2 1162 B10R1.4 Cc1ccccc1CO[13CH3] 34a_100000698903_200025704644 [1,0,0,0,0,0|2,0,0]=3 1163 B10R1.4 Cc1ccccc1CO[13CH3] 7a_100000698903_200025704644 [1,0,0,0,0,0|2,0,0]=3 1164 B10R1.4 Cc1ccccc1CS[13CH3] 62a_100000211839_200025704644 [1,0,0,0,0,0|2,0,0]=3 1165 B10R1.4 Cc1ccccc1CS[13CH3] 62a_200025704644_100000211839 [1,0,0,0,0,0|2,0,0]=3 1166 B10R1.4 Cc1ccccc1NCF 34a_100015192222_100015361967 [1,0,0,0,0,0|3,0,0]=4 1167 B10R1.4 Cc1ccccc1OCF 34a_100000210338_100015361967 [1,0,0,0,0,0|3,0,0]=4 1168 B10R1.4 Cc1ccccc1OCF 7a_100000210338_100015361967 [1,0,0,0,0,0|3,0,0]=4 1169 B10R1.4 Cc1ccccc1SCF 62a_100000210755_100015361967 [1,0,0,0,0,0|3,0,0]=4 1170 B10R1.4 Cc1ccccc1SCF 62a_100015361967_100000210755 [1,0,0,0,0,0|3,0,0]=4 1171 B10R1.4 Cc1cccnc1CN[13CH3] 34a_100011223789_200025704644 [1,0,0,0,0,0|2,0,0]=3 1172 B10R1.4 Cc1cccnc1CO[13CH3] 34a_100000698912_200025704644 [1,0,0,0,0,0|3,0,0]=4 1173 B10R1.4 Cc1cccnc1CS[13CH3] 62a_100000696600_200025704644 [1,0,0,0,0,0|3,0,0]=4 1174 B10R1.4 Cc1cccnc1CS[13CH3] 62a_200025704644_100000696600 [1,0,0,0,0,0|3,0,0]=4 1175 B10R1.4 Cc1ccncc1CO[13CH3] 34a_100011996381_200025704644 [1,0,0,0,0,0|3,0,0]=4 1176 B10R1.4 Cc1ccncc1CS[13CH3] 62a_100000690890_200025704644 [1,0,0,0,0,0|3,0,0]=4 1177 B10R1.4 Cc1ccncc1CS[13CH3] 62a_200025704644_100000690890 [1,0,0,0,0,0|3,0,0]=4 1178 B10R1.4 Cc1cnccc1CO[13CH3] 34a_100011997032_200025704644 [1,0,0,0,0,0|3,0,0]=4 1179 B10R1.4 Cc1cnccc1CS[13CH3] 62a_100020672808_200025704644 [1,0,0,0,0,0|3,0,0]=4 1180 B10R1.4 Cc1cnccc1CS[13CH3] 62a_200025704644_100020672808 [1,0,0,0,0,0|3,0,0]=4 1181 B10R1.4 Cc1ncccc1CO[13CH3] 34a_100000729262_200025704644 [1,0,0,0,0,0|3,0,0]=4 1182 B10R1.4 Cc1ncccc1CO[13CH3] 7a_100000729262_200025704644 [1,0,0,0,0,0|3,0,0]=4 1183 B10R1.4 Cc1ncccc1CS[13CH3] 62a_100000732876_200025704644 [1,0,0,0,0,0|3,0,0]=4 1184 B10R1.4 Cc1ncccc1CS[13CH3] 62a_200025704644_100000732876 [1,0,0,0,0,0|3,0,0]=4 1185 B10R1.4 Cc1nccnc1CN[13CH3] 2230a_100020641712_200025704644 [1,0,0,0,0,0|3,0,0]=4 1186 B10R1.4 Cc1nccnc1CN[13CH3] 34a_100020641712_200025704644 [1,0,0,0,0,0|3,0,0]=4 1187 B10R1.4 FCNc1ccccc1Br 34a_100000210017_100015361967 [1,0,0,0,0,0|2,1,0]=4 1188 B10R1.4 FCNc1ccccc1Cl 34a_100000185783_100015361967 [1,0,0,0,0,0|2,0,0]=3 1189 B10R1.4 FCNc1ccccc1F 34a_100000210422_100015361967 [1,0,0,0,0,0|2,1,0]=4 1190 B10R1.4 FCNc1ccccc1I 34a_100000210053_100015361967 [1,0,0,0,0,0|2,1,0]=4 1191 B10R1.4 FCOc1ccccc1Br 34a_100000181306_100015361967 [1,0,0,0,0,0|2,1,0]=4 1192 B10R1.4 FCOc1ccccc1Br 7a_100000181306_100015361967 [1,0,0,0,0,0|2,1,0]=4 1193 B10R1.4 FCOc1ccccc1Cl 34a_100000210172_100015361967 [1,0,0,0,0,0|2,0,0]=3 1194 B10R1.4 FCOc1ccccc1Cl 7a_100000210172_100015361967 [1,0,0,0,0,0|2,0,0]=3 1195 B10R1.4 FCOc1ccccc1F 34a_100000210171_100015361967 [1,0,0,0,0,0|2,1,0]=4 1196 B10R1.4 FCOc1ccccc1F 7a_100000210171_100015361967 [1,0,0,0,0,0|2,1,0]=4 1197 B10R1.4 FCOc1ccccc1I 34a_100000739446_100015361967 [1,0,0,0,0,0|2,1,0]=4 1198 B10R1.4 FCOc1ccccc1I 7a_100000739446_100015361967 [1,0,0,0,0,0|2,1,0]=4 1199 B10R1.4 FCOc1cccnc1Cl 34a_100000757616_100015361967 [1,0,0,0,0,0|3,0,0]=4 1200 B10R1.4 FCOc1cccnc1Cl 7a_100000757616_100015361967 [1,0,0,0,0,0|3,0,0]=4 1201 B10R1.4 FCOc1ccncc1Cl 34a_100011997054_100015361967 [1,0,0,0,0,0|3,0,0]=4 1202 B10R1.4 FCOc1cnccc1Cl 34a_100011996695_100015361967 [1,0,0,0,0,0|3,0,0]=4 1203 B10R1.4 FCOc1ncccc1Cl 34a_100011290957_100015361967 [1,0,0,0,0,0|3,0,0]=4 1204 B10R1.4 FCSc1ccccc1Br 62a_100000695589_100015361967 [1,0,0,0,0,0|2,1,0]=4 1205 B10R1.4 FCSc1ccccc1Br 62a_100015361967_100000695589 [1,0,0,0,0,0|2,1,0]=4 1206 B10R1.4 FCSc1ccccc1Cl 62a_100000764095_100015361967 [1,0,0,0,0,0|2,0,0]=3 1207 B10R1.4 FCSc1ccccc1Cl 62a_100015361967_100000764095 [1,0,0,0,0,0|2,0,0]=3 1208 B10R1.4 FCSc1ccccc1F 62a_100011215700_100015361967 [1,0,0,0,0,0|2,1,0]=4 1209 B10R1.4 FCSc1ccccc1F 62a_100015361967_100011215700 [1,0,0,0,0,0|2,1,0]=4 1210 B10R1.4 FCSc1cccnc1Cl 62a_100000036424_100015361967 [1,0,0,0,0,0|3,0,0]=4 1211 B10R1.4 FCSc1cccnc1Cl 62a_100015361967_100000036424 [1,0,0,0,0,0|3,0,0]=4 1212 B10R1.4 FCSc1ccncc1Cl 62a_100000708259_100015361967 [1,0,0,0,0,0|3,0,0]=4 1213 B10R1.4 FCSc1ccncc1Cl 62a_100015361967_100000708259 [1,0,0,0,0,0|3,0,0]=4 1214 B10R1.4 FCSc1cnccc1Cl 62a_100009995489_100015361967 [1,0,0,0,0,0|3,0,0]=4 1215 B10R1.4 FCSc1cnccc1Cl 62a_100015361967_100009995489 [1,0,0,0,0,0|3,0,0]=4 1216 B10R1.4 FCSc1ncccc1Cl 62a_100011356963_100015361967 [1,0,0,0,0,0|3,0,0]=4 1217 B10R1.4 FCSc1ncccc1Cl 62a_100015361967_100011356963 [1,0,0,0,0,0|3,0,0]=4 1218 B10R1.4 N#CCc1ccccc1O 271570a_203496583355_100000033512 [1,0,0,0,0,0|1,0,2]=4 1219 B10R1.4 NCCc1ccccc1O 271570a_203496583355_100000747383 [1,0,0,0,0,0|1,0,0]=2 1220 B10R1.4 NNCc1ccccc1O 271570a_203496583355_200016993956 [1,0,0,0,0,0|2,0,0]=3 1221 B10R1.4 Nc1ccccc1OCF 34a_100000185747_100015361967 [1,0,0,0,0,0|3,0,0]=4 1222 B10R1.4 Nc1ccccc1OCF 7a_100000185747_100015361967 [1,0,0,0,0,0|3,0,0]=4 1223 B10R1.4 Nc1ccccc1SCF 62a_100000210017_100015361967 [1,0,0,0,0,0|3,0,0]=4 1224 B10R1.4 Nc1ccccc1SCF 62a_100015361967_100000210017 [1,0,0,0,0,0|3,0,0]=4 1225 B10R1.4 OCCc1ccccc1O 271570a_203496583355_100000731337 [1,0,0,0,0,0|2,0,0]=3 1226 B10R1.4 Oc1ccccc1NCF 34a_100000185747_100015361967 [1,0,0,0,0,0|3,0,0]=4 1227 B10R1.4 Oc1ccccc1SCF 62a_100000739446_100015361967 [1,0,0,0,0,0|3,0,0]=4 1228 B10R1.4 Oc1ccccc1SCF 62a_100015361967_100000739446 [1,0,0,0,0,0|3,0,0]=4 1229 B10R1.4 [13CH3]NCc1ccccc1Br 2230a_100000689332_200025704644 [1,0,0,0,0,0|0,1,0]=2 1230 B10R1.4 [13CH3]NCc1ccccc1Br 34a_100000689332_200025704644 [1,0,0,0,0,0|0,1,0]=2 1231 B10R1.4 [13CH3]NCc1ccccc1Cl 2230a_100000174879_200025704644 [1,0,0,0,0,0|0,0,0]=1 1232 B10R1.4 [13CH3]NCc1ccccc1Cl 34a_100000174879_200025704644 [1,0,0,0,0,0|0,0,0]=1 1233 B10R1.4 [13CH3]NCc1ccccc1F 34a_100000174869_200025704644 [1,0,0,0,0,0|0,1,0]=2 1234 B10R1.4 [13CH3]NCc1ccccc1O 34a_100000185550_200025704644 [1,0,0,0,0,0|1,0,0]=2 1235 B10R1.4 [13CH3]NCc1cccnc1Br 2230a_100009818023_200025704644 [1,0,0,0,0,0|1,1,0]=3 1236 B10R1.4 [13CH3]NCc1cccnc1Br 34a_100009818023_200025704644 [1,0,0,0,0,0|1,1,0]=3 1237 B10R1.4 [13CH3]NCc1cccnc1Cl 2230a_100015189234_200025704644 [1,0,0,0,0,0|1,0,0]=2 1238 B10R1.4 [13CH3]NCc1cccnc1Cl 34a_100015189234_200025704644 [1,0,0,0,0,0|1,0,0]=2 1239 B10R1.4 [13CH3]NCc1cccnc1F 34a_100000724633_200025704644 [1,0,0,0,0,0|1,1,0]=3 1240 B10R1.4 [13CH3]NCc1ccncc1F 34a_100011935246_200025704644 [1,0,0,0,0,0|1,1,0]=3 1241 B10R1.4 [13CH3]NCc1ncccc1Cl 2230a_100015189233_200025704644 [1,0,0,0,0,0|1,0,0]=2 1242 B10R1.4 [13CH3]NCc1ncccc1F 34a_100000690088_200025704644 [1,0,0,0,0,0|1,1,0]=3 1243 B10R1.4 [13CH3]NCc1nccnc1Cl 2230a_100000729963_200025704644 [1,0,0,0,0,0|2,0,0]=3 1244 B10R1.4 [13CH3]OCc1ccccc1Br 34a_100000756307_200025704644 [1,0,0,0,0,0|1,1,0]=3 1245 B10R1.4 [13CH3]OCc1ccccc1Br 7a_100000756307_200025704644 [1,0,0,0,0,0|1,1,0]=3 1246 B10R1.4 [13CH3]OCc1ccccc1Cl 34a_100000210847_200025704644 [1,0,0,0,0,0|1,0,0]=2 1247 B10R1.4 [13CH3]OCc1ccccc1Cl 7a_100000210847_200025704644 [1,0,0,0,0,0|1,0,0]=2 1248 B10R1.4 [13CH3]OCc1ccccc1F 34a_100000211962_200025704644 [1,0,0,0,0,0|1,1,0]=3 1249 B10R1.4 [13CH3]OCc1ccccc1F 7a_100000211962_200025704644 [1,0,0,0,0,0|1,1,0]=3 1250 B10R1.4 [13CH3]OCc1ccccc1I 34a_100000187465_200025704644 [1,0,0,0,0,0|1,1,0]=3 1251 B10R1.4 [13CH3]OCc1ccccc1I 7a_100000187465_200025704644 [1,0,0,0,0,0|1,1,0]=3 1252 B10R1.4 [13CH3]OCc1ccccc1N 34a_100000212039_200025704644 [1,0,0,0,0,0|2,0,0]=3 1253 B10R1.4 [13CH3]OCc1cccnc1Br 34a_100000719692_200025704644 [1,0,0,0,0,0|2,1,0]=4 1254 B10R1.4 [13CH3]OCc1cccnc1Br 7a_100000719692_200025704644 [1,0,0,0,0,0|2,1,0]=4 1255 B10R1.4 [13CH3]OCc1cccnc1Cl 34a_100000748726_200025704644 [1,0,0,0,0,0|2,0,0]=3 1256 B10R1.4 [13CH3]OCc1cccnc1Cl 7a_100000748726_200025704644 [1,0,0,0,0,0|2,0,0]=3 1257 B10R1.4 [13CH3]OCc1cccnc1F 34a_100000079888_200025704644 [1,0,0,0,0,0|2,1,0]=4 1258 B10R1.4 [13CH3]OCc1cccnc1F 7a_100000079888_200025704644 [1,0,0,0,0,0|2,1,0]=4 1259 B10R1.4 [13CH3]OCc1ccncc1F 34a_100012172863_200025704644 [1,0,0,0,0,0|2,1,0]=4 1260 B10R1.4 [13CH3]OCc1cnccc1Cl 34a_100000117392_200025704644 [1,0,0,0,0,0|2,0,0]=3 1261 B10R1.4 [13CH3]OCc1ncccc1Br 34a_100011996772_200025704644 [1,0,0,0,0,0|2,1,0]=4 1262 B10R1.4 [13CH3]OCc1ncccc1Cl 34a_100012002383_200025704644 [1,0,0,0,0,0|2,0,0]=3 1263 B10R1.4 [13CH3]OCc1ncccc1F 34a_100011934865_200025704644 [1,0,0,0,0,0|2,1,0]=4 1264 B10R1.4 [13CH3]OCc1ncccc1N 34a_114873767017_200025704644 [1,0,0,0,0,0|3,0,0]=4 1265 B10R1.4 [13CH3]OCc1nccnc1Cl 34a_100000057004_200025704644 [1,0,0,0,0,0|3,0,0]=4 1266 B10R1.4 [13CH3]SCc1ccccc1Br 62a_100000184730_200025704644 [1,0,0,0,0,0|1,1,0]=3 1267 B10R1.4 [13CH3]SCc1ccccc1Br 62a_200025704644_100000184730 [1,0,0,0,0,0|1,1,0]=3 1268 B10R1.4 [13CH3]SCc1ccccc1Cl 62a_100000187162_200025704644 [1,0,0,0,0,0|1,0,0]=2 1269 B10R1.4 [13CH3]SCc1ccccc1Cl 62a_200025704644_100000187162 [1,0,0,0,0,0|1,0,0]=2 1270 B10R1.4 [13CH3]SCc1ccccc1F 62a_100000211605_200025704644 [1,0,0,0,0,0|1,1,0]=3 1271 B10R1.4 [13CH3]SCc1ccccc1F 62a_200025704644_100000211605 [1,0,0,0,0,0|1,1,0]=3 1272 B10R1.4 [13CH3]SCc1ccccc1I 62a_100011216222_200025704644 [1,0,0,0,0,0|1,1,0]=3 1273 B10R1.4 [13CH3]SCc1ccccc1I 62a_200025704644_100011216222 [1,0,0,0,0,0|1,1,0]=3 1274 B10R1.4 [13CH3]SCc1cccnc1Br 62a_100010140945_200025704644 [1,0,0,0,0,0|2,1,0]=4 1275 B10R1.4 [13CH3]SCc1cccnc1Br 62a_200025704644_100010140945 [1,0,0,0,0,0|2,1,0]=4 1276 B10R1.4 [13CH3]SCc1cccnc1Cl 62a_100000045678_200025704644 [1,0,0,0,0,0|2,0,0]=3 1277 B10R1.4 [13CH3]SCc1cccnc1Cl 62a_200025704644_100000045678 [1,0,0,0,0,0|2,0,0]=3 1278 B10R1.4 [13CH3]SCc1cccnc1F 62a_100000099810_200025704644 [1,0,0,0,0,0|2,1,0]=4 1279 B10R1.4 [13CH3]SCc1cccnc1F 62a_200025704644_100000099810 [1,0,0,0,0,0|2,1,0]=4 1280 B10R1.4 [13CH3]SCc1ccncc1Cl 62a_100000763264_200025704644 [1,0,0,0,0,0|2,0,0]=3 1281 B10R1.4 [13CH3]SCc1ccncc1Cl 62a_200025704644_100000763264 [1,0,0,0,0,0|2,0,0]=3 1282 B10R1.4 [13CH3]SCc1ncccc1Br 62a_100025702911_200025704644 [1,0,0,0,0,0|2,1,0]=4 1283 B10R1.4 [13CH3]SCc1ncccc1Br 62a_200025704644_100025702911 [1,0,0,0,0,0|2,1,0]=4 1284 B10R1.4 [13CH3]SCc1ncccc1Cl 62a_100000099807_200025704644 [1,0,0,0,0,0|2,0,0]=3 1285 B10R1.4 [13CH3]SCc1ncccc1Cl 62a_200025704644_100000099807 [1,0,0,0,0,0|2,0,0]=3 1286 B10R1.4 [13CH3]SCc1ncccc1F 62a_100000104219_200025704644 [1,0,0,0,0,0|2,1,0]=4 1287 B10R1.4 [13CH3]SCc1ncccc1F 62a_200025704644_100000104219 [1,0,0,0,0,0|2,1,0]=4 1288 B10R1.4 [13CH3]SCc1ncccc1O 62a_200020655725_200025704644 [1,0,0,0,0,0|3,0,0]=4 1289 B10R1.4 [13CH3]SCc1ncccc1O 62a_200025704644_200020655725 [1,0,0,0,0,0|3,0,0]=4 1290 B10R1.17 C#CCNc1ccccc1 34a_100000106764_100000184674 [1,0,0,0,0,0|2,0,1]=4 1291 B10R1.17 C#CCOc1ccccc1 34a_100000210340_100000184674 [1,0,0,0,0,0|2,0,1]=4 1292 B10R1.17 C#CCOc1ccccc1 7a_100000210340_100000038162 [1,0,0,0,0,0|2,0,1]=4 1293 B10R1.17 C#CCSc1ccccc1 62a_100000038162_100000041952 [1,0,0,0,0,0|2,0,1]=4 1294 B10R1.17 C=CCNc1ccccc1 34a_100000106764_100015514636 [1,0,0,0,0,0|2,0,1]=4 1295 B10R1.17 C=CCOc1ccccc1 34a_100000210340_100015514636 [1,0,0,0,0,0|2,0,1]=4 1296 B10R1.17 C=CCOc1ccccc1 7a_100000210340_100015514636 [1,0,0,0,0,0|2,0,1]=4 1297 B10R1.17 C=CCSc1ccccc1 62a_100000210623_100000041952 [1,0,0,0,0,0|2,0,1]=4 1298 B10R1.17 C=CCSc1ccccc1 62a_100000719477_100000210623 [1,0,0,0,0,0|2,0,1]=4 1299 B10R1.17 CC=NNc1ccccc1 4a_100015195140_200000210099 [1,0,0,0,0,0|3,0,0]=4 1300 B10R1.17 CCCCc1ccccc1 271570a_100020621405_100000210277 [1,0,0,0,0,0|1,0,0]=2 1301 B10R1.17 CCCCc1ccccn1 271570a_100020621405_100011216584 [1,0,0,0,0,0|2,0,0]=3 1302 B10R1.17 CCCCc1cccnc1 271570a_100020621405_100000752921 [1,0,0,0,0,0|2,0,0]=3 1303 B10R1.17 CCCCc1cccnn1 271570a_100020621405_100016991348 [1,0,0,0,0,0|3,0,0]=4 1304 B10R1.17 CCCCc1ccncc1 271570a_100020621405_100000035832 [1,0,0,0,0,0|2,0,0]=3 1305 B10R1.17 CCCCc1ccncn1 271570a_100020621405_100000703185 [1,0,0,0,0,0|3,0,0]=4 1306 B10R1.17 CCCCc1ccnnc1 271570a_100020621405_100000732662 [1,0,0,0,0,0|3,0,0]=4 1307 B10R1.17 CCCCc1cnccn1 271570a_100020621405_100000758340 [1,0,0,0,0,0|3,0,0]=4 1308 B10R1.17 CCCCc1cncnc1 271570a_100020621405_100011206942 [1,0,0,0,0,0|3,0,0]=4 1309 B10R1.17 CCCCc1ncccn1 271570a_100020621405_100000211032 [1,0,0,0,0,0|3,0,0]=4 1310 B10R1.17 CCCNc1ccccc1 34a_100000106764_100000210303 [1,0,0,0,0,0|2,0,0]=3 1311 B10R1.17 CCCOc1ccccc1 34a_100000210340_100000210303 [1,0,0,0,0,0|2,0,0]=3 1312 B10R1.17 CCCOc1ccccc1 7a_100000210340_100000210303 [1,0,0,0,0,0|2,0,0]=3 1313 B10R1.17 CCCOc1cccnc1 34a_100000210849_100000210303 [1,0,0,0,0,0|3,0,0]=4 1314 B10R1.17 CCCOc1cccnc1 7a_100000210849_100000210303 [1,0,0,0,0,0|3,0,0]=4 1315 B10R1.17 CCCOc1ccncc1 34a_100000212176_100000210303 [1,0,0,0,0,0|3,0,0]=4 1316 B10R1.17 CCCSc1ccccc1 62a_100000210303_100000041952 [1,0,0,0,0,0|2,0,0]=3 1317 B10R1.17 CCCSc1ccccc1 62a_100000719477_100000210303 [1,0,0,0,0,0|2,0,0]=3 1318 B10R1.17 CCCSc1ccccn1 62a_100000210303_100011216584 [1,0,0,0,0,0|3,0,0]=4 1319 B10R1.17 CCCSc1ccccn1 62a_100011216584_100000210303 [1,0,0,0,0,0|3,0,0]=4 1320 B10R1.17 CCCSc1cccnc1 62a_100000210063_100000210303 [1,0,0,0,0,0|3,0,0]=4 1321 B10R1.17 CCCSc1cccnc1 62a_100000210303_100000210063 [1,0,0,0,0,0|3,0,0]=4 1322 B10R1.17 CCCSc1ccncc1 62a_100000210303_100000728582 [1,0,0,0,0,0|3,0,0]=4 1323 B10R1.17 CCCSc1ccncc1 62a_100000728582_100000210303 [1,0,0,0,0,0|3,0,0]=4 1324 B10R1.17 CCNCc1ccccc1 207a_100015525214_100015611070 [1,0,0,0,0,0|2,0,0]=3 1325 B10R1.17 CCNCc1ccccc1 2230a_100015324214_100000210202 [1,0,0,0,0,0|2,0,0]=3 1326 B10R1.17 CCNCc1ccccc1 2230a_100015525214_100015291786 [1,0,0,0,0,0|2,0,0]=3 1327 B10R1.17 CCNCc1ccccc1 270004a_100015525214_100015611070 [1,0,0,0,0,0|2,0,0]=3 1328 B10R1.17 CCNCc1ccccc1 34a_100015324214_100000210202 [1,0,0,0,0,0|2,0,0]=3 1329 B10R1.17 CCNCc1ccccn1 207a_100015525214_100000209966 [1,0,0,0,0,0|3,0,0]=4 1330 B10R1.17 CCNCc1ccccn1 2230a_100015525214_100000721315 [1,0,0,0,0,0|3,0,0]=4 1331 B10R1.17 CCNCc1ccccn1 270004a_100015525214_100000209966 [1,0,0,0,0,0|3,0,0]=4 1332 B10R1.17 CCNCc1cccnc1 207a_100015525214_100000209961 [1,0,0,0,0,0|3,0,0]=4 1333 B10R1.17 CCNCc1cccnc1 2230a_100015525214_100000741622 [1,0,0,0,0,0|3,0,0]=4 1334 B10R1.17 CCNCc1cccnc1 270004a_100015525214_100000209961 [1,0,0,0,0,0|3,0,0]=4 1335 B10R1.17 CCNCc1ccncc1 207a_100015525214_100000186114 [1,0,0,0,0,0|3,0,0]=4 1336 B10R1.17 CCNCc1ccncc1 2230a_100015525214_100015193705 [1,0,0,0,0,0|3,0,0]=4 1337 B10R1.17 CCOCc1ccccc1 34a_100000210790_100000210202 [1,0,0,0,0,0|2,0,0]=3 1338 B10R1.17 CCOCc1ccccc1 34a_100121572206_100015291786 [1,0,0,0,0,0|2,0,0]=3 1339 B10R1.17 CCOCc1ccccc1 7a_100000210790_100000210202 [1,0,0,0,0,0|2,0,0]=3 1340 B10R1.17 CCOCc1ccccn1 34a_100121572206_100000721315 [1,0,0,0,0,0|3,0,0]=4 1341 B10R1.17 CCOCc1cccnc1 34a_100121572206_100000733263 [1,0,0,0,0,0|3,0,0]=4 1342 B10R1.17 CCSCc1ccccc1 62a_100000210202_100015291786 [1,0,0,0,0,0|2,0,0]=3 1343 B10R1.17 CCSCc1ccccc1 62a_100000211182_100000210202 [1,0,0,0,0,0|2,0,0]=3 1344 B10R1.17 CCSCc1ccccn1 62a_100000210202_100000721315 [1,0,0,0,0,0|3,0,0]=4 1345 B10R1.17 CCSCc1ccccn1 62a_100000721315_100000210202 [1,0,0,0,0,0|3,0,0]=4 1346 B10R1.17 CCSCc1cccnc1 62a_100000210202_100000741622 [1,0,0,0,0,0|3,0,0]=4 1347 B10R1.17 CCSCc1cccnc1 62a_100000741622_100000210202 [1,0,0,0,0,0|3,0,0]=4 1348 B10R1.17 CCSCc1ccncc1 62a_100000210202_100015193705 [1,0,0,0,0,0|3,0,0]=4 1349 B10R1.17 CCSCc1ccncc1 62a_100015193705_100000210202 [1,0,0,0,0,0|3,0,0]=4 1350 B10R1.17 CNCCc1ccccc1 2230a_100000106460_200000210301 [1,0,0,0,0,0|0,0,0]=1 1351 B10R1.17 CNCCc1ccccc1 2230a_106832991635_100000765856 [1,0,0,0,0,0|0,0,0]=1 1352 B10R1.17 CNCCc1ccccc1 34a_100000106460_200000210301 [1,0,0,0,0,0|0,0,0]=1 1353 B10R1.17 CNCCc1ccccc1 34a_100102657272_100000765856 [1,0,0,0,0,0|0,0,0]=1 1354 B10R1.17 CNCCc1ccccc1 7a_106832991635_100000765856 [1,0,0,0,0,0|0,0,0]=1 1355 B10R1.17 CNCCc1ccccn1 2230a_106832991635_100015183660 [1,0,0,0,0,0|1,0,0]=2 1356 B10R1.17 CNCCc1ccccn1 7a_106832991635_100015183660 [1,0,0,0,0,0|1,0,0]=2 1357 B10R1.17 CNCCc1cccnc1 2230a_100000736294_200000210301 [1,0,0,0,0,0|1,0,0]=2 1358 B10R1.17 CNCCc1cccnc1 2230a_106832991635_200011713674 [1,0,0,0,0,0|1,0,0]=2 1359 B10R1.17 CNCCc1cccnc1 7a_106832991635_200011713674 [1,0,0,0,0,0|1,0,0]=2 1360 B10R1.17 CNCCc1ccncc1 2230a_106832991635_100000723409 [1,0,0,0,0,0|1,0,0]=2 1361 B10R1.17 CNCCc1ccncc1 7a_106832991635_100000723409 [1,0,0,0,0,0|1,0,0]=2 1362 B10R1.17 CNCSc1ccccc1 2230a_106832991635_100011218342 [1,0,0,0,0,0|1,0,0]=2 1363 B10R1.17 COCCc1ccccc1 34a_100000210268_200000210301 [1,0,0,0,0,0|1,0,0]=2 1364 B10R1.17 COCCc1ccccc1 34a_100138415774_100000765856 [1,0,0,0,0,0|1,0,0]=2 1365 B10R1.17 COCCc1ccccc1 7a_100000210268_200000210301 [1,0,0,0,0,0|1,0,0]=2 1366 B10R1.17 COCCc1ccccn1 34a_100000210271_200000210301 [1,0,0,0,0,0|2,0,0]=3 1367 B10R1.17 COCCc1cccnc1 34a_100011217484_200000210301 [1,0,0,0,0,0|2,0,0]=3 1368 B10R1.17 COCCc1ccncc1 34a_100011216225_200000210301 [1,0,0,0,0,0|2,0,0]=3 1369 B10R1.17 COCCc1cnccn1 34a_100011349526_200000210301 [1,0,0,0,0,0|3,0,0]=4 1370 B10R1.17 COCCc1cncnc1 34a_100011709255_200000210301 [1,0,0,0,0,0|3,0,0]=4 1371 B10R1.17 COCSc1ccccc1 62a_100000719477_100000766300 [1,0,0,0,0,0|2,0,0]=3 1372 B10R1.17 COCSc1ccccc1 62a_100000766300_100000041952 [1,0,0,0,0,0|2,0,0]=3 1373 B10R1.17 COCSc1ccccn1 62a_100000766300_100011216584 [1,0,0,0,0,0|3,0,0]=4 1374 B10R1.17 COCSc1ccccn1 62a_100011216584_100000766300 [1,0,0,0,0,0|3,0,0]=4 1375 B10R1.17 COCSc1cccnc1 62a_100000210063_100000766300 [1,0,0,0,0,0|3,0,0]=4 1376 B10R1.17 COCSc1cccnc1 62a_100000766300_100000210063 [1,0,0,0,0,0|3,0,0]=4 1377 B10R1.17 COCSc1ccncc1 62a_100000728582_100000766300 [1,0,0,0,0,0|3,0,0]=4 1378 B10R1.17 COCSc1ccncc1 62a_100000766300_100000728582 [1,0,0,0,0,0|3,0,0]=4 1379 B10R1.17 CSCCc1ccccc1 62a_100000765856_200000210301 [1,0,0,0,0,0|1,0,0]=2 1380 B10R1.17 CSCCc1ccccc1 62a_200000210301_100011218657 [1,0,0,0,0,0|1,0,0]=2 1381 B10R1.17 CSCCc1ccccn1 62a_100015183660_200000210301 [1,0,0,0,0,0|2,0,0]=3 1382 B10R1.17 CSCCc1ccccn1 62a_200000210301_100015183660 [1,0,0,0,0,0|2,0,0]=3 1383 B10R1.17 CSCCc1cccnc1 62a_200000210301_200011713674 [1,0,0,0,0,0|2,0,0]=3 1384 B10R1.17 CSCCc1cccnc1 62a_200011713674_200000210301 [1,0,0,0,0,0|2,0,0]=3 1385 B10R1.17 CSCCc1ccncc1 62a_100000723409_200000210301 [1,0,0,0,0,0|2,0,0]=3 1386 B10R1.17 CSCCc1ccncc1 62a_200000210301_100000723409 [1,0,0,0,0,0|2,0,0]=3 1387 B10R1.17 CSCNc1ccccc1 34a_100000106764_100011218213 [1,0,0,0,0,0|2,0,0]=3 1388 B10R1.17 CSCOc1ccccc1 34a_100000210340_100011218213 [1,0,0,0,0,0|2,0,0]=3 1389 B10R1.17 CSCOc1cccnc1 34a_100000210849_100011218213 [1,0,0,0,0,0|3,0,0]=4 1390 B10R1.17 CSCOc1ccncc1 34a_100000212176_100011218213 [1,0,0,0,0,0|3,0,0]=4 1391 B10R1.17 CSCSc1ccccc1 62a_100000719477_100011218213 [1,0,0,0,0,0|2,0,0]=3 1392 B10R1.17 CSCSc1ccccc1 62a_100011218213_100000041952 [1,0,0,0,0,0|2,0,0]=3 1393 B10R1.17 CSCSc1ccccc1 62a_100011218342_200000210301 [1,0,0,0,0,0|2,0,0]=3 1394 B10R1.17 CSCSc1ccccc1 62a_200000210301_100011218342 [1,0,0,0,0,0|2,0,0]=3 1395 B10R1.17 CSCSc1ccccn1 62a_100011216584_100011218213 [1,0,0,0,0,0|3,0,0]=4 1396 B10R1.17 CSCSc1ccccn1 62a_100011218213_100011216584 [1,0,0,0,0,0|3,0,0]=4 1397 B10R1.17 CSCSc1cccnc1 62a_100000210063_100011218213 [1,0,0,0,0,0|3,0,0]=4 1398 B10R1.17 CSCSc1cccnc1 62a_100011218213_100000210063 [1,0,0,0,0,0|3,0,0]=4 1399 B10R1.17 CSCSc1ccncc1 62a_100000728582_100011218213 [1,0,0,0,0,0|3,0,0]=4 1400 B10R1.17 CSCSc1ccncc1 62a_100011218213_100000728582 [1,0,0,0,0,0|3,0,0]=4 1401 B10R1.17 FCCNc1ccccc1 34a_100000106764_100011217306 [1,0,0,0,0,0|3,0,0]=4 1402 B10R1.17 FCCOc1ccccc1 34a_100000210340_100011217306 [1,0,0,0,0,0|3,0,0]=4 1403 B10R1.17 FCCOc1ccccc1 7a_100000210340_100011217306 [1,0,0,0,0,0|3,0,0]=4 1404 B10R1.17 FCCSc1ccccc1 62a_100000719477_100011217306 [1,0,0,0,0,0|3,0,0]=4 1405 B10R1.17 FCCSc1ccccc1 62a_100011217306_100000041952 [1,0,0,0,0,0|3,0,0]=4 1406 B10R1.17 FCNCc1ccccc1 34a_100015324214_100015361967 [1,0,0,0,0,0|3,0,0]=4 1407 B10R1.17 FCOCc1ccccc1 34a_100000210790_100015361967 [1,0,0,0,0,0|3,0,0]=4 1408 B10R1.17 FCOCc1ccccc1 7a_100000210790_100015361967 [1,0,0,0,0,0|3,0,0]=4 1409 B10R1.17 FCSCc1ccccc1 62a_100000211182_100015361967 [1,0,0,0,0,0|3,0,0]=4 1410 B10R1.17 FCSCc1ccccc1 62a_100015361967_100015291786 [1,0,0,0,0,0|3,0,0]=4 1411 B10R1.17 N#CCOc1ccccc1 7a_100000210340_100011215382 [1,0,0,0,0,0|3,0,0]=4 1412 B10R1.17 N#CCSc1ccccc1 62a_100000719477_100011215382 [1,0,0,0,0,0|3,0,0]=4 1413 B10R1.17 N#CCSc1ccccc1 62a_100011215382_100000041952 [1,0,0,0,0,0|3,0,0]=4 1414 B10R1.17 O=CCNc1ccccc1 34a_100000106764_200009817547 [1,0,0,0,0,0|3,0,0]=4 1415 B10R1.17 O=CCOc1ccccc1 34a_100000210340_200009817547 [1,0,0,0,0,0|3,0,0]=4 1416 B10R1.17 O=CCOc1ccccc1 7a_100000210340_200015260668 [1,0,0,0,0,0|3,0,0]=4 1417 B10R1.17 O=CCSc1ccccc1 62a_100000719477_200015260668 [1,0,0,0,0,0|3,0,0]=4 1418 B10R1.17 O=CCSc1ccccc1 62a_200015260668_100000041952 [1,0,0,0,0,0|3,0,0]=4 1419 B10R1.17 OCCNc1ccccc1 34a_100000106764_100000211926 [1,0,0,0,0,0|3,0,0]=4 1420 B10R1.17 OCCOc1ccccc1 34a_100000210340_100000211926 [1,0,0,0,0,0|3,0,0]=4 1421 B10R1.17 OCCOc1ccccc1 7a_100000210340_100000211926 [1,0,0,0,0,0|3,0,0]=4 1422 B10R1.17 OCCSc1ccccc1 62a_100000211926_100000041952 [1,0,0,0,0,0|3,0,0]=4 1423 B10R1.17 OCCSc1ccccc1 62a_100000719477_100000211926 [1,0,0,0,0,0|3,0,0]=4 1424 B10R1.17 [13CH3]NCCc1ccccc1 2230a_100000106460_200025704644 [1,0,0,0,0,0|0,0,0]=1 1425 B10R1.17 [13CH3]NCCc1ccccc1 34a_100000106460_200025704644 [1,0,0,0,0,0|0,0,0]=1 1426 B10R1.17 [13CH3]NCCc1cccnc1 2230a_100000736294_200025704644 [1,0,0,0,0,0|1,0,0]=2 1427 B10R1.17 [13CH3]OCCc1ccccc1 34a_100000210268_200025704644 [1,0,0,0,0,0|1,0,0]=2 1428 B10R1.17 [13CH3]OCCc1ccccc1 7a_100000210268_200025704644 [1,0,0,0,0,0|1,0,0]=2 1429 B10R1.17 [13CH3]OCCc1ccccn1 34a_100000210271_200025704644 [1,0,0,0,0,0|2,0,0]=3 1430 B10R1.17 [13CH3]OCCc1cccnc1 34a_100011217484_200025704644 [1,0,0,0,0,0|2,0,0]=3 1431 B10R1.17 [13CH3]OCCc1ccncc1 34a_100011216225_200025704644 [1,0,0,0,0,0|2,0,0]=3 1432 B10R1.17 [13CH3]OCCc1cnccn1 34a_100011349526_200025704644 [1,0,0,0,0,0|3,0,0]=4 1433 B10R1.17 [13CH3]OCCc1cncnc1 34a_100011709255_200025704644 [1,0,0,0,0,0|3,0,0]=4 1434 B10R1.17 [13CH3]SCCc1ccccc1 62a_100000765856_200025704644 [1,0,0,0,0,0|1,0,0]=2 1435 B10R1.17 [13CH3]SCCc1ccccc1 62a_200025704644_100011218657 [1,0,0,0,0,0|1,0,0]=2 1436 B10R1.17 [13CH3]SCCc1ccccn1 62a_100015183660_200025704644 [1,0,0,0,0,0|2,0,0]=3 1437 B10R1.17 [13CH3]SCCc1ccccn1 62a_200025704644_100015183660 [1,0,0,0,0,0|2,0,0]=3 1438 B10R1.17 [13CH3]SCCc1cccnc1 62a_200011713674_200025704644 [1,0,0,0,0,0|2,0,0]=3 1439 B10R1.17 [13CH3]SCCc1cccnc1 62a_200025704644_200011713674 [1,0,0,0,0,0|2,0,0]=3 1440 B10R1.17 [13CH3]SCCc1ccncc1 62a_100000723409_200025704644 [1,0,0,0,0,0|2,0,0]=3 1441 B10R1.17 [13CH3]SCCc1ccncc1 62a_200025704644_100000723409 [1,0,0,0,0,0|2,0,0]=3 1442 B10R1.17 [13CH3]SCSc1ccccc1 62a_100011218342_200025704644 [1,0,0,0,0,0|2,0,0]=3 1443 B10R1.17 [13CH3]SCSc1ccccc1 62a_200025704644_100011218342 [1,0,0,0,0,0|2,0,0]=3 1444 B12R1.25 C#CCNc1cccc(c1Cl)Br 34a_100000687075_100000184674 [0,1,0,0,0,0|2,0,1]=4 1445 B12R1.25 C#CCNc1cccc(c1Cl)C 34a_100000765562_100000184674 [0,1,0,0,0,0|2,0,1]=4 1446 B12R1.25 C#CCNc1cccc(c1Cl)C 7a_100000765562_100000038162 [0,1,0,0,0,0|2,0,1]=4 1447 B12R1.25 C#CCNc1cccc(c1Cl)Cl 34a_100000185733_100000184674 [0,1,0,0,0,0|2,0,1]=4 1448 B12R1.25 C#CCNc1cccc(c1Cl)F 34a_100000692321_100000184674 [0,1,0,0,0,0|2,0,1]=4 1449 B12R1.25 C#CCNc1cccc(c1Cl)O 34a_100012002038_100000184674 [0,1,0,0,0,0|2,0,1]=4 1450 B12R1.25 C#CCNc1cccc(c1Cl)O 7a_100012002038_100000038162 [0,1,0,0,0,0|2,0,1]=4 1451 B12R1.25 C#CCOc1cccc(c1Cl)Br 34a_100010187913_100000184674 [0,1,0,0,0,0|2,0,1]=4 1452 B12R1.25 C#CCOc1cccc(c1Cl)Br 7a_100010187913_100000038162 [0,1,0,0,0,0|2,0,1]=4 1453 B12R1.25 C#CCOc1cccc(c1Cl)C 34a_100000695629_100000184674 [0,1,0,0,0,0|2,0,1]=4 1454 B12R1.25 C#CCOc1cccc(c1Cl)C 7a_100000695629_100000038162 [0,1,0,0,0,0|2,0,1]=4 1455 B12R1.25 C#CCOc1cccc(c1Cl)Cl 34a_100000211076_100000184674 [0,1,0,0,0,0|2,0,1]=4 1456 B12R1.25 C#CCOc1cccc(c1Cl)Cl 7a_100000211076_100000038162 [0,1,0,0,0,0|2,0,1]=4 1457 B12R1.25 C#CCOc1cccc(c1Cl)F 34a_100000087408_100000184674 [0,1,0,0,0,0|2,0,1]=4 1458 B12R1.25 C#CCOc1cccc(c1Cl)F 7a_100000087408_100000038162 [0,1,0,0,0,0|2,0,1]=4 1459 B12R1.25 C#CCOc1cccc(c1Cl)I 34a_100000049636_100000184674 [0,1,0,0,0,0|2,0,1]=4 1460 B12R1.25 C#CCOc1cccc(c1Cl)I 7a_100000049636_100000038162 [0,1,0,0,0,0|2,0,1]=4 1461 B12R1.25 C#CCOc1cccc(c1Cl)N 34a_100012002038_100000184674 [0,1,0,0,0,0|2,0,1]=4 1462 B12R1.25 C#CCOc1cccc(c1Cl)N 7a_100012002038_100000038162 [0,1,0,0,0,0|2,0,1]=4 1463 B12R1.25 C#CCSc1cccc(c1Cl)Br 62a_100000038162_100010142854 [0,1,0,0,0,0|2,0,1]=4 1464 B12R1.25 C#CCSc1cccc(c1Cl)C 62a_100000038162_200012352035 [0,1,0,0,0,0|2,0,1]=4 1465 B12R1.25 C#CCSc1cccc(c1Cl)Cl 62a_100000038162_100011215384 [0,1,0,0,0,0|2,0,1]=4 1466 B12R1.25 C#CCSc1cccc(c1Cl)F 62a_100000038162_200010234923 [0,1,0,0,0,0|2,0,1]=4 1467 B12R1.25 C#CCSc1cccc(c1Cl)O 62a_100000038162_100000049636 [0,1,0,0,0,0|2,0,1]=4 1468 B12R1.25 C=CCNc1cccc(c1Cl)Br 34a_100000687075_100015514636 [0,1,0,0,0,0|2,0,1]=4 1469 B12R1.25 C=CCNc1cccc(c1Cl)C 34a_100000765562_100015514636 [0,1,0,0,0,0|2,0,1]=4 1470 B12R1.25 C=CCNc1cccc(c1Cl)C 7a_100000765562_100015514636 [0,1,0,0,0,0|2,0,1]=4 1471 B12R1.25 C=CCNc1cccc(c1Cl)Cl 34a_100000185733_100015514636 [0,1,0,0,0,0|2,0,1]=4 1472 B12R1.25 C=CCNc1cccc(c1Cl)F 34a_100000692321_100015514636 [0,1,0,0,0,0|2,0,1]=4 1473 B12R1.25 C=CCNc1cccc(c1Cl)O 34a_100012002038_100015514636 [0,1,0,0,0,0|2,0,1]=4 1474 B12R1.25 C=CCNc1cccc(c1Cl)O 7a_100012002038_100015514636 [0,1,0,0,0,0|2,0,1]=4 1475 B12R1.25 C=CCOc1cccc(c1Cl)Br 34a_100010187913_100015514636 [0,1,0,0,0,0|2,0,1]=4 1476 B12R1.25 C=CCOc1cccc(c1Cl)Br 7a_100010187913_100015514636 [0,1,0,0,0,0|2,0,1]=4 1477 B12R1.25 C=CCOc1cccc(c1Cl)C 34a_100000695629_100015514636 [0,1,0,0,0,0|2,0,1]=4 1478 B12R1.25 C=CCOc1cccc(c1Cl)C 7a_100000695629_100015514636 [0,1,0,0,0,0|2,0,1]=4 1479 B12R1.25 C=CCOc1cccc(c1Cl)Cl 34a_100000211076_100015514636 [0,1,0,0,0,0|2,0,1]=4 1480 B12R1.25 C=CCOc1cccc(c1Cl)Cl 7a_100000211076_100015514636 [0,1,0,0,0,0|2,0,1]=4 1481 B12R1.25 C=CCOc1cccc(c1Cl)F 34a_100000087408_100015514636 [0,1,0,0,0,0|2,0,1]=4 1482 B12R1.25 C=CCOc1cccc(c1Cl)F 7a_100000087408_100015514636 [0,1,0,0,0,0|2,0,1]=4 1483 B12R1.25 C=CCOc1cccc(c1Cl)I 34a_100000049636_100015514636 [0,1,0,0,0,0|2,0,1]=4 1484 B12R1.25 C=CCOc1cccc(c1Cl)I 7a_100000049636_100015514636 [0,1,0,0,0,0|2,0,1]=4 1485 B12R1.25 C=CCOc1cccc(c1Cl)N 34a_100012002038_100015514636 [0,1,0,0,0,0|2,0,1]=4 1486 B12R1.25 C=CCOc1cccc(c1Cl)N 7a_100012002038_100015514636 [0,1,0,0,0,0|2,0,1]=4 1487 B12R1.25 C=CCSc1cccc(c1Cl)Br 62a_100000210623_100010142854 [0,1,0,0,0,0|2,0,1]=4 1488 B12R1.25 C=CCSc1cccc(c1Cl)Br 62a_100010142854_100000210623 [0,1,0,0,0,0|2,0,1]=4 1489 B12R1.25 C=CCSc1cccc(c1Cl)C 62a_100000210623_200012352035 [0,1,0,0,0,0|2,0,1]=4 1490 B12R1.25 C=CCSc1cccc(c1Cl)C 62a_200012352035_100000210623 [0,1,0,0,0,0|2,0,1]=4 1491 B12R1.25 C=CCSc1cccc(c1Cl)Cl 62a_100000210623_100011215384 [0,1,0,0,0,0|2,0,1]=4 1492 B12R1.25 C=CCSc1cccc(c1Cl)Cl 62a_100011215384_100000210623 [0,1,0,0,0,0|2,0,1]=4 1493 B12R1.25 C=CCSc1cccc(c1Cl)F 62a_100000210623_200010234923 [0,1,0,0,0,0|2,0,1]=4 1494 B12R1.25 C=CCSc1cccc(c1Cl)F 62a_200010234923_100000210623 [0,1,0,0,0,0|2,0,1]=4 1495 B12R1.25 C=CCSc1cccc(c1Cl)O 62a_100000210623_100000049636 [0,1,0,0,0,0|2,0,1]=4 1496 B12R1.25 CC=NNc1cccc(c1Cl)Cl 4a_100000009159_200000210099 [0,1,0,0,0,0|3,0,0]=4 1497 B12R1.25 CC=NNc1cccc(c1Cl)F 4a_100000122369_200000210099 [0,1,0,0,0,0|3,0,0]=4 1498 B12R1.25 CCCCc1cccc(=O)n1C 271570a_100020621405_100000726605 [0,1,0,0,0,0|3,0,0]=4 1499 B12R1.25 CCCCc1cccc(c1Br)O 271570a_100020621405_100010187914 [0,1,0,0,0,0|1,1,0]=3 1500 B12R1.25 CCCCc1cccc(c1C)Br 271570a_100020621405_100012353703 [0,1,0,0,0,0|2,0,0]=3 1501 B12R1.25 CCCCc1cccc(c1C)C 271570a_100020621405_100011214922 [0,1,0,0,0,0|2,0,0]=3 1502 B12R1.25 CCCCc1cccc(c1C)Cl 271570a_100020621405_100000726075 [0,1,0,0,0,0|2,0,0]=3 1503 B12R1.25 CCCCc1cccc(c1C)F 271570a_100020621405_100011216893 [0,1,0,0,0,0|2,0,0]=3 1504 B12R1.25 CCCCc1cccc(c1C)N 271570a_100020621405_100000761887 [0,1,0,0,0,0|2,0,0]=3 1505 B12R1.25 CCCCc1cccc(c1C)O 271570a_100020621405_100012002258 [0,1,0,0,0,0|2,0,0]=3 1506 B12R1.25 CCCCc1cccc(c1Cl)Br 271570a_100020621405_100010142854 [0,1,0,0,0,0|1,0,0]=2 1507 B12R1.25 CCCCc1cccc(c1Cl)C 271570a_100020621405_200012352035 [0,1,0,0,0,0|1,0,0]=2 1508 B12R1.25 CCCCc1cccc(c1Cl)Cl 271570a_100020621405_100011215384 [0,1,0,0,0,0|1,0,0]=2 1509 B12R1.25 CCCCc1cccc(c1Cl)F 271570a_100020621405_200010234923 [0,1,0,0,0,0|1,0,0]=2 1510 B12R1.25 CCCCc1cccc(c1Cl)O 271570a_100020621405_100000049636 [0,1,0,0,0,0|1,0,0]=2 1511 B12R1.25 CCCCc1cccc(c1F)Br 271570a_100020621405_100000702267 [0,1,0,0,0,0|1,1,0]=3 1512 B12R1.25 CCCCc1cccc(c1F)C 271570a_100020621405_100000717567 [0,1,0,0,0,0|1,1,0]=3 1513 B12R1.25 CCCCc1cccc(c1F)Cl 271570a_100020621405_100011217346 [0,1,0,0,0,0|1,1,0]=3 1514 B12R1.25 CCCCc1cccc(c1F)F 271570a_100020621405_100000694657 [0,1,0,0,0,0|1,1,0]=3 1515 B12R1.25 CCCCc1cccc(c1F)N 271570a_100020621405_100011935091 [0,1,0,0,0,0|1,1,0]=3 1516 B12R1.25 CCCCc1cccc(c1F)O 271570a_100020621405_100009817021 [0,1,0,0,0,0|1,1,0]=3 1517 B12R1.25 CCCCc1cccc(c1N)Br 271570a_100020621405_100010146558 [0,1,0,0,0,0|2,0,0]=3 1518 B12R1.25 CCCCc1cccc(c1N)C 271570a_100020621405_100011834072 [0,1,0,0,0,0|2,0,0]=3 1519 B12R1.25 CCCCc1cccc(c1N)Cl 271570a_100020621405_100010190421 [0,1,0,0,0,0|2,0,0]=3 1520 B12R1.25 CCCCc1cccc(c1N)F 271570a_100020621405_100000042321 [0,1,0,0,0,0|2,0,0]=3 1521 B12R1.25 CCCCc1cccc(c1N)N 271570a_100020621405_100015191791 [0,1,0,0,0,0|2,0,0]=3 1522 B12R1.25 CCCCc1cccc(c1N)O 271570a_100020621405_100011934926 [0,1,0,0,0,0|2,0,0]=3 1523 B12R1.25 CCCCc1cccc(c1O)Br 271570a_100020621405_100010084509 [0,1,0,0,0,0|2,0,0]=3 1524 B12R1.25 CCCCc1cccc(c1O)C 271570a_100020621405_100009817157 [0,1,0,0,0,0|2,0,0]=3 1525 B12R1.25 CCCCc1cccc(c1O)Cl 271570a_100020621405_100010202889 [0,1,0,0,0,0|2,0,0]=3 1526 B12R1.25 CCCCc1cccc(c1O)F 271570a_100020621405_100009813666 [0,1,0,0,0,0|2,0,0]=3 1527 B12R1.25 CCCCc1cccc(c1O)N 271570a_100020621405_100011934915 [0,1,0,0,0,0|2,0,0]=3 1528 B12R1.25 CCCCc1cccc(c1O)O 271570a_100020621405_100009815950 [0,1,0,0,0,0|2,0,0]=3 1529 B12R1.25 CCCCc1cccn(c1=O)C 271570a_100020621405_100000687173 [0,1,0,0,0,0|3,0,0]=4 1530 B12R1.25 CCCCc1ccnc(c1C)C 271570a_100020621405_100009846815 [0,1,0,0,0,0|3,0,0]=4 1531 B12R1.25 CCCCc1ccnc(c1C)Cl 271570a_100020621405_100000047055 [0,1,0,0,0,0|3,0,0]=4 1532 B12R1.25 CCCCc1ccnc(c1C)F 271570a_100020621405_100010006593 [0,1,0,0,0,0|3,0,0]=4 1533 B12R1.25 CCCCc1ccnc(c1C)N 271570a_100020621405_100009865460 [0,1,0,0,0,0|3,0,0]=4 1534 B12R1.25 CCCCc1ccnc(c1C)O 271570a_100020621405_100009858498 [0,1,0,0,0,0|3,0,0]=4 1535 B12R1.25 CCCCc1ccnc(c1Cl)C 271570a_100020621405_100000698670 [0,1,0,0,0,0|2,0,0]=3 1536 B12R1.25 CCCCc1ccnc(c1Cl)Cl 271570a_100020621405_100010246212 [0,1,0,0,0,0|2,0,0]=3 1537 B12R1.25 CCCCc1ccnc(c1Cl)F 271570a_100020621405_100010067886 [0,1,0,0,0,0|2,0,0]=3 1538 B12R1.25 CCCCc1ccnc(c1Cl)N 271570a_100020621405_100010735111 [0,1,0,0,0,0|2,0,0]=3 1539 B12R1.25 CCCCc1ccnc(c1F)Br 271570a_100020621405_200015269031 [0,1,0,0,0,0|2,1,0]=4 1540 B12R1.25 CCCCc1ccnc(c1F)C 271570a_100020621405_100009849794 [0,1,0,0,0,0|2,1,0]=4 1541 B12R1.25 CCCCc1ccnc(c1F)Cl 271570a_100020621405_100010150473 [0,1,0,0,0,0|2,1,0]=4 1542 B12R1.25 CCCCc1ccnc(c1F)F 271570a_100020621405_100010214882 [0,1,0,0,0,0|2,1,0]=4 1543 B12R1.25 CCCCc1ccnc(c1F)N 271570a_100020621405_100010077785 [0,1,0,0,0,0|2,1,0]=4 1544 B12R1.25 CCCCc1ccnc(c1N)C 271570a_100020621405_100009885578 [0,1,0,0,0,0|3,0,0]=4 1545 B12R1.25 CCCCc1ccnc(c1N)N 271570a_100020621405_100000124095 [0,1,0,0,0,0|3,0,0]=4 1546 B12R1.25 CCCCc1cncc(c1C)Br 271570a_100020621405_100010109657 [0,1,0,0,0,0|3,0,0]=4 1547 B12R1.25 CCCCc1cncc(c1C)C 271570a_100020621405_100009864703 [0,1,0,0,0,0|3,0,0]=4 1548 B12R1.25 CCCCc1cncc(c1C)F 271570a_100020621405_100009881546 [0,1,0,0,0,0|3,0,0]=4 1549 B12R1.25 CCCCc1cncc(c1C)N 271570a_100020621405_100011998293 [0,1,0,0,0,0|3,0,0]=4 1550 B12R1.25 CCCCc1cncc(c1N)Br 271570a_100020621405_100011290786 [0,1,0,0,0,0|3,0,0]=4 1551 B12R1.25 CCCCc1cncc(c1N)C 271570a_100020621405_100009818025 [0,1,0,0,0,0|3,0,0]=4 1552 B12R1.25 CCCCc1cncc(c1N)Cl 271570a_100020621405_100000684942 [0,1,0,0,0,0|3,0,0]=4 1553 B12R1.25 CCCCc1cncc(c1N)F 271570a_100020621405_100009880649 [0,1,0,0,0,0|3,0,0]=4 1554 B12R1.25 CCCCc1cncc(c1N)N 271570a_100020621405_100000694774 [0,1,0,0,0,0|3,0,0]=4 1555 B12R1.25 CCCCc1nccc(c1C)C 271570a_100020621405_100009847204 [0,1,0,0,0,0|3,0,0]=4 1556 B12R1.25 CCCCc1nccc(c1C)F 271570a_100020621405_100009846374 [0,1,0,0,0,0|3,0,0]=4 1557 B12R1.25 CCCCc1nccc(c1C)N 271570a_100020621405_100009980296 [0,1,0,0,0,0|3,0,0]=4 1558 B12R1.25 CCCCc1nccc(c1F)C 271570a_100020621405_100009817629 [0,1,0,0,0,0|2,1,0]=4 1559 B12R1.25 CCCCc1nccc(c1F)N 271570a_100020621405_100015205195 [0,1,0,0,0,0|2,1,0]=4 1560 B12R1.25 CCCCc1nccc(c1F)O 271570a_100020621405_100009876375 [0,1,0,0,0,0|2,1,0]=4 1561 B12R1.25 CCCCc1nccc(c1N)C 271570a_100020621405_100000763560 [0,1,0,0,0,0|3,0,0]=4 1562 B12R1.25 CCCCc1nccc(c1N)N 271570a_100020621405_100000085203 [0,1,0,0,0,0|3,0,0]=4 1563 B12R1.25 CCCCc1nccc(c1N)O 271570a_100020621405_100000128729 [0,1,0,0,0,0|3,0,0]=4 1564 B12R1.25 CCCCc1nccc(c1O)C 271570a_100020621405_100000696282 [0,1,0,0,0,0|3,0,0]=4 1565 B12R1.25 CCCCc1nccc(c1O)F 271570a_100020621405_100009867227 [0,1,0,0,0,0|3,0,0]=4 1566 B12R1.25 CCCNc1cccc(c1Br)C 34a_100000684715_100000210303 [0,1,0,0,0,0|2,1,0]=4 1567 B12R1.25 CCCNc1cccc(c1Br)Cl 34a_100000687072_100000210303 [0,1,0,0,0,0|2,1,0]=4 1568 B12R1.25 CCCNc1cccc(c1Br)F 34a_100011934729_100000210303 [0,1,0,0,0,0|2,1,0]=4 1569 B12R1.25 CCCNc1cccc(c1Br)O 34a_100012183704_100000210303 [0,1,0,0,0,0|2,1,0]=4 1570 B12R1.25 CCCNc1cccc(c1Br)O 7a_100012183704_100000210303 [0,1,0,0,0,0|2,1,0]=4 1571 B12R1.25 CCCNc1cccc(c1C)Br 34a_100000750434_100000210303 [0,1,0,0,0,0|3,0,0]=4 1572 B12R1.25 CCCNc1cccc(c1C)C 2230a_100000210026_100000210303 [0,1,0,0,0,0|3,0,0]=4 1573 B12R1.25 CCCNc1cccc(c1C)C 34a_100000210026_100000210303 [0,1,0,0,0,0|3,0,0]=4 1574 B12R1.25 CCCNc1cccc(c1C)C 7a_100000210026_100000210303 [0,1,0,0,0,0|3,0,0]=4 1575 B12R1.25 CCCNc1cccc(c1C)Cl 2230a_100000210441_100000210303 [0,1,0,0,0,0|3,0,0]=4 1576 B12R1.25 CCCNc1cccc(c1C)Cl 34a_100000210441_100000210303 [0,1,0,0,0,0|3,0,0]=4 1577 B12R1.25 CCCNc1cccc(c1C)Cl 7a_100000210441_100000210303 [0,1,0,0,0,0|3,0,0]=4 1578 B12R1.25 CCCNc1cccc(c1C)F 34a_100000745574_100000210303 [0,1,0,0,0,0|3,0,0]=4 1579 B12R1.25 CCCNc1cccc(c1C)F 7a_100000745574_100000210303 [0,1,0,0,0,0|3,0,0]=4 1580 B12R1.25 CCCNc1cccc(c1C)I 34a_100000761887_100000210303 [0,1,0,0,0,0|3,0,0]=4 1581 B12R1.25 CCCNc1cccc(c1C)O 34a_100011216573_100000210303 [0,1,0,0,0,0|3,0,0]=4 1582 B12R1.25 CCCNc1cccc(c1C)O 7a_100011216573_100000210303 [0,1,0,0,0,0|3,0,0]=4 1583 B12R1.25 CCCNc1cccc(c1Cl)Br 34a_100000687075_100000210303 [0,1,0,0,0,0|2,0,0]=3 1584 B12R1.25 CCCNc1cccc(c1Cl)C 34a_100000765562_100000210303 [0,1,0,0,0,0|2,0,0]=3 1585 B12R1.25 CCCNc1cccc(c1Cl)C 7a_100000765562_100000210303 [0,1,0,0,0,0|2,0,0]=3 1586 B12R1.25 CCCNc1cccc(c1Cl)Cl 34a_100000185733_100000210303 [0,1,0,0,0,0|2,0,0]=3 1587 B12R1.25 CCCNc1cccc(c1Cl)F 34a_100000692321_100000210303 [0,1,0,0,0,0|2,0,0]=3 1588 B12R1.25 CCCNc1cccc(c1Cl)O 34a_100012002038_100000210303 [0,1,0,0,0,0|2,0,0]=3 1589 B12R1.25 CCCNc1cccc(c1Cl)O 7a_100012002038_100000210303 [0,1,0,0,0,0|2,0,0]=3 1590 B12R1.25 CCCNc1cccc(c1F)Br 2230a_100011935091_100000210303 [0,1,0,0,0,0|2,1,0]=4 1591 B12R1.25 CCCNc1cccc(c1F)Br 34a_100011935091_100000210303 [0,1,0,0,0,0|2,1,0]=4 1592 B12R1.25 CCCNc1cccc(c1F)C 2230a_100000697159_100000210303 [0,1,0,0,0,0|2,1,0]=4 1593 B12R1.25 CCCNc1cccc(c1F)C 34a_100000697159_100000210303 [0,1,0,0,0,0|2,1,0]=4 1594 B12R1.25 CCCNc1cccc(c1F)C 7a_100000697159_100000210303 [0,1,0,0,0,0|2,1,0]=4 1595 B12R1.25 CCCNc1cccc(c1F)Cl 2230a_100000199060_100000210303 [0,1,0,0,0,0|2,1,0]=4 1596 B12R1.25 CCCNc1cccc(c1F)Cl 34a_100000199060_100000210303 [0,1,0,0,0,0|2,1,0]=4 1597 B12R1.25 CCCNc1cccc(c1F)F 34a_100000743855_100000210303 [0,1,0,0,0,0|2,1,0]=4 1598 B12R1.25 CCCNc1cccc(c1I)Br 34a_100020590159_100000210303 [0,1,0,0,0,0|2,1,0]=4 1599 B12R1.25 CCCNc1cccc(c1I)C 34a_100000761888_100000210303 [0,1,0,0,0,0|2,1,0]=4 1600 B12R1.25 CCCNc1cccc(c1I)Cl 34a_100000049713_100000210303 [0,1,0,0,0,0|2,1,0]=4 1601 B12R1.25 CCCNc1cccc(c1I)F 34a_100000690935_100000210303 [0,1,0,0,0,0|2,1,0]=4 1602 B12R1.25 CCCNc1cccc(c1O)Br 34a_100011934915_100000210303 [0,1,0,0,0,0|3,0,0]=4 1603 B12R1.25 CCCNc1cccc(c1O)C 34a_100000756359_100000210303 [0,1,0,0,0,0|3,0,0]=4 1604 B12R1.25 CCCNc1cccc(c1O)Cl 34a_100000754742_100000210303 [0,1,0,0,0,0|3,0,0]=4 1605 B12R1.25 CCCNc1cccc(c1O)F 34a_100011934987_100000210303 [0,1,0,0,0,0|3,0,0]=4 1606 B12R1.25 CCCOc1cccc(c1Br)Br 34a_100010187966_100000210303 [0,1,0,0,0,0|2,1,0]=4 1607 B12R1.25 CCCOc1cccc(c1Br)Br 7a_100010187966_100000210303 [0,1,0,0,0,0|2,1,0]=4 1608 B12R1.25 CCCOc1cccc(c1Br)C 34a_100000686692_100000210303 [0,1,0,0,0,0|2,1,0]=4 1609 B12R1.25 CCCOc1cccc(c1Br)C 7a_100000686692_100000210303 [0,1,0,0,0,0|2,1,0]=4 1610 B12R1.25 CCCOc1cccc(c1Br)Cl 34a_100012348804_100000210303 [0,1,0,0,0,0|2,1,0]=4 1611 B12R1.25 CCCOc1cccc(c1Br)Cl 7a_100012348804_100000210303 [0,1,0,0,0,0|2,1,0]=4 1612 B12R1.25 CCCOc1cccc(c1Br)F 34a_100009820682_100000210303 [0,1,0,0,0,0|2,1,0]=4 1613 B12R1.25 CCCOc1cccc(c1Br)F 7a_100009820682_100000210303 [0,1,0,0,0,0|2,1,0]=4 1614 B12R1.25 CCCOc1cccc(c1Br)I 34a_100010187914_100000210303 [0,1,0,0,0,0|2,1,0]=4 1615 B12R1.25 CCCOc1cccc(c1Br)I 7a_100010187914_100000210303 [0,1,0,0,0,0|2,1,0]=4 1616 B12R1.25 CCCOc1cccc(c1Br)N 34a_100012183704_100000210303 [0,1,0,0,0,0|2,1,0]=4 1617 B12R1.25 CCCOc1cccc(c1Br)N 7a_100012183704_100000210303 [0,1,0,0,0,0|2,1,0]=4 1618 B12R1.25 CCCOc1cccc(c1C)Br 34a_100012002258_100000210303 [0,1,0,0,0,0|3,0,0]=4 1619 B12R1.25 CCCOc1cccc(c1C)Br 7a_100012002258_100000210303 [0,1,0,0,0,0|3,0,0]=4 1620 B12R1.25 CCCOc1cccc(c1C)C 34a_100000185855_100000210303 [0,1,0,0,0,0|3,0,0]=4 1621 B12R1.25 CCCOc1cccc(c1C)C 7a_100000185855_100000210303 [0,1,0,0,0,0|3,0,0]=4 1622 B12R1.25 CCCOc1cccc(c1C)Cl 34a_100011265684_100000210303 [0,1,0,0,0,0|3,0,0]=4 1623 B12R1.25 CCCOc1cccc(c1C)Cl 7a_100011265684_100000210303 [0,1,0,0,0,0|3,0,0]=4 1624 B12R1.25 CCCOc1cccc(c1C)F 34a_100011217231_100000210303 [0,1,0,0,0,0|3,0,0]=4 1625 B12R1.25 CCCOc1cccc(c1C)F 7a_100011217231_100000210303 [0,1,0,0,0,0|3,0,0]=4 1626 B12R1.25 CCCOc1cccc(c1C)N 34a_100011216573_100000210303 [0,1,0,0,0,0|3,0,0]=4 1627 B12R1.25 CCCOc1cccc(c1C)N 7a_100011216573_100000210303 [0,1,0,0,0,0|3,0,0]=4 1628 B12R1.25 CCCOc1cccc(c1Cl)Br 34a_100010187913_100000210303 [0,1,0,0,0,0|2,0,0]=3 1629 B12R1.25 CCCOc1cccc(c1Cl)Br 7a_100010187913_100000210303 [0,1,0,0,0,0|2,0,0]=3 1630 B12R1.25 CCCOc1cccc(c1Cl)C 34a_100000695629_100000210303 [0,1,0,0,0,0|2,0,0]=3 1631 B12R1.25 CCCOc1cccc(c1Cl)C 7a_100000695629_100000210303 [0,1,0,0,0,0|2,0,0]=3 1632 B12R1.25 CCCOc1cccc(c1Cl)Cl 34a_100000211076_100000210303 [0,1,0,0,0,0|2,0,0]=3 1633 B12R1.25 CCCOc1cccc(c1Cl)Cl 7a_100000211076_100000210303 [0,1,0,0,0,0|2,0,0]=3 1634 B12R1.25 CCCOc1cccc(c1Cl)F 34a_100000087408_100000210303 [0,1,0,0,0,0|2,0,0]=3 1635 B12R1.25 CCCOc1cccc(c1Cl)F 7a_100000087408_100000210303 [0,1,0,0,0,0|2,0,0]=3 1636 B12R1.25 CCCOc1cccc(c1Cl)I 34a_100000049636_100000210303 [0,1,0,0,0,0|2,0,0]=3 1637 B12R1.25 CCCOc1cccc(c1Cl)I 7a_100000049636_100000210303 [0,1,0,0,0,0|2,0,0]=3 1638 B12R1.25 CCCOc1cccc(c1Cl)N 34a_100012002038_100000210303 [0,1,0,0,0,0|2,0,0]=3 1639 B12R1.25 CCCOc1cccc(c1Cl)N 7a_100012002038_100000210303 [0,1,0,0,0,0|2,0,0]=3 1640 B12R1.25 CCCOc1cccc(c1F)Br 34a_100009817021_100000210303 [0,1,0,0,0,0|2,1,0]=4 1641 B12R1.25 CCCOc1cccc(c1F)Br 7a_100009817021_100000210303 [0,1,0,0,0,0|2,1,0]=4 1642 B12R1.25 CCCOc1cccc(c1F)C 34a_100000751311_100000210303 [0,1,0,0,0,0|2,1,0]=4 1643 B12R1.25 CCCOc1cccc(c1F)C 7a_100000751311_100000210303 [0,1,0,0,0,0|2,1,0]=4 1644 B12R1.25 CCCOc1cccc(c1F)Cl 34a_100000687438_100000210303 [0,1,0,0,0,0|2,1,0]=4 1645 B12R1.25 CCCOc1cccc(c1F)Cl 7a_100000687438_100000210303 [0,1,0,0,0,0|2,1,0]=4 1646 B12R1.25 CCCOc1cccc(c1F)F 34a_100000751161_100000210303 [0,1,0,0,0,0|2,1,0]=4 1647 B12R1.25 CCCOc1cccc(c1F)F 7a_100000751161_100000210303 [0,1,0,0,0,0|2,1,0]=4 1648 B12R1.25 CCCOc1cccc(c1I)Br 34a_100010187912_100000210303 [0,1,0,0,0,0|2,1,0]=4 1649 B12R1.25 CCCOc1cccc(c1I)Br 7a_100010187912_100000210303 [0,1,0,0,0,0|2,1,0]=4 1650 B12R1.25 CCCOc1cccc(c1I)C 34a_100010083724_100000210303 [0,1,0,0,0,0|2,1,0]=4 1651 B12R1.25 CCCOc1cccc(c1I)C 7a_100010083724_100000210303 [0,1,0,0,0,0|2,1,0]=4 1652 B12R1.25 CCCOc1cccc(c1I)Cl 34a_100000050174_100000210303 [0,1,0,0,0,0|2,1,0]=4 1653 B12R1.25 CCCOc1cccc(c1I)Cl 7a_100000050174_100000210303 [0,1,0,0,0,0|2,1,0]=4 1654 B12R1.25 CCCOc1cccc(c1I)F 34a_100000690913_100000210303 [0,1,0,0,0,0|2,1,0]=4 1655 B12R1.25 CCCOc1cccc(c1I)F 7a_100000690913_100000210303 [0,1,0,0,0,0|2,1,0]=4 1656 B12R1.25 CCCOc1cccc(c1N)Br 34a_100011934926_100000210303 [0,1,0,0,0,0|3,0,0]=4 1657 B12R1.25 CCCOc1cccc(c1N)Br 7a_100011934926_100000210303 [0,1,0,0,0,0|3,0,0]=4 1658 B12R1.25 CCCOc1cccc(c1N)C 34a_100000743429_100000210303 [0,1,0,0,0,0|3,0,0]=4 1659 B12R1.25 CCCOc1cccc(c1N)C 7a_100000743429_100000210303 [0,1,0,0,0,0|3,0,0]=4 1660 B12R1.25 CCCOc1cccc(c1N)Cl 34a_100012022510_100000210303 [0,1,0,0,0,0|3,0,0]=4 1661 B12R1.25 CCCOc1cccc(c1N)Cl 7a_100012022510_100000210303 [0,1,0,0,0,0|3,0,0]=4 1662 B12R1.25 CCCOc1cccc(c1N)F 34a_100020591140_100000210303 [0,1,0,0,0,0|3,0,0]=4 1663 B12R1.25 CCCOc1cccc(c1N)F 7a_100020591140_100000210303 [0,1,0,0,0,0|3,0,0]=4 1664 B12R1.25 CCCOc1cccc(c1N)I 34a_200000049512_100000210303 [0,1,0,0,0,0|3,0,0]=4 1665 B12R1.25 CCCOc1cccc(c1N)I 7a_200000049512_100000210303 [0,1,0,0,0,0|3,0,0]=4 1666 B12R1.25 CCCOc1cccc(c1N)N 34a_100000033209_100000210303 [0,1,0,0,0,0|3,0,0]=4 1667 B12R1.25 CCCOc1ccnc(c1Cl)Cl 34a_100009860235_100000210303 [0,1,0,0,0,0|3,0,0]=4 1668 B12R1.25 CCCOc1nccc(c1Cl)N 34a_200000093555_100000210303 [0,1,0,0,0,0|3,0,0]=4 1669 B12R1.25 CCCSc1cccc(c1Br)Br 62a_100000210303_100010175083 [0,1,0,0,0,0|2,1,0]=4 1670 B12R1.25 CCCSc1cccc(c1Br)Br 62a_100010175083_100000210303 [0,1,0,0,0,0|2,1,0]=4 1671 B12R1.25 CCCSc1cccc(c1Br)C 62a_100000210303_100012362457 [0,1,0,0,0,0|2,1,0]=4 1672 B12R1.25 CCCSc1cccc(c1Br)C 62a_100012362457_100000210303 [0,1,0,0,0,0|2,1,0]=4 1673 B12R1.25 CCCSc1cccc(c1Br)Cl 62a_100000210303_100014021842 [0,1,0,0,0,0|2,1,0]=4 1674 B12R1.25 CCCSc1cccc(c1Br)Cl 62a_100014021842_100000210303 [0,1,0,0,0,0|2,1,0]=4 1675 B12R1.25 CCCSc1cccc(c1Br)F 62a_100000210303_100010202630 [0,1,0,0,0,0|2,1,0]=4 1676 B12R1.25 CCCSc1cccc(c1Br)F 62a_100010202630_100000210303 [0,1,0,0,0,0|2,1,0]=4 1677 B12R1.25 CCCSc1cccc(c1Br)O 62a_100000210303_100010187914 [0,1,0,0,0,0|2,1,0]=4 1678 B12R1.25 CCCSc1cccc(c1Br)O 62a_100010187914_100000210303 [0,1,0,0,0,0|2,1,0]=4 1679 B12R1.25 CCCSc1cccc(c1C)Br 62a_100000210303_100012353703 [0,1,0,0,0,0|3,0,0]=4 1680 B12R1.25 CCCSc1cccc(c1C)Br 62a_100012353703_100000210303 [0,1,0,0,0,0|3,0,0]=4 1681 B12R1.25 CCCSc1cccc(c1C)C 62a_100000210303_100011214922 [0,1,0,0,0,0|3,0,0]=4 1682 B12R1.25 CCCSc1cccc(c1C)C 62a_100011214922_100000210303 [0,1,0,0,0,0|3,0,0]=4 1683 B12R1.25 CCCSc1cccc(c1C)Cl 62a_100000210303_100000726075 [0,1,0,0,0,0|3,0,0]=4 1684 B12R1.25 CCCSc1cccc(c1C)Cl 62a_100000726075_100000210303 [0,1,0,0,0,0|3,0,0]=4 1685 B12R1.25 CCCSc1cccc(c1C)F 62a_100000210303_100011216893 [0,1,0,0,0,0|3,0,0]=4 1686 B12R1.25 CCCSc1cccc(c1C)F 62a_100011216893_100000210303 [0,1,0,0,0,0|3,0,0]=4 1687 B12R1.25 CCCSc1cccc(c1C)N 62a_100000210303_100000761887 [0,1,0,0,0,0|3,0,0]=4 1688 B12R1.25 CCCSc1cccc(c1C)N 62a_100000761887_100000210303 [0,1,0,0,0,0|3,0,0]=4 1689 B12R1.25 CCCSc1cccc(c1C)O 62a_100000210303_100012002258 [0,1,0,0,0,0|3,0,0]=4 1690 B12R1.25 CCCSc1cccc(c1C)O 62a_100012002258_100000210303 [0,1,0,0,0,0|3,0,0]=4 1691 B12R1.25 CCCSc1cccc(c1Cl)Br 62a_100000210303_100010142854 [0,1,0,0,0,0|2,0,0]=3 1692 B12R1.25 CCCSc1cccc(c1Cl)Br 62a_100010142854_100000210303 [0,1,0,0,0,0|2,0,0]=3 1693 B12R1.25 CCCSc1cccc(c1Cl)C 62a_100000210303_200012352035 [0,1,0,0,0,0|2,0,0]=3 1694 B12R1.25 CCCSc1cccc(c1Cl)C 62a_200012352035_100000210303 [0,1,0,0,0,0|2,0,0]=3 1695 B12R1.25 CCCSc1cccc(c1Cl)Cl 62a_100000210303_100011215384 [0,1,0,0,0,0|2,0,0]=3 1696 B12R1.25 CCCSc1cccc(c1Cl)Cl 62a_100011215384_100000210303 [0,1,0,0,0,0|2,0,0]=3 1697 B12R1.25 CCCSc1cccc(c1Cl)F 62a_100000210303_200010234923 [0,1,0,0,0,0|2,0,0]=3 1698 B12R1.25 CCCSc1cccc(c1Cl)F 62a_200010234923_100000210303 [0,1,0,0,0,0|2,0,0]=3 1699 B12R1.25 CCCSc1cccc(c1Cl)O 62a_100000210303_100000049636 [0,1,0,0,0,0|2,0,0]=3 1700 B12R1.25 CCCSc1cccc(c1F)Br 62a_100000210303_100000702267 [0,1,0,0,0,0|2,1,0]=4 1701 B12R1.25 CCCSc1cccc(c1F)Br 62a_100000702267_100000210303 [0,1,0,0,0,0|2,1,0]=4 1702 B12R1.25 CCCSc1cccc(c1F)C 62a_100000210303_100000717567 [0,1,0,0,0,0|2,1,0]=4 1703 B12R1.25 CCCSc1cccc(c1F)C 62a_100000717567_100000210303 [0,1,0,0,0,0|2,1,0]=4 1704 B12R1.25 CCCSc1cccc(c1F)Cl 62a_100000210303_100011217346 [0,1,0,0,0,0|2,1,0]=4 1705 B12R1.25 CCCSc1cccc(c1F)Cl 62a_100011217346_100000210303 [0,1,0,0,0,0|2,1,0]=4 1706 B12R1.25 CCCSc1cccc(c1F)F 62a_100000210303_100000694657 [0,1,0,0,0,0|2,1,0]=4 1707 B12R1.25 CCCSc1cccc(c1F)F 62a_100000694657_100000210303 [0,1,0,0,0,0|2,1,0]=4 1708 B12R1.25 CCCSc1cccc(c1F)N 62a_100000210303_100011935091 [0,1,0,0,0,0|2,1,0]=4 1709 B12R1.25 CCCSc1cccc(c1F)N 62a_100011935091_100000210303 [0,1,0,0,0,0|2,1,0]=4 1710 B12R1.25 CCCSc1cccc(c1F)O 62a_100000210303_100009817021 [0,1,0,0,0,0|2,1,0]=4 1711 B12R1.25 CCCSc1cccc(c1F)O 62a_100009817021_100000210303 [0,1,0,0,0,0|2,1,0]=4 1712 B12R1.25 CCCSc1cccc(c1N)Br 62a_100000210303_100010146558 [0,1,0,0,0,0|3,0,0]=4 1713 B12R1.25 CCCSc1cccc(c1N)Br 62a_100010146558_100000210303 [0,1,0,0,0,0|3,0,0]=4 1714 B12R1.25 CCCSc1cccc(c1N)C 62a_100000210303_100011834072 [0,1,0,0,0,0|3,0,0]=4 1715 B12R1.25 CCCSc1cccc(c1N)C 62a_100011834072_100000210303 [0,1,0,0,0,0|3,0,0]=4 1716 B12R1.25 CCCSc1cccc(c1N)Cl 62a_100000210303_100010190421 [0,1,0,0,0,0|3,0,0]=4 1717 B12R1.25 CCCSc1cccc(c1N)Cl 62a_100010190421_100000210303 [0,1,0,0,0,0|3,0,0]=4 1718 B12R1.25 CCCSc1cccc(c1N)F 62a_100000042321_100000210303 [0,1,0,0,0,0|3,0,0]=4 1719 B12R1.25 CCCSc1cccc(c1N)F 62a_100000210303_100000042321 [0,1,0,0,0,0|3,0,0]=4 1720 B12R1.25 CCCSc1cccc(c1N)N 62a_100015191791_100000210303 [0,1,0,0,0,0|3,0,0]=4 1721 B12R1.25 CCCSc1cccc(c1N)O 62a_100000210303_100011934926 [0,1,0,0,0,0|3,0,0]=4 1722 B12R1.25 CCCSc1cccc(c1O)Br 62a_100000210303_100010084509 [0,1,0,0,0,0|3,0,0]=4 1723 B12R1.25 CCCSc1cccc(c1O)Br 62a_100010084509_100000210303 [0,1,0,0,0,0|3,0,0]=4 1724 B12R1.25 CCCSc1cccc(c1O)C 62a_100000210303_100009817157 [0,1,0,0,0,0|3,0,0]=4 1725 B12R1.25 CCCSc1cccc(c1O)C 62a_100009817157_100000210303 [0,1,0,0,0,0|3,0,0]=4 1726 B12R1.25 CCCSc1cccc(c1O)Cl 62a_100000210303_100010202889 [0,1,0,0,0,0|3,0,0]=4 1727 B12R1.25 CCCSc1cccc(c1O)Cl 62a_100010202889_100000210303 [0,1,0,0,0,0|3,0,0]=4 1728 B12R1.25 CCCSc1cccc(c1O)F 62a_100000210303_100009813666 [0,1,0,0,0,0|3,0,0]=4 1729 B12R1.25 CCCSc1cccc(c1O)F 62a_100009813666_100000210303 [0,1,0,0,0,0|3,0,0]=4 1730 B12R1.25 CCCSc1cccc(c1O)N 62a_100000210303_100010084371 [0,1,0,0,0,0|3,0,0]=4 1731 B12R1.25 CCCSc1cccc(c1O)N 62a_100011934915_100000210303 [0,1,0,0,0,0|3,0,0]=4 1732 B12R1.25 CCCSc1cccc(c1O)O 62a_100000210303_100009815950 [0,1,0,0,0,0|3,0,0]=4 1733 B12R1.25 CCCSc1ccnc(c1Cl)C 62a_100000210303_100000698670 [0,1,0,0,0,0|3,0,0]=4 1734 B12R1.25 CCCSc1ccnc(c1Cl)C 62a_100000698670_100000210303 [0,1,0,0,0,0|3,0,0]=4 1735 B12R1.25 CCCSc1ccnc(c1Cl)Cl 62a_100000210303_100010246212 [0,1,0,0,0,0|3,0,0]=4 1736 B12R1.25 CCCSc1ccnc(c1Cl)Cl 62a_100010246212_100000210303 [0,1,0,0,0,0|3,0,0]=4 1737 B12R1.25 CCCSc1ccnc(c1Cl)F 62a_100000210303_100010067886 [0,1,0,0,0,0|3,0,0]=4 1738 B12R1.25 CCCSc1ccnc(c1Cl)F 62a_100010067886_100000210303 [0,1,0,0,0,0|3,0,0]=4 1739 B12R1.25 CCCSc1ccnc(c1Cl)N 62a_100000210303_100010735111 [0,1,0,0,0,0|3,0,0]=4 1740 B12R1.25 CCCSc1ccnc(c1Cl)N 62a_100010735111_100000210303 [0,1,0,0,0,0|3,0,0]=4 1741 B12R1.25 CCNCc1cccc(c1Br)Br 207a_100015525214_100010240334 [0,1,0,0,0,0|2,1,0]=4 1742 B12R1.25 CCNCc1cccc(c1Br)Br 270004a_100015525214_100010240334 [0,1,0,0,0,0|2,1,0]=4 1743 B12R1.25 CCNCc1cccc(c1Br)C 207a_100015525214_100012186367 [0,1,0,0,0,0|2,1,0]=4 1744 B12R1.25 CCNCc1cccc(c1Br)C 2230a_100015525214_200012349612 [0,1,0,0,0,0|2,1,0]=4 1745 B12R1.25 CCNCc1cccc(c1Br)C 270004a_100015525214_100012186367 [0,1,0,0,0,0|2,1,0]=4 1746 B12R1.25 CCNCc1cccc(c1Br)Cl 207a_100015525214_100010232083 [0,1,0,0,0,0|2,1,0]=4 1747 B12R1.25 CCNCc1cccc(c1Br)Cl 2230a_100015525214_100010145525 [0,1,0,0,0,0|2,1,0]=4 1748 B12R1.25 CCNCc1cccc(c1Br)Cl 270004a_100015525214_100010232083 [0,1,0,0,0,0|2,1,0]=4 1749 B12R1.25 CCNCc1cccc(c1Br)F 207a_100015525214_100011934749 [0,1,0,0,0,0|2,1,0]=4 1750 B12R1.25 CCNCc1cccc(c1Br)F 2230a_100015525214_100012351116 [0,1,0,0,0,0|2,1,0]=4 1751 B12R1.25 CCNCc1cccc(c1Br)F 2230a_100020638964_100000210202 [0,1,0,0,0,0|2,1,0]=4 1752 B12R1.25 CCNCc1cccc(c1Br)F 270004a_100015525214_100011934749 [0,1,0,0,0,0|2,1,0]=4 1753 B12R1.25 CCNCc1cccc(c1Br)F 34a_100020638964_100000210202 [0,1,0,0,0,0|2,1,0]=4 1754 B12R1.25 CCNCc1cccc(c1Br)I 2230a_100015525214_100010254545 [0,1,0,0,0,0|2,1,0]=4 1755 B12R1.25 CCNCc1cccc(c1C)Br 207a_100015525214_100012179384 [0,1,0,0,0,0|3,0,0]=4 1756 B12R1.25 CCNCc1cccc(c1C)Br 2230a_100015525214_100000694682 [0,1,0,0,0,0|3,0,0]=4 1757 B12R1.25 CCNCc1cccc(c1C)Br 270004a_100015525214_100012179384 [0,1,0,0,0,0|3,0,0]=4 1758 B12R1.25 CCNCc1cccc(c1C)Br 34a_100000724210_100000210202 [0,1,0,0,0,0|3,0,0]=4 1759 B12R1.25 CCNCc1cccc(c1C)C 207a_100015525214_100000229941 [0,1,0,0,0,0|3,0,0]=4 1760 B12R1.25 CCNCc1cccc(c1C)C 2230a_100011211637_100000210202 [0,1,0,0,0,0|3,0,0]=4 1761 B12R1.25 CCNCc1cccc(c1C)C 2230a_100015525214_100011515928 [0,1,0,0,0,0|3,0,0]=4 1762 B12R1.25 CCNCc1cccc(c1C)C 270004a_100015525214_100000229941 [0,1,0,0,0,0|3,0,0]=4 1763 B12R1.25 CCNCc1cccc(c1C)C 34a_100011211637_100000210202 [0,1,0,0,0,0|3,0,0]=4 1764 B12R1.25 CCNCc1cccc(c1C)Cl 207a_100015525214_100012002129 [0,1,0,0,0,0|3,0,0]=4 1765 B12R1.25 CCNCc1cccc(c1C)Cl 2230a_100015525214_100012186920 [0,1,0,0,0,0|3,0,0]=4 1766 B12R1.25 CCNCc1cccc(c1C)Cl 2230a_100020639605_100000210202 [0,1,0,0,0,0|3,0,0]=4 1767 B12R1.25 CCNCc1cccc(c1C)Cl 270004a_100015525214_100012002129 [0,1,0,0,0,0|3,0,0]=4 1768 B12R1.25 CCNCc1cccc(c1C)Cl 34a_100020639605_100000210202 [0,1,0,0,0,0|3,0,0]=4 1769 B12R1.25 CCNCc1cccc(c1C)F 207a_100015525214_100000037668 [0,1,0,0,0,0|3,0,0]=4 1770 B12R1.25 CCNCc1cccc(c1C)F 2230a_100015525214_100009813626 [0,1,0,0,0,0|3,0,0]=4 1771 B12R1.25 CCNCc1cccc(c1C)F 2230a_100132306986_100000210202 [0,1,0,0,0,0|3,0,0]=4 1772 B12R1.25 CCNCc1cccc(c1C)F 270004a_100015525214_100000037668 [0,1,0,0,0,0|3,0,0]=4 1773 B12R1.25 CCNCc1cccc(c1C)F 34a_100132306986_100000210202 [0,1,0,0,0,0|3,0,0]=4 1774 B12R1.25 CCNCc1cccc(c1C)I 2230a_100015525214_100010150147 [0,1,0,0,0,0|3,0,0]=4 1775 B12R1.25 CCNCc1cccc(c1C)O 270004a_100015525214_100009868165 [0,1,0,0,0,0|3,0,0]=4 1776 B12R1.25 CCNCc1cccc(c1Cl)Br 207a_100015525214_100012362481 [0,1,0,0,0,0|2,0,0]=3 1777 B12R1.25 CCNCc1cccc(c1Cl)Br 2230a_100015525214_100012349491 [0,1,0,0,0,0|2,0,0]=3 1778 B12R1.25 CCNCc1cccc(c1Cl)Br 270004a_100015525214_100012362481 [0,1,0,0,0,0|2,0,0]=3 1779 B12R1.25 CCNCc1cccc(c1Cl)C 207a_100015525214_100012017286 [0,1,0,0,0,0|2,0,0]=3 1780 B12R1.25 CCNCc1cccc(c1Cl)C 2230a_100025705714_100000210202 [0,1,0,0,0,0|2,0,0]=3 1781 B12R1.25 CCNCc1cccc(c1Cl)C 270004a_100015525214_100012017286 [0,1,0,0,0,0|2,0,0]=3 1782 B12R1.25 CCNCc1cccc(c1Cl)C 34a_100025705714_100000210202 [0,1,0,0,0,0|2,0,0]=3 1783 B12R1.25 CCNCc1cccc(c1Cl)Cl 207a_100015525214_100000210504 [0,1,0,0,0,0|2,0,0]=3 1784 B12R1.25 CCNCc1cccc(c1Cl)Cl 2230a_100011211633_100000210202 [0,1,0,0,0,0|2,0,0]=3 1785 B12R1.25 CCNCc1cccc(c1Cl)Cl 2230a_100015525214_100000723366 [0,1,0,0,0,0|2,0,0]=3 1786 B12R1.25 CCNCc1cccc(c1Cl)Cl 270004a_100015525214_100000210504 [0,1,0,0,0,0|2,0,0]=3 1787 B12R1.25 CCNCc1cccc(c1Cl)Cl 34a_100011211633_100000210202 [0,1,0,0,0,0|2,0,0]=3 1788 B12R1.25 CCNCc1cccc(c1Cl)F 207a_100015525214_100011998484 [0,1,0,0,0,0|2,0,0]=3 1789 B12R1.25 CCNCc1cccc(c1Cl)F 2230a_100012001614_100000210202 [0,1,0,0,0,0|2,0,0]=3 1790 B12R1.25 CCNCc1cccc(c1Cl)F 2230a_100015525214_100000696688 [0,1,0,0,0,0|2,0,0]=3 1791 B12R1.25 CCNCc1cccc(c1Cl)F 270004a_100015525214_100011998484 [0,1,0,0,0,0|2,0,0]=3 1792 B12R1.25 CCNCc1cccc(c1Cl)F 34a_100012001614_100000210202 [0,1,0,0,0,0|2,0,0]=3 1793 B12R1.25 CCNCc1cccc(c1Cl)O 270004a_100015525214_100000050521 [0,1,0,0,0,0|2,0,0]=3 1794 B12R1.25 CCNCc1cccc(c1F)Br 207a_100015525214_100011361543 [0,1,0,0,0,0|2,1,0]=4 1795 B12R1.25 CCNCc1cccc(c1F)Br 2230a_100015189953_100000210202 [0,1,0,0,0,0|2,1,0]=4 1796 B12R1.25 CCNCc1cccc(c1F)Br 2230a_100015525214_100012356506 [0,1,0,0,0,0|2,1,0]=4 1797 B12R1.25 CCNCc1cccc(c1F)Br 270004a_100015525214_100011361543 [0,1,0,0,0,0|2,1,0]=4 1798 B12R1.25 CCNCc1cccc(c1F)Br 34a_100015189953_100000210202 [0,1,0,0,0,0|2,1,0]=4 1799 B12R1.25 CCNCc1cccc(c1F)C 207a_100015525214_100011219516 [0,1,0,0,0,0|2,1,0]=4 1800 B12R1.25 CCNCc1cccc(c1F)C 2230a_100012002060_100000210202 [0,1,0,0,0,0|2,1,0]=4 1801 B12R1.25 CCNCc1cccc(c1F)C 2230a_100015525214_100011216058 [0,1,0,0,0,0|2,1,0]=4 1802 B12R1.25 CCNCc1cccc(c1F)C 270004a_100015525214_100011219516 [0,1,0,0,0,0|2,1,0]=4 1803 B12R1.25 CCNCc1cccc(c1F)C 34a_100012002060_100000210202 [0,1,0,0,0,0|2,1,0]=4 1804 B12R1.25 CCNCc1cccc(c1F)Cl 207a_100015525214_100000766533 [0,1,0,0,0,0|2,1,0]=4 1805 B12R1.25 CCNCc1cccc(c1F)Cl 2230a_100000764326_100000210202 [0,1,0,0,0,0|2,1,0]=4 1806 B12R1.25 CCNCc1cccc(c1F)Cl 2230a_100015525214_100000716733 [0,1,0,0,0,0|2,1,0]=4 1807 B12R1.25 CCNCc1cccc(c1F)Cl 270004a_100015525214_100000766533 [0,1,0,0,0,0|2,1,0]=4 1808 B12R1.25 CCNCc1cccc(c1F)Cl 34a_100000764326_100000210202 [0,1,0,0,0,0|2,1,0]=4 1809 B12R1.25 CCNCc1cccc(c1F)F 207a_100015525214_100000753312 [0,1,0,0,0,0|2,1,0]=4 1810 B12R1.25 CCNCc1cccc(c1F)F 2230a_100011199105_100000210202 [0,1,0,0,0,0|2,1,0]=4 1811 B12R1.25 CCNCc1cccc(c1F)F 2230a_100015525214_100000217499 [0,1,0,0,0,0|2,1,0]=4 1812 B12R1.25 CCNCc1cccc(c1F)F 270004a_100015525214_100000753312 [0,1,0,0,0,0|2,1,0]=4 1813 B12R1.25 CCNCc1cccc(c1F)F 34a_100011199105_100000210202 [0,1,0,0,0,0|2,1,0]=4 1814 B12R1.25 CCNCc1cccc(c1F)I 207a_100015525214_100010202174 [0,1,0,0,0,0|2,1,0]=4 1815 B12R1.25 CCNCc1cccc(c1F)I 270004a_100015525214_100010202174 [0,1,0,0,0,0|2,1,0]=4 1816 B12R1.25 CCNCc1cccc(c1F)O 34a_100025773512_100000210202 [0,1,0,0,0,0|2,1,0]=4 1817 B12R1.25 CCNCc1cccc(c1I)F 207a_100015525214_100010186293 [0,1,0,0,0,0|2,1,0]=4 1818 B12R1.25 CCNCc1cccc(c1I)F 2230a_100015525214_100010149603 [0,1,0,0,0,0|2,1,0]=4 1819 B12R1.25 CCNCc1cccc(c1I)F 270004a_100015525214_100010186293 [0,1,0,0,0,0|2,1,0]=4 1820 B12R1.25 CCNCc1cccc(c1O)C 34a_100020639391_100000210202 [0,1,0,0,0,0|3,0,0]=4 1821 B12R1.25 CCNCc1ccnc(c1Cl)Br 270004a_100015525214_100010171661 [0,1,0,0,0,0|3,0,0]=4 1822 B12R1.25 CCNCc1ccnc(c1Cl)F 270004a_100015525214_100009856171 [0,1,0,0,0,0|3,0,0]=4 1823 B12R1.25 CCNCc1cncc(c1Cl)Br 207a_100015525214_100010173560 [0,1,0,0,0,0|3,0,0]=4 1824 B12R1.25 CCOCc1cccc(c1Br)C 34a_100011659289_100000210202 [0,1,0,0,0,0|2,1,0]=4 1825 B12R1.25 CCOCc1cccc(c1Br)C 34a_100121572206_200012349612 [0,1,0,0,0,0|2,1,0]=4 1826 B12R1.25 CCOCc1cccc(c1Br)C 7a_100011659289_100000210202 [0,1,0,0,0,0|2,1,0]=4 1827 B12R1.25 CCOCc1cccc(c1Br)Cl 34a_100010168166_100000210202 [0,1,0,0,0,0|2,1,0]=4 1828 B12R1.25 CCOCc1cccc(c1Br)Cl 34a_100121572206_100010145525 [0,1,0,0,0,0|2,1,0]=4 1829 B12R1.25 CCOCc1cccc(c1Br)Cl 7a_100010168166_100000210202 [0,1,0,0,0,0|2,1,0]=4 1830 B12R1.25 CCOCc1cccc(c1Br)F 34a_100012351117_100000210202 [0,1,0,0,0,0|2,1,0]=4 1831 B12R1.25 CCOCc1cccc(c1Br)F 34a_100121572206_100012351116 [0,1,0,0,0,0|2,1,0]=4 1832 B12R1.25 CCOCc1cccc(c1Br)F 7a_100012351117_100000210202 [0,1,0,0,0,0|2,1,0]=4 1833 B12R1.25 CCOCc1cccc(c1Br)I 34a_100010240205_100000210202 [0,1,0,0,0,0|2,1,0]=4 1834 B12R1.25 CCOCc1cccc(c1Br)I 34a_100121572206_100010254545 [0,1,0,0,0,0|2,1,0]=4 1835 B12R1.25 CCOCc1cccc(c1Br)I 7a_100010240205_100000210202 [0,1,0,0,0,0|2,1,0]=4 1836 B12R1.25 CCOCc1cccc(c1C)Br 34a_100000694458_100000210202 [0,1,0,0,0,0|3,0,0]=4 1837 B12R1.25 CCOCc1cccc(c1C)Br 34a_100121572206_100000694682 [0,1,0,0,0,0|3,0,0]=4 1838 B12R1.25 CCOCc1cccc(c1C)Br 7a_100000694458_100000210202 [0,1,0,0,0,0|3,0,0]=4 1839 B12R1.25 CCOCc1cccc(c1C)C 34a_100011219135_100000210202 [0,1,0,0,0,0|3,0,0]=4 1840 B12R1.25 CCOCc1cccc(c1C)C 34a_100121572206_100011273979 [0,1,0,0,0,0|3,0,0]=4 1841 B12R1.25 CCOCc1cccc(c1C)C 7a_100011219135_100000210202 [0,1,0,0,0,0|3,0,0]=4 1842 B12R1.25 CCOCc1cccc(c1C)Cl 34a_100012000165_100000210202 [0,1,0,0,0,0|3,0,0]=4 1843 B12R1.25 CCOCc1cccc(c1C)Cl 34a_100121572206_100012186920 [0,1,0,0,0,0|3,0,0]=4 1844 B12R1.25 CCOCc1cccc(c1C)Cl 7a_100012000165_100000210202 [0,1,0,0,0,0|3,0,0]=4 1845 B12R1.25 CCOCc1cccc(c1C)F 34a_100000042775_100000210202 [0,1,0,0,0,0|3,0,0]=4 1846 B12R1.25 CCOCc1cccc(c1C)F 34a_100121572206_100009813626 [0,1,0,0,0,0|3,0,0]=4 1847 B12R1.25 CCOCc1cccc(c1C)F 7a_100000042775_100000210202 [0,1,0,0,0,0|3,0,0]=4 1848 B12R1.25 CCOCc1cccc(c1C)I 34a_100010150139_100000210202 [0,1,0,0,0,0|3,0,0]=4 1849 B12R1.25 CCOCc1cccc(c1C)I 34a_100121572206_100010150147 [0,1,0,0,0,0|3,0,0]=4 1850 B12R1.25 CCOCc1cccc(c1C)I 7a_100010150139_100000210202 [0,1,0,0,0,0|3,0,0]=4 1851 B12R1.25 CCOCc1cccc(c1C)N 34a_102495339961_100000210202 [0,1,0,0,0,0|3,0,0]=4 1852 B12R1.25 CCOCc1cccc(c1C)N 7a_102495339961_100000210202 [0,1,0,0,0,0|3,0,0]=4 1853 B12R1.25 CCOCc1cccc(c1Cl)Br 34a_100012351182_100000210202 [0,1,0,0,0,0|2,0,0]=3 1854 B12R1.25 CCOCc1cccc(c1Cl)Br 34a_100121572206_100012349491 [0,1,0,0,0,0|2,0,0]=3 1855 B12R1.25 CCOCc1cccc(c1Cl)Br 7a_100012351182_100000210202 [0,1,0,0,0,0|2,0,0]=3 1856 B12R1.25 CCOCc1cccc(c1Cl)C 34a_100000710031_100000210202 [0,1,0,0,0,0|2,0,0]=3 1857 B12R1.25 CCOCc1cccc(c1Cl)C 7a_100000710031_100000210202 [0,1,0,0,0,0|2,0,0]=3 1858 B12R1.25 CCOCc1cccc(c1Cl)Cl 34a_100000720469_100000210202 [0,1,0,0,0,0|2,0,0]=3 1859 B12R1.25 CCOCc1cccc(c1Cl)Cl 34a_100121572206_100000723366 [0,1,0,0,0,0|2,0,0]=3 1860 B12R1.25 CCOCc1cccc(c1Cl)Cl 7a_100000720469_100000210202 [0,1,0,0,0,0|2,0,0]=3 1861 B12R1.25 CCOCc1cccc(c1Cl)F 34a_100000696319_100000210202 [0,1,0,0,0,0|2,0,0]=3 1862 B12R1.25 CCOCc1cccc(c1Cl)F 34a_100121572206_100000696688 [0,1,0,0,0,0|2,0,0]=3 1863 B12R1.25 CCOCc1cccc(c1Cl)F 7a_100000696319_100000210202 [0,1,0,0,0,0|2,0,0]=3 1864 B12R1.25 CCOCc1cccc(c1F)Br 34a_100011935076_100000210202 [0,1,0,0,0,0|2,1,0]=4 1865 B12R1.25 CCOCc1cccc(c1F)Br 34a_100121572206_100012356506 [0,1,0,0,0,0|2,1,0]=4 1866 B12R1.25 CCOCc1cccc(c1F)Br 7a_100011935076_100000210202 [0,1,0,0,0,0|2,1,0]=4 1867 B12R1.25 CCOCc1cccc(c1F)C 34a_100121572206_100011216058 [0,1,0,0,0,0|2,1,0]=4 1868 B12R1.25 CCOCc1cccc(c1F)C 34a_200011219517_100000210202 [0,1,0,0,0,0|2,1,0]=4 1869 B12R1.25 CCOCc1cccc(c1F)C 7a_200011219517_100000210202 [0,1,0,0,0,0|2,1,0]=4 1870 B12R1.25 CCOCc1cccc(c1F)Cl 34a_100011216988_100000210202 [0,1,0,0,0,0|2,1,0]=4 1871 B12R1.25 CCOCc1cccc(c1F)Cl 34a_100121572206_100000716733 [0,1,0,0,0,0|2,1,0]=4 1872 B12R1.25 CCOCc1cccc(c1F)Cl 7a_100011216988_100000210202 [0,1,0,0,0,0|2,1,0]=4 1873 B12R1.25 CCOCc1cccc(c1F)F 34a_100011218644_100000210202 [0,1,0,0,0,0|2,1,0]=4 1874 B12R1.25 CCOCc1cccc(c1F)F 34a_100121572206_100000217499 [0,1,0,0,0,0|2,1,0]=4 1875 B12R1.25 CCOCc1cccc(c1F)F 7a_100011218644_100000210202 [0,1,0,0,0,0|2,1,0]=4 1876 B12R1.25 CCOCc1cccc(c1F)I 34a_200010235739_100000210202 [0,1,0,0,0,0|2,1,0]=4 1877 B12R1.25 CCOCc1cccc(c1F)I 7a_200010235739_100000210202 [0,1,0,0,0,0|2,1,0]=4 1878 B12R1.25 CCOCc1cccc(c1F)N 34a_100012023829_100000210202 [0,1,0,0,0,0|2,1,0]=4 1879 B12R1.25 CCOCc1cccc(c1I)Br 34a_100010146604_100000210202 [0,1,0,0,0,0|2,1,0]=4 1880 B12R1.25 CCOCc1cccc(c1I)Br 7a_100010146604_100000210202 [0,1,0,0,0,0|2,1,0]=4 1881 B12R1.25 CCOCc1cccc(c1I)C 34a_100012349780_100000210202 [0,1,0,0,0,0|2,1,0]=4 1882 B12R1.25 CCOCc1cccc(c1I)C 7a_100012349780_100000210202 [0,1,0,0,0,0|2,1,0]=4 1883 B12R1.25 CCOCc1cccc(c1I)F 34a_100000692438_100000210202 [0,1,0,0,0,0|2,1,0]=4 1884 B12R1.25 CCOCc1cccc(c1I)F 34a_100121572206_100010149603 [0,1,0,0,0,0|2,1,0]=4 1885 B12R1.25 CCOCc1cccc(c1I)F 7a_100000692438_100000210202 [0,1,0,0,0,0|2,1,0]=4 1886 B12R1.25 CCOCc1cccc(c1N)Br 34a_100012349457_100000210202 [0,1,0,0,0,0|3,0,0]=4 1887 B12R1.25 CCOCc1cccc(c1N)C 34a_100011215590_100000210202 [0,1,0,0,0,0|3,0,0]=4 1888 B12R1.25 CCOCc1cccc(c1N)Cl 34a_100012182729_100000210202 [0,1,0,0,0,0|3,0,0]=4 1889 B12R1.25 CCOCc1cccc(c1N)F 34a_100000692437_100000210202 [0,1,0,0,0,0|3,0,0]=4 1890 B12R1.25 CCSCc1cccc(c1Br)C 62a_100000210202_200012349612 [0,1,0,0,0,0|2,1,0]=4 1891 B12R1.25 CCSCc1cccc(c1Br)C 62a_200012349612_100000210202 [0,1,0,0,0,0|2,1,0]=4 1892 B12R1.25 CCSCc1cccc(c1Br)Cl 62a_100000210202_100010145525 [0,1,0,0,0,0|2,1,0]=4 1893 B12R1.25 CCSCc1cccc(c1Br)Cl 62a_100010145525_100000210202 [0,1,0,0,0,0|2,1,0]=4 1894 B12R1.25 CCSCc1cccc(c1Br)F 62a_100000210202_100012351116 [0,1,0,0,0,0|2,1,0]=4 1895 B12R1.25 CCSCc1cccc(c1Br)F 62a_100012351116_100000210202 [0,1,0,0,0,0|2,1,0]=4 1896 B12R1.25 CCSCc1cccc(c1Br)I 62a_100000210202_100010254545 [0,1,0,0,0,0|2,1,0]=4 1897 B12R1.25 CCSCc1cccc(c1Br)I 62a_100010254545_100000210202 [0,1,0,0,0,0|2,1,0]=4 1898 B12R1.25 CCSCc1cccc(c1C)Br 62a_100000210202_100000694682 [0,1,0,0,0,0|3,0,0]=4 1899 B12R1.25 CCSCc1cccc(c1C)Br 62a_100000694682_100000210202 [0,1,0,0,0,0|3,0,0]=4 1900 B12R1.25 CCSCc1cccc(c1C)C 62a_100000210202_100011515928 [0,1,0,0,0,0|3,0,0]=4 1901 B12R1.25 CCSCc1cccc(c1C)C 62a_100011515928_100000210202 [0,1,0,0,0,0|3,0,0]=4 1902 B12R1.25 CCSCc1cccc(c1C)Cl 62a_100000210202_100012186920 [0,1,0,0,0,0|3,0,0]=4 1903 B12R1.25 CCSCc1cccc(c1C)Cl 62a_100012186920_100000210202 [0,1,0,0,0,0|3,0,0]=4 1904 B12R1.25 CCSCc1cccc(c1C)F 62a_100000210202_100009813626 [0,1,0,0,0,0|3,0,0]=4 1905 B12R1.25 CCSCc1cccc(c1C)F 62a_100009813626_100000210202 [0,1,0,0,0,0|3,0,0]=4 1906 B12R1.25 CCSCc1cccc(c1C)I 62a_100000210202_100010150147 [0,1,0,0,0,0|3,0,0]=4 1907 B12R1.25 CCSCc1cccc(c1C)I 62a_100010150147_100000210202 [0,1,0,0,0,0|3,0,0]=4 1908 B12R1.25 CCSCc1cccc(c1Cl)Br 62a_100000210202_100012349491 [0,1,0,0,0,0|2,0,0]=3 1909 B12R1.25 CCSCc1cccc(c1Cl)Br 62a_100012349491_100000210202 [0,1,0,0,0,0|2,0,0]=3 1910 B12R1.25 CCSCc1cccc(c1Cl)Cl 62a_100000210202_100000723366 [0,1,0,0,0,0|2,0,0]=3 1911 B12R1.25 CCSCc1cccc(c1Cl)Cl 62a_100000720918_100000210202 [0,1,0,0,0,0|2,0,0]=3 1912 B12R1.25 CCSCc1cccc(c1Cl)F 62a_100000210202_100000696688 [0,1,0,0,0,0|2,0,0]=3 1913 B12R1.25 CCSCc1cccc(c1Cl)F 62a_100000696688_100000210202 [0,1,0,0,0,0|2,0,0]=3 1914 B12R1.25 CCSCc1cccc(c1F)Br 62a_100000210202_100012356506 [0,1,0,0,0,0|2,1,0]=4 1915 B12R1.25 CCSCc1cccc(c1F)Br 62a_100012356506_100000210202 [0,1,0,0,0,0|2,1,0]=4 1916 B12R1.25 CCSCc1cccc(c1F)C 62a_100000210202_100011216058 [0,1,0,0,0,0|2,1,0]=4 1917 B12R1.25 CCSCc1cccc(c1F)C 62a_100011216058_100000210202 [0,1,0,0,0,0|2,1,0]=4 1918 B12R1.25 CCSCc1cccc(c1F)Cl 62a_100000210202_100000716733 [0,1,0,0,0,0|2,1,0]=4 1919 B12R1.25 CCSCc1cccc(c1F)Cl 62a_100000716733_100000210202 [0,1,0,0,0,0|2,1,0]=4 1920 B12R1.25 CCSCc1cccc(c1F)F 62a_100000210202_100000217499 [0,1,0,0,0,0|2,1,0]=4 1921 B12R1.25 CCSCc1cccc(c1F)F 62a_100000217499_100000210202 [0,1,0,0,0,0|2,1,0]=4 1922 B12R1.25 CCSCc1cccc(c1I)F 62a_100000210202_100010149603 [0,1,0,0,0,0|2,1,0]=4 1923 B12R1.25 CCSCc1cccc(c1I)F 62a_100010149603_100000210202 [0,1,0,0,0,0|2,1,0]=4 1924 B12R1.25 CNCCc1cccc(c1C)Br 2230a_100161000114_200000210301 [0,1,0,0,0,0|1,0,0]=2 1925 B12R1.25 CNCCc1cccc(c1C)Br 34a_100161000114_200000210301 [0,1,0,0,0,0|1,0,0]=2 1926 B12R1.25 CNCCc1cccc(c1Cl)Cl 2230a_100000741019_200000210301 [0,1,0,0,0,0|0,0,0]=1 1927 B12R1.25 CNCCc1cccc(c1Cl)Cl 2230a_106832991635_100000723033 [0,1,0,0,0,0|0,0,0]=1 1928 B12R1.25 CNCCc1cccc(c1Cl)Cl 34a_100000741019_200000210301 [0,1,0,0,0,0|0,0,0]=1 1929 B12R1.25 CNCCc1cccc(c1Cl)Cl 34a_100102657272_100000723033 [0,1,0,0,0,0|0,0,0]=1 1930 B12R1.25 CNCCc1cccc(c1Cl)Cl 7a_106832991635_100000723033 [0,1,0,0,0,0|0,0,0]=1 1931 B12R1.25 COCCc1cccc(c1Cl)Cl 34a_100011754357_200000210301 [0,1,0,0,0,0|1,0,0]=2 1932 B12R1.25 COCCc1cccc(c1Cl)Cl 34a_100138415774_100000723033 [0,1,0,0,0,0|1,0,0]=2 1933 B12R1.25 COCCc1cccc(c1Cl)Cl 7a_100011754357_200000210301 [0,1,0,0,0,0|1,0,0]=2 1934 B12R1.25 COCCc1cccc(c1F)Cl 34a_100011830271_200000210301 [0,1,0,0,0,0|1,1,0]=3 1935 B12R1.25 COCCc1cccc(c1F)Cl 7a_100011830271_200000210301 [0,1,0,0,0,0|1,1,0]=3 1936 B12R1.25 COCCc1cccc(c1F)F 34a_100000698707_200000210301 [0,1,0,0,0,0|1,1,0]=3 1937 B12R1.25 COCCc1cccc(c1F)F 7a_100000698707_200000210301 [0,1,0,0,0,0|1,1,0]=3 1938 B12R1.25 COCNc1cccc(c1C)C 2230a_100000210026_100000766300 [0,1,0,0,0,0|3,0,0]=4 1939 B12R1.25 COCNc1cccc(c1C)Cl 2230a_100000210441_100000766300 [0,1,0,0,0,0|3,0,0]=4 1940 B12R1.25 COCNc1cccc(c1F)Br 2230a_100011935091_100000766300 [0,1,0,0,0,0|2,1,0]=4 1941 B12R1.25 COCNc1cccc(c1F)C 2230a_100000697159_100000766300 [0,1,0,0,0,0|2,1,0]=4 1942 B12R1.25 COCNc1cccc(c1F)Cl 2230a_100000199060_100000766300 [0,1,0,0,0,0|2,1,0]=4 1943 B12R1.25 COCSc1cccc(c1Br)Br 62a_100000766300_100010175083 [0,1,0,0,0,0|2,1,0]=4 1944 B12R1.25 COCSc1cccc(c1Br)Br 62a_100010175083_100000766300 [0,1,0,0,0,0|2,1,0]=4 1945 B12R1.25 COCSc1cccc(c1Br)C 62a_100000766300_100012362457 [0,1,0,0,0,0|2,1,0]=4 1946 B12R1.25 COCSc1cccc(c1Br)C 62a_100012362457_100000766300 [0,1,0,0,0,0|2,1,0]=4 1947 B12R1.25 COCSc1cccc(c1Br)Cl 62a_100000766300_100014021842 [0,1,0,0,0,0|2,1,0]=4 1948 B12R1.25 COCSc1cccc(c1Br)Cl 62a_100014021842_100000766300 [0,1,0,0,0,0|2,1,0]=4 1949 B12R1.25 COCSc1cccc(c1Br)F 62a_100000766300_100010202630 [0,1,0,0,0,0|2,1,0]=4 1950 B12R1.25 COCSc1cccc(c1Br)F 62a_100010202630_100000766300 [0,1,0,0,0,0|2,1,0]=4 1951 B12R1.25 COCSc1cccc(c1Br)O 62a_100000766300_100010187914 [0,1,0,0,0,0|2,1,0]=4 1952 B12R1.25 COCSc1cccc(c1Br)O 62a_100010187914_100000766300 [0,1,0,0,0,0|2,1,0]=4 1953 B12R1.25 COCSc1cccc(c1C)Br 62a_100000766300_100012353703 [0,1,0,0,0,0|3,0,0]=4 1954 B12R1.25 COCSc1cccc(c1C)Br 62a_100012353703_100000766300 [0,1,0,0,0,0|3,0,0]=4 1955 B12R1.25 COCSc1cccc(c1C)C 62a_100000766300_100011214922 [0,1,0,0,0,0|3,0,0]=4 1956 B12R1.25 COCSc1cccc(c1C)C 62a_100011214922_100000766300 [0,1,0,0,0,0|3,0,0]=4 1957 B12R1.25 COCSc1cccc(c1C)Cl 62a_100000726075_100000766300 [0,1,0,0,0,0|3,0,0]=4 1958 B12R1.25 COCSc1cccc(c1C)Cl 62a_100000766300_100000726075 [0,1,0,0,0,0|3,0,0]=4 1959 B12R1.25 COCSc1cccc(c1C)F 62a_100000766300_100011216893 [0,1,0,0,0,0|3,0,0]=4 1960 B12R1.25 COCSc1cccc(c1C)F 62a_100011216893_100000766300 [0,1,0,0,0,0|3,0,0]=4 1961 B12R1.25 COCSc1cccc(c1C)N 62a_100000761887_100000766300 [0,1,0,0,0,0|3,0,0]=4 1962 B12R1.25 COCSc1cccc(c1C)N 62a_100000766300_100000761887 [0,1,0,0,0,0|3,0,0]=4 1963 B12R1.25 COCSc1cccc(c1C)O 62a_100000766300_100012002258 [0,1,0,0,0,0|3,0,0]=4 1964 B12R1.25 COCSc1cccc(c1C)O 62a_100012002258_100000766300 [0,1,0,0,0,0|3,0,0]=4 1965 B12R1.25 COCSc1cccc(c1Cl)Br 62a_100000766300_100010142854 [0,1,0,0,0,0|2,0,0]=3 1966 B12R1.25 COCSc1cccc(c1Cl)Br 62a_100010142854_100000766300 [0,1,0,0,0,0|2,0,0]=3 1967 B12R1.25 COCSc1cccc(c1Cl)C 62a_100000766300_200012352035 [0,1,0,0,0,0|2,0,0]=3 1968 B12R1.25 COCSc1cccc(c1Cl)C 62a_200012352035_100000766300 [0,1,0,0,0,0|2,0,0]=3 1969 B12R1.25 COCSc1cccc(c1Cl)Cl 62a_100000766300_100011215384 [0,1,0,0,0,0|2,0,0]=3 1970 B12R1.25 COCSc1cccc(c1Cl)Cl 62a_100011215384_100000766300 [0,1,0,0,0,0|2,0,0]=3 1971 B12R1.25 COCSc1cccc(c1Cl)F 62a_100000766300_200010234923 [0,1,0,0,0,0|2,0,0]=3 1972 B12R1.25 COCSc1cccc(c1Cl)F 62a_200010234923_100000766300 [0,1,0,0,0,0|2,0,0]=3 1973 B12R1.25 COCSc1cccc(c1Cl)O 62a_100000766300_100000049636 [0,1,0,0,0,0|2,0,0]=3 1974 B12R1.25 COCSc1cccc(c1F)Br 62a_100000702267_100000766300 [0,1,0,0,0,0|2,1,0]=4 1975 B12R1.25 COCSc1cccc(c1F)Br 62a_100000766300_100000702267 [0,1,0,0,0,0|2,1,0]=4 1976 B12R1.25 COCSc1cccc(c1F)C 62a_100000717567_100000766300 [0,1,0,0,0,0|2,1,0]=4 1977 B12R1.25 COCSc1cccc(c1F)C 62a_100000766300_100000717567 [0,1,0,0,0,0|2,1,0]=4 1978 B12R1.25 COCSc1cccc(c1F)Cl 62a_100000766300_100011217346 [0,1,0,0,0,0|2,1,0]=4 1979 B12R1.25 COCSc1cccc(c1F)Cl 62a_100011217346_100000766300 [0,1,0,0,0,0|2,1,0]=4 1980 B12R1.25 COCSc1cccc(c1F)F 62a_100000694657_100000766300 [0,1,0,0,0,0|2,1,0]=4 1981 B12R1.25 COCSc1cccc(c1F)F 62a_100000766300_100000694657 [0,1,0,0,0,0|2,1,0]=4 1982 B12R1.25 COCSc1cccc(c1F)N 62a_100000766300_100011935091 [0,1,0,0,0,0|2,1,0]=4 1983 B12R1.25 COCSc1cccc(c1F)N 62a_100011935091_100000766300 [0,1,0,0,0,0|2,1,0]=4 1984 B12R1.25 COCSc1cccc(c1F)O 62a_100000766300_100009817021 [0,1,0,0,0,0|2,1,0]=4 1985 B12R1.25 COCSc1cccc(c1F)O 62a_100009817021_100000766300 [0,1,0,0,0,0|2,1,0]=4 1986 B12R1.25 COCSc1cccc(c1N)Br 62a_100000766300_100010146558 [0,1,0,0,0,0|3,0,0]=4 1987 B12R1.25 COCSc1cccc(c1N)Br 62a_100010146558_100000766300 [0,1,0,0,0,0|3,0,0]=4 1988 B12R1.25 COCSc1cccc(c1N)C 62a_100000766300_100011834072 [0,1,0,0,0,0|3,0,0]=4 1989 B12R1.25 COCSc1cccc(c1N)C 62a_100011834072_100000766300 [0,1,0,0,0,0|3,0,0]=4 1990 B12R1.25 COCSc1cccc(c1N)Cl 62a_100000766300_100010190421 [0,1,0,0,0,0|3,0,0]=4 1991 B12R1.25 COCSc1cccc(c1N)Cl 62a_100010190421_100000766300 [0,1,0,0,0,0|3,0,0]=4 1992 B12R1.25 COCSc1cccc(c1N)F 62a_100000042321_100000766300 [0,1,0,0,0,0|3,0,0]=4 1993 B12R1.25 COCSc1cccc(c1N)F 62a_100000766300_100000042321 [0,1,0,0,0,0|3,0,0]=4 1994 B12R1.25 COCSc1cccc(c1N)N 62a_100015191791_100000766300 [0,1,0,0,0,0|3,0,0]=4 1995 B12R1.25 COCSc1cccc(c1N)O 62a_100000766300_100011934926 [0,1,0,0,0,0|3,0,0]=4 1996 B12R1.25 COCSc1cccc(c1O)Br 62a_100000766300_100010084509 [0,1,0,0,0,0|3,0,0]=4 1997 B12R1.25 COCSc1cccc(c1O)Br 62a_100010084509_100000766300 [0,1,0,0,0,0|3,0,0]=4 1998 B12R1.25 COCSc1cccc(c1O)C 62a_100000766300_100009817157 [0,1,0,0,0,0|3,0,0]=4 1999 B12R1.25 COCSc1cccc(c1O)C 62a_100009817157_100000766300 [0,1,0,0,0,0|3,0,0]=4 2000 B12R1.25 COCSc1cccc(c1O)Cl 62a_100000766300_100010202889 [0,1,0,0,0,0|3,0,0]=4 2001 B12R1.25 COCSc1cccc(c1O)Cl 62a_100010202889_100000766300 [0,1,0,0,0,0|3,0,0]=4 2002 B12R1.25 COCSc1cccc(c1O)F 62a_100000766300_100009813666 [0,1,0,0,0,0|3,0,0]=4 2003 B12R1.25 COCSc1cccc(c1O)F 62a_100009813666_100000766300 [0,1,0,0,0,0|3,0,0]=4 2004 B12R1.25 COCSc1cccc(c1O)N 62a_100000766300_100010084371 [0,1,0,0,0,0|3,0,0]=4 2005 B12R1.25 COCSc1cccc(c1O)N 62a_100011934915_100000766300 [0,1,0,0,0,0|3,0,0]=4 2006 B12R1.25 COCSc1cccc(c1O)O 62a_100000766300_100009815950 [0,1,0,0,0,0|3,0,0]=4 2007 B12R1.25 COCSc1ccnc(c1Cl)C 62a_100000698670_100000766300 [0,1,0,0,0,0|3,0,0]=4 2008 B12R1.25 COCSc1ccnc(c1Cl)C 62a_100000766300_100000698670 [0,1,0,0,0,0|3,0,0]=4 2009 B12R1.25 COCSc1ccnc(c1Cl)Cl 62a_100000766300_100010246212 [0,1,0,0,0,0|3,0,0]=4 2010 B12R1.25 COCSc1ccnc(c1Cl)Cl 62a_100010246212_100000766300 [0,1,0,0,0,0|3,0,0]=4 2011 B12R1.25 COCSc1ccnc(c1Cl)F 62a_100000766300_100010067886 [0,1,0,0,0,0|3,0,0]=4 2012 B12R1.25 COCSc1ccnc(c1Cl)F 62a_100010067886_100000766300 [0,1,0,0,0,0|3,0,0]=4 2013 B12R1.25 COCSc1ccnc(c1Cl)N 62a_100000766300_100010735111 [0,1,0,0,0,0|3,0,0]=4 2014 B12R1.25 COCSc1ccnc(c1Cl)N 62a_100010735111_100000766300 [0,1,0,0,0,0|3,0,0]=4 2015 B12R1.25 CSCCc1cccc(c1Cl)Cl 62a_100000723033_200000210301 [0,1,0,0,0,0|1,0,0]=2 2016 B12R1.25 CSCCc1cccc(c1Cl)Cl 62a_200000210301_100000723033 [0,1,0,0,0,0|1,0,0]=2 2017 B12R1.25 CSCNc1cccc(c1Br)C 34a_100000684715_100011218213 [0,1,0,0,0,0|2,1,0]=4 2018 B12R1.25 CSCNc1cccc(c1Br)Cl 34a_100000687072_100011218213 [0,1,0,0,0,0|2,1,0]=4 2019 B12R1.25 CSCNc1cccc(c1Br)F 34a_100011934729_100011218213 [0,1,0,0,0,0|2,1,0]=4 2020 B12R1.25 CSCNc1cccc(c1Br)O 34a_100012183704_100011218213 [0,1,0,0,0,0|2,1,0]=4 2021 B12R1.25 CSCNc1cccc(c1C)Br 34a_100000750434_100011218213 [0,1,0,0,0,0|3,0,0]=4 2022 B12R1.25 CSCNc1cccc(c1C)C 2230a_100000210026_100011218213 [0,1,0,0,0,0|3,0,0]=4 2023 B12R1.25 CSCNc1cccc(c1C)C 34a_100000210026_100011218213 [0,1,0,0,0,0|3,0,0]=4 2024 B12R1.25 CSCNc1cccc(c1C)Cl 2230a_100000210441_100011218213 [0,1,0,0,0,0|3,0,0]=4 2025 B12R1.25 CSCNc1cccc(c1C)Cl 34a_100000210441_100011218213 [0,1,0,0,0,0|3,0,0]=4 2026 B12R1.25 CSCNc1cccc(c1C)F 34a_100000745574_100011218213 [0,1,0,0,0,0|3,0,0]=4 2027 B12R1.25 CSCNc1cccc(c1C)I 34a_100000761887_100011218213 [0,1,0,0,0,0|3,0,0]=4 2028 B12R1.25 CSCNc1cccc(c1C)O 34a_100011216573_100011218213 [0,1,0,0,0,0|3,0,0]=4 2029 B12R1.25 CSCNc1cccc(c1Cl)Br 34a_100000687075_100011218213 [0,1,0,0,0,0|2,0,0]=3 2030 B12R1.25 CSCNc1cccc(c1Cl)C 34a_100000765562_100011218213 [0,1,0,0,0,0|2,0,0]=3 2031 B12R1.25 CSCNc1cccc(c1Cl)Cl 34a_100000185733_100011218213 [0,1,0,0,0,0|2,0,0]=3 2032 B12R1.25 CSCNc1cccc(c1Cl)F 34a_100000692321_100011218213 [0,1,0,0,0,0|2,0,0]=3 2033 B12R1.25 CSCNc1cccc(c1Cl)O 34a_100012002038_100011218213 [0,1,0,0,0,0|2,0,0]=3 2034 B12R1.25 CSCNc1cccc(c1F)Br 2230a_100011935091_100011218213 [0,1,0,0,0,0|2,1,0]=4 2035 B12R1.25 CSCNc1cccc(c1F)Br 34a_100011935091_100011218213 [0,1,0,0,0,0|2,1,0]=4 2036 B12R1.25 CSCNc1cccc(c1F)C 2230a_100000697159_100011218213 [0,1,0,0,0,0|2,1,0]=4 2037 B12R1.25 CSCNc1cccc(c1F)C 34a_100000697159_100011218213 [0,1,0,0,0,0|2,1,0]=4 2038 B12R1.25 CSCNc1cccc(c1F)Cl 2230a_100000199060_100011218213 [0,1,0,0,0,0|2,1,0]=4 2039 B12R1.25 CSCNc1cccc(c1F)Cl 34a_100000199060_100011218213 [0,1,0,0,0,0|2,1,0]=4 2040 B12R1.25 CSCNc1cccc(c1F)F 34a_100000743855_100011218213 [0,1,0,0,0,0|2,1,0]=4 2041 B12R1.25 CSCNc1cccc(c1I)Br 34a_100020590159_100011218213 [0,1,0,0,0,0|2,1,0]=4 2042 B12R1.25 CSCNc1cccc(c1I)C 34a_100000761888_100011218213 [0,1,0,0,0,0|2,1,0]=4 2043 B12R1.25 CSCNc1cccc(c1I)Cl 34a_100000049713_100011218213 [0,1,0,0,0,0|2,1,0]=4 2044 B12R1.25 CSCNc1cccc(c1I)F 34a_100000690935_100011218213 [0,1,0,0,0,0|2,1,0]=4 2045 B12R1.25 CSCNc1cccc(c1O)Br 34a_100011934915_100011218213 [0,1,0,0,0,0|3,0,0]=4 2046 B12R1.25 CSCNc1cccc(c1O)C 34a_100000756359_100011218213 [0,1,0,0,0,0|3,0,0]=4 2047 B12R1.25 CSCNc1cccc(c1O)Cl 34a_100000754742_100011218213 [0,1,0,0,0,0|3,0,0]=4 2048 B12R1.25 CSCNc1cccc(c1O)F 34a_100011934987_100011218213 [0,1,0,0,0,0|3,0,0]=4 2049 B12R1.25 CSCOc1cccc(c1Br)Br 34a_100010187966_100011218213 [0,1,0,0,0,0|2,1,0]=4 2050 B12R1.25 CSCOc1cccc(c1Br)C 34a_100000686692_100011218213 [0,1,0,0,0,0|2,1,0]=4 2051 B12R1.25 CSCOc1cccc(c1Br)Cl 34a_100012348804_100011218213 [0,1,0,0,0,0|2,1,0]=4 2052 B12R1.25 CSCOc1cccc(c1Br)F 34a_100009820682_100011218213 [0,1,0,0,0,0|2,1,0]=4 2053 B12R1.25 CSCOc1cccc(c1Br)I 34a_100010187914_100011218213 [0,1,0,0,0,0|2,1,0]=4 2054 B12R1.25 CSCOc1cccc(c1Br)N 34a_100012183704_100011218213 [0,1,0,0,0,0|2,1,0]=4 2055 B12R1.25 CSCOc1cccc(c1C)Br 34a_100012002258_100011218213 [0,1,0,0,0,0|3,0,0]=4 2056 B12R1.25 CSCOc1cccc(c1C)C 34a_100000185855_100011218213 [0,1,0,0,0,0|3,0,0]=4 2057 B12R1.25 CSCOc1cccc(c1C)Cl 34a_100011265684_100011218213 [0,1,0,0,0,0|3,0,0]=4 2058 B12R1.25 CSCOc1cccc(c1C)F 34a_100011217231_100011218213 [0,1,0,0,0,0|3,0,0]=4 2059 B12R1.25 CSCOc1cccc(c1C)N 34a_100011216573_100011218213 [0,1,0,0,0,0|3,0,0]=4 2060 B12R1.25 CSCOc1cccc(c1Cl)Br 34a_100010187913_100011218213 [0,1,0,0,0,0|2,0,0]=3 2061 B12R1.25 CSCOc1cccc(c1Cl)C 34a_100000695629_100011218213 [0,1,0,0,0,0|2,0,0]=3 2062 B12R1.25 CSCOc1cccc(c1Cl)Cl 34a_100000211076_100011218213 [0,1,0,0,0,0|2,0,0]=3 2063 B12R1.25 CSCOc1cccc(c1Cl)F 34a_100000087408_100011218213 [0,1,0,0,0,0|2,0,0]=3 2064 B12R1.25 CSCOc1cccc(c1Cl)I 34a_100000049636_100011218213 [0,1,0,0,0,0|2,0,0]=3 2065 B12R1.25 CSCOc1cccc(c1Cl)N 34a_100012002038_100011218213 [0,1,0,0,0,0|2,0,0]=3 2066 B12R1.25 CSCOc1cccc(c1F)Br 34a_100009817021_100011218213 [0,1,0,0,0,0|2,1,0]=4 2067 B12R1.25 CSCOc1cccc(c1F)C 34a_100000751311_100011218213 [0,1,0,0,0,0|2,1,0]=4 2068 B12R1.25 CSCOc1cccc(c1F)Cl 34a_100000687438_100011218213 [0,1,0,0,0,0|2,1,0]=4 2069 B12R1.25 CSCOc1cccc(c1F)F 34a_100000751161_100011218213 [0,1,0,0,0,0|2,1,0]=4 2070 B12R1.25 CSCOc1cccc(c1I)Br 34a_100010187912_100011218213 [0,1,0,0,0,0|2,1,0]=4 2071 B12R1.25 CSCOc1cccc(c1I)C 34a_100010083724_100011218213 [0,1,0,0,0,0|2,1,0]=4 2072 B12R1.25 CSCOc1cccc(c1I)Cl 34a_100000050174_100011218213 [0,1,0,0,0,0|2,1,0]=4 2073 B12R1.25 CSCOc1cccc(c1I)F 34a_100000690913_100011218213 [0,1,0,0,0,0|2,1,0]=4 2074 B12R1.25 CSCOc1cccc(c1N)Br 34a_100011934926_100011218213 [0,1,0,0,0,0|3,0,0]=4 2075 B12R1.25 CSCOc1cccc(c1N)C 34a_100000743429_100011218213 [0,1,0,0,0,0|3,0,0]=4 2076 B12R1.25 CSCOc1cccc(c1N)Cl 34a_100012022510_100011218213 [0,1,0,0,0,0|3,0,0]=4 2077 B12R1.25 CSCOc1cccc(c1N)F 34a_100020591140_100011218213 [0,1,0,0,0,0|3,0,0]=4 2078 B12R1.25 CSCOc1cccc(c1N)I 34a_200000049512_100011218213 [0,1,0,0,0,0|3,0,0]=4 2079 B12R1.25 CSCOc1cccc(c1N)N 34a_100000033209_100011218213 [0,1,0,0,0,0|3,0,0]=4 2080 B12R1.25 CSCOc1ccnc(c1Cl)Cl 34a_100009860235_100011218213 [0,1,0,0,0,0|3,0,0]=4 2081 B12R1.25 CSCOc1nccc(c1Cl)N 34a_200000093555_100011218213 [0,1,0,0,0,0|3,0,0]=4 2082 B12R1.25 CSCSc1cccc(c1Br)Br 62a_100010175083_100011218213 [0,1,0,0,0,0|2,1,0]=4 2083 B12R1.25 CSCSc1cccc(c1Br)Br 62a_100011218213_100010175083 [0,1,0,0,0,0|2,1,0]=4 2084 B12R1.25 CSCSc1cccc(c1Br)C 62a_100011218213_100012362457 [0,1,0,0,0,0|2,1,0]=4 2085 B12R1.25 CSCSc1cccc(c1Br)C 62a_100012362457_100011218213 [0,1,0,0,0,0|2,1,0]=4 2086 B12R1.25 CSCSc1cccc(c1Br)Cl 62a_100011218213_100014021842 [0,1,0,0,0,0|2,1,0]=4 2087 B12R1.25 CSCSc1cccc(c1Br)Cl 62a_100014021842_100011218213 [0,1,0,0,0,0|2,1,0]=4 2088 B12R1.25 CSCSc1cccc(c1Br)F 62a_100010202630_100011218213 [0,1,0,0,0,0|2,1,0]=4 2089 B12R1.25 CSCSc1cccc(c1Br)F 62a_100011218213_100010202630 [0,1,0,0,0,0|2,1,0]=4 2090 B12R1.25 CSCSc1cccc(c1Br)O 62a_100010187914_100011218213 [0,1,0,0,0,0|2,1,0]=4 2091 B12R1.25 CSCSc1cccc(c1Br)O 62a_100011218213_100010187914 [0,1,0,0,0,0|2,1,0]=4 2092 B12R1.25 CSCSc1cccc(c1C)Br 62a_100011218213_100012353703 [0,1,0,0,0,0|3,0,0]=4 2093 B12R1.25 CSCSc1cccc(c1C)Br 62a_100012353703_100011218213 [0,1,0,0,0,0|3,0,0]=4 2094 B12R1.25 CSCSc1cccc(c1C)C 62a_100011214922_100011218213 [0,1,0,0,0,0|3,0,0]=4 2095 B12R1.25 CSCSc1cccc(c1C)C 62a_100011218213_100011214922 [0,1,0,0,0,0|3,0,0]=4 2096 B12R1.25 CSCSc1cccc(c1C)Cl 62a_100000726075_100011218213 [0,1,0,0,0,0|3,0,0]=4 2097 B12R1.25 CSCSc1cccc(c1C)Cl 62a_100011218213_100000726075 [0,1,0,0,0,0|3,0,0]=4 2098 B12R1.25 CSCSc1cccc(c1C)F 62a_100011216893_100011218213 [0,1,0,0,0,0|3,0,0]=4 2099 B12R1.25 CSCSc1cccc(c1C)F 62a_100011218213_100011216893 [0,1,0,0,0,0|3,0,0]=4 2100 B12R1.25 CSCSc1cccc(c1C)N 62a_100000761887_100011218213 [0,1,0,0,0,0|3,0,0]=4 2101 B12R1.25 CSCSc1cccc(c1C)N 62a_100011218213_100000761887 [0,1,0,0,0,0|3,0,0]=4 2102 B12R1.25 CSCSc1cccc(c1C)O 62a_100011218213_100012002258 [0,1,0,0,0,0|3,0,0]=4 2103 B12R1.25 CSCSc1cccc(c1C)O 62a_100012002258_100011218213 [0,1,0,0,0,0|3,0,0]=4 2104 B12R1.25 CSCSc1cccc(c1Cl)Br 62a_100010142854_100011218213 [0,1,0,0,0,0|2,0,0]=3 2105 B12R1.25 CSCSc1cccc(c1Cl)Br 62a_100011218213_100010142854 [0,1,0,0,0,0|2,0,0]=3 2106 B12R1.25 CSCSc1cccc(c1Cl)C 62a_100011218213_200012352035 [0,1,0,0,0,0|2,0,0]=3 2107 B12R1.25 CSCSc1cccc(c1Cl)C 62a_200012352035_100011218213 [0,1,0,0,0,0|2,0,0]=3 2108 B12R1.25 CSCSc1cccc(c1Cl)Cl 62a_100011215384_100011218213 [0,1,0,0,0,0|2,0,0]=3 2109 B12R1.25 CSCSc1cccc(c1Cl)Cl 62a_100011218213_100011215384 [0,1,0,0,0,0|2,0,0]=3 2110 B12R1.25 CSCSc1cccc(c1Cl)F 62a_100011218213_200010234923 [0,1,0,0,0,0|2,0,0]=3 2111 B12R1.25 CSCSc1cccc(c1Cl)F 62a_200010234923_100011218213 [0,1,0,0,0,0|2,0,0]=3 2112 B12R1.25 CSCSc1cccc(c1Cl)O 62a_100011218213_100000049636 [0,1,0,0,0,0|2,0,0]=3 2113 B12R1.25 CSCSc1cccc(c1F)Br 62a_100000702267_100011218213 [0,1,0,0,0,0|2,1,0]=4 2114 B12R1.25 CSCSc1cccc(c1F)Br 62a_100011218213_100000702267 [0,1,0,0,0,0|2,1,0]=4 2115 B12R1.25 CSCSc1cccc(c1F)C 62a_100000717567_100011218213 [0,1,0,0,0,0|2,1,0]=4 2116 B12R1.25 CSCSc1cccc(c1F)C 62a_100011218213_100000717567 [0,1,0,0,0,0|2,1,0]=4 2117 B12R1.25 CSCSc1cccc(c1F)Cl 62a_100011217346_100011218213 [0,1,0,0,0,0|2,1,0]=4 2118 B12R1.25 CSCSc1cccc(c1F)Cl 62a_100011218213_100011217346 [0,1,0,0,0,0|2,1,0]=4 2119 B12R1.25 CSCSc1cccc(c1F)F 62a_100000694657_100011218213 [0,1,0,0,0,0|2,1,0]=4 2120 B12R1.25 CSCSc1cccc(c1F)F 62a_100011218213_100000694657 [0,1,0,0,0,0|2,1,0]=4 2121 B12R1.25 CSCSc1cccc(c1F)N 62a_100011218213_100011935091 [0,1,0,0,0,0|2,1,0]=4 2122 B12R1.25 CSCSc1cccc(c1F)N 62a_100011935091_100011218213 [0,1,0,0,0,0|2,1,0]=4 2123 B12R1.25 CSCSc1cccc(c1F)O 62a_100009817021_100011218213 [0,1,0,0,0,0|2,1,0]=4 2124 B12R1.25 CSCSc1cccc(c1F)O 62a_100011218213_100009817021 [0,1,0,0,0,0|2,1,0]=4 2125 B12R1.25 CSCSc1cccc(c1N)Br 62a_100010146558_100011218213 [0,1,0,0,0,0|3,0,0]=4 2126 B12R1.25 CSCSc1cccc(c1N)Br 62a_100011218213_100010146558 [0,1,0,0,0,0|3,0,0]=4 2127 B12R1.25 CSCSc1cccc(c1N)C 62a_100011218213_100011834072 [0,1,0,0,0,0|3,0,0]=4 2128 B12R1.25 CSCSc1cccc(c1N)C 62a_100011834072_100011218213 [0,1,0,0,0,0|3,0,0]=4 2129 B12R1.25 CSCSc1cccc(c1N)Cl 62a_100010190421_100011218213 [0,1,0,0,0,0|3,0,0]=4 2130 B12R1.25 CSCSc1cccc(c1N)Cl 62a_100011218213_100010190421 [0,1,0,0,0,0|3,0,0]=4 2131 B12R1.25 CSCSc1cccc(c1N)F 62a_100000042321_100011218213 [0,1,0,0,0,0|3,0,0]=4 2132 B12R1.25 CSCSc1cccc(c1N)F 62a_100011218213_100000042321 [0,1,0,0,0,0|3,0,0]=4 2133 B12R1.25 CSCSc1cccc(c1N)N 62a_100015191791_100011218213 [0,1,0,0,0,0|3,0,0]=4 2134 B12R1.25 CSCSc1cccc(c1N)O 62a_100011218213_100011934926 [0,1,0,0,0,0|3,0,0]=4 2135 B12R1.25 CSCSc1cccc(c1O)Br 62a_100010084509_100011218213 [0,1,0,0,0,0|3,0,0]=4 2136 B12R1.25 CSCSc1cccc(c1O)Br 62a_100011218213_100010084509 [0,1,0,0,0,0|3,0,0]=4 2137 B12R1.25 CSCSc1cccc(c1O)C 62a_100009817157_100011218213 [0,1,0,0,0,0|3,0,0]=4 2138 B12R1.25 CSCSc1cccc(c1O)C 62a_100011218213_100009817157 [0,1,0,0,0,0|3,0,0]=4 2139 B12R1.25 CSCSc1cccc(c1O)Cl 62a_100010202889_100011218213 [0,1,0,0,0,0|3,0,0]=4 2140 B12R1.25 CSCSc1cccc(c1O)Cl 62a_100011218213_100010202889 [0,1,0,0,0,0|3,0,0]=4 2141 B12R1.25 CSCSc1cccc(c1O)F 62a_100009813666_100011218213 [0,1,0,0,0,0|3,0,0]=4 2142 B12R1.25 CSCSc1cccc(c1O)F 62a_100011218213_100009813666 [0,1,0,0,0,0|3,0,0]=4 2143 B12R1.25 CSCSc1cccc(c1O)N 62a_100011218213_100010084371 [0,1,0,0,0,0|3,0,0]=4 2144 B12R1.25 CSCSc1cccc(c1O)N 62a_100011934915_100011218213 [0,1,0,0,0,0|3,0,0]=4 2145 B12R1.25 CSCSc1cccc(c1O)O 62a_100011218213_100009815950 [0,1,0,0,0,0|3,0,0]=4 2146 B12R1.25 CSCSc1ccnc(c1Cl)C 62a_100000698670_100011218213 [0,1,0,0,0,0|3,0,0]=4 2147 B12R1.25 CSCSc1ccnc(c1Cl)C 62a_100011218213_100000698670 [0,1,0,0,0,0|3,0,0]=4 2148 B12R1.25 CSCSc1ccnc(c1Cl)Cl 62a_100010246212_100011218213 [0,1,0,0,0,0|3,0,0]=4 2149 B12R1.25 CSCSc1ccnc(c1Cl)Cl 62a_100011218213_100010246212 [0,1,0,0,0,0|3,0,0]=4 2150 B12R1.25 CSCSc1ccnc(c1Cl)F 62a_100010067886_100011218213 [0,1,0,0,0,0|3,0,0]=4 2151 B12R1.25 CSCSc1ccnc(c1Cl)F 62a_100011218213_100010067886 [0,1,0,0,0,0|3,0,0]=4 2152 B12R1.25 CSCSc1ccnc(c1Cl)N 62a_100010735111_100011218213 [0,1,0,0,0,0|3,0,0]=4 2153 B12R1.25 CSCSc1ccnc(c1Cl)N 62a_100011218213_100010735111 [0,1,0,0,0,0|3,0,0]=4 2154 B12R1.25 Cc1c(cccc1CCN[13CH3])Br 2230a_100161000114_200025704644 [0,1,0,0,0,0|1,0,0]=2 2155 B12R1.25 Cc1c(cccc1CCN[13CH3])Br 34a_100161000114_200025704644 [0,1,0,0,0,0|1,0,0]=2 2156 B12R1.25 Cc1cccc(c1Cl)CNCF 34a_100025705714_100015361967 [0,1,0,0,0,0|3,0,0]=4 2157 B12R1.25 Cc1cccc(c1Cl)COCF 34a_100000710031_100015361967 [0,1,0,0,0,0|3,0,0]=4 2158 B12R1.25 Cc1cccc(c1Cl)COCF 7a_100000710031_100015361967 [0,1,0,0,0,0|3,0,0]=4 2159 B12R1.25 Cc1cccc(c1Cl)NCC#N 7a_100000765562_100011215382 [0,1,0,0,0,0|3,0,0]=4 2160 B12R1.25 Cc1cccc(c1Cl)NCC=O 34a_100000765562_200009817547 [0,1,0,0,0,0|3,0,0]=4 2161 B12R1.25 Cc1cccc(c1Cl)NCC=O 7a_100000765562_200015260668 [0,1,0,0,0,0|3,0,0]=4 2162 B12R1.25 Cc1cccc(c1Cl)NCCF 34a_100000765562_100011217306 [0,1,0,0,0,0|3,0,0]=4 2163 B12R1.25 Cc1cccc(c1Cl)NCCF 7a_100000765562_100011217306 [0,1,0,0,0,0|3,0,0]=4 2164 B12R1.25 Cc1cccc(c1Cl)NCCO 34a_100000765562_100000211926 [0,1,0,0,0,0|3,0,0]=4 2165 B12R1.25 Cc1cccc(c1Cl)NCCO 7a_100000765562_100000211926 [0,1,0,0,0,0|3,0,0]=4 2166 B12R1.25 Cc1cccc(c1Cl)OCC#N 7a_100000695629_100011215382 [0,1,0,0,0,0|3,0,0]=4 2167 B12R1.25 Cc1cccc(c1Cl)OCC=O 34a_100000695629_200009817547 [0,1,0,0,0,0|3,0,0]=4 2168 B12R1.25 Cc1cccc(c1Cl)OCC=O 7a_100000695629_200015260668 [0,1,0,0,0,0|3,0,0]=4 2169 B12R1.25 Cc1cccc(c1Cl)OCCF 34a_100000695629_100011217306 [0,1,0,0,0,0|3,0,0]=4 2170 B12R1.25 Cc1cccc(c1Cl)OCCF 7a_100000695629_100011217306 [0,1,0,0,0,0|3,0,0]=4 2171 B12R1.25 Cc1cccc(c1Cl)OCCO 34a_100000695629_100000211926 [0,1,0,0,0,0|3,0,0]=4 2172 B12R1.25 Cc1cccc(c1Cl)OCCO 7a_100000695629_100000211926 [0,1,0,0,0,0|3,0,0]=4 2173 B12R1.25 Cc1cccc(c1Cl)SCC#N 62a_100011215382_200012352035 [0,1,0,0,0,0|3,0,0]=4 2174 B12R1.25 Cc1cccc(c1Cl)SCC#N 62a_200012352035_100011215382 [0,1,0,0,0,0|3,0,0]=4 2175 B12R1.25 Cc1cccc(c1Cl)SCC=O 62a_200012352035_200015260668 [0,1,0,0,0,0|3,0,0]=4 2176 B12R1.25 Cc1cccc(c1Cl)SCC=O 62a_200015260668_200012352035 [0,1,0,0,0,0|3,0,0]=4 2177 B12R1.25 Cc1cccc(c1Cl)SCCF 62a_100011217306_200012352035 [0,1,0,0,0,0|3,0,0]=4 2178 B12R1.25 Cc1cccc(c1Cl)SCCF 62a_200012352035_100011217306 [0,1,0,0,0,0|3,0,0]=4 2179 B12R1.25 Cc1cccc(c1Cl)SCCO 62a_100000211926_200012352035 [0,1,0,0,0,0|3,0,0]=4 2180 B12R1.25 Cc1cccc(c1Cl)SCCO 62a_200012352035_100000211926 [0,1,0,0,0,0|3,0,0]=4 2181 B12R1.25 FCCNc1cccc(c1Cl)Br 34a_100000687075_100011217306 [0,1,0,0,0,0|3,0,0]=4 2182 B12R1.25 FCCNc1cccc(c1Cl)Cl 34a_100000185733_100011217306 [0,1,0,0,0,0|3,0,0]=4 2183 B12R1.25 FCCNc1cccc(c1Cl)F 34a_100000692321_100011217306 [0,1,0,0,0,0|3,0,0]=4 2184 B12R1.25 FCCOc1cccc(c1Cl)Br 34a_100010187913_100011217306 [0,1,0,0,0,0|3,0,0]=4 2185 B12R1.25 FCCOc1cccc(c1Cl)Br 7a_100010187913_100011217306 [0,1,0,0,0,0|3,0,0]=4 2186 B12R1.25 FCCOc1cccc(c1Cl)Cl 34a_100000211076_100011217306 [0,1,0,0,0,0|3,0,0]=4 2187 B12R1.25 FCCOc1cccc(c1Cl)Cl 7a_100000211076_100011217306 [0,1,0,0,0,0|3,0,0]=4 2188 B12R1.25 FCCOc1cccc(c1Cl)F 34a_100000087408_100011217306 [0,1,0,0,0,0|3,0,0]=4 2189 B12R1.25 FCCOc1cccc(c1Cl)F 7a_100000087408_100011217306 [0,1,0,0,0,0|3,0,0]=4 2190 B12R1.25 FCCOc1cccc(c1Cl)I 34a_100000049636_100011217306 [0,1,0,0,0,0|3,0,0]=4 2191 B12R1.25 FCCOc1cccc(c1Cl)I 7a_100000049636_100011217306 [0,1,0,0,0,0|3,0,0]=4 2192 B12R1.25 FCCSc1cccc(c1Cl)Br 62a_100010142854_100011217306 [0,1,0,0,0,0|3,0,0]=4 2193 B12R1.25 FCCSc1cccc(c1Cl)Br 62a_100011217306_100010142854 [0,1,0,0,0,0|3,0,0]=4 2194 B12R1.25 FCCSc1cccc(c1Cl)Cl 62a_100011215384_100011217306 [0,1,0,0,0,0|3,0,0]=4 2195 B12R1.25 FCCSc1cccc(c1Cl)Cl 62a_100011217306_100011215384 [0,1,0,0,0,0|3,0,0]=4 2196 B12R1.25 FCCSc1cccc(c1Cl)F 62a_100011217306_200010234923 [0,1,0,0,0,0|3,0,0]=4 2197 B12R1.25 FCCSc1cccc(c1Cl)F 62a_200010234923_100011217306 [0,1,0,0,0,0|3,0,0]=4 2198 B12R1.25 FCNCc1cccc(c1Cl)Cl 34a_100011211633_100015361967 [0,1,0,0,0,0|3,0,0]=4 2199 B12R1.25 FCNCc1cccc(c1Cl)F 34a_100012001614_100015361967 [0,1,0,0,0,0|3,0,0]=4 2200 B12R1.25 FCOCc1cccc(c1Cl)Br 34a_100012351182_100015361967 [0,1,0,0,0,0|3,0,0]=4 2201 B12R1.25 FCOCc1cccc(c1Cl)Br 7a_100012351182_100015361967 [0,1,0,0,0,0|3,0,0]=4 2202 B12R1.25 FCOCc1cccc(c1Cl)Cl 34a_100000720469_100015361967 [0,1,0,0,0,0|3,0,0]=4 2203 B12R1.25 FCOCc1cccc(c1Cl)Cl 7a_100000720469_100015361967 [0,1,0,0,0,0|3,0,0]=4 2204 B12R1.25 FCOCc1cccc(c1Cl)F 34a_100000696319_100015361967 [0,1,0,0,0,0|3,0,0]=4 2205 B12R1.25 FCOCc1cccc(c1Cl)F 7a_100000696319_100015361967 [0,1,0,0,0,0|3,0,0]=4 2206 B12R1.25 FCSCc1cccc(c1Cl)Br 62a_100012349491_100015361967 [0,1,0,0,0,0|3,0,0]=4 2207 B12R1.25 FCSCc1cccc(c1Cl)Br 62a_100015361967_100012349491 [0,1,0,0,0,0|3,0,0]=4 2208 B12R1.25 FCSCc1cccc(c1Cl)Cl 62a_100000720918_100015361967 [0,1,0,0,0,0|3,0,0]=4 2209 B12R1.25 FCSCc1cccc(c1Cl)Cl 62a_100015361967_100000723366 [0,1,0,0,0,0|3,0,0]=4 2210 B12R1.25 FCSCc1cccc(c1Cl)F 62a_100000696688_100015361967 [0,1,0,0,0,0|3,0,0]=4 2211 B12R1.25 FCSCc1cccc(c1Cl)F 62a_100015361967_100000696688 [0,1,0,0,0,0|3,0,0]=4 2212 B12R1.25 N#CCNc1cccc(c1Cl)O 7a_100012002038_100011215382 [0,1,0,0,0,0|3,0,0]=4 2213 B12R1.25 N#CCOc1cccc(c1Cl)Br 7a_100010187913_100011215382 [0,1,0,0,0,0|3,0,0]=4 2214 B12R1.25 N#CCOc1cccc(c1Cl)Cl 7a_100000211076_100011215382 [0,1,0,0,0,0|3,0,0]=4 2215 B12R1.25 N#CCOc1cccc(c1Cl)F 7a_100000087408_100011215382 [0,1,0,0,0,0|3,0,0]=4 2216 B12R1.25 N#CCOc1cccc(c1Cl)I 7a_100000049636_100011215382 [0,1,0,0,0,0|3,0,0]=4 2217 B12R1.25 N#CCOc1cccc(c1Cl)N 7a_100012002038_100011215382 [0,1,0,0,0,0|3,0,0]=4 2218 B12R1.25 N#CCSc1cccc(c1Cl)Br 62a_100010142854_100011215382 [0,1,0,0,0,0|3,0,0]=4 2219 B12R1.25 N#CCSc1cccc(c1Cl)Br 62a_100011215382_100010142854 [0,1,0,0,0,0|3,0,0]=4 2220 B12R1.25 N#CCSc1cccc(c1Cl)Cl 62a_100011215382_100011215384 [0,1,0,0,0,0|3,0,0]=4 2221 B12R1.25 N#CCSc1cccc(c1Cl)Cl 62a_100011215384_100011215382 [0,1,0,0,0,0|3,0,0]=4 2222 B12R1.25 N#CCSc1cccc(c1Cl)F 62a_100011215382_200010234923 [0,1,0,0,0,0|3,0,0]=4 2223 B12R1.25 N#CCSc1cccc(c1Cl)F 62a_200010234923_100011215382 [0,1,0,0,0,0|3,0,0]=4 2224 B12R1.25 N#CCSc1cccc(c1Cl)O 62a_100011215382_100000049636 [0,1,0,0,0,0|3,0,0]=4 2225 B12R1.25 Nc1cccc(c1Cl)OCC=O 34a_100012002038_200009817547 [0,1,0,0,0,0|3,0,0]=4 2226 B12R1.25 Nc1cccc(c1Cl)OCC=O 7a_100012002038_200015260668 [0,1,0,0,0,0|3,0,0]=4 2227 B12R1.25 Nc1cccc(c1Cl)OCCF 34a_100012002038_100011217306 [0,1,0,0,0,0|3,0,0]=4 2228 B12R1.25 Nc1cccc(c1Cl)OCCF 7a_100012002038_100011217306 [0,1,0,0,0,0|3,0,0]=4 2229 B12R1.25 Nc1cccc(c1Cl)OCCO 34a_100012002038_100000211926 [0,1,0,0,0,0|3,0,0]=4 2230 B12R1.25 Nc1cccc(c1Cl)OCCO 7a_100012002038_100000211926 [0,1,0,0,0,0|3,0,0]=4 2231 B12R1.25 O=CCNc1cccc(c1Cl)Br 34a_100000687075_200009817547 [0,1,0,0,0,0|3,0,0]=4 2232 B12R1.25 O=CCNc1cccc(c1Cl)Cl 34a_100000185733_200009817547 [0,1,0,0,0,0|3,0,0]=4 2233 B12R1.25 O=CCNc1cccc(c1Cl)F 34a_100000692321_200009817547 [0,1,0,0,0,0|3,0,0]=4 2234 B12R1.25 O=CCNc1cccc(c1Cl)O 34a_100012002038_200009817547 [0,1,0,0,0,0|3,0,0]=4 2235 B12R1.25 O=CCNc1cccc(c1Cl)O 7a_100012002038_200015260668 [0,1,0,0,0,0|3,0,0]=4 2236 B12R1.25 O=CCOc1cccc(c1Cl)Br 34a_100010187913_200009817547 [0,1,0,0,0,0|3,0,0]=4 2237 B12R1.25 O=CCOc1cccc(c1Cl)Br 7a_100010187913_200015260668 [0,1,0,0,0,0|3,0,0]=4 2238 B12R1.25 O=CCOc1cccc(c1Cl)Cl 34a_100000211076_200009817547 [0,1,0,0,0,0|3,0,0]=4 2239 B12R1.25 O=CCOc1cccc(c1Cl)Cl 7a_100000211076_200015260668 [0,1,0,0,0,0|3,0,0]=4 2240 B12R1.25 O=CCOc1cccc(c1Cl)F 34a_100000087408_200009817547 [0,1,0,0,0,0|3,0,0]=4 2241 B12R1.25 O=CCOc1cccc(c1Cl)F 7a_100000087408_200015260668 [0,1,0,0,0,0|3,0,0]=4 2242 B12R1.25 O=CCOc1cccc(c1Cl)I 34a_100000049636_200009817547 [0,1,0,0,0,0|3,0,0]=4 2243 B12R1.25 O=CCOc1cccc(c1Cl)I 7a_100000049636_200015260668 [0,1,0,0,0,0|3,0,0]=4 2244 B12R1.25 O=CCSc1cccc(c1Cl)Br 62a_100010142854_200015260668 [0,1,0,0,0,0|3,0,0]=4 2245 B12R1.25 O=CCSc1cccc(c1Cl)Br 62a_200015260668_100010142854 [0,1,0,0,0,0|3,0,0]=4 2246 B12R1.25 O=CCSc1cccc(c1Cl)Cl 62a_100011215384_200015260668 [0,1,0,0,0,0|3,0,0]=4 2247 B12R1.25 O=CCSc1cccc(c1Cl)Cl 62a_200015260668_100011215384 [0,1,0,0,0,0|3,0,0]=4 2248 B12R1.25 O=CCSc1cccc(c1Cl)F 62a_200010234923_200015260668 [0,1,0,0,0,0|3,0,0]=4 2249 B12R1.25 O=CCSc1cccc(c1Cl)F 62a_200015260668_200010234923 [0,1,0,0,0,0|3,0,0]=4 2250 B12R1.25 O=CCSc1cccc(c1Cl)O 62a_200015260668_100000049636 [0,1,0,0,0,0|3,0,0]=4 2251 B12R1.25 OCCNc1cccc(c1Cl)Br 34a_100000687075_100000211926 [0,1,0,0,0,0|3,0,0]=4 2252 B12R1.25 OCCNc1cccc(c1Cl)Cl 34a_100000185733_100000211926 [0,1,0,0,0,0|3,0,0]=4 2253 B12R1.25 OCCNc1cccc(c1Cl)F 34a_100000692321_100000211926 [0,1,0,0,0,0|3,0,0]=4 2254 B12R1.25 OCCNc1cccc(c1Cl)O 34a_100012002038_100000211926 [0,1,0,0,0,0|3,0,0]=4 2255 B12R1.25 OCCNc1cccc(c1Cl)O 7a_100012002038_100000211926 [0,1,0,0,0,0|3,0,0]=4 2256 B12R1.25 OCCOc1cccc(c1Cl)Br 34a_100010187913_100000211926 [0,1,0,0,0,0|3,0,0]=4 2257 B12R1.25 OCCOc1cccc(c1Cl)Br 7a_100010187913_100000211926 [0,1,0,0,0,0|3,0,0]=4 2258 B12R1.25 OCCOc1cccc(c1Cl)Cl 34a_100000211076_100000211926 [0,1,0,0,0,0|3,0,0]=4 2259 B12R1.25 OCCOc1cccc(c1Cl)Cl 7a_100000211076_100000211926 [0,1,0,0,0,0|3,0,0]=4 2260 B12R1.25 OCCOc1cccc(c1Cl)F 34a_100000087408_100000211926 [0,1,0,0,0,0|3,0,0]=4 2261 B12R1.25 OCCOc1cccc(c1Cl)F 7a_100000087408_100000211926 [0,1,0,0,0,0|3,0,0]=4 2262 B12R1.25 OCCOc1cccc(c1Cl)I 34a_100000049636_100000211926 [0,1,0,0,0,0|3,0,0]=4 2263 B12R1.25 OCCOc1cccc(c1Cl)I 7a_100000049636_100000211926 [0,1,0,0,0,0|3,0,0]=4 2264 B12R1.25 OCCSc1cccc(c1Cl)Br 62a_100000211926_100010142854 [0,1,0,0,0,0|3,0,0]=4 2265 B12R1.25 OCCSc1cccc(c1Cl)Br 62a_100010142854_100000211926 [0,1,0,0,0,0|3,0,0]=4 2266 B12R1.25 OCCSc1cccc(c1Cl)Cl 62a_100000211926_100011215384 [0,1,0,0,0,0|3,0,0]=4 2267 B12R1.25 OCCSc1cccc(c1Cl)Cl 62a_100011215384_100000211926 [0,1,0,0,0,0|3,0,0]=4 2268 B12R1.25 OCCSc1cccc(c1Cl)F 62a_100000211926_200010234923 [0,1,0,0,0,0|3,0,0]=4 2269 B12R1.25 OCCSc1cccc(c1Cl)F 62a_200010234923_100000211926 [0,1,0,0,0,0|3,0,0]=4 2270 B12R1.25 OCCSc1cccc(c1Cl)O 62a_100000211926_100000049636 [0,1,0,0,0,0|3,0,0]=4 2271 B12R1.25 Oc1cccc(c1Cl)NCCF 34a_100012002038_100011217306 [0,1,0,0,0,0|3,0,0]=4 2272 B12R1.25 Oc1cccc(c1Cl)NCCF 7a_100012002038_100011217306 [0,1,0,0,0,0|3,0,0]=4 2273 B12R1.25 Oc1cccc(c1Cl)SCCF 62a_100011217306_100000049636 [0,1,0,0,0,0|3,0,0]=4 2274 B12R1.25 [13CH3]NCCc1cccc(c1Cl)Cl 2230a_100000741019_200025704644 [0,1,0,0,0,0|0,0,0]=1 2275 B12R1.25 [13CH3]NCCc1cccc(c1Cl)Cl 34a_100000741019_200025704644 [0,1,0,0,0,0|0,0,0]=1 2276 B12R1.25 [13CH3]OCCc1cccc(c1Cl)Cl 34a_100011754357_200025704644 [0,1,0,0,0,0|1,0,0]=2 2277 B12R1.25 [13CH3]OCCc1cccc(c1Cl)Cl 7a_100011754357_200025704644 [0,1,0,0,0,0|1,0,0]=2 2278 B12R1.25 [13CH3]OCCc1cccc(c1F)Cl 34a_100011830271_200025704644 [0,1,0,0,0,0|1,1,0]=3 2279 B12R1.25 [13CH3]OCCc1cccc(c1F)Cl 7a_100011830271_200025704644 [0,1,0,0,0,0|1,1,0]=3 2280 B12R1.25 [13CH3]OCCc1cccc(c1F)F 34a_100000698707_200025704644 [0,1,0,0,0,0|1,1,0]=3 2281 B12R1.25 [13CH3]OCCc1cccc(c1F)F 7a_100000698707_200025704644 [0,1,0,0,0,0|1,1,0]=3 2282 B12R1.25 [13CH3]SCCc1cccc(c1Cl)Cl 62a_100000723033_200025704644 [0,1,0,0,0,0|1,0,0]=2 2283 B12R1.25 [13CH3]SCCc1cccc(c1Cl)Cl 62a_200025704644_100000723033 [0,1,0,0,0,0|1,0,0]=2 2284 B12R1.69 C#CCNc1ccc(cc1Cl)Br 34a_100000211467_100000184674 [0,1,0,0,0,0|2,0,1]=4 2285 B12R1.69 C#CCNc1ccc(cc1Cl)C 34a_100000210522_100000184674 [0,1,0,0,0,0|2,0,1]=4 2286 B12R1.69 C#CCNc1ccc(cc1Cl)Cl 34a_100000185861_100000184674 [0,1,0,0,0,0|2,0,1]=4 2287 B12R1.69 C#CCNc1ccc(cc1Cl)F 34a_100000212003_100000184674 [0,1,0,0,0,0|2,0,1]=4 2288 B12R1.69 C#CCNc1ccc(cc1Cl)I 34a_100011218065_100000184674 [0,1,0,0,0,0|2,0,1]=4 2289 B12R1.69 C#CCNc1ccc(cc1Cl)O 34a_100011215599_100000184674 [0,1,0,0,0,0|2,0,1]=4 2290 B12R1.69 C#CCOc1ccc(cc1Cl)Br 34a_100000186472_100000184674 [0,1,0,0,0,0|2,0,1]=4 2291 B12R1.69 C#CCOc1ccc(cc1Cl)Br 7a_100000186472_100000038162 [0,1,0,0,0,0|2,0,1]=4 2292 B12R1.69 C#CCOc1ccc(cc1Cl)C 34a_100000749699_100000184674 [0,1,0,0,0,0|2,0,1]=4 2293 B12R1.69 C#CCOc1ccc(cc1Cl)C 7a_100000749699_100000038162 [0,1,0,0,0,0|2,0,1]=4 2294 B12R1.69 C#CCOc1ccc(cc1Cl)Cl 34a_100015191787_100000184674 [0,1,0,0,0,0|2,0,1]=4 2295 B12R1.69 C#CCOc1ccc(cc1Cl)Cl 7a_100015191787_100000038162 [0,1,0,0,0,0|2,0,1]=4 2296 B12R1.69 C#CCOc1ccc(cc1Cl)F 34a_100000212004_100000184674 [0,1,0,0,0,0|2,0,1]=4 2297 B12R1.69 C#CCOc1ccc(cc1Cl)F 7a_100000212004_100000038162 [0,1,0,0,0,0|2,0,1]=4 2298 B12R1.69 C#CCOc1ccc(cc1Cl)I 34a_100012360047_100000184674 [0,1,0,0,0,0|2,0,1]=4 2299 B12R1.69 C#CCOc1ccc(cc1Cl)I 7a_100012360047_100000038162 [0,1,0,0,0,0|2,0,1]=4 2300 B12R1.69 C#CCOc1ccc(cc1Cl)N 34a_100000744943_100000184674 [0,1,0,0,0,0|2,0,1]=4 2301 B12R1.69 C#CCOc1ccc(cc1Cl)N 7a_100000744943_100000038162 [0,1,0,0,0,0|2,0,1]=4 2302 B12R1.69 C#CCSc1ccc(cc1Cl)Br 62a_100000038162_100011216062 [0,1,0,0,0,0|2,0,1]=4 2303 B12R1.69 C#CCSc1ccc(cc1Cl)C 62a_100000038162_100011263221 [0,1,0,0,0,0|2,0,1]=4 2304 B12R1.69 C#CCSc1ccc(cc1Cl)Cl 62a_100000038162_100000699841 [0,1,0,0,0,0|2,0,1]=4 2305 B12R1.69 C#CCSc1ccc(cc1Cl)F 62a_100000038162_100000733362 [0,1,0,0,0,0|2,0,1]=4 2306 B12R1.69 C#CCSc1ccc(cc1Cl)N 62a_100000038162_100000761885 [0,1,0,0,0,0|2,0,1]=4 2307 B12R1.69 C#CCSc1ccc(cc1Cl)O 62a_100000038162_100000047559 [0,1,0,0,0,0|2,0,1]=4 2308 B12R1.69 C=CCNc1ccc(cc1Cl)Br 34a_100000211467_100015514636 [0,1,0,0,0,0|2,0,1]=4 2309 B12R1.69 C=CCNc1ccc(cc1Cl)C 34a_100000210522_100015514636 [0,1,0,0,0,0|2,0,1]=4 2310 B12R1.69 C=CCNc1ccc(cc1Cl)Cl 34a_100000185861_100015514636 [0,1,0,0,0,0|2,0,1]=4 2311 B12R1.69 C=CCNc1ccc(cc1Cl)F 34a_100000212003_100015514636 [0,1,0,0,0,0|2,0,1]=4 2312 B12R1.69 C=CCNc1ccc(cc1Cl)I 34a_100011218065_100015514636 [0,1,0,0,0,0|2,0,1]=4 2313 B12R1.69 C=CCNc1ccc(cc1Cl)O 34a_100011215599_100015514636 [0,1,0,0,0,0|2,0,1]=4 2314 B12R1.69 C=CCOc1ccc(cc1Cl)Br 34a_100000186472_100015514636 [0,1,0,0,0,0|2,0,1]=4 2315 B12R1.69 C=CCOc1ccc(cc1Cl)Br 7a_100000186472_100015514636 [0,1,0,0,0,0|2,0,1]=4 2316 B12R1.69 C=CCOc1ccc(cc1Cl)C 34a_100000749699_100015514636 [0,1,0,0,0,0|2,0,1]=4 2317 B12R1.69 C=CCOc1ccc(cc1Cl)C 7a_100000749699_100015514636 [0,1,0,0,0,0|2,0,1]=4 2318 B12R1.69 C=CCOc1ccc(cc1Cl)Cl 34a_100015191787_100015514636 [0,1,0,0,0,0|2,0,1]=4 2319 B12R1.69 C=CCOc1ccc(cc1Cl)Cl 7a_100015191787_100015514636 [0,1,0,0,0,0|2,0,1]=4 2320 B12R1.69 C=CCOc1ccc(cc1Cl)F 34a_100000212004_100015514636 [0,1,0,0,0,0|2,0,1]=4 2321 B12R1.69 C=CCOc1ccc(cc1Cl)F 7a_100000212004_100015514636 [0,1,0,0,0,0|2,0,1]=4 2322 B12R1.69 C=CCOc1ccc(cc1Cl)I 34a_100012360047_100015514636 [0,1,0,0,0,0|2,0,1]=4 2323 B12R1.69 C=CCOc1ccc(cc1Cl)I 7a_100012360047_100015514636 [0,1,0,0,0,0|2,0,1]=4 2324 B12R1.69 C=CCOc1ccc(cc1Cl)N 34a_100000744943_100015514636 [0,1,0,0,0,0|2,0,1]=4 2325 B12R1.69 C=CCOc1ccc(cc1Cl)N 7a_100000744943_100015514636 [0,1,0,0,0,0|2,0,1]=4 2326 B12R1.69 C=CCSc1ccc(cc1Cl)Br 62a_100000210623_100011216062 [0,1,0,0,0,0|2,0,1]=4 2327 B12R1.69 C=CCSc1ccc(cc1Cl)Br 62a_100011216062_100000210623 [0,1,0,0,0,0|2,0,1]=4 2328 B12R1.69 C=CCSc1ccc(cc1Cl)C 62a_100000210623_100011263221 [0,1,0,0,0,0|2,0,1]=4 2329 B12R1.69 C=CCSc1ccc(cc1Cl)C 62a_100011263221_100000210623 [0,1,0,0,0,0|2,0,1]=4 2330 B12R1.69 C=CCSc1ccc(cc1Cl)Cl 62a_100000210623_100000699841 [0,1,0,0,0,0|2,0,1]=4 2331 B12R1.69 C=CCSc1ccc(cc1Cl)Cl 62a_100000699841_100000210623 [0,1,0,0,0,0|2,0,1]=4 2332 B12R1.69 C=CCSc1ccc(cc1Cl)F 62a_100000210623_100000733362 [0,1,0,0,0,0|2,0,1]=4 2333 B12R1.69 C=CCSc1ccc(cc1Cl)F 62a_100000733362_100000210623 [0,1,0,0,0,0|2,0,1]=4 2334 B12R1.69 C=CCSc1ccc(cc1Cl)N 62a_100000210623_100000761885 [0,1,0,0,0,0|2,0,1]=4 2335 B12R1.69 C=CCSc1ccc(cc1Cl)N 62a_100000761885_100000210623 [0,1,0,0,0,0|2,0,1]=4 2336 B12R1.69 C=CCSc1ccc(cc1Cl)O 62a_100000047559_100000210623 [0,1,0,0,0,0|2,0,1]=4 2337 B12R1.69 C=CCSc1ccc(cc1Cl)O 62a_100000210623_100000047559 [0,1,0,0,0,0|2,0,1]=4 2338 B12R1.69 CC=NNc1ccc(cc1Cl)Br 4a_100000751498_200000210099 [0,1,0,0,0,0|3,0,0]=4 2339 B12R1.69 CC=NNc1ccc(cc1Cl)C 4a_100000006747_200000210099 [0,1,0,0,0,0|3,0,0]=4 2340 B12R1.69 CC=NNc1ccc(cc1Cl)Cl 4a_100000717958_200000210099 [0,1,0,0,0,0|3,0,0]=4 2341 B12R1.69 CC=NNc1ccc(cc1Cl)F 4a_100016987656_200000210099 [0,1,0,0,0,0|3,0,0]=4 2342 B12R1.69 CCCCc1c[nH]c(=O)cc1F 271570a_100020621405_100015631685 [0,1,0,0,0,0|2,1,0]=4 2343 B12R1.69 CCCCc1cc[n+](cc1C)[O-] 271570a_100020621405_100000074940 [0,1,0,0,0,0|3,0,0]=4 2344 B12R1.69 CCCCc1ccc(=O)[nH]c1N 271570a_100020621405_100009884077 [0,1,0,0,0,0|3,0,0]=4 2345 B12R1.69 CCCCc1ccc(c[n+]1[O-])C 271570a_100020621405_100009819918 [0,1,0,0,0,0|3,0,0]=4 2346 B12R1.69 CCCCc1ccc(c[n+]1[O-])F 271570a_100020621405_100009817261 [0,1,0,0,0,0|3,0,0]=4 2347 B12R1.69 CCCCc1ccc(cc1Br)Br 271570a_100020621405_100011484698 [0,1,0,0,0,0|1,1,0]=3 2348 B12R1.69 CCCCc1ccc(cc1Br)C 271570a_100020621405_100009813563 [0,1,0,0,0,0|1,1,0]=3 2349 B12R1.69 CCCCc1ccc(cc1Br)Cl 271570a_100020621405_100011219703 [0,1,0,0,0,0|1,1,0]=3 2350 B12R1.69 CCCCc1ccc(cc1Br)F 271570a_100020621405_100011217111 [0,1,0,0,0,0|1,1,0]=3 2351 B12R1.69 CCCCc1ccc(cc1Br)N 271570a_100020621405_100000750458 [0,1,0,0,0,0|1,1,0]=3 2352 B12R1.69 CCCCc1ccc(cc1Br)O 271570a_100020621405_100000701344 [0,1,0,0,0,0|1,1,0]=3 2353 B12R1.69 CCCCc1ccc(cc1C)Br 271570a_100020621405_100000701812 [0,1,0,0,0,0|2,0,0]=3 2354 B12R1.69 CCCCc1ccc(cc1C)C 271570a_100020621405_100011217332 [0,1,0,0,0,0|2,0,0]=3 2355 B12R1.69 CCCCc1ccc(cc1C)Cl 271570a_100020621405_100011219607 [0,1,0,0,0,0|2,0,0]=3 2356 B12R1.69 CCCCc1ccc(cc1C)F 271570a_100020621405_100011205405 [0,1,0,0,0,0|2,0,0]=3 2357 B12R1.69 CCCCc1ccc(cc1C)N 271570a_100020621405_100000210723 [0,1,0,0,0,0|2,0,0]=3 2358 B12R1.69 CCCCc1ccc(cc1C)O 271570a_100020621405_100000729255 [0,1,0,0,0,0|2,0,0]=3 2359 B12R1.69 CCCCc1ccc(cc1Cl)Br 271570a_100020621405_100011216062 [0,1,0,0,0,0|1,0,0]=2 2360 B12R1.69 CCCCc1ccc(cc1Cl)C 271570a_100020621405_100011263221 [0,1,0,0,0,0|1,0,0]=2 2361 B12R1.69 CCCCc1ccc(cc1Cl)Cl 271570a_100020621405_100000699841 [0,1,0,0,0,0|1,0,0]=2 2362 B12R1.69 CCCCc1ccc(cc1Cl)F 271570a_100020621405_100000733362 [0,1,0,0,0,0|1,0,0]=2 2363 B12R1.69 CCCCc1ccc(cc1Cl)N 271570a_100020621405_100000761885 [0,1,0,0,0,0|1,0,0]=2 2364 B12R1.69 CCCCc1ccc(cc1Cl)O 271570a_100020621405_100000047559 [0,1,0,0,0,0|1,0,0]=2 2365 B12R1.69 CCCCc1ccc(cc1F)Br 271570a_100020621405_100009814013 [0,1,0,0,0,0|1,1,0]=3 2366 B12R1.69 CCCCc1ccc(cc1F)C 271570a_100020621405_100011216119 [0,1,0,0,0,0|1,1,0]=3 2367 B12R1.69 CCCCc1ccc(cc1F)Cl 271570a_100020621405_100011216042 [0,1,0,0,0,0|1,1,0]=3 2368 B12R1.69 CCCCc1ccc(cc1F)F 271570a_100020621405_100000750030 [0,1,0,0,0,0|1,1,0]=3 2369 B12R1.69 CCCCc1ccc(cc1F)N 271570a_100020621405_100011356925 [0,1,0,0,0,0|1,1,0]=3 2370 B12R1.69 CCCCc1ccc(cc1F)O 271570a_100020621405_100000755031 [0,1,0,0,0,0|1,1,0]=3 2371 B12R1.69 CCCCc1ccc(cc1N)Br 271570a_100020621405_100000743836 [0,1,0,0,0,0|2,0,0]=3 2372 B12R1.69 CCCCc1ccc(cc1N)C 271570a_100020621405_100011216686 [0,1,0,0,0,0|2,0,0]=3 2373 B12R1.69 CCCCc1ccc(cc1N)Cl 271570a_100020621405_100000761886 [0,1,0,0,0,0|2,0,0]=3 2374 B12R1.69 CCCCc1ccc(cc1N)F 271570a_100020621405_100011218093 [0,1,0,0,0,0|2,0,0]=3 2375 B12R1.69 CCCCc1ccc(cc1N)N 271570a_100020621405_200012175722 [0,1,0,0,0,0|2,0,0]=3 2376 B12R1.69 CCCCc1ccc(cc1N)O 271570a_100020621405_100011999798 [0,1,0,0,0,0|2,0,0]=3 2377 B12R1.69 CCCCc1ccc(cc1O)Br 271570a_100020621405_100012344904 [0,1,0,0,0,0|2,0,0]=3 2378 B12R1.69 CCCCc1ccc(cc1O)C 271570a_100020621405_100012002257 [0,1,0,0,0,0|2,0,0]=3 2379 B12R1.69 CCCCc1ccc(cc1O)Cl 271570a_100020621405_100000050036 [0,1,0,0,0,0|2,0,0]=3 2380 B12R1.69 CCCCc1ccc(cc1O)F 271570a_100020621405_100000690578 [0,1,0,0,0,0|2,0,0]=3 2381 B12R1.69 CCCCc1ccc(cc1O)O 271570a_100020621405_100009813921 [0,1,0,0,0,0|2,0,0]=3 2382 B12R1.69 CCCCc1ccc(nc1Br)N 271570a_100020621405_100010734177 [0,1,0,0,0,0|2,1,0]=4 2383 B12R1.69 CCCCc1ccc(nc1C)C 271570a_100020621405_100009813853 [0,1,0,0,0,0|3,0,0]=4 2384 B12R1.69 CCCCc1ccc(nc1C)Cl 271570a_100020621405_100000062408 [0,1,0,0,0,0|3,0,0]=4 2385 B12R1.69 CCCCc1ccc(nc1C)F 271570a_100020621405_100000688911 [0,1,0,0,0,0|3,0,0]=4 2386 B12R1.69 CCCCc1ccc(nc1C)N 271570a_100020621405_100000013003 [0,1,0,0,0,0|3,0,0]=4 2387 B12R1.69 CCCCc1ccc(nc1C)O 271570a_100020621405_100000691680 [0,1,0,0,0,0|3,0,0]=4 2388 B12R1.69 CCCCc1ccc(nc1Cl)Br 271570a_100020621405_100010246183 [0,1,0,0,0,0|2,0,0]=3 2389 B12R1.69 CCCCc1ccc(nc1Cl)N 271570a_100020621405_100010270343 [0,1,0,0,0,0|2,0,0]=3 2390 B12R1.69 CCCCc1ccc(nc1F)C 271570a_100020621405_100010006597 [0,1,0,0,0,0|2,1,0]=4 2391 B12R1.69 CCCCc1ccc(nc1F)Cl 271570a_100020621405_100010168078 [0,1,0,0,0,0|2,1,0]=4 2392 B12R1.69 CCCCc1ccc(nc1F)F 271570a_100020621405_100000070099 [0,1,0,0,0,0|2,1,0]=4 2393 B12R1.69 CCCCc1ccc(nc1F)N 271570a_100020621405_100009882772 [0,1,0,0,0,0|2,1,0]=4 2394 B12R1.69 CCCCc1ccc(nc1F)O 271570a_100020621405_100009879308 [0,1,0,0,0,0|2,1,0]=4 2395 B12R1.69 CCCCc1ccc(nc1N)C 271570a_100020621405_100009816662 [0,1,0,0,0,0|3,0,0]=4 2396 B12R1.69 CCCCc1ccc(nc1N)Cl 271570a_100020621405_100010171640 [0,1,0,0,0,0|3,0,0]=4 2397 B12R1.69 CCCCc1ccc(nc1N)F 271570a_100020621405_100009854977 [0,1,0,0,0,0|3,0,0]=4 2398 B12R1.69 CCCCc1ccc(nc1N)N 271570a_100020621405_100011356871 [0,1,0,0,0,0|3,0,0]=4 2399 B12R1.69 CCCCc1ccc(nc1O)C 271570a_100020621405_100009817604 [0,1,0,0,0,0|3,0,0]=4 2400 B12R1.69 CCCCc1cnc(cc1Br)F 271570a_100020621405_100015451857 [0,1,0,0,0,0|2,1,0]=4 2401 B12R1.69 CCCCc1cnc(cc1Br)N 271570a_100020621405_100010074611 [0,1,0,0,0,0|2,1,0]=4 2402 B12R1.69 CCCCc1cnc(cc1C)Br 271570a_100020621405_100009816104 [0,1,0,0,0,0|3,0,0]=4 2403 B12R1.69 CCCCc1cnc(cc1C)C 271570a_100020621405_100009819613 [0,1,0,0,0,0|3,0,0]=4 2404 B12R1.69 CCCCc1cnc(cc1C)Cl 271570a_100020621405_100010172789 [0,1,0,0,0,0|3,0,0]=4 2405 B12R1.69 CCCCc1cnc(cc1C)F 271570a_100020621405_100009820716 [0,1,0,0,0,0|3,0,0]=4 2406 B12R1.69 CCCCc1cnc(cc1C)N 271570a_100020621405_100000050067 [0,1,0,0,0,0|3,0,0]=4 2407 B12R1.69 CCCCc1cnc(cc1C)O 271570a_100020621405_100010114363 [0,1,0,0,0,0|3,0,0]=4 2408 B12R1.69 CCCCc1cnc(cc1Cl)Br 271570a_100020621405_100010381092 [0,1,0,0,0,0|2,0,0]=3 2409 B12R1.69 CCCCc1cnc(cc1Cl)Cl 271570a_100020621405_100010200927 [0,1,0,0,0,0|2,0,0]=3 2410 B12R1.69 CCCCc1cnc(cc1Cl)N 271570a_100020621405_100000694920 [0,1,0,0,0,0|2,0,0]=3 2411 B12R1.69 CCCCc1cnc(cc1F)Cl 271570a_100020621405_100010128100 [0,1,0,0,0,0|2,1,0]=4 2412 B12R1.69 CCCCc1cnc(cc1F)N 271570a_100020621405_100009844730 [0,1,0,0,0,0|2,1,0]=4 2413 B12R1.69 CCCCc1cnc(cc1N)C 271570a_100020621405_100009817891 [0,1,0,0,0,0|3,0,0]=4 2414 B12R1.69 CCCCc1cnc(cc1N)N 271570a_100020621405_200009857908 [0,1,0,0,0,0|3,0,0]=4 2415 B12R1.69 CCCCc1cnc(cc1O)C 271570a_100020621405_100011016184 [0,1,0,0,0,0|3,0,0]=4 2416 B12R1.69 CCCCc1ncc(cc1Br)Cl 271570a_100020621405_100012154958 [0,1,0,0,0,0|2,1,0]=4 2417 B12R1.69 CCCCc1ncc(cc1C)Br 271570a_100020621405_100012353652 [0,1,0,0,0,0|3,0,0]=4 2418 B12R1.69 CCCCc1ncc(cc1C)C 271570a_100020621405_100009864548 [0,1,0,0,0,0|3,0,0]=4 2419 B12R1.69 CCCCc1ncc(cc1C)F 271570a_100020621405_100009817009 [0,1,0,0,0,0|3,0,0]=4 2420 B12R1.69 CCCCc1ncc(cc1C)N 271570a_100020621405_100000761747 [0,1,0,0,0,0|3,0,0]=4 2421 B12R1.69 CCCCc1ncc(cc1C)O 271570a_100020621405_100012000486 [0,1,0,0,0,0|3,0,0]=4 2422 B12R1.69 CCCCc1ncc(cc1F)Br 271570a_100020621405_100012348576 [0,1,0,0,0,0|2,1,0]=4 2423 B12R1.69 CCCCc1ncc(cc1F)C 271570a_100020621405_100009819633 [0,1,0,0,0,0|2,1,0]=4 2424 B12R1.69 CCCCc1ncc(cc1F)Cl 271570a_100020621405_100012348686 [0,1,0,0,0,0|2,1,0]=4 2425 B12R1.69 CCCCc1ncc(cc1F)F 271570a_100020621405_100011219543 [0,1,0,0,0,0|2,1,0]=4 2426 B12R1.69 CCCCc1ncc(cc1F)N 271570a_100020621405_100010280766 [0,1,0,0,0,0|2,1,0]=4 2427 B12R1.69 CCCCc1ncc(cc1F)O 271570a_100020621405_100000063512 [0,1,0,0,0,0|2,1,0]=4 2428 B12R1.69 CCCCc1ncc(cc1N)Br 271570a_100020621405_100010090555 [0,1,0,0,0,0|3,0,0]=4 2429 B12R1.69 CCCCc1ncc(cc1N)C 271570a_100020621405_100000733613 [0,1,0,0,0,0|3,0,0]=4 2430 B12R1.69 CCCCc1ncc(cc1N)F 271570a_100020621405_100009817643 [0,1,0,0,0,0|3,0,0]=4 2431 B12R1.69 CCCCc1ncc(cc1N)N 271570a_100020621405_200000093520 [0,1,0,0,0,0|3,0,0]=4 2432 B12R1.69 CCCCc1ncc(cc1O)Br 271570a_100020621405_100010210634 [0,1,0,0,0,0|3,0,0]=4 2433 B12R1.69 CCCCc1ncc(cc1O)C 271570a_100020621405_100012000487 [0,1,0,0,0,0|3,0,0]=4 2434 B12R1.69 CCCCc1ncc(cc1O)Cl 271570a_100020621405_100010233512 [0,1,0,0,0,0|3,0,0]=4 2435 B12R1.69 CCCCc1ncc(cc1O)F 271570a_100020621405_100000079967 [0,1,0,0,0,0|3,0,0]=4 2436 B12R1.69 CCCNc1ccc(cc1Br)Br 34a_100000211012_100000210303 [0,1,0,0,0,0|2,1,0]=4 2437 B12R1.69 CCCNc1ccc(cc1Br)C 34a_100000210942_100000210303 [0,1,0,0,0,0|2,1,0]=4 2438 B12R1.69 CCCNc1ccc(cc1Br)Cl 34a_100000752454_100000210303 [0,1,0,0,0,0|2,1,0]=4 2439 B12R1.69 CCCNc1ccc(cc1Br)F 34a_100000738039_100000210303 [0,1,0,0,0,0|2,1,0]=4 2440 B12R1.69 CCCNc1ccc(cc1Br)O 34a_100012001276_100000210303 [0,1,0,0,0,0|2,1,0]=4 2441 B12R1.69 CCCNc1ccc(cc1C)Br 34a_100000211769_100000210303 [0,1,0,0,0,0|3,0,0]=4 2442 B12R1.69 CCCNc1ccc(cc1C)Br 7a_100000211769_100000210303 [0,1,0,0,0,0|3,0,0]=4 2443 B12R1.69 CCCNc1ccc(cc1C)C 34a_100000736561_100000210303 [0,1,0,0,0,0|3,0,0]=4 2444 B12R1.69 CCCNc1ccc(cc1C)C 7a_100000736561_100000210303 [0,1,0,0,0,0|3,0,0]=4 2445 B12R1.69 CCCNc1ccc(cc1C)Cl 34a_100000210418_100000210303 [0,1,0,0,0,0|3,0,0]=4 2446 B12R1.69 CCCNc1ccc(cc1C)Cl 7a_100000210418_100000210303 [0,1,0,0,0,0|3,0,0]=4 2447 B12R1.69 CCCNc1ccc(cc1C)F 34a_100000211637_100000210303 [0,1,0,0,0,0|3,0,0]=4 2448 B12R1.69 CCCNc1ccc(cc1C)F 7a_100000211637_100000210303 [0,1,0,0,0,0|3,0,0]=4 2449 B12R1.69 CCCNc1ccc(cc1C)I 34a_100000184554_100000210303 [0,1,0,0,0,0|3,0,0]=4 2450 B12R1.69 CCCNc1ccc(cc1C)I 7a_100000184554_100000210303 [0,1,0,0,0,0|3,0,0]=4 2451 B12R1.69 CCCNc1ccc(cc1C)O 34a_100000756630_100000210303 [0,1,0,0,0,0|3,0,0]=4 2452 B12R1.69 CCCNc1ccc(cc1Cl)Br 34a_100000211467_100000210303 [0,1,0,0,0,0|2,0,0]=3 2453 B12R1.69 CCCNc1ccc(cc1Cl)C 34a_100000210522_100000210303 [0,1,0,0,0,0|2,0,0]=3 2454 B12R1.69 CCCNc1ccc(cc1Cl)Cl 34a_100000185861_100000210303 [0,1,0,0,0,0|2,0,0]=3 2455 B12R1.69 CCCNc1ccc(cc1Cl)F 34a_100000212003_100000210303 [0,1,0,0,0,0|2,0,0]=3 2456 B12R1.69 CCCNc1ccc(cc1Cl)I 34a_100011218065_100000210303 [0,1,0,0,0,0|2,0,0]=3 2457 B12R1.69 CCCNc1ccc(cc1Cl)O 34a_100011215599_100000210303 [0,1,0,0,0,0|2,0,0]=3 2458 B12R1.69 CCCNc1ccc(cc1F)Br 34a_100000210722_100000210303 [0,1,0,0,0,0|2,1,0]=4 2459 B12R1.69 CCCNc1ccc(cc1F)C 34a_100000211023_100000210303 [0,1,0,0,0,0|2,1,0]=4 2460 B12R1.69 CCCNc1ccc(cc1F)Cl 34a_100000211020_100000210303 [0,1,0,0,0,0|2,1,0]=4 2461 B12R1.69 CCCNc1ccc(cc1F)F 34a_100000210720_100000210303 [0,1,0,0,0,0|2,1,0]=4 2462 B12R1.69 CCCNc1ccc(cc1F)I 34a_100011215594_100000210303 [0,1,0,0,0,0|2,1,0]=4 2463 B12R1.69 CCCNc1ccc(cc1F)O 34a_100000759473_100000210303 [0,1,0,0,0,0|2,1,0]=4 2464 B12R1.69 CCCNc1ccc(cc1I)Br 34a_100000187925_100000210303 [0,1,0,0,0,0|2,1,0]=4 2465 B12R1.69 CCCNc1ccc(cc1I)C 34a_100011356834_100000210303 [0,1,0,0,0,0|2,1,0]=4 2466 B12R1.69 CCCNc1ccc(cc1I)Cl 34a_100000761889_100000210303 [0,1,0,0,0,0|2,1,0]=4 2467 B12R1.69 CCCNc1ccc(cc1I)F 34a_100000760547_100000210303 [0,1,0,0,0,0|2,1,0]=4 2468 B12R1.69 CCCNc1ccc(cc1I)O 34a_100010084370_100000210303 [0,1,0,0,0,0|2,1,0]=4 2469 B12R1.69 CCCNc1ccc(cc1O)Br 34a_100000739049_100000210303 [0,1,0,0,0,0|3,0,0]=4 2470 B12R1.69 CCCNc1ccc(cc1O)C 34a_100000211527_100000210303 [0,1,0,0,0,0|3,0,0]=4 2471 B12R1.69 CCCNc1ccc(cc1O)Cl 34a_100000185728_100000210303 [0,1,0,0,0,0|3,0,0]=4 2472 B12R1.69 CCCNc1ccc(cc1O)F 34a_100000753323_100000210303 [0,1,0,0,0,0|3,0,0]=4 2473 B12R1.69 CCCNc1ccc(cc1O)O 34a_100000106777_100000210303 [0,1,0,0,0,0|3,0,0]=4 2474 B12R1.69 CCCOc1ccc(cc1Br)Br 34a_100000188717_100000210303 [0,1,0,0,0,0|2,1,0]=4 2475 B12R1.69 CCCOc1ccc(cc1Br)Br 7a_100000188717_100000210303 [0,1,0,0,0,0|2,1,0]=4 2476 B12R1.69 CCCOc1ccc(cc1Br)C 34a_100000210800_100000210303 [0,1,0,0,0,0|2,1,0]=4 2477 B12R1.69 CCCOc1ccc(cc1Br)C 7a_100000210800_100000210303 [0,1,0,0,0,0|2,1,0]=4 2478 B12R1.69 CCCOc1ccc(cc1Br)Cl 34a_100000211998_100000210303 [0,1,0,0,0,0|2,1,0]=4 2479 B12R1.69 CCCOc1ccc(cc1Br)Cl 7a_100000211998_100000210303 [0,1,0,0,0,0|2,1,0]=4 2480 B12R1.69 CCCOc1ccc(cc1Br)F 34a_100000211999_100000210303 [0,1,0,0,0,0|2,1,0]=4 2481 B12R1.69 CCCOc1ccc(cc1Br)F 7a_100000211999_100000210303 [0,1,0,0,0,0|2,1,0]=4 2482 B12R1.69 CCCOc1ccc(cc1Br)I 34a_100012361655_100000210303 [0,1,0,0,0,0|2,1,0]=4 2483 B12R1.69 CCCOc1ccc(cc1Br)I 7a_100012361655_100000210303 [0,1,0,0,0,0|2,1,0]=4 2484 B12R1.69 CCCOc1ccc(cc1Br)N 34a_100011534360_100000210303 [0,1,0,0,0,0|2,1,0]=4 2485 B12R1.69 CCCOc1ccc(cc1Br)N 7a_100011534360_100000210303 [0,1,0,0,0,0|2,1,0]=4 2486 B12R1.69 CCCOc1ccc(cc1C)Br 34a_100000186361_100000210303 [0,1,0,0,0,0|3,0,0]=4 2487 B12R1.69 CCCOc1ccc(cc1C)Br 7a_100000186361_100000210303 [0,1,0,0,0,0|3,0,0]=4 2488 B12R1.69 CCCOc1ccc(cc1C)C 34a_100000211776_100000210303 [0,1,0,0,0,0|3,0,0]=4 2489 B12R1.69 CCCOc1ccc(cc1C)C 7a_100000211776_100000210303 [0,1,0,0,0,0|3,0,0]=4 2490 B12R1.69 CCCOc1ccc(cc1C)Cl 34a_100000211091_100000210303 [0,1,0,0,0,0|3,0,0]=4 2491 B12R1.69 CCCOc1ccc(cc1C)Cl 7a_100000211091_100000210303 [0,1,0,0,0,0|3,0,0]=4 2492 B12R1.69 CCCOc1ccc(cc1C)F 34a_100000764316_100000210303 [0,1,0,0,0,0|3,0,0]=4 2493 B12R1.69 CCCOc1ccc(cc1C)F 7a_100000764316_100000210303 [0,1,0,0,0,0|3,0,0]=4 2494 B12R1.69 CCCOc1ccc(cc1C)I 34a_100011218673_100000210303 [0,1,0,0,0,0|3,0,0]=4 2495 B12R1.69 CCCOc1ccc(cc1C)I 7a_100011218673_100000210303 [0,1,0,0,0,0|3,0,0]=4 2496 B12R1.69 CCCOc1ccc(cc1C)N 34a_100011218179_100000210303 [0,1,0,0,0,0|3,0,0]=4 2497 B12R1.69 CCCOc1ccc(cc1C)N 7a_100011218179_100000210303 [0,1,0,0,0,0|3,0,0]=4 2498 B12R1.69 CCCOc1ccc(cc1Cl)Br 34a_100000186472_100000210303 [0,1,0,0,0,0|2,0,0]=3 2499 B12R1.69 CCCOc1ccc(cc1Cl)Br 7a_100000186472_100000210303 [0,1,0,0,0,0|2,0,0]=3 2500 B12R1.69 CCCOc1ccc(cc1Cl)C 34a_100000749699_100000210303 [0,1,0,0,0,0|2,0,0]=3 2501 B12R1.69 CCCOc1ccc(cc1Cl)C 7a_100000749699_100000210303 [0,1,0,0,0,0|2,0,0]=3 2502 B12R1.69 CCCOc1ccc(cc1Cl)Cl 34a_100015191787_100000210303 [0,1,0,0,0,0|2,0,0]=3 2503 B12R1.69 CCCOc1ccc(cc1Cl)Cl 7a_100015191787_100000210303 [0,1,0,0,0,0|2,0,0]=3 2504 B12R1.69 CCCOc1ccc(cc1Cl)F 34a_100000212004_100000210303 [0,1,0,0,0,0|2,0,0]=3 2505 B12R1.69 CCCOc1ccc(cc1Cl)F 7a_100000212004_100000210303 [0,1,0,0,0,0|2,0,0]=3 2506 B12R1.69 CCCOc1ccc(cc1Cl)I 34a_100012360047_100000210303 [0,1,0,0,0,0|2,0,0]=3 2507 B12R1.69 CCCOc1ccc(cc1Cl)I 7a_100012360047_100000210303 [0,1,0,0,0,0|2,0,0]=3 2508 B12R1.69 CCCOc1ccc(cc1Cl)N 34a_100000744943_100000210303 [0,1,0,0,0,0|2,0,0]=3 2509 B12R1.69 CCCOc1ccc(cc1Cl)N 7a_100000744943_100000210303 [0,1,0,0,0,0|2,0,0]=3 2510 B12R1.69 CCCOc1ccc(cc1F)Br 34a_100000185481_100000210303 [0,1,0,0,0,0|2,1,0]=4 2511 B12R1.69 CCCOc1ccc(cc1F)Br 7a_100000185481_100000210303 [0,1,0,0,0,0|2,1,0]=4 2512 B12R1.69 CCCOc1ccc(cc1F)C 34a_100011216688_100000210303 [0,1,0,0,0,0|2,1,0]=4 2513 B12R1.69 CCCOc1ccc(cc1F)C 7a_100011216688_100000210303 [0,1,0,0,0,0|2,1,0]=4 2514 B12R1.69 CCCOc1ccc(cc1F)Cl 34a_100000230166_100000210303 [0,1,0,0,0,0|2,1,0]=4 2515 B12R1.69 CCCOc1ccc(cc1F)Cl 7a_100000230166_100000210303 [0,1,0,0,0,0|2,1,0]=4 2516 B12R1.69 CCCOc1ccc(cc1F)F 34a_100000230127_100000210303 [0,1,0,0,0,0|2,1,0]=4 2517 B12R1.69 CCCOc1ccc(cc1F)F 7a_100000230127_100000210303 [0,1,0,0,0,0|2,1,0]=4 2518 B12R1.69 CCCOc1ccc(cc1F)I 34a_100011356965_100000210303 [0,1,0,0,0,0|2,1,0]=4 2519 B12R1.69 CCCOc1ccc(cc1F)I 7a_100011356965_100000210303 [0,1,0,0,0,0|2,1,0]=4 2520 B12R1.69 CCCOc1ccc(cc1F)N 34a_100011220035_100000210303 [0,1,0,0,0,0|2,1,0]=4 2521 B12R1.69 CCCOc1ccc(cc1F)N 7a_100011220035_100000210303 [0,1,0,0,0,0|2,1,0]=4 2522 B12R1.69 CCCOc1ccc(cc1I)Br 34a_100012355227_100000210303 [0,1,0,0,0,0|2,1,0]=4 2523 B12R1.69 CCCOc1ccc(cc1I)Br 7a_100012355227_100000210303 [0,1,0,0,0,0|2,1,0]=4 2524 B12R1.69 CCCOc1ccc(cc1I)C 34a_100000765521_100000210303 [0,1,0,0,0,0|2,1,0]=4 2525 B12R1.69 CCCOc1ccc(cc1I)C 7a_100000765521_100000210303 [0,1,0,0,0,0|2,1,0]=4 2526 B12R1.69 CCCOc1ccc(cc1I)Cl 34a_100011356953_100000210303 [0,1,0,0,0,0|2,1,0]=4 2527 B12R1.69 CCCOc1ccc(cc1I)Cl 7a_100011356953_100000210303 [0,1,0,0,0,0|2,1,0]=4 2528 B12R1.69 CCCOc1ccc(cc1I)F 34a_100012355409_100000210303 [0,1,0,0,0,0|2,1,0]=4 2529 B12R1.69 CCCOc1ccc(cc1I)F 7a_100012355409_100000210303 [0,1,0,0,0,0|2,1,0]=4 2530 B12R1.69 CCCOc1ccc(cc1I)I 7a_100010001573_100000210303 [0,1,0,0,0,0|2,1,0]=4 2531 B12R1.69 CCCOc1ccc(cc1N)Br 34a_100000752626_100000210303 [0,1,0,0,0,0|3,0,0]=4 2532 B12R1.69 CCCOc1ccc(cc1N)Br 7a_100000752626_100000210303 [0,1,0,0,0,0|3,0,0]=4 2533 B12R1.69 CCCOc1ccc(cc1N)C 34a_100011215204_100000210303 [0,1,0,0,0,0|3,0,0]=4 2534 B12R1.69 CCCOc1ccc(cc1N)C 7a_100011215204_100000210303 [0,1,0,0,0,0|3,0,0]=4 2535 B12R1.69 CCCOc1ccc(cc1N)Cl 34a_100000210500_100000210303 [0,1,0,0,0,0|3,0,0]=4 2536 B12R1.69 CCCOc1ccc(cc1N)Cl 7a_100000210500_100000210303 [0,1,0,0,0,0|3,0,0]=4 2537 B12R1.69 CCCOc1ccc(cc1N)F 34a_100000759472_100000210303 [0,1,0,0,0,0|3,0,0]=4 2538 B12R1.69 CCCOc1ccc(cc1N)F 7a_100000759472_100000210303 [0,1,0,0,0,0|3,0,0]=4 2539 B12R1.69 CCCOc1ccc(cc1N)I 34a_100000753495_100000210303 [0,1,0,0,0,0|3,0,0]=4 2540 B12R1.69 CCCOc1ccc(cc1N)I 7a_100000753495_100000210303 [0,1,0,0,0,0|3,0,0]=4 2541 B12R1.69 CCCOc1ccc(cc1N)N 34a_100000725306_100000210303 [0,1,0,0,0,0|3,0,0]=4 2542 B12R1.69 CCCOc1ccc(cc1O)F 271570a_203496583355_200000171698 [0,1,0,0,0,0|3,0,0]=4 2543 B12R1.69 CCCOc1ccc(nc1Cl)Br 34a_100010246206_100000210303 [0,1,0,0,0,0|3,0,0]=4 2544 B12R1.69 CCCOc1ccc(nc1Cl)Br 7a_100010246206_100000210303 [0,1,0,0,0,0|3,0,0]=4 2545 B12R1.69 CCCOc1ccc(nc1Cl)C 34a_100000086286_100000210303 [0,1,0,0,0,0|3,0,0]=4 2546 B12R1.69 CCCOc1ccc(nc1Cl)C 7a_100000086286_100000210303 [0,1,0,0,0,0|3,0,0]=4 2547 B12R1.69 CCCOc1ccc(nc1Cl)Cl 34a_100000101165_100000210303 [0,1,0,0,0,0|3,0,0]=4 2548 B12R1.69 CCCOc1ccc(nc1Cl)Cl 7a_100000101165_100000210303 [0,1,0,0,0,0|3,0,0]=4 2549 B12R1.69 CCCOc1ccc(nc1Cl)I 34a_100000721234_100000210303 [0,1,0,0,0,0|3,0,0]=4 2550 B12R1.69 CCCOc1ccc(nc1Cl)I 7a_100000721234_100000210303 [0,1,0,0,0,0|3,0,0]=4 2551 B12R1.69 CCCOc1cnc(cc1Cl)Cl 34a_100009868576_100000210303 [0,1,0,0,0,0|3,0,0]=4 2552 B12R1.69 CCCOc1cnc(cc1Cl)Cl 7a_100009868576_100000210303 [0,1,0,0,0,0|3,0,0]=4 2553 B12R1.69 CCCOc1ncc(cc1Cl)Br 34a_100012339560_100000210303 [0,1,0,0,0,0|3,0,0]=4 2554 B12R1.69 CCCOc1ncc(cc1Cl)F 34a_100009847679_100000210303 [0,1,0,0,0,0|3,0,0]=4 2555 B12R1.69 CCCSc1ccc(cc1Br)Br 62a_100000210303_100011484698 [0,1,0,0,0,0|2,1,0]=4 2556 B12R1.69 CCCSc1ccc(cc1Br)Br 62a_100011484698_100000210303 [0,1,0,0,0,0|2,1,0]=4 2557 B12R1.69 CCCSc1ccc(cc1Br)C 62a_100000210303_100009813563 [0,1,0,0,0,0|2,1,0]=4 2558 B12R1.69 CCCSc1ccc(cc1Br)C 62a_100009813563_100000210303 [0,1,0,0,0,0|2,1,0]=4 2559 B12R1.69 CCCSc1ccc(cc1Br)Cl 62a_100000210303_100011219703 [0,1,0,0,0,0|2,1,0]=4 2560 B12R1.69 CCCSc1ccc(cc1Br)Cl 62a_100011219703_100000210303 [0,1,0,0,0,0|2,1,0]=4 2561 B12R1.69 CCCSc1ccc(cc1Br)F 62a_100000210303_100011217111 [0,1,0,0,0,0|2,1,0]=4 2562 B12R1.69 CCCSc1ccc(cc1Br)F 62a_100011217111_100000210303 [0,1,0,0,0,0|2,1,0]=4 2563 B12R1.69 CCCSc1ccc(cc1Br)N 62a_100000210303_100000750458 [0,1,0,0,0,0|2,1,0]=4 2564 B12R1.69 CCCSc1ccc(cc1Br)N 62a_100000750458_100000210303 [0,1,0,0,0,0|2,1,0]=4 2565 B12R1.69 CCCSc1ccc(cc1Br)O 62a_100000210303_100000701344 [0,1,0,0,0,0|2,1,0]=4 2566 B12R1.69 CCCSc1ccc(cc1Br)O 62a_100000701344_100000210303 [0,1,0,0,0,0|2,1,0]=4 2567 B12R1.69 CCCSc1ccc(cc1C)Br 62a_100000210303_100000701812 [0,1,0,0,0,0|3,0,0]=4 2568 B12R1.69 CCCSc1ccc(cc1C)Br 62a_100000701812_100000210303 [0,1,0,0,0,0|3,0,0]=4 2569 B12R1.69 CCCSc1ccc(cc1C)C 62a_100000210303_100011217332 [0,1,0,0,0,0|3,0,0]=4 2570 B12R1.69 CCCSc1ccc(cc1C)C 62a_100011217332_100000210303 [0,1,0,0,0,0|3,0,0]=4 2571 B12R1.69 CCCSc1ccc(cc1C)Cl 62a_100000210303_100011219607 [0,1,0,0,0,0|3,0,0]=4 2572 B12R1.69 CCCSc1ccc(cc1C)Cl 62a_100011219607_100000210303 [0,1,0,0,0,0|3,0,0]=4 2573 B12R1.69 CCCSc1ccc(cc1C)F 62a_100000210303_100011205405 [0,1,0,0,0,0|3,0,0]=4 2574 B12R1.69 CCCSc1ccc(cc1C)F 62a_100011205405_100000210303 [0,1,0,0,0,0|3,0,0]=4 2575 B12R1.69 CCCSc1ccc(cc1C)N 62a_100000210303_100000210723 [0,1,0,0,0,0|3,0,0]=4 2576 B12R1.69 CCCSc1ccc(cc1C)N 62a_100000210723_100000210303 [0,1,0,0,0,0|3,0,0]=4 2577 B12R1.69 CCCSc1ccc(cc1C)O 62a_100000210303_100000690111 [0,1,0,0,0,0|3,0,0]=4 2578 B12R1.69 CCCSc1ccc(cc1Cl)Br 62a_100000210303_100011216062 [0,1,0,0,0,0|2,0,0]=3 2579 B12R1.69 CCCSc1ccc(cc1Cl)Br 62a_100011216062_100000210303 [0,1,0,0,0,0|2,0,0]=3 2580 B12R1.69 CCCSc1ccc(cc1Cl)C 62a_100000210303_100011263221 [0,1,0,0,0,0|2,0,0]=3 2581 B12R1.69 CCCSc1ccc(cc1Cl)C 62a_100011263221_100000210303 [0,1,0,0,0,0|2,0,0]=3 2582 B12R1.69 CCCSc1ccc(cc1Cl)Cl 62a_100000210303_100000699841 [0,1,0,0,0,0|2,0,0]=3 2583 B12R1.69 CCCSc1ccc(cc1Cl)Cl 62a_100000699841_100000210303 [0,1,0,0,0,0|2,0,0]=3 2584 B12R1.69 CCCSc1ccc(cc1Cl)F 62a_100000210303_100000733362 [0,1,0,0,0,0|2,0,0]=3 2585 B12R1.69 CCCSc1ccc(cc1Cl)F 62a_100000733362_100000210303 [0,1,0,0,0,0|2,0,0]=3 2586 B12R1.69 CCCSc1ccc(cc1Cl)N 62a_100000210303_100000761885 [0,1,0,0,0,0|2,0,0]=3 2587 B12R1.69 CCCSc1ccc(cc1Cl)N 62a_100000761885_100000210303 [0,1,0,0,0,0|2,0,0]=3 2588 B12R1.69 CCCSc1ccc(cc1Cl)O 62a_100000047559_100000210303 [0,1,0,0,0,0|2,0,0]=3 2589 B12R1.69 CCCSc1ccc(cc1Cl)O 62a_100000210303_100000047559 [0,1,0,0,0,0|2,0,0]=3 2590 B12R1.69 CCCSc1ccc(cc1F)Br 62a_100000210303_100009814013 [0,1,0,0,0,0|2,1,0]=4 2591 B12R1.69 CCCSc1ccc(cc1F)Br 62a_100009814013_100000210303 [0,1,0,0,0,0|2,1,0]=4 2592 B12R1.69 CCCSc1ccc(cc1F)C 62a_100000210303_100011216119 [0,1,0,0,0,0|2,1,0]=4 2593 B12R1.69 CCCSc1ccc(cc1F)C 62a_100011216119_100000210303 [0,1,0,0,0,0|2,1,0]=4 2594 B12R1.69 CCCSc1ccc(cc1F)Cl 62a_100000210303_100011216042 [0,1,0,0,0,0|2,1,0]=4 2595 B12R1.69 CCCSc1ccc(cc1F)Cl 62a_100011216042_100000210303 [0,1,0,0,0,0|2,1,0]=4 2596 B12R1.69 CCCSc1ccc(cc1F)F 62a_100000210303_100000750030 [0,1,0,0,0,0|2,1,0]=4 2597 B12R1.69 CCCSc1ccc(cc1F)F 62a_100000750030_100000210303 [0,1,0,0,0,0|2,1,0]=4 2598 B12R1.69 CCCSc1ccc(cc1F)N 62a_100000210303_100011356925 [0,1,0,0,0,0|2,1,0]=4 2599 B12R1.69 CCCSc1ccc(cc1F)N 62a_100011356925_100000210303 [0,1,0,0,0,0|2,1,0]=4 2600 B12R1.69 CCCSc1ccc(cc1F)O 62a_100000210303_100000755031 [0,1,0,0,0,0|2,1,0]=4 2601 B12R1.69 CCCSc1ccc(cc1F)O 62a_100000755031_100000210303 [0,1,0,0,0,0|2,1,0]=4 2602 B12R1.69 CCCSc1ccc(cc1N)Br 62a_100000210303_100000743836 [0,1,0,0,0,0|3,0,0]=4 2603 B12R1.69 CCCSc1ccc(cc1N)Br 62a_100000743836_100000210303 [0,1,0,0,0,0|3,0,0]=4 2604 B12R1.69 CCCSc1ccc(cc1N)C 62a_100000210303_100011216686 [0,1,0,0,0,0|3,0,0]=4 2605 B12R1.69 CCCSc1ccc(cc1N)C 62a_100011216686_100000210303 [0,1,0,0,0,0|3,0,0]=4 2606 B12R1.69 CCCSc1ccc(cc1N)Cl 62a_100000210303_100000761886 [0,1,0,0,0,0|3,0,0]=4 2607 B12R1.69 CCCSc1ccc(cc1N)Cl 62a_100000761886_100000210303 [0,1,0,0,0,0|3,0,0]=4 2608 B12R1.69 CCCSc1ccc(cc1N)F 62a_100000210303_100000687223 [0,1,0,0,0,0|3,0,0]=4 2609 B12R1.69 CCCSc1ccc(cc1N)F 62a_100000687223_100000210303 [0,1,0,0,0,0|3,0,0]=4 2610 B12R1.69 CCCSc1ccc(cc1N)N 62a_100000210303_200012175722 [0,1,0,0,0,0|3,0,0]=4 2611 B12R1.69 CCCSc1ccc(cc1N)N 62a_200012175722_100000210303 [0,1,0,0,0,0|3,0,0]=4 2612 B12R1.69 CCCSc1ccc(cc1N)O 62a_100000210303_100011999798 [0,1,0,0,0,0|3,0,0]=4 2613 B12R1.69 CCCSc1ccc(cc1N)O 62a_100011999798_100000210303 [0,1,0,0,0,0|3,0,0]=4 2614 B12R1.69 CCCSc1ccc(cc1O)Br 62a_100000210303_100012344904 [0,1,0,0,0,0|3,0,0]=4 2615 B12R1.69 CCCSc1ccc(cc1O)Br 62a_100012344904_100000210303 [0,1,0,0,0,0|3,0,0]=4 2616 B12R1.69 CCCSc1ccc(cc1O)C 62a_100000210303_100012002257 [0,1,0,0,0,0|3,0,0]=4 2617 B12R1.69 CCCSc1ccc(cc1O)C 62a_100012002257_100000210303 [0,1,0,0,0,0|3,0,0]=4 2618 B12R1.69 CCCSc1ccc(cc1O)Cl 62a_100000050036_100000210303 [0,1,0,0,0,0|3,0,0]=4 2619 B12R1.69 CCCSc1ccc(cc1O)Cl 62a_100000210303_100000050036 [0,1,0,0,0,0|3,0,0]=4 2620 B12R1.69 CCCSc1ccc(cc1O)F 62a_100000210303_100000690578 [0,1,0,0,0,0|3,0,0]=4 2621 B12R1.69 CCCSc1ccc(cc1O)F 62a_100000690578_100000210303 [0,1,0,0,0,0|3,0,0]=4 2622 B12R1.69 CCCSc1ccc(cc1O)O 62a_100000210303_100009813921 [0,1,0,0,0,0|3,0,0]=4 2623 B12R1.69 CCCSc1ccc(nc1Cl)Br 62a_100000210303_100010246183 [0,1,0,0,0,0|3,0,0]=4 2624 B12R1.69 CCCSc1ccc(nc1Cl)Br 62a_100010246183_100000210303 [0,1,0,0,0,0|3,0,0]=4 2625 B12R1.69 CCCSc1ccc(nc1Cl)Cl 62a_100000210303_100000043682 [0,1,0,0,0,0|3,0,0]=4 2626 B12R1.69 CCCSc1ccc(nc1Cl)N 62a_100000210303_100010270343 [0,1,0,0,0,0|3,0,0]=4 2627 B12R1.69 CCCSc1ccc(nc1Cl)N 62a_100010270343_100000210303 [0,1,0,0,0,0|3,0,0]=4 2628 B12R1.69 CCCSc1cnc(cc1Cl)Br 62a_100000210303_100010381092 [0,1,0,0,0,0|3,0,0]=4 2629 B12R1.69 CCCSc1cnc(cc1Cl)Br 62a_100010381092_100000210303 [0,1,0,0,0,0|3,0,0]=4 2630 B12R1.69 CCCSc1cnc(cc1Cl)Cl 62a_100000210303_100010200927 [0,1,0,0,0,0|3,0,0]=4 2631 B12R1.69 CCCSc1cnc(cc1Cl)Cl 62a_100010200927_100000210303 [0,1,0,0,0,0|3,0,0]=4 2632 B12R1.69 CCCSc1cnc(cc1Cl)N 62a_100000210303_100000694920 [0,1,0,0,0,0|3,0,0]=4 2633 B12R1.69 CCCSc1cnc(cc1Cl)N 62a_100000694920_100000210303 [0,1,0,0,0,0|3,0,0]=4 2634 B12R1.69 CCNCc1ccc(cc1Br)Br 207a_100015525214_100012351556 [0,1,0,0,0,0|2,1,0]=4 2635 B12R1.69 CCNCc1ccc(cc1Br)Br 2230a_100015525214_200012351560 [0,1,0,0,0,0|2,1,0]=4 2636 B12R1.69 CCNCc1ccc(cc1Br)Br 270004a_100015525214_100012351556 [0,1,0,0,0,0|2,1,0]=4 2637 B12R1.69 CCNCc1ccc(cc1Br)C 207a_100015525214_100000692596 [0,1,0,0,0,0|2,1,0]=4 2638 B12R1.69 CCNCc1ccc(cc1Br)C 270004a_100015525214_100000692596 [0,1,0,0,0,0|2,1,0]=4 2639 B12R1.69 CCNCc1ccc(cc1Br)Cl 207a_100015525214_100000687667 [0,1,0,0,0,0|2,1,0]=4 2640 B12R1.69 CCNCc1ccc(cc1Br)Cl 2230a_100015525214_100000755608 [0,1,0,0,0,0|2,1,0]=4 2641 B12R1.69 CCNCc1ccc(cc1Br)Cl 270004a_100015525214_100000687667 [0,1,0,0,0,0|2,1,0]=4 2642 B12R1.69 CCNCc1ccc(cc1Br)Cl 34a_100102692131_100000210202 [0,1,0,0,0,0|2,1,0]=4 2643 B12R1.69 CCNCc1ccc(cc1Br)F 207a_100015525214_100000685661 [0,1,0,0,0,0|2,1,0]=4 2644 B12R1.69 CCNCc1ccc(cc1Br)F 2230a_100015525214_100000243222 [0,1,0,0,0,0|2,1,0]=4 2645 B12R1.69 CCNCc1ccc(cc1Br)F 270004a_100015525214_100000685661 [0,1,0,0,0,0|2,1,0]=4 2646 B12R1.69 CCNCc1ccc(cc1Br)F 34a_100000708791_100000210202 [0,1,0,0,0,0|2,1,0]=4 2647 B12R1.69 CCNCc1ccc(cc1Br)I 207a_100015525214_100010185650 [0,1,0,0,0,0|2,1,0]=4 2648 B12R1.69 CCNCc1ccc(cc1Br)I 2230a_100015525214_100010146610 [0,1,0,0,0,0|2,1,0]=4 2649 B12R1.69 CCNCc1ccc(cc1C)Br 207a_100015525214_100000687586 [0,1,0,0,0,0|3,0,0]=4 2650 B12R1.69 CCNCc1ccc(cc1C)Br 2230a_100015525214_100000708836 [0,1,0,0,0,0|3,0,0]=4 2651 B12R1.69 CCNCc1ccc(cc1C)Br 270004a_100015525214_100000687586 [0,1,0,0,0,0|3,0,0]=4 2652 B12R1.69 CCNCc1ccc(cc1C)Br 34a_100000753881_100000210202 [0,1,0,0,0,0|3,0,0]=4 2653 B12R1.69 CCNCc1ccc(cc1C)C 207a_100015525214_100000211342 [0,1,0,0,0,0|3,0,0]=4 2654 B12R1.69 CCNCc1ccc(cc1C)C 2230a_100015525214_100011219618 [0,1,0,0,0,0|3,0,0]=4 2655 B12R1.69 CCNCc1ccc(cc1C)C 270004a_100015525214_100000211342 [0,1,0,0,0,0|3,0,0]=4 2656 B12R1.69 CCNCc1ccc(cc1C)C 34a_100000737523_100000210202 [0,1,0,0,0,0|3,0,0]=4 2657 B12R1.69 CCNCc1ccc(cc1C)Cl 207a_100015525214_100000766358 [0,1,0,0,0,0|3,0,0]=4 2658 B12R1.69 CCNCc1ccc(cc1C)Cl 2230a_100015525214_100012361307 [0,1,0,0,0,0|3,0,0]=4 2659 B12R1.69 CCNCc1ccc(cc1C)Cl 270004a_100015525214_100000766358 [0,1,0,0,0,0|3,0,0]=4 2660 B12R1.69 CCNCc1ccc(cc1C)Cl 34a_103436540063_100000210202 [0,1,0,0,0,0|3,0,0]=4 2661 B12R1.69 CCNCc1ccc(cc1C)F 207a_100015525214_100000745986 [0,1,0,0,0,0|3,0,0]=4 2662 B12R1.69 CCNCc1ccc(cc1C)F 2230a_100015525214_100000700533 [0,1,0,0,0,0|3,0,0]=4 2663 B12R1.69 CCNCc1ccc(cc1C)F 270004a_100015525214_100000745986 [0,1,0,0,0,0|3,0,0]=4 2664 B12R1.69 CCNCc1ccc(cc1C)F 34a_100137329023_100000210202 [0,1,0,0,0,0|3,0,0]=4 2665 B12R1.69 CCNCc1ccc(cc1Cl)Br 207a_100015525214_100000764164 [0,1,0,0,0,0|2,0,0]=3 2666 B12R1.69 CCNCc1ccc(cc1Cl)Br 2230a_100015525214_100011740631 [0,1,0,0,0,0|2,0,0]=3 2667 B12R1.69 CCNCc1ccc(cc1Cl)Br 270004a_100015525214_100000764164 [0,1,0,0,0,0|2,0,0]=3 2668 B12R1.69 CCNCc1ccc(cc1Cl)Br 34a_100020628970_100000210202 [0,1,0,0,0,0|2,0,0]=3 2669 B12R1.69 CCNCc1ccc(cc1Cl)C 207a_100015525214_100011935181 [0,1,0,0,0,0|2,0,0]=3 2670 B12R1.69 CCNCc1ccc(cc1Cl)C 2230a_100015525214_100012349684 [0,1,0,0,0,0|2,0,0]=3 2671 B12R1.69 CCNCc1ccc(cc1Cl)C 270004a_100015525214_100011935181 [0,1,0,0,0,0|2,0,0]=3 2672 B12R1.69 CCNCc1ccc(cc1Cl)C 34a_100011997539_100000210202 [0,1,0,0,0,0|2,0,0]=3 2673 B12R1.69 CCNCc1ccc(cc1Cl)Cl 207a_100015525214_100000188887 [0,1,0,0,0,0|2,0,0]=3 2674 B12R1.69 CCNCc1ccc(cc1Cl)Cl 2230a_100015525214_100000188473 [0,1,0,0,0,0|2,0,0]=3 2675 B12R1.69 CCNCc1ccc(cc1Cl)Cl 270004a_100015525214_100000188887 [0,1,0,0,0,0|2,0,0]=3 2676 B12R1.69 CCNCc1ccc(cc1Cl)Cl 34a_100000174880_100000210202 [0,1,0,0,0,0|2,0,0]=3 2677 B12R1.69 CCNCc1ccc(cc1Cl)F 207a_100015525214_100000752949 [0,1,0,0,0,0|2,0,0]=3 2678 B12R1.69 CCNCc1ccc(cc1Cl)F 2230a_100015525214_100011216360 [0,1,0,0,0,0|2,0,0]=3 2679 B12R1.69 CCNCc1ccc(cc1Cl)F 270004a_100015525214_100000752949 [0,1,0,0,0,0|2,0,0]=3 2680 B12R1.69 CCNCc1ccc(cc1Cl)F 34a_100000174946_100000210202 [0,1,0,0,0,0|2,0,0]=3 2681 B12R1.69 CCNCc1ccc(cc1Cl)I 207a_100015525214_100000727542 [0,1,0,0,0,0|2,0,0]=3 2682 B12R1.69 CCNCc1ccc(cc1Cl)O 34a_200161156549_100000210202 [0,1,0,0,0,0|2,0,0]=3 2683 B12R1.69 CCNCc1ccc(cc1F)Br 207a_100015525214_100000211676 [0,1,0,0,0,0|2,1,0]=4 2684 B12R1.69 CCNCc1ccc(cc1F)Br 2230a_100015525214_100000211606 [0,1,0,0,0,0|2,1,0]=4 2685 B12R1.69 CCNCc1ccc(cc1F)Br 270004a_100015525214_100000211676 [0,1,0,0,0,0|2,1,0]=4 2686 B12R1.69 CCNCc1ccc(cc1F)Br 34a_100000754580_100000210202 [0,1,0,0,0,0|2,1,0]=4 2687 B12R1.69 CCNCc1ccc(cc1F)C 207a_100015525214_100011217368 [0,1,0,0,0,0|2,1,0]=4 2688 B12R1.69 CCNCc1ccc(cc1F)C 2230a_100015525214_100011217900 [0,1,0,0,0,0|2,1,0]=4 2689 B12R1.69 CCNCc1ccc(cc1F)C 270004a_100015525214_100011217368 [0,1,0,0,0,0|2,1,0]=4 2690 B12R1.69 CCNCc1ccc(cc1F)C 34a_100102887089_100000210202 [0,1,0,0,0,0|2,1,0]=4 2691 B12R1.69 CCNCc1ccc(cc1F)Cl 207a_100015525214_100000697372 [0,1,0,0,0,0|2,1,0]=4 2692 B12R1.69 CCNCc1ccc(cc1F)Cl 2230a_100015525214_100000709361 [0,1,0,0,0,0|2,1,0]=4 2693 B12R1.69 CCNCc1ccc(cc1F)Cl 270004a_100015525214_100000697372 [0,1,0,0,0,0|2,1,0]=4 2694 B12R1.69 CCNCc1ccc(cc1F)Cl 34a_100000708496_100000210202 [0,1,0,0,0,0|2,1,0]=4 2695 B12R1.69 CCNCc1ccc(cc1F)F 207a_100015525214_100000211964 [0,1,0,0,0,0|2,1,0]=4 2696 B12R1.69 CCNCc1ccc(cc1F)F 2230a_100015525214_100000748237 [0,1,0,0,0,0|2,1,0]=4 2697 B12R1.69 CCNCc1ccc(cc1F)F 270004a_100015525214_100000211964 [0,1,0,0,0,0|2,1,0]=4 2698 B12R1.69 CCNCc1ccc(cc1F)F 34a_100000737868_100000210202 [0,1,0,0,0,0|2,1,0]=4 2699 B12R1.69 CCNCc1ccc(cc1F)I 207a_100015525214_100000050965 [0,1,0,0,0,0|2,1,0]=4 2700 B12R1.69 CCNCc1ccc(cc1F)I 2230a_100015525214_100010244991 [0,1,0,0,0,0|2,1,0]=4 2701 B12R1.69 CCNCc1ccc(cc1I)Br 207a_100015525214_100010146562 [0,1,0,0,0,0|2,1,0]=4 2702 B12R1.69 CCNCc1ccc(cc1I)Br 2230a_100015525214_100010146615 [0,1,0,0,0,0|2,1,0]=4 2703 B12R1.69 CCNCc1ccc(cc1I)Br 270004a_100015525214_100010146562 [0,1,0,0,0,0|2,1,0]=4 2704 B12R1.69 CCNCc1ccc(cc1I)C 207a_100015525214_100010150104 [0,1,0,0,0,0|2,1,0]=4 2705 B12R1.69 CCNCc1ccc(cc1I)C 270004a_100015525214_100010150104 [0,1,0,0,0,0|2,1,0]=4 2706 B12R1.69 CCNCc1ccc(cc1I)Cl 2230a_100015525214_100010254388 [0,1,0,0,0,0|2,1,0]=4 2707 B12R1.69 CCNCc1ccc(cc1I)F 207a_100015525214_100010254405 [0,1,0,0,0,0|2,1,0]=4 2708 B12R1.69 CCNCc1ccc(cc1I)F 2230a_100015525214_100012354799 [0,1,0,0,0,0|2,1,0]=4 2709 B12R1.69 CCNCc1ccc(nc1Cl)Cl 2230a_100015525214_100000722033 [0,1,0,0,0,0|3,0,0]=4 2710 B12R1.69 CCNCc1cnc(cc1Cl)Cl 2230a_100015525214_100011997056 [0,1,0,0,0,0|3,0,0]=4 2711 B12R1.69 CCNCc1ncc(cc1Cl)Br 207a_100015525214_100009814801 [0,1,0,0,0,0|3,0,0]=4 2712 B12R1.69 CCNCc1ncc(cc1Cl)Br 270004a_100015525214_100009814801 [0,1,0,0,0,0|3,0,0]=4 2713 B12R1.69 CCNCc1ncc(cc1Cl)Br 34a_100025703182_100000210202 [0,1,0,0,0,0|3,0,0]=4 2714 B12R1.69 CCNCc1ncc(cc1Cl)Cl 207a_100015525214_100011361609 [0,1,0,0,0,0|3,0,0]=4 2715 B12R1.69 CCNCc1ncc(cc1Cl)Cl 270004a_100015525214_100011361609 [0,1,0,0,0,0|3,0,0]=4 2716 B12R1.69 CCNCc1ncc(cc1Cl)F 34a_100020639648_100000210202 [0,1,0,0,0,0|3,0,0]=4 2717 B12R1.69 CCOCc1ccc(cc1Br)Br 34a_100012357508_100000210202 [0,1,0,0,0,0|2,1,0]=4 2718 B12R1.69 CCOCc1ccc(cc1Br)Br 34a_100121572206_200012351560 [0,1,0,0,0,0|2,1,0]=4 2719 B12R1.69 CCOCc1ccc(cc1Br)Br 7a_100012357508_100000210202 [0,1,0,0,0,0|2,1,0]=4 2720 B12R1.69 CCOCc1ccc(cc1Br)Cl 34a_100000707881_100000210202 [0,1,0,0,0,0|2,1,0]=4 2721 B12R1.69 CCOCc1ccc(cc1Br)Cl 34a_100121572206_100000755608 [0,1,0,0,0,0|2,1,0]=4 2722 B12R1.69 CCOCc1ccc(cc1Br)Cl 7a_100000707881_100000210202 [0,1,0,0,0,0|2,1,0]=4 2723 B12R1.69 CCOCc1ccc(cc1Br)F 34a_100000744086_100000210202 [0,1,0,0,0,0|2,1,0]=4 2724 B12R1.69 CCOCc1ccc(cc1Br)F 34a_100121572206_100000243222 [0,1,0,0,0,0|2,1,0]=4 2725 B12R1.69 CCOCc1ccc(cc1Br)F 7a_100000744086_100000210202 [0,1,0,0,0,0|2,1,0]=4 2726 B12R1.69 CCOCc1ccc(cc1Br)I 34a_100121572206_100010146610 [0,1,0,0,0,0|2,1,0]=4 2727 B12R1.69 CCOCc1ccc(cc1Br)I 7a_100010240206_100000210202 [0,1,0,0,0,0|2,1,0]=4 2728 B12R1.69 CCOCc1ccc(cc1C)Br 34a_100000748258_100000210202 [0,1,0,0,0,0|3,0,0]=4 2729 B12R1.69 CCOCc1ccc(cc1C)Br 34a_100121572206_100000708836 [0,1,0,0,0,0|3,0,0]=4 2730 B12R1.69 CCOCc1ccc(cc1C)Br 7a_100000748258_100000210202 [0,1,0,0,0,0|3,0,0]=4 2731 B12R1.69 CCOCc1ccc(cc1C)C 34a_100011215341_100000210202 [0,1,0,0,0,0|3,0,0]=4 2732 B12R1.69 CCOCc1ccc(cc1C)C 34a_100121572206_100011219618 [0,1,0,0,0,0|3,0,0]=4 2733 B12R1.69 CCOCc1ccc(cc1C)C 7a_100011215341_100000210202 [0,1,0,0,0,0|3,0,0]=4 2734 B12R1.69 CCOCc1ccc(cc1C)Cl 34a_100000702939_100000210202 [0,1,0,0,0,0|3,0,0]=4 2735 B12R1.69 CCOCc1ccc(cc1C)Cl 34a_100121572206_100012361307 [0,1,0,0,0,0|3,0,0]=4 2736 B12R1.69 CCOCc1ccc(cc1C)Cl 7a_100000702939_100000210202 [0,1,0,0,0,0|3,0,0]=4 2737 B12R1.69 CCOCc1ccc(cc1C)F 34a_100000700136_100000210202 [0,1,0,0,0,0|3,0,0]=4 2738 B12R1.69 CCOCc1ccc(cc1C)F 34a_100121572206_100000700533 [0,1,0,0,0,0|3,0,0]=4 2739 B12R1.69 CCOCc1ccc(cc1C)F 7a_100000700136_100000210202 [0,1,0,0,0,0|3,0,0]=4 2740 B12R1.69 CCOCc1ccc(cc1C)N 34a_100000102464_100000210202 [0,1,0,0,0,0|3,0,0]=4 2741 B12R1.69 CCOCc1ccc(cc1C)N 7a_100000102464_100000210202 [0,1,0,0,0,0|3,0,0]=4 2742 B12R1.69 CCOCc1ccc(cc1Cl)Br 34a_100000756401_100000210202 [0,1,0,0,0,0|2,0,0]=3 2743 B12R1.69 CCOCc1ccc(cc1Cl)Br 34a_100121572206_100011740631 [0,1,0,0,0,0|2,0,0]=3 2744 B12R1.69 CCOCc1ccc(cc1Cl)Br 7a_100000756401_100000210202 [0,1,0,0,0,0|2,0,0]=3 2745 B12R1.69 CCOCc1ccc(cc1Cl)C 34a_100000720314_100000210202 [0,1,0,0,0,0|2,0,0]=3 2746 B12R1.69 CCOCc1ccc(cc1Cl)C 34a_100121572206_100012349684 [0,1,0,0,0,0|2,0,0]=3 2747 B12R1.69 CCOCc1ccc(cc1Cl)C 7a_100000720314_100000210202 [0,1,0,0,0,0|2,0,0]=3 2748 B12R1.69 CCOCc1ccc(cc1Cl)Cl 34a_100000215721_100000210202 [0,1,0,0,0,0|2,0,0]=3 2749 B12R1.69 CCOCc1ccc(cc1Cl)Cl 34a_100121572206_100000188473 [0,1,0,0,0,0|2,0,0]=3 2750 B12R1.69 CCOCc1ccc(cc1Cl)Cl 7a_100000215721_100000210202 [0,1,0,0,0,0|2,0,0]=3 2751 B12R1.69 CCOCc1ccc(cc1Cl)F 34a_100011219954_100000210202 [0,1,0,0,0,0|2,0,0]=3 2752 B12R1.69 CCOCc1ccc(cc1Cl)F 34a_100121572206_100011216360 [0,1,0,0,0,0|2,0,0]=3 2753 B12R1.69 CCOCc1ccc(cc1Cl)F 7a_100011219954_100000210202 [0,1,0,0,0,0|2,0,0]=3 2754 B12R1.69 CCOCc1ccc(cc1Cl)N 34a_100000689119_100000210202 [0,1,0,0,0,0|2,0,0]=3 2755 B12R1.69 CCOCc1ccc(cc1F)Br 34a_100011191541_100000210202 [0,1,0,0,0,0|2,1,0]=4 2756 B12R1.69 CCOCc1ccc(cc1F)Br 34a_100121572206_100000211606 [0,1,0,0,0,0|2,1,0]=4 2757 B12R1.69 CCOCc1ccc(cc1F)Br 7a_100011191541_100000210202 [0,1,0,0,0,0|2,1,0]=4 2758 B12R1.69 CCOCc1ccc(cc1F)C 34a_100011216587_100000210202 [0,1,0,0,0,0|2,1,0]=4 2759 B12R1.69 CCOCc1ccc(cc1F)C 34a_100121572206_100012002367 [0,1,0,0,0,0|2,1,0]=4 2760 B12R1.69 CCOCc1ccc(cc1F)C 7a_100011216587_100000210202 [0,1,0,0,0,0|2,1,0]=4 2761 B12R1.69 CCOCc1ccc(cc1F)Cl 34a_100011217562_100000210202 [0,1,0,0,0,0|2,1,0]=4 2762 B12R1.69 CCOCc1ccc(cc1F)Cl 34a_100121572206_100000709361 [0,1,0,0,0,0|2,1,0]=4 2763 B12R1.69 CCOCc1ccc(cc1F)Cl 7a_100011217562_100000210202 [0,1,0,0,0,0|2,1,0]=4 2764 B12R1.69 CCOCc1ccc(cc1F)F 34a_100011215441_100000210202 [0,1,0,0,0,0|2,1,0]=4 2765 B12R1.69 CCOCc1ccc(cc1F)F 34a_100121572206_100000748237 [0,1,0,0,0,0|2,1,0]=4 2766 B12R1.69 CCOCc1ccc(cc1F)F 7a_100011215441_100000210202 [0,1,0,0,0,0|2,1,0]=4 2767 B12R1.69 CCOCc1ccc(cc1F)I 34a_100121572206_100010244991 [0,1,0,0,0,0|2,1,0]=4 2768 B12R1.69 CCOCc1ccc(cc1F)I 34a_200010202041_100000210202 [0,1,0,0,0,0|2,1,0]=4 2769 B12R1.69 CCOCc1ccc(cc1F)I 7a_200010202041_100000210202 [0,1,0,0,0,0|2,1,0]=4 2770 B12R1.69 CCOCc1ccc(cc1I)Br 34a_100121572206_100010146615 [0,1,0,0,0,0|2,1,0]=4 2771 B12R1.69 CCOCc1ccc(cc1I)Br 7a_100010146605_100000210202 [0,1,0,0,0,0|2,1,0]=4 2772 B12R1.69 CCOCc1ccc(cc1I)Cl 34a_100000722340_100000210202 [0,1,0,0,0,0|2,1,0]=4 2773 B12R1.69 CCOCc1ccc(cc1I)Cl 34a_100121572206_100010254388 [0,1,0,0,0,0|2,1,0]=4 2774 B12R1.69 CCOCc1ccc(cc1I)Cl 7a_100000722340_100000210202 [0,1,0,0,0,0|2,1,0]=4 2775 B12R1.69 CCOCc1ccc(cc1I)F 34a_100011356828_100000210202 [0,1,0,0,0,0|2,1,0]=4 2776 B12R1.69 CCOCc1ccc(cc1I)F 34a_100121572206_100012354799 [0,1,0,0,0,0|2,1,0]=4 2777 B12R1.69 CCOCc1ccc(cc1I)F 7a_100011356828_100000210202 [0,1,0,0,0,0|2,1,0]=4 2778 B12R1.69 CCOCc1ccc(cc1N)Br 34a_100000718831_100000210202 [0,1,0,0,0,0|3,0,0]=4 2779 B12R1.69 CCOCc1ccc(cc1N)Br 7a_100000718831_100000210202 [0,1,0,0,0,0|3,0,0]=4 2780 B12R1.69 CCOCc1ccc(cc1N)C 34a_100000087799_100000210202 [0,1,0,0,0,0|3,0,0]=4 2781 B12R1.69 CCOCc1ccc(cc1N)C 7a_100000087799_100000210202 [0,1,0,0,0,0|3,0,0]=4 2782 B12R1.69 CCOCc1ccc(cc1N)Cl 34a_100000238622_100000210202 [0,1,0,0,0,0|3,0,0]=4 2783 B12R1.69 CCOCc1ccc(cc1N)Cl 7a_100000238622_100000210202 [0,1,0,0,0,0|3,0,0]=4 2784 B12R1.69 CCOCc1ccc(cc1N)F 34a_100011996588_100000210202 [0,1,0,0,0,0|3,0,0]=4 2785 B12R1.69 CCOCc1ccc(nc1Cl)C 34a_102495338573_100000210202 [0,1,0,0,0,0|3,0,0]=4 2786 B12R1.69 CCOCc1ccc(nc1Cl)C 7a_102495338573_100000210202 [0,1,0,0,0,0|3,0,0]=4 2787 B12R1.69 CCOCc1ccc(nc1Cl)Cl 34a_100000720492_100000210202 [0,1,0,0,0,0|3,0,0]=4 2788 B12R1.69 CCOCc1ccc(nc1Cl)Cl 34a_100121572206_100000722033 [0,1,0,0,0,0|3,0,0]=4 2789 B12R1.69 CCOCc1ccc(nc1Cl)Cl 7a_100000720492_100000210202 [0,1,0,0,0,0|3,0,0]=4 2790 B12R1.69 CCOCc1cnc(cc1Cl)Cl 34a_100000702863_100000210202 [0,1,0,0,0,0|3,0,0]=4 2791 B12R1.69 CCOCc1cnc(cc1Cl)Cl 34a_100121572206_100011997056 [0,1,0,0,0,0|3,0,0]=4 2792 B12R1.69 CCOCc1cnc(cc1Cl)Cl 7a_100000702863_100000210202 [0,1,0,0,0,0|3,0,0]=4 2793 B12R1.69 CCOCc1ncc(cc1Cl)Br 34a_100010065239_100000210202 [0,1,0,0,0,0|3,0,0]=4 2794 B12R1.69 CCOCc1ncc(cc1Cl)Br 7a_100010065239_100000210202 [0,1,0,0,0,0|3,0,0]=4 2795 B12R1.69 CCOCc1ncc(cc1Cl)Cl 34a_100103146734_100000210202 [0,1,0,0,0,0|3,0,0]=4 2796 B12R1.69 CCOCc1ncc(cc1Cl)Cl 7a_100103146734_100000210202 [0,1,0,0,0,0|3,0,0]=4 2797 B12R1.69 CCSCc1ccc(cc1Br)Br 62a_100000210202_200012351560 [0,1,0,0,0,0|2,1,0]=4 2798 B12R1.69 CCSCc1ccc(cc1Br)Br 62a_200012351560_100000210202 [0,1,0,0,0,0|2,1,0]=4 2799 B12R1.69 CCSCc1ccc(cc1Br)Cl 62a_100000210202_100000755608 [0,1,0,0,0,0|2,1,0]=4 2800 B12R1.69 CCSCc1ccc(cc1Br)Cl 62a_100000755608_100000210202 [0,1,0,0,0,0|2,1,0]=4 2801 B12R1.69 CCSCc1ccc(cc1Br)F 62a_100000210202_100000243222 [0,1,0,0,0,0|2,1,0]=4 2802 B12R1.69 CCSCc1ccc(cc1Br)F 62a_100000243222_100000210202 [0,1,0,0,0,0|2,1,0]=4 2803 B12R1.69 CCSCc1ccc(cc1Br)I 62a_100000210202_100010146610 [0,1,0,0,0,0|2,1,0]=4 2804 B12R1.69 CCSCc1ccc(cc1Br)I 62a_100010146610_100000210202 [0,1,0,0,0,0|2,1,0]=4 2805 B12R1.69 CCSCc1ccc(cc1C)Br 62a_100000210202_100000708836 [0,1,0,0,0,0|3,0,0]=4 2806 B12R1.69 CCSCc1ccc(cc1C)Br 62a_100000708836_100000210202 [0,1,0,0,0,0|3,0,0]=4 2807 B12R1.69 CCSCc1ccc(cc1C)C 62a_100000210202_100011219618 [0,1,0,0,0,0|3,0,0]=4 2808 B12R1.69 CCSCc1ccc(cc1C)C 62a_100011219618_100000210202 [0,1,0,0,0,0|3,0,0]=4 2809 B12R1.69 CCSCc1ccc(cc1C)Cl 62a_100000210202_100012361307 [0,1,0,0,0,0|3,0,0]=4 2810 B12R1.69 CCSCc1ccc(cc1C)Cl 62a_100012361307_100000210202 [0,1,0,0,0,0|3,0,0]=4 2811 B12R1.69 CCSCc1ccc(cc1C)F 62a_100000210202_100000700533 [0,1,0,0,0,0|3,0,0]=4 2812 B12R1.69 CCSCc1ccc(cc1C)F 62a_100000700533_100000210202 [0,1,0,0,0,0|3,0,0]=4 2813 B12R1.69 CCSCc1ccc(cc1Cl)Br 62a_100000210202_100011740631 [0,1,0,0,0,0|2,0,0]=3 2814 B12R1.69 CCSCc1ccc(cc1Cl)Br 62a_100011740631_100000210202 [0,1,0,0,0,0|2,0,0]=3 2815 B12R1.69 CCSCc1ccc(cc1Cl)C 62a_100000210202_100012349684 [0,1,0,0,0,0|2,0,0]=3 2816 B12R1.69 CCSCc1ccc(cc1Cl)C 62a_100012349684_100000210202 [0,1,0,0,0,0|2,0,0]=3 2817 B12R1.69 CCSCc1ccc(cc1Cl)Cl 62a_100000188473_100000210202 [0,1,0,0,0,0|2,0,0]=3 2818 B12R1.69 CCSCc1ccc(cc1Cl)Cl 62a_100000210202_100000188473 [0,1,0,0,0,0|2,0,0]=3 2819 B12R1.69 CCSCc1ccc(cc1Cl)F 62a_100000187853_100000210202 [0,1,0,0,0,0|2,0,0]=3 2820 B12R1.69 CCSCc1ccc(cc1Cl)F 62a_100000210202_100000187853 [0,1,0,0,0,0|2,0,0]=3 2821 B12R1.69 CCSCc1ccc(cc1F)Br 62a_100000210202_100000211606 [0,1,0,0,0,0|2,1,0]=4 2822 B12R1.69 CCSCc1ccc(cc1F)Br 62a_100000211606_100000210202 [0,1,0,0,0,0|2,1,0]=4 2823 B12R1.69 CCSCc1ccc(cc1F)C 62a_100000210202_100011217900 [0,1,0,0,0,0|2,1,0]=4 2824 B12R1.69 CCSCc1ccc(cc1F)C 62a_100011217900_100000210202 [0,1,0,0,0,0|2,1,0]=4 2825 B12R1.69 CCSCc1ccc(cc1F)Cl 62a_100000210202_100000709361 [0,1,0,0,0,0|2,1,0]=4 2826 B12R1.69 CCSCc1ccc(cc1F)Cl 62a_100000709361_100000210202 [0,1,0,0,0,0|2,1,0]=4 2827 B12R1.69 CCSCc1ccc(cc1F)F 62a_100000210202_100000748237 [0,1,0,0,0,0|2,1,0]=4 2828 B12R1.69 CCSCc1ccc(cc1F)F 62a_100000748237_100000210202 [0,1,0,0,0,0|2,1,0]=4 2829 B12R1.69 CCSCc1ccc(cc1F)I 62a_100000210202_100010244991 [0,1,0,0,0,0|2,1,0]=4 2830 B12R1.69 CCSCc1ccc(cc1F)I 62a_100010244991_100000210202 [0,1,0,0,0,0|2,1,0]=4 2831 B12R1.69 CCSCc1ccc(cc1I)Br 62a_100000210202_100010146615 [0,1,0,0,0,0|2,1,0]=4 2832 B12R1.69 CCSCc1ccc(cc1I)Br 62a_100010146615_100000210202 [0,1,0,0,0,0|2,1,0]=4 2833 B12R1.69 CCSCc1ccc(cc1I)Cl 62a_100000210202_100010254388 [0,1,0,0,0,0|2,1,0]=4 2834 B12R1.69 CCSCc1ccc(cc1I)Cl 62a_100010254388_100000210202 [0,1,0,0,0,0|2,1,0]=4 2835 B12R1.69 CCSCc1ccc(cc1I)F 62a_100000210202_100012354799 [0,1,0,0,0,0|2,1,0]=4 2836 B12R1.69 CCSCc1ccc(cc1I)F 62a_100012354799_100000210202 [0,1,0,0,0,0|2,1,0]=4 2837 B12R1.69 CCSCc1ccc(nc1Cl)Cl 62a_100000210202_100000722033 [0,1,0,0,0,0|3,0,0]=4 2838 B12R1.69 CCSCc1ccc(nc1Cl)Cl 62a_100000722033_100000210202 [0,1,0,0,0,0|3,0,0]=4 2839 B12R1.69 CCSCc1cnc(cc1Cl)Cl 62a_100000210202_100011997056 [0,1,0,0,0,0|3,0,0]=4 2840 B12R1.69 CCSCc1cnc(cc1Cl)Cl 62a_100011997056_100000210202 [0,1,0,0,0,0|3,0,0]=4 2841 B12R1.69 CNCCc1ccc(cc1Br)Cl 2230a_106832991635_200012945151 [0,1,0,0,0,0|0,1,0]=2 2842 B12R1.69 CNCCc1ccc(cc1Br)Cl 34a_100102657272_200012945151 [0,1,0,0,0,0|0,1,0]=2 2843 B12R1.69 CNCCc1ccc(cc1Br)Cl 7a_106832991635_200012945151 [0,1,0,0,0,0|0,1,0]=2 2844 B12R1.69 CNCCc1ccc(cc1C)C 2230a_100000745621_200000210301 [0,1,0,0,0,0|1,0,0]=2 2845 B12R1.69 CNCCc1ccc(cc1C)C 270004a_106832991635_100011754701 [0,1,0,0,0,0|1,0,0]=2 2846 B12R1.69 CNCCc1ccc(cc1C)C 34a_100000745621_200000210301 [0,1,0,0,0,0|1,0,0]=2 2847 B12R1.69 CNCCc1ccc(cc1Cl)Cl 2230a_100000210994_200000210301 [0,1,0,0,0,0|0,0,0]=1 2848 B12R1.69 CNCCc1ccc(cc1Cl)Cl 2230a_106832991635_200012161198 [0,1,0,0,0,0|0,0,0]=1 2849 B12R1.69 CNCCc1ccc(cc1Cl)Cl 34a_100000210994_200000210301 [0,1,0,0,0,0|0,0,0]=1 2850 B12R1.69 CNCCc1ccc(cc1Cl)Cl 34a_100102657272_200012161198 [0,1,0,0,0,0|0,0,0]=1 2851 B12R1.69 CNCCc1ccc(cc1Cl)Cl 7a_106832991635_200012161198 [0,1,0,0,0,0|0,0,0]=1 2852 B12R1.69 CNCCc1ccc(cc1F)Cl 2230a_103496529009_200000210301 [0,1,0,0,0,0|0,1,0]=2 2853 B12R1.69 CNCCc1ccc(cc1F)Cl 34a_103496529009_200000210301 [0,1,0,0,0,0|0,1,0]=2 2854 B12R1.69 CNCCc1ccc(cc1F)F 2230a_100000754870_200000210301 [0,1,0,0,0,0|0,1,0]=2 2855 B12R1.69 CNCCc1ccc(cc1F)F 34a_100000754870_200000210301 [0,1,0,0,0,0|0,1,0]=2 2856 B12R1.69 COCCc1ccc(cc1Br)Cl 34a_100138415774_200012945151 [0,1,0,0,0,0|1,1,0]=3 2857 B12R1.69 COCCc1ccc(cc1Cl)Br 34a_100013445822_200000210301 [0,1,0,0,0,0|1,0,0]=2 2858 B12R1.69 COCCc1ccc(cc1Cl)Br 7a_100013445822_200000210301 [0,1,0,0,0,0|1,0,0]=2 2859 B12R1.69 COCCc1ccc(cc1Cl)Cl 34a_100011215701_200000210301 [0,1,0,0,0,0|1,0,0]=2 2860 B12R1.69 COCCc1ccc(cc1Cl)Cl 34a_100138415774_200012161198 [0,1,0,0,0,0|1,0,0]=2 2861 B12R1.69 COCCc1ccc(cc1Cl)Cl 7a_100011215701_200000210301 [0,1,0,0,0,0|1,0,0]=2 2862 B12R1.69 COCCc1ccc(cc1Cl)F 34a_100011962860_200000210301 [0,1,0,0,0,0|1,0,0]=2 2863 B12R1.69 COCCc1ccc(cc1Cl)F 7a_100011962860_200000210301 [0,1,0,0,0,0|1,0,0]=2 2864 B12R1.69 COCCc1ccc(cc1F)Br 34a_100011962869_200000210301 [0,1,0,0,0,0|1,1,0]=3 2865 B12R1.69 COCCc1ccc(cc1F)Br 7a_100011962869_200000210301 [0,1,0,0,0,0|1,1,0]=3 2866 B12R1.69 COCCc1ccc(cc1F)F 34a_100000697962_200000210301 [0,1,0,0,0,0|1,1,0]=3 2867 B12R1.69 COCCc1ccc(cc1F)F 7a_100000697962_200000210301 [0,1,0,0,0,0|1,1,0]=3 2868 B12R1.69 COCCn1ccc(cc1=O)O 271570a_203496583355_200015743058 [0,1,0,0,0,0|3,0,0]=4 2869 B12R1.69 COCOc1ccc(cc1F)O 271570a_203496583355_100009812708 [0,1,0,0,0,0|2,1,0]=4 2870 B12R1.69 COCOc1ccc(cc1O)C 271570a_203496583355_100012265689 [0,1,0,0,0,0|3,0,0]=4 2871 B12R1.69 COCSc1ccc(cc1Br)Br 62a_100000766300_100011484698 [0,1,0,0,0,0|2,1,0]=4 2872 B12R1.69 COCSc1ccc(cc1Br)Br 62a_100011484698_100000766300 [0,1,0,0,0,0|2,1,0]=4 2873 B12R1.69 COCSc1ccc(cc1Br)C 62a_100000766300_100009813563 [0,1,0,0,0,0|2,1,0]=4 2874 B12R1.69 COCSc1ccc(cc1Br)C 62a_100009813563_100000766300 [0,1,0,0,0,0|2,1,0]=4 2875 B12R1.69 COCSc1ccc(cc1Br)Cl 62a_100000766300_100011219703 [0,1,0,0,0,0|2,1,0]=4 2876 B12R1.69 COCSc1ccc(cc1Br)Cl 62a_100011219703_100000766300 [0,1,0,0,0,0|2,1,0]=4 2877 B12R1.69 COCSc1ccc(cc1Br)F 62a_100000766300_100011217111 [0,1,0,0,0,0|2,1,0]=4 2878 B12R1.69 COCSc1ccc(cc1Br)F 62a_100011217111_100000766300 [0,1,0,0,0,0|2,1,0]=4 2879 B12R1.69 COCSc1ccc(cc1Br)N 62a_100000750458_100000766300 [0,1,0,0,0,0|2,1,0]=4 2880 B12R1.69 COCSc1ccc(cc1Br)N 62a_100000766300_100000750458 [0,1,0,0,0,0|2,1,0]=4 2881 B12R1.69 COCSc1ccc(cc1Br)O 62a_100000701344_100000766300 [0,1,0,0,0,0|2,1,0]=4 2882 B12R1.69 COCSc1ccc(cc1Br)O 62a_100000766300_100000701344 [0,1,0,0,0,0|2,1,0]=4 2883 B12R1.69 COCSc1ccc(cc1C)Br 62a_100000701812_100000766300 [0,1,0,0,0,0|3,0,0]=4 2884 B12R1.69 COCSc1ccc(cc1C)Br 62a_100000766300_100000701812 [0,1,0,0,0,0|3,0,0]=4 2885 B12R1.69 COCSc1ccc(cc1C)C 62a_100000766300_100011217332 [0,1,0,0,0,0|3,0,0]=4 2886 B12R1.69 COCSc1ccc(cc1C)C 62a_100011217332_100000766300 [0,1,0,0,0,0|3,0,0]=4 2887 B12R1.69 COCSc1ccc(cc1C)Cl 62a_100000766300_100011219607 [0,1,0,0,0,0|3,0,0]=4 2888 B12R1.69 COCSc1ccc(cc1C)Cl 62a_100011219607_100000766300 [0,1,0,0,0,0|3,0,0]=4 2889 B12R1.69 COCSc1ccc(cc1C)F 62a_100000766300_100011205405 [0,1,0,0,0,0|3,0,0]=4 2890 B12R1.69 COCSc1ccc(cc1C)F 62a_100011205405_100000766300 [0,1,0,0,0,0|3,0,0]=4 2891 B12R1.69 COCSc1ccc(cc1C)N 62a_100000210723_100000766300 [0,1,0,0,0,0|3,0,0]=4 2892 B12R1.69 COCSc1ccc(cc1C)N 62a_100000766300_100000210723 [0,1,0,0,0,0|3,0,0]=4 2893 B12R1.69 COCSc1ccc(cc1C)O 62a_100000766300_100000690111 [0,1,0,0,0,0|3,0,0]=4 2894 B12R1.69 COCSc1ccc(cc1Cl)Br 62a_100000766300_100011216062 [0,1,0,0,0,0|2,0,0]=3 2895 B12R1.69 COCSc1ccc(cc1Cl)Br 62a_100011216062_100000766300 [0,1,0,0,0,0|2,0,0]=3 2896 B12R1.69 COCSc1ccc(cc1Cl)C 62a_100000766300_100011263221 [0,1,0,0,0,0|2,0,0]=3 2897 B12R1.69 COCSc1ccc(cc1Cl)C 62a_100011263221_100000766300 [0,1,0,0,0,0|2,0,0]=3 2898 B12R1.69 COCSc1ccc(cc1Cl)Cl 62a_100000699841_100000766300 [0,1,0,0,0,0|2,0,0]=3 2899 B12R1.69 COCSc1ccc(cc1Cl)Cl 62a_100000766300_100000699841 [0,1,0,0,0,0|2,0,0]=3 2900 B12R1.69 COCSc1ccc(cc1Cl)F 62a_100000733362_100000766300 [0,1,0,0,0,0|2,0,0]=3 2901 B12R1.69 COCSc1ccc(cc1Cl)F 62a_100000766300_100000733362 [0,1,0,0,0,0|2,0,0]=3 2902 B12R1.69 COCSc1ccc(cc1Cl)N 62a_100000761885_100000766300 [0,1,0,0,0,0|2,0,0]=3 2903 B12R1.69 COCSc1ccc(cc1Cl)N 62a_100000766300_100000761885 [0,1,0,0,0,0|2,0,0]=3 2904 B12R1.69 COCSc1ccc(cc1Cl)O 62a_100000047559_100000766300 [0,1,0,0,0,0|2,0,0]=3 2905 B12R1.69 COCSc1ccc(cc1Cl)O 62a_100000766300_100000047559 [0,1,0,0,0,0|2,0,0]=3 2906 B12R1.69 COCSc1ccc(cc1F)Br 62a_100000766300_100009814013 [0,1,0,0,0,0|2,1,0]=4 2907 B12R1.69 COCSc1ccc(cc1F)Br 62a_100009814013_100000766300 [0,1,0,0,0,0|2,1,0]=4 2908 B12R1.69 COCSc1ccc(cc1F)C 62a_100000766300_100011216119 [0,1,0,0,0,0|2,1,0]=4 2909 B12R1.69 COCSc1ccc(cc1F)C 62a_100011216119_100000766300 [0,1,0,0,0,0|2,1,0]=4 2910 B12R1.69 COCSc1ccc(cc1F)Cl 62a_100000766300_100011216042 [0,1,0,0,0,0|2,1,0]=4 2911 B12R1.69 COCSc1ccc(cc1F)Cl 62a_100011216042_100000766300 [0,1,0,0,0,0|2,1,0]=4 2912 B12R1.69 COCSc1ccc(cc1F)F 62a_100000750030_100000766300 [0,1,0,0,0,0|2,1,0]=4 2913 B12R1.69 COCSc1ccc(cc1F)F 62a_100000766300_100000750030 [0,1,0,0,0,0|2,1,0]=4 2914 B12R1.69 COCSc1ccc(cc1F)N 62a_100000766300_100011356925 [0,1,0,0,0,0|2,1,0]=4 2915 B12R1.69 COCSc1ccc(cc1F)N 62a_100011356925_100000766300 [0,1,0,0,0,0|2,1,0]=4 2916 B12R1.69 COCSc1ccc(cc1F)O 62a_100000755031_100000766300 [0,1,0,0,0,0|2,1,0]=4 2917 B12R1.69 COCSc1ccc(cc1F)O 62a_100000766300_100000755031 [0,1,0,0,0,0|2,1,0]=4 2918 B12R1.69 COCSc1ccc(cc1N)Br 62a_100000743836_100000766300 [0,1,0,0,0,0|3,0,0]=4 2919 B12R1.69 COCSc1ccc(cc1N)Br 62a_100000766300_100000743836 [0,1,0,0,0,0|3,0,0]=4 2920 B12R1.69 COCSc1ccc(cc1N)C 62a_100000766300_100011216686 [0,1,0,0,0,0|3,0,0]=4 2921 B12R1.69 COCSc1ccc(cc1N)C 62a_100011216686_100000766300 [0,1,0,0,0,0|3,0,0]=4 2922 B12R1.69 COCSc1ccc(cc1N)Cl 62a_100000761886_100000766300 [0,1,0,0,0,0|3,0,0]=4 2923 B12R1.69 COCSc1ccc(cc1N)Cl 62a_100000766300_100000761886 [0,1,0,0,0,0|3,0,0]=4 2924 B12R1.69 COCSc1ccc(cc1N)F 62a_100000687223_100000766300 [0,1,0,0,0,0|3,0,0]=4 2925 B12R1.69 COCSc1ccc(cc1N)F 62a_100000766300_100000687223 [0,1,0,0,0,0|3,0,0]=4 2926 B12R1.69 COCSc1ccc(cc1N)N 62a_100000766300_200012175722 [0,1,0,0,0,0|3,0,0]=4 2927 B12R1.69 COCSc1ccc(cc1N)N 62a_200012175722_100000766300 [0,1,0,0,0,0|3,0,0]=4 2928 B12R1.69 COCSc1ccc(cc1N)O 62a_100000766300_100011999798 [0,1,0,0,0,0|3,0,0]=4 2929 B12R1.69 COCSc1ccc(cc1N)O 62a_100011999798_100000766300 [0,1,0,0,0,0|3,0,0]=4 2930 B12R1.69 COCSc1ccc(cc1O)Br 62a_100000766300_100012344904 [0,1,0,0,0,0|3,0,0]=4 2931 B12R1.69 COCSc1ccc(cc1O)Br 62a_100012344904_100000766300 [0,1,0,0,0,0|3,0,0]=4 2932 B12R1.69 COCSc1ccc(cc1O)C 62a_100000766300_100012002257 [0,1,0,0,0,0|3,0,0]=4 2933 B12R1.69 COCSc1ccc(cc1O)C 62a_100012002257_100000766300 [0,1,0,0,0,0|3,0,0]=4 2934 B12R1.69 COCSc1ccc(cc1O)Cl 62a_100000050036_100000766300 [0,1,0,0,0,0|3,0,0]=4 2935 B12R1.69 COCSc1ccc(cc1O)Cl 62a_100000766300_100000050036 [0,1,0,0,0,0|3,0,0]=4 2936 B12R1.69 COCSc1ccc(cc1O)F 62a_100000690578_100000766300 [0,1,0,0,0,0|3,0,0]=4 2937 B12R1.69 COCSc1ccc(cc1O)F 62a_100000766300_100000690578 [0,1,0,0,0,0|3,0,0]=4 2938 B12R1.69 COCSc1ccc(cc1O)O 62a_100000766300_100009813921 [0,1,0,0,0,0|3,0,0]=4 2939 B12R1.69 COCSc1ccc(nc1Cl)Br 62a_100000766300_100010246183 [0,1,0,0,0,0|3,0,0]=4 2940 B12R1.69 COCSc1ccc(nc1Cl)Br 62a_100010246183_100000766300 [0,1,0,0,0,0|3,0,0]=4 2941 B12R1.69 COCSc1ccc(nc1Cl)Cl 62a_100000766300_100000043682 [0,1,0,0,0,0|3,0,0]=4 2942 B12R1.69 COCSc1ccc(nc1Cl)N 62a_100000766300_100010270343 [0,1,0,0,0,0|3,0,0]=4 2943 B12R1.69 COCSc1ccc(nc1Cl)N 62a_100010270343_100000766300 [0,1,0,0,0,0|3,0,0]=4 2944 B12R1.69 COCSc1cnc(cc1Cl)Br 62a_100000766300_100010381092 [0,1,0,0,0,0|3,0,0]=4 2945 B12R1.69 COCSc1cnc(cc1Cl)Br 62a_100010381092_100000766300 [0,1,0,0,0,0|3,0,0]=4 2946 B12R1.69 COCSc1cnc(cc1Cl)Cl 62a_100000766300_100010200927 [0,1,0,0,0,0|3,0,0]=4 2947 B12R1.69 COCSc1cnc(cc1Cl)Cl 62a_100010200927_100000766300 [0,1,0,0,0,0|3,0,0]=4 2948 B12R1.69 COCSc1cnc(cc1Cl)N 62a_100000694920_100000766300 [0,1,0,0,0,0|3,0,0]=4 2949 B12R1.69 COCSc1cnc(cc1Cl)N 62a_100000766300_100000694920 [0,1,0,0,0,0|3,0,0]=4 2950 B12R1.69 CSCCc1ccc(cc1Br)Cl 62a_200000210301_200012945151 [0,1,0,0,0,0|1,1,0]=3 2951 B12R1.69 CSCCc1ccc(cc1Br)Cl 62a_200012945151_200000210301 [0,1,0,0,0,0|1,1,0]=3 2952 B12R1.69 CSCCc1ccc(cc1Cl)Cl 62a_200000210301_200012161198 [0,1,0,0,0,0|1,0,0]=2 2953 B12R1.69 CSCCc1ccc(cc1Cl)Cl 62a_200012161198_200000210301 [0,1,0,0,0,0|1,0,0]=2 2954 B12R1.69 CSCNc1ccc(cc1Br)Br 34a_100000211012_100011218213 [0,1,0,0,0,0|2,1,0]=4 2955 B12R1.69 CSCNc1ccc(cc1Br)C 34a_100000210942_100011218213 [0,1,0,0,0,0|2,1,0]=4 2956 B12R1.69 CSCNc1ccc(cc1Br)Cl 34a_100000752454_100011218213 [0,1,0,0,0,0|2,1,0]=4 2957 B12R1.69 CSCNc1ccc(cc1Br)F 34a_100000738039_100011218213 [0,1,0,0,0,0|2,1,0]=4 2958 B12R1.69 CSCNc1ccc(cc1Br)O 34a_100012001276_100011218213 [0,1,0,0,0,0|2,1,0]=4 2959 B12R1.69 CSCNc1ccc(cc1C)Br 34a_100000211769_100011218213 [0,1,0,0,0,0|3,0,0]=4 2960 B12R1.69 CSCNc1ccc(cc1C)C 34a_100000736561_100011218213 [0,1,0,0,0,0|3,0,0]=4 2961 B12R1.69 CSCNc1ccc(cc1C)Cl 34a_100000210418_100011218213 [0,1,0,0,0,0|3,0,0]=4 2962 B12R1.69 CSCNc1ccc(cc1C)F 34a_100000211637_100011218213 [0,1,0,0,0,0|3,0,0]=4 2963 B12R1.69 CSCNc1ccc(cc1C)I 34a_100000184554_100011218213 [0,1,0,0,0,0|3,0,0]=4 2964 B12R1.69 CSCNc1ccc(cc1C)O 34a_100000756630_100011218213 [0,1,0,0,0,0|3,0,0]=4 2965 B12R1.69 CSCNc1ccc(cc1Cl)Br 34a_100000211467_100011218213 [0,1,0,0,0,0|2,0,0]=3 2966 B12R1.69 CSCNc1ccc(cc1Cl)C 34a_100000210522_100011218213 [0,1,0,0,0,0|2,0,0]=3 2967 B12R1.69 CSCNc1ccc(cc1Cl)Cl 34a_100000185861_100011218213 [0,1,0,0,0,0|2,0,0]=3 2968 B12R1.69 CSCNc1ccc(cc1Cl)F 34a_100000212003_100011218213 [0,1,0,0,0,0|2,0,0]=3 2969 B12R1.69 CSCNc1ccc(cc1Cl)I 34a_100011218065_100011218213 [0,1,0,0,0,0|2,0,0]=3 2970 B12R1.69 CSCNc1ccc(cc1Cl)O 34a_100011215599_100011218213 [0,1,0,0,0,0|2,0,0]=3 2971 B12R1.69 CSCNc1ccc(cc1F)Br 34a_100000210722_100011218213 [0,1,0,0,0,0|2,1,0]=4 2972 B12R1.69 CSCNc1ccc(cc1F)C 34a_100000211023_100011218213 [0,1,0,0,0,0|2,1,0]=4 2973 B12R1.69 CSCNc1ccc(cc1F)Cl 34a_100000211020_100011218213 [0,1,0,0,0,0|2,1,0]=4 2974 B12R1.69 CSCNc1ccc(cc1F)F 34a_100000210720_100011218213 [0,1,0,0,0,0|2,1,0]=4 2975 B12R1.69 CSCNc1ccc(cc1F)I 34a_100011215594_100011218213 [0,1,0,0,0,0|2,1,0]=4 2976 B12R1.69 CSCNc1ccc(cc1F)O 34a_100000759473_100011218213 [0,1,0,0,0,0|2,1,0]=4 2977 B12R1.69 CSCNc1ccc(cc1I)Br 34a_100000187925_100011218213 [0,1,0,0,0,0|2,1,0]=4 2978 B12R1.69 CSCNc1ccc(cc1I)C 34a_100011356834_100011218213 [0,1,0,0,0,0|2,1,0]=4 2979 B12R1.69 CSCNc1ccc(cc1I)Cl 34a_100000761889_100011218213 [0,1,0,0,0,0|2,1,0]=4 2980 B12R1.69 CSCNc1ccc(cc1I)F 34a_100000760547_100011218213 [0,1,0,0,0,0|2,1,0]=4 2981 B12R1.69 CSCNc1ccc(cc1I)O 34a_100010084370_100011218213 [0,1,0,0,0,0|2,1,0]=4 2982 B12R1.69 CSCNc1ccc(cc1O)Br 34a_100000739049_100011218213 [0,1,0,0,0,0|3,0,0]=4 2983 B12R1.69 CSCNc1ccc(cc1O)C 34a_100000211527_100011218213 [0,1,0,0,0,0|3,0,0]=4 2984 B12R1.69 CSCNc1ccc(cc1O)Cl 34a_100000185728_100011218213 [0,1,0,0,0,0|3,0,0]=4 2985 B12R1.69 CSCNc1ccc(cc1O)F 34a_100000753323_100011218213 [0,1,0,0,0,0|3,0,0]=4 2986 B12R1.69 CSCNc1ccc(cc1O)O 34a_100000106777_100011218213 [0,1,0,0,0,0|3,0,0]=4 2987 B12R1.69 CSCOc1ccc(cc1Br)Br 34a_100000188717_100011218213 [0,1,0,0,0,0|2,1,0]=4 2988 B12R1.69 CSCOc1ccc(cc1Br)C 34a_100000210800_100011218213 [0,1,0,0,0,0|2,1,0]=4 2989 B12R1.69 CSCOc1ccc(cc1Br)Cl 34a_100000211998_100011218213 [0,1,0,0,0,0|2,1,0]=4 2990 B12R1.69 CSCOc1ccc(cc1Br)F 34a_100000211999_100011218213 [0,1,0,0,0,0|2,1,0]=4 2991 B12R1.69 CSCOc1ccc(cc1Br)I 34a_100012361655_100011218213 [0,1,0,0,0,0|2,1,0]=4 2992 B12R1.69 CSCOc1ccc(cc1Br)N 34a_100011534360_100011218213 [0,1,0,0,0,0|2,1,0]=4 2993 B12R1.69 CSCOc1ccc(cc1C)Br 34a_100000186361_100011218213 [0,1,0,0,0,0|3,0,0]=4 2994 B12R1.69 CSCOc1ccc(cc1C)C 34a_100000211776_100011218213 [0,1,0,0,0,0|3,0,0]=4 2995 B12R1.69 CSCOc1ccc(cc1C)Cl 34a_100000211091_100011218213 [0,1,0,0,0,0|3,0,0]=4 2996 B12R1.69 CSCOc1ccc(cc1C)F 34a_100000764316_100011218213 [0,1,0,0,0,0|3,0,0]=4 2997 B12R1.69 CSCOc1ccc(cc1C)I 34a_100011218673_100011218213 [0,1,0,0,0,0|3,0,0]=4 2998 B12R1.69 CSCOc1ccc(cc1C)N 34a_100011218179_100011218213 [0,1,0,0,0,0|3,0,0]=4 2999 B12R1.69 CSCOc1ccc(cc1Cl)Br 34a_100000186472_100011218213 [0,1,0,0,0,0|2,0,0]=3 3000 B12R1.69 CSCOc1ccc(cc1Cl)C 34a_100000749699_100011218213 [0,1,0,0,0,0|2,0,0]=3 3001 B12R1.69 CSCOc1ccc(cc1Cl)Cl 34a_100015191787_100011218213 [0,1,0,0,0,0|2,0,0]=3 3002 B12R1.69 CSCOc1ccc(cc1Cl)F 34a_100000212004_100011218213 [0,1,0,0,0,0|2,0,0]=3 3003 B12R1.69 CSCOc1ccc(cc1Cl)I 34a_100012360047_100011218213 [0,1,0,0,0,0|2,0,0]=3 3004 B12R1.69 CSCOc1ccc(cc1Cl)N 34a_100000744943_100011218213 [0,1,0,0,0,0|2,0,0]=3 3005 B12R1.69 CSCOc1ccc(cc1F)Br 34a_100000185481_100011218213 [0,1,0,0,0,0|2,1,0]=4 3006 B12R1.69 CSCOc1ccc(cc1F)C 34a_100011216688_100011218213 [0,1,0,0,0,0|2,1,0]=4 3007 B12R1.69 CSCOc1ccc(cc1F)Cl 34a_100000230166_100011218213 [0,1,0,0,0,0|2,1,0]=4 3008 B12R1.69 CSCOc1ccc(cc1F)F 34a_100000230127_100011218213 [0,1,0,0,0,0|2,1,0]=4 3009 B12R1.69 CSCOc1ccc(cc1F)I 34a_100011356965_100011218213 [0,1,0,0,0,0|2,1,0]=4 3010 B12R1.69 CSCOc1ccc(cc1F)N 34a_100011220035_100011218213 [0,1,0,0,0,0|2,1,0]=4 3011 B12R1.69 CSCOc1ccc(cc1I)Br 34a_100012355227_100011218213 [0,1,0,0,0,0|2,1,0]=4 3012 B12R1.69 CSCOc1ccc(cc1I)C 34a_100000765521_100011218213 [0,1,0,0,0,0|2,1,0]=4 3013 B12R1.69 CSCOc1ccc(cc1I)Cl 34a_100011356953_100011218213 [0,1,0,0,0,0|2,1,0]=4 3014 B12R1.69 CSCOc1ccc(cc1I)F 34a_100012355409_100011218213 [0,1,0,0,0,0|2,1,0]=4 3015 B12R1.69 CSCOc1ccc(cc1N)Br 34a_100000752626_100011218213 [0,1,0,0,0,0|3,0,0]=4 3016 B12R1.69 CSCOc1ccc(cc1N)C 34a_100011215204_100011218213 [0,1,0,0,0,0|3,0,0]=4 3017 B12R1.69 CSCOc1ccc(cc1N)Cl 34a_100000210500_100011218213 [0,1,0,0,0,0|3,0,0]=4 3018 B12R1.69 CSCOc1ccc(cc1N)F 34a_100000759472_100011218213 [0,1,0,0,0,0|3,0,0]=4 3019 B12R1.69 CSCOc1ccc(cc1N)I 34a_100000753495_100011218213 [0,1,0,0,0,0|3,0,0]=4 3020 B12R1.69 CSCOc1ccc(cc1N)N 34a_100000725306_100011218213 [0,1,0,0,0,0|3,0,0]=4 3021 B12R1.69 CSCOc1ccc(nc1Cl)Br 34a_100010246206_100011218213 [0,1,0,0,0,0|3,0,0]=4 3022 B12R1.69 CSCOc1ccc(nc1Cl)C 34a_100000086286_100011218213 [0,1,0,0,0,0|3,0,0]=4 3023 B12R1.69 CSCOc1ccc(nc1Cl)Cl 34a_100000101165_100011218213 [0,1,0,0,0,0|3,0,0]=4 3024 B12R1.69 CSCOc1ccc(nc1Cl)I 34a_100000721234_100011218213 [0,1,0,0,0,0|3,0,0]=4 3025 B12R1.69 CSCOc1cnc(cc1Cl)Cl 34a_100009868576_100011218213 [0,1,0,0,0,0|3,0,0]=4 3026 B12R1.69 CSCOc1ncc(cc1Cl)Br 34a_100012339560_100011218213 [0,1,0,0,0,0|3,0,0]=4 3027 B12R1.69 CSCOc1ncc(cc1Cl)F 34a_100009847679_100011218213 [0,1,0,0,0,0|3,0,0]=4 3028 B12R1.69 CSCSc1ccc(cc1Br)Br 62a_100011218213_100011484698 [0,1,0,0,0,0|2,1,0]=4 3029 B12R1.69 CSCSc1ccc(cc1Br)Br 62a_100011484698_100011218213 [0,1,0,0,0,0|2,1,0]=4 3030 B12R1.69 CSCSc1ccc(cc1Br)C 62a_100009813563_100011218213 [0,1,0,0,0,0|2,1,0]=4 3031 B12R1.69 CSCSc1ccc(cc1Br)C 62a_100011218213_100009813563 [0,1,0,0,0,0|2,1,0]=4 3032 B12R1.69 CSCSc1ccc(cc1Br)Cl 62a_100011218213_100011219703 [0,1,0,0,0,0|2,1,0]=4 3033 B12R1.69 CSCSc1ccc(cc1Br)Cl 62a_100011219703_100011218213 [0,1,0,0,0,0|2,1,0]=4 3034 B12R1.69 CSCSc1ccc(cc1Br)F 62a_100011217111_100011218213 [0,1,0,0,0,0|2,1,0]=4 3035 B12R1.69 CSCSc1ccc(cc1Br)F 62a_100011218213_100011217111 [0,1,0,0,0,0|2,1,0]=4 3036 B12R1.69 CSCSc1ccc(cc1Br)N 62a_100000750458_100011218213 [0,1,0,0,0,0|2,1,0]=4 3037 B12R1.69 CSCSc1ccc(cc1Br)N 62a_100011218213_100000750458 [0,1,0,0,0,0|2,1,0]=4 3038 B12R1.69 CSCSc1ccc(cc1Br)O 62a_100000701344_100011218213 [0,1,0,0,0,0|2,1,0]=4 3039 B12R1.69 CSCSc1ccc(cc1Br)O 62a_100011218213_100000701344 [0,1,0,0,0,0|2,1,0]=4 3040 B12R1.69 CSCSc1ccc(cc1C)Br 62a_100000701812_100011218213 [0,1,0,0,0,0|3,0,0]=4 3041 B12R1.69 CSCSc1ccc(cc1C)Br 62a_100011218213_100000701812 [0,1,0,0,0,0|3,0,0]=4 3042 B12R1.69 CSCSc1ccc(cc1C)C 62a_100011217332_100011218213 [0,1,0,0,0,0|3,0,0]=4 3043 B12R1.69 CSCSc1ccc(cc1C)C 62a_100011218213_100011217332 [0,1,0,0,0,0|3,0,0]=4 3044 B12R1.69 CSCSc1ccc(cc1C)Cl 62a_100011218213_100011219607 [0,1,0,0,0,0|3,0,0]=4 3045 B12R1.69 CSCSc1ccc(cc1C)Cl 62a_100011219607_100011218213 [0,1,0,0,0,0|3,0,0]=4 3046 B12R1.69 CSCSc1ccc(cc1C)F 62a_100011205405_100011218213 [0,1,0,0,0,0|3,0,0]=4 3047 B12R1.69 CSCSc1ccc(cc1C)F 62a_100011218213_100011205405 [0,1,0,0,0,0|3,0,0]=4 3048 B12R1.69 CSCSc1ccc(cc1C)N 62a_100000210723_100011218213 [0,1,0,0,0,0|3,0,0]=4 3049 B12R1.69 CSCSc1ccc(cc1C)N 62a_100011218213_100000210723 [0,1,0,0,0,0|3,0,0]=4 3050 B12R1.69 CSCSc1ccc(cc1C)O 62a_100011218213_100000690111 [0,1,0,0,0,0|3,0,0]=4 3051 B12R1.69 CSCSc1ccc(cc1Cl)Br 62a_100011216062_100011218213 [0,1,0,0,0,0|2,0,0]=3 3052 B12R1.69 CSCSc1ccc(cc1Cl)Br 62a_100011218213_100011216062 [0,1,0,0,0,0|2,0,0]=3 3053 B12R1.69 CSCSc1ccc(cc1Cl)C 62a_100011218213_100011263221 [0,1,0,0,0,0|2,0,0]=3 3054 B12R1.69 CSCSc1ccc(cc1Cl)C 62a_100011263221_100011218213 [0,1,0,0,0,0|2,0,0]=3 3055 B12R1.69 CSCSc1ccc(cc1Cl)Cl 62a_100000699841_100011218213 [0,1,0,0,0,0|2,0,0]=3 3056 B12R1.69 CSCSc1ccc(cc1Cl)Cl 62a_100011218213_100000699841 [0,1,0,0,0,0|2,0,0]=3 3057 B12R1.69 CSCSc1ccc(cc1Cl)F 62a_100000733362_100011218213 [0,1,0,0,0,0|2,0,0]=3 3058 B12R1.69 CSCSc1ccc(cc1Cl)F 62a_100011218213_100000733362 [0,1,0,0,0,0|2,0,0]=3 3059 B12R1.69 CSCSc1ccc(cc1Cl)N 62a_100000761885_100011218213 [0,1,0,0,0,0|2,0,0]=3 3060 B12R1.69 CSCSc1ccc(cc1Cl)N 62a_100011218213_100000761885 [0,1,0,0,0,0|2,0,0]=3 3061 B12R1.69 CSCSc1ccc(cc1Cl)O 62a_100000047559_100011218213 [0,1,0,0,0,0|2,0,0]=3 3062 B12R1.69 CSCSc1ccc(cc1Cl)O 62a_100011218213_100000047559 [0,1,0,0,0,0|2,0,0]=3 3063 B12R1.69 CSCSc1ccc(cc1F)Br 62a_100009814013_100011218213 [0,1,0,0,0,0|2,1,0]=4 3064 B12R1.69 CSCSc1ccc(cc1F)Br 62a_100011218213_100009814013 [0,1,0,0,0,0|2,1,0]=4 3065 B12R1.69 CSCSc1ccc(cc1F)C 62a_100011216119_100011218213 [0,1,0,0,0,0|2,1,0]=4 3066 B12R1.69 CSCSc1ccc(cc1F)C 62a_100011218213_100011216119 [0,1,0,0,0,0|2,1,0]=4 3067 B12R1.69 CSCSc1ccc(cc1F)Cl 62a_100011216042_100011218213 [0,1,0,0,0,0|2,1,0]=4 3068 B12R1.69 CSCSc1ccc(cc1F)Cl 62a_100011218213_100011216042 [0,1,0,0,0,0|2,1,0]=4 3069 B12R1.69 CSCSc1ccc(cc1F)F 62a_100000750030_100011218213 [0,1,0,0,0,0|2,1,0]=4 3070 B12R1.69 CSCSc1ccc(cc1F)F 62a_100011218213_100000750030 [0,1,0,0,0,0|2,1,0]=4 3071 B12R1.69 CSCSc1ccc(cc1F)N 62a_100011218213_100011356925 [0,1,0,0,0,0|2,1,0]=4 3072 B12R1.69 CSCSc1ccc(cc1F)N 62a_100011356925_100011218213 [0,1,0,0,0,0|2,1,0]=4 3073 B12R1.69 CSCSc1ccc(cc1F)O 62a_100000755031_100011218213 [0,1,0,0,0,0|2,1,0]=4 3074 B12R1.69 CSCSc1ccc(cc1F)O 62a_100011218213_100000755031 [0,1,0,0,0,0|2,1,0]=4 3075 B12R1.69 CSCSc1ccc(cc1N)Br 62a_100000743836_100011218213 [0,1,0,0,0,0|3,0,0]=4 3076 B12R1.69 CSCSc1ccc(cc1N)Br 62a_100011218213_100000743836 [0,1,0,0,0,0|3,0,0]=4 3077 B12R1.69 CSCSc1ccc(cc1N)C 62a_100011216686_100011218213 [0,1,0,0,0,0|3,0,0]=4 3078 B12R1.69 CSCSc1ccc(cc1N)C 62a_100011218213_100011216686 [0,1,0,0,0,0|3,0,0]=4 3079 B12R1.69 CSCSc1ccc(cc1N)Cl 62a_100000761886_100011218213 [0,1,0,0,0,0|3,0,0]=4 3080 B12R1.69 CSCSc1ccc(cc1N)Cl 62a_100011218213_100000761886 [0,1,0,0,0,0|3,0,0]=4 3081 B12R1.69 CSCSc1ccc(cc1N)F 62a_100000687223_100011218213 [0,1,0,0,0,0|3,0,0]=4 3082 B12R1.69 CSCSc1ccc(cc1N)F 62a_100011218213_100000687223 [0,1,0,0,0,0|3,0,0]=4 3083 B12R1.69 CSCSc1ccc(cc1N)N 62a_100011218213_200012175722 [0,1,0,0,0,0|3,0,0]=4 3084 B12R1.69 CSCSc1ccc(cc1N)N 62a_200012175722_100011218213 [0,1,0,0,0,0|3,0,0]=4 3085 B12R1.69 CSCSc1ccc(cc1N)O 62a_100011218213_100011999798 [0,1,0,0,0,0|3,0,0]=4 3086 B12R1.69 CSCSc1ccc(cc1N)O 62a_100011999798_100011218213 [0,1,0,0,0,0|3,0,0]=4 3087 B12R1.69 CSCSc1ccc(cc1O)Br 62a_100011218213_100012344904 [0,1,0,0,0,0|3,0,0]=4 3088 B12R1.69 CSCSc1ccc(cc1O)Br 62a_100012344904_100011218213 [0,1,0,0,0,0|3,0,0]=4 3089 B12R1.69 CSCSc1ccc(cc1O)C 62a_100011218213_100012002257 [0,1,0,0,0,0|3,0,0]=4 3090 B12R1.69 CSCSc1ccc(cc1O)C 62a_100012002257_100011218213 [0,1,0,0,0,0|3,0,0]=4 3091 B12R1.69 CSCSc1ccc(cc1O)Cl 62a_100000050036_100011218213 [0,1,0,0,0,0|3,0,0]=4 3092 B12R1.69 CSCSc1ccc(cc1O)Cl 62a_100011218213_100000050036 [0,1,0,0,0,0|3,0,0]=4 3093 B12R1.69 CSCSc1ccc(cc1O)F 62a_100000690578_100011218213 [0,1,0,0,0,0|3,0,0]=4 3094 B12R1.69 CSCSc1ccc(cc1O)F 62a_100011218213_100000690578 [0,1,0,0,0,0|3,0,0]=4 3095 B12R1.69 CSCSc1ccc(cc1O)O 62a_100011218213_100009813921 [0,1,0,0,0,0|3,0,0]=4 3096 B12R1.69 CSCSc1ccc(nc1Cl)Br 62a_100010246183_100011218213 [0,1,0,0,0,0|3,0,0]=4 3097 B12R1.69 CSCSc1ccc(nc1Cl)Br 62a_100011218213_100010246183 [0,1,0,0,0,0|3,0,0]=4 3098 B12R1.69 CSCSc1ccc(nc1Cl)Cl 62a_100011218213_100000043682 [0,1,0,0,0,0|3,0,0]=4 3099 B12R1.69 CSCSc1ccc(nc1Cl)N 62a_100010270343_100011218213 [0,1,0,0,0,0|3,0,0]=4 3100 B12R1.69 CSCSc1ccc(nc1Cl)N 62a_100011218213_100010270343 [0,1,0,0,0,0|3,0,0]=4 3101 B12R1.69 CSCSc1cnc(cc1Cl)Br 62a_100010381092_100011218213 [0,1,0,0,0,0|3,0,0]=4 3102 B12R1.69 CSCSc1cnc(cc1Cl)Br 62a_100011218213_100010381092 [0,1,0,0,0,0|3,0,0]=4 3103 B12R1.69 CSCSc1cnc(cc1Cl)Cl 62a_100010200927_100011218213 [0,1,0,0,0,0|3,0,0]=4 3104 B12R1.69 CSCSc1cnc(cc1Cl)Cl 62a_100011218213_100010200927 [0,1,0,0,0,0|3,0,0]=4 3105 B12R1.69 CSCSc1cnc(cc1Cl)N 62a_100000694920_100011218213 [0,1,0,0,0,0|3,0,0]=4 3106 B12R1.69 CSCSc1cnc(cc1Cl)N 62a_100011218213_100000694920 [0,1,0,0,0,0|3,0,0]=4 3107 B12R1.69 Cc1ccc(c(c1)C)CCN[13CH3] 2230a_100000745621_200025704644 [0,1,0,0,0,0|1,0,0]=2 3108 B12R1.69 Cc1ccc(c(c1)C)CCN[13CH3] 34a_100000745621_200025704644 [0,1,0,0,0,0|1,0,0]=2 3109 B12R1.69 Cc1ccc(c(c1)Cl)CNCF 34a_100011997539_100015361967 [0,1,0,0,0,0|3,0,0]=4 3110 B12R1.69 Cc1ccc(c(c1)Cl)COCF 34a_100000720314_100015361967 [0,1,0,0,0,0|3,0,0]=4 3111 B12R1.69 Cc1ccc(c(c1)Cl)COCF 7a_100000720314_100015361967 [0,1,0,0,0,0|3,0,0]=4 3112 B12R1.69 Cc1ccc(c(c1)Cl)CSCF 62a_100012349684_100015361967 [0,1,0,0,0,0|3,0,0]=4 3113 B12R1.69 Cc1ccc(c(c1)Cl)CSCF 62a_100015361967_100012349684 [0,1,0,0,0,0|3,0,0]=4 3114 B12R1.69 Cc1ccc(c(c1)Cl)NCC=O 34a_100000210522_200009817547 [0,1,0,0,0,0|3,0,0]=4 3115 B12R1.69 Cc1ccc(c(c1)Cl)NCCF 34a_100000210522_100011217306 [0,1,0,0,0,0|3,0,0]=4 3116 B12R1.69 Cc1ccc(c(c1)Cl)NCCO 34a_100000210522_100000211926 [0,1,0,0,0,0|3,0,0]=4 3117 B12R1.69 Cc1ccc(c(c1)Cl)OCC#N 7a_100000749699_100011215382 [0,1,0,0,0,0|3,0,0]=4 3118 B12R1.69 Cc1ccc(c(c1)Cl)OCC=O 34a_100000749699_200009817547 [0,1,0,0,0,0|3,0,0]=4 3119 B12R1.69 Cc1ccc(c(c1)Cl)OCC=O 7a_100000749699_200015260668 [0,1,0,0,0,0|3,0,0]=4 3120 B12R1.69 Cc1ccc(c(c1)Cl)OCCF 34a_100000749699_100011217306 [0,1,0,0,0,0|3,0,0]=4 3121 B12R1.69 Cc1ccc(c(c1)Cl)OCCF 7a_100000749699_100011217306 [0,1,0,0,0,0|3,0,0]=4 3122 B12R1.69 Cc1ccc(c(c1)Cl)OCCO 34a_100000749699_100000211926 [0,1,0,0,0,0|3,0,0]=4 3123 B12R1.69 Cc1ccc(c(c1)Cl)OCCO 7a_100000749699_100000211926 [0,1,0,0,0,0|3,0,0]=4 3124 B12R1.69 Cc1ccc(c(c1)Cl)SCC#N 62a_100011215382_100011263221 [0,1,0,0,0,0|3,0,0]=4 3125 B12R1.69 Cc1ccc(c(c1)Cl)SCC#N 62a_100011263221_100011215382 [0,1,0,0,0,0|3,0,0]=4 3126 B12R1.69 Cc1ccc(c(c1)Cl)SCC=O 62a_100011263221_200015260668 [0,1,0,0,0,0|3,0,0]=4 3127 B12R1.69 Cc1ccc(c(c1)Cl)SCC=O 62a_200015260668_100011263221 [0,1,0,0,0,0|3,0,0]=4 3128 B12R1.69 Cc1ccc(c(c1)Cl)SCCF 62a_100011217306_100011263221 [0,1,0,0,0,0|3,0,0]=4 3129 B12R1.69 Cc1ccc(c(c1)Cl)SCCF 62a_100011263221_100011217306 [0,1,0,0,0,0|3,0,0]=4 3130 B12R1.69 Cc1ccc(c(c1)Cl)SCCO 62a_100000211926_100011263221 [0,1,0,0,0,0|3,0,0]=4 3131 B12R1.69 Cc1ccc(c(c1)Cl)SCCO 62a_100011263221_100000211926 [0,1,0,0,0,0|3,0,0]=4 3132 B12R1.69 FCCNc1ccc(cc1Cl)Br 34a_100000211467_100011217306 [0,1,0,0,0,0|3,0,0]=4 3133 B12R1.69 FCCNc1ccc(cc1Cl)Cl 34a_100000185861_100011217306 [0,1,0,0,0,0|3,0,0]=4 3134 B12R1.69 FCCNc1ccc(cc1Cl)F 34a_100000212003_100011217306 [0,1,0,0,0,0|3,0,0]=4 3135 B12R1.69 FCCNc1ccc(cc1Cl)I 34a_100011218065_100011217306 [0,1,0,0,0,0|3,0,0]=4 3136 B12R1.69 FCCOc1ccc(cc1Cl)Br 34a_100000186472_100011217306 [0,1,0,0,0,0|3,0,0]=4 3137 B12R1.69 FCCOc1ccc(cc1Cl)Br 7a_100000186472_100011217306 [0,1,0,0,0,0|3,0,0]=4 3138 B12R1.69 FCCOc1ccc(cc1Cl)Cl 34a_100015191787_100011217306 [0,1,0,0,0,0|3,0,0]=4 3139 B12R1.69 FCCOc1ccc(cc1Cl)Cl 7a_100015191787_100011217306 [0,1,0,0,0,0|3,0,0]=4 3140 B12R1.69 FCCOc1ccc(cc1Cl)F 34a_100000212004_100011217306 [0,1,0,0,0,0|3,0,0]=4 3141 B12R1.69 FCCOc1ccc(cc1Cl)F 7a_100000212004_100011217306 [0,1,0,0,0,0|3,0,0]=4 3142 B12R1.69 FCCOc1ccc(cc1Cl)I 34a_100012360047_100011217306 [0,1,0,0,0,0|3,0,0]=4 3143 B12R1.69 FCCOc1ccc(cc1Cl)I 7a_100012360047_100011217306 [0,1,0,0,0,0|3,0,0]=4 3144 B12R1.69 FCCSc1ccc(cc1Cl)Br 62a_100011216062_100011217306 [0,1,0,0,0,0|3,0,0]=4 3145 B12R1.69 FCCSc1ccc(cc1Cl)Br 62a_100011217306_100011216062 [0,1,0,0,0,0|3,0,0]=4 3146 B12R1.69 FCCSc1ccc(cc1Cl)Cl 62a_100000699841_100011217306 [0,1,0,0,0,0|3,0,0]=4 3147 B12R1.69 FCCSc1ccc(cc1Cl)Cl 62a_100011217306_100000699841 [0,1,0,0,0,0|3,0,0]=4 3148 B12R1.69 FCCSc1ccc(cc1Cl)F 62a_100000733362_100011217306 [0,1,0,0,0,0|3,0,0]=4 3149 B12R1.69 FCCSc1ccc(cc1Cl)F 62a_100011217306_100000733362 [0,1,0,0,0,0|3,0,0]=4 3150 B12R1.69 FCNCc1ccc(cc1Cl)Br 34a_100020628970_100015361967 [0,1,0,0,0,0|3,0,0]=4 3151 B12R1.69 FCNCc1ccc(cc1Cl)Cl 34a_100000174880_100015361967 [0,1,0,0,0,0|3,0,0]=4 3152 B12R1.69 FCNCc1ccc(cc1Cl)F 34a_100000174946_100015361967 [0,1,0,0,0,0|3,0,0]=4 3153 B12R1.69 FCOCc1ccc(cc1Cl)Br 34a_100000756401_100015361967 [0,1,0,0,0,0|3,0,0]=4 3154 B12R1.69 FCOCc1ccc(cc1Cl)Br 7a_100000756401_100015361967 [0,1,0,0,0,0|3,0,0]=4 3155 B12R1.69 FCOCc1ccc(cc1Cl)Cl 34a_100000215721_100015361967 [0,1,0,0,0,0|3,0,0]=4 3156 B12R1.69 FCOCc1ccc(cc1Cl)Cl 7a_100000215721_100015361967 [0,1,0,0,0,0|3,0,0]=4 3157 B12R1.69 FCOCc1ccc(cc1Cl)F 34a_100011219954_100015361967 [0,1,0,0,0,0|3,0,0]=4 3158 B12R1.69 FCOCc1ccc(cc1Cl)F 7a_100011219954_100015361967 [0,1,0,0,0,0|3,0,0]=4 3159 B12R1.69 FCSCc1ccc(cc1Cl)Br 62a_100011740631_100015361967 [0,1,0,0,0,0|3,0,0]=4 3160 B12R1.69 FCSCc1ccc(cc1Cl)Br 62a_100015361967_100011740631 [0,1,0,0,0,0|3,0,0]=4 3161 B12R1.69 FCSCc1ccc(cc1Cl)Cl 62a_100000188473_100015361967 [0,1,0,0,0,0|3,0,0]=4 3162 B12R1.69 FCSCc1ccc(cc1Cl)Cl 62a_100015361967_100000188473 [0,1,0,0,0,0|3,0,0]=4 3163 B12R1.69 FCSCc1ccc(cc1Cl)F 62a_100000187853_100015361967 [0,1,0,0,0,0|3,0,0]=4 3164 B12R1.69 FCSCc1ccc(cc1Cl)F 62a_100015361967_100000187853 [0,1,0,0,0,0|3,0,0]=4 3165 B12R1.69 N#CCOc1ccc(cc1Cl)Br 7a_100000186472_100011215382 [0,1,0,0,0,0|3,0,0]=4 3166 B12R1.69 N#CCOc1ccc(cc1Cl)Cl 7a_100015191787_100011215382 [0,1,0,0,0,0|3,0,0]=4 3167 B12R1.69 N#CCOc1ccc(cc1Cl)F 7a_100000212004_100011215382 [0,1,0,0,0,0|3,0,0]=4 3168 B12R1.69 N#CCOc1ccc(cc1Cl)I 7a_100012360047_100011215382 [0,1,0,0,0,0|3,0,0]=4 3169 B12R1.69 N#CCOc1ccc(cc1Cl)N 7a_100000744943_100011215382 [0,1,0,0,0,0|3,0,0]=4 3170 B12R1.69 N#CCSc1ccc(cc1Cl)Br 62a_100011215382_100011216062 [0,1,0,0,0,0|3,0,0]=4 3171 B12R1.69 N#CCSc1ccc(cc1Cl)Br 62a_100011216062_100011215382 [0,1,0,0,0,0|3,0,0]=4 3172 B12R1.69 N#CCSc1ccc(cc1Cl)Cl 62a_100000699841_100011215382 [0,1,0,0,0,0|3,0,0]=4 3173 B12R1.69 N#CCSc1ccc(cc1Cl)Cl 62a_100011215382_100000699841 [0,1,0,0,0,0|3,0,0]=4 3174 B12R1.69 N#CCSc1ccc(cc1Cl)F 62a_100000733362_100011215382 [0,1,0,0,0,0|3,0,0]=4 3175 B12R1.69 N#CCSc1ccc(cc1Cl)F 62a_100011215382_100000733362 [0,1,0,0,0,0|3,0,0]=4 3176 B12R1.69 N#CCSc1ccc(cc1Cl)N 62a_100000761885_100011215382 [0,1,0,0,0,0|3,0,0]=4 3177 B12R1.69 N#CCSc1ccc(cc1Cl)N 62a_100011215382_100000761885 [0,1,0,0,0,0|3,0,0]=4 3178 B12R1.69 N#CCSc1ccc(cc1Cl)O 62a_100000047559_100011215382 [0,1,0,0,0,0|3,0,0]=4 3179 B12R1.69 N#CCSc1ccc(cc1Cl)O 62a_100011215382_100000047559 [0,1,0,0,0,0|3,0,0]=4 3180 B12R1.69 Nc1ccc(c(c1)Cl)COCF 34a_100000689119_100015361967 [0,1,0,0,0,0|3,0,0]=4 3181 B12R1.69 Nc1ccc(c(c1)Cl)OCC=O 34a_100000744943_200009817547 [0,1,0,0,0,0|3,0,0]=4 3182 B12R1.69 Nc1ccc(c(c1)Cl)OCC=O 7a_100000744943_200015260668 [0,1,0,0,0,0|3,0,0]=4 3183 B12R1.69 Nc1ccc(c(c1)Cl)OCCF 34a_100000744943_100011217306 [0,1,0,0,0,0|3,0,0]=4 3184 B12R1.69 Nc1ccc(c(c1)Cl)OCCF 7a_100000744943_100011217306 [0,1,0,0,0,0|3,0,0]=4 3185 B12R1.69 Nc1ccc(c(c1)Cl)OCCO 34a_100000744943_100000211926 [0,1,0,0,0,0|3,0,0]=4 3186 B12R1.69 Nc1ccc(c(c1)Cl)OCCO 7a_100000744943_100000211926 [0,1,0,0,0,0|3,0,0]=4 3187 B12R1.69 Nc1ccc(c(c1)Cl)SCC=O 62a_100000761885_200015260668 [0,1,0,0,0,0|3,0,0]=4 3188 B12R1.69 Nc1ccc(c(c1)Cl)SCC=O 62a_200015260668_100000761885 [0,1,0,0,0,0|3,0,0]=4 3189 B12R1.69 Nc1ccc(c(c1)Cl)SCCF 62a_100000761885_100011217306 [0,1,0,0,0,0|3,0,0]=4 3190 B12R1.69 Nc1ccc(c(c1)Cl)SCCF 62a_100011217306_100000761885 [0,1,0,0,0,0|3,0,0]=4 3191 B12R1.69 Nc1ccc(c(c1)Cl)SCCO 62a_100000211926_100000761885 [0,1,0,0,0,0|3,0,0]=4 3192 B12R1.69 Nc1ccc(c(c1)Cl)SCCO 62a_100000761885_100000211926 [0,1,0,0,0,0|3,0,0]=4 3193 B12R1.69 O=CCNc1ccc(cc1Cl)Br 34a_100000211467_200009817547 [0,1,0,0,0,0|3,0,0]=4 3194 B12R1.69 O=CCNc1ccc(cc1Cl)Cl 34a_100000185861_200009817547 [0,1,0,0,0,0|3,0,0]=4 3195 B12R1.69 O=CCNc1ccc(cc1Cl)F 34a_100000212003_200009817547 [0,1,0,0,0,0|3,0,0]=4 3196 B12R1.69 O=CCNc1ccc(cc1Cl)I 34a_100011218065_200009817547 [0,1,0,0,0,0|3,0,0]=4 3197 B12R1.69 O=CCNc1ccc(cc1Cl)O 34a_100011215599_200009817547 [0,1,0,0,0,0|3,0,0]=4 3198 B12R1.69 O=CCOc1ccc(cc1Cl)Br 34a_100000186472_200009817547 [0,1,0,0,0,0|3,0,0]=4 3199 B12R1.69 O=CCOc1ccc(cc1Cl)Br 7a_100000186472_200015260668 [0,1,0,0,0,0|3,0,0]=4 3200 B12R1.69 O=CCOc1ccc(cc1Cl)Cl 34a_100015191787_200009817547 [0,1,0,0,0,0|3,0,0]=4 3201 B12R1.69 O=CCOc1ccc(cc1Cl)Cl 7a_100015191787_200015260668 [0,1,0,0,0,0|3,0,0]=4 3202 B12R1.69 O=CCOc1ccc(cc1Cl)F 34a_100000212004_200009817547 [0,1,0,0,0,0|3,0,0]=4 3203 B12R1.69 O=CCOc1ccc(cc1Cl)F 7a_100000212004_200015260668 [0,1,0,0,0,0|3,0,0]=4 3204 B12R1.69 O=CCOc1ccc(cc1Cl)I 34a_100012360047_200009817547 [0,1,0,0,0,0|3,0,0]=4 3205 B12R1.69 O=CCOc1ccc(cc1Cl)I 7a_100012360047_200015260668 [0,1,0,0,0,0|3,0,0]=4 3206 B12R1.69 O=CCSc1ccc(cc1Cl)Br 62a_100011216062_200015260668 [0,1,0,0,0,0|3,0,0]=4 3207 B12R1.69 O=CCSc1ccc(cc1Cl)Br 62a_200015260668_100011216062 [0,1,0,0,0,0|3,0,0]=4 3208 B12R1.69 O=CCSc1ccc(cc1Cl)Cl 62a_100000699841_200015260668 [0,1,0,0,0,0|3,0,0]=4 3209 B12R1.69 O=CCSc1ccc(cc1Cl)Cl 62a_200015260668_100000699841 [0,1,0,0,0,0|3,0,0]=4 3210 B12R1.69 O=CCSc1ccc(cc1Cl)F 62a_100000733362_200015260668 [0,1,0,0,0,0|3,0,0]=4 3211 B12R1.69 O=CCSc1ccc(cc1Cl)F 62a_200015260668_100000733362 [0,1,0,0,0,0|3,0,0]=4 3212 B12R1.69 O=CCSc1ccc(cc1Cl)O 62a_100000047559_200015260668 [0,1,0,0,0,0|3,0,0]=4 3213 B12R1.69 O=CCSc1ccc(cc1Cl)O 62a_200015260668_100000047559 [0,1,0,0,0,0|3,0,0]=4 3214 B12R1.69 OCCNc1ccc(cc1Cl)Br 34a_100000211467_100000211926 [0,1,0,0,0,0|3,0,0]=4 3215 B12R1.69 OCCNc1ccc(cc1Cl)Cl 34a_100000185861_100000211926 [0,1,0,0,0,0|3,0,0]=4 3216 B12R1.69 OCCNc1ccc(cc1Cl)F 34a_100000212003_100000211926 [0,1,0,0,0,0|3,0,0]=4 3217 B12R1.69 OCCNc1ccc(cc1Cl)I 34a_100011218065_100000211926 [0,1,0,0,0,0|3,0,0]=4 3218 B12R1.69 OCCNc1ccc(cc1Cl)O 34a_100011215599_100000211926 [0,1,0,0,0,0|3,0,0]=4 3219 B12R1.69 OCCOc1ccc(cc1Cl)Br 34a_100000186472_100000211926 [0,1,0,0,0,0|3,0,0]=4 3220 B12R1.69 OCCOc1ccc(cc1Cl)Br 7a_100000186472_100000211926 [0,1,0,0,0,0|3,0,0]=4 3221 B12R1.69 OCCOc1ccc(cc1Cl)Cl 34a_100015191787_100000211926 [0,1,0,0,0,0|3,0,0]=4 3222 B12R1.69 OCCOc1ccc(cc1Cl)Cl 7a_100015191787_100000211926 [0,1,0,0,0,0|3,0,0]=4 3223 B12R1.69 OCCOc1ccc(cc1Cl)F 34a_100000212004_100000211926 [0,1,0,0,0,0|3,0,0]=4 3224 B12R1.69 OCCOc1ccc(cc1Cl)F 7a_100000212004_100000211926 [0,1,0,0,0,0|3,0,0]=4 3225 B12R1.69 OCCOc1ccc(cc1Cl)I 34a_100012360047_100000211926 [0,1,0,0,0,0|3,0,0]=4 3226 B12R1.69 OCCOc1ccc(cc1Cl)I 7a_100012360047_100000211926 [0,1,0,0,0,0|3,0,0]=4 3227 B12R1.69 OCCSc1ccc(cc1Cl)Br 62a_100000211926_100011216062 [0,1,0,0,0,0|3,0,0]=4 3228 B12R1.69 OCCSc1ccc(cc1Cl)Br 62a_100011216062_100000211926 [0,1,0,0,0,0|3,0,0]=4 3229 B12R1.69 OCCSc1ccc(cc1Cl)Cl 62a_100000211926_100000699841 [0,1,0,0,0,0|3,0,0]=4 3230 B12R1.69 OCCSc1ccc(cc1Cl)Cl 62a_100000699841_100000211926 [0,1,0,0,0,0|3,0,0]=4 3231 B12R1.69 OCCSc1ccc(cc1Cl)F 62a_100000211926_100000733362 [0,1,0,0,0,0|3,0,0]=4 3232 B12R1.69 OCCSc1ccc(cc1Cl)F 62a_100000733362_100000211926 [0,1,0,0,0,0|3,0,0]=4 3233 B12R1.69 OCCSc1ccc(cc1Cl)O 62a_100000047559_100000211926 [0,1,0,0,0,0|3,0,0]=4 3234 B12R1.69 OCCSc1ccc(cc1Cl)O 62a_100000211926_100000047559 [0,1,0,0,0,0|3,0,0]=4 3235 B12R1.69 Oc1ccc(c(c1)Cl)CNCF 34a_200161156549_100015361967 [0,1,0,0,0,0|3,0,0]=4 3236 B12R1.69 Oc1ccc(c(c1)Cl)NCCF 34a_100011215599_100011217306 [0,1,0,0,0,0|3,0,0]=4 3237 B12R1.69 Oc1ccc(c(c1)Cl)SCCF 62a_100000047559_100011217306 [0,1,0,0,0,0|3,0,0]=4 3238 B12R1.69 Oc1ccc(c(c1)Cl)SCCF 62a_100011217306_100000047559 [0,1,0,0,0,0|3,0,0]=4 3239 B12R1.69 [13CH3]NCCc1ccc(cc1Cl)Cl 2230a_100000210994_200025704644 [0,1,0,0,0,0|0,0,0]=1 3240 B12R1.69 [13CH3]NCCc1ccc(cc1Cl)Cl 34a_100000210994_200025704644 [0,1,0,0,0,0|0,0,0]=1 3241 B12R1.69 [13CH3]NCCc1ccc(cc1F)Cl 2230a_103496529009_200025704644 [0,1,0,0,0,0|0,1,0]=2 3242 B12R1.69 [13CH3]NCCc1ccc(cc1F)Cl 34a_103496529009_200025704644 [0,1,0,0,0,0|0,1,0]=2 3243 B12R1.69 [13CH3]NCCc1ccc(cc1F)F 2230a_100000754870_200025704644 [0,1,0,0,0,0|0,1,0]=2 3244 B12R1.69 [13CH3]NCCc1ccc(cc1F)F 34a_100000754870_200025704644 [0,1,0,0,0,0|0,1,0]=2 3245 B12R1.69 [13CH3]OCCc1ccc(cc1Cl)Br 34a_100013445822_200025704644 [0,1,0,0,0,0|1,0,0]=2 3246 B12R1.69 [13CH3]OCCc1ccc(cc1Cl)Br 7a_100013445822_200025704644 [0,1,0,0,0,0|1,0,0]=2 3247 B12R1.69 [13CH3]OCCc1ccc(cc1Cl)Cl 34a_100011215701_200025704644 [0,1,0,0,0,0|1,0,0]=2 3248 B12R1.69 [13CH3]OCCc1ccc(cc1Cl)Cl 7a_100011215701_200025704644 [0,1,0,0,0,0|1,0,0]=2 3249 B12R1.69 [13CH3]OCCc1ccc(cc1Cl)F 34a_100011962860_200025704644 [0,1,0,0,0,0|1,0,0]=2 3250 B12R1.69 [13CH3]OCCc1ccc(cc1Cl)F 7a_100011962860_200025704644 [0,1,0,0,0,0|1,0,0]=2 3251 B12R1.69 [13CH3]OCCc1ccc(cc1F)Br 34a_100011962869_200025704644 [0,1,0,0,0,0|1,1,0]=3 3252 B12R1.69 [13CH3]OCCc1ccc(cc1F)Br 7a_100011962869_200025704644 [0,1,0,0,0,0|1,1,0]=3 3253 B12R1.69 [13CH3]OCCc1ccc(cc1F)F 34a_100000697962_200025704644 [0,1,0,0,0,0|1,1,0]=3 3254 B12R1.69 [13CH3]OCCc1ccc(cc1F)F 7a_100000697962_200025704644 [0,1,0,0,0,0|1,1,0]=3 3255 B12R1.69 [13CH3]SCCc1ccc(cc1Br)Cl 62a_200012945151_200025704644 [0,1,0,0,0,0|1,1,0]=3 3256 B12R1.69 [13CH3]SCCc1ccc(cc1Br)Cl 62a_200025704644_200012945151 [0,1,0,0,0,0|1,1,0]=3 3257 B12R1.69 [13CH3]SCCc1ccc(cc1Cl)Cl 62a_200012161198_200025704644 [0,1,0,0,0,0|1,0,0]=2 3258 B12R1.69 [13CH3]SCCc1ccc(cc1Cl)Cl 62a_200025704644_200012161198 [0,1,0,0,0,0|1,0,0]=2 3259 B12R1.121 C#Cc1ccccc1CNCC 34a_100020634229_100000210202 [0,1,0,0,0,0|3,0,0]=4 3260 B12R1.121 C#Cc1ccccc1COCC 34a_100000054652_100000210202 [0,1,0,0,0,0|3,0,0]=4 3261 B12R1.121 C#Cc1ccccc1COCC 7a_100000054652_100000210202 [0,1,0,0,0,0|3,0,0]=4 3262 B12R1.121 C#Cc1ccccc1NCCC 34a_100011470550_100000210303 [0,1,0,0,0,0|3,0,0]=4 3263 B12R1.121 C#Cc1ccccc1NCSC 34a_100011470550_100011218213 [0,1,0,0,0,0|3,0,0]=4 3264 B12R1.121 C#Cc1ccccc1OCCC 34a_200011470546_100000210303 [0,1,0,0,0,0|3,0,0]=4 3265 B12R1.121 C#Cc1ccccc1OCCC 7a_200011470546_100000210303 [0,1,0,0,0,0|3,0,0]=4 3266 B12R1.121 C#Cc1ccccc1OCSC 34a_200011470546_100011218213 [0,1,0,0,0,0|3,0,0]=4 3267 B12R1.121 C=Cc1ccccc1CCC=O 271570a_100011290941_100011713448 [0,1,0,0,0,0|3,0,0]=4 3268 B12R1.121 C=Cc1ccccc1CCCO 271570a_100011290941_100000699526 [0,1,0,0,0,0|3,0,0]=4 3269 B12R1.121 C=Cc1ccccc1COCC 271570a_100011290941_200011493690 [0,1,0,0,0,0|3,0,0]=4 3270 B12R1.121 C=Cc1ccccc1COCC 34a_200010883148_100000210202 [0,1,0,0,0,0|3,0,0]=4 3271 B12R1.121 C=Cc1ccccc1COCC 7a_200010883148_100000210202 [0,1,0,0,0,0|3,0,0]=4 3272 B12R1.121 C=Cc1ccccc1CSCC 271570a_100011290941_200000173030 [0,1,0,0,0,0|3,0,0]=4 3273 B12R1.121 C=Cc1ccccc1NCCC 34a_100012022501_100000210303 [0,1,0,0,0,0|3,0,0]=4 3274 B12R1.121 C=Cc1ccccc1NCSC 34a_100012022501_100011218213 [0,1,0,0,0,0|3,0,0]=4 3275 B12R1.121 C=Cc1ccccc1OCCC 271570a_100011290941_100000174042 [0,1,0,0,0,0|3,0,0]=4 3276 B12R1.121 C=Cc1ccccc1OCOC 271570a_100011290941_200000230759 [0,1,0,0,0,0|3,0,0]=4 3277 B12R1.121 C=Cc1ccccc1SCCC 62a_100000210303_100011218376 [0,1,0,0,0,0|3,0,0]=4 3278 B12R1.121 C=Cc1ccccc1SCCC 62a_100011218376_100000210303 [0,1,0,0,0,0|3,0,0]=4 3279 B12R1.121 C=Cc1ccccc1SCOC 62a_100000766300_100011218376 [0,1,0,0,0,0|3,0,0]=4 3280 B12R1.121 C=Cc1ccccc1SCOC 62a_100011218376_100000766300 [0,1,0,0,0,0|3,0,0]=4 3281 B12R1.121 C=Cc1ccccc1SCSC 62a_100011218213_100011218376 [0,1,0,0,0,0|3,0,0]=4 3282 B12R1.121 C=Cc1ccccc1SCSC 62a_100011218376_100011218213 [0,1,0,0,0,0|3,0,0]=4 3283 B12R1.121 CCCCc1ccccc1C#N 271570a_100020621405_100000188569 [0,1,0,0,0,0|2,0,0]=3 3284 B12R1.121 CCCCc1ccccc1C=O 271570a_100020621405_100000211189 [0,1,0,0,0,0|2,0,0]=3 3285 B12R1.121 CCCCc1ccccc1CC 271570a_100020621405_100011215823 [0,1,0,0,0,0|2,0,0]=3 3286 B12R1.121 CCCCc1ccccc1CN 271570a_100020621405_100000689332 [0,1,0,0,0,0|2,0,0]=3 3287 B12R1.121 CCCCc1ccccc1CO 271570a_100020621405_100000187465 [0,1,0,0,0,0|2,0,0]=3 3288 B12R1.121 CCCCc1ccccc1NC 2230a_200011217597_200000210301 [0,1,0,0,0,0|2,0,0]=3 3289 B12R1.121 CCCCc1ccccc1NC 271570a_100020621405_100020606079 [0,1,0,0,0,0|2,0,0]=3 3290 B12R1.121 CCCCc1ccccc1NC 34a_200011217597_200000210301 [0,1,0,0,0,0|2,0,0]=3 3291 B12R1.121 CCCCc1ccccc1NC 7a_200011217597_200000210301 [0,1,0,0,0,0|2,0,0]=3 3292 B12R1.121 CCCCc1ccccc1NN 271570a_100020621405_100000241748 [0,1,0,0,0,0|2,0,0]=3 3293 B12R1.121 CCCCc1ccccc1N[13CH3] 2230a_200011217597_200025704644 [0,1,0,0,0,0|2,0,0]=3 3294 B12R1.121 CCCCc1ccccc1N[13CH3] 34a_200011217597_200025704644 [0,1,0,0,0,0|2,0,0]=3 3295 B12R1.121 CCCCc1ccccc1N[13CH3] 7a_200011217597_200025704644 [0,1,0,0,0,0|2,0,0]=3 3296 B12R1.121 CCCCc1ccccc1OC 271570a_100020621405_100000174000 [0,1,0,0,0,0|2,0,0]=3 3297 B12R1.121 CCCCc1ccccc1SC 271570a_100020621405_100011217816 [0,1,0,0,0,0|2,0,0]=3 3298 B12R1.121 CCCCc1cccnc1C#N 271570a_100020621405_100000685805 [0,1,0,0,0,0|3,0,0]=4 3299 B12R1.121 CCCCc1cccnc1C=O 271570a_100020621405_100011934733 [0,1,0,0,0,0|3,0,0]=4 3300 B12R1.121 CCCCc1cccnc1CC 271570a_100020621405_100009877225 [0,1,0,0,0,0|3,0,0]=4 3301 B12R1.121 CCCCc1cccnc1CN 271570a_100020621405_100020591323 [0,1,0,0,0,0|3,0,0]=4 3302 B12R1.121 CCCCc1cccnc1CO 271570a_100020621405_100011996772 [0,1,0,0,0,0|3,0,0]=4 3303 B12R1.121 CCCCc1cccnc1NC 271570a_100020621405_100000700899 [0,1,0,0,0,0|3,0,0]=4 3304 B12R1.121 CCCCc1cccnc1NN 271570a_100020621405_100011464834 [0,1,0,0,0,0|3,0,0]=4 3305 B12R1.121 CCCCc1cccnc1OC 271570a_100020621405_100000047025 [0,1,0,0,0,0|3,0,0]=4 3306 B12R1.121 CCCCc1cccnc1SC 271570a_100020621405_100011465278 [0,1,0,0,0,0|3,0,0]=4 3307 B12R1.121 CCCCc1ccncc1C#N 271570a_100020621405_100000687039 [0,1,0,0,0,0|3,0,0]=4 3308 B12R1.121 CCCCc1ccncc1C=O 271570a_100020621405_100000050567 [0,1,0,0,0,0|3,0,0]=4 3309 B12R1.121 CCCCc1ccncc1CC 271570a_100020621405_100025704421 [0,1,0,0,0,0|3,0,0]=4 3310 B12R1.121 CCCCc1ccncc1CO 271570a_100020621405_100000117392 [0,1,0,0,0,0|3,0,0]=4 3311 B12R1.121 CCCCc1ccncc1OC 271570a_100020621405_100016988167 [0,1,0,0,0,0|3,0,0]=4 3312 B12R1.121 CCCCc1cnccc1C#N 271570a_100020621405_100000684818 [0,1,0,0,0,0|3,0,0]=4 3313 B12R1.121 CCCCc1cnccc1C=O 271570a_100020621405_100011934409 [0,1,0,0,0,0|3,0,0]=4 3314 B12R1.121 CCCCc1cnccc1CC 271570a_100020621405_100009819861 [0,1,0,0,0,0|3,0,0]=4 3315 B12R1.121 CCCCc1cnccc1CN 271570a_100020621405_100020640021 [0,1,0,0,0,0|3,0,0]=4 3316 B12R1.121 CCCCc1cnccc1CO 271570a_100020621405_100009873359 [0,1,0,0,0,0|3,0,0]=4 3317 B12R1.121 CCCCc1cnccc1NC 271570a_100020621405_100010069531 [0,1,0,0,0,0|3,0,0]=4 3318 B12R1.121 CCCCc1cnccc1NN 271570a_100020621405_100013404636 [0,1,0,0,0,0|3,0,0]=4 3319 B12R1.121 CCCCc1cnccc1OC 271570a_100020621405_100011997281 [0,1,0,0,0,0|3,0,0]=4 3320 B12R1.121 CCCCc1ncccc1C#N 271570a_100020621405_100000211984 [0,1,0,0,0,0|3,0,0]=4 3321 B12R1.121 CCCCc1ncccc1C=O 271570a_100020621405_100009816751 [0,1,0,0,0,0|3,0,0]=4 3322 B12R1.121 CCCCc1ncccc1CN 271570a_100020621405_100015189234 [0,1,0,0,0,0|3,0,0]=4 3323 B12R1.121 CCCCc1ncccc1CO 271570a_100020621405_100000748726 [0,1,0,0,0,0|3,0,0]=4 3324 B12R1.121 CCCCc1ncccc1NC 271570a_100020621405_200011806188 [0,1,0,0,0,0|3,0,0]=4 3325 B12R1.121 CCCCc1ncccc1OC 271570a_100020621405_100000690851 [0,1,0,0,0,0|3,0,0]=4 3326 B12R1.121 CCCNc1ccccc1C#N 34a_100000211148_100000210303 [0,1,0,0,0,0|3,0,0]=4 3327 B12R1.121 CCCNc1ccccc1CC 2230a_100000212081_100000210303 [0,1,0,0,0,0|3,0,0]=4 3328 B12R1.121 CCCNc1ccccc1CC 34a_100000212081_100000210303 [0,1,0,0,0,0|3,0,0]=4 3329 B12R1.121 CCCNc1ccccc1CC 7a_100000212081_100000210303 [0,1,0,0,0,0|3,0,0]=4 3330 B12R1.121 CCCNc1ccccc1CO 34a_100000212039_100000210303 [0,1,0,0,0,0|3,0,0]=4 3331 B12R1.121 CCCNc1ccccc1OC 34a_100000210025_100000210303 [0,1,0,0,0,0|3,0,0]=4 3332 B12R1.121 CCCNc1ccccc1SC 34a_100000211160_100000210303 [0,1,0,0,0,0|3,0,0]=4 3333 B12R1.121 CCCOc1ccccc1C#N 34a_100000211048_100000210303 [0,1,0,0,0,0|3,0,0]=4 3334 B12R1.121 CCCOc1ccccc1C#N 7a_100000211048_100000210303 [0,1,0,0,0,0|3,0,0]=4 3335 B12R1.121 CCCOc1ccccc1CC 34a_100000210936_100000210303 [0,1,0,0,0,0|3,0,0]=4 3336 B12R1.121 CCCOc1ccccc1CC 7a_100000210936_100000210303 [0,1,0,0,0,0|3,0,0]=4 3337 B12R1.121 CCCOc1ccccc1CN 34a_100000185550_100000210303 [0,1,0,0,0,0|3,0,0]=4 3338 B12R1.121 CCCOc1ccccc1CO 34a_100011216872_100000210303 [0,1,0,0,0,0|3,0,0]=4 3339 B12R1.121 CCCOc1ccccc1NC 27a_100102657272_100000174042 [0,1,0,0,0,0|3,0,0]=4 3340 B12R1.121 CCCOc1ccccc1NC 34a_100000033821_100000210303 [0,1,0,0,0,0|3,0,0]=4 3341 B12R1.121 CCCOc1ccccc1NC 34a_100000683936_200000210301 [0,1,0,0,0,0|3,0,0]=4 3342 B12R1.121 CCCOc1ccccc1N[13CH3] 34a_100000683936_200025704644 [0,1,0,0,0,0|3,0,0]=4 3343 B12R1.121 CCCOc1ccccc1OC 34a_100000180214_200000210301 [0,1,0,0,0,0|3,0,0]=4 3344 B12R1.121 CCCOc1ccccc1OC 34a_100000210385_100000210303 [0,1,0,0,0,0|3,0,0]=4 3345 B12R1.121 CCCOc1ccccc1OC 7a_100000180214_200000210301 [0,1,0,0,0,0|3,0,0]=4 3346 B12R1.121 CCCOc1ccccc1O[13CH3] 34a_100000180214_200025704644 [0,1,0,0,0,0|3,0,0]=4 3347 B12R1.121 CCCOc1ccccc1O[13CH3] 7a_100000180214_200025704644 [0,1,0,0,0,0|3,0,0]=4 3348 B12R1.121 CCCOc1ccccc1SC 34a_100011216402_100000210303 [0,1,0,0,0,0|3,0,0]=4 3349 B12R1.121 CCCOc1ccccc1SC 62a_100000174042_200000210301 [0,1,0,0,0,0|3,0,0]=4 3350 B12R1.121 CCCOc1ccccc1SC 62a_200000210301_100000174042 [0,1,0,0,0,0|3,0,0]=4 3351 B12R1.121 CCCOc1ccccc1S[13CH3] 62a_100000174042_200025704644 [0,1,0,0,0,0|3,0,0]=4 3352 B12R1.121 CCCOc1ccccc1S[13CH3] 62a_200025704644_100000174042 [0,1,0,0,0,0|3,0,0]=4 3353 B12R1.121 CCCSc1ccccc1C#N 62a_100000210303_100000188569 [0,1,0,0,0,0|3,0,0]=4 3354 B12R1.121 CCCSc1ccccc1C=O 62a_100000210073_100000210303 [0,1,0,0,0,0|3,0,0]=4 3355 B12R1.121 CCCSc1ccccc1C=O 62a_100000210303_100000210073 [0,1,0,0,0,0|3,0,0]=4 3356 B12R1.121 CCCSc1ccccc1CC 62a_100000210303_100011215823 [0,1,0,0,0,0|3,0,0]=4 3357 B12R1.121 CCCSc1ccccc1CC 62a_100011215823_100000210303 [0,1,0,0,0,0|3,0,0]=4 3358 B12R1.121 CCCSc1ccccc1CN 62a_100000210303_100000689332 [0,1,0,0,0,0|3,0,0]=4 3359 B12R1.121 CCCSc1ccccc1CN 62a_100000689332_100000210303 [0,1,0,0,0,0|3,0,0]=4 3360 B12R1.121 CCCSc1ccccc1CO 62a_100000187465_100000210303 [0,1,0,0,0,0|3,0,0]=4 3361 B12R1.121 CCCSc1ccccc1CO 62a_100000210303_100000187465 [0,1,0,0,0,0|3,0,0]=4 3362 B12R1.121 CCCSc1ccccc1NC 34a_100015184514_200000210301 [0,1,0,0,0,0|3,0,0]=4 3363 B12R1.121 CCCSc1ccccc1NC 62a_100000210303_100020606079 [0,1,0,0,0,0|3,0,0]=4 3364 B12R1.121 CCCSc1ccccc1NC 62a_100020606079_100000210303 [0,1,0,0,0,0|3,0,0]=4 3365 B12R1.121 CCCSc1ccccc1NC 7a_100015184514_200000210301 [0,1,0,0,0,0|3,0,0]=4 3366 B12R1.121 CCCSc1ccccc1NN 62a_100000210303_100000241748 [0,1,0,0,0,0|3,0,0]=4 3367 B12R1.121 CCCSc1ccccc1NN 62a_100000241748_100000210303 [0,1,0,0,0,0|3,0,0]=4 3368 B12R1.121 CCCSc1ccccc1N[13CH3] 34a_100015184514_200025704644 [0,1,0,0,0,0|3,0,0]=4 3369 B12R1.121 CCCSc1ccccc1N[13CH3] 7a_100015184514_200025704644 [0,1,0,0,0,0|3,0,0]=4 3370 B12R1.121 CCCSc1ccccc1OC 62a_100000210303_100000210334 [0,1,0,0,0,0|3,0,0]=4 3371 B12R1.121 CCCSc1ccccc1OC 62a_100000210334_100000210303 [0,1,0,0,0,0|3,0,0]=4 3372 B12R1.121 CCCSc1ccccc1SC 62a_100000210303_100011217816 [0,1,0,0,0,0|3,0,0]=4 3373 B12R1.121 CCCSc1ccccc1SC 62a_100011217816_100000210303 [0,1,0,0,0,0|3,0,0]=4 3374 B12R1.121 CCNCc1ccccc1C#N 2230a_100015525214_100000181865 [0,1,0,0,0,0|3,0,0]=4 3375 B12R1.121 CCNCc1ccccc1C#N 34a_100016989011_100000210202 [0,1,0,0,0,0|3,0,0]=4 3376 B12R1.121 CCNCc1ccccc1C=O 2230a_100015525214_200009853537 [0,1,0,0,0,0|3,0,0]=4 3377 B12R1.121 CCNCc1ccccc1CC 207a_100015525214_100011219594 [0,1,0,0,0,0|3,0,0]=4 3378 B12R1.121 CCNCc1ccccc1CC 270004a_100015525214_100011219594 [0,1,0,0,0,0|3,0,0]=4 3379 B12R1.121 CCNCc1ccccc1CO 2230a_100015525214_100009816955 [0,1,0,0,0,0|3,0,0]=4 3380 B12R1.121 CCNCc1ccccc1OC 207a_100015525214_100000169842 [0,1,0,0,0,0|3,0,0]=4 3381 B12R1.121 CCNCc1ccccc1OC 2230a_100015525214_100000210004 [0,1,0,0,0,0|3,0,0]=4 3382 B12R1.121 CCNCc1ccccc1OC 270004a_100015525214_100000169842 [0,1,0,0,0,0|3,0,0]=4 3383 B12R1.121 CCNCc1ccccc1OC 34a_100000188900_100000210202 [0,1,0,0,0,0|3,0,0]=4 3384 B12R1.121 CCNCc1ccccc1SC 207a_100015525214_100011217347 [0,1,0,0,0,0|3,0,0]=4 3385 B12R1.121 CCNCc1ccccc1SC 2230a_100015525214_100000699184 [0,1,0,0,0,0|3,0,0]=4 3386 B12R1.121 CCNCc1ccccc1SC 270004a_100015525214_100011217347 [0,1,0,0,0,0|3,0,0]=4 3387 B12R1.121 CCNCc1ccccc1SC 34a_102495365025_100000210202 [0,1,0,0,0,0|3,0,0]=4 3388 B12R1.121 CCOCc1ccccc1C#N 34a_100121572206_100000181865 [0,1,0,0,0,0|3,0,0]=4 3389 B12R1.121 CCOCc1ccccc1C#N 34a_200011269968_100000210202 [0,1,0,0,0,0|3,0,0]=4 3390 B12R1.121 CCOCc1ccccc1C#N 7a_200011269968_100000210202 [0,1,0,0,0,0|3,0,0]=4 3391 B12R1.121 CCOCc1ccccc1C=O 34a_100121572206_200009853537 [0,1,0,0,0,0|3,0,0]=4 3392 B12R1.121 CCOCc1ccccc1CBr 34a_100009816955_100000210202 [0,1,0,0,0,0|2,1,0]=4 3393 B12R1.121 CCOCc1ccccc1CBr 7a_100009816955_100000210202 [0,1,0,0,0,0|2,1,0]=4 3394 B12R1.121 CCOCc1ccccc1CC 34a_100011663872_100000210202 [0,1,0,0,0,0|3,0,0]=4 3395 B12R1.121 CCOCc1ccccc1CC 7a_100011663872_100000210202 [0,1,0,0,0,0|3,0,0]=4 3396 B12R1.121 CCOCc1ccccc1CN 34a_100000743596_100000210202 [0,1,0,0,0,0|3,0,0]=4 3397 B12R1.121 CCOCc1ccccc1CO 34a_100121572206_100009816955 [0,1,0,0,0,0|3,0,0]=4 3398 B12R1.121 CCOCc1ccccc1OC 34a_100000211301_100000210202 [0,1,0,0,0,0|3,0,0]=4 3399 B12R1.121 CCOCc1ccccc1OC 34a_100121572206_100000210004 [0,1,0,0,0,0|3,0,0]=4 3400 B12R1.121 CCOCc1ccccc1SC 34a_100000699167_100000210202 [0,1,0,0,0,0|3,0,0]=4 3401 B12R1.121 CCOCc1ccccc1SC 34a_100121572206_100000699184 [0,1,0,0,0,0|3,0,0]=4 3402 B12R1.121 CCOCc1ccccc1SC 62a_200000210301_200011493690 [0,1,0,0,0,0|3,0,0]=4 3403 B12R1.121 CCOCc1ccccc1SC 62a_200011493690_200000210301 [0,1,0,0,0,0|3,0,0]=4 3404 B12R1.121 CCOCc1ccccc1S[13CH3] 62a_200011493690_200025704644 [0,1,0,0,0,0|3,0,0]=4 3405 B12R1.121 CCOCc1ccccc1S[13CH3] 62a_200025704644_200011493690 [0,1,0,0,0,0|3,0,0]=4 3406 B12R1.121 CCSCc1ccccc1C#N 62a_100000186380_100000210202 [0,1,0,0,0,0|3,0,0]=4 3407 B12R1.121 CCSCc1ccccc1C#N 62a_100000210202_100000181865 [0,1,0,0,0,0|3,0,0]=4 3408 B12R1.121 CCSCc1ccccc1C=O 62a_100000210202_200009853537 [0,1,0,0,0,0|3,0,0]=4 3409 B12R1.121 CCSCc1ccccc1C=O 62a_200009853537_100000210202 [0,1,0,0,0,0|3,0,0]=4 3410 B12R1.121 CCSCc1ccccc1CO 62a_100000210202_100009816955 [0,1,0,0,0,0|3,0,0]=4 3411 B12R1.121 CCSCc1ccccc1CO 62a_100009816955_100000210202 [0,1,0,0,0,0|3,0,0]=4 3412 B12R1.121 CCSCc1ccccc1OC 62a_100000210004_100000210202 [0,1,0,0,0,0|3,0,0]=4 3413 B12R1.121 CCSCc1ccccc1OC 62a_100000210202_100000210004 [0,1,0,0,0,0|3,0,0]=4 3414 B12R1.121 CCSCc1ccccc1SC 62a_100000210202_100000699184 [0,1,0,0,0,0|3,0,0]=4 3415 B12R1.121 CCSCc1ccccc1SC 62a_100000699184_100000210202 [0,1,0,0,0,0|3,0,0]=4 3416 B12R1.121 CCSCc1ccccc1SC 62a_200000173030_200000210301 [0,1,0,0,0,0|3,0,0]=4 3417 B12R1.121 CCSCc1ccccc1SC 62a_200000210301_200000173030 [0,1,0,0,0,0|3,0,0]=4 3418 B12R1.121 CCSCc1ccccc1S[13CH3] 62a_200000173030_200025704644 [0,1,0,0,0,0|3,0,0]=4 3419 B12R1.121 CCSCc1ccccc1S[13CH3] 62a_200025704644_200000173030 [0,1,0,0,0,0|3,0,0]=4 3420 B12R1.121 CCc1ccccc1CCNC 2230a_100011663701_200000210301 [0,1,0,0,0,0|1,0,0]=2 3421 B12R1.121 CCc1ccccc1CCNC 34a_100011663701_200000210301 [0,1,0,0,0,0|1,0,0]=2 3422 B12R1.121 CCc1ccccc1CCN[13CH3] 2230a_100011663701_200025704644 [0,1,0,0,0,0|1,0,0]=2 3423 B12R1.121 CCc1ccccc1CCN[13CH3] 34a_100011663701_200025704644 [0,1,0,0,0,0|1,0,0]=2 3424 B12R1.121 CCc1ccccc1NCOC 2230a_100000212081_100000766300 [0,1,0,0,0,0|3,0,0]=4 3425 B12R1.121 CCc1ccccc1NCSC 2230a_100000212081_100011218213 [0,1,0,0,0,0|3,0,0]=4 3426 B12R1.121 CCc1ccccc1NCSC 34a_100000212081_100011218213 [0,1,0,0,0,0|3,0,0]=4 3427 B12R1.121 CCc1ccccc1OCSC 34a_100000210936_100011218213 [0,1,0,0,0,0|3,0,0]=4 3428 B12R1.121 CCc1ccccc1SCOC 62a_100000766300_100011215823 [0,1,0,0,0,0|3,0,0]=4 3429 B12R1.121 CCc1ccccc1SCOC 62a_100011215823_100000766300 [0,1,0,0,0,0|3,0,0]=4 3430 B12R1.121 CCc1ccccc1SCSC 62a_100011215823_100011218213 [0,1,0,0,0,0|3,0,0]=4 3431 B12R1.121 CCc1ccccc1SCSC 62a_100011218213_100011215823 [0,1,0,0,0,0|3,0,0]=4 3432 B12R1.121 CNCCc1ccccc1C#N 2230a_106832991635_200013032965 [0,1,0,0,0,0|1,0,0]=2 3433 B12R1.121 CNCCc1ccccc1C#N 34a_100102657272_200013032965 [0,1,0,0,0,0|1,0,0]=2 3434 B12R1.121 CNCCc1ccccc1C#N 7a_106832991635_200013032965 [0,1,0,0,0,0|1,0,0]=2 3435 B12R1.121 CNCCc1ccccc1C=O 2230a_106832991635_100010186698 [0,1,0,0,0,0|1,0,0]=2 3436 B12R1.121 CNCCc1ccccc1C=O 34a_100102657272_100010186698 [0,1,0,0,0,0|1,0,0]=2 3437 B12R1.121 CNCCc1ccccc1C=O 7a_106832991635_100010186698 [0,1,0,0,0,0|1,0,0]=2 3438 B12R1.121 CNCCc1ccccc1OC 2230a_100000211851_200000210301 [0,1,0,0,0,0|1,0,0]=2 3439 B12R1.121 CNCCc1ccccc1OC 2230a_106832991635_100011713687 [0,1,0,0,0,0|1,0,0]=2 3440 B12R1.121 CNCCc1ccccc1OC 270004a_106832991635_100011713418 [0,1,0,0,0,0|1,0,0]=2 3441 B12R1.121 CNCCc1ccccc1OC 34a_100000211851_200000210301 [0,1,0,0,0,0|1,0,0]=2 3442 B12R1.121 CNCCc1ccccc1OC 34a_100102657272_100011713687 [0,1,0,0,0,0|1,0,0]=2 3443 B12R1.121 CNCCc1ccccc1OC 7a_106832991635_100011713687 [0,1,0,0,0,0|1,0,0]=2 3444 B12R1.121 CNCCc1ccccc1[Pd]Cl 2230a_106741704370_200000210301 [0,1,0,0,0,0|0,0,0]=1 3445 B12R1.121 CNCCc1ccccc1[Pd]Cl 34a_106741704370_200000210301 [0,1,0,0,0,0|0,0,0]=1 3446 B12R1.121 CNCCc1ccccc1[Pd]Cl 7a_106741704370_200000210301 [0,1,0,0,0,0|0,0,0]=1 3447 B12R1.121 CNc1ccccc1OCSC 34a_100000033821_100011218213 [0,1,0,0,0,0|3,0,0]=4 3448 B12R1.121 CNc1ccccc1SCOC 62a_100000766300_100020606079 [0,1,0,0,0,0|3,0,0]=4 3449 B12R1.121 CNc1ccccc1SCOC 62a_100020606079_100000766300 [0,1,0,0,0,0|3,0,0]=4 3450 B12R1.121 CNc1ccccc1SCSC 62a_100011218213_100020606079 [0,1,0,0,0,0|3,0,0]=4 3451 B12R1.121 CNc1ccccc1SCSC 62a_100020606079_100011218213 [0,1,0,0,0,0|3,0,0]=4 3452 B12R1.121 COCCc1ccccc1C#N 34a_100138415774_200013032965 [0,1,0,0,0,0|2,0,0]=3 3453 B12R1.121 COCCc1ccccc1C=O 34a_100138415774_100010186698 [0,1,0,0,0,0|2,0,0]=3 3454 B12R1.121 COCCc1ccccc1OC 34a_100000722730_200000210301 [0,1,0,0,0,0|2,0,0]=3 3455 B12R1.121 COCCc1ccccc1OC 34a_100011218620_200000210301 [0,1,0,0,0,0|2,0,0]=3 3456 B12R1.121 COCCc1ccccc1OC 34a_100138415774_100011713687 [0,1,0,0,0,0|2,0,0]=3 3457 B12R1.121 COCCc1ccccc1OC 7a_100000722730_200000210301 [0,1,0,0,0,0|2,0,0]=3 3458 B12R1.121 COCCc1ccccc1OC 7a_100011218620_200000210301 [0,1,0,0,0,0|2,0,0]=3 3459 B12R1.121 COCCc1ccccc1O[13CH3] 34a_100000722730_200025704644 [0,1,0,0,0,0|2,0,0]=3 3460 B12R1.121 COCCc1ccccc1O[13CH3] 7a_100000722730_200025704644 [0,1,0,0,0,0|2,0,0]=3 3461 B12R1.121 COCOc1ccccc1SC 62a_200000210301_200000230759 [0,1,0,0,0,0|3,0,0]=4 3462 B12R1.121 COCOc1ccccc1SC 62a_200000230759_200000210301 [0,1,0,0,0,0|3,0,0]=4 3463 B12R1.121 COCOc1ccccc1S[13CH3] 62a_200000230759_200025704644 [0,1,0,0,0,0|3,0,0]=4 3464 B12R1.121 COCOc1ccccc1S[13CH3] 62a_200025704644_200000230759 [0,1,0,0,0,0|3,0,0]=4 3465 B12R1.121 COCSc1ccccc1C#N 62a_100000766300_100000188569 [0,1,0,0,0,0|3,0,0]=4 3466 B12R1.121 COCSc1ccccc1C=O 62a_100000210073_100000766300 [0,1,0,0,0,0|3,0,0]=4 3467 B12R1.121 COCSc1ccccc1C=O 62a_100000766300_100000210073 [0,1,0,0,0,0|3,0,0]=4 3468 B12R1.121 COCSc1ccccc1CN 62a_100000689332_100000766300 [0,1,0,0,0,0|3,0,0]=4 3469 B12R1.121 COCSc1ccccc1CN 62a_100000766300_100000689332 [0,1,0,0,0,0|3,0,0]=4 3470 B12R1.121 COCSc1ccccc1CO 62a_100000187465_100000766300 [0,1,0,0,0,0|3,0,0]=4 3471 B12R1.121 COCSc1ccccc1CO 62a_100000766300_100000187465 [0,1,0,0,0,0|3,0,0]=4 3472 B12R1.121 COCSc1ccccc1NN 62a_100000241748_100000766300 [0,1,0,0,0,0|3,0,0]=4 3473 B12R1.121 COCSc1ccccc1NN 62a_100000766300_100000241748 [0,1,0,0,0,0|3,0,0]=4 3474 B12R1.121 COCSc1ccccc1OC 62a_100000210334_100000766300 [0,1,0,0,0,0|3,0,0]=4 3475 B12R1.121 COCSc1ccccc1OC 62a_100000766300_100000210334 [0,1,0,0,0,0|3,0,0]=4 3476 B12R1.121 COCSc1ccccc1SC 62a_100000766300_100011217816 [0,1,0,0,0,0|3,0,0]=4 3477 B12R1.121 COCSc1ccccc1SC 62a_100011217816_100000766300 [0,1,0,0,0,0|3,0,0]=4 3478 B12R1.121 COc1ccccc1CCN[13CH3] 2230a_100000211851_200025704644 [0,1,0,0,0,0|1,0,0]=2 3479 B12R1.121 COc1ccccc1CCN[13CH3] 34a_100000211851_200025704644 [0,1,0,0,0,0|1,0,0]=2 3480 B12R1.121 COc1ccccc1CCO[13CH3] 34a_100011218620_200025704644 [0,1,0,0,0,0|2,0,0]=3 3481 B12R1.121 COc1ccccc1CCO[13CH3] 7a_100011218620_200025704644 [0,1,0,0,0,0|2,0,0]=3 3482 B12R1.121 COc1ccccc1CCSC 62a_100011713687_200000210301 [0,1,0,0,0,0|2,0,0]=3 3483 B12R1.121 COc1ccccc1CCSC 62a_200000210301_100011713687 [0,1,0,0,0,0|2,0,0]=3 3484 B12R1.121 COc1ccccc1CCS[13CH3] 62a_100011713687_200025704644 [0,1,0,0,0,0|2,0,0]=3 3485 B12R1.121 COc1ccccc1CCS[13CH3] 62a_200025704644_100011713687 [0,1,0,0,0,0|2,0,0]=3 3486 B12R1.121 COc1ccccc1NCSC 34a_100000210025_100011218213 [0,1,0,0,0,0|3,0,0]=4 3487 B12R1.121 COc1ccccc1OCSC 34a_100000210385_100011218213 [0,1,0,0,0,0|3,0,0]=4 3488 B12R1.121 COc1ccccc1SCSC 62a_100000210334_100011218213 [0,1,0,0,0,0|3,0,0]=4 3489 B12R1.121 COc1ccccc1SCSC 62a_100011218213_100000210334 [0,1,0,0,0,0|3,0,0]=4 3490 B12R1.121 CSCCc1ccccc1C#N 62a_200000210301_200013032965 [0,1,0,0,0,0|2,0,0]=3 3491 B12R1.121 CSCCc1ccccc1C=O 62a_100010186698_200000210301 [0,1,0,0,0,0|2,0,0]=3 3492 B12R1.121 CSCCc1ccccc1C=O 62a_200000210301_100010186698 [0,1,0,0,0,0|2,0,0]=3 3493 B12R1.121 CSCNc1ccccc1C#N 34a_100000211148_100011218213 [0,1,0,0,0,0|3,0,0]=4 3494 B12R1.121 CSCNc1ccccc1CO 34a_100000212039_100011218213 [0,1,0,0,0,0|3,0,0]=4 3495 B12R1.121 CSCNc1ccccc1SC 34a_100000211160_100011218213 [0,1,0,0,0,0|3,0,0]=4 3496 B12R1.121 CSCOc1ccccc1C#N 34a_100000211048_100011218213 [0,1,0,0,0,0|3,0,0]=4 3497 B12R1.121 CSCOc1ccccc1CN 34a_100000185550_100011218213 [0,1,0,0,0,0|3,0,0]=4 3498 B12R1.121 CSCOc1ccccc1CO 34a_100011216872_100011218213 [0,1,0,0,0,0|3,0,0]=4 3499 B12R1.121 CSCOc1ccccc1SC 34a_100011216402_100011218213 [0,1,0,0,0,0|3,0,0]=4 3500 B12R1.121 CSCSc1ccccc1C#N 62a_100011218213_100000188569 [0,1,0,0,0,0|3,0,0]=4 3501 B12R1.121 CSCSc1ccccc1C=O 62a_100000210073_100011218213 [0,1,0,0,0,0|3,0,0]=4 3502 B12R1.121 CSCSc1ccccc1C=O 62a_100011218213_100000210073 [0,1,0,0,0,0|3,0,0]=4 3503 B12R1.121 CSCSc1ccccc1CN 62a_100000689332_100011218213 [0,1,0,0,0,0|3,0,0]=4 3504 B12R1.121 CSCSc1ccccc1CN 62a_100011218213_100000689332 [0,1,0,0,0,0|3,0,0]=4 3505 B12R1.121 CSCSc1ccccc1CO 62a_100000187465_100011218213 [0,1,0,0,0,0|3,0,0]=4 3506 B12R1.121 CSCSc1ccccc1CO 62a_100011218213_100000187465 [0,1,0,0,0,0|3,0,0]=4 3507 B12R1.121 CSCSc1ccccc1NN 62a_100000241748_100011218213 [0,1,0,0,0,0|3,0,0]=4 3508 B12R1.121 CSCSc1ccccc1NN 62a_100011218213_100000241748 [0,1,0,0,0,0|3,0,0]=4 3509 B12R1.121 CSCSc1ccccc1SC 62a_100011217816_100011218213 [0,1,0,0,0,0|3,0,0]=4 3510 B12R1.121 CSCSc1ccccc1SC 62a_100011218213_100011217816 [0,1,0,0,0,0|3,0,0]=4 3511 B12R1.121 CSc1ccccc1CCC=O 62a_100011713448_200000210301 [0,1,0,0,0,0|3,0,0]=4 3512 B12R1.121 CSc1ccccc1CCC=O 62a_200000210301_100011713448 [0,1,0,0,0,0|3,0,0]=4 3513 B12R1.121 CSc1ccccc1CCCO 62a_100000699526_200000210301 [0,1,0,0,0,0|3,0,0]=4 3514 B12R1.121 CSc1ccccc1CCCO 62a_200000210301_100000699526 [0,1,0,0,0,0|3,0,0]=4 3515 B12R1.121 [13CH3]NCCc1ccccc1[Pd]Cl 2230a_106741704370_200025704644 [0,1,0,0,0,0|0,0,0]=1 3516 B12R1.121 [13CH3]NCCc1ccccc1[Pd]Cl 34a_106741704370_200025704644 [0,1,0,0,0,0|0,0,0]=1 3517 B12R1.121 [13CH3]NCCc1ccccc1[Pd]Cl 7a_106741704370_200025704644 [0,1,0,0,0,0|0,0,0]=1 3518 B12R1.121 [13CH3]SCCc1ccccc1C#N 62a_200025704644_200013032965 [0,1,0,0,0,0|2,0,0]=3 3519 B12R1.121 [13CH3]SCCc1ccccc1C=O 62a_100010186698_200025704644 [0,1,0,0,0,0|2,0,0]=3 3520 B12R1.121 [13CH3]SCCc1ccccc1C=O 62a_200025704644_100010186698 [0,1,0,0,0,0|2,0,0]=3 3521 B12R1.121 [13CH3]Sc1ccccc1CCC=O 62a_100011713448_200025704644 [0,1,0,0,0,0|3,0,0]=4 3522 B12R1.121 [13CH3]Sc1ccccc1CCC=O 62a_200025704644_100011713448 [0,1,0,0,0,0|3,0,0]=4 3523 B12R1.121 [13CH3]Sc1ccccc1CCCO 62a_100000699526_200025704644 [0,1,0,0,0,0|3,0,0]=4 3524 B12R1.121 [13CH3]Sc1ccccc1CCCO 62a_200025704644_100000699526 [0,1,0,0,0,0|3,0,0]=4 3525 B12R1.125 C=C(C)CNc1ccccc1Br 34a_100000210017_100000748629 [0,1,0,0,0,0|2,1,0]=4 3526 B12R1.125 C=C(C)CNc1ccccc1C 34a_100015192222_100000748629 [0,1,0,0,0,0|3,0,0]=4 3527 B12R1.125 C=C(C)CNc1ccccc1Cl 34a_100000185783_100000748629 [0,1,0,0,0,0|2,0,0]=3 3528 B12R1.125 C=C(C)CNc1ccccc1F 34a_100000210422_100000748629 [0,1,0,0,0,0|2,1,0]=4 3529 B12R1.125 C=C(C)CNc1ccccc1I 34a_100000210053_100000748629 [0,1,0,0,0,0|2,1,0]=4 3530 B12R1.125 C=C(C)CNc1ccccc1O 34a_100000185747_100000748629 [0,1,0,0,0,0|3,0,0]=4 3531 B12R1.125 C=C(C)COc1ccccc1Br 34a_100000181306_100000748629 [0,1,0,0,0,0|2,1,0]=4 3532 B12R1.125 C=C(C)COc1ccccc1Br 7a_100000181306_100000748629 [0,1,0,0,0,0|2,1,0]=4 3533 B12R1.125 C=C(C)COc1ccccc1C 34a_100000210338_100000748629 [0,1,0,0,0,0|3,0,0]=4 3534 B12R1.125 C=C(C)COc1ccccc1C 7a_100000210338_100000748629 [0,1,0,0,0,0|3,0,0]=4 3535 B12R1.125 C=C(C)COc1ccccc1Cl 34a_100000210172_100000748629 [0,1,0,0,0,0|2,0,0]=3 3536 B12R1.125 C=C(C)COc1ccccc1Cl 7a_100000210172_100000748629 [0,1,0,0,0,0|2,0,0]=3 3537 B12R1.125 C=C(C)COc1ccccc1F 34a_100000210171_100000748629 [0,1,0,0,0,0|2,1,0]=4 3538 B12R1.125 C=C(C)COc1ccccc1F 7a_100000210171_100000748629 [0,1,0,0,0,0|2,1,0]=4 3539 B12R1.125 C=C(C)COc1ccccc1I 34a_100000739446_100000748629 [0,1,0,0,0,0|2,1,0]=4 3540 B12R1.125 C=C(C)COc1ccccc1I 7a_100000739446_100000748629 [0,1,0,0,0,0|2,1,0]=4 3541 B12R1.125 C=C(C)COc1ccccc1N 34a_100000185747_100000748629 [0,1,0,0,0,0|3,0,0]=4 3542 B12R1.125 C=C(C)COc1ccccc1N 7a_100000185747_100000748629 [0,1,0,0,0,0|3,0,0]=4 3543 B12R1.125 C=C(C)COc1cccnc1Cl 34a_100000757616_100000748629 [0,1,0,0,0,0|3,0,0]=4 3544 B12R1.125 C=C(C)COc1cccnc1Cl 7a_100000757616_100000748629 [0,1,0,0,0,0|3,0,0]=4 3545 B12R1.125 C=C(C)COc1ccncc1Cl 34a_100011997054_100000748629 [0,1,0,0,0,0|3,0,0]=4 3546 B12R1.125 C=C(C)COc1cnccc1Cl 34a_100011996695_100000748629 [0,1,0,0,0,0|3,0,0]=4 3547 B12R1.125 C=C(C)COc1ncccc1Cl 34a_100011290957_100000748629 [0,1,0,0,0,0|3,0,0]=4 3548 B12R1.125 C=C(C)CSc1ccccc1Br 62a_100000695589_100000211660 [0,1,0,0,0,0|2,1,0]=4 3549 B12R1.125 C=C(C)CSc1ccccc1Br 62a_100000748629_100000695589 [0,1,0,0,0,0|2,1,0]=4 3550 B12R1.125 C=C(C)CSc1ccccc1C 62a_100000210755_100000211660 [0,1,0,0,0,0|3,0,0]=4 3551 B12R1.125 C=C(C)CSc1ccccc1C 62a_100000748629_100000210755 [0,1,0,0,0,0|3,0,0]=4 3552 B12R1.125 C=C(C)CSc1ccccc1Cl 62a_100000748629_100000764095 [0,1,0,0,0,0|2,0,0]=3 3553 B12R1.125 C=C(C)CSc1ccccc1Cl 62a_100000764095_100000211660 [0,1,0,0,0,0|2,0,0]=3 3554 B12R1.125 C=C(C)CSc1ccccc1F 62a_100000748629_100011215700 [0,1,0,0,0,0|2,1,0]=4 3555 B12R1.125 C=C(C)CSc1ccccc1F 62a_100011215700_100000211660 [0,1,0,0,0,0|2,1,0]=4 3556 B12R1.125 C=C(C)CSc1ccccc1N 62a_100000210017_100000211660 [0,1,0,0,0,0|3,0,0]=4 3557 B12R1.125 C=C(C)CSc1ccccc1N 62a_100000748629_100000210017 [0,1,0,0,0,0|3,0,0]=4 3558 B12R1.125 C=C(C)CSc1ccccc1O 62a_100000739446_100000211660 [0,1,0,0,0,0|3,0,0]=4 3559 B12R1.125 C=C(C)CSc1ccccc1O 62a_100000748629_100000739446 [0,1,0,0,0,0|3,0,0]=4 3560 B12R1.125 C=C(C)CSc1cccnc1Cl 62a_100000036424_100000211660 [0,1,0,0,0,0|3,0,0]=4 3561 B12R1.125 C=C(C)CSc1cccnc1Cl 62a_100000748629_100000036424 [0,1,0,0,0,0|3,0,0]=4 3562 B12R1.125 C=C(C)CSc1ccncc1Cl 62a_100000708259_100000211660 [0,1,0,0,0,0|3,0,0]=4 3563 B12R1.125 C=C(C)CSc1ccncc1Cl 62a_100000748629_100000708259 [0,1,0,0,0,0|3,0,0]=4 3564 B12R1.125 C=C(C)CSc1cnccc1Cl 62a_100000748629_100009995489 [0,1,0,0,0,0|3,0,0]=4 3565 B12R1.125 C=C(C)CSc1cnccc1Cl 62a_100009995489_100000211660 [0,1,0,0,0,0|3,0,0]=4 3566 B12R1.125 C=C(C)CSc1ncccc1Cl 62a_100000748629_100011356963 [0,1,0,0,0,0|3,0,0]=4 3567 B12R1.125 C=C(C)CSc1ncccc1Cl 62a_100011356963_100000211660 [0,1,0,0,0,0|3,0,0]=4 3568 B12R1.125 C=C(F)CNc1ccccc1Cl 34a_100000185783_100009893438 [0,1,0,0,0,0|2,0,1]=4 3569 B12R1.125 C=C(F)COc1ccccc1Cl 34a_100000210172_100009893438 [0,1,0,0,0,0|2,0,1]=4 3570 B12R1.125 C=C(F)COc1ccccc1Cl 7a_100000210172_100000042424 [0,1,0,0,0,0|2,0,1]=4 3571 B12R1.125 C=C(F)CSc1ccccc1Cl 62a_100000042424_100000764095 [0,1,0,0,0,0|2,0,1]=4 3572 B12R1.125 C=C(F)CSc1ccccc1Cl 62a_100000764095_100000042424 [0,1,0,0,0,0|2,0,1]=4 3573 B12R1.125 CC(=O)C=Cc1ccccc1Cl 1458a_100000720304_200000210301 [0,1,0,0,0,0|1,0,2]=4 3574 B12R1.125 CC(=O)CCc1ccccc1Br 1458a_100000070787_100012161201 [0,1,0,0,0,0|1,1,0]=3 3575 B12R1.125 CC(=O)CCc1ccccc1Br 1458a_100000740810_200000210301 [0,1,0,0,0,0|1,1,0]=3 3576 B12R1.125 CC(=O)CCc1ccccc1C 1458a_100000070787_100011713688 [0,1,0,0,0,0|2,0,0]=3 3577 B12R1.125 CC(=O)CCc1ccccc1C 1458a_100000748742_200000210301 [0,1,0,0,0,0|2,0,0]=3 3578 B12R1.125 CC(=O)CCc1ccccc1Cl 1458a_100000070787_100011713703 [0,1,0,0,0,0|1,0,0]=2 3579 B12R1.125 CC(=O)CCc1ccccc1Cl 1458a_100000184300_200000210301 [0,1,0,0,0,0|1,0,0]=2 3580 B12R1.125 CC(=O)CCc1ccccc1F 1458a_100000070787_100000720011 [0,1,0,0,0,0|1,1,0]=3 3581 B12R1.125 CC(=O)CCc1ccccc1F 1458a_100000189703_200000210301 [0,1,0,0,0,0|1,1,0]=3 3582 B12R1.125 CC(=O)CCc1ccccc1I 1458a_100000037306_200000210301 [0,1,0,0,0,0|1,1,0]=3 3583 B12R1.125 CC(=O)CCc1ccccc1O 1458a_100000070787_100000722297 [0,1,0,0,0,0|2,0,0]=3 3584 B12R1.125 CC(=O)CCc1ccccc1O 1458a_100000181328_200000210301 [0,1,0,0,0,0|2,0,0]=3 3585 B12R1.125 CC(=O)CCn1ccccc1=O 1458a_100000738505_200000210301 [0,1,0,0,0,0|3,0,0]=4 3586 B12R1.125 CC(=O)COc1ccccc1Br 1458a_100000216496_200000210301 [0,1,0,0,0,0|2,1,0]=4 3587 B12R1.125 CC(=O)COc1ccccc1C 1458a_100000182418_200000210301 [0,1,0,0,0,0|3,0,0]=4 3588 B12R1.125 CC(=O)COc1ccccc1Cl 1458a_100000185159_200000210301 [0,1,0,0,0,0|2,0,0]=3 3589 B12R1.125 CC(=O)COc1ccccc1F 1458a_100000182486_200000210301 [0,1,0,0,0,0|2,1,0]=4 3590 B12R1.125 CC(=O)COc1ccccc1O 1458a_100000183020_200000210301 [0,1,0,0,0,0|3,0,0]=4 3591 B12R1.125 CC(=O)CSc1ccccc1C 1458a_100000183026_200000210301 [0,1,0,0,0,0|3,0,0]=4 3592 B12R1.125 CC(=O)CSc1ccccc1F 1458a_100000179528_200000210301 [0,1,0,0,0,0|2,1,0]=4 3593 B12R1.125 CC(=O)CSc1ccccc1O 1458a_100000695322_200000210301 [0,1,0,0,0,0|3,0,0]=4 3594 B12R1.125 CC(=O)NCc1ccccc1Br 11a_100000689332_100015343762 [0,1,0,0,0,0|2,1,0]=4 3595 B12R1.125 CC(=O)NCc1ccccc1Br 1626a_100000689332_100015343762 [0,1,0,0,0,0|2,1,0]=4 3596 B12R1.125 CC(=O)NCc1ccccc1Br 240690a_100000689332_100015343762 [0,1,0,0,0,0|2,1,0]=4 3597 B12R1.125 CC(=O)NCc1ccccc1Br 527a_100000689332_100103153847 [0,1,0,0,0,0|2,1,0]=4 3598 B12R1.125 CC(=O)NCc1ccccc1C 11a_100000174972_100015343762 [0,1,0,0,0,0|3,0,0]=4 3599 B12R1.125 CC(=O)NCc1ccccc1C 1626a_100000174972_100015343762 [0,1,0,0,0,0|3,0,0]=4 3600 B12R1.125 CC(=O)NCc1ccccc1C 240690a_100000174972_100015343762 [0,1,0,0,0,0|3,0,0]=4 3601 B12R1.125 CC(=O)NCc1ccccc1C 527a_100000174972_100103153847 [0,1,0,0,0,0|3,0,0]=4 3602 B12R1.125 CC(=O)NCc1ccccc1Cl 11a_100000174879_100015343762 [0,1,0,0,0,0|2,0,0]=3 3603 B12R1.125 CC(=O)NCc1ccccc1Cl 1626a_100000174879_100015343762 [0,1,0,0,0,0|2,0,0]=3 3604 B12R1.125 CC(=O)NCc1ccccc1Cl 240690a_100000174879_100015343762 [0,1,0,0,0,0|2,0,0]=3 3605 B12R1.125 CC(=O)NCc1ccccc1Cl 527a_100000174879_100103153847 [0,1,0,0,0,0|2,0,0]=3 3606 B12R1.125 CC(=O)NCc1ccccc1F 11a_100000174869_100015343762 [0,1,0,0,0,0|2,1,0]=4 3607 B12R1.125 CC(=O)NCc1ccccc1F 1626a_100000174869_100015343762 [0,1,0,0,0,0|2,1,0]=4 3608 B12R1.125 CC(=O)NCc1ccccc1F 240690a_100000174869_100015343762 [0,1,0,0,0,0|2,1,0]=4 3609 B12R1.125 CC(=O)NCc1ccccc1F 527a_100000174869_100103153847 [0,1,0,0,0,0|2,1,0]=4 3610 B12R1.125 CC(=O)NCc1ccccc1I 11a_100015347259_100015343762 [0,1,0,0,0,0|2,1,0]=4 3611 B12R1.125 CC(=O)NCc1ccccc1I 1626a_100015347259_100015343762 [0,1,0,0,0,0|2,1,0]=4 3612 B12R1.125 CC(=O)NCc1ccccc1I 240690a_100015347259_100015343762 [0,1,0,0,0,0|2,1,0]=4 3613 B12R1.125 CC(=O)NCc1ccccc1I 527a_100015347259_100103153847 [0,1,0,0,0,0|2,1,0]=4 3614 B12R1.125 CC(=O)NCc1ccccc1O 240690a_100000185550_100015343762 [0,1,0,0,0,0|3,0,0]=4 3615 B12R1.125 CC(=O)NCc1ccccc1O 271570a_203496583355_100011237613 [0,1,0,0,0,0|3,0,0]=4 3616 B12R1.125 CC(=O)NCc1ccccc1O 527a_100000185550_100103153847 [0,1,0,0,0,0|3,0,0]=4 3617 B12R1.125 CC(=O)NCc1cccnc1Cl 11a_100015189234_100015343762 [0,1,0,0,0,0|3,0,0]=4 3618 B12R1.125 CC(=O)NCc1cccnc1Cl 1626a_100015189234_100015343762 [0,1,0,0,0,0|3,0,0]=4 3619 B12R1.125 CC(=O)NCc1cccnc1Cl 240690a_100015189234_100015343762 [0,1,0,0,0,0|3,0,0]=4 3620 B12R1.125 CC(=O)NCc1cccnc1Cl 527a_100015189234_100103153847 [0,1,0,0,0,0|3,0,0]=4 3621 B12R1.125 CC(=O)NCc1ncccc1Cl 11a_100015189233_100015343762 [0,1,0,0,0,0|3,0,0]=4 3622 B12R1.125 CC(=O)NCc1ncccc1Cl 1626a_100015189233_100015343762 [0,1,0,0,0,0|3,0,0]=4 3623 B12R1.125 CC(=O)NCc1ncccc1Cl 240690a_100015189233_100015343762 [0,1,0,0,0,0|3,0,0]=4 3624 B12R1.125 CC(=O)NCc1ncccc1Cl 527a_100015189233_100103153847 [0,1,0,0,0,0|3,0,0]=4 3625 B12R1.125 CC(=O)NNc1ccccc1Cl 22a_100000683529_100000070787 [0,1,0,0,0,0|3,0,0]=4 3626 B12R1.125 CC(C)C=Cc1ccccc1Cl 271570a_100016257149_100000764095 [0,1,0,0,0,0|1,0,2]=4 3627 B12R1.125 CC(C)CNc1ccccc1Br 34a_100000210017_100000210624 [0,1,0,0,0,0|2,1,0]=4 3628 B12R1.125 CC(C)CNc1ccccc1Cl 34a_100000185783_100000210624 [0,1,0,0,0,0|2,0,0]=3 3629 B12R1.125 CC(C)CNc1ccccc1F 34a_100000210422_100000210624 [0,1,0,0,0,0|2,1,0]=4 3630 B12R1.125 CC(C)CNc1ccccc1I 34a_100000210053_100000210624 [0,1,0,0,0,0|2,1,0]=4 3631 B12R1.125 CC(C)CNc1ccccc1O 34a_100000185747_100000210624 [0,1,0,0,0,0|3,0,0]=4 3632 B12R1.125 CC(C)COc1ccccc1Br 34a_100000181306_100000210624 [0,1,0,0,0,0|2,1,0]=4 3633 B12R1.125 CC(C)COc1ccccc1Br 7a_100000181306_100000210760 [0,1,0,0,0,0|2,1,0]=4 3634 B12R1.125 CC(C)COc1ccccc1Cl 34a_100000210172_100000210624 [0,1,0,0,0,0|2,0,0]=3 3635 B12R1.125 CC(C)COc1ccccc1Cl 7a_100000210172_100000210760 [0,1,0,0,0,0|2,0,0]=3 3636 B12R1.125 CC(C)COc1ccccc1F 34a_100000210171_100000210624 [0,1,0,0,0,0|2,1,0]=4 3637 B12R1.125 CC(C)COc1ccccc1F 7a_100000210171_100000210760 [0,1,0,0,0,0|2,1,0]=4 3638 B12R1.125 CC(C)COc1ccccc1I 34a_100000739446_100000210624 [0,1,0,0,0,0|2,1,0]=4 3639 B12R1.125 CC(C)COc1ccccc1I 7a_100000739446_100000210760 [0,1,0,0,0,0|2,1,0]=4 3640 B12R1.125 CC(C)COc1ccccc1N 34a_100000185747_100000210624 [0,1,0,0,0,0|3,0,0]=4 3641 B12R1.125 CC(C)COc1ccccc1N 7a_100000185747_100000210760 [0,1,0,0,0,0|3,0,0]=4 3642 B12R1.125 CC(C)COc1cccnc1Cl 34a_100000757616_100000210624 [0,1,0,0,0,0|3,0,0]=4 3643 B12R1.125 CC(C)COc1cccnc1Cl 7a_100000757616_100000210760 [0,1,0,0,0,0|3,0,0]=4 3644 B12R1.125 CC(C)COc1ccncc1Cl 34a_100011997054_100000210624 [0,1,0,0,0,0|3,0,0]=4 3645 B12R1.125 CC(C)COc1cnccc1Cl 34a_100011996695_100000210624 [0,1,0,0,0,0|3,0,0]=4 3646 B12R1.125 CC(C)COc1ncccc1Cl 34a_100011290957_100000210624 [0,1,0,0,0,0|3,0,0]=4 3647 B12R1.125 CC(C)CSc1ccccc1Br 62a_100000210624_100000695589 [0,1,0,0,0,0|2,1,0]=4 3648 B12R1.125 CC(C)CSc1ccccc1Br 62a_100000695589_100000210760 [0,1,0,0,0,0|2,1,0]=4 3649 B12R1.125 CC(C)CSc1ccccc1Cl 62a_100000210624_100000764095 [0,1,0,0,0,0|2,0,0]=3 3650 B12R1.125 CC(C)CSc1ccccc1Cl 62a_100000764095_100000210760 [0,1,0,0,0,0|2,0,0]=3 3651 B12R1.125 CC(C)CSc1ccccc1F 62a_100000210624_100011215700 [0,1,0,0,0,0|2,1,0]=4 3652 B12R1.125 CC(C)CSc1ccccc1F 62a_100011215700_100000210760 [0,1,0,0,0,0|2,1,0]=4 3653 B12R1.125 CC(C)CSc1ccccc1N 62a_100000210017_100000210760 [0,1,0,0,0,0|3,0,0]=4 3654 B12R1.125 CC(C)CSc1ccccc1N 62a_100000210624_100000210017 [0,1,0,0,0,0|3,0,0]=4 3655 B12R1.125 CC(C)CSc1ccccc1O 62a_100000210624_100000739446 [0,1,0,0,0,0|3,0,0]=4 3656 B12R1.125 CC(C)CSc1ccccc1O 62a_100000739446_100000210760 [0,1,0,0,0,0|3,0,0]=4 3657 B12R1.125 CC(C)CSc1cccnc1Cl 62a_100000036424_100000210760 [0,1,0,0,0,0|3,0,0]=4 3658 B12R1.125 CC(C)CSc1cccnc1Cl 62a_100000210624_100000036424 [0,1,0,0,0,0|3,0,0]=4 3659 B12R1.125 CC(C)CSc1ccncc1Cl 62a_100000210624_100000708259 [0,1,0,0,0,0|3,0,0]=4 3660 B12R1.125 CC(C)CSc1ccncc1Cl 62a_100000708259_100000210760 [0,1,0,0,0,0|3,0,0]=4 3661 B12R1.125 CC(C)CSc1cnccc1Cl 62a_100000210624_100009995489 [0,1,0,0,0,0|3,0,0]=4 3662 B12R1.125 CC(C)CSc1cnccc1Cl 62a_100009995489_100000210760 [0,1,0,0,0,0|3,0,0]=4 3663 B12R1.125 CC(C)CSc1ncccc1Cl 62a_100000210624_100011356963 [0,1,0,0,0,0|3,0,0]=4 3664 B12R1.125 CC(C)CSc1ncccc1Cl 62a_100011356963_100000210760 [0,1,0,0,0,0|3,0,0]=4 3665 B12R1.125 CC(C)NCc1ccccc1Br 207a_100138425928_100000211189 [0,1,0,0,0,0|2,1,0]=4 3666 B12R1.125 CC(C)NCc1ccccc1Br 2230a_100000689332_100000210206 [0,1,0,0,0,0|2,1,0]=4 3667 B12R1.125 CC(C)NCc1ccccc1Br 2230a_100138425928_100000184730 [0,1,0,0,0,0|2,1,0]=4 3668 B12R1.125 CC(C)NCc1ccccc1Br 34a_100000689332_100000210206 [0,1,0,0,0,0|2,1,0]=4 3669 B12R1.125 CC(C)NCc1ccccc1Br 34a_100138425928_100000184730 [0,1,0,0,0,0|2,1,0]=4 3670 B12R1.125 CC(C)NCc1ccccc1Cl 207a_100138425928_100000210073 [0,1,0,0,0,0|2,0,0]=3 3671 B12R1.125 CC(C)NCc1ccccc1Cl 2230a_100000174879_100000210206 [0,1,0,0,0,0|2,0,0]=3 3672 B12R1.125 CC(C)NCc1ccccc1Cl 2230a_100138425928_100000187162 [0,1,0,0,0,0|2,0,0]=3 3673 B12R1.125 CC(C)NCc1ccccc1Cl 34a_100000174879_100000210206 [0,1,0,0,0,0|2,0,0]=3 3674 B12R1.125 CC(C)NCc1ccccc1Cl 34a_100138425928_100000187162 [0,1,0,0,0,0|2,0,0]=3 3675 B12R1.125 CC(C)NCc1ccccc1F 207a_100138425928_100000210811 [0,1,0,0,0,0|2,1,0]=4 3676 B12R1.125 CC(C)NCc1ccccc1F 2230a_100138425928_100000211605 [0,1,0,0,0,0|2,1,0]=4 3677 B12R1.125 CC(C)NCc1ccccc1F 34a_100000174869_100000210206 [0,1,0,0,0,0|2,1,0]=4 3678 B12R1.125 CC(C)NCc1ccccc1F 34a_100138425928_100000211605 [0,1,0,0,0,0|2,1,0]=4 3679 B12R1.125 CC(C)NCc1ccccc1I 207a_100138425928_100000010305 [0,1,0,0,0,0|2,1,0]=4 3680 B12R1.125 CC(C)NCc1ccccc1I 2230a_100138425928_100011215278 [0,1,0,0,0,0|2,1,0]=4 3681 B12R1.125 CC(C)NCc1ccccc1I 34a_100138425928_100011215278 [0,1,0,0,0,0|2,1,0]=4 3682 B12R1.125 CC(C)NCc1ccccc1O 271570a_203496583355_100000195800 [0,1,0,0,0,0|3,0,0]=4 3683 B12R1.125 CC(C)NCc1ccccc1O 34a_100000185550_100000210206 [0,1,0,0,0,0|3,0,0]=4 3684 B12R1.125 CC(C)NCc1cccnc1Cl 2230a_100015189234_100000210206 [0,1,0,0,0,0|3,0,0]=4 3685 B12R1.125 CC(C)NCc1cccnc1Cl 2230a_100138425928_100000045678 [0,1,0,0,0,0|3,0,0]=4 3686 B12R1.125 CC(C)NCc1cccnc1Cl 34a_100015189234_100000210206 [0,1,0,0,0,0|3,0,0]=4 3687 B12R1.125 CC(C)NCc1cccnc1Cl 34a_100138425928_100000045678 [0,1,0,0,0,0|3,0,0]=4 3688 B12R1.125 CC(C)NCc1ccncc1Cl 207a_100138425928_100011934409 [0,1,0,0,0,0|3,0,0]=4 3689 B12R1.125 CC(C)NCc1ccncc1Cl 2230a_100138425928_100000763264 [0,1,0,0,0,0|3,0,0]=4 3690 B12R1.125 CC(C)NCc1ncccc1Cl 207a_100138425928_100012001307 [0,1,0,0,0,0|3,0,0]=4 3691 B12R1.125 CC(C)NCc1ncccc1Cl 2230a_100015189233_100000210206 [0,1,0,0,0,0|3,0,0]=4 3692 B12R1.125 CC(C)NCc1ncccc1Cl 2230a_100138425928_100000099807 [0,1,0,0,0,0|3,0,0]=4 3693 B12R1.125 CC(C)OCc1ccccc1Br 34a_100000212225_100000184730 [0,1,0,0,0,0|2,1,0]=4 3694 B12R1.125 CC(C)OCc1ccccc1Br 34a_100000756307_100000210206 [0,1,0,0,0,0|2,1,0]=4 3695 B12R1.125 CC(C)OCc1ccccc1Br 7a_100000756307_100000210206 [0,1,0,0,0,0|2,1,0]=4 3696 B12R1.125 CC(C)OCc1ccccc1Cl 34a_100000210847_100000210206 [0,1,0,0,0,0|2,0,0]=3 3697 B12R1.125 CC(C)OCc1ccccc1Cl 34a_100000212225_100000187162 [0,1,0,0,0,0|2,0,0]=3 3698 B12R1.125 CC(C)OCc1ccccc1Cl 7a_100000210847_100000210206 [0,1,0,0,0,0|2,0,0]=3 3699 B12R1.125 CC(C)OCc1ccccc1F 34a_100000211962_100000210206 [0,1,0,0,0,0|2,1,0]=4 3700 B12R1.125 CC(C)OCc1ccccc1F 34a_100000212225_100000211605 [0,1,0,0,0,0|2,1,0]=4 3701 B12R1.125 CC(C)OCc1ccccc1F 7a_100000211962_100000210206 [0,1,0,0,0,0|2,1,0]=4 3702 B12R1.125 CC(C)OCc1ccccc1I 34a_100000187465_100000210206 [0,1,0,0,0,0|2,1,0]=4 3703 B12R1.125 CC(C)OCc1ccccc1I 34a_100000212225_100011215278 [0,1,0,0,0,0|2,1,0]=4 3704 B12R1.125 CC(C)OCc1ccccc1I 7a_100000187465_100000210206 [0,1,0,0,0,0|2,1,0]=4 3705 B12R1.125 CC(C)OCc1ccccc1N 34a_100000212039_100000210206 [0,1,0,0,0,0|3,0,0]=4 3706 B12R1.125 CC(C)OCc1cccnc1Cl 34a_100000212225_100000045678 [0,1,0,0,0,0|3,0,0]=4 3707 B12R1.125 CC(C)OCc1cccnc1Cl 34a_100000748726_100000210206 [0,1,0,0,0,0|3,0,0]=4 3708 B12R1.125 CC(C)OCc1cccnc1Cl 7a_100000748726_100000210206 [0,1,0,0,0,0|3,0,0]=4 3709 B12R1.125 CC(C)OCc1cnccc1Cl 34a_100000117392_100000210206 [0,1,0,0,0,0|3,0,0]=4 3710 B12R1.125 CC(C)OCc1ncccc1Cl 34a_100012002383_100000210206 [0,1,0,0,0,0|3,0,0]=4 3711 B12R1.125 CC(C)SCc1ccccc1Br 62a_100000184730_100000210206 [0,1,0,0,0,0|2,1,0]=4 3712 B12R1.125 CC(C)SCc1ccccc1Br 62a_100000210206_100000184730 [0,1,0,0,0,0|2,1,0]=4 3713 B12R1.125 CC(C)SCc1ccccc1Cl 62a_100000187162_100000210206 [0,1,0,0,0,0|2,0,0]=3 3714 B12R1.125 CC(C)SCc1ccccc1Cl 62a_100000210206_100000187162 [0,1,0,0,0,0|2,0,0]=3 3715 B12R1.125 CC(C)SCc1ccccc1F 62a_100000210206_100000211605 [0,1,0,0,0,0|2,1,0]=4 3716 B12R1.125 CC(C)SCc1ccccc1F 62a_100000211605_100000210206 [0,1,0,0,0,0|2,1,0]=4 3717 B12R1.125 CC(C)SCc1ccccc1I 62a_100000210206_100011216222 [0,1,0,0,0,0|2,1,0]=4 3718 B12R1.125 CC(C)SCc1ccccc1I 62a_100011216222_100000210206 [0,1,0,0,0,0|2,1,0]=4 3719 B12R1.125 CC(C)SCc1ccccc1O 271570a_203496583355_200000173093 [0,1,0,0,0,0|3,0,0]=4 3720 B12R1.125 CC(C)SCc1cccnc1Cl 62a_100000045678_100000210206 [0,1,0,0,0,0|3,0,0]=4 3721 B12R1.125 CC(C)SCc1cccnc1Cl 62a_100000210206_100000045678 [0,1,0,0,0,0|3,0,0]=4 3722 B12R1.125 CC(C)SCc1ccncc1Cl 62a_100000210206_100000763264 [0,1,0,0,0,0|3,0,0]=4 3723 B12R1.125 CC(C)SCc1ccncc1Cl 62a_100000763264_100000210206 [0,1,0,0,0,0|3,0,0]=4 3724 B12R1.125 CC(C)SCc1ncccc1Cl 62a_100000099807_100000210206 [0,1,0,0,0,0|3,0,0]=4 3725 B12R1.125 CC(C)SCc1ncccc1Cl 62a_100000210206_100000099807 [0,1,0,0,0,0|3,0,0]=4 3726 B12R1.125 CC(O)C=Cc1ccccc1Cl 271570a_200011019289_100000764095 [0,1,0,0,0,0|1,0,2]=4 3727 B12R1.125 CC(O)CNc1ccccc1Br 34a_100000210017_100011218427 [0,1,0,0,0,0|2,1,0]=4 3728 B12R1.125 CC(O)CNc1ccccc1Cl 34a_100000185783_100011218427 [0,1,0,0,0,0|2,0,0]=3 3729 B12R1.125 CC(O)CNc1ccccc1F 34a_100000210422_100011218427 [0,1,0,0,0,0|2,1,0]=4 3730 B12R1.125 CC(O)CNc1ccccc1I 34a_100000210053_100011218427 [0,1,0,0,0,0|2,1,0]=4 3731 B12R1.125 CC(O)CNc1ccccc1O 34a_100000185747_100011218427 [0,1,0,0,0,0|3,0,0]=4 3732 B12R1.125 CC(O)COc1ccccc1Br 34a_100000181306_100011218427 [0,1,0,0,0,0|2,1,0]=4 3733 B12R1.125 CC(O)COc1ccccc1Br 7a_100000181306_100011218427 [0,1,0,0,0,0|2,1,0]=4 3734 B12R1.125 CC(O)COc1ccccc1Cl 34a_100000210172_100011218427 [0,1,0,0,0,0|2,0,0]=3 3735 B12R1.125 CC(O)COc1ccccc1Cl 7a_100000210172_100011218427 [0,1,0,0,0,0|2,0,0]=3 3736 B12R1.125 CC(O)COc1ccccc1F 34a_100000210171_100011218427 [0,1,0,0,0,0|2,1,0]=4 3737 B12R1.125 CC(O)COc1ccccc1F 7a_100000210171_100011218427 [0,1,0,0,0,0|2,1,0]=4 3738 B12R1.125 CC(O)COc1ccccc1I 34a_100000739446_100011218427 [0,1,0,0,0,0|2,1,0]=4 3739 B12R1.125 CC(O)COc1ccccc1I 7a_100000739446_100011218427 [0,1,0,0,0,0|2,1,0]=4 3740 B12R1.125 CC(O)COc1ccccc1N 34a_100000185747_100011218427 [0,1,0,0,0,0|3,0,0]=4 3741 B12R1.125 CC(O)COc1ccccc1N 7a_100000185747_100011218427 [0,1,0,0,0,0|3,0,0]=4 3742 B12R1.125 CC(O)COc1cccnc1Cl 34a_100000757616_100011218427 [0,1,0,0,0,0|3,0,0]=4 3743 B12R1.125 CC(O)COc1cccnc1Cl 7a_100000757616_100011218427 [0,1,0,0,0,0|3,0,0]=4 3744 B12R1.125 CC(O)COc1ccncc1Cl 34a_100011997054_100011218427 [0,1,0,0,0,0|3,0,0]=4 3745 B12R1.125 CC(O)COc1cnccc1Cl 34a_100011996695_100011218427 [0,1,0,0,0,0|3,0,0]=4 3746 B12R1.125 CC(O)COc1ncccc1Cl 34a_100011290957_100011218427 [0,1,0,0,0,0|3,0,0]=4 3747 B12R1.125 CC(O)CSc1ccccc1Br 62a_100000695589_100011218427 [0,1,0,0,0,0|2,1,0]=4 3748 B12R1.125 CC(O)CSc1ccccc1Br 62a_100011218427_100000695589 [0,1,0,0,0,0|2,1,0]=4 3749 B12R1.125 CC(O)CSc1ccccc1Cl 62a_100000764095_100011218427 [0,1,0,0,0,0|2,0,0]=3 3750 B12R1.125 CC(O)CSc1ccccc1Cl 62a_100011218427_100000764095 [0,1,0,0,0,0|2,0,0]=3 3751 B12R1.125 CC(O)CSc1ccccc1F 62a_100011215700_100011218427 [0,1,0,0,0,0|2,1,0]=4 3752 B12R1.125 CC(O)CSc1ccccc1F 62a_100011218427_100011215700 [0,1,0,0,0,0|2,1,0]=4 3753 B12R1.125 CC(O)CSc1ccccc1N 62a_100000210017_100011218427 [0,1,0,0,0,0|3,0,0]=4 3754 B12R1.125 CC(O)CSc1ccccc1N 62a_100011218427_100000210017 [0,1,0,0,0,0|3,0,0]=4 3755 B12R1.125 CC(O)CSc1ccccc1O 62a_100000739446_100011218427 [0,1,0,0,0,0|3,0,0]=4 3756 B12R1.125 CC(O)CSc1ccccc1O 62a_100011218427_100000739446 [0,1,0,0,0,0|3,0,0]=4 3757 B12R1.125 CC(O)CSc1cccnc1Cl 62a_100000036424_100011218427 [0,1,0,0,0,0|3,0,0]=4 3758 B12R1.125 CC(O)CSc1cccnc1Cl 62a_100011218427_100000036424 [0,1,0,0,0,0|3,0,0]=4 3759 B12R1.125 CC(O)CSc1ccncc1Cl 62a_100000708259_100011218427 [0,1,0,0,0,0|3,0,0]=4 3760 B12R1.125 CC(O)CSc1ccncc1Cl 62a_100011218427_100000708259 [0,1,0,0,0,0|3,0,0]=4 3761 B12R1.125 CC(O)CSc1cnccc1Cl 62a_100009995489_100011218427 [0,1,0,0,0,0|3,0,0]=4 3762 B12R1.125 CC(O)CSc1cnccc1Cl 62a_100011218427_100009995489 [0,1,0,0,0,0|3,0,0]=4 3763 B12R1.125 CC(O)CSc1ncccc1Cl 62a_100011218427_100011356963 [0,1,0,0,0,0|3,0,0]=4 3764 B12R1.125 CC(O)CSc1ncccc1Cl 62a_100011356963_100011218427 [0,1,0,0,0,0|3,0,0]=4 3765 B12R1.125 CN(C)CCc1ccccc1Br 2230a_100102631434_100012161201 [0,1,0,0,0,0|0,1,0]=2 3766 B12R1.125 CN(C)CCc1ccccc1Br 269982a_100102631434_100012161201 [0,1,0,0,0,0|0,1,0]=2 3767 B12R1.125 CN(C)CCc1ccccc1Cl 2230a_100102631434_100011713703 [0,1,0,0,0,0|0,0,0]=1 3768 B12R1.125 CN(C)CCc1ccccc1Cl 269982a_100102631434_100011713703 [0,1,0,0,0,0|0,0,0]=1 3769 B12R1.125 CN(C)CCc1ccccc1Cl 270004a_100102631434_200011713468 [0,1,0,0,0,0|0,0,0]=1 3770 B12R1.125 CN(C)CCc1ccccc1F 2230a_100000232559_200000210301 [0,1,0,0,0,0|0,1,0]=2 3771 B12R1.125 CN(C)CCc1ccccc1F 2230a_100102631434_100011713696 [0,1,0,0,0,0|0,1,0]=2 3772 B12R1.125 CN(C)CCc1ccccc1F 269982a_100000232559_200000210301 [0,1,0,0,0,0|0,1,0]=2 3773 B12R1.125 CN(C)CCc1ccccc1F 269982a_100102631434_100011713696 [0,1,0,0,0,0|0,1,0]=2 3774 B12R1.125 CN(C)CCc1ccccc1F 34a_100000232559_200000210301 [0,1,0,0,0,0|0,1,0]=2 3775 B12R1.125 CN(C)CCc1ccccc1O 269982a_100102631434_100000722297 [0,1,0,0,0,0|1,0,0]=2 3776 B12R1.125 CN([13CH3])CCc1ccccc1F 2230a_100000232559_200025704644 [0,1,0,0,0,0|0,1,0]=2 3777 B12R1.125 CN([13CH3])CCc1ccccc1F 269982a_100000232559_200025704644 [0,1,0,0,0,0|0,1,0]=2 3778 B12R1.125 CN([13CH3])CCc1ccccc1F 34a_100000232559_200025704644 [0,1,0,0,0,0|0,1,0]=2 3779 B12R1.125 C[C@@H](O)CNc1ccccc1Br 34a_100000210017_100009817552 [0,1,0,0,0,0|2,1,0]=4 3780 B12R1.125 C[C@@H](O)CNc1ccccc1Cl 34a_100000185783_100009817552 [0,1,0,0,0,0|2,0,0]=3 3781 B12R1.125 C[C@@H](O)CNc1ccccc1F 34a_100000210422_100009817552 [0,1,0,0,0,0|2,1,0]=4 3782 B12R1.125 C[C@@H](O)CNc1ccccc1I 34a_100000210053_100009817552 [0,1,0,0,0,0|2,1,0]=4 3783 B12R1.125 C[C@@H](O)CNc1ccccc1O 34a_100000185747_100009817552 [0,1,0,0,0,0|3,0,0]=4 3784 B12R1.125 C[C@@H](O)COc1ccccc1Br 34a_100000181306_100009817552 [0,1,0,0,0,0|2,1,0]=4 3785 B12R1.125 C[C@@H](O)COc1ccccc1Br 7a_100000181306_100009817552 [0,1,0,0,0,0|2,1,0]=4 3786 B12R1.125 C[C@@H](O)COc1ccccc1Cl 34a_100000210172_100009817552 [0,1,0,0,0,0|2,0,0]=3 3787 B12R1.125 C[C@@H](O)COc1ccccc1Cl 7a_100000210172_100009817552 [0,1,0,0,0,0|2,0,0]=3 3788 B12R1.125 C[C@@H](O)COc1ccccc1F 34a_100000210171_100009817552 [0,1,0,0,0,0|2,1,0]=4 3789 B12R1.125 C[C@@H](O)COc1ccccc1F 7a_100000210171_100009817552 [0,1,0,0,0,0|2,1,0]=4 3790 B12R1.125 C[C@@H](O)COc1ccccc1I 34a_100000739446_100009817552 [0,1,0,0,0,0|2,1,0]=4 3791 B12R1.125 C[C@@H](O)COc1ccccc1I 7a_100000739446_100009817552 [0,1,0,0,0,0|2,1,0]=4 3792 B12R1.125 C[C@@H](O)COc1ccccc1N 34a_100000185747_100009817552 [0,1,0,0,0,0|3,0,0]=4 3793 B12R1.125 C[C@@H](O)COc1ccccc1N 7a_100000185747_100009817552 [0,1,0,0,0,0|3,0,0]=4 3794 B12R1.125 C[C@@H](O)COc1cccnc1Cl 34a_100000757616_100009817552 [0,1,0,0,0,0|3,0,0]=4 3795 B12R1.125 C[C@@H](O)COc1cccnc1Cl 7a_100000757616_100009817552 [0,1,0,0,0,0|3,0,0]=4 3796 B12R1.125 C[C@@H](O)COc1ccncc1Cl 34a_100011997054_100009817552 [0,1,0,0,0,0|3,0,0]=4 3797 B12R1.125 C[C@@H](O)COc1cnccc1Cl 34a_100011996695_100009817552 [0,1,0,0,0,0|3,0,0]=4 3798 B12R1.125 C[C@@H](O)COc1ncccc1Cl 34a_100011290957_100009817552 [0,1,0,0,0,0|3,0,0]=4 3799 B12R1.125 C[C@@H](O)CSc1ccccc1Br 62a_100000695589_100009817552 [0,1,0,0,0,0|2,1,0]=4 3800 B12R1.125 C[C@@H](O)CSc1ccccc1Br 62a_100009817552_100000695589 [0,1,0,0,0,0|2,1,0]=4 3801 B12R1.125 C[C@@H](O)CSc1ccccc1Cl 62a_100000764095_100009817552 [0,1,0,0,0,0|2,0,0]=3 3802 B12R1.125 C[C@@H](O)CSc1ccccc1Cl 62a_100009817552_100000764095 [0,1,0,0,0,0|2,0,0]=3 3803 B12R1.125 C[C@@H](O)CSc1ccccc1F 62a_100009817552_100011215700 [0,1,0,0,0,0|2,1,0]=4 3804 B12R1.125 C[C@@H](O)CSc1ccccc1F 62a_100011215700_100009817552 [0,1,0,0,0,0|2,1,0]=4 3805 B12R1.125 C[C@@H](O)CSc1ccccc1N 62a_100000210017_100009817552 [0,1,0,0,0,0|3,0,0]=4 3806 B12R1.125 C[C@@H](O)CSc1ccccc1N 62a_100009817552_100000210017 [0,1,0,0,0,0|3,0,0]=4 3807 B12R1.125 C[C@@H](O)CSc1ccccc1O 62a_100000739446_100009817552 [0,1,0,0,0,0|3,0,0]=4 3808 B12R1.125 C[C@@H](O)CSc1ccccc1O 62a_100009817552_100000739446 [0,1,0,0,0,0|3,0,0]=4 3809 B12R1.125 C[C@@H](O)CSc1cccnc1Cl 62a_100000036424_100009817552 [0,1,0,0,0,0|3,0,0]=4 3810 B12R1.125 C[C@@H](O)CSc1cccnc1Cl 62a_100009817552_100000036424 [0,1,0,0,0,0|3,0,0]=4 3811 B12R1.125 C[C@@H](O)CSc1ccncc1Cl 62a_100000708259_100009817552 [0,1,0,0,0,0|3,0,0]=4 3812 B12R1.125 C[C@@H](O)CSc1ccncc1Cl 62a_100009817552_100000708259 [0,1,0,0,0,0|3,0,0]=4 3813 B12R1.125 C[C@@H](O)CSc1cnccc1Cl 62a_100009817552_100009995489 [0,1,0,0,0,0|3,0,0]=4 3814 B12R1.125 C[C@@H](O)CSc1cnccc1Cl 62a_100009995489_100009817552 [0,1,0,0,0,0|3,0,0]=4 3815 B12R1.125 C[C@@H](O)CSc1ncccc1Cl 62a_100009817552_100011356963 [0,1,0,0,0,0|3,0,0]=4 3816 B12R1.125 C[C@@H](O)CSc1ncccc1Cl 62a_100011356963_100009817552 [0,1,0,0,0,0|3,0,0]=4 3817 B12R1.125 Cc1ccccc1CCC(=O)[13CH3] 1458a_100000748742_200025704644 [0,1,0,0,0,0|2,0,0]=3 3818 B12R1.125 Cc1ccccc1CCN(C)C 2230a_100102631434_100011713688 [0,1,0,0,0,0|1,0,0]=2 3819 B12R1.125 Cc1ccccc1CCN(C)C 269982a_100102631434_100011713688 [0,1,0,0,0,0|1,0,0]=2 3820 B12R1.125 Cc1ccccc1CNC(C)C 207a_100138425928_100000211143 [0,1,0,0,0,0|3,0,0]=4 3821 B12R1.125 Cc1ccccc1CNC(C)C 2230a_100138425928_100000211839 [0,1,0,0,0,0|3,0,0]=4 3822 B12R1.125 Cc1ccccc1CNC(C)C 34a_100000174972_100000210206 [0,1,0,0,0,0|3,0,0]=4 3823 B12R1.125 Cc1ccccc1CNC(C)C 34a_100138425928_100000211839 [0,1,0,0,0,0|3,0,0]=4 3824 B12R1.125 Cc1ccccc1COC(C)C 34a_100000212225_100000211839 [0,1,0,0,0,0|3,0,0]=4 3825 B12R1.125 Cc1ccccc1COC(C)C 34a_100000698903_100000210206 [0,1,0,0,0,0|3,0,0]=4 3826 B12R1.125 Cc1ccccc1COC(C)C 7a_100000698903_100000210206 [0,1,0,0,0,0|3,0,0]=4 3827 B12R1.125 Cc1ccccc1CSC(C)C 62a_100000210206_100000211839 [0,1,0,0,0,0|3,0,0]=4 3828 B12R1.125 Cc1ccccc1CSC(C)C 62a_100000211839_100000210206 [0,1,0,0,0,0|3,0,0]=4 3829 B12R1.125 Cc1ccccc1NCC(C)C 34a_100015192222_100000210624 [0,1,0,0,0,0|3,0,0]=4 3830 B12R1.125 Cc1ccccc1NCC(C)O 34a_100015192222_100011218427 [0,1,0,0,0,0|3,0,0]=4 3831 B12R1.125 Cc1ccccc1NC[C@@H](C)O 34a_100015192222_100009817552 [0,1,0,0,0,0|3,0,0]=4 3832 B12R1.125 Cc1ccccc1OCC(=O)[13CH3] 1458a_100000182418_200025704644 [0,1,0,0,0,0|3,0,0]=4 3833 B12R1.125 Cc1ccccc1OCC(C)C 34a_100000210338_100000210624 [0,1,0,0,0,0|3,0,0]=4 3834 B12R1.125 Cc1ccccc1OCC(C)C 7a_100000210338_100000210760 [0,1,0,0,0,0|3,0,0]=4 3835 B12R1.125 Cc1ccccc1OCC(C)O 34a_100000210338_100011218427 [0,1,0,0,0,0|3,0,0]=4 3836 B12R1.125 Cc1ccccc1OCC(C)O 7a_100000210338_100011218427 [0,1,0,0,0,0|3,0,0]=4 3837 B12R1.125 Cc1ccccc1OC[C@@H](C)O 34a_100000210338_100009817552 [0,1,0,0,0,0|3,0,0]=4 3838 B12R1.125 Cc1ccccc1OC[C@@H](C)O 7a_100000210338_100009817552 [0,1,0,0,0,0|3,0,0]=4 3839 B12R1.125 Cc1ccccc1SCC(=O)[13CH3] 1458a_100000183026_200025704644 [0,1,0,0,0,0|3,0,0]=4 3840 B12R1.125 Cc1ccccc1SCC(C)C 62a_100000210624_100000210755 [0,1,0,0,0,0|3,0,0]=4 3841 B12R1.125 Cc1ccccc1SCC(C)C 62a_100000210755_100000210760 [0,1,0,0,0,0|3,0,0]=4 3842 B12R1.125 Cc1ccccc1SCC(C)O 62a_100000210755_100011218427 [0,1,0,0,0,0|3,0,0]=4 3843 B12R1.125 Cc1ccccc1SCC(C)O 62a_100011218427_100000210755 [0,1,0,0,0,0|3,0,0]=4 3844 B12R1.125 Cc1ccccc1SC[C@@H](C)O 62a_100000210755_100009817552 [0,1,0,0,0,0|3,0,0]=4 3845 B12R1.125 Cc1ccccc1SC[C@@H](C)O 62a_100009817552_100000210755 [0,1,0,0,0,0|3,0,0]=4 3846 B12R1.125 FC(F)CNc1ccccc1Cl 34a_100000185783_100011934356 [0,1,0,0,0,0|3,0,0]=4 3847 B12R1.125 FC(F)COc1ccccc1Cl 34a_100000210172_100011934356 [0,1,0,0,0,0|3,0,0]=4 3848 B12R1.125 FC(F)COc1ccccc1Cl 7a_100000210172_100011934356 [0,1,0,0,0,0|3,0,0]=4 3849 B12R1.125 FC(F)CSc1ccccc1Cl 62a_100000764095_100011934356 [0,1,0,0,0,0|3,0,0]=4 3850 B12R1.125 FC(F)CSc1ccccc1Cl 62a_100011934356_100000764095 [0,1,0,0,0,0|3,0,0]=4 3851 B12R1.125 NC(=O)CCc1ccccc1O 271570a_203496583355_100009814947 [0,1,0,0,0,0|3,0,0]=4 3852 B12R1.125 NC(=O)CNc1ccccc1Cl 34a_100000185783_100000187820 [0,1,0,0,0,0|3,0,0]=4 3853 B12R1.125 NC(=O)COc1ccccc1Cl 34a_100000210172_100000187820 [0,1,0,0,0,0|3,0,0]=4 3854 B12R1.125 NC(=O)COc1ccccc1Cl 7a_100000210172_100000187820 [0,1,0,0,0,0|3,0,0]=4 3855 B12R1.125 NC(=O)CSc1ccccc1Cl 62a_100000747473_100000764095 [0,1,0,0,0,0|3,0,0]=4 3856 B12R1.125 NC(=O)CSc1ccccc1Cl 62a_100000764095_100000747473 [0,1,0,0,0,0|3,0,0]=4 3857 B12R1.125 O=C([O-])CNc1ccccc1Cl 34a_100000185783_100020667443 [0,1,0,0,0,0|3,0,0]=4 3858 B12R1.125 O=C([O-])COc1ccccc1Cl 34a_100000210172_100020667443 [0,1,0,0,0,0|3,0,0]=4 3859 B12R1.125 O=C([O-])CSc1ccccc1Cl 62a_100000764095_100020667443 [0,1,0,0,0,0|3,0,0]=4 3860 B12R1.125 O=C([O-])CSc1ccccc1Cl 62a_100020667443_100000764095 [0,1,0,0,0,0|3,0,0]=4 3861 B12R1.125 O=[N+]([O-])CNc1ccccc1Cl 34a_100000185783_100000761209 [0,1,0,0,0,0|2,0,1]=4 3862 B12R1.125 O=[N+]([O-])COc1ccccc1Cl 34a_100000210172_100000761209 [0,1,0,0,0,0|2,0,1]=4 3863 B12R1.125 O=[N+]([O-])CSc1ccccc1Cl 62a_100000764095_100000761209 [0,1,0,0,0,0|2,0,1]=4 3864 B12R1.125 [13CH3]C(=O)C=Cc1ccccc1Cl 1458a_100000720304_200025704644 [0,1,0,0,0,0|1,0,2]=4 3865 B12R1.125 [13CH3]C(=O)CCc1ccccc1Br 1458a_100000740810_200025704644 [0,1,0,0,0,0|1,1,0]=3 3866 B12R1.125 [13CH3]C(=O)CCc1ccccc1Cl 1458a_100000184300_200025704644 [0,1,0,0,0,0|1,0,0]=2 3867 B12R1.125 [13CH3]C(=O)CCc1ccccc1F 1458a_100000189703_200025704644 [0,1,0,0,0,0|1,1,0]=3 3868 B12R1.125 [13CH3]C(=O)CCc1ccccc1I 1458a_100000037306_200025704644 [0,1,0,0,0,0|1,1,0]=3 3869 B12R1.125 [13CH3]C(=O)CCc1ccccc1O 1458a_100000181328_200025704644 [0,1,0,0,0,0|2,0,0]=3 3870 B12R1.125 [13CH3]C(=O)CCn1ccccc1=O 1458a_100000738505_200025704644 [0,1,0,0,0,0|3,0,0]=4 3871 B12R1.125 [13CH3]C(=O)COc1ccccc1Br 1458a_100000216496_200025704644 [0,1,0,0,0,0|2,1,0]=4 3872 B12R1.125 [13CH3]C(=O)COc1ccccc1Cl 1458a_100000185159_200025704644 [0,1,0,0,0,0|2,0,0]=3 3873 B12R1.125 [13CH3]C(=O)COc1ccccc1F 1458a_100000182486_200025704644 [0,1,0,0,0,0|2,1,0]=4 3874 B12R1.125 [13CH3]C(=O)COc1ccccc1O 1458a_100000183020_200025704644 [0,1,0,0,0,0|3,0,0]=4 3875 B12R1.125 [13CH3]C(=O)CSc1ccccc1F 1458a_100000179528_200025704644 [0,1,0,0,0,0|2,1,0]=4 3876 B12R1.125 [13CH3]C(=O)CSc1ccccc1O 1458a_100000695322_200025704644 [0,1,0,0,0,0|3,0,0]=4 3877 B12R1.267 BrCCOCc1ccccc1Br 34a_100000211926_100000184730 [0,1,0,0,0,0|2,1,0]=4 3878 B12R1.267 BrCCOCc1ccccc1I 34a_100000211926_100011215278 [0,1,0,0,0,0|2,1,0]=4 3879 B12R1.267 C#CCCNc1ccccc1Br 34a_100000210017_100000688953 [0,1,0,0,0,0|1,1,1]=4 3880 B12R1.267 C#CCCNc1ccccc1C 34a_100015192222_100000688953 [0,1,0,0,0,0|2,0,1]=4 3881 B12R1.267 C#CCCNc1ccccc1Cl 34a_100000185783_100000688953 [0,1,0,0,0,0|1,0,1]=3 3882 B12R1.267 C#CCCNc1ccccc1F 34a_100000210422_100000688953 [0,1,0,0,0,0|1,1,1]=4 3883 B12R1.267 C#CCCNc1ccccc1I 34a_100000210053_100000688953 [0,1,0,0,0,0|1,1,1]=4 3884 B12R1.267 C#CCCNc1ccccc1O 34a_100000185747_100000688953 [0,1,0,0,0,0|2,0,1]=4 3885 B12R1.267 C#CCCOc1ccccc1Br 34a_100000181306_100000688953 [0,1,0,0,0,0|1,1,1]=4 3886 B12R1.267 C#CCCOc1ccccc1Br 7a_100000181306_100000688953 [0,1,0,0,0,0|1,1,1]=4 3887 B12R1.267 C#CCCOc1ccccc1C 34a_100000210338_100000688953 [0,1,0,0,0,0|2,0,1]=4 3888 B12R1.267 C#CCCOc1ccccc1C 7a_100000210338_100000688953 [0,1,0,0,0,0|2,0,1]=4 3889 B12R1.267 C#CCCOc1ccccc1Cl 34a_100000210172_100000688953 [0,1,0,0,0,0|1,0,1]=3 3890 B12R1.267 C#CCCOc1ccccc1Cl 7a_100000210172_100000688953 [0,1,0,0,0,0|1,0,1]=3 3891 B12R1.267 C#CCCOc1ccccc1F 34a_100000210171_100000688953 [0,1,0,0,0,0|1,1,1]=4 3892 B12R1.267 C#CCCOc1ccccc1F 7a_100000210171_100000688953 [0,1,0,0,0,0|1,1,1]=4 3893 B12R1.267 C#CCCOc1ccccc1I 34a_100000739446_100000688953 [0,1,0,0,0,0|1,1,1]=4 3894 B12R1.267 C#CCCOc1ccccc1I 7a_100000739446_100000688953 [0,1,0,0,0,0|1,1,1]=4 3895 B12R1.267 C#CCCOc1ccccc1N 34a_100000185747_100000688953 [0,1,0,0,0,0|2,0,1]=4 3896 B12R1.267 C#CCCOc1ccccc1N 7a_100000185747_100000688953 [0,1,0,0,0,0|2,0,1]=4 3897 B12R1.267 C#CCCOc1cccnc1Cl 34a_100000757616_100000688953 [0,1,0,0,0,0|2,0,1]=4 3898 B12R1.267 C#CCCOc1cccnc1Cl 7a_100000757616_100000688953 [0,1,0,0,0,0|2,0,1]=4 3899 B12R1.267 C#CCCOc1ccncc1Cl 34a_100011997054_100000688953 [0,1,0,0,0,0|2,0,1]=4 3900 B12R1.267 C#CCCOc1cnccc1Cl 34a_100011996695_100000688953 [0,1,0,0,0,0|2,0,1]=4 3901 B12R1.267 C#CCCOc1ncccc1Cl 34a_100011290957_100000688953 [0,1,0,0,0,0|2,0,1]=4 3902 B12R1.267 C#CCCSc1ccccc1Br 62a_100000688953_100000695589 [0,1,0,0,0,0|1,1,1]=4 3903 B12R1.267 C#CCCSc1ccccc1Br 62a_100000695589_100000688953 [0,1,0,0,0,0|1,1,1]=4 3904 B12R1.267 C#CCCSc1ccccc1C 62a_100000210755_100000688953 [0,1,0,0,0,0|2,0,1]=4 3905 B12R1.267 C#CCCSc1ccccc1C 62a_100000688953_100000210755 [0,1,0,0,0,0|2,0,1]=4 3906 B12R1.267 C#CCCSc1ccccc1Cl 62a_100000688953_100000764095 [0,1,0,0,0,0|1,0,1]=3 3907 B12R1.267 C#CCCSc1ccccc1Cl 62a_100000764095_100000688953 [0,1,0,0,0,0|1,0,1]=3 3908 B12R1.267 C#CCCSc1ccccc1F 62a_100000688953_100011215700 [0,1,0,0,0,0|1,1,1]=4 3909 B12R1.267 C#CCCSc1ccccc1F 62a_100011215700_100000688953 [0,1,0,0,0,0|1,1,1]=4 3910 B12R1.267 C#CCCSc1ccccc1N 62a_100000210017_100000688953 [0,1,0,0,0,0|2,0,1]=4 3911 B12R1.267 C#CCCSc1ccccc1N 62a_100000688953_100000210017 [0,1,0,0,0,0|2,0,1]=4 3912 B12R1.267 C#CCCSc1ccccc1O 62a_100000688953_100000739446 [0,1,0,0,0,0|2,0,1]=4 3913 B12R1.267 C#CCCSc1ccccc1O 62a_100000739446_100000688953 [0,1,0,0,0,0|2,0,1]=4 3914 B12R1.267 C#CCCSc1cccnc1Cl 62a_100000036424_100000688953 [0,1,0,0,0,0|2,0,1]=4 3915 B12R1.267 C#CCCSc1cccnc1Cl 62a_100000688953_100000036424 [0,1,0,0,0,0|2,0,1]=4 3916 B12R1.267 C#CCCSc1ccncc1Cl 62a_100000688953_100000708259 [0,1,0,0,0,0|2,0,1]=4 3917 B12R1.267 C#CCCSc1ccncc1Cl 62a_100000708259_100000688953 [0,1,0,0,0,0|2,0,1]=4 3918 B12R1.267 C#CCCSc1cnccc1Cl 62a_100000688953_100009995489 [0,1,0,0,0,0|2,0,1]=4 3919 B12R1.267 C#CCCSc1cnccc1Cl 62a_100009995489_100000688953 [0,1,0,0,0,0|2,0,1]=4 3920 B12R1.267 C#CCCSc1ncccc1Cl 62a_100000688953_100011356963 [0,1,0,0,0,0|2,0,1]=4 3921 B12R1.267 C#CCCSc1ncccc1Cl 62a_100011356963_100000688953 [0,1,0,0,0,0|2,0,1]=4 3922 B12R1.267 C#CCNCc1ccccc1Br 2230a_100000689332_100000038162 [0,1,0,0,0,0|1,1,1]=4 3923 B12R1.267 C#CCNCc1ccccc1Br 34a_100000212058_100000184730 [0,1,0,0,0,0|1,1,1]=4 3924 B12R1.267 C#CCNCc1ccccc1Br 34a_100000689332_100000184674 [0,1,0,0,0,0|1,1,1]=4 3925 B12R1.267 C#CCNCc1ccccc1C 34a_100000174972_100000184674 [0,1,0,0,0,0|2,0,1]=4 3926 B12R1.267 C#CCNCc1ccccc1C 34a_100000212058_100000211839 [0,1,0,0,0,0|2,0,1]=4 3927 B12R1.267 C#CCNCc1ccccc1Cl 2230a_100000174879_100000038162 [0,1,0,0,0,0|1,0,1]=3 3928 B12R1.267 C#CCNCc1ccccc1Cl 34a_100000174879_100000184674 [0,1,0,0,0,0|1,0,1]=3 3929 B12R1.267 C#CCNCc1ccccc1Cl 34a_100000212058_100000187162 [0,1,0,0,0,0|1,0,1]=3 3930 B12R1.267 C#CCNCc1ccccc1F 34a_100000174869_100000184674 [0,1,0,0,0,0|1,1,1]=4 3931 B12R1.267 C#CCNCc1ccccc1F 34a_100000212058_100000211605 [0,1,0,0,0,0|1,1,1]=4 3932 B12R1.267 C#CCNCc1ccccc1I 34a_100000212058_100011215278 [0,1,0,0,0,0|1,1,1]=4 3933 B12R1.267 C#CCNCc1ccccc1O 34a_100000185550_100000184674 [0,1,0,0,0,0|2,0,1]=4 3934 B12R1.267 C#CCNCc1cccnc1Cl 2230a_100015189234_100000038162 [0,1,0,0,0,0|2,0,1]=4 3935 B12R1.267 C#CCNCc1cccnc1Cl 34a_100000212058_100000045678 [0,1,0,0,0,0|2,0,1]=4 3936 B12R1.267 C#CCNCc1cccnc1Cl 34a_100015189234_100000184674 [0,1,0,0,0,0|2,0,1]=4 3937 B12R1.267 C#CCNCc1ncccc1Cl 2230a_100015189233_100000038162 [0,1,0,0,0,0|2,0,1]=4 3938 B12R1.267 C#CCOCc1ccccc1Br 34a_100000210247_100000184730 [0,1,0,0,0,0|1,1,1]=4 3939 B12R1.267 C#CCOCc1ccccc1Br 34a_100000756307_100000184674 [0,1,0,0,0,0|1,1,1]=4 3940 B12R1.267 C#CCOCc1ccccc1Br 7a_100000756307_100000038162 [0,1,0,0,0,0|1,1,1]=4 3941 B12R1.267 C#CCOCc1ccccc1C 34a_100000210247_100000211839 [0,1,0,0,0,0|2,0,1]=4 3942 B12R1.267 C#CCOCc1ccccc1C 34a_100000698903_100000184674 [0,1,0,0,0,0|2,0,1]=4 3943 B12R1.267 C#CCOCc1ccccc1C 7a_100000698903_100000038162 [0,1,0,0,0,0|2,0,1]=4 3944 B12R1.267 C#CCOCc1ccccc1Cl 34a_100000210247_100000187162 [0,1,0,0,0,0|1,0,1]=3 3945 B12R1.267 C#CCOCc1ccccc1Cl 34a_100000210847_100000184674 [0,1,0,0,0,0|1,0,1]=3 3946 B12R1.267 C#CCOCc1ccccc1Cl 7a_100000210847_100000038162 [0,1,0,0,0,0|1,0,1]=3 3947 B12R1.267 C#CCOCc1ccccc1F 34a_100000210247_100000211605 [0,1,0,0,0,0|1,1,1]=4 3948 B12R1.267 C#CCOCc1ccccc1F 34a_100000211962_100000184674 [0,1,0,0,0,0|1,1,1]=4 3949 B12R1.267 C#CCOCc1ccccc1F 7a_100000211962_100000038162 [0,1,0,0,0,0|1,1,1]=4 3950 B12R1.267 C#CCOCc1ccccc1I 34a_100000187465_100000184674 [0,1,0,0,0,0|1,1,1]=4 3951 B12R1.267 C#CCOCc1ccccc1I 34a_100000210247_100011215278 [0,1,0,0,0,0|1,1,1]=4 3952 B12R1.267 C#CCOCc1ccccc1I 7a_100000187465_100000038162 [0,1,0,0,0,0|1,1,1]=4 3953 B12R1.267 C#CCOCc1ccccc1N 34a_100000212039_100000184674 [0,1,0,0,0,0|2,0,1]=4 3954 B12R1.267 C#CCOCc1cccnc1Cl 34a_100000210247_100000045678 [0,1,0,0,0,0|2,0,1]=4 3955 B12R1.267 C#CCOCc1cccnc1Cl 34a_100000748726_100000184674 [0,1,0,0,0,0|2,0,1]=4 3956 B12R1.267 C#CCOCc1cccnc1Cl 7a_100000748726_100000038162 [0,1,0,0,0,0|2,0,1]=4 3957 B12R1.267 C#CCOCc1cnccc1Cl 34a_100000117392_100000184674 [0,1,0,0,0,0|2,0,1]=4 3958 B12R1.267 C#CCOCc1ncccc1Cl 34a_100012002383_100000184674 [0,1,0,0,0,0|2,0,1]=4 3959 B12R1.267 C#CCSCc1ccccc1Br 62a_100000038162_100000184730 [0,1,0,0,0,0|1,1,1]=4 3960 B12R1.267 C#CCSCc1ccccc1C 62a_100000038162_100000211839 [0,1,0,0,0,0|2,0,1]=4 3961 B12R1.267 C#CCSCc1ccccc1Cl 62a_100000038162_100000187162 [0,1,0,0,0,0|1,0,1]=3 3962 B12R1.267 C#CCSCc1ccccc1F 62a_100000038162_100000211605 [0,1,0,0,0,0|1,1,1]=4 3963 B12R1.267 C#CCSCc1ccccc1I 62a_100000038162_100011216222 [0,1,0,0,0,0|1,1,1]=4 3964 B12R1.267 C#CCSCc1cccnc1Cl 62a_100000038162_100000045678 [0,1,0,0,0,0|2,0,1]=4 3965 B12R1.267 C#CCSCc1ccncc1Cl 62a_100000038162_100000763264 [0,1,0,0,0,0|2,0,1]=4 3966 B12R1.267 C#CCSCc1ncccc1Cl 62a_100000038162_100000099807 [0,1,0,0,0,0|2,0,1]=4 3967 B12R1.267 C/C=C/CNc1ccccc1Br 34a_100000210017_100102629194 [0,1,0,0,0,0|1,1,1]=4 3968 B12R1.267 C/C=C/CNc1ccccc1C 34a_100015192222_100102629194 [0,1,0,0,0,0|2,0,1]=4 3969 B12R1.267 C/C=C/CNc1ccccc1Cl 34a_100000185783_100102629194 [0,1,0,0,0,0|1,0,1]=3 3970 B12R1.267 C/C=C/CNc1ccccc1F 34a_100000210422_100102629194 [0,1,0,0,0,0|1,1,1]=4 3971 B12R1.267 C/C=C/CNc1ccccc1I 34a_100000210053_100102629194 [0,1,0,0,0,0|1,1,1]=4 3972 B12R1.267 C/C=C/CNc1ccccc1O 34a_100000185747_100102629194 [0,1,0,0,0,0|2,0,1]=4 3973 B12R1.267 C/C=C/COc1ccccc1Br 34a_100000181306_100102629194 [0,1,0,0,0,0|1,1,1]=4 3974 B12R1.267 C/C=C/COc1ccccc1Br 7a_100000181306_100102629194 [0,1,0,0,0,0|1,1,1]=4 3975 B12R1.267 C/C=C/COc1ccccc1C 34a_100000210338_100102629194 [0,1,0,0,0,0|2,0,1]=4 3976 B12R1.267 C/C=C/COc1ccccc1C 7a_100000210338_100102629194 [0,1,0,0,0,0|2,0,1]=4 3977 B12R1.267 C/C=C/COc1ccccc1Cl 34a_100000210172_100102629194 [0,1,0,0,0,0|1,0,1]=3 3978 B12R1.267 C/C=C/COc1ccccc1Cl 7a_100000210172_100102629194 [0,1,0,0,0,0|1,0,1]=3 3979 B12R1.267 C/C=C/COc1ccccc1F 34a_100000210171_100102629194 [0,1,0,0,0,0|1,1,1]=4 3980 B12R1.267 C/C=C/COc1ccccc1F 7a_100000210171_100102629194 [0,1,0,0,0,0|1,1,1]=4 3981 B12R1.267 C/C=C/COc1ccccc1I 34a_100000739446_100102629194 [0,1,0,0,0,0|1,1,1]=4 3982 B12R1.267 C/C=C/COc1ccccc1I 7a_100000739446_100102629194 [0,1,0,0,0,0|1,1,1]=4 3983 B12R1.267 C/C=C/COc1ccccc1N 34a_100000185747_100102629194 [0,1,0,0,0,0|2,0,1]=4 3984 B12R1.267 C/C=C/COc1ccccc1N 7a_100000185747_100102629194 [0,1,0,0,0,0|2,0,1]=4 3985 B12R1.267 C/C=C/COc1cccnc1Cl 34a_100000757616_100102629194 [0,1,0,0,0,0|2,0,1]=4 3986 B12R1.267 C/C=C/COc1cccnc1Cl 7a_100000757616_100102629194 [0,1,0,0,0,0|2,0,1]=4 3987 B12R1.267 C/C=C/COc1ccncc1Cl 34a_100011997054_100102629194 [0,1,0,0,0,0|2,0,1]=4 3988 B12R1.267 C/C=C/COc1cnccc1Cl 34a_100011996695_100102629194 [0,1,0,0,0,0|2,0,1]=4 3989 B12R1.267 C/C=C/COc1ncccc1Cl 34a_100011290957_100102629194 [0,1,0,0,0,0|2,0,1]=4 3990 B12R1.267 C/C=C/CSc1ccccc1Br 62a_100000695589_100102629194 [0,1,0,0,0,0|1,1,1]=4 3991 B12R1.267 C/C=C/CSc1ccccc1Br 62a_100102629194_100000695589 [0,1,0,0,0,0|1,1,1]=4 3992 B12R1.267 C/C=C/CSc1ccccc1C 62a_100000210755_100102629194 [0,1,0,0,0,0|2,0,1]=4 3993 B12R1.267 C/C=C/CSc1ccccc1C 62a_100102629194_100000210755 [0,1,0,0,0,0|2,0,1]=4 3994 B12R1.267 C/C=C/CSc1ccccc1Cl 62a_100000764095_100102629194 [0,1,0,0,0,0|1,0,1]=3 3995 B12R1.267 C/C=C/CSc1ccccc1Cl 62a_100102629194_100000764095 [0,1,0,0,0,0|1,0,1]=3 3996 B12R1.267 C/C=C/CSc1ccccc1F 62a_100011215700_100102629194 [0,1,0,0,0,0|1,1,1]=4 3997 B12R1.267 C/C=C/CSc1ccccc1F 62a_100102629194_100011215700 [0,1,0,0,0,0|1,1,1]=4 3998 B12R1.267 C/C=C/CSc1ccccc1N 62a_100000210017_100102629194 [0,1,0,0,0,0|2,0,1]=4 3999 B12R1.267 C/C=C/CSc1ccccc1N 62a_100102629194_100000210017 [0,1,0,0,0,0|2,0,1]=4 4000 B12R1.267 C/C=C/CSc1ccccc1O 62a_100000739446_100102629194 [0,1,0,0,0,0|2,0,1]=4 4001 B12R1.267 C/C=C/CSc1ccccc1O 62a_100102629194_100000739446 [0,1,0,0,0,0|2,0,1]=4 4002 B12R1.267 C/C=C/CSc1cccnc1Cl 62a_100000036424_100102629194 [0,1,0,0,0,0|2,0,1]=4 4003 B12R1.267 C/C=C/CSc1cccnc1Cl 62a_100102629194_100000036424 [0,1,0,0,0,0|2,0,1]=4 4004 B12R1.267 C/C=C/CSc1ccncc1Cl 62a_100000708259_100102629194 [0,1,0,0,0,0|2,0,1]=4 4005 B12R1.267 C/C=C/CSc1ccncc1Cl 62a_100102629194_100000708259 [0,1,0,0,0,0|2,0,1]=4 4006 B12R1.267 C/C=C/CSc1cnccc1Cl 62a_100009995489_100102629194 [0,1,0,0,0,0|2,0,1]=4 4007 B12R1.267 C/C=C/CSc1cnccc1Cl 62a_100102629194_100009995489 [0,1,0,0,0,0|2,0,1]=4 4008 B12R1.267 C/C=C/CSc1ncccc1Cl 62a_100011356963_100102629194 [0,1,0,0,0,0|2,0,1]=4 4009 B12R1.267 C/C=C/CSc1ncccc1Cl 62a_100102629194_100011356963 [0,1,0,0,0,0|2,0,1]=4 4010 B12R1.267 C=CCCNc1ccccc1Br 34a_100000210017_100000754431 [0,1,0,0,0,0|1,1,1]=4 4011 B12R1.267 C=CCCNc1ccccc1C 34a_100015192222_100000754431 [0,1,0,0,0,0|2,0,1]=4 4012 B12R1.267 C=CCCNc1ccccc1Cl 34a_100000185783_100000754431 [0,1,0,0,0,0|1,0,1]=3 4013 B12R1.267 C=CCCNc1ccccc1F 34a_100000210422_100000754431 [0,1,0,0,0,0|1,1,1]=4 4014 B12R1.267 C=CCCNc1ccccc1I 34a_100000210053_100000754431 [0,1,0,0,0,0|1,1,1]=4 4015 B12R1.267 C=CCCNc1ccccc1O 34a_100000185747_100000754431 [0,1,0,0,0,0|2,0,1]=4 4016 B12R1.267 C=CCCOc1ccccc1Br 34a_100000181306_100000754431 [0,1,0,0,0,0|1,1,1]=4 4017 B12R1.267 C=CCCOc1ccccc1Br 7a_100000181306_100000754431 [0,1,0,0,0,0|1,1,1]=4 4018 B12R1.267 C=CCCOc1ccccc1C 34a_100000210338_100000754431 [0,1,0,0,0,0|2,0,1]=4 4019 B12R1.267 C=CCCOc1ccccc1C 7a_100000210338_100000754431 [0,1,0,0,0,0|2,0,1]=4 4020 B12R1.267 C=CCCOc1ccccc1Cl 34a_100000210172_100000754431 [0,1,0,0,0,0|1,0,1]=3 4021 B12R1.267 C=CCCOc1ccccc1Cl 7a_100000210172_100000754431 [0,1,0,0,0,0|1,0,1]=3 4022 B12R1.267 C=CCCOc1ccccc1F 34a_100000210171_100000754431 [0,1,0,0,0,0|1,1,1]=4 4023 B12R1.267 C=CCCOc1ccccc1F 7a_100000210171_100000754431 [0,1,0,0,0,0|1,1,1]=4 4024 B12R1.267 C=CCCOc1ccccc1I 34a_100000739446_100000754431 [0,1,0,0,0,0|1,1,1]=4 4025 B12R1.267 C=CCCOc1ccccc1I 7a_100000739446_100000754431 [0,1,0,0,0,0|1,1,1]=4 4026 B12R1.267 C=CCCOc1ccccc1N 34a_100000185747_100000754431 [0,1,0,0,0,0|2,0,1]=4 4027 B12R1.267 C=CCCOc1ccccc1N 7a_100000185747_100000754431 [0,1,0,0,0,0|2,0,1]=4 4028 B12R1.267 C=CCCOc1cccnc1Cl 34a_100000757616_100000754431 [0,1,0,0,0,0|2,0,1]=4 4029 B12R1.267 C=CCCOc1cccnc1Cl 7a_100000757616_100000754431 [0,1,0,0,0,0|2,0,1]=4 4030 B12R1.267 C=CCCOc1ccncc1Cl 34a_100011997054_100000754431 [0,1,0,0,0,0|2,0,1]=4 4031 B12R1.267 C=CCCOc1cnccc1Cl 34a_100011996695_100000754431 [0,1,0,0,0,0|2,0,1]=4 4032 B12R1.267 C=CCCOc1ncccc1Cl 34a_100011290957_100000754431 [0,1,0,0,0,0|2,0,1]=4 4033 B12R1.267 C=CCCSc1ccccc1Br 62a_100000695589_100000754431 [0,1,0,0,0,0|1,1,1]=4 4034 B12R1.267 C=CCCSc1ccccc1Br 62a_100000754431_100000695589 [0,1,0,0,0,0|1,1,1]=4 4035 B12R1.267 C=CCCSc1ccccc1C 62a_100000210755_100000754431 [0,1,0,0,0,0|2,0,1]=4 4036 B12R1.267 C=CCCSc1ccccc1C 62a_100000754431_100000210755 [0,1,0,0,0,0|2,0,1]=4 4037 B12R1.267 C=CCCSc1ccccc1Cl 62a_100000754431_100000764095 [0,1,0,0,0,0|1,0,1]=3 4038 B12R1.267 C=CCCSc1ccccc1Cl 62a_100000764095_100000754431 [0,1,0,0,0,0|1,0,1]=3 4039 B12R1.267 C=CCCSc1ccccc1F 62a_100000754431_100011215700 [0,1,0,0,0,0|1,1,1]=4 4040 B12R1.267 C=CCCSc1ccccc1F 62a_100011215700_100000754431 [0,1,0,0,0,0|1,1,1]=4 4041 B12R1.267 C=CCCSc1ccccc1N 62a_100000210017_100000754431 [0,1,0,0,0,0|2,0,1]=4 4042 B12R1.267 C=CCCSc1ccccc1N 62a_100000754431_100000210017 [0,1,0,0,0,0|2,0,1]=4 4043 B12R1.267 C=CCCSc1ccccc1O 62a_100000739446_100000754431 [0,1,0,0,0,0|2,0,1]=4 4044 B12R1.267 C=CCCSc1ccccc1O 62a_100000754431_100000739446 [0,1,0,0,0,0|2,0,1]=4 4045 B12R1.267 C=CCCSc1cccnc1Cl 62a_100000036424_100000754431 [0,1,0,0,0,0|2,0,1]=4 4046 B12R1.267 C=CCCSc1cccnc1Cl 62a_100000754431_100000036424 [0,1,0,0,0,0|2,0,1]=4 4047 B12R1.267 C=CCCSc1ccncc1Cl 62a_100000708259_100000754431 [0,1,0,0,0,0|2,0,1]=4 4048 B12R1.267 C=CCCSc1ccncc1Cl 62a_100000754431_100000708259 [0,1,0,0,0,0|2,0,1]=4 4049 B12R1.267 C=CCCSc1cnccc1Cl 62a_100000754431_100009995489 [0,1,0,0,0,0|2,0,1]=4 4050 B12R1.267 C=CCCSc1cnccc1Cl 62a_100009995489_100000754431 [0,1,0,0,0,0|2,0,1]=4 4051 B12R1.267 C=CCCSc1ncccc1Cl 62a_100000754431_100011356963 [0,1,0,0,0,0|2,0,1]=4 4052 B12R1.267 C=CCCSc1ncccc1Cl 62a_100011356963_100000754431 [0,1,0,0,0,0|2,0,1]=4 4053 B12R1.267 C=CCNCc1ccccc1Br 2230a_100000689332_100000210623 [0,1,0,0,0,0|1,1,1]=4 4054 B12R1.267 C=CCNCc1ccccc1Br 2230a_100020586998_100000184730 [0,1,0,0,0,0|1,1,1]=4 4055 B12R1.267 C=CCNCc1ccccc1Br 270004a_100020586998_100000211189 [0,1,0,0,0,0|1,1,1]=4 4056 B12R1.267 C=CCNCc1ccccc1Br 34a_100000689332_100015514636 [0,1,0,0,0,0|1,1,1]=4 4057 B12R1.267 C=CCNCc1ccccc1C 2230a_100020586998_100000211839 [0,1,0,0,0,0|2,0,1]=4 4058 B12R1.267 C=CCNCc1ccccc1C 270004a_100020586998_100000211143 [0,1,0,0,0,0|2,0,1]=4 4059 B12R1.267 C=CCNCc1ccccc1C 34a_100000174972_100015514636 [0,1,0,0,0,0|2,0,1]=4 4060 B12R1.267 C=CCNCc1ccccc1Cl 2230a_100000174879_100000210623 [0,1,0,0,0,0|1,0,1]=3 4061 B12R1.267 C=CCNCc1ccccc1Cl 2230a_100020586998_100000187162 [0,1,0,0,0,0|1,0,1]=3 4062 B12R1.267 C=CCNCc1ccccc1Cl 270004a_100020586998_100000210073 [0,1,0,0,0,0|1,0,1]=3 4063 B12R1.267 C=CCNCc1ccccc1Cl 34a_100000174879_100015514636 [0,1,0,0,0,0|1,0,1]=3 4064 B12R1.267 C=CCNCc1ccccc1F 2230a_100020586998_100000211605 [0,1,0,0,0,0|1,1,1]=4 4065 B12R1.267 C=CCNCc1ccccc1F 270004a_100020586998_100000210811 [0,1,0,0,0,0|1,1,1]=4 4066 B12R1.267 C=CCNCc1ccccc1F 34a_100000174869_100015514636 [0,1,0,0,0,0|1,1,1]=4 4067 B12R1.267 C=CCNCc1ccccc1I 2230a_100020586998_100011215278 [0,1,0,0,0,0|1,1,1]=4 4068 B12R1.267 C=CCNCc1ccccc1I 270004a_100020586998_100000010305 [0,1,0,0,0,0|1,1,1]=4 4069 B12R1.267 C=CCNCc1ccccc1O 34a_100000185550_100015514636 [0,1,0,0,0,0|2,0,1]=4 4070 B12R1.267 C=CCNCc1cccnc1Cl 2230a_100015189234_100000210623 [0,1,0,0,0,0|2,0,1]=4 4071 B12R1.267 C=CCNCc1cccnc1Cl 2230a_100020586998_100000045678 [0,1,0,0,0,0|2,0,1]=4 4072 B12R1.267 C=CCNCc1cccnc1Cl 34a_100015189234_100015514636 [0,1,0,0,0,0|2,0,1]=4 4073 B12R1.267 C=CCNCc1ccncc1Cl 2230a_100020586998_100000763264 [0,1,0,0,0,0|2,0,1]=4 4074 B12R1.267 C=CCNCc1ccncc1Cl 270004a_100020586998_100011934409 [0,1,0,0,0,0|2,0,1]=4 4075 B12R1.267 C=CCNCc1cnccc1Cl 270004a_100020586998_100000050567 [0,1,0,0,0,0|2,0,1]=4 4076 B12R1.267 C=CCNCc1ncccc1Cl 2230a_100015189233_100000210623 [0,1,0,0,0,0|2,0,1]=4 4077 B12R1.267 C=CCNCc1ncccc1Cl 2230a_100020586998_100000099807 [0,1,0,0,0,0|2,0,1]=4 4078 B12R1.267 C=CCNCc1ncccc1Cl 270004a_100020586998_100012001307 [0,1,0,0,0,0|2,0,1]=4 4079 B12R1.267 C=CCOCc1ccccc1Br 34a_100000756307_100015514636 [0,1,0,0,0,0|1,1,1]=4 4080 B12R1.267 C=CCOCc1ccccc1Br 34a_200000210373_100000184730 [0,1,0,0,0,0|1,1,1]=4 4081 B12R1.267 C=CCOCc1ccccc1Br 7a_100000756307_100015514636 [0,1,0,0,0,0|1,1,1]=4 4082 B12R1.267 C=CCOCc1ccccc1C 34a_100000698903_100015514636 [0,1,0,0,0,0|2,0,1]=4 4083 B12R1.267 C=CCOCc1ccccc1C 34a_200000210373_100000211839 [0,1,0,0,0,0|2,0,1]=4 4084 B12R1.267 C=CCOCc1ccccc1C 7a_100000698903_100015514636 [0,1,0,0,0,0|2,0,1]=4 4085 B12R1.267 C=CCOCc1ccccc1Cl 34a_100000210847_100015514636 [0,1,0,0,0,0|1,0,1]=3 4086 B12R1.267 C=CCOCc1ccccc1Cl 34a_200000210373_100000187162 [0,1,0,0,0,0|1,0,1]=3 4087 B12R1.267 C=CCOCc1ccccc1Cl 7a_100000210847_100015514636 [0,1,0,0,0,0|1,0,1]=3 4088 B12R1.267 C=CCOCc1ccccc1F 34a_100000211962_100015514636 [0,1,0,0,0,0|1,1,1]=4 4089 B12R1.267 C=CCOCc1ccccc1F 34a_200000210373_100000211605 [0,1,0,0,0,0|1,1,1]=4 4090 B12R1.267 C=CCOCc1ccccc1F 7a_100000211962_100015514636 [0,1,0,0,0,0|1,1,1]=4 4091 B12R1.267 C=CCOCc1ccccc1I 34a_100000187465_100015514636 [0,1,0,0,0,0|1,1,1]=4 4092 B12R1.267 C=CCOCc1ccccc1I 34a_200000210373_100011215278 [0,1,0,0,0,0|1,1,1]=4 4093 B12R1.267 C=CCOCc1ccccc1I 7a_100000187465_100015514636 [0,1,0,0,0,0|1,1,1]=4 4094 B12R1.267 C=CCOCc1ccccc1N 34a_100000212039_100015514636 [0,1,0,0,0,0|2,0,1]=4 4095 B12R1.267 C=CCOCc1cccnc1Cl 34a_100000748726_100015514636 [0,1,0,0,0,0|2,0,1]=4 4096 B12R1.267 C=CCOCc1cccnc1Cl 34a_200000210373_100000045678 [0,1,0,0,0,0|2,0,1]=4 4097 B12R1.267 C=CCOCc1cccnc1Cl 7a_100000748726_100015514636 [0,1,0,0,0,0|2,0,1]=4 4098 B12R1.267 C=CCOCc1cnccc1Cl 34a_100000117392_100015514636 [0,1,0,0,0,0|2,0,1]=4 4099 B12R1.267 C=CCOCc1ncccc1Cl 34a_100012002383_100015514636 [0,1,0,0,0,0|2,0,1]=4 4100 B12R1.267 C=CCSCc1ccccc1Br 62a_100000184730_100000210623 [0,1,0,0,0,0|1,1,1]=4 4101 B12R1.267 C=CCSCc1ccccc1Br 62a_100000210623_100000184730 [0,1,0,0,0,0|1,1,1]=4 4102 B12R1.267 C=CCSCc1ccccc1C 62a_100000210623_100000211839 [0,1,0,0,0,0|2,0,1]=4 4103 B12R1.267 C=CCSCc1ccccc1C 62a_100000211839_100000210623 [0,1,0,0,0,0|2,0,1]=4 4104 B12R1.267 C=CCSCc1ccccc1Cl 62a_100000187162_100000210623 [0,1,0,0,0,0|1,0,1]=3 4105 B12R1.267 C=CCSCc1ccccc1Cl 62a_100000210623_100000187162 [0,1,0,0,0,0|1,0,1]=3 4106 B12R1.267 C=CCSCc1ccccc1F 62a_100000210623_100000211605 [0,1,0,0,0,0|1,1,1]=4 4107 B12R1.267 C=CCSCc1ccccc1F 62a_100000211605_100000210623 [0,1,0,0,0,0|1,1,1]=4 4108 B12R1.267 C=CCSCc1ccccc1I 62a_100000210623_100011216222 [0,1,0,0,0,0|1,1,1]=4 4109 B12R1.267 C=CCSCc1ccccc1I 62a_100011216222_100000210623 [0,1,0,0,0,0|1,1,1]=4 4110 B12R1.267 C=CCSCc1cccnc1Cl 62a_100000045678_100000210623 [0,1,0,0,0,0|2,0,1]=4 4111 B12R1.267 C=CCSCc1cccnc1Cl 62a_100000210623_100000045678 [0,1,0,0,0,0|2,0,1]=4 4112 B12R1.267 C=CCSCc1ccncc1Cl 62a_100000210623_100000763264 [0,1,0,0,0,0|2,0,1]=4 4113 B12R1.267 C=CCSCc1ccncc1Cl 62a_100000763264_100000210623 [0,1,0,0,0,0|2,0,1]=4 4114 B12R1.267 C=CCSCc1ncccc1Cl 62a_100000099807_100000210623 [0,1,0,0,0,0|2,0,1]=4 4115 B12R1.267 C=CCSCc1ncccc1Cl 62a_100000210623_100000099807 [0,1,0,0,0,0|2,0,1]=4 4116 B12R1.267 CC#CCNc1ccccc1Br 34a_100000210017_100000748600 [0,1,0,0,0,0|1,1,1]=4 4117 B12R1.267 CC#CCNc1ccccc1C 34a_100015192222_100000748600 [0,1,0,0,0,0|2,0,1]=4 4118 B12R1.267 CC#CCNc1ccccc1Cl 34a_100000185783_100000748600 [0,1,0,0,0,0|1,0,1]=3 4119 B12R1.267 CC#CCNc1ccccc1F 34a_100000210422_100000748600 [0,1,0,0,0,0|1,1,1]=4 4120 B12R1.267 CC#CCNc1ccccc1I 34a_100000210053_100000748600 [0,1,0,0,0,0|1,1,1]=4 4121 B12R1.267 CC#CCNc1ccccc1O 34a_100000185747_100000748600 [0,1,0,0,0,0|2,0,1]=4 4122 B12R1.267 CC#CCOc1ccccc1Br 34a_100000181306_100000748600 [0,1,0,0,0,0|1,1,1]=4 4123 B12R1.267 CC#CCOc1ccccc1Br 7a_100000181306_100000748600 [0,1,0,0,0,0|1,1,1]=4 4124 B12R1.267 CC#CCOc1ccccc1C 34a_100000210338_100000748600 [0,1,0,0,0,0|2,0,1]=4 4125 B12R1.267 CC#CCOc1ccccc1C 7a_100000210338_100000748600 [0,1,0,0,0,0|2,0,1]=4 4126 B12R1.267 CC#CCOc1ccccc1Cl 34a_100000210172_100000748600 [0,1,0,0,0,0|1,0,1]=3 4127 B12R1.267 CC#CCOc1ccccc1Cl 7a_100000210172_100000748600 [0,1,0,0,0,0|1,0,1]=3 4128 B12R1.267 CC#CCOc1ccccc1F 34a_100000210171_100000748600 [0,1,0,0,0,0|1,1,1]=4 4129 B12R1.267 CC#CCOc1ccccc1F 7a_100000210171_100000748600 [0,1,0,0,0,0|1,1,1]=4 4130 B12R1.267 CC#CCOc1ccccc1I 34a_100000739446_100000748600 [0,1,0,0,0,0|1,1,1]=4 4131 B12R1.267 CC#CCOc1ccccc1I 7a_100000739446_100000748600 [0,1,0,0,0,0|1,1,1]=4 4132 B12R1.267 CC#CCOc1ccccc1N 34a_100000185747_100000748600 [0,1,0,0,0,0|2,0,1]=4 4133 B12R1.267 CC#CCOc1ccccc1N 7a_100000185747_100000748600 [0,1,0,0,0,0|2,0,1]=4 4134 B12R1.267 CC#CCOc1cccnc1Cl 34a_100000757616_100000748600 [0,1,0,0,0,0|2,0,1]=4 4135 B12R1.267 CC#CCOc1cccnc1Cl 7a_100000757616_100000748600 [0,1,0,0,0,0|2,0,1]=4 4136 B12R1.267 CC#CCOc1ccncc1Cl 34a_100011997054_100000748600 [0,1,0,0,0,0|2,0,1]=4 4137 B12R1.267 CC#CCOc1cnccc1Cl 34a_100011996695_100000748600 [0,1,0,0,0,0|2,0,1]=4 4138 B12R1.267 CC#CCOc1ncccc1Cl 34a_100011290957_100000748600 [0,1,0,0,0,0|2,0,1]=4 4139 B12R1.267 CC#CCSc1ccccc1Br 62a_100000695589_100000748600 [0,1,0,0,0,0|1,1,1]=4 4140 B12R1.267 CC#CCSc1ccccc1Br 62a_100000748600_100000695589 [0,1,0,0,0,0|1,1,1]=4 4141 B12R1.267 CC#CCSc1ccccc1C 62a_100000210755_100000748600 [0,1,0,0,0,0|2,0,1]=4 4142 B12R1.267 CC#CCSc1ccccc1C 62a_100000748600_100000210755 [0,1,0,0,0,0|2,0,1]=4 4143 B12R1.267 CC#CCSc1ccccc1Cl 62a_100000748600_100000764095 [0,1,0,0,0,0|1,0,1]=3 4144 B12R1.267 CC#CCSc1ccccc1Cl 62a_100000764095_100000748600 [0,1,0,0,0,0|1,0,1]=3 4145 B12R1.267 CC#CCSc1ccccc1F 62a_100000748600_100011215700 [0,1,0,0,0,0|1,1,1]=4 4146 B12R1.267 CC#CCSc1ccccc1F 62a_100011215700_100000748600 [0,1,0,0,0,0|1,1,1]=4 4147 B12R1.267 CC#CCSc1ccccc1N 62a_100000210017_100000748600 [0,1,0,0,0,0|2,0,1]=4 4148 B12R1.267 CC#CCSc1ccccc1N 62a_100000748600_100000210017 [0,1,0,0,0,0|2,0,1]=4 4149 B12R1.267 CC#CCSc1ccccc1O 62a_100000739446_100000748600 [0,1,0,0,0,0|2,0,1]=4 4150 B12R1.267 CC#CCSc1ccccc1O 62a_100000748600_100000739446 [0,1,0,0,0,0|2,0,1]=4 4151 B12R1.267 CC#CCSc1cccnc1Cl 62a_100000036424_100000748600 [0,1,0,0,0,0|2,0,1]=4 4152 B12R1.267 CC#CCSc1cccnc1Cl 62a_100000748600_100000036424 [0,1,0,0,0,0|2,0,1]=4 4153 B12R1.267 CC#CCSc1ccncc1Cl 62a_100000708259_100000748600 [0,1,0,0,0,0|2,0,1]=4 4154 B12R1.267 CC#CCSc1ccncc1Cl 62a_100000748600_100000708259 [0,1,0,0,0,0|2,0,1]=4 4155 B12R1.267 CC#CCSc1cnccc1Cl 62a_100000748600_100009995489 [0,1,0,0,0,0|2,0,1]=4 4156 B12R1.267 CC#CCSc1cnccc1Cl 62a_100009995489_100000748600 [0,1,0,0,0,0|2,0,1]=4 4157 B12R1.267 CC#CCSc1ncccc1Cl 62a_100000748600_100011356963 [0,1,0,0,0,0|2,0,1]=4 4158 B12R1.267 CC#CCSc1ncccc1Cl 62a_100011356963_100000748600 [0,1,0,0,0,0|2,0,1]=4 4159 B12R1.267 CC=CCNc1ccccc1Br 34a_100000210017_100000070051 [0,1,0,0,0,0|1,1,1]=4 4160 B12R1.267 CC=CCNc1ccccc1C 34a_100015192222_100000070051 [0,1,0,0,0,0|2,0,1]=4 4161 B12R1.267 CC=CCNc1ccccc1Cl 34a_100000185783_100000070051 [0,1,0,0,0,0|1,0,1]=3 4162 B12R1.267 CC=CCNc1ccccc1F 34a_100000210422_100000070051 [0,1,0,0,0,0|1,1,1]=4 4163 B12R1.267 CC=CCNc1ccccc1I 34a_100000210053_100000070051 [0,1,0,0,0,0|1,1,1]=4 4164 B12R1.267 CC=CCNc1ccccc1O 34a_100000185747_100000070051 [0,1,0,0,0,0|2,0,1]=4 4165 B12R1.267 CC=CCOc1ccccc1Br 34a_100000181306_100000070051 [0,1,0,0,0,0|1,1,1]=4 4166 B12R1.267 CC=CCOc1ccccc1Br 7a_100000181306_100000070051 [0,1,0,0,0,0|1,1,1]=4 4167 B12R1.267 CC=CCOc1ccccc1C 34a_100000210338_100000070051 [0,1,0,0,0,0|2,0,1]=4 4168 B12R1.267 CC=CCOc1ccccc1C 7a_100000210338_100000070051 [0,1,0,0,0,0|2,0,1]=4 4169 B12R1.267 CC=CCOc1ccccc1Cl 34a_100000210172_100000070051 [0,1,0,0,0,0|1,0,1]=3 4170 B12R1.267 CC=CCOc1ccccc1Cl 7a_100000210172_100000070051 [0,1,0,0,0,0|1,0,1]=3 4171 B12R1.267 CC=CCOc1ccccc1F 34a_100000210171_100000070051 [0,1,0,0,0,0|1,1,1]=4 4172 B12R1.267 CC=CCOc1ccccc1F 7a_100000210171_100000070051 [0,1,0,0,0,0|1,1,1]=4 4173 B12R1.267 CC=CCOc1ccccc1I 34a_100000739446_100000070051 [0,1,0,0,0,0|1,1,1]=4 4174 B12R1.267 CC=CCOc1ccccc1I 7a_100000739446_100000070051 [0,1,0,0,0,0|1,1,1]=4 4175 B12R1.267 CC=CCOc1ccccc1N 34a_100000185747_100000070051 [0,1,0,0,0,0|2,0,1]=4 4176 B12R1.267 CC=CCOc1ccccc1N 7a_100000185747_100000070051 [0,1,0,0,0,0|2,0,1]=4 4177 B12R1.267 CC=CCOc1cccnc1Cl 34a_100000757616_100000070051 [0,1,0,0,0,0|2,0,1]=4 4178 B12R1.267 CC=CCOc1cccnc1Cl 7a_100000757616_100000070051 [0,1,0,0,0,0|2,0,1]=4 4179 B12R1.267 CC=CCOc1ccncc1Cl 34a_100011997054_100000070051 [0,1,0,0,0,0|2,0,1]=4 4180 B12R1.267 CC=CCOc1cnccc1Cl 34a_100011996695_100000070051 [0,1,0,0,0,0|2,0,1]=4 4181 B12R1.267 CC=CCOc1ncccc1Cl 34a_100011290957_100000070051 [0,1,0,0,0,0|2,0,1]=4 4182 B12R1.267 CC=CCSc1ccccc1Br 62a_100000070051_100000695589 [0,1,0,0,0,0|1,1,1]=4 4183 B12R1.267 CC=CCSc1ccccc1Br 62a_100000695589_100000070051 [0,1,0,0,0,0|1,1,1]=4 4184 B12R1.267 CC=CCSc1ccccc1C 62a_100000070051_100000210755 [0,1,0,0,0,0|2,0,1]=4 4185 B12R1.267 CC=CCSc1ccccc1C 62a_100000210755_100000070051 [0,1,0,0,0,0|2,0,1]=4 4186 B12R1.267 CC=CCSc1ccccc1Cl 62a_100000070051_100000764095 [0,1,0,0,0,0|1,0,1]=3 4187 B12R1.267 CC=CCSc1ccccc1Cl 62a_100000764095_100000070051 [0,1,0,0,0,0|1,0,1]=3 4188 B12R1.267 CC=CCSc1ccccc1F 62a_100000070051_100011215700 [0,1,0,0,0,0|1,1,1]=4 4189 B12R1.267 CC=CCSc1ccccc1F 62a_100011215700_100000070051 [0,1,0,0,0,0|1,1,1]=4 4190 B12R1.267 CC=CCSc1ccccc1N 62a_100000070051_100000210017 [0,1,0,0,0,0|2,0,1]=4 4191 B12R1.267 CC=CCSc1ccccc1N 62a_100000210017_100000070051 [0,1,0,0,0,0|2,0,1]=4 4192 B12R1.267 CC=CCSc1ccccc1O 62a_100000070051_100000739446 [0,1,0,0,0,0|2,0,1]=4 4193 B12R1.267 CC=CCSc1ccccc1O 62a_100000739446_100000070051 [0,1,0,0,0,0|2,0,1]=4 4194 B12R1.267 CC=CCSc1cccnc1Cl 62a_100000036424_100000070051 [0,1,0,0,0,0|2,0,1]=4 4195 B12R1.267 CC=CCSc1cccnc1Cl 62a_100000070051_100000036424 [0,1,0,0,0,0|2,0,1]=4 4196 B12R1.267 CC=CCSc1ccncc1Cl 62a_100000070051_100000708259 [0,1,0,0,0,0|2,0,1]=4 4197 B12R1.267 CC=CCSc1ccncc1Cl 62a_100000708259_100000070051 [0,1,0,0,0,0|2,0,1]=4 4198 B12R1.267 CC=CCSc1cnccc1Cl 62a_100000070051_100009995489 [0,1,0,0,0,0|2,0,1]=4 4199 B12R1.267 CC=CCSc1cnccc1Cl 62a_100009995489_100000070051 [0,1,0,0,0,0|2,0,1]=4 4200 B12R1.267 CC=CCSc1ncccc1Cl 62a_100000070051_100011356963 [0,1,0,0,0,0|2,0,1]=4 4201 B12R1.267 CC=CCSc1ncccc1Cl 62a_100011356963_100000070051 [0,1,0,0,0,0|2,0,1]=4 4202 B12R1.267 CC=NNCc1ccccc1Br 4a_200016993956_200000210099 [0,1,0,0,0,0|1,1,1]=4 4203 B12R1.267 CC=NNCc1ccccc1C 4a_100000737298_200000210099 [0,1,0,0,0,0|2,0,1]=4 4204 B12R1.267 CC=NNCc1ccccc1Cl 4a_100015187261_200000210099 [0,1,0,0,0,0|1,0,1]=3 4205 B12R1.267 CC=NNCc1ccccc1F 4a_100015200773_200000210099 [0,1,0,0,0,0|1,1,1]=4 4206 B12R1.267 CCC=NNc1ccccc1Cl 4a_100000683529_100000210100 [0,1,0,0,0,0|2,0,1]=4 4207 B12R1.267 CCCC=Cc1ccccc1Br 271570a_100016258520_100000695589 [0,1,0,0,0,0|1,1,1]=4 4208 B12R1.267 CCCC=Cc1ccccc1C 271570a_100016258520_100000210755 [0,1,0,0,0,0|2,0,1]=4 4209 B12R1.267 CCCC=Cc1ccccc1Cl 271570a_100016258520_100000764095 [0,1,0,0,0,0|1,0,1]=3 4210 B12R1.267 CCCC=Cc1ccccc1F 271570a_100016258520_100011215700 [0,1,0,0,0,0|1,1,1]=4 4211 B12R1.267 CCCC=Cc1ccccc1N 271570a_100016258520_100000210017 [0,1,0,0,0,0|2,0,1]=4 4212 B12R1.267 CCCC=Cc1ccccc1O 271570a_100016258520_100000739446 [0,1,0,0,0,0|2,0,1]=4 4213 B12R1.267 CCCC=Cc1cccnc1Cl 271570a_100016258520_100000036424 [0,1,0,0,0,0|2,0,1]=4 4214 B12R1.267 CCCC=Cc1ccncc1Cl 271570a_100016258520_100000708259 [0,1,0,0,0,0|2,0,1]=4 4215 B12R1.267 CCCC=Cc1cnccc1Cl 271570a_100016258520_100009995489 [0,1,0,0,0,0|2,0,1]=4 4216 B12R1.267 CCCC=Cc1ncccc1Cl 271570a_100016258520_100011356963 [0,1,0,0,0,0|2,0,1]=4 4217 B12R1.267 CCCCNc1ccccc1Br 34a_100000210017_100000210210 [0,1,0,0,0,0|1,1,0]=3 4218 B12R1.267 CCCCNc1ccccc1C 34a_100015192222_100000210210 [0,1,0,0,0,0|2,0,0]=3 4219 B12R1.267 CCCCNc1ccccc1Cl 34a_100000185783_100000210210 [0,1,0,0,0,0|1,0,0]=2 4220 B12R1.267 CCCCNc1ccccc1F 34a_100000210422_100000210210 [0,1,0,0,0,0|1,1,0]=3 4221 B12R1.267 CCCCNc1ccccc1I 34a_100000210053_100000210210 [0,1,0,0,0,0|1,1,0]=3 4222 B12R1.267 CCCCNc1ccccc1O 34a_100000185747_100000210210 [0,1,0,0,0,0|2,0,0]=3 4223 B12R1.267 CCCCNc1ccncc1Br 27a_100000102301_100000726257 [0,1,0,0,0,0|2,1,0]=4 4224 B12R1.267 CCCCNc1ccncc1C 27a_100000102301_100000765111 [0,1,0,0,0,0|3,0,0]=4 4225 B12R1.267 CCCCNc1ccncc1F 27a_100000102301_100000035921 [0,1,0,0,0,0|2,1,0]=4 4226 B12R1.267 CCCCNc1ncccc1Br 27a_100000102301_100000696092 [0,1,0,0,0,0|2,1,0]=4 4227 B12R1.267 CCCCOc1cccc[n+]1[O-] 7a_100000211761_100000210211 [0,1,0,0,0,0|3,0,0]=4 4228 B12R1.267 CCCCOc1ccccc1Br 34a_100000181306_100000210210 [0,1,0,0,0,0|1,1,0]=3 4229 B12R1.267 CCCCOc1ccccc1Br 7a_100000181306_100000210211 [0,1,0,0,0,0|1,1,0]=3 4230 B12R1.267 CCCCOc1ccccc1C 34a_100000210338_100000210210 [0,1,0,0,0,0|2,0,0]=3 4231 B12R1.267 CCCCOc1ccccc1C 7a_100000210338_100000210211 [0,1,0,0,0,0|2,0,0]=3 4232 B12R1.267 CCCCOc1ccccc1Cl 34a_100000210172_100000210210 [0,1,0,0,0,0|1,0,0]=2 4233 B12R1.267 CCCCOc1ccccc1Cl 7a_100000210172_100000210211 [0,1,0,0,0,0|1,0,0]=2 4234 B12R1.267 CCCCOc1ccccc1F 34a_100000210171_100000210210 [0,1,0,0,0,0|1,1,0]=3 4235 B12R1.267 CCCCOc1ccccc1F 7a_100000210171_100000210211 [0,1,0,0,0,0|1,1,0]=3 4236 B12R1.267 CCCCOc1ccccc1I 34a_100000739446_100000210210 [0,1,0,0,0,0|1,1,0]=3 4237 B12R1.267 CCCCOc1ccccc1I 7a_100000739446_100000210211 [0,1,0,0,0,0|1,1,0]=3 4238 B12R1.267 CCCCOc1ccccc1N 34a_100000185747_100000210210 [0,1,0,0,0,0|2,0,0]=3 4239 B12R1.267 CCCCOc1ccccc1N 7a_100000185747_100000210211 [0,1,0,0,0,0|2,0,0]=3 4240 B12R1.267 CCCCOc1ccccc1O 271570a_203496583355_100000230755 [0,1,0,0,0,0|2,0,0]=3 4241 B12R1.267 CCCCOc1cccnc1Br 34a_100000744436_100000210210 [0,1,0,0,0,0|2,1,0]=4 4242 B12R1.267 CCCCOc1cccnc1Br 7a_100000744436_100000210211 [0,1,0,0,0,0|2,1,0]=4 4243 B12R1.267 CCCCOc1cccnc1C 34a_100000745507_100000210210 [0,1,0,0,0,0|3,0,0]=4 4244 B12R1.267 CCCCOc1cccnc1C 7a_100000745507_100000210211 [0,1,0,0,0,0|3,0,0]=4 4245 B12R1.267 CCCCOc1cccnc1Cl 34a_100000757616_100000210210 [0,1,0,0,0,0|2,0,0]=3 4246 B12R1.267 CCCCOc1cccnc1Cl 7a_100000757616_100000210211 [0,1,0,0,0,0|2,0,0]=3 4247 B12R1.267 CCCCOc1cccnc1F 34a_100000061740_100000210210 [0,1,0,0,0,0|2,1,0]=4 4248 B12R1.267 CCCCOc1cccnc1F 7a_100000061740_100000210211 [0,1,0,0,0,0|2,1,0]=4 4249 B12R1.267 CCCCOc1cccnc1I 34a_100000034122_100000210210 [0,1,0,0,0,0|2,1,0]=4 4250 B12R1.267 CCCCOc1cccnc1I 7a_100000034122_100000210211 [0,1,0,0,0,0|2,1,0]=4 4251 B12R1.267 CCCCOc1cccnc1N 34a_100000211975_100000210210 [0,1,0,0,0,0|3,0,0]=4 4252 B12R1.267 CCCCOc1cccnc1N 7a_100000211975_100000210211 [0,1,0,0,0,0|3,0,0]=4 4253 B12R1.267 CCCCOc1cccoc1=O 34a_100000077404_100000210210 [0,1,0,0,0,0|3,0,0]=4 4254 B12R1.267 CCCCOc1cccoc1=O 7a_100000077404_100000210211 [0,1,0,0,0,0|3,0,0]=4 4255 B12R1.267 CCCCOc1ccncc1Br 34a_100011996408_100000210210 [0,1,0,0,0,0|2,1,0]=4 4256 B12R1.267 CCCCOc1ccncc1C 34a_100000694293_100000210210 [0,1,0,0,0,0|3,0,0]=4 4257 B12R1.267 CCCCOc1ccncc1Cl 34a_100011997054_100000210210 [0,1,0,0,0,0|2,0,0]=3 4258 B12R1.267 CCCCOc1ccncc1F 34a_200000081243_100000210210 [0,1,0,0,0,0|2,1,0]=4 4259 B12R1.267 CCCCOc1cnccc1C 34a_100011997053_100000210210 [0,1,0,0,0,0|3,0,0]=4 4260 B12R1.267 CCCCOc1cnccc1C 7a_100011997053_100000210211 [0,1,0,0,0,0|3,0,0]=4 4261 B12R1.267 CCCCOc1cnccc1Cl 34a_100011996695_100000210210 [0,1,0,0,0,0|2,0,0]=3 4262 B12R1.267 CCCCOc1cnccc1I 34a_100000050107_100000210210 [0,1,0,0,0,0|2,1,0]=4 4263 B12R1.267 CCCCOc1cnccc1N 34a_100000753702_100000210210 [0,1,0,0,0,0|3,0,0]=4 4264 B12R1.267 CCCCOc1coccc1=O 34a_100000060831_100000210210 [0,1,0,0,0,0|3,0,0]=4 4265 B12R1.267 CCCCOc1ncccc1Cl 34a_100011290957_100000210210 [0,1,0,0,0,0|2,0,0]=3 4266 B12R1.267 CCCCOc1ncccc1F 34a_100011219419_100000210210 [0,1,0,0,0,0|2,1,0]=4 4267 B12R1.267 CCCCOc1ncccc1N 34a_100000746358_100000210210 [0,1,0,0,0,0|3,0,0]=4 4268 B12R1.267 CCCCSc1c[nH]ccc1=O 62a_100000210211_100009998708 [0,1,0,0,0,0|3,0,0]=4 4269 B12R1.267 CCCCSc1c[nH]ccc1=O 62a_100009998708_100000210210 [0,1,0,0,0,0|3,0,0]=4 4270 B12R1.267 CCCCSc1c[nH]ccc1=S 62a_100000210211_200012280681 [0,1,0,0,0,0|3,0,0]=4 4271 B12R1.267 CCCCSc1c[nH]ccc1=S 62a_200012280681_100000210210 [0,1,0,0,0,0|3,0,0]=4 4272 B12R1.267 CCCCSc1cccc[n+]1C 62a_100000210211_100000212160 [0,1,0,0,0,0|3,0,0]=4 4273 B12R1.267 CCCCSc1cccc[n+]1[O-] 62a_100000210211_200000042595 [0,1,0,0,0,0|3,0,0]=4 4274 B12R1.267 CCCCSc1ccccc1Br 62a_100000210211_100000695589 [0,1,0,0,0,0|1,1,0]=3 4275 B12R1.267 CCCCSc1ccccc1Br 62a_100000695589_100000210210 [0,1,0,0,0,0|1,1,0]=3 4276 B12R1.267 CCCCSc1ccccc1C 62a_100000210211_100000210755 [0,1,0,0,0,0|2,0,0]=3 4277 B12R1.267 CCCCSc1ccccc1C 62a_100000210755_100000210210 [0,1,0,0,0,0|2,0,0]=3 4278 B12R1.267 CCCCSc1ccccc1Cl 62a_100000210211_100000764095 [0,1,0,0,0,0|1,0,0]=2 4279 B12R1.267 CCCCSc1ccccc1Cl 62a_100000764095_100000210210 [0,1,0,0,0,0|1,0,0]=2 4280 B12R1.267 CCCCSc1ccccc1F 62a_100000210211_100011215700 [0,1,0,0,0,0|1,1,0]=3 4281 B12R1.267 CCCCSc1ccccc1F 62a_100011215700_100000210210 [0,1,0,0,0,0|1,1,0]=3 4282 B12R1.267 CCCCSc1ccccc1N 62a_100000210017_100000210210 [0,1,0,0,0,0|2,0,0]=3 4283 B12R1.267 CCCCSc1ccccc1N 62a_100000210211_100000210017 [0,1,0,0,0,0|2,0,0]=3 4284 B12R1.267 CCCCSc1ccccc1O 62a_100000210211_100000739446 [0,1,0,0,0,0|2,0,0]=3 4285 B12R1.267 CCCCSc1ccccc1O 62a_100000739446_100000210210 [0,1,0,0,0,0|2,0,0]=3 4286 B12R1.267 CCCCSc1cccnc1Br 62a_100000210211_100010202626 [0,1,0,0,0,0|2,1,0]=4 4287 B12R1.267 CCCCSc1cccnc1Br 62a_100010202626_100000210210 [0,1,0,0,0,0|2,1,0]=4 4288 B12R1.267 CCCCSc1cccnc1C 62a_100000210211_100000751574 [0,1,0,0,0,0|3,0,0]=4 4289 B12R1.267 CCCCSc1cccnc1C 62a_100000751574_100000210210 [0,1,0,0,0,0|3,0,0]=4 4290 B12R1.267 CCCCSc1cccnc1Cl 62a_100000036424_100000210210 [0,1,0,0,0,0|2,0,0]=3 4291 B12R1.267 CCCCSc1cccnc1Cl 62a_100000210211_100000036424 [0,1,0,0,0,0|2,0,0]=3 4292 B12R1.267 CCCCSc1cccnc1F 62a_100000210211_100009816115 [0,1,0,0,0,0|2,1,0]=4 4293 B12R1.267 CCCCSc1cccnc1F 62a_100009816115_100000210210 [0,1,0,0,0,0|2,1,0]=4 4294 B12R1.267 CCCCSc1cccnc1N 62a_100000045569_100000210210 [0,1,0,0,0,0|3,0,0]=4 4295 B12R1.267 CCCCSc1cccnc1N 62a_100000210211_100000045569 [0,1,0,0,0,0|3,0,0]=4 4296 B12R1.267 CCCCSc1cccnc1O 62a_100000210211_100000760158 [0,1,0,0,0,0|3,0,0]=4 4297 B12R1.267 CCCCSc1cccnc1O 62a_100000760158_100000210210 [0,1,0,0,0,0|3,0,0]=4 4298 B12R1.267 CCCCSc1ccncc1Br 62a_100000210211_100000726257 [0,1,0,0,0,0|2,1,0]=4 4299 B12R1.267 CCCCSc1ccncc1Br 62a_100000726257_100000210210 [0,1,0,0,0,0|2,1,0]=4 4300 B12R1.267 CCCCSc1ccncc1C 62a_100000210211_100000765111 [0,1,0,0,0,0|3,0,0]=4 4301 B12R1.267 CCCCSc1ccncc1C 62a_100000765111_100000210210 [0,1,0,0,0,0|3,0,0]=4 4302 B12R1.267 CCCCSc1ccncc1Cl 62a_100000210211_100000708259 [0,1,0,0,0,0|2,0,0]=3 4303 B12R1.267 CCCCSc1ccncc1Cl 62a_100000708259_100000210210 [0,1,0,0,0,0|2,0,0]=3 4304 B12R1.267 CCCCSc1ccncc1F 62a_100000047030_100000210210 [0,1,0,0,0,0|2,1,0]=4 4305 B12R1.267 CCCCSc1ccncc1F 62a_100000210211_100000047030 [0,1,0,0,0,0|2,1,0]=4 4306 B12R1.267 CCCCSc1ccncc1N 62a_100000210211_100000756074 [0,1,0,0,0,0|3,0,0]=4 4307 B12R1.267 CCCCSc1ccncc1N 62a_100000756074_100000210210 [0,1,0,0,0,0|3,0,0]=4 4308 B12R1.267 CCCCSc1ccncc1O 62a_100000210211_100009817591 [0,1,0,0,0,0|3,0,0]=4 4309 B12R1.267 CCCCSc1ccncc1O 62a_100009817591_100000210210 [0,1,0,0,0,0|3,0,0]=4 4310 B12R1.267 CCCCSc1cnccc1Br 62a_100000210211_100010138639 [0,1,0,0,0,0|2,1,0]=4 4311 B12R1.267 CCCCSc1cnccc1Br 62a_100010138639_100000210210 [0,1,0,0,0,0|2,1,0]=4 4312 B12R1.267 CCCCSc1cnccc1C 62a_100000210211_100000761580 [0,1,0,0,0,0|3,0,0]=4 4313 B12R1.267 CCCCSc1cnccc1C 62a_100000761580_100000210210 [0,1,0,0,0,0|3,0,0]=4 4314 B12R1.267 CCCCSc1cnccc1Cl 62a_100000210211_100009995489 [0,1,0,0,0,0|2,0,0]=3 4315 B12R1.267 CCCCSc1cnccc1Cl 62a_100009995489_100000210210 [0,1,0,0,0,0|2,0,0]=3 4316 B12R1.267 CCCCSc1cnccc1F 62a_100000210211_100009820683 [0,1,0,0,0,0|2,1,0]=4 4317 B12R1.267 CCCCSc1cnccc1F 62a_100009820683_100000210210 [0,1,0,0,0,0|2,1,0]=4 4318 B12R1.267 CCCCSc1cnccc1N 62a_100000047001_100000210210 [0,1,0,0,0,0|3,0,0]=4 4319 B12R1.267 CCCCSc1cnccc1N 62a_100000210211_100000047001 [0,1,0,0,0,0|3,0,0]=4 4320 B12R1.267 CCCCSc1cncnc1Cl 62a_100000210211_100000758962 [0,1,0,0,0,0|3,0,0]=4 4321 B12R1.267 CCCCSc1cncnc1Cl 62a_100000758962_100000210210 [0,1,0,0,0,0|3,0,0]=4 4322 B12R1.267 CCCCSc1ncccc1Br 62a_100000210211_100000696092 [0,1,0,0,0,0|2,1,0]=4 4323 B12R1.267 CCCCSc1ncccc1Br 62a_100000696092_100000210210 [0,1,0,0,0,0|2,1,0]=4 4324 B12R1.267 CCCCSc1ncccc1C 62a_100000210211_100000751373 [0,1,0,0,0,0|3,0,0]=4 4325 B12R1.267 CCCCSc1ncccc1C 62a_100000751373_100000210210 [0,1,0,0,0,0|3,0,0]=4 4326 B12R1.267 CCCCSc1ncccc1Cl 62a_100000210211_100011356963 [0,1,0,0,0,0|2,0,0]=3 4327 B12R1.267 CCCCSc1ncccc1Cl 62a_100011356963_100000210210 [0,1,0,0,0,0|2,0,0]=3 4328 B12R1.267 CCCCSc1ncccc1F 62a_100000210211_100000685392 [0,1,0,0,0,0|2,1,0]=4 4329 B12R1.267 CCCCSc1ncccc1F 62a_100000685392_100000210210 [0,1,0,0,0,0|2,1,0]=4 4330 B12R1.267 CCCCSc1ncccc1N 62a_100000210211_100000688686 [0,1,0,0,0,0|3,0,0]=4 4331 B12R1.267 CCCCSc1ncccc1N 62a_100000688686_100000210210 [0,1,0,0,0,0|3,0,0]=4 4332 B12R1.267 CCCCSc1ncccc1O 62a_100000034122_100000210210 [0,1,0,0,0,0|3,0,0]=4 4333 B12R1.267 CCCCSc1ncccc1O 62a_100000210211_100000034122 [0,1,0,0,0,0|3,0,0]=4 4334 B12R1.267 CCCCSc1nccnc1Cl 62a_100000210211_100010886584 [0,1,0,0,0,0|3,0,0]=4 4335 B12R1.267 CCCCSc1nccnc1Cl 62a_100010886584_100000210210 [0,1,0,0,0,0|3,0,0]=4 4336 B12R1.267 CCCNCc1ccccc1Br 207a_100020643023_100000211189 [0,1,0,0,0,0|1,1,0]=3 4337 B12R1.267 CCCNCc1ccccc1Br 2230a_100000689332_100000210303 [0,1,0,0,0,0|1,1,0]=3 4338 B12R1.267 CCCNCc1ccccc1Br 270004a_100020643023_100000211189 [0,1,0,0,0,0|1,1,0]=3 4339 B12R1.267 CCCNCc1ccccc1Br 34a_100000689332_100000210303 [0,1,0,0,0,0|1,1,0]=3 4340 B12R1.267 CCCNCc1ccccc1C 207a_100020643023_100000211143 [0,1,0,0,0,0|2,0,0]=3 4341 B12R1.267 CCCNCc1ccccc1C 270004a_100020643023_100000211143 [0,1,0,0,0,0|2,0,0]=3 4342 B12R1.267 CCCNCc1ccccc1C 34a_100000174972_100000210303 [0,1,0,0,0,0|2,0,0]=3 4343 B12R1.267 CCCNCc1ccccc1Cl 207a_100020643023_100000210073 [0,1,0,0,0,0|1,0,0]=2 4344 B12R1.267 CCCNCc1ccccc1Cl 2230a_100000174879_100000210303 [0,1,0,0,0,0|1,0,0]=2 4345 B12R1.267 CCCNCc1ccccc1Cl 270004a_100020643023_100000210073 [0,1,0,0,0,0|1,0,0]=2 4346 B12R1.267 CCCNCc1ccccc1Cl 34a_100000174879_100000210303 [0,1,0,0,0,0|1,0,0]=2 4347 B12R1.267 CCCNCc1ccccc1F 207a_100020643023_100000210811 [0,1,0,0,0,0|1,1,0]=3 4348 B12R1.267 CCCNCc1ccccc1F 270004a_100020643023_100000210811 [0,1,0,0,0,0|1,1,0]=3 4349 B12R1.267 CCCNCc1ccccc1F 34a_100000174869_100000210303 [0,1,0,0,0,0|1,1,0]=3 4350 B12R1.267 CCCNCc1ccccc1I 207a_100020643023_100000010305 [0,1,0,0,0,0|1,1,0]=3 4351 B12R1.267 CCCNCc1ccccc1I 270004a_100020643023_100000010305 [0,1,0,0,0,0|1,1,0]=3 4352 B12R1.267 CCCNCc1ccccc1O 271570a_203496583355_100000196483 [0,1,0,0,0,0|2,0,0]=3 4353 B12R1.267 CCCNCc1ccccc1O 34a_100000185550_100000210303 [0,1,0,0,0,0|2,0,0]=3 4354 B12R1.267 CCCNCc1cccnc1Br 2230a_100009818023_100000210303 [0,1,0,0,0,0|2,1,0]=4 4355 B12R1.267 CCCNCc1cccnc1Br 34a_100009818023_100000210303 [0,1,0,0,0,0|2,1,0]=4 4356 B12R1.267 CCCNCc1cccnc1C 207a_100020643023_100000751968 [0,1,0,0,0,0|3,0,0]=4 4357 B12R1.267 CCCNCc1cccnc1C 270004a_100020643023_100000751968 [0,1,0,0,0,0|3,0,0]=4 4358 B12R1.267 CCCNCc1cccnc1Cl 2230a_100015189234_100000210303 [0,1,0,0,0,0|2,0,0]=3 4359 B12R1.267 CCCNCc1cccnc1Cl 34a_100015189234_100000210303 [0,1,0,0,0,0|2,0,0]=3 4360 B12R1.267 CCCNCc1cccnc1F 34a_100000724633_100000210303 [0,1,0,0,0,0|2,1,0]=4 4361 B12R1.267 CCCNCc1cccnc1O 207a_100020643023_100011998315 [0,1,0,0,0,0|3,0,0]=4 4362 B12R1.267 CCCNCc1cccnc1O 270004a_100020643023_100011998315 [0,1,0,0,0,0|3,0,0]=4 4363 B12R1.267 CCCNCc1ccncc1Br 270004a_100020643023_100000755692 [0,1,0,0,0,0|2,1,0]=4 4364 B12R1.267 CCCNCc1ccncc1Cl 207a_100020643023_100011934409 [0,1,0,0,0,0|2,0,0]=3 4365 B12R1.267 CCCNCc1ccncc1Cl 270004a_100020643023_100011934409 [0,1,0,0,0,0|2,0,0]=3 4366 B12R1.267 CCCNCc1ccncc1F 34a_100011935246_100000210303 [0,1,0,0,0,0|2,1,0]=4 4367 B12R1.267 CCCNCc1cnccc1Br 270004a_100020643023_100009816821 [0,1,0,0,0,0|2,1,0]=4 4368 B12R1.267 CCCNCc1cnccc1C 207a_100020643023_100000685662 [0,1,0,0,0,0|3,0,0]=4 4369 B12R1.267 CCCNCc1cnccc1C 270004a_100020643023_100000685662 [0,1,0,0,0,0|3,0,0]=4 4370 B12R1.267 CCCNCc1cnccc1Cl 270004a_100020643023_100000050567 [0,1,0,0,0,0|2,0,0]=3 4371 B12R1.267 CCCNCc1ncccc1Br 207a_100020643023_100011934733 [0,1,0,0,0,0|2,1,0]=4 4372 B12R1.267 CCCNCc1ncccc1Br 270004a_100020643023_100011934733 [0,1,0,0,0,0|2,1,0]=4 4373 B12R1.267 CCCNCc1ncccc1C 207a_100020643023_100000698913 [0,1,0,0,0,0|3,0,0]=4 4374 B12R1.267 CCCNCc1ncccc1C 270004a_100020643023_100000698913 [0,1,0,0,0,0|3,0,0]=4 4375 B12R1.267 CCCNCc1ncccc1C 34a_100011223789_100000210303 [0,1,0,0,0,0|3,0,0]=4 4376 B12R1.267 CCCNCc1ncccc1Cl 207a_100020643023_100012001307 [0,1,0,0,0,0|2,0,0]=3 4377 B12R1.267 CCCNCc1ncccc1Cl 2230a_100015189233_100000210303 [0,1,0,0,0,0|2,0,0]=3 4378 B12R1.267 CCCNCc1ncccc1Cl 270004a_100020643023_100012001307 [0,1,0,0,0,0|2,0,0]=3 4379 B12R1.267 CCCNCc1ncccc1F 207a_100020643023_100011934734 [0,1,0,0,0,0|2,1,0]=4 4380 B12R1.267 CCCNCc1ncccc1F 270004a_100020643023_100011934734 [0,1,0,0,0,0|2,1,0]=4 4381 B12R1.267 CCCNCc1ncccc1F 34a_100000690088_100000210303 [0,1,0,0,0,0|2,1,0]=4 4382 B12R1.267 CCCNCc1nccnc1Cl 2230a_100000729963_100000210303 [0,1,0,0,0,0|3,0,0]=4 4383 B12R1.267 CCCOCc1ccccc1Br 34a_100000210258_100000184730 [0,1,0,0,0,0|1,1,0]=3 4384 B12R1.267 CCCOCc1ccccc1Br 34a_100000756307_100000210303 [0,1,0,0,0,0|1,1,0]=3 4385 B12R1.267 CCCOCc1ccccc1Br 7a_100000756307_100000210303 [0,1,0,0,0,0|1,1,0]=3 4386 B12R1.267 CCCOCc1ccccc1C 34a_100000210258_100000211839 [0,1,0,0,0,0|2,0,0]=3 4387 B12R1.267 CCCOCc1ccccc1C 34a_100000698903_100000210303 [0,1,0,0,0,0|2,0,0]=3 4388 B12R1.267 CCCOCc1ccccc1C 7a_100000698903_100000210303 [0,1,0,0,0,0|2,0,0]=3 4389 B12R1.267 CCCOCc1ccccc1Cl 34a_100000210258_100000187162 [0,1,0,0,0,0|1,0,0]=2 4390 B12R1.267 CCCOCc1ccccc1Cl 34a_100000210847_100000210303 [0,1,0,0,0,0|1,0,0]=2 4391 B12R1.267 CCCOCc1ccccc1Cl 7a_100000210847_100000210303 [0,1,0,0,0,0|1,0,0]=2 4392 B12R1.267 CCCOCc1ccccc1F 34a_100000210258_100000211605 [0,1,0,0,0,0|1,1,0]=3 4393 B12R1.267 CCCOCc1ccccc1F 34a_100000211962_100000210303 [0,1,0,0,0,0|1,1,0]=3 4394 B12R1.267 CCCOCc1ccccc1F 7a_100000211962_100000210303 [0,1,0,0,0,0|1,1,0]=3 4395 B12R1.267 CCCOCc1ccccc1I 34a_100000187465_100000210303 [0,1,0,0,0,0|1,1,0]=3 4396 B12R1.267 CCCOCc1ccccc1I 34a_100000210258_100011215278 [0,1,0,0,0,0|1,1,0]=3 4397 B12R1.267 CCCOCc1ccccc1I 7a_100000187465_100000210303 [0,1,0,0,0,0|1,1,0]=3 4398 B12R1.267 CCCOCc1ccccc1N 34a_100000212039_100000210303 [0,1,0,0,0,0|2,0,0]=3 4399 B12R1.267 CCCOCc1cccnc1Br 34a_100000210258_100010140945 [0,1,0,0,0,0|2,1,0]=4 4400 B12R1.267 CCCOCc1cccnc1Br 34a_100000719692_100000210303 [0,1,0,0,0,0|2,1,0]=4 4401 B12R1.267 CCCOCc1cccnc1Br 7a_100000719692_100000210303 [0,1,0,0,0,0|2,1,0]=4 4402 B12R1.267 CCCOCc1cccnc1C 34a_100000210258_100000732876 [0,1,0,0,0,0|3,0,0]=4 4403 B12R1.267 CCCOCc1cccnc1C 34a_100000729262_100000210303 [0,1,0,0,0,0|3,0,0]=4 4404 B12R1.267 CCCOCc1cccnc1C 7a_100000729262_100000210303 [0,1,0,0,0,0|3,0,0]=4 4405 B12R1.267 CCCOCc1cccnc1Cl 34a_100000210258_100000045678 [0,1,0,0,0,0|2,0,0]=3 4406 B12R1.267 CCCOCc1cccnc1Cl 34a_100000748726_100000210303 [0,1,0,0,0,0|2,0,0]=3 4407 B12R1.267 CCCOCc1cccnc1Cl 7a_100000748726_100000210303 [0,1,0,0,0,0|2,0,0]=3 4408 B12R1.267 CCCOCc1cccnc1F 34a_100000079888_100000210303 [0,1,0,0,0,0|2,1,0]=4 4409 B12R1.267 CCCOCc1cccnc1F 34a_100000210258_100000099810 [0,1,0,0,0,0|2,1,0]=4 4410 B12R1.267 CCCOCc1cccnc1F 7a_100000079888_100000210303 [0,1,0,0,0,0|2,1,0]=4 4411 B12R1.267 CCCOCc1ccncc1C 34a_100000210258_100020672809 [0,1,0,0,0,0|3,0,0]=4 4412 B12R1.267 CCCOCc1ccncc1C 34a_100011997032_100000210303 [0,1,0,0,0,0|3,0,0]=4 4413 B12R1.267 CCCOCc1ccncc1F 34a_100012172863_100000210303 [0,1,0,0,0,0|2,1,0]=4 4414 B12R1.267 CCCOCc1cnccc1C 34a_100000210258_100000690890 [0,1,0,0,0,0|3,0,0]=4 4415 B12R1.267 CCCOCc1cnccc1C 34a_100011996381_100000210303 [0,1,0,0,0,0|3,0,0]=4 4416 B12R1.267 CCCOCc1cnccc1Cl 34a_100000117392_100000210303 [0,1,0,0,0,0|2,0,0]=3 4417 B12R1.267 CCCOCc1ncccc1Br 34a_100000210258_100025702911 [0,1,0,0,0,0|2,1,0]=4 4418 B12R1.267 CCCOCc1ncccc1Br 34a_100011996772_100000210303 [0,1,0,0,0,0|2,1,0]=4 4419 B12R1.267 CCCOCc1ncccc1C 34a_100000210258_100000696600 [0,1,0,0,0,0|3,0,0]=4 4420 B12R1.267 CCCOCc1ncccc1C 34a_100000698912_100000210303 [0,1,0,0,0,0|3,0,0]=4 4421 B12R1.267 CCCOCc1ncccc1Cl 34a_100012002383_100000210303 [0,1,0,0,0,0|2,0,0]=3 4422 B12R1.267 CCCOCc1ncccc1F 34a_100000210258_100000104219 [0,1,0,0,0,0|2,1,0]=4 4423 B12R1.267 CCCOCc1ncccc1F 34a_100011934865_100000210303 [0,1,0,0,0,0|2,1,0]=4 4424 B12R1.267 CCCOCc1ncccc1N 34a_114873767017_100000210303 [0,1,0,0,0,0|3,0,0]=4 4425 B12R1.267 CCCOCc1ncccc1O 34a_100000210258_200020655725 [0,1,0,0,0,0|3,0,0]=4 4426 B12R1.267 CCCOCc1nccnc1Cl 34a_100000057004_100000210303 [0,1,0,0,0,0|3,0,0]=4 4427 B12R1.267 CCCSCc1ccccc1Br 62a_100000184730_100000210303 [0,1,0,0,0,0|1,1,0]=3 4428 B12R1.267 CCCSCc1ccccc1Br 62a_100000210303_100000184730 [0,1,0,0,0,0|1,1,0]=3 4429 B12R1.267 CCCSCc1ccccc1C 62a_100000210303_100000211839 [0,1,0,0,0,0|2,0,0]=3 4430 B12R1.267 CCCSCc1ccccc1C 62a_100000211839_100000210303 [0,1,0,0,0,0|2,0,0]=3 4431 B12R1.267 CCCSCc1ccccc1Cl 62a_100000187162_100000210303 [0,1,0,0,0,0|1,0,0]=2 4432 B12R1.267 CCCSCc1ccccc1Cl 62a_100000210303_100000187162 [0,1,0,0,0,0|1,0,0]=2 4433 B12R1.267 CCCSCc1ccccc1F 62a_100000210303_100000211605 [0,1,0,0,0,0|1,1,0]=3 4434 B12R1.267 CCCSCc1ccccc1F 62a_100000211605_100000210303 [0,1,0,0,0,0|1,1,0]=3 4435 B12R1.267 CCCSCc1ccccc1I 62a_100000210303_100011216222 [0,1,0,0,0,0|1,1,0]=3 4436 B12R1.267 CCCSCc1ccccc1I 62a_100011216222_100000210303 [0,1,0,0,0,0|1,1,0]=3 4437 B12R1.267 CCCSCc1ccccc1O 271570a_203496583355_200000173363 [0,1,0,0,0,0|2,0,0]=3 4438 B12R1.267 CCCSCc1cccnc1Br 62a_100000210303_100010140945 [0,1,0,0,0,0|2,1,0]=4 4439 B12R1.267 CCCSCc1cccnc1Br 62a_100010140945_100000210303 [0,1,0,0,0,0|2,1,0]=4 4440 B12R1.267 CCCSCc1cccnc1C 62a_100000210303_100000732876 [0,1,0,0,0,0|3,0,0]=4 4441 B12R1.267 CCCSCc1cccnc1C 62a_100000732876_100000210303 [0,1,0,0,0,0|3,0,0]=4 4442 B12R1.267 CCCSCc1cccnc1Cl 62a_100000045678_100000210303 [0,1,0,0,0,0|2,0,0]=3 4443 B12R1.267 CCCSCc1cccnc1Cl 62a_100000210303_100000045678 [0,1,0,0,0,0|2,0,0]=3 4444 B12R1.267 CCCSCc1cccnc1F 62a_100000099810_100000210303 [0,1,0,0,0,0|2,1,0]=4 4445 B12R1.267 CCCSCc1cccnc1F 62a_100000210303_100000099810 [0,1,0,0,0,0|2,1,0]=4 4446 B12R1.267 CCCSCc1ccncc1C 62a_100000210303_100020672808 [0,1,0,0,0,0|3,0,0]=4 4447 B12R1.267 CCCSCc1ccncc1C 62a_100020672808_100000210303 [0,1,0,0,0,0|3,0,0]=4 4448 B12R1.267 CCCSCc1ccncc1Cl 62a_100000210303_100000763264 [0,1,0,0,0,0|2,0,0]=3 4449 B12R1.267 CCCSCc1ccncc1Cl 62a_100000763264_100000210303 [0,1,0,0,0,0|2,0,0]=3 4450 B12R1.267 CCCSCc1cnccc1C 62a_100000210303_100000690890 [0,1,0,0,0,0|3,0,0]=4 4451 B12R1.267 CCCSCc1cnccc1C 62a_100000690890_100000210303 [0,1,0,0,0,0|3,0,0]=4 4452 B12R1.267 CCCSCc1ncccc1Br 62a_100000210303_100025702911 [0,1,0,0,0,0|2,1,0]=4 4453 B12R1.267 CCCSCc1ncccc1Br 62a_100025702911_100000210303 [0,1,0,0,0,0|2,1,0]=4 4454 B12R1.267 CCCSCc1ncccc1C 62a_100000210303_100000696600 [0,1,0,0,0,0|3,0,0]=4 4455 B12R1.267 CCCSCc1ncccc1C 62a_100000696600_100000210303 [0,1,0,0,0,0|3,0,0]=4 4456 B12R1.267 CCCSCc1ncccc1Cl 62a_100000099807_100000210303 [0,1,0,0,0,0|2,0,0]=3 4457 B12R1.267 CCCSCc1ncccc1Cl 62a_100000210303_100000099807 [0,1,0,0,0,0|2,0,0]=3 4458 B12R1.267 CCCSCc1ncccc1F 62a_100000104219_100000210303 [0,1,0,0,0,0|2,1,0]=4 4459 B12R1.267 CCCSCc1ncccc1F 62a_100000210303_100000104219 [0,1,0,0,0,0|2,1,0]=4 4460 B12R1.267 CCCSCc1ncccc1O 62a_100000210303_200020655725 [0,1,0,0,0,0|3,0,0]=4 4461 B12R1.267 CCCSCc1ncccc1O 62a_200020655725_100000210303 [0,1,0,0,0,0|3,0,0]=4 4462 B12R1.267 CCNCCc1ccccc1Br 2230a_100000747383_100000210202 [0,1,0,0,0,0|0,1,0]=2 4463 B12R1.267 CCNCCc1ccccc1Br 2230a_100015525214_100012161201 [0,1,0,0,0,0|0,1,0]=2 4464 B12R1.267 CCNCCc1ccccc1Br 34a_100000747383_100000210202 [0,1,0,0,0,0|0,1,0]=2 4465 B12R1.267 CCNCCc1ccccc1C 2230a_100000685071_100000210202 [0,1,0,0,0,0|1,0,0]=2 4466 B12R1.267 CCNCCc1ccccc1C 2230a_100015525214_100011713688 [0,1,0,0,0,0|1,0,0]=2 4467 B12R1.267 CCNCCc1ccccc1C 34a_100000685071_100000210202 [0,1,0,0,0,0|1,0,0]=2 4468 B12R1.267 CCNCCc1ccccc1Cl 2230a_100011207228_100000210202 [0,1,0,0,0,0|0,0,0]=1 4469 B12R1.267 CCNCCc1ccccc1Cl 2230a_100015525214_100011713703 [0,1,0,0,0,0|0,0,0]=1 4470 B12R1.267 CCNCCc1ccccc1Cl 270004a_100015525214_200011713468 [0,1,0,0,0,0|0,0,0]=1 4471 B12R1.267 CCNCCc1ccccc1Cl 34a_100011207228_100000210202 [0,1,0,0,0,0|0,0,0]=1 4472 B12R1.267 CCNCCc1ccccc1F 2230a_100000185272_100000210202 [0,1,0,0,0,0|0,1,0]=2 4473 B12R1.267 CCNCCc1ccccc1F 2230a_100015525214_100011713696 [0,1,0,0,0,0|0,1,0]=2 4474 B12R1.267 CCNCCc1ccccc1F 34a_100000185272_100000210202 [0,1,0,0,0,0|0,1,0]=2 4475 B12R1.267 CCNCCc1ccccc1O 34a_100011207237_100000210202 [0,1,0,0,0,0|1,0,0]=2 4476 B12R1.267 CCNCCn1ccccc1=O 2230a_100000687133_100000210202 [0,1,0,0,0,0|2,0,0]=3 4477 B12R1.267 CCNN=Cc1ccccc1Br 4a_100000756455_100000211189 [0,1,0,0,0,0|1,1,1]=4 4478 B12R1.267 CCNN=Cc1ccccc1C 4a_100000756455_100000211143 [0,1,0,0,0,0|2,0,1]=4 4479 B12R1.267 CCNN=Cc1ccccc1Cl 4a_100000756455_100000210073 [0,1,0,0,0,0|1,0,1]=3 4480 B12R1.267 CCNN=Cc1ccccc1F 4a_100000756455_100000210811 [0,1,0,0,0,0|1,1,1]=4 4481 B12R1.267 CCNN=Cc1ccccc1I 4a_100000756455_100000010305 [0,1,0,0,0,0|1,1,1]=4 4482 B12R1.267 CCNN=Cc1ccccc1O 4a_100000756455_100000185834 [0,1,0,0,0,0|2,0,1]=4 4483 B12R1.267 CCNN=Cc1cccnc1Cl 4a_100000756455_100000749341 [0,1,0,0,0,0|2,0,1]=4 4484 B12R1.267 CCNN=Cc1ccncc1Cl 4a_100000756455_100011934409 [0,1,0,0,0,0|2,0,1]=4 4485 B12R1.267 CCNN=Cc1cnccc1Cl 4a_100000756455_100000050567 [0,1,0,0,0,0|2,0,1]=4 4486 B12R1.267 CCNN=Cc1ncccc1Cl 4a_100000756455_100012001307 [0,1,0,0,0,0|2,0,1]=4 4487 B12R1.267 CCOC=Cc1ccccc1Cl 271570a_100016256518_100000764095 [0,1,0,0,0,0|1,0,2]=4 4488 B12R1.267 CCOCCc1ccccc1Br 34a_100000731337_100000210202 [0,1,0,0,0,0|1,1,0]=3 4489 B12R1.267 CCOCCc1ccccc1Br 34a_100121572206_100012161201 [0,1,0,0,0,0|1,1,0]=3 4490 B12R1.267 CCOCCc1ccccc1Br 7a_100000731337_100000210202 [0,1,0,0,0,0|1,1,0]=3 4491 B12R1.267 CCOCCc1ccccc1C 34a_100011220023_100000210202 [0,1,0,0,0,0|2,0,0]=3 4492 B12R1.267 CCOCCc1ccccc1C 34a_100121572206_100011713688 [0,1,0,0,0,0|2,0,0]=3 4493 B12R1.267 CCOCCc1ccccc1C 7a_100011220023_100000210202 [0,1,0,0,0,0|2,0,0]=3 4494 B12R1.267 CCOCCc1ccccc1Cl 34a_100011215284_100000210202 [0,1,0,0,0,0|1,0,0]=2 4495 B12R1.267 CCOCCc1ccccc1Cl 34a_100121572206_100011713703 [0,1,0,0,0,0|1,0,0]=2 4496 B12R1.267 CCOCCc1ccccc1Cl 7a_100011215284_100000210202 [0,1,0,0,0,0|1,0,0]=2 4497 B12R1.267 CCOCCc1ccccc1F 34a_100000753711_100000210202 [0,1,0,0,0,0|1,1,0]=3 4498 B12R1.267 CCOCCc1ccccc1F 34a_100121572206_100000720011 [0,1,0,0,0,0|1,1,0]=3 4499 B12R1.267 CCOCCc1ccccc1F 7a_100000753711_100000210202 [0,1,0,0,0,0|1,1,0]=3 4500 B12R1.267 CCOCCc1ccccc1I 34a_100010255290_100000210202 [0,1,0,0,0,0|1,1,0]=3 4501 B12R1.267 CCOCCc1ccccc1I 7a_100010255290_100000210202 [0,1,0,0,0,0|1,1,0]=3 4502 B12R1.267 CCOCCc1ccccc1N 34a_100011215289_100000210202 [0,1,0,0,0,0|2,0,0]=3 4503 B12R1.267 CCOCCc1ccccc1O 34a_100121572206_100000722297 [0,1,0,0,0,0|2,0,0]=3 4504 B12R1.267 CCOCCc1ncccc1C 34a_100011997706_100000210202 [0,1,0,0,0,0|3,0,0]=4 4505 B12R1.267 CCOCCc1ncccc1C 7a_100011997706_100000210202 [0,1,0,0,0,0|3,0,0]=4 4506 B12R1.267 CCOCSc1ccccc1Br 62a_100000695589_100000739092 [0,1,0,0,0,0|2,1,0]=4 4507 B12R1.267 CCOCSc1ccccc1Br 62a_100000739092_100000695589 [0,1,0,0,0,0|2,1,0]=4 4508 B12R1.267 CCOCSc1ccccc1C 62a_100000210755_100000739092 [0,1,0,0,0,0|3,0,0]=4 4509 B12R1.267 CCOCSc1ccccc1C 62a_100000739092_100000210755 [0,1,0,0,0,0|3,0,0]=4 4510 B12R1.267 CCOCSc1ccccc1Cl 62a_100000739092_100000764095 [0,1,0,0,0,0|2,0,0]=3 4511 B12R1.267 CCOCSc1ccccc1Cl 62a_100000764095_100000739092 [0,1,0,0,0,0|2,0,0]=3 4512 B12R1.267 CCOCSc1ccccc1F 62a_100000739092_100011215700 [0,1,0,0,0,0|2,1,0]=4 4513 B12R1.267 CCOCSc1ccccc1F 62a_100011215700_100000739092 [0,1,0,0,0,0|2,1,0]=4 4514 B12R1.267 CCOCSc1ccccc1N 62a_100000210017_100000739092 [0,1,0,0,0,0|3,0,0]=4 4515 B12R1.267 CCOCSc1ccccc1N 62a_100000739092_100000210017 [0,1,0,0,0,0|3,0,0]=4 4516 B12R1.267 CCOCSc1ccccc1O 62a_100000739092_100000739446 [0,1,0,0,0,0|3,0,0]=4 4517 B12R1.267 CCOCSc1ccccc1O 62a_100000739446_100000739092 [0,1,0,0,0,0|3,0,0]=4 4518 B12R1.267 CCOCSc1cccnc1Cl 62a_100000036424_100000739092 [0,1,0,0,0,0|3,0,0]=4 4519 B12R1.267 CCOCSc1cccnc1Cl 62a_100000739092_100000036424 [0,1,0,0,0,0|3,0,0]=4 4520 B12R1.267 CCOCSc1ccncc1Cl 62a_100000708259_100000739092 [0,1,0,0,0,0|3,0,0]=4 4521 B12R1.267 CCOCSc1ccncc1Cl 62a_100000739092_100000708259 [0,1,0,0,0,0|3,0,0]=4 4522 B12R1.267 CCOCSc1cnccc1Cl 62a_100000739092_100009995489 [0,1,0,0,0,0|3,0,0]=4 4523 B12R1.267 CCOCSc1cnccc1Cl 62a_100009995489_100000739092 [0,1,0,0,0,0|3,0,0]=4 4524 B12R1.267 CCOCSc1ncccc1Cl 62a_100000739092_100011356963 [0,1,0,0,0,0|3,0,0]=4 4525 B12R1.267 CCOCSc1ncccc1Cl 62a_100011356963_100000739092 [0,1,0,0,0,0|3,0,0]=4 4526 B12R1.267 CCSCCc1ccccc1Br 62a_100000210202_100012161201 [0,1,0,0,0,0|1,1,0]=3 4527 B12R1.267 CCSCCc1ccccc1Br 62a_100012161201_100000210202 [0,1,0,0,0,0|1,1,0]=3 4528 B12R1.267 CCSCCc1ccccc1C 62a_100000210202_100011713688 [0,1,0,0,0,0|2,0,0]=3 4529 B12R1.267 CCSCCc1ccccc1C 62a_100011713688_100000210202 [0,1,0,0,0,0|2,0,0]=3 4530 B12R1.267 CCSCCc1ccccc1Cl 62a_100000210202_100011713703 [0,1,0,0,0,0|1,0,0]=2 4531 B12R1.267 CCSCCc1ccccc1Cl 62a_100011713703_100000210202 [0,1,0,0,0,0|1,0,0]=2 4532 B12R1.267 CCSCCc1ccccc1F 62a_100000210202_100011713696 [0,1,0,0,0,0|1,1,0]=3 4533 B12R1.267 CCSCCc1ccccc1F 62a_100011713696_100000210202 [0,1,0,0,0,0|1,1,0]=3 4534 B12R1.267 CCSCCc1ccccc1O 62a_100000210202_100000722297 [0,1,0,0,0,0|2,0,0]=3 4535 B12R1.267 CCSCCc1ccccc1O 62a_100000722297_100000210202 [0,1,0,0,0,0|2,0,0]=3 4536 B12R1.267 CNCC#Cc1ccccc1Br 2230a_106832991635_100010706765 [0,1,0,0,0,0|0,1,1]=3 4537 B12R1.267 CNCC#Cc1ccccc1Br 34a_100102657272_100010706765 [0,1,0,0,0,0|0,1,1]=3 4538 B12R1.267 CNCC#Cc1ccccc1Br 7a_106832991635_100010706765 [0,1,0,0,0,0|0,1,1]=3 4539 B12R1.267 CNCC#Cc1ccccc1F 2230a_106832991635_100010404167 [0,1,0,0,0,0|0,1,1]=3 4540 B12R1.267 CNCC#Cc1ccccc1F 34a_100102657272_100010404167 [0,1,0,0,0,0|0,1,1]=3 4541 B12R1.267 CNCC#Cc1ccccc1F 7a_106832991635_100010404167 [0,1,0,0,0,0|0,1,1]=3 4542 B12R1.267 CNCC=Cc1ccccc1Br 270004a_106832991635_200016268969 [0,1,0,0,0,0|0,1,1]=3 4543 B12R1.267 CNCC=Cc1ccccc1Cl 270004a_106832991635_200102525841 [0,1,0,0,0,0|0,0,1]=2 4544 B12R1.267 CNCC=Cc1ccccc1F 270004a_106832991635_200102525844 [0,1,0,0,0,0|0,1,1]=3 4545 B12R1.267 CNCCCc1ccccc1Br 2230a_106832991635_200011713681 [0,1,0,0,0,0|0,1,0]=2 4546 B12R1.267 CNCCCc1ccccc1Br 34a_100102657272_200011713681 [0,1,0,0,0,0|0,1,0]=2 4547 B12R1.267 CNCCCc1ccccc1Br 7a_106832991635_200011713681 [0,1,0,0,0,0|0,1,0]=2 4548 B12R1.267 CNCCCc1ccccc1F 2230a_100000724733_200000210301 [0,1,0,0,0,0|0,1,0]=2 4549 B12R1.267 CNCCCc1ccccc1F 34a_100000724733_200000210301 [0,1,0,0,0,0|0,1,0]=2 4550 B12R1.267 CNCCOc1ccccc1Br 2230a_100000744007_200000210301 [0,1,0,0,0,0|0,1,0]=2 4551 B12R1.267 CNCCOc1ccccc1Br 2230a_106832991635_100000695877 [0,1,0,0,0,0|0,1,0]=2 4552 B12R1.267 CNCCOc1ccccc1Br 34a_100000744007_200000210301 [0,1,0,0,0,0|0,1,0]=2 4553 B12R1.267 CNCCOc1ccccc1Br 34a_100102657272_100000695877 [0,1,0,0,0,0|0,1,0]=2 4554 B12R1.267 CNCCOc1ccccc1Br 7a_106832991635_100000695877 [0,1,0,0,0,0|0,1,0]=2 4555 B12R1.267 CNCCOc1ccccc1C 2230a_100000743344_200000210301 [0,1,0,0,0,0|1,0,0]=2 4556 B12R1.267 CNCCOc1ccccc1C 2230a_106832991635_100000184434 [0,1,0,0,0,0|1,0,0]=2 4557 B12R1.267 CNCCOc1ccccc1C 34a_100000743344_200000210301 [0,1,0,0,0,0|1,0,0]=2 4558 B12R1.267 CNCCOc1ccccc1C 34a_100102657272_100000184434 [0,1,0,0,0,0|1,0,0]=2 4559 B12R1.267 CNCCOc1ccccc1C 7a_106832991635_100000184434 [0,1,0,0,0,0|1,0,0]=2 4560 B12R1.267 CNCCOc1ccccc1Cl 2230a_100000174932_200000210301 [0,1,0,0,0,0|0,0,0]=1 4561 B12R1.267 CNCCOc1ccccc1Cl 34a_100000174932_200000210301 [0,1,0,0,0,0|0,0,0]=1 4562 B12R1.267 CNCCOc1ccccc1F 2230a_100000683764_200000210301 [0,1,0,0,0,0|0,1,0]=2 4563 B12R1.267 CNCCOc1ccccc1F 2230a_106832991635_100000183290 [0,1,0,0,0,0|0,1,0]=2 4564 B12R1.267 CNCCOc1ccccc1F 34a_100000683764_200000210301 [0,1,0,0,0,0|0,1,0]=2 4565 B12R1.267 CNCCOc1ccccc1F 34a_100102657272_100000183290 [0,1,0,0,0,0|0,1,0]=2 4566 B12R1.267 CNCCOc1ccccc1F 7a_106832991635_100000183290 [0,1,0,0,0,0|0,1,0]=2 4567 B12R1.267 COCC#Cc1ccccc1Br 34a_100009814404_200000210301 [0,1,0,0,0,0|1,1,1]=4 4568 B12R1.267 COCC#Cc1ccccc1Br 34a_100138415774_100010706765 [0,1,0,0,0,0|1,1,1]=4 4569 B12R1.267 COCC#Cc1ccccc1Br 7a_100009814404_200000210301 [0,1,0,0,0,0|1,1,1]=4 4570 B12R1.267 COCC#Cc1ccccc1C 34a_200011352491_200000210301 [0,1,0,0,0,0|2,0,1]=4 4571 B12R1.267 COCC#Cc1ccccc1C 7a_200011352491_200000210301 [0,1,0,0,0,0|2,0,1]=4 4572 B12R1.267 COCC#Cc1ccccc1Cl 34a_100011219350_200000210301 [0,1,0,0,0,0|1,0,1]=3 4573 B12R1.267 COCC#Cc1ccccc1Cl 7a_100011219350_200000210301 [0,1,0,0,0,0|1,0,1]=3 4574 B12R1.267 COCC#Cc1ccccc1F 34a_100011219114_200000210301 [0,1,0,0,0,0|1,1,1]=4 4575 B12R1.267 COCC#Cc1ccccc1F 34a_100138415774_100010404167 [0,1,0,0,0,0|1,1,1]=4 4576 B12R1.267 COCC#Cc1ccccc1F 7a_100011219114_200000210301 [0,1,0,0,0,0|1,1,1]=4 4577 B12R1.267 COCC=Cc1ccccc1Br 271570a_100016286323_100000695589 [0,1,0,0,0,0|1,1,1]=4 4578 B12R1.267 COCC=Cc1ccccc1C 271570a_100016286323_100000210755 [0,1,0,0,0,0|2,0,1]=4 4579 B12R1.267 COCC=Cc1ccccc1Cl 271570a_100016286323_100000764095 [0,1,0,0,0,0|1,0,1]=3 4580 B12R1.267 COCC=Cc1ccccc1F 271570a_100016286323_100011215700 [0,1,0,0,0,0|1,1,1]=4 4581 B12R1.267 COCC=Cc1ccccc1N 271570a_100016286323_100000210017 [0,1,0,0,0,0|2,0,1]=4 4582 B12R1.267 COCC=Cc1ccccc1O 271570a_100016286323_100000739446 [0,1,0,0,0,0|2,0,1]=4 4583 B12R1.267 COCC=Cc1cccnc1Cl 271570a_100016286323_100000036424 [0,1,0,0,0,0|2,0,1]=4 4584 B12R1.267 COCC=Cc1ccncc1Cl 271570a_100016286323_100000708259 [0,1,0,0,0,0|2,0,1]=4 4585 B12R1.267 COCC=Cc1cnccc1Cl 271570a_100016286323_100009995489 [0,1,0,0,0,0|2,0,1]=4 4586 B12R1.267 COCC=Cc1ncccc1Cl 271570a_100016286323_100011356963 [0,1,0,0,0,0|2,0,1]=4 4587 B12R1.267 COCCCc1ccccc1Br 34a_100000699526_200000210301 [0,1,0,0,0,0|1,1,0]=3 4588 B12R1.267 COCCCc1ccccc1Br 34a_100138415774_200011713681 [0,1,0,0,0,0|1,1,0]=3 4589 B12R1.267 COCCCc1ccccc1Br 7a_100000699526_200000210301 [0,1,0,0,0,0|1,1,0]=3 4590 B12R1.267 COCCCc1ccccc1Cl 34a_100011709251_200000210301 [0,1,0,0,0,0|1,0,0]=2 4591 B12R1.267 COCCCc1ccccc1Cl 7a_100011709251_200000210301 [0,1,0,0,0,0|1,0,0]=2 4592 B12R1.267 COCCCc1ccccc1F 34a_100011709249_200000210301 [0,1,0,0,0,0|1,1,0]=3 4593 B12R1.267 COCCCc1ccccc1F 7a_100011709249_200000210301 [0,1,0,0,0,0|1,1,0]=3 4594 B12R1.267 COCCNc1ccccc1Br 34a_100000210017_100011201679 [0,1,0,0,0,0|1,1,0]=3 4595 B12R1.267 COCCNc1ccccc1C 34a_100011233185_200000210301 [0,1,0,0,0,0|2,0,0]=3 4596 B12R1.267 COCCNc1ccccc1C 34a_100015192222_100011201679 [0,1,0,0,0,0|2,0,0]=3 4597 B12R1.267 COCCNc1ccccc1Cl 34a_100000185783_100011201679 [0,1,0,0,0,0|1,0,0]=2 4598 B12R1.267 COCCNc1ccccc1F 34a_100000210422_100011201679 [0,1,0,0,0,0|1,1,0]=3 4599 B12R1.267 COCCNc1ccccc1I 34a_100000210053_100011201679 [0,1,0,0,0,0|1,1,0]=3 4600 B12R1.267 COCCNc1ccccc1N 34a_100000683943_200000210301 [0,1,0,0,0,0|2,0,0]=3 4601 B12R1.267 COCCNc1ccccc1O 34a_100000185747_100011201679 [0,1,0,0,0,0|2,0,0]=3 4602 B12R1.267 COCCNc1ccncc1Br 27a_100000209980_100000726257 [0,1,0,0,0,0|2,1,0]=4 4603 B12R1.267 COCCNc1ccncc1C 27a_100000209980_100000765111 [0,1,0,0,0,0|3,0,0]=4 4604 B12R1.267 COCCNc1ccncc1F 27a_100000209980_100000035921 [0,1,0,0,0,0|2,1,0]=4 4605 B12R1.267 COCCNc1ncccc1Br 27a_100000209980_100000696092 [0,1,0,0,0,0|2,1,0]=4 4606 B12R1.267 COCCOc1cccc[n+]1[O-] 7a_100000211761_100000233755 [0,1,0,0,0,0|3,0,0]=4 4607 B12R1.267 COCCOc1ccccc1Br 34a_100000181306_100011201679 [0,1,0,0,0,0|1,1,0]=3 4608 B12R1.267 COCCOc1ccccc1Br 34a_100000230753_200000210301 [0,1,0,0,0,0|1,1,0]=3 4609 B12R1.267 COCCOc1ccccc1Br 34a_100138415774_100000695877 [0,1,0,0,0,0|1,1,0]=3 4610 B12R1.267 COCCOc1ccccc1Br 7a_100000181306_100000233755 [0,1,0,0,0,0|1,1,0]=3 4611 B12R1.267 COCCOc1ccccc1Br 7a_100000230753_200000210301 [0,1,0,0,0,0|1,1,0]=3 4612 B12R1.267 COCCOc1ccccc1C 34a_100000210338_100011201679 [0,1,0,0,0,0|2,0,0]=3 4613 B12R1.267 COCCOc1ccccc1C 34a_100138415774_100000184434 [0,1,0,0,0,0|2,0,0]=3 4614 B12R1.267 COCCOc1ccccc1C 7a_100000210338_100000233755 [0,1,0,0,0,0|2,0,0]=3 4615 B12R1.267 COCCOc1ccccc1Cl 34a_100000210172_100011201679 [0,1,0,0,0,0|1,0,0]=2 4616 B12R1.267 COCCOc1ccccc1Cl 34a_200000230518_200000210301 [0,1,0,0,0,0|1,0,0]=2 4617 B12R1.267 COCCOc1ccccc1Cl 7a_100000210172_100000233755 [0,1,0,0,0,0|1,0,0]=2 4618 B12R1.267 COCCOc1ccccc1Cl 7a_200000230518_200000210301 [0,1,0,0,0,0|1,0,0]=2 4619 B12R1.267 COCCOc1ccccc1F 34a_100000210171_100011201679 [0,1,0,0,0,0|1,1,0]=3 4620 B12R1.267 COCCOc1ccccc1F 34a_100000756447_200000210301 [0,1,0,0,0,0|1,1,0]=3 4621 B12R1.267 COCCOc1ccccc1F 34a_100138415774_100000183290 [0,1,0,0,0,0|1,1,0]=3 4622 B12R1.267 COCCOc1ccccc1F 7a_100000210171_100000233755 [0,1,0,0,0,0|1,1,0]=3 4623 B12R1.267 COCCOc1ccccc1F 7a_100000756447_200000210301 [0,1,0,0,0,0|1,1,0]=3 4624 B12R1.267 COCCOc1ccccc1I 34a_100000739446_100011201679 [0,1,0,0,0,0|1,1,0]=3 4625 B12R1.267 COCCOc1ccccc1I 7a_100000739446_100000233755 [0,1,0,0,0,0|1,1,0]=3 4626 B12R1.267 COCCOc1ccccc1N 34a_100000185747_100011201679 [0,1,0,0,0,0|2,0,0]=3 4627 B12R1.267 COCCOc1ccccc1N 34a_100132302172_200000210301 [0,1,0,0,0,0|2,0,0]=3 4628 B12R1.267 COCCOc1ccccc1N 7a_100000185747_100000233755 [0,1,0,0,0,0|2,0,0]=3 4629 B12R1.267 COCCOc1ccccc1O 271570a_203496583355_100000234100 [0,1,0,0,0,0|2,0,0]=3 4630 B12R1.267 COCCOc1cccnc1Br 34a_100000744436_100011201679 [0,1,0,0,0,0|2,1,0]=4 4631 B12R1.267 COCCOc1cccnc1Br 7a_100000744436_100000233755 [0,1,0,0,0,0|2,1,0]=4 4632 B12R1.267 COCCOc1cccnc1C 34a_100000745507_100011201679 [0,1,0,0,0,0|3,0,0]=4 4633 B12R1.267 COCCOc1cccnc1C 7a_100000745507_100000233755 [0,1,0,0,0,0|3,0,0]=4 4634 B12R1.267 COCCOc1cccnc1Cl 34a_100000757616_100011201679 [0,1,0,0,0,0|2,0,0]=3 4635 B12R1.267 COCCOc1cccnc1Cl 7a_100000757616_100000233755 [0,1,0,0,0,0|2,0,0]=3 4636 B12R1.267 COCCOc1cccnc1F 34a_100000061740_100011201679 [0,1,0,0,0,0|2,1,0]=4 4637 B12R1.267 COCCOc1cccnc1F 7a_100000061740_100000233755 [0,1,0,0,0,0|2,1,0]=4 4638 B12R1.267 COCCOc1cccnc1I 34a_100000034122_100011201679 [0,1,0,0,0,0|2,1,0]=4 4639 B12R1.267 COCCOc1cccnc1I 7a_100000034122_100000233755 [0,1,0,0,0,0|2,1,0]=4 4640 B12R1.267 COCCOc1cccnc1N 34a_100000211975_100011201679 [0,1,0,0,0,0|3,0,0]=4 4641 B12R1.267 COCCOc1cccnc1N 7a_100000211975_100000233755 [0,1,0,0,0,0|3,0,0]=4 4642 B12R1.267 COCCOc1cccoc1=O 34a_100000077404_100011201679 [0,1,0,0,0,0|3,0,0]=4 4643 B12R1.267 COCCOc1cccoc1=O 7a_100000077404_100000233755 [0,1,0,0,0,0|3,0,0]=4 4644 B12R1.267 COCCOc1ccncc1Br 34a_100011996408_100011201679 [0,1,0,0,0,0|2,1,0]=4 4645 B12R1.267 COCCOc1ccncc1C 34a_100000694293_100011201679 [0,1,0,0,0,0|3,0,0]=4 4646 B12R1.267 COCCOc1ccncc1Cl 34a_100011997054_100011201679 [0,1,0,0,0,0|2,0,0]=3 4647 B12R1.267 COCCOc1ccncc1F 34a_200000081243_100011201679 [0,1,0,0,0,0|2,1,0]=4 4648 B12R1.267 COCCOc1cnccc1C 34a_100011997053_100011201679 [0,1,0,0,0,0|3,0,0]=4 4649 B12R1.267 COCCOc1cnccc1C 7a_100011997053_100000233755 [0,1,0,0,0,0|3,0,0]=4 4650 B12R1.267 COCCOc1cnccc1Cl 34a_100011996695_100011201679 [0,1,0,0,0,0|2,0,0]=3 4651 B12R1.267 COCCOc1cnccc1I 34a_100000050107_100011201679 [0,1,0,0,0,0|2,1,0]=4 4652 B12R1.267 COCCOc1cnccc1N 34a_100000753702_100011201679 [0,1,0,0,0,0|3,0,0]=4 4653 B12R1.267 COCCOc1coccc1=O 34a_100000060831_100011201679 [0,1,0,0,0,0|3,0,0]=4 4654 B12R1.267 COCCOc1ncccc1Cl 34a_100011290957_100011201679 [0,1,0,0,0,0|2,0,0]=3 4655 B12R1.267 COCCOc1ncccc1F 34a_100011219419_100011201679 [0,1,0,0,0,0|2,1,0]=4 4656 B12R1.267 COCCOc1ncccc1N 34a_100000746358_100011201679 [0,1,0,0,0,0|3,0,0]=4 4657 B12R1.267 COCCOc1ncccc1O 271570a_203496583355_100000754258 [0,1,0,0,0,0|3,0,0]=4 4658 B12R1.267 COCCSc1c[nH]ccc1=O 62a_100000233755_100009998708 [0,1,0,0,0,0|3,0,0]=4 4659 B12R1.267 COCCSc1c[nH]ccc1=O 62a_100009998708_100000233755 [0,1,0,0,0,0|3,0,0]=4 4660 B12R1.267 COCCSc1c[nH]ccc1=S 62a_100000233755_200012280681 [0,1,0,0,0,0|3,0,0]=4 4661 B12R1.267 COCCSc1c[nH]ccc1=S 62a_200012280681_100000233755 [0,1,0,0,0,0|3,0,0]=4 4662 B12R1.267 COCCSc1cccc[n+]1C 62a_100000233755_100000212160 [0,1,0,0,0,0|3,0,0]=4 4663 B12R1.267 COCCSc1cccc[n+]1[O-] 62a_100000233755_200000042595 [0,1,0,0,0,0|3,0,0]=4 4664 B12R1.267 COCCSc1ccccc1Br 34a_200000230852_200000210301 [0,1,0,0,0,0|1,1,0]=3 4665 B12R1.267 COCCSc1ccccc1Br 62a_100000233755_100000695589 [0,1,0,0,0,0|1,1,0]=3 4666 B12R1.267 COCCSc1ccccc1Br 62a_100000695589_100000233755 [0,1,0,0,0,0|1,1,0]=3 4667 B12R1.267 COCCSc1ccccc1Br 7a_200000230852_200000210301 [0,1,0,0,0,0|1,1,0]=3 4668 B12R1.267 COCCSc1ccccc1C 62a_100000210755_100000233755 [0,1,0,0,0,0|2,0,0]=3 4669 B12R1.267 COCCSc1ccccc1C 62a_100000233755_100000210755 [0,1,0,0,0,0|2,0,0]=3 4670 B12R1.267 COCCSc1ccccc1Cl 34a_200000230572_200000210301 [0,1,0,0,0,0|1,0,0]=2 4671 B12R1.267 COCCSc1ccccc1Cl 62a_100000233755_100000764095 [0,1,0,0,0,0|1,0,0]=2 4672 B12R1.267 COCCSc1ccccc1Cl 62a_100000764095_100000233755 [0,1,0,0,0,0|1,0,0]=2 4673 B12R1.267 COCCSc1ccccc1Cl 7a_200000230572_200000210301 [0,1,0,0,0,0|1,0,0]=2 4674 B12R1.267 COCCSc1ccccc1F 34a_200000230732_200000210301 [0,1,0,0,0,0|1,1,0]=3 4675 B12R1.267 COCCSc1ccccc1F 62a_100000233755_100011215700 [0,1,0,0,0,0|1,1,0]=3 4676 B12R1.267 COCCSc1ccccc1F 62a_100011215700_100000233755 [0,1,0,0,0,0|1,1,0]=3 4677 B12R1.267 COCCSc1ccccc1F 7a_200000230732_200000210301 [0,1,0,0,0,0|1,1,0]=3 4678 B12R1.267 COCCSc1ccccc1N 62a_100000210017_100000233755 [0,1,0,0,0,0|2,0,0]=3 4679 B12R1.267 COCCSc1ccccc1N 62a_100000233755_100000210017 [0,1,0,0,0,0|2,0,0]=3 4680 B12R1.267 COCCSc1ccccc1O 271570a_203496583355_200016336083 [0,1,0,0,0,0|2,0,0]=3 4681 B12R1.267 COCCSc1ccccc1O 62a_100000233755_100000739446 [0,1,0,0,0,0|2,0,0]=3 4682 B12R1.267 COCCSc1ccccc1O 62a_100000739446_100000233755 [0,1,0,0,0,0|2,0,0]=3 4683 B12R1.267 COCCSc1cccnc1Br 62a_100000233755_100010202626 [0,1,0,0,0,0|2,1,0]=4 4684 B12R1.267 COCCSc1cccnc1Br 62a_100010202626_100000233755 [0,1,0,0,0,0|2,1,0]=4 4685 B12R1.267 COCCSc1cccnc1C 62a_100000233755_100000751574 [0,1,0,0,0,0|3,0,0]=4 4686 B12R1.267 COCCSc1cccnc1C 62a_100000751574_100000233755 [0,1,0,0,0,0|3,0,0]=4 4687 B12R1.267 COCCSc1cccnc1Cl 62a_100000036424_100000233755 [0,1,0,0,0,0|2,0,0]=3 4688 B12R1.267 COCCSc1cccnc1Cl 62a_100000233755_100000036424 [0,1,0,0,0,0|2,0,0]=3 4689 B12R1.267 COCCSc1cccnc1F 62a_100000233755_100009816115 [0,1,0,0,0,0|2,1,0]=4 4690 B12R1.267 COCCSc1cccnc1F 62a_100009816115_100000233755 [0,1,0,0,0,0|2,1,0]=4 4691 B12R1.267 COCCSc1cccnc1N 62a_100000045569_100000233755 [0,1,0,0,0,0|3,0,0]=4 4692 B12R1.267 COCCSc1cccnc1N 62a_100000233755_100000045569 [0,1,0,0,0,0|3,0,0]=4 4693 B12R1.267 COCCSc1cccnc1O 62a_100000233755_100000760158 [0,1,0,0,0,0|3,0,0]=4 4694 B12R1.267 COCCSc1cccnc1O 62a_100000760158_100000233755 [0,1,0,0,0,0|3,0,0]=4 4695 B12R1.267 COCCSc1ccncc1Br 62a_100000233755_100000726257 [0,1,0,0,0,0|2,1,0]=4 4696 B12R1.267 COCCSc1ccncc1Br 62a_100000726257_100000233755 [0,1,0,0,0,0|2,1,0]=4 4697 B12R1.267 COCCSc1ccncc1C 62a_100000233755_100000765111 [0,1,0,0,0,0|3,0,0]=4 4698 B12R1.267 COCCSc1ccncc1C 62a_100000765111_100000233755 [0,1,0,0,0,0|3,0,0]=4 4699 B12R1.267 COCCSc1ccncc1Cl 62a_100000233755_100000708259 [0,1,0,0,0,0|2,0,0]=3 4700 B12R1.267 COCCSc1ccncc1Cl 62a_100000708259_100000233755 [0,1,0,0,0,0|2,0,0]=3 4701 B12R1.267 COCCSc1ccncc1F 62a_100000047030_100000233755 [0,1,0,0,0,0|2,1,0]=4 4702 B12R1.267 COCCSc1ccncc1F 62a_100000233755_100000047030 [0,1,0,0,0,0|2,1,0]=4 4703 B12R1.267 COCCSc1ccncc1N 62a_100000233755_100000756074 [0,1,0,0,0,0|3,0,0]=4 4704 B12R1.267 COCCSc1ccncc1N 62a_100000756074_100000233755 [0,1,0,0,0,0|3,0,0]=4 4705 B12R1.267 COCCSc1ccncc1O 62a_100000233755_100009817591 [0,1,0,0,0,0|3,0,0]=4 4706 B12R1.267 COCCSc1ccncc1O 62a_100009817591_100000233755 [0,1,0,0,0,0|3,0,0]=4 4707 B12R1.267 COCCSc1cnccc1Br 62a_100000233755_100010138639 [0,1,0,0,0,0|2,1,0]=4 4708 B12R1.267 COCCSc1cnccc1Br 62a_100010138639_100000233755 [0,1,0,0,0,0|2,1,0]=4 4709 B12R1.267 COCCSc1cnccc1C 62a_100000233755_100000761580 [0,1,0,0,0,0|3,0,0]=4 4710 B12R1.267 COCCSc1cnccc1C 62a_100000761580_100000233755 [0,1,0,0,0,0|3,0,0]=4 4711 B12R1.267 COCCSc1cnccc1Cl 62a_100000233755_100009995489 [0,1,0,0,0,0|2,0,0]=3 4712 B12R1.267 COCCSc1cnccc1Cl 62a_100009995489_100000233755 [0,1,0,0,0,0|2,0,0]=3 4713 B12R1.267 COCCSc1cnccc1F 62a_100000233755_100009820683 [0,1,0,0,0,0|2,1,0]=4 4714 B12R1.267 COCCSc1cnccc1F 62a_100009820683_100000233755 [0,1,0,0,0,0|2,1,0]=4 4715 B12R1.267 COCCSc1cnccc1N 62a_100000047001_100000233755 [0,1,0,0,0,0|3,0,0]=4 4716 B12R1.267 COCCSc1cnccc1N 62a_100000233755_100000047001 [0,1,0,0,0,0|3,0,0]=4 4717 B12R1.267 COCCSc1cncnc1Cl 62a_100000233755_100000758962 [0,1,0,0,0,0|3,0,0]=4 4718 B12R1.267 COCCSc1cncnc1Cl 62a_100000758962_100000233755 [0,1,0,0,0,0|3,0,0]=4 4719 B12R1.267 COCCSc1ncccc1Br 62a_100000233755_100000696092 [0,1,0,0,0,0|2,1,0]=4 4720 B12R1.267 COCCSc1ncccc1Br 62a_100000696092_100000233755 [0,1,0,0,0,0|2,1,0]=4 4721 B12R1.267 COCCSc1ncccc1C 62a_100000233755_100000751373 [0,1,0,0,0,0|3,0,0]=4 4722 B12R1.267 COCCSc1ncccc1C 62a_100000751373_100000233755 [0,1,0,0,0,0|3,0,0]=4 4723 B12R1.267 COCCSc1ncccc1Cl 62a_100000233755_100011356963 [0,1,0,0,0,0|2,0,0]=3 4724 B12R1.267 COCCSc1ncccc1Cl 62a_100011356963_100000233755 [0,1,0,0,0,0|2,0,0]=3 4725 B12R1.267 COCCSc1ncccc1F 62a_100000233755_100000685392 [0,1,0,0,0,0|2,1,0]=4 4726 B12R1.267 COCCSc1ncccc1F 62a_100000685392_100000233755 [0,1,0,0,0,0|2,1,0]=4 4727 B12R1.267 COCCSc1ncccc1N 62a_100000233755_100000688686 [0,1,0,0,0,0|3,0,0]=4 4728 B12R1.267 COCCSc1ncccc1N 62a_100000688686_100000233755 [0,1,0,0,0,0|3,0,0]=4 4729 B12R1.267 COCCSc1ncccc1O 62a_100000034122_100000233755 [0,1,0,0,0,0|3,0,0]=4 4730 B12R1.267 COCCSc1ncccc1O 62a_100000233755_100000034122 [0,1,0,0,0,0|3,0,0]=4 4731 B12R1.267 COCCSc1nccnc1Cl 62a_100000233755_100010886584 [0,1,0,0,0,0|3,0,0]=4 4732 B12R1.267 COCCSc1nccnc1Cl 62a_100010886584_100000233755 [0,1,0,0,0,0|3,0,0]=4 4733 B12R1.267 COCNCc1ccccc1Br 2230a_100000689332_100000766300 [0,1,0,0,0,0|1,1,0]=3 4734 B12R1.267 COCNCc1ccccc1Cl 2230a_100000174879_100000766300 [0,1,0,0,0,0|1,0,0]=2 4735 B12R1.267 COCNCc1cccnc1Br 2230a_100009818023_100000766300 [0,1,0,0,0,0|2,1,0]=4 4736 B12R1.267 COCNCc1cccnc1Cl 2230a_100015189234_100000766300 [0,1,0,0,0,0|2,0,0]=3 4737 B12R1.267 COCNCc1ncccc1Cl 2230a_100015189233_100000766300 [0,1,0,0,0,0|2,0,0]=3 4738 B12R1.267 COCNCc1nccnc1Cl 2230a_100000729963_100000766300 [0,1,0,0,0,0|3,0,0]=4 4739 B12R1.267 COCSCc1ccccc1Br 62a_100000184730_100000766300 [0,1,0,0,0,0|1,1,0]=3 4740 B12R1.267 COCSCc1ccccc1Br 62a_100000766300_100000184730 [0,1,0,0,0,0|1,1,0]=3 4741 B12R1.267 COCSCc1ccccc1C 62a_100000211839_100000766300 [0,1,0,0,0,0|2,0,0]=3 4742 B12R1.267 COCSCc1ccccc1C 62a_100000766300_100000211839 [0,1,0,0,0,0|2,0,0]=3 4743 B12R1.267 COCSCc1ccccc1Cl 62a_100000187162_100000766300 [0,1,0,0,0,0|1,0,0]=2 4744 B12R1.267 COCSCc1ccccc1Cl 62a_100000766300_100000187162 [0,1,0,0,0,0|1,0,0]=2 4745 B12R1.267 COCSCc1ccccc1F 62a_100000211605_100000766300 [0,1,0,0,0,0|1,1,0]=3 4746 B12R1.267 COCSCc1ccccc1F 62a_100000766300_100000211605 [0,1,0,0,0,0|1,1,0]=3 4747 B12R1.267 COCSCc1ccccc1I 62a_100000766300_100011216222 [0,1,0,0,0,0|1,1,0]=3 4748 B12R1.267 COCSCc1ccccc1I 62a_100011216222_100000766300 [0,1,0,0,0,0|1,1,0]=3 4749 B12R1.267 COCSCc1cccnc1Br 62a_100000766300_100010140945 [0,1,0,0,0,0|2,1,0]=4 4750 B12R1.267 COCSCc1cccnc1Br 62a_100010140945_100000766300 [0,1,0,0,0,0|2,1,0]=4 4751 B12R1.267 COCSCc1cccnc1C 62a_100000732876_100000766300 [0,1,0,0,0,0|3,0,0]=4 4752 B12R1.267 COCSCc1cccnc1C 62a_100000766300_100000732876 [0,1,0,0,0,0|3,0,0]=4 4753 B12R1.267 COCSCc1cccnc1Cl 62a_100000045678_100000766300 [0,1,0,0,0,0|2,0,0]=3 4754 B12R1.267 COCSCc1cccnc1Cl 62a_100000766300_100000045678 [0,1,0,0,0,0|2,0,0]=3 4755 B12R1.267 COCSCc1cccnc1F 62a_100000099810_100000766300 [0,1,0,0,0,0|2,1,0]=4 4756 B12R1.267 COCSCc1cccnc1F 62a_100000766300_100000099810 [0,1,0,0,0,0|2,1,0]=4 4757 B12R1.267 COCSCc1ccncc1C 62a_100000766300_100020672808 [0,1,0,0,0,0|3,0,0]=4 4758 B12R1.267 COCSCc1ccncc1C 62a_100020672808_100000766300 [0,1,0,0,0,0|3,0,0]=4 4759 B12R1.267 COCSCc1ccncc1Cl 62a_100000763264_100000766300 [0,1,0,0,0,0|2,0,0]=3 4760 B12R1.267 COCSCc1ccncc1Cl 62a_100000766300_100000763264 [0,1,0,0,0,0|2,0,0]=3 4761 B12R1.267 COCSCc1cnccc1C 62a_100000690890_100000766300 [0,1,0,0,0,0|3,0,0]=4 4762 B12R1.267 COCSCc1cnccc1C 62a_100000766300_100000690890 [0,1,0,0,0,0|3,0,0]=4 4763 B12R1.267 COCSCc1ncccc1Br 62a_100000766300_100025702911 [0,1,0,0,0,0|2,1,0]=4 4764 B12R1.267 COCSCc1ncccc1Br 62a_100025702911_100000766300 [0,1,0,0,0,0|2,1,0]=4 4765 B12R1.267 COCSCc1ncccc1C 62a_100000696600_100000766300 [0,1,0,0,0,0|3,0,0]=4 4766 B12R1.267 COCSCc1ncccc1C 62a_100000766300_100000696600 [0,1,0,0,0,0|3,0,0]=4 4767 B12R1.267 COCSCc1ncccc1Cl 62a_100000099807_100000766300 [0,1,0,0,0,0|2,0,0]=3 4768 B12R1.267 COCSCc1ncccc1Cl 62a_100000766300_100000099807 [0,1,0,0,0,0|2,0,0]=3 4769 B12R1.267 COCSCc1ncccc1F 62a_100000104219_100000766300 [0,1,0,0,0,0|2,1,0]=4 4770 B12R1.267 COCSCc1ncccc1F 62a_100000766300_100000104219 [0,1,0,0,0,0|2,1,0]=4 4771 B12R1.267 COCSCc1ncccc1O 62a_100000766300_200020655725 [0,1,0,0,0,0|3,0,0]=4 4772 B12R1.267 COCSCc1ncccc1O 62a_200020655725_100000766300 [0,1,0,0,0,0|3,0,0]=4 4773 B12R1.267 CSCC#Cc1ccccc1Br 62a_100010706765_200000210301 [0,1,0,0,0,0|1,1,1]=4 4774 B12R1.267 CSCC#Cc1ccccc1Br 62a_200000210301_100010706765 [0,1,0,0,0,0|1,1,1]=4 4775 B12R1.267 CSCC#Cc1ccccc1F 62a_100010404167_200000210301 [0,1,0,0,0,0|1,1,1]=4 4776 B12R1.267 CSCC#Cc1ccccc1F 62a_200000210301_100010404167 [0,1,0,0,0,0|1,1,1]=4 4777 B12R1.267 CSCCCc1ccccc1Br 62a_200000210301_200011713681 [0,1,0,0,0,0|1,1,0]=3 4778 B12R1.267 CSCCCc1ccccc1Br 62a_200011713681_200000210301 [0,1,0,0,0,0|1,1,0]=3 4779 B12R1.267 CSCCNc1ccccc1Br 34a_100000210017_100000212216 [0,1,0,0,0,0|1,1,0]=3 4780 B12R1.267 CSCCNc1ccccc1C 34a_100015192222_100000212216 [0,1,0,0,0,0|2,0,0]=3 4781 B12R1.267 CSCCNc1ccccc1Cl 34a_100000185783_100000212216 [0,1,0,0,0,0|1,0,0]=2 4782 B12R1.267 CSCCNc1ccccc1F 34a_100000210422_100000212216 [0,1,0,0,0,0|1,1,0]=3 4783 B12R1.267 CSCCNc1ccccc1I 34a_100000210053_100000212216 [0,1,0,0,0,0|1,1,0]=3 4784 B12R1.267 CSCCNc1ccccc1O 34a_100000185747_100000212216 [0,1,0,0,0,0|2,0,0]=3 4785 B12R1.267 CSCCNc1ccncc1Br 27a_100020590264_100000726257 [0,1,0,0,0,0|2,1,0]=4 4786 B12R1.267 CSCCNc1ccncc1C 27a_100020590264_100000765111 [0,1,0,0,0,0|3,0,0]=4 4787 B12R1.267 CSCCNc1ccncc1F 27a_100020590264_100000035921 [0,1,0,0,0,0|2,1,0]=4 4788 B12R1.267 CSCCNc1ncccc1Br 27a_100020590264_100000696092 [0,1,0,0,0,0|2,1,0]=4 4789 B12R1.267 CSCCOc1cccc[n+]1[O-] 7a_100000211761_100000212216 [0,1,0,0,0,0|3,0,0]=4 4790 B12R1.267 CSCCOc1ccccc1Br 34a_100000181306_100000212216 [0,1,0,0,0,0|1,1,0]=3 4791 B12R1.267 CSCCOc1ccccc1Br 62a_100000695877_200000210301 [0,1,0,0,0,0|1,1,0]=3 4792 B12R1.267 CSCCOc1ccccc1Br 62a_200000210301_100000695877 [0,1,0,0,0,0|1,1,0]=3 4793 B12R1.267 CSCCOc1ccccc1Br 7a_100000181306_100000212216 [0,1,0,0,0,0|1,1,0]=3 4794 B12R1.267 CSCCOc1ccccc1C 34a_100000210338_100000212216 [0,1,0,0,0,0|2,0,0]=3 4795 B12R1.267 CSCCOc1ccccc1C 62a_100000184434_200000210301 [0,1,0,0,0,0|2,0,0]=3 4796 B12R1.267 CSCCOc1ccccc1C 62a_200000210301_100000184434 [0,1,0,0,0,0|2,0,0]=3 4797 B12R1.267 CSCCOc1ccccc1C 7a_100000210338_100000212216 [0,1,0,0,0,0|2,0,0]=3 4798 B12R1.267 CSCCOc1ccccc1Cl 34a_100000210172_100000212216 [0,1,0,0,0,0|1,0,0]=2 4799 B12R1.267 CSCCOc1ccccc1Cl 7a_100000210172_100000212216 [0,1,0,0,0,0|1,0,0]=2 4800 B12R1.267 CSCCOc1ccccc1F 34a_100000210171_100000212216 [0,1,0,0,0,0|1,1,0]=3 4801 B12R1.267 CSCCOc1ccccc1F 62a_100000183290_200000210301 [0,1,0,0,0,0|1,1,0]=3 4802 B12R1.267 CSCCOc1ccccc1F 62a_200000210301_100000183290 [0,1,0,0,0,0|1,1,0]=3 4803 B12R1.267 CSCCOc1ccccc1F 7a_100000210171_100000212216 [0,1,0,0,0,0|1,1,0]=3 4804 B12R1.267 CSCCOc1ccccc1I 34a_100000739446_100000212216 [0,1,0,0,0,0|1,1,0]=3 4805 B12R1.267 CSCCOc1ccccc1I 7a_100000739446_100000212216 [0,1,0,0,0,0|1,1,0]=3 4806 B12R1.267 CSCCOc1ccccc1N 34a_100000185747_100000212216 [0,1,0,0,0,0|2,0,0]=3 4807 B12R1.267 CSCCOc1ccccc1N 7a_100000185747_100000212216 [0,1,0,0,0,0|2,0,0]=3 4808 B12R1.267 CSCCOc1cccnc1Br 34a_100000744436_100000212216 [0,1,0,0,0,0|2,1,0]=4 4809 B12R1.267 CSCCOc1cccnc1Br 7a_100000744436_100000212216 [0,1,0,0,0,0|2,1,0]=4 4810 B12R1.267 CSCCOc1cccnc1C 34a_100000745507_100000212216 [0,1,0,0,0,0|3,0,0]=4 4811 B12R1.267 CSCCOc1cccnc1C 7a_100000745507_100000212216 [0,1,0,0,0,0|3,0,0]=4 4812 B12R1.267 CSCCOc1cccnc1Cl 34a_100000757616_100000212216 [0,1,0,0,0,0|2,0,0]=3 4813 B12R1.267 CSCCOc1cccnc1Cl 7a_100000757616_100000212216 [0,1,0,0,0,0|2,0,0]=3 4814 B12R1.267 CSCCOc1cccnc1F 34a_100000061740_100000212216 [0,1,0,0,0,0|2,1,0]=4 4815 B12R1.267 CSCCOc1cccnc1F 7a_100000061740_100000212216 [0,1,0,0,0,0|2,1,0]=4 4816 B12R1.267 CSCCOc1cccnc1I 34a_100000034122_100000212216 [0,1,0,0,0,0|2,1,0]=4 4817 B12R1.267 CSCCOc1cccnc1I 7a_100000034122_100000212216 [0,1,0,0,0,0|2,1,0]=4 4818 B12R1.267 CSCCOc1cccnc1N 34a_100000211975_100000212216 [0,1,0,0,0,0|3,0,0]=4 4819 B12R1.267 CSCCOc1cccnc1N 7a_100000211975_100000212216 [0,1,0,0,0,0|3,0,0]=4 4820 B12R1.267 CSCCOc1cccoc1=O 34a_100000077404_100000212216 [0,1,0,0,0,0|3,0,0]=4 4821 B12R1.267 CSCCOc1cccoc1=O 7a_100000077404_100000212216 [0,1,0,0,0,0|3,0,0]=4 4822 B12R1.267 CSCCOc1ccncc1Br 34a_100011996408_100000212216 [0,1,0,0,0,0|2,1,0]=4 4823 B12R1.267 CSCCOc1ccncc1C 34a_100000694293_100000212216 [0,1,0,0,0,0|3,0,0]=4 4824 B12R1.267 CSCCOc1ccncc1Cl 34a_100011997054_100000212216 [0,1,0,0,0,0|2,0,0]=3 4825 B12R1.267 CSCCOc1ccncc1F 34a_200000081243_100000212216 [0,1,0,0,0,0|2,1,0]=4 4826 B12R1.267 CSCCOc1cnccc1C 34a_100011997053_100000212216 [0,1,0,0,0,0|3,0,0]=4 4827 B12R1.267 CSCCOc1cnccc1C 7a_100011997053_100000212216 [0,1,0,0,0,0|3,0,0]=4 4828 B12R1.267 CSCCOc1cnccc1Cl 34a_100011996695_100000212216 [0,1,0,0,0,0|2,0,0]=3 4829 B12R1.267 CSCCOc1cnccc1I 34a_100000050107_100000212216 [0,1,0,0,0,0|2,1,0]=4 4830 B12R1.267 CSCCOc1cnccc1N 34a_100000753702_100000212216 [0,1,0,0,0,0|3,0,0]=4 4831 B12R1.267 CSCCOc1coccc1=O 34a_100000060831_100000212216 [0,1,0,0,0,0|3,0,0]=4 4832 B12R1.267 CSCCOc1ncccc1Cl 34a_100011290957_100000212216 [0,1,0,0,0,0|2,0,0]=3 4833 B12R1.267 CSCCOc1ncccc1F 34a_100011219419_100000212216 [0,1,0,0,0,0|2,1,0]=4 4834 B12R1.267 CSCCOc1ncccc1N 34a_100000746358_100000212216 [0,1,0,0,0,0|3,0,0]=4 4835 B12R1.267 CSCCSc1c[nH]ccc1=O 62a_100000212216_100009998708 [0,1,0,0,0,0|3,0,0]=4 4836 B12R1.267 CSCCSc1c[nH]ccc1=O 62a_100009998708_100000751147 [0,1,0,0,0,0|3,0,0]=4 4837 B12R1.267 CSCCSc1c[nH]ccc1=S 62a_100000212216_200012280681 [0,1,0,0,0,0|3,0,0]=4 4838 B12R1.267 CSCCSc1c[nH]ccc1=S 62a_200012280681_100000751147 [0,1,0,0,0,0|3,0,0]=4 4839 B12R1.267 CSCCSc1cccc[n+]1C 62a_100000212216_100000212160 [0,1,0,0,0,0|3,0,0]=4 4840 B12R1.267 CSCCSc1cccc[n+]1[O-] 62a_100000212216_200000042595 [0,1,0,0,0,0|3,0,0]=4 4841 B12R1.267 CSCCSc1ccccc1Br 62a_100000212216_100000695589 [0,1,0,0,0,0|1,1,0]=3 4842 B12R1.267 CSCCSc1ccccc1Br 62a_100000695589_100000751147 [0,1,0,0,0,0|1,1,0]=3 4843 B12R1.267 CSCCSc1ccccc1C 62a_100000210755_100000751147 [0,1,0,0,0,0|2,0,0]=3 4844 B12R1.267 CSCCSc1ccccc1C 62a_100000212216_100000210755 [0,1,0,0,0,0|2,0,0]=3 4845 B12R1.267 CSCCSc1ccccc1Cl 62a_100000212216_100000764095 [0,1,0,0,0,0|1,0,0]=2 4846 B12R1.267 CSCCSc1ccccc1Cl 62a_100000764095_100000751147 [0,1,0,0,0,0|1,0,0]=2 4847 B12R1.267 CSCCSc1ccccc1F 62a_100000212216_100011215700 [0,1,0,0,0,0|1,1,0]=3 4848 B12R1.267 CSCCSc1ccccc1F 62a_100011215700_100000751147 [0,1,0,0,0,0|1,1,0]=3 4849 B12R1.267 CSCCSc1ccccc1N 62a_100000210017_100000751147 [0,1,0,0,0,0|2,0,0]=3 4850 B12R1.267 CSCCSc1ccccc1N 62a_100000212216_100000210017 [0,1,0,0,0,0|2,0,0]=3 4851 B12R1.267 CSCCSc1ccccc1O 62a_100000212216_100000739446 [0,1,0,0,0,0|2,0,0]=3 4852 B12R1.267 CSCCSc1ccccc1O 62a_100000739446_100000751147 [0,1,0,0,0,0|2,0,0]=3 4853 B12R1.267 CSCCSc1cccnc1Br 62a_100000212216_100010202626 [0,1,0,0,0,0|2,1,0]=4 4854 B12R1.267 CSCCSc1cccnc1Br 62a_100010202626_100000751147 [0,1,0,0,0,0|2,1,0]=4 4855 B12R1.267 CSCCSc1cccnc1C 62a_100000212216_100000751574 [0,1,0,0,0,0|3,0,0]=4 4856 B12R1.267 CSCCSc1cccnc1C 62a_100000751574_100000751147 [0,1,0,0,0,0|3,0,0]=4 4857 B12R1.267 CSCCSc1cccnc1Cl 62a_100000036424_100000751147 [0,1,0,0,0,0|2,0,0]=3 4858 B12R1.267 CSCCSc1cccnc1Cl 62a_100000212216_100000036424 [0,1,0,0,0,0|2,0,0]=3 4859 B12R1.267 CSCCSc1cccnc1F 62a_100000212216_100009816115 [0,1,0,0,0,0|2,1,0]=4 4860 B12R1.267 CSCCSc1cccnc1F 62a_100009816115_100000751147 [0,1,0,0,0,0|2,1,0]=4 4861 B12R1.267 CSCCSc1cccnc1N 62a_100000045569_100000751147 [0,1,0,0,0,0|3,0,0]=4 4862 B12R1.267 CSCCSc1cccnc1N 62a_100000212216_100000045569 [0,1,0,0,0,0|3,0,0]=4 4863 B12R1.267 CSCCSc1cccnc1O 62a_100000212216_100000760158 [0,1,0,0,0,0|3,0,0]=4 4864 B12R1.267 CSCCSc1cccnc1O 62a_100000760158_100000751147 [0,1,0,0,0,0|3,0,0]=4 4865 B12R1.267 CSCCSc1ccncc1Br 62a_100000212216_100000726257 [0,1,0,0,0,0|2,1,0]=4 4866 B12R1.267 CSCCSc1ccncc1Br 62a_100000726257_100000751147 [0,1,0,0,0,0|2,1,0]=4 4867 B12R1.267 CSCCSc1ccncc1C 62a_100000212216_100000765111 [0,1,0,0,0,0|3,0,0]=4 4868 B12R1.267 CSCCSc1ccncc1C 62a_100000765111_100000751147 [0,1,0,0,0,0|3,0,0]=4 4869 B12R1.267 CSCCSc1ccncc1Cl 62a_100000212216_100000708259 [0,1,0,0,0,0|2,0,0]=3 4870 B12R1.267 CSCCSc1ccncc1Cl 62a_100000708259_100000751147 [0,1,0,0,0,0|2,0,0]=3 4871 B12R1.267 CSCCSc1ccncc1F 62a_100000047030_100000751147 [0,1,0,0,0,0|2,1,0]=4 4872 B12R1.267 CSCCSc1ccncc1F 62a_100000212216_100000047030 [0,1,0,0,0,0|2,1,0]=4 4873 B12R1.267 CSCCSc1ccncc1N 62a_100000212216_100000756074 [0,1,0,0,0,0|3,0,0]=4 4874 B12R1.267 CSCCSc1ccncc1N 62a_100000756074_100000751147 [0,1,0,0,0,0|3,0,0]=4 4875 B12R1.267 CSCCSc1ccncc1O 62a_100000212216_100009817591 [0,1,0,0,0,0|3,0,0]=4 4876 B12R1.267 CSCCSc1ccncc1O 62a_100009817591_100000751147 [0,1,0,0,0,0|3,0,0]=4 4877 B12R1.267 CSCCSc1cnccc1Br 62a_100000212216_100010138639 [0,1,0,0,0,0|2,1,0]=4 4878 B12R1.267 CSCCSc1cnccc1Br 62a_100010138639_100000751147 [0,1,0,0,0,0|2,1,0]=4 4879 B12R1.267 CSCCSc1cnccc1C 62a_100000212216_100000761580 [0,1,0,0,0,0|3,0,0]=4 4880 B12R1.267 CSCCSc1cnccc1C 62a_100000761580_100000751147 [0,1,0,0,0,0|3,0,0]=4 4881 B12R1.267 CSCCSc1cnccc1Cl 62a_100000212216_100009995489 [0,1,0,0,0,0|2,0,0]=3 4882 B12R1.267 CSCCSc1cnccc1Cl 62a_100009995489_100000751147 [0,1,0,0,0,0|2,0,0]=3 4883 B12R1.267 CSCCSc1cnccc1F 62a_100000212216_100009820683 [0,1,0,0,0,0|2,1,0]=4 4884 B12R1.267 CSCCSc1cnccc1F 62a_100009820683_100000751147 [0,1,0,0,0,0|2,1,0]=4 4885 B12R1.267 CSCCSc1cnccc1N 62a_100000047001_100000751147 [0,1,0,0,0,0|3,0,0]=4 4886 B12R1.267 CSCCSc1cnccc1N 62a_100000212216_100000047001 [0,1,0,0,0,0|3,0,0]=4 4887 B12R1.267 CSCCSc1cncnc1Cl 62a_100000212216_100000758962 [0,1,0,0,0,0|3,0,0]=4 4888 B12R1.267 CSCCSc1cncnc1Cl 62a_100000758962_100000751147 [0,1,0,0,0,0|3,0,0]=4 4889 B12R1.267 CSCCSc1ncccc1Br 62a_100000212216_100000696092 [0,1,0,0,0,0|2,1,0]=4 4890 B12R1.267 CSCCSc1ncccc1Br 62a_100000696092_100000751147 [0,1,0,0,0,0|2,1,0]=4 4891 B12R1.267 CSCCSc1ncccc1C 62a_100000212216_100000751373 [0,1,0,0,0,0|3,0,0]=4 4892 B12R1.267 CSCCSc1ncccc1C 62a_100000751373_100000751147 [0,1,0,0,0,0|3,0,0]=4 4893 B12R1.267 CSCCSc1ncccc1Cl 62a_100000212216_100011356963 [0,1,0,0,0,0|2,0,0]=3 4894 B12R1.267 CSCCSc1ncccc1Cl 62a_100011356963_100000751147 [0,1,0,0,0,0|2,0,0]=3 4895 B12R1.267 CSCCSc1ncccc1F 62a_100000212216_100000685392 [0,1,0,0,0,0|2,1,0]=4 4896 B12R1.267 CSCCSc1ncccc1F 62a_100000685392_100000751147 [0,1,0,0,0,0|2,1,0]=4 4897 B12R1.267 CSCCSc1ncccc1N 62a_100000212216_100000688686 [0,1,0,0,0,0|3,0,0]=4 4898 B12R1.267 CSCCSc1ncccc1N 62a_100000688686_100000751147 [0,1,0,0,0,0|3,0,0]=4 4899 B12R1.267 CSCCSc1ncccc1O 62a_100000034122_100000751147 [0,1,0,0,0,0|3,0,0]=4 4900 B12R1.267 CSCCSc1ncccc1O 62a_100000212216_100000034122 [0,1,0,0,0,0|3,0,0]=4 4901 B12R1.267 CSCCSc1nccnc1Cl 62a_100000212216_100010886584 [0,1,0,0,0,0|3,0,0]=4 4902 B12R1.267 CSCCSc1nccnc1Cl 62a_100010886584_100000751147 [0,1,0,0,0,0|3,0,0]=4 4903 B12R1.267 CSCNCc1ccccc1Br 2230a_100000689332_100011218213 [0,1,0,0,0,0|1,1,0]=3 4904 B12R1.267 CSCNCc1ccccc1Br 34a_100000689332_100011218213 [0,1,0,0,0,0|1,1,0]=3 4905 B12R1.267 CSCNCc1ccccc1C 34a_100000174972_100011218213 [0,1,0,0,0,0|2,0,0]=3 4906 B12R1.267 CSCNCc1ccccc1Cl 2230a_100000174879_100011218213 [0,1,0,0,0,0|1,0,0]=2 4907 B12R1.267 CSCNCc1ccccc1Cl 34a_100000174879_100011218213 [0,1,0,0,0,0|1,0,0]=2 4908 B12R1.267 CSCNCc1ccccc1F 34a_100000174869_100011218213 [0,1,0,0,0,0|1,1,0]=3 4909 B12R1.267 CSCNCc1ccccc1O 34a_100000185550_100011218213 [0,1,0,0,0,0|2,0,0]=3 4910 B12R1.267 CSCNCc1cccnc1Br 2230a_100009818023_100011218213 [0,1,0,0,0,0|2,1,0]=4 4911 B12R1.267 CSCNCc1cccnc1Br 34a_100009818023_100011218213 [0,1,0,0,0,0|2,1,0]=4 4912 B12R1.267 CSCNCc1cccnc1Cl 2230a_100015189234_100011218213 [0,1,0,0,0,0|2,0,0]=3 4913 B12R1.267 CSCNCc1cccnc1Cl 34a_100015189234_100011218213 [0,1,0,0,0,0|2,0,0]=3 4914 B12R1.267 CSCNCc1cccnc1F 34a_100000724633_100011218213 [0,1,0,0,0,0|2,1,0]=4 4915 B12R1.267 CSCNCc1ccncc1F 34a_100011935246_100011218213 [0,1,0,0,0,0|2,1,0]=4 4916 B12R1.267 CSCNCc1ncccc1C 34a_100011223789_100011218213 [0,1,0,0,0,0|3,0,0]=4 4917 B12R1.267 CSCNCc1ncccc1Cl 2230a_100015189233_100011218213 [0,1,0,0,0,0|2,0,0]=3 4918 B12R1.267 CSCNCc1ncccc1F 34a_100000690088_100011218213 [0,1,0,0,0,0|2,1,0]=4 4919 B12R1.267 CSCNCc1nccnc1Cl 2230a_100000729963_100011218213 [0,1,0,0,0,0|3,0,0]=4 4920 B12R1.267 CSCOCc1ccccc1Br 34a_100000756307_100011218213 [0,1,0,0,0,0|1,1,0]=3 4921 B12R1.267 CSCOCc1ccccc1C 34a_100000698903_100011218213 [0,1,0,0,0,0|2,0,0]=3 4922 B12R1.267 CSCOCc1ccccc1Cl 34a_100000210847_100011218213 [0,1,0,0,0,0|1,0,0]=2 4923 B12R1.267 CSCOCc1ccccc1F 34a_100000211962_100011218213 [0,1,0,0,0,0|1,1,0]=3 4924 B12R1.267 CSCOCc1ccccc1I 34a_100000187465_100011218213 [0,1,0,0,0,0|1,1,0]=3 4925 B12R1.267 CSCOCc1ccccc1N 34a_100000212039_100011218213 [0,1,0,0,0,0|2,0,0]=3 4926 B12R1.267 CSCOCc1cccnc1Br 34a_100000719692_100011218213 [0,1,0,0,0,0|2,1,0]=4 4927 B12R1.267 CSCOCc1cccnc1C 34a_100000729262_100011218213 [0,1,0,0,0,0|3,0,0]=4 4928 B12R1.267 CSCOCc1cccnc1Cl 34a_100000748726_100011218213 [0,1,0,0,0,0|2,0,0]=3 4929 B12R1.267 CSCOCc1cccnc1F 34a_100000079888_100011218213 [0,1,0,0,0,0|2,1,0]=4 4930 B12R1.267 CSCOCc1ccncc1C 34a_100011997032_100011218213 [0,1,0,0,0,0|3,0,0]=4 4931 B12R1.267 CSCOCc1ccncc1F 34a_100012172863_100011218213 [0,1,0,0,0,0|2,1,0]=4 4932 B12R1.267 CSCOCc1cnccc1C 34a_100011996381_100011218213 [0,1,0,0,0,0|3,0,0]=4 4933 B12R1.267 CSCOCc1cnccc1Cl 34a_100000117392_100011218213 [0,1,0,0,0,0|2,0,0]=3 4934 B12R1.267 CSCOCc1ncccc1Br 34a_100011996772_100011218213 [0,1,0,0,0,0|2,1,0]=4 4935 B12R1.267 CSCOCc1ncccc1C 34a_100000698912_100011218213 [0,1,0,0,0,0|3,0,0]=4 4936 B12R1.267 CSCOCc1ncccc1Cl 34a_100012002383_100011218213 [0,1,0,0,0,0|2,0,0]=3 4937 B12R1.267 CSCOCc1ncccc1F 34a_100011934865_100011218213 [0,1,0,0,0,0|2,1,0]=4 4938 B12R1.267 CSCOCc1ncccc1N 34a_114873767017_100011218213 [0,1,0,0,0,0|3,0,0]=4 4939 B12R1.267 CSCOCc1nccnc1Cl 34a_100000057004_100011218213 [0,1,0,0,0,0|3,0,0]=4 4940 B12R1.267 CSCSCc1ccccc1Br 62a_100000184730_100011218213 [0,1,0,0,0,0|1,1,0]=3 4941 B12R1.267 CSCSCc1ccccc1Br 62a_100011218213_100000184730 [0,1,0,0,0,0|1,1,0]=3 4942 B12R1.267 CSCSCc1ccccc1C 62a_100000211839_100011218213 [0,1,0,0,0,0|2,0,0]=3 4943 B12R1.267 CSCSCc1ccccc1C 62a_100011218213_100000211839 [0,1,0,0,0,0|2,0,0]=3 4944 B12R1.267 CSCSCc1ccccc1Cl 62a_100000187162_100011218213 [0,1,0,0,0,0|1,0,0]=2 4945 B12R1.267 CSCSCc1ccccc1Cl 62a_100011218213_100000187162 [0,1,0,0,0,0|1,0,0]=2 4946 B12R1.267 CSCSCc1ccccc1F 62a_100000211605_100011218213 [0,1,0,0,0,0|1,1,0]=3 4947 B12R1.267 CSCSCc1ccccc1F 62a_100011218213_100000211605 [0,1,0,0,0,0|1,1,0]=3 4948 B12R1.267 CSCSCc1ccccc1I 62a_100011216222_100011218213 [0,1,0,0,0,0|1,1,0]=3 4949 B12R1.267 CSCSCc1ccccc1I 62a_100011218213_100011216222 [0,1,0,0,0,0|1,1,0]=3 4950 B12R1.267 CSCSCc1cccnc1Br 62a_100010140945_100011218213 [0,1,0,0,0,0|2,1,0]=4 4951 B12R1.267 CSCSCc1cccnc1Br 62a_100011218213_100010140945 [0,1,0,0,0,0|2,1,0]=4 4952 B12R1.267 CSCSCc1cccnc1C 62a_100000732876_100011218213 [0,1,0,0,0,0|3,0,0]=4 4953 B12R1.267 CSCSCc1cccnc1C 62a_100011218213_100000732876 [0,1,0,0,0,0|3,0,0]=4 4954 B12R1.267 CSCSCc1cccnc1Cl 62a_100000045678_100011218213 [0,1,0,0,0,0|2,0,0]=3 4955 B12R1.267 CSCSCc1cccnc1Cl 62a_100011218213_100000045678 [0,1,0,0,0,0|2,0,0]=3 4956 B12R1.267 CSCSCc1cccnc1F 62a_100000099810_100011218213 [0,1,0,0,0,0|2,1,0]=4 4957 B12R1.267 CSCSCc1cccnc1F 62a_100011218213_100000099810 [0,1,0,0,0,0|2,1,0]=4 4958 B12R1.267 CSCSCc1ccncc1C 62a_100011218213_100020672808 [0,1,0,0,0,0|3,0,0]=4 4959 B12R1.267 CSCSCc1ccncc1C 62a_100020672808_100011218213 [0,1,0,0,0,0|3,0,0]=4 4960 B12R1.267 CSCSCc1ccncc1Cl 62a_100000763264_100011218213 [0,1,0,0,0,0|2,0,0]=3 4961 B12R1.267 CSCSCc1ccncc1Cl 62a_100011218213_100000763264 [0,1,0,0,0,0|2,0,0]=3 4962 B12R1.267 CSCSCc1cnccc1C 62a_100000690890_100011218213 [0,1,0,0,0,0|3,0,0]=4 4963 B12R1.267 CSCSCc1cnccc1C 62a_100011218213_100000690890 [0,1,0,0,0,0|3,0,0]=4 4964 B12R1.267 CSCSCc1ncccc1Br 62a_100011218213_100025702911 [0,1,0,0,0,0|2,1,0]=4 4965 B12R1.267 CSCSCc1ncccc1Br 62a_100025702911_100011218213 [0,1,0,0,0,0|2,1,0]=4 4966 B12R1.267 CSCSCc1ncccc1C 62a_100000696600_100011218213 [0,1,0,0,0,0|3,0,0]=4 4967 B12R1.267 CSCSCc1ncccc1C 62a_100011218213_100000696600 [0,1,0,0,0,0|3,0,0]=4 4968 B12R1.267 CSCSCc1ncccc1Cl 62a_100000099807_100011218213 [0,1,0,0,0,0|2,0,0]=3 4969 B12R1.267 CSCSCc1ncccc1Cl 62a_100011218213_100000099807 [0,1,0,0,0,0|2,0,0]=3 4970 B12R1.267 CSCSCc1ncccc1F 62a_100000104219_100011218213 [0,1,0,0,0,0|2,1,0]=4 4971 B12R1.267 CSCSCc1ncccc1F 62a_100011218213_100000104219 [0,1,0,0,0,0|2,1,0]=4 4972 B12R1.267 CSCSCc1ncccc1O 62a_100011218213_200020655725 [0,1,0,0,0,0|3,0,0]=4 4973 B12R1.267 CSCSCc1ncccc1O 62a_200020655725_100011218213 [0,1,0,0,0,0|3,0,0]=4 4974 B12R1.267 Cc1ccccc1C#CCO[13CH3] 34a_200011352491_200025704644 [0,1,0,0,0,0|2,0,1]=4 4975 B12R1.267 Cc1ccccc1C#CCO[13CH3] 7a_200011352491_200025704644 [0,1,0,0,0,0|2,0,1]=4 4976 B12R1.267 Cc1ccccc1CCNCF 34a_100000685071_100015361967 [0,1,0,0,0,0|1,0,0]=2 4977 B12R1.267 Cc1ccccc1CCOCF 34a_100011220023_100015361967 [0,1,0,0,0,0|2,0,0]=3 4978 B12R1.267 Cc1ccccc1CCOCF 7a_100011220023_100015361967 [0,1,0,0,0,0|2,0,0]=3 4979 B12R1.267 Cc1ccccc1CCSCF 62a_100011713688_100015361967 [0,1,0,0,0,0|2,0,0]=3 4980 B12R1.267 Cc1ccccc1CCSCF 62a_100015361967_100011713688 [0,1,0,0,0,0|2,0,0]=3 4981 B12R1.267 Cc1ccccc1CNCC=O 34a_100000174972_200009817547 [0,1,0,0,0,0|3,0,0]=4 4982 B12R1.267 Cc1ccccc1CNCCF 34a_100000174972_100011217306 [0,1,0,0,0,0|3,0,0]=4 4983 B12R1.267 Cc1ccccc1CNCCF 34a_100000724931_100000211839 [0,1,0,0,0,0|3,0,0]=4 4984 B12R1.267 Cc1ccccc1CNCCO 207a_100000210304_100000211143 [0,1,0,0,0,0|3,0,0]=4 4985 B12R1.267 Cc1ccccc1CNCCO 2230a_100016997473_100000211839 [0,1,0,0,0,0|3,0,0]=4 4986 B12R1.267 Cc1ccccc1CNCCO 270004a_100000210304_100000211143 [0,1,0,0,0,0|3,0,0]=4 4987 B12R1.267 Cc1ccccc1CNCCO 34a_100000174972_100000211926 [0,1,0,0,0,0|3,0,0]=4 4988 B12R1.267 Cc1ccccc1CNCCO 34a_100016990907_100000211839 [0,1,0,0,0,0|3,0,0]=4 4989 B12R1.267 Cc1ccccc1COCC#N 7a_100000698903_100011215382 [0,1,0,0,0,0|3,0,0]=4 4990 B12R1.267 Cc1ccccc1COCC=O 34a_100000698903_200009817547 [0,1,0,0,0,0|3,0,0]=4 4991 B12R1.267 Cc1ccccc1COCC=O 7a_100000698903_200015260668 [0,1,0,0,0,0|3,0,0]=4 4992 B12R1.267 Cc1ccccc1COCCBr 34a_100000211926_100000211839 [0,1,0,0,0,0|3,0,0]=4 4993 B12R1.267 Cc1ccccc1COCCF 34a_100000698903_100011217306 [0,1,0,0,0,0|3,0,0]=4 4994 B12R1.267 Cc1ccccc1COCCF 7a_100000698903_100011217306 [0,1,0,0,0,0|3,0,0]=4 4995 B12R1.267 Cc1ccccc1COCCN 34a_100000210304_100000211839 [0,1,0,0,0,0|3,0,0]=4 4996 B12R1.267 Cc1ccccc1COCCO 34a_100000698903_100000211926 [0,1,0,0,0,0|3,0,0]=4 4997 B12R1.267 Cc1ccccc1COCCO 7a_100000698903_100000211926 [0,1,0,0,0,0|3,0,0]=4 4998 B12R1.267 Cc1ccccc1CSCC#N 62a_100000211839_100011215382 [0,1,0,0,0,0|3,0,0]=4 4999 B12R1.267 Cc1ccccc1CSCC#N 62a_100011215382_100000211839 [0,1,0,0,0,0|3,0,0]=4 5000 B12R1.267 Cc1ccccc1CSCC=O 62a_100000211839_200015260668 [0,1,0,0,0,0|3,0,0]=4 5001 B12R1.267 Cc1ccccc1CSCC=O 62a_200015260668_100000211839 [0,1,0,0,0,0|3,0,0]=4 5002 B12R1.267 Cc1ccccc1CSCCF 62a_100000211839_100011217306 [0,1,0,0,0,0|3,0,0]=4 5003 B12R1.267 Cc1ccccc1CSCCF 62a_100011217306_100000211839 [0,1,0,0,0,0|3,0,0]=4 5004 B12R1.267 Cc1ccccc1CSCCO 62a_100000211839_100000211926 [0,1,0,0,0,0|3,0,0]=4 5005 B12R1.267 Cc1ccccc1CSCCO 62a_100000211926_100000211839 [0,1,0,0,0,0|3,0,0]=4 5006 B12R1.267 Cc1ccccc1NCCCF 34a_100015192222_100011934791 [0,1,0,0,0,0|3,0,0]=4 5007 B12R1.267 Cc1ccccc1NCCCO 34a_100015192222_100000230001 [0,1,0,0,0,0|3,0,0]=4 5008 B12R1.267 Cc1ccccc1NCCO[13CH3] 34a_100011233185_200025704644 [0,1,0,0,0,0|2,0,0]=3 5009 B12R1.267 Cc1ccccc1OCCC#N 7a_100000210338_100000184422 [0,1,0,0,0,0|3,0,0]=4 5010 B12R1.267 Cc1ccccc1OCCCF 34a_100000210338_100011934791 [0,1,0,0,0,0|3,0,0]=4 5011 B12R1.267 Cc1ccccc1OCCCF 7a_100000210338_100011934791 [0,1,0,0,0,0|3,0,0]=4 5012 B12R1.267 Cc1ccccc1OCCCO 34a_100000210338_100000230001 [0,1,0,0,0,0|3,0,0]=4 5013 B12R1.267 Cc1ccccc1OCCCO 7a_100000210338_100011215043 [0,1,0,0,0,0|3,0,0]=4 5014 B12R1.267 Cc1ccccc1OCCN[13CH3] 2230a_100000743344_200025704644 [0,1,0,0,0,0|1,0,0]=2 5015 B12R1.267 Cc1ccccc1OCCN[13CH3] 34a_100000743344_200025704644 [0,1,0,0,0,0|1,0,0]=2 5016 B12R1.267 Cc1ccccc1OCCS[13CH3] 62a_100000184434_200025704644 [0,1,0,0,0,0|2,0,0]=3 5017 B12R1.267 Cc1ccccc1OCCS[13CH3] 62a_200025704644_100000184434 [0,1,0,0,0,0|2,0,0]=3 5018 B12R1.267 Cc1ccccc1SCCC#N 62a_100000210755_100011215226 [0,1,0,0,0,0|3,0,0]=4 5019 B12R1.267 Cc1ccccc1SCCC#N 62a_100011215226_100000210755 [0,1,0,0,0,0|3,0,0]=4 5020 B12R1.267 Cc1ccccc1SCCCF 62a_100000210755_100011934791 [0,1,0,0,0,0|3,0,0]=4 5021 B12R1.267 Cc1ccccc1SCCCF 62a_100011934791_100000210755 [0,1,0,0,0,0|3,0,0]=4 5022 B12R1.267 Cc1ccccc1SCCCO 62a_100000210755_100011215043 [0,1,0,0,0,0|3,0,0]=4 5023 B12R1.267 Cc1ccccc1SCCCO 62a_100011215043_100000210755 [0,1,0,0,0,0|3,0,0]=4 5024 B12R1.267 Cc1cccnc1CCOCF 34a_100011997706_100015361967 [0,1,0,0,0,0|3,0,0]=4 5025 B12R1.267 Cc1cccnc1CCOCF 7a_100011997706_100015361967 [0,1,0,0,0,0|3,0,0]=4 5026 B12R1.267 Clc1ccccc1COCCBr 34a_100000211926_100000187162 [0,1,0,0,0,0|2,0,0]=3 5027 B12R1.267 Clc1ncccc1COCCBr 34a_100000211926_100000045678 [0,1,0,0,0,0|3,0,0]=4 5028 B12R1.267 FCCCNc1ccccc1Br 34a_100000210017_100011934791 [0,1,0,0,0,0|2,1,0]=4 5029 B12R1.267 FCCCNc1ccccc1Cl 34a_100000185783_100011934791 [0,1,0,0,0,0|2,0,0]=3 5030 B12R1.267 FCCCNc1ccccc1F 34a_100000210422_100011934791 [0,1,0,0,0,0|2,1,0]=4 5031 B12R1.267 FCCCNc1ccccc1I 34a_100000210053_100011934791 [0,1,0,0,0,0|2,1,0]=4 5032 B12R1.267 FCCCOc1ccccc1Br 34a_100000181306_100011934791 [0,1,0,0,0,0|2,1,0]=4 5033 B12R1.267 FCCCOc1ccccc1Br 7a_100000181306_100011934791 [0,1,0,0,0,0|2,1,0]=4 5034 B12R1.267 FCCCOc1ccccc1Cl 34a_100000210172_100011934791 [0,1,0,0,0,0|2,0,0]=3 5035 B12R1.267 FCCCOc1ccccc1Cl 7a_100000210172_100011934791 [0,1,0,0,0,0|2,0,0]=3 5036 B12R1.267 FCCCOc1ccccc1F 34a_100000210171_100011934791 [0,1,0,0,0,0|2,1,0]=4 5037 B12R1.267 FCCCOc1ccccc1F 7a_100000210171_100011934791 [0,1,0,0,0,0|2,1,0]=4 5038 B12R1.267 FCCCOc1ccccc1I 34a_100000739446_100011934791 [0,1,0,0,0,0|2,1,0]=4 5039 B12R1.267 FCCCOc1ccccc1I 7a_100000739446_100011934791 [0,1,0,0,0,0|2,1,0]=4 5040 B12R1.267 FCCCOc1cccnc1Cl 34a_100000757616_100011934791 [0,1,0,0,0,0|3,0,0]=4 5041 B12R1.267 FCCCOc1cccnc1Cl 7a_100000757616_100011934791 [0,1,0,0,0,0|3,0,0]=4 5042 B12R1.267 FCCCOc1ccncc1Cl 34a_100011997054_100011934791 [0,1,0,0,0,0|3,0,0]=4 5043 B12R1.267 FCCCOc1cnccc1Cl 34a_100011996695_100011934791 [0,1,0,0,0,0|3,0,0]=4 5044 B12R1.267 FCCCOc1ncccc1Cl 34a_100011290957_100011934791 [0,1,0,0,0,0|3,0,0]=4 5045 B12R1.267 FCCCSc1ccccc1Br 62a_100000695589_100011934791 [0,1,0,0,0,0|2,1,0]=4 5046 B12R1.267 FCCCSc1ccccc1Br 62a_100011934791_100000695589 [0,1,0,0,0,0|2,1,0]=4 5047 B12R1.267 FCCCSc1ccccc1Cl 62a_100000764095_100011934791 [0,1,0,0,0,0|2,0,0]=3 5048 B12R1.267 FCCCSc1ccccc1Cl 62a_100011934791_100000764095 [0,1,0,0,0,0|2,0,0]=3 5049 B12R1.267 FCCCSc1ccccc1F 62a_100011215700_100011934791 [0,1,0,0,0,0|2,1,0]=4 5050 B12R1.267 FCCCSc1ccccc1F 62a_100011934791_100011215700 [0,1,0,0,0,0|2,1,0]=4 5051 B12R1.267 FCCCSc1cccnc1Cl 62a_100000036424_100011934791 [0,1,0,0,0,0|3,0,0]=4 5052 B12R1.267 FCCCSc1cccnc1Cl 62a_100011934791_100000036424 [0,1,0,0,0,0|3,0,0]=4 5053 B12R1.267 FCCCSc1ccncc1Cl 62a_100000708259_100011934791 [0,1,0,0,0,0|3,0,0]=4 5054 B12R1.267 FCCCSc1ccncc1Cl 62a_100011934791_100000708259 [0,1,0,0,0,0|3,0,0]=4 5055 B12R1.267 FCCCSc1cnccc1Cl 62a_100009995489_100011934791 [0,1,0,0,0,0|3,0,0]=4 5056 B12R1.267 FCCCSc1cnccc1Cl 62a_100011934791_100009995489 [0,1,0,0,0,0|3,0,0]=4 5057 B12R1.267 FCCCSc1ncccc1Cl 62a_100011356963_100011934791 [0,1,0,0,0,0|3,0,0]=4 5058 B12R1.267 FCCCSc1ncccc1Cl 62a_100011934791_100011356963 [0,1,0,0,0,0|3,0,0]=4 5059 B12R1.267 FCCNCc1ccccc1Br 2230a_100000689332_100011217306 [0,1,0,0,0,0|2,1,0]=4 5060 B12R1.267 FCCNCc1ccccc1Br 34a_100000689332_100011217306 [0,1,0,0,0,0|2,1,0]=4 5061 B12R1.267 FCCNCc1ccccc1Br 34a_100000724931_100000184730 [0,1,0,0,0,0|2,1,0]=4 5062 B12R1.267 FCCNCc1ccccc1Cl 2230a_100000174879_100011217306 [0,1,0,0,0,0|2,0,0]=3 5063 B12R1.267 FCCNCc1ccccc1Cl 34a_100000174879_100011217306 [0,1,0,0,0,0|2,0,0]=3 5064 B12R1.267 FCCNCc1ccccc1Cl 34a_100000724931_100000187162 [0,1,0,0,0,0|2,0,0]=3 5065 B12R1.267 FCCNCc1ccccc1F 34a_100000174869_100011217306 [0,1,0,0,0,0|2,1,0]=4 5066 B12R1.267 FCCNCc1ccccc1F 34a_100000724931_100000211605 [0,1,0,0,0,0|2,1,0]=4 5067 B12R1.267 FCCNCc1ccccc1I 34a_100000724931_100011215278 [0,1,0,0,0,0|2,1,0]=4 5068 B12R1.267 FCCNCc1cccnc1Cl 2230a_100015189234_100011217306 [0,1,0,0,0,0|3,0,0]=4 5069 B12R1.267 FCCNCc1cccnc1Cl 34a_100000724931_100000045678 [0,1,0,0,0,0|3,0,0]=4 5070 B12R1.267 FCCNCc1cccnc1Cl 34a_100015189234_100011217306 [0,1,0,0,0,0|3,0,0]=4 5071 B12R1.267 FCCNCc1ncccc1Cl 2230a_100015189233_100011217306 [0,1,0,0,0,0|3,0,0]=4 5072 B12R1.267 FCCOCc1ccccc1Br 34a_100000756307_100011217306 [0,1,0,0,0,0|2,1,0]=4 5073 B12R1.267 FCCOCc1ccccc1Br 7a_100000756307_100011217306 [0,1,0,0,0,0|2,1,0]=4 5074 B12R1.267 FCCOCc1ccccc1Cl 34a_100000210847_100011217306 [0,1,0,0,0,0|2,0,0]=3 5075 B12R1.267 FCCOCc1ccccc1Cl 7a_100000210847_100011217306 [0,1,0,0,0,0|2,0,0]=3 5076 B12R1.267 FCCOCc1ccccc1F 34a_100000211962_100011217306 [0,1,0,0,0,0|2,1,0]=4 5077 B12R1.267 FCCOCc1ccccc1F 7a_100000211962_100011217306 [0,1,0,0,0,0|2,1,0]=4 5078 B12R1.267 FCCOCc1ccccc1I 34a_100000187465_100011217306 [0,1,0,0,0,0|2,1,0]=4 5079 B12R1.267 FCCOCc1ccccc1I 7a_100000187465_100011217306 [0,1,0,0,0,0|2,1,0]=4 5080 B12R1.267 FCCOCc1cccnc1Cl 34a_100000748726_100011217306 [0,1,0,0,0,0|3,0,0]=4 5081 B12R1.267 FCCOCc1cccnc1Cl 7a_100000748726_100011217306 [0,1,0,0,0,0|3,0,0]=4 5082 B12R1.267 FCCOCc1cnccc1Cl 34a_100000117392_100011217306 [0,1,0,0,0,0|3,0,0]=4 5083 B12R1.267 FCCOCc1ncccc1Cl 34a_100012002383_100011217306 [0,1,0,0,0,0|3,0,0]=4 5084 B12R1.267 FCCSCc1ccccc1Br 62a_100000184730_100011217306 [0,1,0,0,0,0|2,1,0]=4 5085 B12R1.267 FCCSCc1ccccc1Br 62a_100011217306_100000184730 [0,1,0,0,0,0|2,1,0]=4 5086 B12R1.267 FCCSCc1ccccc1Cl 62a_100000187162_100011217306 [0,1,0,0,0,0|2,0,0]=3 5087 B12R1.267 FCCSCc1ccccc1Cl 62a_100011217306_100000187162 [0,1,0,0,0,0|2,0,0]=3 5088 B12R1.267 FCCSCc1ccccc1F 62a_100000211605_100011217306 [0,1,0,0,0,0|2,1,0]=4 5089 B12R1.267 FCCSCc1ccccc1F 62a_100011217306_100000211605 [0,1,0,0,0,0|2,1,0]=4 5090 B12R1.267 FCCSCc1ccccc1I 62a_100011216222_100011217306 [0,1,0,0,0,0|2,1,0]=4 5091 B12R1.267 FCCSCc1ccccc1I 62a_100011217306_100011216222 [0,1,0,0,0,0|2,1,0]=4 5092 B12R1.267 FCCSCc1cccnc1Cl 62a_100000045678_100011217306 [0,1,0,0,0,0|3,0,0]=4 5093 B12R1.267 FCCSCc1cccnc1Cl 62a_100011217306_100000045678 [0,1,0,0,0,0|3,0,0]=4 5094 B12R1.267 FCCSCc1ccncc1Cl 62a_100000763264_100011217306 [0,1,0,0,0,0|3,0,0]=4 5095 B12R1.267 FCCSCc1ccncc1Cl 62a_100011217306_100000763264 [0,1,0,0,0,0|3,0,0]=4 5096 B12R1.267 FCCSCc1ncccc1Cl 62a_100000099807_100011217306 [0,1,0,0,0,0|3,0,0]=4 5097 B12R1.267 FCCSCc1ncccc1Cl 62a_100011217306_100000099807 [0,1,0,0,0,0|3,0,0]=4 5098 B12R1.267 FCNCCc1ccccc1Br 34a_100000747383_100015361967 [0,1,0,0,0,0|0,1,0]=2 5099 B12R1.267 FCNCCc1ccccc1Cl 34a_100011207228_100015361967 [0,1,0,0,0,0|0,0,0]=1 5100 B12R1.267 FCNCCc1ccccc1F 34a_100000185272_100015361967 [0,1,0,0,0,0|0,1,0]=2 5101 B12R1.267 FCOCCc1ccccc1Br 34a_100000731337_100015361967 [0,1,0,0,0,0|1,1,0]=3 5102 B12R1.267 FCOCCc1ccccc1Br 7a_100000731337_100015361967 [0,1,0,0,0,0|1,1,0]=3 5103 B12R1.267 FCOCCc1ccccc1Cl 34a_100011215284_100015361967 [0,1,0,0,0,0|1,0,0]=2 5104 B12R1.267 FCOCCc1ccccc1Cl 7a_100011215284_100015361967 [0,1,0,0,0,0|1,0,0]=2 5105 B12R1.267 FCOCCc1ccccc1F 34a_100000753711_100015361967 [0,1,0,0,0,0|1,1,0]=3 5106 B12R1.267 FCOCCc1ccccc1F 7a_100000753711_100015361967 [0,1,0,0,0,0|1,1,0]=3 5107 B12R1.267 FCOCCc1ccccc1I 34a_100010255290_100015361967 [0,1,0,0,0,0|1,1,0]=3 5108 B12R1.267 FCOCCc1ccccc1I 7a_100010255290_100015361967 [0,1,0,0,0,0|1,1,0]=3 5109 B12R1.267 FCSCCc1ccccc1Br 62a_100012161201_100015361967 [0,1,0,0,0,0|1,1,0]=3 5110 B12R1.267 FCSCCc1ccccc1Br 62a_100015361967_100012161201 [0,1,0,0,0,0|1,1,0]=3 5111 B12R1.267 FCSCCc1ccccc1Cl 62a_100011713703_100015361967 [0,1,0,0,0,0|1,0,0]=2 5112 B12R1.267 FCSCCc1ccccc1Cl 62a_100015361967_100011713703 [0,1,0,0,0,0|1,0,0]=2 5113 B12R1.267 FCSCCc1ccccc1F 62a_100011713696_100015361967 [0,1,0,0,0,0|1,1,0]=3 5114 B12R1.267 FCSCCc1ccccc1F 62a_100015361967_100011713696 [0,1,0,0,0,0|1,1,0]=3 5115 B12R1.267 Fc1ccccc1COCCBr 34a_100000211926_100000211605 [0,1,0,0,0,0|2,1,0]=4 5116 B12R1.267 N#CCCOc1ccccc1Br 7a_100000181306_100000184422 [0,1,0,0,0,0|2,1,0]=4 5117 B12R1.267 N#CCCOc1ccccc1Cl 7a_100000210172_100000184422 [0,1,0,0,0,0|2,0,0]=3 5118 B12R1.267 N#CCCOc1ccccc1F 7a_100000210171_100000184422 [0,1,0,0,0,0|2,1,0]=4 5119 B12R1.267 N#CCCOc1ccccc1I 7a_100000739446_100000184422 [0,1,0,0,0,0|2,1,0]=4 5120 B12R1.267 N#CCCOc1ccccc1N 7a_100000185747_100000184422 [0,1,0,0,0,0|3,0,0]=4 5121 B12R1.267 N#CCCOc1cccnc1Cl 7a_100000757616_100000184422 [0,1,0,0,0,0|3,0,0]=4 5122 B12R1.267 N#CCCSc1ccccc1Br 62a_100000695589_100011215226 [0,1,0,0,0,0|2,1,0]=4 5123 B12R1.267 N#CCCSc1ccccc1Br 62a_100011215226_100000695589 [0,1,0,0,0,0|2,1,0]=4 5124 B12R1.267 N#CCCSc1ccccc1Cl 62a_100000764095_100011215226 [0,1,0,0,0,0|2,0,0]=3 5125 B12R1.267 N#CCCSc1ccccc1Cl 62a_100011215226_100000764095 [0,1,0,0,0,0|2,0,0]=3 5126 B12R1.267 N#CCCSc1ccccc1F 62a_100011215226_100011215700 [0,1,0,0,0,0|2,1,0]=4 5127 B12R1.267 N#CCCSc1ccccc1F 62a_100011215700_100011215226 [0,1,0,0,0,0|2,1,0]=4 5128 B12R1.267 N#CCCSc1ccccc1N 62a_100000210017_100011215226 [0,1,0,0,0,0|3,0,0]=4 5129 B12R1.267 N#CCCSc1ccccc1N 62a_100011215226_100000210017 [0,1,0,0,0,0|3,0,0]=4 5130 B12R1.267 N#CCCSc1ccccc1O 62a_100000739446_100011215226 [0,1,0,0,0,0|3,0,0]=4 5131 B12R1.267 N#CCCSc1ccccc1O 62a_100011215226_100000739446 [0,1,0,0,0,0|3,0,0]=4 5132 B12R1.267 N#CCCSc1cccnc1Cl 62a_100000036424_100011215226 [0,1,0,0,0,0|3,0,0]=4 5133 B12R1.267 N#CCCSc1cccnc1Cl 62a_100011215226_100000036424 [0,1,0,0,0,0|3,0,0]=4 5134 B12R1.267 N#CCCSc1ccncc1Cl 62a_100000708259_100011215226 [0,1,0,0,0,0|3,0,0]=4 5135 B12R1.267 N#CCCSc1ccncc1Cl 62a_100011215226_100000708259 [0,1,0,0,0,0|3,0,0]=4 5136 B12R1.267 N#CCCSc1cnccc1Cl 62a_100009995489_100011215226 [0,1,0,0,0,0|3,0,0]=4 5137 B12R1.267 N#CCCSc1cnccc1Cl 62a_100011215226_100009995489 [0,1,0,0,0,0|3,0,0]=4 5138 B12R1.267 N#CCCSc1ncccc1Cl 62a_100011215226_100011356963 [0,1,0,0,0,0|3,0,0]=4 5139 B12R1.267 N#CCCSc1ncccc1Cl 62a_100011356963_100011215226 [0,1,0,0,0,0|3,0,0]=4 5140 B12R1.267 N#CCNCc1ccccc1Br 2230a_100000689332_100011215382 [0,1,0,0,0,0|2,1,0]=4 5141 B12R1.267 N#CCNCc1ccccc1Cl 2230a_100000174879_100011215382 [0,1,0,0,0,0|2,0,0]=3 5142 B12R1.267 N#CCNCc1cccnc1Cl 2230a_100015189234_100011215382 [0,1,0,0,0,0|3,0,0]=4 5143 B12R1.267 N#CCNCc1ncccc1Cl 2230a_100015189233_100011215382 [0,1,0,0,0,0|3,0,0]=4 5144 B12R1.267 N#CCOCc1ccccc1Br 7a_100000756307_100011215382 [0,1,0,0,0,0|2,1,0]=4 5145 B12R1.267 N#CCOCc1ccccc1Cl 7a_100000210847_100011215382 [0,1,0,0,0,0|2,0,0]=3 5146 B12R1.267 N#CCOCc1ccccc1F 7a_100000211962_100011215382 [0,1,0,0,0,0|2,1,0]=4 5147 B12R1.267 N#CCOCc1ccccc1I 7a_100000187465_100011215382 [0,1,0,0,0,0|2,1,0]=4 5148 B12R1.267 N#CCOCc1cccnc1Cl 7a_100000748726_100011215382 [0,1,0,0,0,0|3,0,0]=4 5149 B12R1.267 N#CCSCc1ccccc1Br 62a_100000184730_100011215382 [0,1,0,0,0,0|2,1,0]=4 5150 B12R1.267 N#CCSCc1ccccc1Br 62a_100011215382_100000184730 [0,1,0,0,0,0|2,1,0]=4 5151 B12R1.267 N#CCSCc1ccccc1Cl 62a_100000187162_100011215382 [0,1,0,0,0,0|2,0,0]=3 5152 B12R1.267 N#CCSCc1ccccc1Cl 62a_100011215382_100000187162 [0,1,0,0,0,0|2,0,0]=3 5153 B12R1.267 N#CCSCc1ccccc1F 62a_100000211605_100011215382 [0,1,0,0,0,0|2,1,0]=4 5154 B12R1.267 N#CCSCc1ccccc1F 62a_100011215382_100000211605 [0,1,0,0,0,0|2,1,0]=4 5155 B12R1.267 N#CCSCc1ccccc1I 62a_100011215382_100011216222 [0,1,0,0,0,0|2,1,0]=4 5156 B12R1.267 N#CCSCc1ccccc1I 62a_100011216222_100011215382 [0,1,0,0,0,0|2,1,0]=4 5157 B12R1.267 N#CCSCc1cccnc1Cl 62a_100000045678_100011215382 [0,1,0,0,0,0|3,0,0]=4 5158 B12R1.267 N#CCSCc1cccnc1Cl 62a_100011215382_100000045678 [0,1,0,0,0,0|3,0,0]=4 5159 B12R1.267 N#CCSCc1ccncc1Cl 62a_100000763264_100011215382 [0,1,0,0,0,0|3,0,0]=4 5160 B12R1.267 N#CCSCc1ccncc1Cl 62a_100011215382_100000763264 [0,1,0,0,0,0|3,0,0]=4 5161 B12R1.267 N#CCSCc1ncccc1Cl 62a_100000099807_100011215382 [0,1,0,0,0,0|3,0,0]=4 5162 B12R1.267 N#CCSCc1ncccc1Cl 62a_100011215382_100000099807 [0,1,0,0,0,0|3,0,0]=4 5163 B12R1.267 N#CSCSc1ccccc1Cl 62a_100000211825_100000764095 [0,1,0,0,0,0|2,0,1]=4 5164 B12R1.267 N#CSCSc1ccccc1Cl 62a_100000764095_100000211825 [0,1,0,0,0,0|2,0,1]=4 5165 B12R1.267 NCCOCc1ccccc1Br 34a_100000210304_100000184730 [0,1,0,0,0,0|2,1,0]=4 5166 B12R1.267 NCCOCc1ccccc1Cl 34a_100000210304_100000187162 [0,1,0,0,0,0|2,0,0]=3 5167 B12R1.267 NCCOCc1ccccc1F 34a_100000210304_100000211605 [0,1,0,0,0,0|2,1,0]=4 5168 B12R1.267 NCCOCc1ccccc1I 34a_100000210304_100011215278 [0,1,0,0,0,0|2,1,0]=4 5169 B12R1.267 NCCOCc1cccnc1Cl 34a_100000210304_100000045678 [0,1,0,0,0,0|3,0,0]=4 5170 B12R1.267 Nc1ccccc1CCOCF 34a_100011215289_100015361967 [0,1,0,0,0,0|2,0,0]=3 5171 B12R1.267 Nc1ccccc1COCC=O 34a_100000212039_200009817547 [0,1,0,0,0,0|3,0,0]=4 5172 B12R1.267 Nc1ccccc1COCCF 34a_100000212039_100011217306 [0,1,0,0,0,0|3,0,0]=4 5173 B12R1.267 Nc1ccccc1COCCO 34a_100000212039_100000211926 [0,1,0,0,0,0|3,0,0]=4 5174 B12R1.267 Nc1ccccc1OCCCF 34a_100000185747_100011934791 [0,1,0,0,0,0|3,0,0]=4 5175 B12R1.267 Nc1ccccc1OCCCF 7a_100000185747_100011934791 [0,1,0,0,0,0|3,0,0]=4 5176 B12R1.267 Nc1ccccc1OCCCO 34a_100000185747_100000230001 [0,1,0,0,0,0|3,0,0]=4 5177 B12R1.267 Nc1ccccc1OCCCO 7a_100000185747_100011215043 [0,1,0,0,0,0|3,0,0]=4 5178 B12R1.267 Nc1ccccc1SCCCF 62a_100000210017_100011934791 [0,1,0,0,0,0|3,0,0]=4 5179 B12R1.267 Nc1ccccc1SCCCF 62a_100011934791_100000210017 [0,1,0,0,0,0|3,0,0]=4 5180 B12R1.267 Nc1ccccc1SCCCO 62a_100000210017_100011215043 [0,1,0,0,0,0|3,0,0]=4 5181 B12R1.267 Nc1ccccc1SCCCO 62a_100011215043_100000210017 [0,1,0,0,0,0|3,0,0]=4 5182 B12R1.267 O=CCNCc1ccccc1Br 2230a_100000689332_200015260668 [0,1,0,0,0,0|2,1,0]=4 5183 B12R1.267 O=CCNCc1ccccc1Br 34a_100000689332_200009817547 [0,1,0,0,0,0|2,1,0]=4 5184 B12R1.267 O=CCNCc1ccccc1Cl 2230a_100000174879_200015260668 [0,1,0,0,0,0|2,0,0]=3 5185 B12R1.267 O=CCNCc1ccccc1Cl 34a_100000174879_200009817547 [0,1,0,0,0,0|2,0,0]=3 5186 B12R1.267 O=CCNCc1ccccc1F 34a_100000174869_200009817547 [0,1,0,0,0,0|2,1,0]=4 5187 B12R1.267 O=CCNCc1ccccc1O 34a_100000185550_200009817547 [0,1,0,0,0,0|3,0,0]=4 5188 B12R1.267 O=CCNCc1cccnc1Cl 2230a_100015189234_200015260668 [0,1,0,0,0,0|3,0,0]=4 5189 B12R1.267 O=CCNCc1cccnc1Cl 34a_100015189234_200009817547 [0,1,0,0,0,0|3,0,0]=4 5190 B12R1.267 O=CCNCc1ncccc1Cl 2230a_100015189233_200015260668 [0,1,0,0,0,0|3,0,0]=4 5191 B12R1.267 O=CCOCc1ccccc1Br 34a_100000756307_200009817547 [0,1,0,0,0,0|2,1,0]=4 5192 B12R1.267 O=CCOCc1ccccc1Br 7a_100000756307_200015260668 [0,1,0,0,0,0|2,1,0]=4 5193 B12R1.267 O=CCOCc1ccccc1Cl 34a_100000210847_200009817547 [0,1,0,0,0,0|2,0,0]=3 5194 B12R1.267 O=CCOCc1ccccc1Cl 7a_100000210847_200015260668 [0,1,0,0,0,0|2,0,0]=3 5195 B12R1.267 O=CCOCc1ccccc1F 34a_100000211962_200009817547 [0,1,0,0,0,0|2,1,0]=4 5196 B12R1.267 O=CCOCc1ccccc1F 7a_100000211962_200015260668 [0,1,0,0,0,0|2,1,0]=4 5197 B12R1.267 O=CCOCc1ccccc1I 34a_100000187465_200009817547 [0,1,0,0,0,0|2,1,0]=4 5198 B12R1.267 O=CCOCc1ccccc1I 7a_100000187465_200015260668 [0,1,0,0,0,0|2,1,0]=4 5199 B12R1.267 O=CCOCc1cccnc1Cl 34a_100000748726_200009817547 [0,1,0,0,0,0|3,0,0]=4 5200 B12R1.267 O=CCOCc1cccnc1Cl 7a_100000748726_200015260668 [0,1,0,0,0,0|3,0,0]=4 5201 B12R1.267 O=CCOCc1cnccc1Cl 34a_100000117392_200009817547 [0,1,0,0,0,0|3,0,0]=4 5202 B12R1.267 O=CCOCc1ncccc1Cl 34a_100012002383_200009817547 [0,1,0,0,0,0|3,0,0]=4 5203 B12R1.267 O=CCSCc1ccccc1Br 62a_100000184730_200015260668 [0,1,0,0,0,0|2,1,0]=4 5204 B12R1.267 O=CCSCc1ccccc1Br 62a_200015260668_100000184730 [0,1,0,0,0,0|2,1,0]=4 5205 B12R1.267 O=CCSCc1ccccc1Cl 62a_100000187162_200015260668 [0,1,0,0,0,0|2,0,0]=3 5206 B12R1.267 O=CCSCc1ccccc1Cl 62a_200015260668_100000187162 [0,1,0,0,0,0|2,0,0]=3 5207 B12R1.267 O=CCSCc1ccccc1F 62a_100000211605_200015260668 [0,1,0,0,0,0|2,1,0]=4 5208 B12R1.267 O=CCSCc1ccccc1F 62a_200015260668_100000211605 [0,1,0,0,0,0|2,1,0]=4 5209 B12R1.267 O=CCSCc1ccccc1I 62a_100011216222_200015260668 [0,1,0,0,0,0|2,1,0]=4 5210 B12R1.267 O=CCSCc1ccccc1I 62a_200015260668_100011216222 [0,1,0,0,0,0|2,1,0]=4 5211 B12R1.267 O=CCSCc1cccnc1Cl 62a_100000045678_200015260668 [0,1,0,0,0,0|3,0,0]=4 5212 B12R1.267 O=CCSCc1cccnc1Cl 62a_200015260668_100000045678 [0,1,0,0,0,0|3,0,0]=4 5213 B12R1.267 O=CCSCc1ccncc1Cl 62a_100000763264_200015260668 [0,1,0,0,0,0|3,0,0]=4 5214 B12R1.267 O=CCSCc1ccncc1Cl 62a_200015260668_100000763264 [0,1,0,0,0,0|3,0,0]=4 5215 B12R1.267 O=CCSCc1ncccc1Cl 62a_100000099807_200015260668 [0,1,0,0,0,0|3,0,0]=4 5216 B12R1.267 O=CCSCc1ncccc1Cl 62a_200015260668_100000099807 [0,1,0,0,0,0|3,0,0]=4 5217 B12R1.267 OCCCCc1ccccc1O 271570a_203496583355_100012092669 [0,1,0,0,0,0|2,0,0]=3 5218 B12R1.267 OCCCNc1ccccc1Br 34a_100000210017_100000230001 [0,1,0,0,0,0|2,1,0]=4 5219 B12R1.267 OCCCNc1ccccc1Cl 34a_100000185783_100000230001 [0,1,0,0,0,0|2,0,0]=3 5220 B12R1.267 OCCCNc1ccccc1F 34a_100000210422_100000230001 [0,1,0,0,0,0|2,1,0]=4 5221 B12R1.267 OCCCNc1ccccc1I 34a_100000210053_100000230001 [0,1,0,0,0,0|2,1,0]=4 5222 B12R1.267 OCCCNc1ccccc1O 34a_100000185747_100000230001 [0,1,0,0,0,0|3,0,0]=4 5223 B12R1.267 OCCCOc1ccccc1Br 34a_100000181306_100000230001 [0,1,0,0,0,0|2,1,0]=4 5224 B12R1.267 OCCCOc1ccccc1Br 7a_100000181306_100011215043 [0,1,0,0,0,0|2,1,0]=4 5225 B12R1.267 OCCCOc1ccccc1Cl 34a_100000210172_100000230001 [0,1,0,0,0,0|2,0,0]=3 5226 B12R1.267 OCCCOc1ccccc1Cl 7a_100000210172_100011215043 [0,1,0,0,0,0|2,0,0]=3 5227 B12R1.267 OCCCOc1ccccc1F 34a_100000210171_100000230001 [0,1,0,0,0,0|2,1,0]=4 5228 B12R1.267 OCCCOc1ccccc1F 7a_100000210171_100011215043 [0,1,0,0,0,0|2,1,0]=4 5229 B12R1.267 OCCCOc1ccccc1I 34a_100000739446_100000230001 [0,1,0,0,0,0|2,1,0]=4 5230 B12R1.267 OCCCOc1ccccc1I 7a_100000739446_100011215043 [0,1,0,0,0,0|2,1,0]=4 5231 B12R1.267 OCCCOc1cccnc1Cl 34a_100000757616_100000230001 [0,1,0,0,0,0|3,0,0]=4 5232 B12R1.267 OCCCOc1cccnc1Cl 7a_100000757616_100011215043 [0,1,0,0,0,0|3,0,0]=4 5233 B12R1.267 OCCCOc1ccncc1Cl 34a_100011997054_100000230001 [0,1,0,0,0,0|3,0,0]=4 5234 B12R1.267 OCCCOc1cnccc1Cl 34a_100011996695_100000230001 [0,1,0,0,0,0|3,0,0]=4 5235 B12R1.267 OCCCOc1ncccc1Cl 34a_100011290957_100000230001 [0,1,0,0,0,0|3,0,0]=4 5236 B12R1.267 OCCCSc1ccccc1Br 62a_100000695589_100011215043 [0,1,0,0,0,0|2,1,0]=4 5237 B12R1.267 OCCCSc1ccccc1Br 62a_100011215043_100000695589 [0,1,0,0,0,0|2,1,0]=4 5238 B12R1.267 OCCCSc1ccccc1Cl 62a_100000764095_100011215043 [0,1,0,0,0,0|2,0,0]=3 5239 B12R1.267 OCCCSc1ccccc1Cl 62a_100011215043_100000764095 [0,1,0,0,0,0|2,0,0]=3 5240 B12R1.267 OCCCSc1ccccc1F 62a_100011215043_100011215700 [0,1,0,0,0,0|2,1,0]=4 5241 B12R1.267 OCCCSc1ccccc1F 62a_100011215700_100011215043 [0,1,0,0,0,0|2,1,0]=4 5242 B12R1.267 OCCCSc1ccccc1O 62a_100000739446_100011215043 [0,1,0,0,0,0|3,0,0]=4 5243 B12R1.267 OCCCSc1ccccc1O 62a_100011215043_100000739446 [0,1,0,0,0,0|3,0,0]=4 5244 B12R1.267 OCCCSc1cccnc1Cl 62a_100000036424_100011215043 [0,1,0,0,0,0|3,0,0]=4 5245 B12R1.267 OCCCSc1cccnc1Cl 62a_100011215043_100000036424 [0,1,0,0,0,0|3,0,0]=4 5246 B12R1.267 OCCCSc1ccncc1Cl 62a_100000708259_100011215043 [0,1,0,0,0,0|3,0,0]=4 5247 B12R1.267 OCCCSc1ccncc1Cl 62a_100011215043_100000708259 [0,1,0,0,0,0|3,0,0]=4 5248 B12R1.267 OCCCSc1cnccc1Cl 62a_100009995489_100011215043 [0,1,0,0,0,0|3,0,0]=4 5249 B12R1.267 OCCCSc1cnccc1Cl 62a_100011215043_100009995489 [0,1,0,0,0,0|3,0,0]=4 5250 B12R1.267 OCCCSc1ncccc1Cl 62a_100011215043_100011356963 [0,1,0,0,0,0|3,0,0]=4 5251 B12R1.267 OCCCSc1ncccc1Cl 62a_100011356963_100011215043 [0,1,0,0,0,0|3,0,0]=4 5252 B12R1.267 OCCNCc1ccccc1Br 207a_100000210304_100000211189 [0,1,0,0,0,0|2,1,0]=4 5253 B12R1.267 OCCNCc1ccccc1Br 2230a_100000689332_100000211926 [0,1,0,0,0,0|2,1,0]=4 5254 B12R1.267 OCCNCc1ccccc1Br 2230a_100016997473_100000184730 [0,1,0,0,0,0|2,1,0]=4 5255 B12R1.267 OCCNCc1ccccc1Br 270004a_100000210304_100000211189 [0,1,0,0,0,0|2,1,0]=4 5256 B12R1.267 OCCNCc1ccccc1Br 34a_100000689332_100000211926 [0,1,0,0,0,0|2,1,0]=4 5257 B12R1.267 OCCNCc1ccccc1Br 34a_100016990907_100000184730 [0,1,0,0,0,0|2,1,0]=4 5258 B12R1.267 OCCNCc1ccccc1Cl 207a_100000210304_100000210073 [0,1,0,0,0,0|2,0,0]=3 5259 B12R1.267 OCCNCc1ccccc1Cl 2230a_100000174879_100000211926 [0,1,0,0,0,0|2,0,0]=3 5260 B12R1.267 OCCNCc1ccccc1Cl 2230a_100016997473_100000187162 [0,1,0,0,0,0|2,0,0]=3 5261 B12R1.267 OCCNCc1ccccc1Cl 270004a_100000210304_100000210073 [0,1,0,0,0,0|2,0,0]=3 5262 B12R1.267 OCCNCc1ccccc1Cl 34a_100000174879_100000211926 [0,1,0,0,0,0|2,0,0]=3 5263 B12R1.267 OCCNCc1ccccc1Cl 34a_100016990907_100000187162 [0,1,0,0,0,0|2,0,0]=3 5264 B12R1.267 OCCNCc1ccccc1F 207a_100000210304_100000210811 [0,1,0,0,0,0|2,1,0]=4 5265 B12R1.267 OCCNCc1ccccc1F 2230a_100016997473_100000211605 [0,1,0,0,0,0|2,1,0]=4 5266 B12R1.267 OCCNCc1ccccc1F 270004a_100000210304_100000210811 [0,1,0,0,0,0|2,1,0]=4 5267 B12R1.267 OCCNCc1ccccc1F 34a_100000174869_100000211926 [0,1,0,0,0,0|2,1,0]=4 5268 B12R1.267 OCCNCc1ccccc1F 34a_100016990907_100000211605 [0,1,0,0,0,0|2,1,0]=4 5269 B12R1.267 OCCNCc1ccccc1I 207a_100000210304_100000010305 [0,1,0,0,0,0|2,1,0]=4 5270 B12R1.267 OCCNCc1ccccc1I 2230a_100016997473_100011215278 [0,1,0,0,0,0|2,1,0]=4 5271 B12R1.267 OCCNCc1ccccc1I 270004a_100000210304_100000010305 [0,1,0,0,0,0|2,1,0]=4 5272 B12R1.267 OCCNCc1ccccc1I 34a_100016990907_100011215278 [0,1,0,0,0,0|2,1,0]=4 5273 B12R1.267 OCCNCc1ccccc1O 271570a_203496583355_106744479749 [0,1,0,0,0,0|3,0,0]=4 5274 B12R1.267 OCCNCc1ccccc1O 34a_100000185550_100000211926 [0,1,0,0,0,0|3,0,0]=4 5275 B12R1.267 OCCNCc1cccnc1Cl 2230a_100015189234_100000211926 [0,1,0,0,0,0|3,0,0]=4 5276 B12R1.267 OCCNCc1cccnc1Cl 2230a_100016997473_100000045678 [0,1,0,0,0,0|3,0,0]=4 5277 B12R1.267 OCCNCc1cccnc1Cl 34a_100015189234_100000211926 [0,1,0,0,0,0|3,0,0]=4 5278 B12R1.267 OCCNCc1cccnc1Cl 34a_100016990907_100000045678 [0,1,0,0,0,0|3,0,0]=4 5279 B12R1.267 OCCNCc1ccncc1Cl 207a_100000210304_100011934409 [0,1,0,0,0,0|3,0,0]=4 5280 B12R1.267 OCCNCc1ccncc1Cl 2230a_100016997473_100000763264 [0,1,0,0,0,0|3,0,0]=4 5281 B12R1.267 OCCNCc1ccncc1Cl 270004a_100000210304_100011934409 [0,1,0,0,0,0|3,0,0]=4 5282 B12R1.267 OCCNCc1cnccc1Cl 270004a_100000210304_100000050567 [0,1,0,0,0,0|3,0,0]=4 5283 B12R1.267 OCCNCc1ncccc1Cl 207a_100000210304_100012001307 [0,1,0,0,0,0|3,0,0]=4 5284 B12R1.267 OCCNCc1ncccc1Cl 2230a_100015189233_100000211926 [0,1,0,0,0,0|3,0,0]=4 5285 B12R1.267 OCCNCc1ncccc1Cl 2230a_100016997473_100000099807 [0,1,0,0,0,0|3,0,0]=4 5286 B12R1.267 OCCNCc1ncccc1Cl 270004a_100000210304_100012001307 [0,1,0,0,0,0|3,0,0]=4 5287 B12R1.267 OCCOCc1ccccc1Br 34a_100000756307_100000211926 [0,1,0,0,0,0|2,1,0]=4 5288 B12R1.267 OCCOCc1ccccc1Br 7a_100000756307_100000211926 [0,1,0,0,0,0|2,1,0]=4 5289 B12R1.267 OCCOCc1ccccc1Cl 34a_100000210847_100000211926 [0,1,0,0,0,0|2,0,0]=3 5290 B12R1.267 OCCOCc1ccccc1Cl 7a_100000210847_100000211926 [0,1,0,0,0,0|2,0,0]=3 5291 B12R1.267 OCCOCc1ccccc1F 34a_100000211962_100000211926 [0,1,0,0,0,0|2,1,0]=4 5292 B12R1.267 OCCOCc1ccccc1F 7a_100000211962_100000211926 [0,1,0,0,0,0|2,1,0]=4 5293 B12R1.267 OCCOCc1ccccc1I 34a_100000187465_100000211926 [0,1,0,0,0,0|2,1,0]=4 5294 B12R1.267 OCCOCc1ccccc1I 7a_100000187465_100000211926 [0,1,0,0,0,0|2,1,0]=4 5295 B12R1.267 OCCOCc1cccnc1Cl 34a_100000748726_100000211926 [0,1,0,0,0,0|3,0,0]=4 5296 B12R1.267 OCCOCc1cccnc1Cl 7a_100000748726_100000211926 [0,1,0,0,0,0|3,0,0]=4 5297 B12R1.267 OCCOCc1cnccc1Cl 34a_100000117392_100000211926 [0,1,0,0,0,0|3,0,0]=4 5298 B12R1.267 OCCOCc1ncccc1Cl 34a_100012002383_100000211926 [0,1,0,0,0,0|3,0,0]=4 5299 B12R1.267 OCCSCc1ccccc1Br 62a_100000184730_100000211926 [0,1,0,0,0,0|2,1,0]=4 5300 B12R1.267 OCCSCc1ccccc1Br 62a_100000211926_100000184730 [0,1,0,0,0,0|2,1,0]=4 5301 B12R1.267 OCCSCc1ccccc1Cl 62a_100000187162_100000211926 [0,1,0,0,0,0|2,0,0]=3 5302 B12R1.267 OCCSCc1ccccc1Cl 62a_100000211926_100000187162 [0,1,0,0,0,0|2,0,0]=3 5303 B12R1.267 OCCSCc1ccccc1F 62a_100000211605_100000211926 [0,1,0,0,0,0|2,1,0]=4 5304 B12R1.267 OCCSCc1ccccc1F 62a_100000211926_100000211605 [0,1,0,0,0,0|2,1,0]=4 5305 B12R1.267 OCCSCc1ccccc1I 62a_100000211926_100011216222 [0,1,0,0,0,0|2,1,0]=4 5306 B12R1.267 OCCSCc1ccccc1I 62a_100011216222_100000211926 [0,1,0,0,0,0|2,1,0]=4 5307 B12R1.267 OCCSCc1cccnc1Cl 62a_100000045678_100000211926 [0,1,0,0,0,0|3,0,0]=4 5308 B12R1.267 OCCSCc1cccnc1Cl 62a_100000211926_100000045678 [0,1,0,0,0,0|3,0,0]=4 5309 B12R1.267 OCCSCc1ccncc1Cl 62a_100000211926_100000763264 [0,1,0,0,0,0|3,0,0]=4 5310 B12R1.267 OCCSCc1ccncc1Cl 62a_100000763264_100000211926 [0,1,0,0,0,0|3,0,0]=4 5311 B12R1.267 OCCSCc1ncccc1Cl 62a_100000099807_100000211926 [0,1,0,0,0,0|3,0,0]=4 5312 B12R1.267 OCCSCc1ncccc1Cl 62a_100000211926_100000099807 [0,1,0,0,0,0|3,0,0]=4 5313 B12R1.267 Oc1ccccc1CCNCF 34a_100011207237_100015361967 [0,1,0,0,0,0|1,0,0]=2 5314 B12R1.267 Oc1ccccc1CCSCF 62a_100000722297_100015361967 [0,1,0,0,0,0|2,0,0]=3 5315 B12R1.267 Oc1ccccc1CCSCF 62a_100015361967_100000722297 [0,1,0,0,0,0|2,0,0]=3 5316 B12R1.267 Oc1ccccc1CNCCF 34a_100000185550_100011217306 [0,1,0,0,0,0|3,0,0]=4 5317 B12R1.267 Oc1ccccc1NCCCF 34a_100000185747_100011934791 [0,1,0,0,0,0|3,0,0]=4 5318 B12R1.267 Oc1ccccc1SCCCF 62a_100000739446_100011934791 [0,1,0,0,0,0|3,0,0]=4 5319 B12R1.267 Oc1ccccc1SCCCF 62a_100011934791_100000739446 [0,1,0,0,0,0|3,0,0]=4 5320 B12R1.267 [13CH3]NCCCc1ccccc1F 2230a_100000724733_200025704644 [0,1,0,0,0,0|0,1,0]=2 5321 B12R1.267 [13CH3]NCCCc1ccccc1F 34a_100000724733_200025704644 [0,1,0,0,0,0|0,1,0]=2 5322 B12R1.267 [13CH3]NCCOc1ccccc1Br 2230a_100000744007_200025704644 [0,1,0,0,0,0|0,1,0]=2 5323 B12R1.267 [13CH3]NCCOc1ccccc1Br 34a_100000744007_200025704644 [0,1,0,0,0,0|0,1,0]=2 5324 B12R1.267 [13CH3]NCCOc1ccccc1Cl 2230a_100000174932_200025704644 [0,1,0,0,0,0|0,0,0]=1 5325 B12R1.267 [13CH3]NCCOc1ccccc1Cl 34a_100000174932_200025704644 [0,1,0,0,0,0|0,0,0]=1 5326 B12R1.267 [13CH3]NCCOc1ccccc1F 2230a_100000683764_200025704644 [0,1,0,0,0,0|0,1,0]=2 5327 B12R1.267 [13CH3]NCCOc1ccccc1F 34a_100000683764_200025704644 [0,1,0,0,0,0|0,1,0]=2 5328 B12R1.267 [13CH3]OCC#Cc1ccccc1Br 34a_100009814404_200025704644 [0,1,0,0,0,0|1,1,1]=4 5329 B12R1.267 [13CH3]OCC#Cc1ccccc1Br 7a_100009814404_200025704644 [0,1,0,0,0,0|1,1,1]=4 5330 B12R1.267 [13CH3]OCC#Cc1ccccc1Cl 34a_100011219350_200025704644 [0,1,0,0,0,0|1,0,1]=3 5331 B12R1.267 [13CH3]OCC#Cc1ccccc1Cl 7a_100011219350_200025704644 [0,1,0,0,0,0|1,0,1]=3 5332 B12R1.267 [13CH3]OCC#Cc1ccccc1F 34a_100011219114_200025704644 [0,1,0,0,0,0|1,1,1]=4 5333 B12R1.267 [13CH3]OCC#Cc1ccccc1F 7a_100011219114_200025704644 [0,1,0,0,0,0|1,1,1]=4 5334 B12R1.267 [13CH3]OCCCc1ccccc1Br 34a_100000699526_200025704644 [0,1,0,0,0,0|1,1,0]=3 5335 B12R1.267 [13CH3]OCCCc1ccccc1Br 7a_100000699526_200025704644 [0,1,0,0,0,0|1,1,0]=3 5336 B12R1.267 [13CH3]OCCCc1ccccc1Cl 34a_100011709251_200025704644 [0,1,0,0,0,0|1,0,0]=2 5337 B12R1.267 [13CH3]OCCCc1ccccc1Cl 7a_100011709251_200025704644 [0,1,0,0,0,0|1,0,0]=2 5338 B12R1.267 [13CH3]OCCCc1ccccc1F 34a_100011709249_200025704644 [0,1,0,0,0,0|1,1,0]=3 5339 B12R1.267 [13CH3]OCCCc1ccccc1F 7a_100011709249_200025704644 [0,1,0,0,0,0|1,1,0]=3 5340 B12R1.267 [13CH3]OCCNc1ccccc1N 34a_100000683943_200025704644 [0,1,0,0,0,0|2,0,0]=3 5341 B12R1.267 [13CH3]OCCOc1ccccc1Br 34a_100000230753_200025704644 [0,1,0,0,0,0|1,1,0]=3 5342 B12R1.267 [13CH3]OCCOc1ccccc1Br 7a_100000230753_200025704644 [0,1,0,0,0,0|1,1,0]=3 5343 B12R1.267 [13CH3]OCCOc1ccccc1Cl 34a_200000230518_200025704644 [0,1,0,0,0,0|1,0,0]=2 5344 B12R1.267 [13CH3]OCCOc1ccccc1Cl 7a_200000230518_200025704644 [0,1,0,0,0,0|1,0,0]=2 5345 B12R1.267 [13CH3]OCCOc1ccccc1F 34a_100000756447_200025704644 [0,1,0,0,0,0|1,1,0]=3 5346 B12R1.267 [13CH3]OCCOc1ccccc1F 7a_100000756447_200025704644 [0,1,0,0,0,0|1,1,0]=3 5347 B12R1.267 [13CH3]OCCOc1ccccc1N 34a_100132302172_200025704644 [0,1,0,0,0,0|2,0,0]=3 5348 B12R1.267 [13CH3]OCCSc1ccccc1Br 34a_200000230852_200025704644 [0,1,0,0,0,0|1,1,0]=3 5349 B12R1.267 [13CH3]OCCSc1ccccc1Br 7a_200000230852_200025704644 [0,1,0,0,0,0|1,1,0]=3 5350 B12R1.267 [13CH3]OCCSc1ccccc1Cl 34a_200000230572_200025704644 [0,1,0,0,0,0|1,0,0]=2 5351 B12R1.267 [13CH3]OCCSc1ccccc1Cl 7a_200000230572_200025704644 [0,1,0,0,0,0|1,0,0]=2 5352 B12R1.267 [13CH3]OCCSc1ccccc1F 34a_200000230732_200025704644 [0,1,0,0,0,0|1,1,0]=3 5353 B12R1.267 [13CH3]OCCSc1ccccc1F 7a_200000230732_200025704644 [0,1,0,0,0,0|1,1,0]=3 5354 B12R1.267 [13CH3]SCC#Cc1ccccc1Br 62a_100010706765_200025704644 [0,1,0,0,0,0|1,1,1]=4 5355 B12R1.267 [13CH3]SCC#Cc1ccccc1Br 62a_200025704644_100010706765 [0,1,0,0,0,0|1,1,1]=4 5356 B12R1.267 [13CH3]SCC#Cc1ccccc1F 62a_100010404167_200025704644 [0,1,0,0,0,0|1,1,1]=4 5357 B12R1.267 [13CH3]SCC#Cc1ccccc1F 62a_200025704644_100010404167 [0,1,0,0,0,0|1,1,1]=4 5358 B12R1.267 [13CH3]SCCCc1ccccc1Br 62a_200011713681_200025704644 [0,1,0,0,0,0|1,1,0]=3 5359 B12R1.267 [13CH3]SCCCc1ccccc1Br 62a_200025704644_200011713681 [0,1,0,0,0,0|1,1,0]=3 5360 B12R1.267 [13CH3]SCCOc1ccccc1Br 62a_100000695877_200025704644 [0,1,0,0,0,0|1,1,0]=3 5361 B12R1.267 [13CH3]SCCOc1ccccc1Br 62a_200025704644_100000695877 [0,1,0,0,0,0|1,1,0]=3 5362 B12R1.267 [13CH3]SCCOc1ccccc1F 62a_100000183290_200025704644 [0,1,0,0,0,0|1,1,0]=3 5363 B12R1.267 [13CH3]SCCOc1ccccc1F 62a_200025704644_100000183290 [0,1,0,0,0,0|1,1,0]=3 5364 B12R1.308 C#CCC(=O)c1ccccc1Cl 1458a_100000185844_100000184674 [0,1,0,0,0,0|1,0,2]=4 5365 B12R1.308 C#CCN(C)c1ccccc1Cl 2230a_100000219374_100000038162 [0,1,0,0,0,0|2,0,1]=4 5366 B12R1.308 C#CCN(C)c1ccccc1Cl 34a_100000219374_100000184674 [0,1,0,0,0,0|2,0,1]=4 5367 B12R1.308 C=CCC(=O)c1ccccc1Cl 1458a_100000185844_100000210623 [0,1,0,0,0,0|1,0,2]=4 5368 B12R1.308 C=CCN(C)c1ccccc1Cl 2230a_100000219374_100000210623 [0,1,0,0,0,0|2,0,1]=4 5369 B12R1.308 C=CCN(C)c1ccccc1Cl 269982a_100000219374_100000210623 [0,1,0,0,0,0|2,0,1]=4 5370 B12R1.308 C=CCN(C)c1ccccc1Cl 34a_100000219374_100015514636 [0,1,0,0,0,0|2,0,1]=4 5371 B12R1.308 CC(NCF)c1ccccc1Cl 34a_100000174978_100015361967 [0,1,0,0,0,0|3,0,0]=4 5372 B12R1.308 CC(OCF)c1ccccc1Cl 34a_100000740796_100015361967 [0,1,0,0,0,0|3,0,0]=4 5373 B12R1.308 CC(OCF)c1ccccc1Cl 7a_100000740796_100015361967 [0,1,0,0,0,0|3,0,0]=4 5374 B12R1.308 CC(SCF)c1ccccc1Cl 62a_100000181259_100015361967 [0,1,0,0,0,0|3,0,0]=4 5375 B12R1.308 CC(SCF)c1ccccc1Cl 62a_100015361967_100000181259 [0,1,0,0,0,0|3,0,0]=4 5376 B12R1.308 CCCC(=O)c1ccccc1Br 1458a_100000188424_100000210303 [0,1,0,0,0,0|1,1,1]=4 5377 B12R1.308 CCCC(=O)c1ccccc1C 1458a_100000212026_100000210303 [0,1,0,0,0,0|2,0,1]=4 5378 B12R1.308 CCCC(=O)c1ccccc1Cl 1458a_100000185844_100000210303 [0,1,0,0,0,0|1,0,1]=3 5379 B12R1.308 CCCC(=O)c1ccccc1F 1458a_100000188656_100000210303 [0,1,0,0,0,0|1,1,1]=4 5380 B12R1.308 CCCC(=O)c1ccccc1I 1458a_100000187884_100000210303 [0,1,0,0,0,0|1,1,1]=4 5381 B12R1.308 CCCC(=O)c1ccccc1O 1458a_100015234032_100000210303 [0,1,0,0,0,0|2,0,1]=4 5382 B12R1.308 CCCC(=O)c1ccccc1[O-] 1458a_100009911694_100000210303 [0,1,0,0,0,0|2,0,1]=4 5383 B12R1.308 CCCN(C)c1ccccc1Br 2230a_100020606079_100000210303 [0,1,0,0,0,0|2,1,0]=4 5384 B12R1.308 CCCN(C)c1ccccc1Br 269982a_100020606079_100000210303 [0,1,0,0,0,0|2,1,0]=4 5385 B12R1.308 CCCN(C)c1ccccc1Br 34a_100020606079_100000210303 [0,1,0,0,0,0|2,1,0]=4 5386 B12R1.308 CCCN(C)c1ccccc1C 2230a_100000219699_100000210303 [0,1,0,0,0,0|3,0,0]=4 5387 B12R1.308 CCCN(C)c1ccccc1C 269982a_100000219699_100000210303 [0,1,0,0,0,0|3,0,0]=4 5388 B12R1.308 CCCN(C)c1ccccc1C 34a_100000219699_100000210303 [0,1,0,0,0,0|3,0,0]=4 5389 B12R1.308 CCCN(C)c1ccccc1Cl 2230a_100000219374_100000210303 [0,1,0,0,0,0|2,0,0]=3 5390 B12R1.308 CCCN(C)c1ccccc1Cl 269982a_100000219374_100000210303 [0,1,0,0,0,0|2,0,0]=3 5391 B12R1.308 CCCN(C)c1ccccc1Cl 34a_100000219374_100000210303 [0,1,0,0,0,0|2,0,0]=3 5392 B12R1.308 CCCN(C)c1ccccc1F 2230a_100000220357_100000210303 [0,1,0,0,0,0|2,1,0]=4 5393 B12R1.308 CCCN(C)c1ccccc1F 2230a_100011231789_200000210301 [0,1,0,0,0,0|2,1,0]=4 5394 B12R1.308 CCCN(C)c1ccccc1F 269982a_100000220357_100000210303 [0,1,0,0,0,0|2,1,0]=4 5395 B12R1.308 CCCN(C)c1ccccc1F 269982a_100011231789_200000210301 [0,1,0,0,0,0|2,1,0]=4 5396 B12R1.308 CCCN(C)c1ccccc1F 34a_100000220357_100000210303 [0,1,0,0,0,0|2,1,0]=4 5397 B12R1.308 CCCN(C)c1ccccc1F 34a_100011231789_200000210301 [0,1,0,0,0,0|2,1,0]=4 5398 B12R1.308 CCCN(C)c1ccccc1F 38a_100000220357_100000210303 [0,1,0,0,0,0|2,1,0]=4 5399 B12R1.308 CCCN(C)c1ccccc1O 269982a_100000033821_100000210303 [0,1,0,0,0,0|3,0,0]=4 5400 B12R1.308 CCCN([13CH3])c1ccccc1F 2230a_100011231789_200025704644 [0,1,0,0,0,0|2,1,0]=4 5401 B12R1.308 CCCN([13CH3])c1ccccc1F 269982a_100011231789_200025704644 [0,1,0,0,0,0|2,1,0]=4 5402 B12R1.308 CCCN([13CH3])c1ccccc1F 34a_100011231789_200025704644 [0,1,0,0,0,0|2,1,0]=4 5403 B12R1.308 CCNC(=O)c1ccccc1Cl 11a_100015525214_100000185844 [0,1,0,0,0,0|2,0,1]=4 5404 B12R1.308 CCNC(=O)c1ccccc1Cl 240690a_100015525214_100000185844 [0,1,0,0,0,0|2,0,1]=4 5405 B12R1.308 CCNC(=O)c1ccccc1Cl 527a_100015525214_100000185844 [0,1,0,0,0,0|2,0,1]=4 5406 B12R1.308 CCNC(C)c1ccccc1Br 2230a_100000181357_100000210202 [0,1,0,0,0,0|2,1,0]=4 5407 B12R1.308 CCNC(C)c1ccccc1Br 269862a_100015525214_100000187085 [0,1,0,0,0,0|2,1,0]=4 5408 B12R1.308 CCNC(C)c1ccccc1C 2230a_100000181355_100000210202 [0,1,0,0,0,0|3,0,0]=4 5409 B12R1.308 CCNC(C)c1ccccc1C 269862a_100015525214_100000211656 [0,1,0,0,0,0|3,0,0]=4 5410 B12R1.308 CCNC(C)c1ccccc1C 34a_100000181355_100000210202 [0,1,0,0,0,0|3,0,0]=4 5411 B12R1.308 CCNC(C)c1ccccc1Cl 2230a_100000174978_100000210202 [0,1,0,0,0,0|2,0,0]=3 5412 B12R1.308 CCNC(C)c1ccccc1Cl 2230a_100015525214_100000181259 [0,1,0,0,0,0|2,0,0]=3 5413 B12R1.308 CCNC(C)c1ccccc1Cl 269862a_100015525214_100000210134 [0,1,0,0,0,0|2,0,0]=3 5414 B12R1.308 CCNC(C)c1ccccc1Cl 34a_100000174978_100000210202 [0,1,0,0,0,0|2,0,0]=3 5415 B12R1.308 CCNC(C)c1ccccc1F 2230a_100000181408_100000210202 [0,1,0,0,0,0|2,1,0]=4 5416 B12R1.308 CCNC(C)c1ccccc1F 2230a_100015525214_200000741388 [0,1,0,0,0,0|2,1,0]=4 5417 B12R1.308 CCNC(C)c1ccccc1F 269862a_100015525214_100000210632 [0,1,0,0,0,0|2,1,0]=4 5418 B12R1.308 CCNC(C)c1ccccc1F 34a_100000181408_100000210202 [0,1,0,0,0,0|2,1,0]=4 5419 B12R1.308 CCNC(C)c1ccccc1I 269862a_100015525214_100000751169 [0,1,0,0,0,0|2,1,0]=4 5420 B12R1.308 CCNC(C)c1ccncc1Cl 269862a_100015525214_100012001414 [0,1,0,0,0,0|3,0,0]=4 5421 B12R1.308 CCNC(C)c1cnccc1Cl 269862a_100015525214_100160469449 [0,1,0,0,0,0|3,0,0]=4 5422 B12R1.308 CCNC(C)c1ncccc1Cl 269862a_100015525214_100015267551 [0,1,0,0,0,0|3,0,0]=4 5423 B12R1.308 CCN[C@H](C)c1ccccc1O 2230a_100025703389_100000210202 [0,1,0,0,0,0|3,0,0]=4 5424 B12R1.308 CCOC(C)c1ccccc1Br 34a_100000702211_100000210202 [0,1,0,0,0,0|2,1,0]=4 5425 B12R1.308 CCOC(C)c1ccccc1Br 7a_100000702211_100000210202 [0,1,0,0,0,0|2,1,0]=4 5426 B12R1.308 CCOC(C)c1ccccc1C 34a_100000742021_100000210202 [0,1,0,0,0,0|3,0,0]=4 5427 B12R1.308 CCOC(C)c1ccccc1C 7a_100000742021_100000210202 [0,1,0,0,0,0|3,0,0]=4 5428 B12R1.308 CCOC(C)c1ccccc1Cl 34a_100000740796_100000210202 [0,1,0,0,0,0|2,0,0]=3 5429 B12R1.308 CCOC(C)c1ccccc1Cl 7a_100000740796_100000210202 [0,1,0,0,0,0|2,0,0]=3 5430 B12R1.308 CCOC(C)c1ccccc1F 34a_100000697922_100000210202 [0,1,0,0,0,0|2,1,0]=4 5431 B12R1.308 CCOC(C)c1ccccc1F 34a_100121572206_200000741388 [0,1,0,0,0,0|2,1,0]=4 5432 B12R1.308 CCOC(C)c1ccccc1F 7a_100000697922_100000210202 [0,1,0,0,0,0|2,1,0]=4 5433 B12R1.308 CCOC(C)c1ccccc1N 7a_100011405641_100000210202 [0,1,0,0,0,0|3,0,0]=4 5434 B12R1.308 CCOC(C)c1cccnc1Cl 34a_100009865335_100000210202 [0,1,0,0,0,0|3,0,0]=4 5435 B12R1.308 CCOC(C)c1cccnc1Cl 7a_100009865335_100000210202 [0,1,0,0,0,0|3,0,0]=4 5436 B12R1.308 CCSC(C)c1ccccc1Cl 62a_100000181259_100000210202 [0,1,0,0,0,0|2,0,0]=3 5437 B12R1.308 CCSC(C)c1ccccc1Cl 62a_100000210202_100000181259 [0,1,0,0,0,0|2,0,0]=3 5438 B12R1.308 CCSC(C)c1ccccc1F 62a_100000210202_200000741388 [0,1,0,0,0,0|2,1,0]=4 5439 B12R1.308 CCSC(C)c1ccccc1F 62a_200000741388_100000210202 [0,1,0,0,0,0|2,1,0]=4 5440 B12R1.308 CN(CC#N)c1ccccc1Cl 2230a_100000219374_100011215382 [0,1,0,0,0,0|3,0,0]=4 5441 B12R1.308 CN(CC#N)c1ccccc1Cl 269982a_100000219374_100011214920 [0,1,0,0,0,0|3,0,0]=4 5442 B12R1.308 CN(CC=O)c1ccccc1Cl 2230a_100000219374_200015260668 [0,1,0,0,0,0|3,0,0]=4 5443 B12R1.308 CN(CC=O)c1ccccc1Cl 269982a_100000219374_200015260668 [0,1,0,0,0,0|3,0,0]=4 5444 B12R1.308 CN(CC=O)c1ccccc1Cl 34a_100000219374_200009817547 [0,1,0,0,0,0|3,0,0]=4 5445 B12R1.308 CN(CCF)c1ccccc1Cl 2230a_100000219374_100011217306 [0,1,0,0,0,0|3,0,0]=4 5446 B12R1.308 CN(CCF)c1ccccc1Cl 269982a_100000219374_100011217306 [0,1,0,0,0,0|3,0,0]=4 5447 B12R1.308 CN(CCF)c1ccccc1Cl 34a_100000219374_100011217306 [0,1,0,0,0,0|3,0,0]=4 5448 B12R1.308 CN(CCO)c1ccccc1Cl 2230a_100000219374_100000211926 [0,1,0,0,0,0|3,0,0]=4 5449 B12R1.308 CN(CCO)c1ccccc1Cl 269982a_100000219374_100000211926 [0,1,0,0,0,0|3,0,0]=4 5450 B12R1.308 CN(CCO)c1ccccc1Cl 34a_100000219374_100000211926 [0,1,0,0,0,0|3,0,0]=4 5451 B12R1.308 CNCC(=O)c1ccccc1Br 34a_100102657272_100000199116 [0,1,0,0,0,0|0,1,1]=3 5452 B12R1.308 CNCC(=O)c1ccccc1C 2230a_106832991635_100000741374 [0,1,0,0,0,0|1,0,1]=3 5453 B12R1.308 CNCC(=O)c1ccccc1C 34a_100102657272_100000741374 [0,1,0,0,0,0|1,0,1]=3 5454 B12R1.308 CNCC(=O)c1ccccc1C 7a_106832991635_100000741374 [0,1,0,0,0,0|1,0,1]=3 5455 B12R1.308 CNCC(=O)c1ccccc1Cl 34a_100102657272_100000211432 [0,1,0,0,0,0|0,0,1]=2 5456 B12R1.308 CNCC(=O)c1ccccc1F 34a_100102657272_100000204681 [0,1,0,0,0,0|0,1,1]=3 5457 B12R1.308 CNCC(=O)c1ccccc1F 7a_106832991635_100000204681 [0,1,0,0,0,0|0,1,1]=3 5458 B12R1.308 CNCC(=O)c1ccccc1O 7a_106832991635_100000188908 [0,1,0,0,0,0|1,0,1]=3 5459 B12R1.308 CNCC(O)c1ccccc1Br 2230a_100011236429_200000210301 [0,1,0,0,0,0|0,1,0]=2 5460 B12R1.308 CNCC(O)c1ccccc1Cl 2230a_200000759403_200000210301 [0,1,0,0,0,0|0,0,0]=1 5461 B12R1.308 CNCC(O)c1ccccc1Cl 34a_200000759403_200000210301 [0,1,0,0,0,0|0,0,0]=1 5462 B12R1.308 CNNC(=O)c1ccccc1Br 22a_100016993582_100000188424 [0,1,0,0,0,0|1,1,1]=4 5463 B12R1.308 CNNC(=O)c1ccccc1C 22a_100016993582_100000212026 [0,1,0,0,0,0|2,0,1]=4 5464 B12R1.308 CNNC(=O)c1ccccc1Cl 22a_100016993582_100000185844 [0,1,0,0,0,0|1,0,1]=3 5465 B12R1.308 CNNC(=O)c1ccccc1F 22a_100016993582_100000188656 [0,1,0,0,0,0|1,1,1]=4 5466 B12R1.308 CNNC(=O)c1ccccc1I 22a_100016993582_100000187884 [0,1,0,0,0,0|1,1,1]=4 5467 B12R1.308 CNNC(=O)c1ccccc1O 22a_100016993582_100015234032 [0,1,0,0,0,0|2,0,1]=4 5468 B12R1.308 CNNC(=O)c1ccccc1[O-] 22a_100016993582_100009911694 [0,1,0,0,0,0|2,0,1]=4 5469 B12R1.308 COCC(=O)c1ccccc1Br 34a_100138415774_100000199116 [0,1,0,0,0,0|1,1,1]=4 5470 B12R1.308 COCC(=O)c1ccccc1C 34a_100138415774_100000741374 [0,1,0,0,0,0|2,0,1]=4 5471 B12R1.308 COCC(=O)c1ccccc1Cl 34a_100138415774_100000211432 [0,1,0,0,0,0|1,0,1]=3 5472 B12R1.308 COCC(=O)c1ccccc1F 34a_100138415774_100000204681 [0,1,0,0,0,0|1,1,1]=4 5473 B12R1.308 COCC(N)c1ccccc1Cl 34a_100138412506_200000210301 [0,1,0,0,0,0|1,0,0]=2 5474 B12R1.308 COCC(N)c1ccncc1Cl 34a_200020642286_200000210301 [0,1,0,0,0,0|2,0,0]=3 5475 B12R1.308 COCN(C)c1ccccc1Br 2230a_100020606079_100000766300 [0,1,0,0,0,0|2,1,0]=4 5476 B12R1.308 COCN(C)c1ccccc1Br 269982a_100020606079_100000766300 [0,1,0,0,0,0|2,1,0]=4 5477 B12R1.308 COCN(C)c1ccccc1C 2230a_100000219699_100000766300 [0,1,0,0,0,0|3,0,0]=4 5478 B12R1.308 COCN(C)c1ccccc1C 269982a_100000219699_100000766300 [0,1,0,0,0,0|3,0,0]=4 5479 B12R1.308 COCN(C)c1ccccc1Cl 2230a_100000219374_100000766300 [0,1,0,0,0,0|2,0,0]=3 5480 B12R1.308 COCN(C)c1ccccc1Cl 269982a_100000219374_100000766300 [0,1,0,0,0,0|2,0,0]=3 5481 B12R1.308 COCN(C)c1ccccc1F 2230a_100000220357_100000766300 [0,1,0,0,0,0|2,1,0]=4 5482 B12R1.308 COCN(C)c1ccccc1F 269982a_100000220357_100000766300 [0,1,0,0,0,0|2,1,0]=4 5483 B12R1.308 COCN(C)c1ccccc1O 269982a_100000033821_100000766300 [0,1,0,0,0,0|3,0,0]=4 5484 B12R1.308 COC[C@@H](N)c1ccccc1Br 34a_100161155918_200000210301 [0,1,0,0,0,0|1,1,0]=3 5485 B12R1.308 COC[C@H](N)c1ccccc1F 34a_100009818778_200000210301 [0,1,0,0,0,0|1,1,0]=3 5486 B12R1.308 CSCC(=O)c1ccccc1Br 62a_100000199116_200000210301 [0,1,0,0,0,0|1,1,1]=4 5487 B12R1.308 CSCC(=O)c1ccccc1C 62a_100000741374_200000210301 [0,1,0,0,0,0|2,0,1]=4 5488 B12R1.308 CSCC(=O)c1ccccc1C 62a_200000210301_100000741374 [0,1,0,0,0,0|2,0,1]=4 5489 B12R1.308 CSCC(=O)c1ccccc1Cl 62a_100000211432_200000210301 [0,1,0,0,0,0|1,0,1]=3 5490 B12R1.308 CSCC(=O)c1ccccc1Cl 62a_200000210301_100000211432 [0,1,0,0,0,0|1,0,1]=3 5491 B12R1.308 CSCC(=O)c1ccccc1F 62a_100000204681_200000210301 [0,1,0,0,0,0|1,1,1]=4 5492 B12R1.308 CSCC(=O)c1ccccc1F 62a_200000210301_100000204681 [0,1,0,0,0,0|1,1,1]=4 5493 B12R1.308 CSCC(=O)c1ccccc1O 62a_100000188908_200000210301 [0,1,0,0,0,0|2,0,1]=4 5494 B12R1.308 CSCC(=O)c1ccccc1O 62a_200000210301_100000188908 [0,1,0,0,0,0|2,0,1]=4 5495 B12R1.308 CSCN(C)c1ccccc1Br 2230a_100020606079_100011218213 [0,1,0,0,0,0|2,1,0]=4 5496 B12R1.308 CSCN(C)c1ccccc1Br 269982a_100020606079_100011218213 [0,1,0,0,0,0|2,1,0]=4 5497 B12R1.308 CSCN(C)c1ccccc1Br 34a_100020606079_100011218213 [0,1,0,0,0,0|2,1,0]=4 5498 B12R1.308 CSCN(C)c1ccccc1C 2230a_100000219699_100011218213 [0,1,0,0,0,0|3,0,0]=4 5499 B12R1.308 CSCN(C)c1ccccc1C 269982a_100000219699_100011218213 [0,1,0,0,0,0|3,0,0]=4 5500 B12R1.308 CSCN(C)c1ccccc1C 34a_100000219699_100011218213 [0,1,0,0,0,0|3,0,0]=4 5501 B12R1.308 CSCN(C)c1ccccc1Cl 2230a_100000219374_100011218213 [0,1,0,0,0,0|2,0,0]=3 5502 B12R1.308 CSCN(C)c1ccccc1Cl 269982a_100000219374_100011218213 [0,1,0,0,0,0|2,0,0]=3 5503 B12R1.308 CSCN(C)c1ccccc1Cl 34a_100000219374_100011218213 [0,1,0,0,0,0|2,0,0]=3 5504 B12R1.308 CSCN(C)c1ccccc1F 2230a_100000220357_100011218213 [0,1,0,0,0,0|2,1,0]=4 5505 B12R1.308 CSCN(C)c1ccccc1F 269982a_100000220357_100011218213 [0,1,0,0,0,0|2,1,0]=4 5506 B12R1.308 CSCN(C)c1ccccc1F 34a_100000220357_100011218213 [0,1,0,0,0,0|2,1,0]=4 5507 B12R1.308 CSCN(C)c1ccccc1O 269982a_100000033821_100011218213 [0,1,0,0,0,0|3,0,0]=4 5508 B12R1.308 Cc1ccccc1C(=O)CS[13CH3] 62a_100000741374_200025704644 [0,1,0,0,0,0|2,0,1]=4 5509 B12R1.308 Cc1ccccc1C(=O)CS[13CH3] 62a_200025704644_100000741374 [0,1,0,0,0,0|2,0,1]=4 5510 B12R1.308 N#CCC(=O)c1ccccc1Cl 1458a_100000185844_100011214920 [0,1,0,0,0,0|2,0,1]=4 5511 B12R1.308 O=C(CCF)c1ccccc1Cl 1458a_100000185844_100011217306 [0,1,0,0,0,0|2,0,1]=4 5512 B12R1.308 O=C(CCO)c1ccccc1Cl 1458a_100000185844_100000211926 [0,1,0,0,0,0|2,0,1]=4 5513 B12R1.308 [13CH3]NCC(O)c1ccccc1Br 2230a_100011236429_200025704644 [0,1,0,0,0,0|0,1,0]=2 5514 B12R1.308 [13CH3]NCC(O)c1ccccc1Cl 2230a_200000759403_200025704644 [0,1,0,0,0,0|0,0,0]=1 5515 B12R1.308 [13CH3]NCC(O)c1ccccc1Cl 34a_200000759403_200025704644 [0,1,0,0,0,0|0,0,0]=1 5516 B12R1.308 [13CH3]OCC(N)c1ccccc1Cl 34a_100138412506_200025704644 [0,1,0,0,0,0|1,0,0]=2 5517 B12R1.308 [13CH3]OCC(N)c1ccncc1Cl 34a_200020642286_200025704644 [0,1,0,0,0,0|2,0,0]=3 5518 B12R1.308 [13CH3]OC[C@@H](N)c1ccccc1Br 34a_100161155918_200025704644 [0,1,0,0,0,0|1,1,0]=3 5519 B12R1.308 [13CH3]OC[C@H](N)c1ccccc1F 34a_100009818778_200025704644 [0,1,0,0,0,0|1,1,0]=3 5520 B12R1.308 [13CH3]SCC(=O)c1ccccc1Br 62a_100000199116_200025704644 [0,1,0,0,0,0|1,1,1]=4 5521 B12R1.308 [13CH3]SCC(=O)c1ccccc1Cl 62a_100000211432_200025704644 [0,1,0,0,0,0|1,0,1]=3 5522 B12R1.308 [13CH3]SCC(=O)c1ccccc1Cl 62a_200025704644_100000211432 [0,1,0,0,0,0|1,0,1]=3 5523 B12R1.308 [13CH3]SCC(=O)c1ccccc1F 62a_100000204681_200025704644 [0,1,0,0,0,0|1,1,1]=4 5524 B12R1.308 [13CH3]SCC(=O)c1ccccc1F 62a_200025704644_100000204681 [0,1,0,0,0,0|1,1,1]=4 5525 B12R1.308 [13CH3]SCC(=O)c1ccccc1O 62a_100000188908_200025704644 [0,1,0,0,0,0|2,0,1]=4 5526 B12R1.308 [13CH3]SCC(=O)c1ccccc1O 62a_200025704644_100000188908 [0,1,0,0,0,0|2,0,1]=4 5527 B12R1.371 C#CC(=O)Cc1ccccc1Cl 1458a_100000211873_100000187162 [0,1,0,0,0,0|1,0,2]=4 5528 B12R1.371 C#CC(C)Nc1ccccc1Cl 34a_100000185783_200000035995 [0,1,0,0,0,0|2,0,1]=4 5529 B12R1.371 C#CC(C)Oc1ccccc1Cl 34a_100000210172_200000035995 [0,1,0,0,0,0|2,0,1]=4 5530 B12R1.371 C#CC(C)Sc1ccccc1Cl 62a_200000035995_100000764095 [0,1,0,0,0,0|2,0,1]=4 5531 B12R1.371 C=CC(=O)Cc1ccccc1Cl 1458a_100000185746_100000187162 [0,1,0,0,0,0|1,0,2]=4 5532 B12R1.371 C=CC(C)Sc1ccccc1Cl 62a_100011215867_100000764095 [0,1,0,0,0,0|2,0,1]=4 5533 B12R1.371 CC(C#N)Oc1ccccc1Cl 7a_100000210172_100000703298 [0,1,0,0,0,0|3,0,0]=4 5534 B12R1.371 CC(C#N)Sc1ccccc1Cl 62a_100000703298_100000764095 [0,1,0,0,0,0|3,0,0]=4 5535 B12R1.371 CC(C#N)Sc1ccccc1Cl 62a_100000764095_100000703298 [0,1,0,0,0,0|3,0,0]=4 5536 B12R1.371 CC(CO)Nc1ccccc1Cl 34a_100000185783_100012180447 [0,1,0,0,0,0|3,0,0]=4 5537 B12R1.371 CC(CO)Oc1ccccc1Cl 34a_100000210172_100012180447 [0,1,0,0,0,0|3,0,0]=4 5538 B12R1.371 CC(CO)Oc1ccccc1Cl 7a_100000210172_100012180447 [0,1,0,0,0,0|3,0,0]=4 5539 B12R1.371 CC(CO)Sc1ccccc1Cl 62a_100012180447_100000764095 [0,1,0,0,0,0|3,0,0]=4 5540 B12R1.371 CCC(=O)Cc1ccccc1Br 1458a_100000210414_100000184730 [0,1,0,0,0,0|1,1,1]=4 5541 B12R1.371 CCC(=O)Cc1ccccc1Br 1458a_100000751119_100000210202 [0,1,0,0,0,0|1,1,1]=4 5542 B12R1.371 CCC(=O)Cc1ccccc1C 1458a_100000210414_100000211839 [0,1,0,0,0,0|2,0,1]=4 5543 B12R1.371 CCC(=O)Cc1ccccc1C 1458a_100000212180_100000210202 [0,1,0,0,0,0|2,0,1]=4 5544 B12R1.371 CCC(=O)Cc1ccccc1Cl 1458a_100000183793_100000210202 [0,1,0,0,0,0|1,0,1]=3 5545 B12R1.371 CCC(=O)Cc1ccccc1Cl 1458a_100000210414_100000187162 [0,1,0,0,0,0|1,0,1]=3 5546 B12R1.371 CCC(=O)Cc1ccccc1F 1458a_100000210414_100000187165 [0,1,0,0,0,0|1,1,1]=4 5547 B12R1.371 CCC(=O)Cc1ccccc1F 1458a_100000212012_100000210202 [0,1,0,0,0,0|1,1,1]=4 5548 B12R1.371 CCC(=O)Cc1ccccc1I 1458a_100000036491_100000210202 [0,1,0,0,0,0|1,1,1]=4 5549 B12R1.371 CCC(=O)Cc1ccccc1I 1458a_100000210414_100011216222 [0,1,0,0,0,0|1,1,1]=4 5550 B12R1.371 CCC(=O)Cc1ccccc1O 1458a_100000743006_100000210202 [0,1,0,0,0,0|2,0,1]=4 5551 B12R1.371 CCC(=O)Cc1cccnc1Cl 1458a_100000093521_100000210202 [0,1,0,0,0,0|2,0,1]=4 5552 B12R1.371 CCC(=O)Cc1cccnc1Cl 1458a_100000210414_100000045678 [0,1,0,0,0,0|2,0,1]=4 5553 B12R1.371 CCC(=O)Cc1ccncc1Cl 1458a_100000210414_100000763264 [0,1,0,0,0,0|2,0,1]=4 5554 B12R1.371 CCC(=O)Cc1ncccc1Cl 1458a_100000210414_100000099807 [0,1,0,0,0,0|2,0,1]=4 5555 B12R1.371 CCC(=O)Cc1ncccc1Cl 1458a_100011998755_100000210202 [0,1,0,0,0,0|2,0,1]=4 5556 B12R1.371 CCC(=O)Nc1ccccc1Cl 11a_100000185783_100000210414 [0,1,0,0,0,0|2,0,1]=4 5557 B12R1.371 CCC(=O)Nc1ccccc1Cl 1626a_100000185783_100000210414 [0,1,0,0,0,0|2,0,1]=4 5558 B12R1.371 CCC(=O)Nc1ccccc1Cl 22a_100000185783_100000210414 [0,1,0,0,0,0|2,0,1]=4 5559 B12R1.371 CCC(=O)Nc1ccccc1Cl 527a_100000185783_100000210414 [0,1,0,0,0,0|2,0,1]=4 5560 B12R1.371 CCC(C)Nc1ccccc1Br 34a_100000210017_100011215416 [0,1,0,0,0,0|2,1,0]=4 5561 B12R1.371 CCC(C)Nc1ccccc1C 34a_100015192222_100011215416 [0,1,0,0,0,0|3,0,0]=4 5562 B12R1.371 CCC(C)Nc1ccccc1Cl 34a_100000185783_100011215416 [0,1,0,0,0,0|2,0,0]=3 5563 B12R1.371 CCC(C)Nc1ccccc1F 34a_100000210422_100011215416 [0,1,0,0,0,0|2,1,0]=4 5564 B12R1.371 CCC(C)Nc1ccccc1I 34a_100000210053_100011215416 [0,1,0,0,0,0|2,1,0]=4 5565 B12R1.371 CCC(C)Nc1ccccc1O 34a_100000185747_100011215416 [0,1,0,0,0,0|3,0,0]=4 5566 B12R1.371 CCC(C)Oc1ccccc1Br 34a_100000181306_100011215416 [0,1,0,0,0,0|2,1,0]=4 5567 B12R1.371 CCC(C)Oc1ccccc1Br 7a_100000181306_100000758301 [0,1,0,0,0,0|2,1,0]=4 5568 B12R1.371 CCC(C)Oc1ccccc1C 34a_100000210338_100011215416 [0,1,0,0,0,0|3,0,0]=4 5569 B12R1.371 CCC(C)Oc1ccccc1C 7a_100000210338_100000758301 [0,1,0,0,0,0|3,0,0]=4 5570 B12R1.371 CCC(C)Oc1ccccc1Cl 34a_100000210172_100011215416 [0,1,0,0,0,0|2,0,0]=3 5571 B12R1.371 CCC(C)Oc1ccccc1Cl 7a_100000210172_100000758301 [0,1,0,0,0,0|2,0,0]=3 5572 B12R1.371 CCC(C)Oc1ccccc1F 34a_100000210171_100011215416 [0,1,0,0,0,0|2,1,0]=4 5573 B12R1.371 CCC(C)Oc1ccccc1F 7a_100000210171_100000758301 [0,1,0,0,0,0|2,1,0]=4 5574 B12R1.371 CCC(C)Oc1ccccc1I 34a_100000739446_100011215416 [0,1,0,0,0,0|2,1,0]=4 5575 B12R1.371 CCC(C)Oc1ccccc1I 7a_100000739446_100000758301 [0,1,0,0,0,0|2,1,0]=4 5576 B12R1.371 CCC(C)Oc1ccccc1N 34a_100000185747_100011215416 [0,1,0,0,0,0|3,0,0]=4 5577 B12R1.371 CCC(C)Oc1ccccc1N 7a_100000185747_100000758301 [0,1,0,0,0,0|3,0,0]=4 5578 B12R1.371 CCC(C)Oc1cccnc1Cl 34a_100000757616_100011215416 [0,1,0,0,0,0|3,0,0]=4 5579 B12R1.371 CCC(C)Oc1cccnc1Cl 7a_100000757616_100000758301 [0,1,0,0,0,0|3,0,0]=4 5580 B12R1.371 CCC(C)Oc1ccncc1Cl 34a_100011997054_100011215416 [0,1,0,0,0,0|3,0,0]=4 5581 B12R1.371 CCC(C)Oc1cnccc1Cl 34a_100011996695_100011215416 [0,1,0,0,0,0|3,0,0]=4 5582 B12R1.371 CCC(C)Oc1ncccc1Cl 34a_100011290957_100011215416 [0,1,0,0,0,0|3,0,0]=4 5583 B12R1.371 CCC(C)Sc1ccccc1Br 62a_100000695589_100000758301 [0,1,0,0,0,0|2,1,0]=4 5584 B12R1.371 CCC(C)Sc1ccccc1Br 62a_100000758301_100000695589 [0,1,0,0,0,0|2,1,0]=4 5585 B12R1.371 CCC(C)Sc1ccccc1C 62a_100000210755_100000758301 [0,1,0,0,0,0|3,0,0]=4 5586 B12R1.371 CCC(C)Sc1ccccc1C 62a_100000758301_100000210755 [0,1,0,0,0,0|3,0,0]=4 5587 B12R1.371 CCC(C)Sc1ccccc1Cl 62a_100000758301_100000764095 [0,1,0,0,0,0|2,0,0]=3 5588 B12R1.371 CCC(C)Sc1ccccc1Cl 62a_100000764095_100000758301 [0,1,0,0,0,0|2,0,0]=3 5589 B12R1.371 CCC(C)Sc1ccccc1F 62a_100000758301_100011215700 [0,1,0,0,0,0|2,1,0]=4 5590 B12R1.371 CCC(C)Sc1ccccc1F 62a_100011215700_100000758301 [0,1,0,0,0,0|2,1,0]=4 5591 B12R1.371 CCC(C)Sc1ccccc1N 62a_100000210017_100000758301 [0,1,0,0,0,0|3,0,0]=4 5592 B12R1.371 CCC(C)Sc1ccccc1N 62a_100000758301_100000210017 [0,1,0,0,0,0|3,0,0]=4 5593 B12R1.371 CCC(C)Sc1ccccc1O 62a_100000739446_100000758301 [0,1,0,0,0,0|3,0,0]=4 5594 B12R1.371 CCC(C)Sc1ccccc1O 62a_100000758301_100000739446 [0,1,0,0,0,0|3,0,0]=4 5595 B12R1.371 CCC(C)Sc1cccnc1Cl 62a_100000036424_100000758301 [0,1,0,0,0,0|3,0,0]=4 5596 B12R1.371 CCC(C)Sc1cccnc1Cl 62a_100000758301_100000036424 [0,1,0,0,0,0|3,0,0]=4 5597 B12R1.371 CCC(C)Sc1ccncc1Cl 62a_100000708259_100000758301 [0,1,0,0,0,0|3,0,0]=4 5598 B12R1.371 CCC(C)Sc1ccncc1Cl 62a_100000758301_100000708259 [0,1,0,0,0,0|3,0,0]=4 5599 B12R1.371 CCC(C)Sc1cnccc1Cl 62a_100000758301_100009995489 [0,1,0,0,0,0|3,0,0]=4 5600 B12R1.371 CCC(C)Sc1cnccc1Cl 62a_100009995489_100000758301 [0,1,0,0,0,0|3,0,0]=4 5601 B12R1.371 CCC(C)Sc1ncccc1Cl 62a_100000758301_100011356963 [0,1,0,0,0,0|3,0,0]=4 5602 B12R1.371 CCC(C)Sc1ncccc1Cl 62a_100011356963_100000758301 [0,1,0,0,0,0|3,0,0]=4 5603 B12R1.371 CCN(C)Cc1ccccc1Br 2230a_100000184654_100000210202 [0,1,0,0,0,0|2,1,0]=4 5604 B12R1.371 CCN(C)Cc1ccccc1Br 2230a_100000225621_100000184730 [0,1,0,0,0,0|2,1,0]=4 5605 B12R1.371 CCN(C)Cc1ccccc1Br 269982a_100000184654_100000204670 [0,1,0,0,0,0|2,1,0]=4 5606 B12R1.371 CCN(C)Cc1ccccc1Br 269982a_100000225621_100000184730 [0,1,0,0,0,0|2,1,0]=4 5607 B12R1.371 CCN(C)Cc1ccccc1Br 26a_100000225621_100000181306 [0,1,0,0,0,0|2,1,0]=4 5608 B12R1.371 CCN(C)Cc1ccccc1C 2230a_100000184421_100000210202 [0,1,0,0,0,0|3,0,0]=4 5609 B12R1.371 CCN(C)Cc1ccccc1C 2230a_100000201206_200000210301 [0,1,0,0,0,0|3,0,0]=4 5610 B12R1.371 CCN(C)Cc1ccccc1C 2230a_100000225621_100000211839 [0,1,0,0,0,0|3,0,0]=4 5611 B12R1.371 CCN(C)Cc1ccccc1C 269982a_100000184421_100000204670 [0,1,0,0,0,0|3,0,0]=4 5612 B12R1.371 CCN(C)Cc1ccccc1C 269982a_100000201206_200000210301 [0,1,0,0,0,0|3,0,0]=4 5613 B12R1.371 CCN(C)Cc1ccccc1C 269982a_100000225621_100000211839 [0,1,0,0,0,0|3,0,0]=4 5614 B12R1.371 CCN(C)Cc1ccccc1Cl 2230a_100000184507_100000210202 [0,1,0,0,0,0|2,0,0]=3 5615 B12R1.371 CCN(C)Cc1ccccc1Cl 2230a_100000201176_200000210301 [0,1,0,0,0,0|2,0,0]=3 5616 B12R1.371 CCN(C)Cc1ccccc1Cl 2230a_100000225621_100000187162 [0,1,0,0,0,0|2,0,0]=3 5617 B12R1.371 CCN(C)Cc1ccccc1Cl 269982a_100000184507_100000204670 [0,1,0,0,0,0|2,0,0]=3 5618 B12R1.371 CCN(C)Cc1ccccc1Cl 269982a_100000201176_200000210301 [0,1,0,0,0,0|2,0,0]=3 5619 B12R1.371 CCN(C)Cc1ccccc1Cl 269982a_100000225621_100000187162 [0,1,0,0,0,0|2,0,0]=3 5620 B12R1.371 CCN(C)Cc1ccccc1Cl 26a_100000225621_100000210172 [0,1,0,0,0,0|2,0,0]=3 5621 B12R1.371 CCN(C)Cc1ccccc1F 2230a_100000225621_100000211605 [0,1,0,0,0,0|2,1,0]=4 5622 B12R1.371 CCN(C)Cc1ccccc1F 2230a_100000742528_100000210202 [0,1,0,0,0,0|2,1,0]=4 5623 B12R1.371 CCN(C)Cc1ccccc1F 2230a_100015186831_200000210301 [0,1,0,0,0,0|2,1,0]=4 5624 B12R1.371 CCN(C)Cc1ccccc1F 269982a_100000225621_100000211605 [0,1,0,0,0,0|2,1,0]=4 5625 B12R1.371 CCN(C)Cc1ccccc1F 269982a_100000742528_100000204670 [0,1,0,0,0,0|2,1,0]=4 5626 B12R1.371 CCN(C)Cc1ccccc1F 269982a_100015186831_200000210301 [0,1,0,0,0,0|2,1,0]=4 5627 B12R1.371 CCN(C)Cc1ccccc1F 34a_100000742528_100000210202 [0,1,0,0,0,0|2,1,0]=4 5628 B12R1.371 CCN(C)Cc1ccccc1F 34a_100015186831_200000210301 [0,1,0,0,0,0|2,1,0]=4 5629 B12R1.371 CCN(C)Cc1ccccc1I 2230a_100000225621_100011215278 [0,1,0,0,0,0|2,1,0]=4 5630 B12R1.371 CCN(C)Cc1ccccc1I 269982a_100000225621_100011215278 [0,1,0,0,0,0|2,1,0]=4 5631 B12R1.371 CCN(C)Cc1ccccc1O 2230a_100011223546_200000210301 [0,1,0,0,0,0|3,0,0]=4 5632 B12R1.371 CCN(C)Cc1ccccc1O 2230a_100015189988_100000210202 [0,1,0,0,0,0|3,0,0]=4 5633 B12R1.371 CCN(C)Cc1ccccc1O 269982a_100011223546_200000210301 [0,1,0,0,0,0|3,0,0]=4 5634 B12R1.371 CCN(C)Cc1ccccc1O 269982a_100015189988_100000204670 [0,1,0,0,0,0|3,0,0]=4 5635 B12R1.371 CCN(C)Cc1cccnc1Cl 2230a_100000225621_100000045678 [0,1,0,0,0,0|3,0,0]=4 5636 B12R1.371 CCN(C)Cc1cccnc1Cl 2230a_103496529121_100000210202 [0,1,0,0,0,0|3,0,0]=4 5637 B12R1.371 CCN(C)Cc1cccnc1Cl 269982a_100000225621_100000045678 [0,1,0,0,0,0|3,0,0]=4 5638 B12R1.371 CCN(C)Cc1cccnc1Cl 269982a_103496529121_100000204670 [0,1,0,0,0,0|3,0,0]=4 5639 B12R1.371 CCN(C)Cc1ccncc1Cl 2230a_100000225621_100000763264 [0,1,0,0,0,0|3,0,0]=4 5640 B12R1.371 CCN(C)Cc1ccncc1Cl 269982a_100000225621_100000763264 [0,1,0,0,0,0|3,0,0]=4 5641 B12R1.371 CCN(C)Cc1ncccc1Cl 2230a_100000225621_100000099807 [0,1,0,0,0,0|3,0,0]=4 5642 B12R1.371 CCN(C)Cc1ncccc1Cl 269982a_100000225621_100000099807 [0,1,0,0,0,0|3,0,0]=4 5643 B12R1.371 CCN([13CH3])Cc1ccccc1C 2230a_100000201206_200025704644 [0,1,0,0,0,0|3,0,0]=4 5644 B12R1.371 CCN([13CH3])Cc1ccccc1C 269982a_100000201206_200025704644 [0,1,0,0,0,0|3,0,0]=4 5645 B12R1.371 CCN([13CH3])Cc1ccccc1Cl 2230a_100000201176_200025704644 [0,1,0,0,0,0|2,0,0]=3 5646 B12R1.371 CCN([13CH3])Cc1ccccc1Cl 269982a_100000201176_200025704644 [0,1,0,0,0,0|2,0,0]=3 5647 B12R1.371 CCN([13CH3])Cc1ccccc1F 2230a_100015186831_200025704644 [0,1,0,0,0,0|2,1,0]=4 5648 B12R1.371 CCN([13CH3])Cc1ccccc1F 269982a_100015186831_200025704644 [0,1,0,0,0,0|2,1,0]=4 5649 B12R1.371 CCN([13CH3])Cc1ccccc1F 34a_100015186831_200025704644 [0,1,0,0,0,0|2,1,0]=4 5650 B12R1.371 CCN([13CH3])Cc1ccccc1O 2230a_100011223546_200025704644 [0,1,0,0,0,0|3,0,0]=4 5651 B12R1.371 CCN([13CH3])Cc1ccccc1O 269982a_100011223546_200025704644 [0,1,0,0,0,0|3,0,0]=4 5652 B12R1.371 CN(CF)Cc1ccccc1Cl 269982a_100000184507_100015361967 [0,1,0,0,0,0|3,0,0]=4 5653 B12R1.371 CNC(=O)Cc1ccccc1Br 11a_106832991635_100000751119 [0,1,0,0,0,0|0,1,1]=3 5654 B12R1.371 CNC(=O)Cc1ccccc1Br 240690a_100102657272_100000751119 [0,1,0,0,0,0|0,1,1]=3 5655 B12R1.371 CNC(=O)Cc1ccccc1Br 527a_100102657272_100000751119 [0,1,0,0,0,0|0,1,1]=3 5656 B12R1.371 CNC(=O)Cc1ccccc1C 11a_106832991635_100000212180 [0,1,0,0,0,0|1,0,1]=3 5657 B12R1.371 CNC(=O)Cc1ccccc1C 1626a_100102657272_100000212180 [0,1,0,0,0,0|1,0,1]=3 5658 B12R1.371 CNC(=O)Cc1ccccc1C 240690a_100102657272_100000212180 [0,1,0,0,0,0|1,0,1]=3 5659 B12R1.371 CNC(=O)Cc1ccccc1C 527a_100102657272_100000212180 [0,1,0,0,0,0|1,0,1]=3 5660 B12R1.371 CNC(=O)Cc1ccccc1Cl 11a_106832991635_100000183793 [0,1,0,0,0,0|0,0,1]=2 5661 B12R1.371 CNC(=O)Cc1ccccc1Cl 1626a_100102657272_100000183793 [0,1,0,0,0,0|0,0,1]=2 5662 B12R1.371 CNC(=O)Cc1ccccc1Cl 240690a_100102657272_100000183793 [0,1,0,0,0,0|0,0,1]=2 5663 B12R1.371 CNC(=O)Cc1ccccc1Cl 527a_100102657272_100000183793 [0,1,0,0,0,0|0,0,1]=2 5664 B12R1.371 CNC(=O)Cc1ccccc1F 11a_106832991635_100000212012 [0,1,0,0,0,0|0,1,1]=3 5665 B12R1.371 CNC(=O)Cc1ccccc1F 1626a_100102657272_100000212012 [0,1,0,0,0,0|0,1,1]=3 5666 B12R1.371 CNC(=O)Cc1ccccc1F 240690a_100102657272_100000212012 [0,1,0,0,0,0|0,1,1]=3 5667 B12R1.371 CNC(=O)Cc1ccccc1F 527a_100102657272_100000212012 [0,1,0,0,0,0|0,1,1]=3 5668 B12R1.371 CNC(=O)Cc1ccccc1I 11a_106832991635_100000036491 [0,1,0,0,0,0|0,1,1]=3 5669 B12R1.371 CNC(=O)Cc1ccccc1I 1626a_100102657272_100000036491 [0,1,0,0,0,0|0,1,1]=3 5670 B12R1.371 CNC(=O)Cc1ccccc1I 240690a_100102657272_100000036491 [0,1,0,0,0,0|0,1,1]=3 5671 B12R1.371 CNC(=O)Cc1ccccc1I 527a_100102657272_100000036491 [0,1,0,0,0,0|0,1,1]=3 5672 B12R1.371 CNC(=O)Cc1ccccc1O 240690a_100102657272_100000743006 [0,1,0,0,0,0|1,0,1]=3 5673 B12R1.371 CNC(=O)Cc1ccccc1O 271570a_203496583355_200009816160 [0,1,0,0,0,0|1,0,1]=3 5674 B12R1.371 CNC(=O)Cc1ccccc1O 527a_100102657272_100000743006 [0,1,0,0,0,0|1,0,1]=3 5675 B12R1.371 CNC(=O)Cc1cccnc1Cl 11a_106832991635_100000093521 [0,1,0,0,0,0|1,0,1]=3 5676 B12R1.371 CNC(=O)Cc1cccnc1Cl 1626a_100102657272_100000093521 [0,1,0,0,0,0|1,0,1]=3 5677 B12R1.371 CNC(=O)Cc1cccnc1Cl 240690a_100102657272_100000093521 [0,1,0,0,0,0|1,0,1]=3 5678 B12R1.371 CNC(=O)Cc1cccnc1Cl 527a_100102657272_100000093521 [0,1,0,0,0,0|1,0,1]=3 5679 B12R1.371 CNC(=O)Cc1ncccc1Br 11a_106832991635_200012357574 [0,1,0,0,0,0|1,1,1]=4 5680 B12R1.371 CNC(=O)Cc1ncccc1Br 240690a_100102657272_200012357574 [0,1,0,0,0,0|1,1,1]=4 5681 B12R1.371 CNC(=O)Cc1ncccc1C 11a_106832991635_200000722269 [0,1,0,0,0,0|2,0,1]=4 5682 B12R1.371 CNC(=O)Cc1ncccc1C 1626a_100102657272_200000722269 [0,1,0,0,0,0|2,0,1]=4 5683 B12R1.371 CNC(=O)Cc1ncccc1C 240690a_100102657272_200000722269 [0,1,0,0,0,0|2,0,1]=4 5684 B12R1.371 CNC(=O)Cc1ncccc1Cl 11a_106832991635_100011998755 [0,1,0,0,0,0|1,0,1]=3 5685 B12R1.371 CNC(=O)Cc1ncccc1Cl 240690a_100102657272_100011998755 [0,1,0,0,0,0|1,0,1]=3 5686 B12R1.371 CNC(=O)Cc1ncccc1Cl 527a_100102657272_100011998755 [0,1,0,0,0,0|1,0,1]=3 5687 B12R1.371 CNC(=O)Cn1ccccc1=O 1626a_100102657272_100000189665 [0,1,0,0,0,0|2,0,1]=4 5688 B12R1.371 CNC(=O)Cn1ccccc1=O 240690a_100102657272_100000189665 [0,1,0,0,0,0|2,0,1]=4 5689 B12R1.371 CNC(=O)Cn1ccccc1=O 527a_100102657272_100000189665 [0,1,0,0,0,0|2,0,1]=4 5690 B12R1.371 CNC(=O)Nc1ccccc1Br 2430a_100000210017_100102657272 [0,1,0,0,0,0|1,1,1]=4 5691 B12R1.371 CNC(=O)Nc1ccccc1C 2430a_100015192222_100102657272 [0,1,0,0,0,0|2,0,1]=4 5692 B12R1.371 CNC(=O)Nc1ccccc1Cl 2430a_100000185783_100102657272 [0,1,0,0,0,0|1,0,1]=3 5693 B12R1.371 CNC(=O)Nc1ccccc1F 2430a_100000210422_100102657272 [0,1,0,0,0,0|1,1,1]=4 5694 B12R1.371 CNC(=O)Nc1ccccc1I 2430a_100000210053_100102657272 [0,1,0,0,0,0|1,1,1]=4 5695 B12R1.371 CNC(=O)Nc1ccccc1O 2430a_100000185747_100102657272 [0,1,0,0,0,0|2,0,1]=4 5696 B12R1.371 CNC(C)Cc1ccccc1Br 270004a_106832991635_100011350739 [0,1,0,0,0,0|0,1,0]=2 5697 B12R1.371 CNC(C)Cc1ccccc1C 270004a_106832991635_200000764500 [0,1,0,0,0,0|1,0,0]=2 5698 B12R1.371 CNC(C)Cc1ccccc1Cl 270004a_106832991635_100000758791 [0,1,0,0,0,0|0,0,0]=1 5699 B12R1.371 CNC(C)Cc1ccccc1F 270004a_106832991635_100000709178 [0,1,0,0,0,0|0,1,0]=2 5700 B12R1.371 CNC(C)Cc1ncccc1C 270004a_106832991635_100011823981 [0,1,0,0,0,0|2,0,0]=3 5701 B12R1.371 COC(=O)Cc1ccccc1O 271570a_203496583355_100000699816 [0,1,0,0,0,0|2,0,1]=4 5702 B12R1.371 COC(C)Sc1ccccc1Br 62a_100000695589_100009879195 [0,1,0,0,0,0|2,1,0]=4 5703 B12R1.371 COC(C)Sc1ccccc1Br 62a_100009879195_100000695589 [0,1,0,0,0,0|2,1,0]=4 5704 B12R1.371 COC(C)Sc1ccccc1C 62a_100000210755_100009879195 [0,1,0,0,0,0|3,0,0]=4 5705 B12R1.371 COC(C)Sc1ccccc1C 62a_100009879195_100000210755 [0,1,0,0,0,0|3,0,0]=4 5706 B12R1.371 COC(C)Sc1ccccc1Cl 62a_100000764095_100009879195 [0,1,0,0,0,0|2,0,0]=3 5707 B12R1.371 COC(C)Sc1ccccc1Cl 62a_100009879195_100000764095 [0,1,0,0,0,0|2,0,0]=3 5708 B12R1.371 COC(C)Sc1ccccc1F 62a_100009879195_100011215700 [0,1,0,0,0,0|2,1,0]=4 5709 B12R1.371 COC(C)Sc1ccccc1F 62a_100011215700_100009879195 [0,1,0,0,0,0|2,1,0]=4 5710 B12R1.371 COC(C)Sc1ccccc1N 62a_100000210017_100009879195 [0,1,0,0,0,0|3,0,0]=4 5711 B12R1.371 COC(C)Sc1ccccc1N 62a_100009879195_100000210017 [0,1,0,0,0,0|3,0,0]=4 5712 B12R1.371 COC(C)Sc1ccccc1O 62a_100000739446_100009879195 [0,1,0,0,0,0|3,0,0]=4 5713 B12R1.371 COC(C)Sc1ccccc1O 62a_100009879195_100000739446 [0,1,0,0,0,0|3,0,0]=4 5714 B12R1.371 COC(C)Sc1cccnc1Cl 62a_100000036424_100009879195 [0,1,0,0,0,0|3,0,0]=4 5715 B12R1.371 COC(C)Sc1cccnc1Cl 62a_100009879195_100000036424 [0,1,0,0,0,0|3,0,0]=4 5716 B12R1.371 COC(C)Sc1ccncc1Cl 62a_100000708259_100009879195 [0,1,0,0,0,0|3,0,0]=4 5717 B12R1.371 COC(C)Sc1ccncc1Cl 62a_100009879195_100000708259 [0,1,0,0,0,0|3,0,0]=4 5718 B12R1.371 COC(C)Sc1cnccc1Cl 62a_100009879195_100009995489 [0,1,0,0,0,0|3,0,0]=4 5719 B12R1.371 COC(C)Sc1cnccc1Cl 62a_100009995489_100009879195 [0,1,0,0,0,0|3,0,0]=4 5720 B12R1.371 COC(C)Sc1ncccc1Cl 62a_100009879195_100011356963 [0,1,0,0,0,0|3,0,0]=4 5721 B12R1.371 COC(C)Sc1ncccc1Cl 62a_100011356963_100009879195 [0,1,0,0,0,0|3,0,0]=4 5722 B12R1.371 C[C@H](CO)Sc1ccccc1Cl 62a_100000764095_100016084084 [0,1,0,0,0,0|3,0,0]=4 5723 B12R1.371 C[C@H](CO)Sc1ccccc1Cl 62a_100016084084_100000764095 [0,1,0,0,0,0|3,0,0]=4 5724 B12R1.371 N#CC(F)Sc1ccccc1Cl 62a_100000764095_200000117898 [0,1,0,0,0,0|3,0,0]=4 5725 B12R1.371 N#CC(F)Sc1ccccc1Cl 62a_200000117898_100000764095 [0,1,0,0,0,0|3,0,0]=4 5726 B12R1.371 NNC(=O)Cc1ccccc1O 271570a_203496583355_200010210069 [0,1,0,0,0,0|2,0,1]=4 5727 B12R1.371 O=C(CF)Cc1ccccc1Cl 1458a_100000183793_100015361967 [0,1,0,0,0,0|2,0,1]=4 5728 B12R1.371 O=C(CO)Cc1ccccc1Cl 1458a_100000210174_100000187162 [0,1,0,0,0,0|2,0,1]=4 5729 B12R1.374 C#CCNc1cc(ccc1Cl)Br 34a_100000750497_100000184674 [0,1,0,0,0,0|2,0,1]=4 5730 B12R1.374 C#CCNc1cc(ccc1Cl)C 34a_100011215360_100000184674 [0,1,0,0,0,0|2,0,1]=4 5731 B12R1.374 C#CCNc1cc(ccc1Cl)Cl 34a_100000184485_100000184674 [0,1,0,0,0,0|2,0,1]=4 5732 B12R1.374 C#CCNc1cc(ccc1Cl)F 34a_100000751338_100000184674 [0,1,0,0,0,0|2,0,1]=4 5733 B12R1.374 C#CCNc1cc(ccc1Cl)I 34a_200000761891_100000184674 [0,1,0,0,0,0|2,0,1]=4 5734 B12R1.374 C#CCNc1cc(ccc1Cl)O 34a_100011934297_100000184674 [0,1,0,0,0,0|2,0,1]=4 5735 B12R1.374 C#CCOc1cc(ccc1Cl)Br 34a_100000738945_100000184674 [0,1,0,0,0,0|2,0,1]=4 5736 B12R1.374 C#CCOc1cc(ccc1Cl)Br 7a_100000738945_100000038162 [0,1,0,0,0,0|2,0,1]=4 5737 B12R1.374 C#CCOc1cc(ccc1Cl)C 34a_100000211493_100000184674 [0,1,0,0,0,0|2,0,1]=4 5738 B12R1.374 C#CCOc1cc(ccc1Cl)C 7a_100000211493_100000038162 [0,1,0,0,0,0|2,0,1]=4 5739 B12R1.374 C#CCOc1cc(ccc1Cl)Cl 34a_100000211422_100000184674 [0,1,0,0,0,0|2,0,1]=4 5740 B12R1.374 C#CCOc1cc(ccc1Cl)Cl 7a_100000211422_100000038162 [0,1,0,0,0,0|2,0,1]=4 5741 B12R1.374 C#CCOc1cc(ccc1Cl)F 34a_100000692107_100000184674 [0,1,0,0,0,0|2,0,1]=4 5742 B12R1.374 C#CCOc1cc(ccc1Cl)F 7a_100000692107_100000038162 [0,1,0,0,0,0|2,0,1]=4 5743 B12R1.374 C#CCOc1cc(ccc1Cl)I 34a_100011356854_100000184674 [0,1,0,0,0,0|2,0,1]=4 5744 B12R1.374 C#CCOc1cc(ccc1Cl)I 7a_100011356854_100000038162 [0,1,0,0,0,0|2,0,1]=4 5745 B12R1.374 C#CCOc1cc(ccc1Cl)N 34a_100011934209_100000184674 [0,1,0,0,0,0|2,0,1]=4 5746 B12R1.374 C#CCSc1cc(ccc1Cl)Br 62a_100000038162_100011772130 [0,1,0,0,0,0|2,0,1]=4 5747 B12R1.374 C#CCSc1cc(ccc1Cl)C 62a_100000038162_100012356289 [0,1,0,0,0,0|2,0,1]=4 5748 B12R1.374 C#CCSc1cc(ccc1Cl)Cl 62a_100000038162_100000707729 [0,1,0,0,0,0|2,0,1]=4 5749 B12R1.374 C#CCSc1cc(ccc1Cl)F 62a_100000038162_100011217299 [0,1,0,0,0,0|2,0,1]=4 5750 B12R1.374 C#CCSc1cc(ccc1Cl)N 62a_100000038162_100012360549 [0,1,0,0,0,0|2,0,1]=4 5751 B12R1.374 C#CCSc1cc(ccc1Cl)O 62a_100000038162_100000049588 [0,1,0,0,0,0|2,0,1]=4 5752 B12R1.374 C=CCNc1cc(ccc1Cl)Br 34a_100000750497_100015514636 [0,1,0,0,0,0|2,0,1]=4 5753 B12R1.374 C=CCNc1cc(ccc1Cl)C 34a_100011215360_100015514636 [0,1,0,0,0,0|2,0,1]=4 5754 B12R1.374 C=CCNc1cc(ccc1Cl)Cl 34a_100000184485_100015514636 [0,1,0,0,0,0|2,0,1]=4 5755 B12R1.374 C=CCNc1cc(ccc1Cl)F 34a_100000751338_100015514636 [0,1,0,0,0,0|2,0,1]=4 5756 B12R1.374 C=CCNc1cc(ccc1Cl)I 34a_200000761891_100015514636 [0,1,0,0,0,0|2,0,1]=4 5757 B12R1.374 C=CCNc1cc(ccc1Cl)O 34a_100011934297_100015514636 [0,1,0,0,0,0|2,0,1]=4 5758 B12R1.374 C=CCOc1cc(ccc1Cl)Br 34a_100000738945_100015514636 [0,1,0,0,0,0|2,0,1]=4 5759 B12R1.374 C=CCOc1cc(ccc1Cl)Br 7a_100000738945_100015514636 [0,1,0,0,0,0|2,0,1]=4 5760 B12R1.374 C=CCOc1cc(ccc1Cl)C 34a_100000211493_100015514636 [0,1,0,0,0,0|2,0,1]=4 5761 B12R1.374 C=CCOc1cc(ccc1Cl)C 7a_100000211493_100015514636 [0,1,0,0,0,0|2,0,1]=4 5762 B12R1.374 C=CCOc1cc(ccc1Cl)Cl 34a_100000211422_100015514636 [0,1,0,0,0,0|2,0,1]=4 5763 B12R1.374 C=CCOc1cc(ccc1Cl)Cl 7a_100000211422_100015514636 [0,1,0,0,0,0|2,0,1]=4 5764 B12R1.374 C=CCOc1cc(ccc1Cl)F 34a_100000692107_100015514636 [0,1,0,0,0,0|2,0,1]=4 5765 B12R1.374 C=CCOc1cc(ccc1Cl)F 7a_100000692107_100015514636 [0,1,0,0,0,0|2,0,1]=4 5766 B12R1.374 C=CCOc1cc(ccc1Cl)I 34a_100011356854_100015514636 [0,1,0,0,0,0|2,0,1]=4 5767 B12R1.374 C=CCOc1cc(ccc1Cl)I 7a_100011356854_100015514636 [0,1,0,0,0,0|2,0,1]=4 5768 B12R1.374 C=CCOc1cc(ccc1Cl)N 34a_100011934209_100015514636 [0,1,0,0,0,0|2,0,1]=4 5769 B12R1.374 C=CCSc1cc(ccc1Cl)Br 62a_100000210623_100011772130 [0,1,0,0,0,0|2,0,1]=4 5770 B12R1.374 C=CCSc1cc(ccc1Cl)Br 62a_100011772130_100000210623 [0,1,0,0,0,0|2,0,1]=4 5771 B12R1.374 C=CCSc1cc(ccc1Cl)C 62a_100000210623_100012356289 [0,1,0,0,0,0|2,0,1]=4 5772 B12R1.374 C=CCSc1cc(ccc1Cl)C 62a_100012356289_100000210623 [0,1,0,0,0,0|2,0,1]=4 5773 B12R1.374 C=CCSc1cc(ccc1Cl)Cl 62a_100000210623_100000707729 [0,1,0,0,0,0|2,0,1]=4 5774 B12R1.374 C=CCSc1cc(ccc1Cl)Cl 62a_100000707729_100000210623 [0,1,0,0,0,0|2,0,1]=4 5775 B12R1.374 C=CCSc1cc(ccc1Cl)F 62a_100000210623_100011217299 [0,1,0,0,0,0|2,0,1]=4 5776 B12R1.374 C=CCSc1cc(ccc1Cl)F 62a_100011217299_100000210623 [0,1,0,0,0,0|2,0,1]=4 5777 B12R1.374 C=CCSc1cc(ccc1Cl)N 62a_100000210623_100012360549 [0,1,0,0,0,0|2,0,1]=4 5778 B12R1.374 C=CCSc1cc(ccc1Cl)N 62a_100012360549_100000210623 [0,1,0,0,0,0|2,0,1]=4 5779 B12R1.374 C=CCSc1cc(ccc1Cl)O 62a_100000049588_100000210623 [0,1,0,0,0,0|2,0,1]=4 5780 B12R1.374 C=CCSc1cc(ccc1Cl)O 62a_100000210623_100000049588 [0,1,0,0,0,0|2,0,1]=4 5781 B12R1.374 CC=NNc1cc(ccc1Cl)C 4a_200020642191_200000210099 [0,1,0,0,0,0|3,0,0]=4 5782 B12R1.374 CC=NNc1cc(ccc1Cl)Cl 4a_100000765587_200000210099 [0,1,0,0,0,0|3,0,0]=4 5783 B12R1.374 CC=NNc1cc(ccc1Cl)F 4a_100016987657_200000210099 [0,1,0,0,0,0|3,0,0]=4 5784 B12R1.374 CCCCc1cc(=O)[nH]cc1F 271570a_100020621405_100009817642 [0,1,0,0,0,0|2,1,0]=4 5785 B12R1.374 CCCCc1cc(c[nH]c1=O)F 271570a_100020621405_100009817720 [0,1,0,0,0,0|3,0,0]=4 5786 B12R1.374 CCCCc1cc(ccc1Br)Br 271570a_100020621405_100011483371 [0,1,0,0,0,0|1,1,0]=3 5787 B12R1.374 CCCCc1cc(ccc1Br)C 271570a_100020621405_100012353751 [0,1,0,0,0,0|1,1,0]=3 5788 B12R1.374 CCCCc1cc(ccc1Br)Cl 271570a_100020621405_100012339723 [0,1,0,0,0,0|1,1,0]=3 5789 B12R1.374 CCCCc1cc(ccc1Br)F 271570a_100020621405_100011217576 [0,1,0,0,0,0|1,1,0]=3 5790 B12R1.374 CCCCc1cc(ccc1Br)N 271570a_100020621405_100000750459 [0,1,0,0,0,0|1,1,0]=3 5791 B12R1.374 CCCCc1cc(ccc1Br)O 271570a_100020621405_100012339312 [0,1,0,0,0,0|1,1,0]=3 5792 B12R1.374 CCCCc1cc(ccc1C)Br 271570a_100020621405_100011344865 [0,1,0,0,0,0|2,0,0]=3 5793 B12R1.374 CCCCc1cc(ccc1C)C 271570a_100020621405_100000210833 [0,1,0,0,0,0|2,0,0]=3 5794 B12R1.374 CCCCc1cc(ccc1C)Cl 271570a_100020621405_100011263213 [0,1,0,0,0,0|2,0,0]=3 5795 B12R1.374 CCCCc1cc(ccc1C)F 271570a_100020621405_100011218078 [0,1,0,0,0,0|2,0,0]=3 5796 B12R1.374 CCCCc1cc(ccc1C)N 271570a_100020621405_100000736455 [0,1,0,0,0,0|2,0,0]=3 5797 B12R1.374 CCCCc1cc(ccc1C)O 271570a_100020621405_100011380479 [0,1,0,0,0,0|2,0,0]=3 5798 B12R1.374 CCCCc1cc(ccc1Cl)Br 271570a_100020621405_100011772130 [0,1,0,0,0,0|1,0,0]=2 5799 B12R1.374 CCCCc1cc(ccc1Cl)C 271570a_100020621405_100012356289 [0,1,0,0,0,0|1,0,0]=2 5800 B12R1.374 CCCCc1cc(ccc1Cl)Cl 271570a_100020621405_100000707729 [0,1,0,0,0,0|1,0,0]=2 5801 B12R1.374 CCCCc1cc(ccc1Cl)F 271570a_100020621405_100011217299 [0,1,0,0,0,0|1,0,0]=2 5802 B12R1.374 CCCCc1cc(ccc1Cl)N 271570a_100020621405_100012360549 [0,1,0,0,0,0|1,0,0]=2 5803 B12R1.374 CCCCc1cc(ccc1Cl)O 271570a_100020621405_100000049588 [0,1,0,0,0,0|1,0,0]=2 5804 B12R1.374 CCCCc1cc(ccc1F)Br 271570a_100020621405_100011217312 [0,1,0,0,0,0|1,1,0]=3 5805 B12R1.374 CCCCc1cc(ccc1F)C 271570a_100020621405_100000736223 [0,1,0,0,0,0|1,1,0]=3 5806 B12R1.374 CCCCc1cc(ccc1F)Cl 271570a_100020621405_100011218116 [0,1,0,0,0,0|1,1,0]=3 5807 B12R1.374 CCCCc1cc(ccc1F)F 271570a_100020621405_100000750033 [0,1,0,0,0,0|1,1,0]=3 5808 B12R1.374 CCCCc1cc(ccc1F)N 271570a_100020621405_100000760356 [0,1,0,0,0,0|1,1,0]=3 5809 B12R1.374 CCCCc1cc(ccc1F)O 271570a_100020621405_100000693481 [0,1,0,0,0,0|1,1,0]=3 5810 B12R1.374 CCCCc1cc(ccc1N)Br 271570a_100020621405_100000187925 [0,1,0,0,0,0|2,0,0]=3 5811 B12R1.374 CCCCc1cc(ccc1N)C 271570a_100020621405_100000210942 [0,1,0,0,0,0|2,0,0]=3 5812 B12R1.374 CCCCc1cc(ccc1N)Cl 271570a_100020621405_100000761889 [0,1,0,0,0,0|2,0,0]=3 5813 B12R1.374 CCCCc1cc(ccc1N)F 271570a_100020621405_100000760547 [0,1,0,0,0,0|2,0,0]=3 5814 B12R1.374 CCCCc1cc(ccc1N)N 271570a_100020621405_100011534242 [0,1,0,0,0,0|2,0,0]=3 5815 B12R1.374 CCCCc1cc(ccc1N)O 271570a_100020621405_100012001276 [0,1,0,0,0,0|2,0,0]=3 5816 B12R1.374 CCCCc1cc(ccc1O)Br 271570a_100020621405_100012355227 [0,1,0,0,0,0|2,0,0]=3 5817 B12R1.374 CCCCc1cc(ccc1O)C 271570a_100020621405_100000765521 [0,1,0,0,0,0|2,0,0]=3 5818 B12R1.374 CCCCc1cc(ccc1O)Cl 271570a_100020621405_100011356953 [0,1,0,0,0,0|2,0,0]=3 5819 B12R1.374 CCCCc1cc(ccc1O)F 271570a_100020621405_100000211999 [0,1,0,0,0,0|2,0,0]=3 5820 B12R1.374 CCCCc1cc(ccc1O)N 271570a_100020621405_100011534360 [0,1,0,0,0,0|2,0,0]=3 5821 B12R1.374 CCCCc1cc(ccc1O)O 271570a_100020621405_100009813629 [0,1,0,0,0,0|2,0,0]=3 5822 B12R1.374 CCCCc1cc(cnc1Br)N 271570a_100020621405_100010201102 [0,1,0,0,0,0|2,1,0]=4 5823 B12R1.374 CCCCc1cc(cnc1C)Br 271570a_100020621405_200010090566 [0,1,0,0,0,0|3,0,0]=4 5824 B12R1.374 CCCCc1cc(cnc1C)C 271570a_100020621405_100009817436 [0,1,0,0,0,0|3,0,0]=4 5825 B12R1.374 CCCCc1cc(cnc1C)F 271570a_100020621405_100009860710 [0,1,0,0,0,0|3,0,0]=4 5826 B12R1.374 CCCCc1cc(cnc1C)N 271570a_100020621405_100011998591 [0,1,0,0,0,0|3,0,0]=4 5827 B12R1.374 CCCCc1cc(cnc1C)O 271570a_100020621405_100009819603 [0,1,0,0,0,0|3,0,0]=4 5828 B12R1.374 CCCCc1cc(cnc1Cl)Br 271570a_100020621405_100009814771 [0,1,0,0,0,0|2,0,0]=3 5829 B12R1.374 CCCCc1cc(cnc1Cl)C 271570a_100020621405_100010210167 [0,1,0,0,0,0|2,0,0]=3 5830 B12R1.374 CCCCc1cc(cnc1Cl)Cl 271570a_100020621405_200000062399 [0,1,0,0,0,0|2,0,0]=3 5831 B12R1.374 CCCCc1cc(cnc1Cl)N 271570a_100020621405_100010253917 [0,1,0,0,0,0|2,0,0]=3 5832 B12R1.374 CCCCc1cc(cnc1F)Br 271570a_100020621405_100010172738 [0,1,0,0,0,0|2,1,0]=4 5833 B12R1.374 CCCCc1cc(cnc1F)C 271570a_100020621405_100000049784 [0,1,0,0,0,0|2,1,0]=4 5834 B12R1.374 CCCCc1cc(cnc1F)Cl 271570a_100020621405_100010188783 [0,1,0,0,0,0|2,1,0]=4 5835 B12R1.374 CCCCc1cc(cnc1F)F 271570a_100020621405_100009820768 [0,1,0,0,0,0|2,1,0]=4 5836 B12R1.374 CCCCc1cc(cnc1F)N 271570a_100020621405_100009840397 [0,1,0,0,0,0|2,1,0]=4 5837 B12R1.374 CCCCc1cc(cnc1F)O 271570a_100020621405_100009817267 [0,1,0,0,0,0|2,1,0]=4 5838 B12R1.374 CCCCc1cc(cnc1N)Br 271570a_100020621405_100000760472 [0,1,0,0,0,0|3,0,0]=4 5839 B12R1.374 CCCCc1cc(cnc1N)C 271570a_100020621405_100000049664 [0,1,0,0,0,0|3,0,0]=4 5840 B12R1.374 CCCCc1cc(cnc1N)Cl 271570a_100020621405_100000050159 [0,1,0,0,0,0|3,0,0]=4 5841 B12R1.374 CCCCc1cc(cnc1N)F 271570a_100020621405_100009814671 [0,1,0,0,0,0|3,0,0]=4 5842 B12R1.374 CCCCc1cc(cnc1N)N 271570a_100020621405_200011934315 [0,1,0,0,0,0|3,0,0]=4 5843 B12R1.374 CCCCc1cc(cnc1O)Br 271570a_100020621405_100010197142 [0,1,0,0,0,0|3,0,0]=4 5844 B12R1.374 CCCCc1cc(cnc1O)C 271570a_100020621405_100000049931 [0,1,0,0,0,0|3,0,0]=4 5845 B12R1.374 CCCCc1cc(cnc1O)Cl 271570a_100020621405_100010188700 [0,1,0,0,0,0|3,0,0]=4 5846 B12R1.374 CCCCc1cc(ncc1Br)Br 271570a_100020621405_100010171693 [0,1,0,0,0,0|2,1,0]=4 5847 B12R1.374 CCCCc1cc(ncc1Br)Cl 271570a_100020621405_100009815598 [0,1,0,0,0,0|2,1,0]=4 5848 B12R1.374 CCCCc1cc(ncc1C)Br 271570a_100020621405_100010067628 [0,1,0,0,0,0|3,0,0]=4 5849 B12R1.374 CCCCc1cc(ncc1C)C 271570a_100020621405_100009862788 [0,1,0,0,0,0|3,0,0]=4 5850 B12R1.374 CCCCc1cc(ncc1C)Cl 271570a_100020621405_100010068021 [0,1,0,0,0,0|3,0,0]=4 5851 B12R1.374 CCCCc1cc(ncc1C)F 271570a_100020621405_100000049870 [0,1,0,0,0,0|3,0,0]=4 5852 B12R1.374 CCCCc1cc(ncc1C)N 271570a_100020621405_100009819938 [0,1,0,0,0,0|3,0,0]=4 5853 B12R1.374 CCCCc1cc(ncc1C)O 271570a_100020621405_100009831917 [0,1,0,0,0,0|3,0,0]=4 5854 B12R1.374 CCCCc1cc(ncc1Cl)Br 271570a_100020621405_100010223331 [0,1,0,0,0,0|2,0,0]=3 5855 B12R1.374 CCCCc1cc(ncc1Cl)Cl 271570a_100020621405_100010172835 [0,1,0,0,0,0|2,0,0]=3 5856 B12R1.374 CCCCc1cc(ncc1Cl)F 271570a_100020621405_100009892587 [0,1,0,0,0,0|2,0,0]=3 5857 B12R1.374 CCCCc1cc(ncc1Cl)N 271570a_100020621405_100010134119 [0,1,0,0,0,0|2,0,0]=3 5858 B12R1.374 CCCCc1cc(ncc1F)Br 271570a_100020621405_100010193852 [0,1,0,0,0,0|2,1,0]=4 5859 B12R1.374 CCCCc1cc(ncc1F)C 271570a_100020621405_100009867690 [0,1,0,0,0,0|2,1,0]=4 5860 B12R1.374 CCCCc1cc(ncc1F)Cl 271570a_100020621405_100000708277 [0,1,0,0,0,0|2,1,0]=4 5861 B12R1.374 CCCCc1cc(ncc1F)F 271570a_100020621405_100010233071 [0,1,0,0,0,0|2,1,0]=4 5862 B12R1.374 CCCCc1cc(ncc1F)N 271570a_100020621405_100015713587 [0,1,0,0,0,0|2,1,0]=4 5863 B12R1.374 CCCCc1cc(ncc1N)Cl 271570a_100020621405_100000050123 [0,1,0,0,0,0|3,0,0]=4 5864 B12R1.374 CCCCc1cc(ncc1O)C 271570a_100020621405_100009843476 [0,1,0,0,0,0|3,0,0]=4 5865 B12R1.374 CCCCc1cc(ncc1O)Cl 271570a_100020621405_100000698892 [0,1,0,0,0,0|3,0,0]=4 5866 B12R1.374 CCCCc1cn(ccc1=O)C 271570a_100020621405_100010750718 [0,1,0,0,0,0|3,0,0]=4 5867 B12R1.374 CCCCc1nc(ccc1Br)N 271570a_100020621405_100010192275 [0,1,0,0,0,0|2,1,0]=4 5868 B12R1.374 CCCCc1nc(ccc1C)C 271570a_100020621405_100009854376 [0,1,0,0,0,0|3,0,0]=4 5869 B12R1.374 CCCCc1nc(ccc1C)N 271570a_100020621405_100000126722 [0,1,0,0,0,0|3,0,0]=4 5870 B12R1.374 CCCCc1nc(ccc1F)C 271570a_100020621405_100009817602 [0,1,0,0,0,0|2,1,0]=4 5871 B12R1.374 CCCCc1nc(ccc1F)Cl 271570a_100020621405_100010136221 [0,1,0,0,0,0|2,1,0]=4 5872 B12R1.374 CCCCc1nc(ccc1F)F 271570a_100020621405_100010997973 [0,1,0,0,0,0|2,1,0]=4 5873 B12R1.374 CCCCc1nc(ccc1F)N 271570a_100020621405_100010892222 [0,1,0,0,0,0|2,1,0]=4 5874 B12R1.374 CCCCc1nc(ccc1N)Br 271570a_100020621405_100010168765 [0,1,0,0,0,0|3,0,0]=4 5875 B12R1.374 CCCCc1nc(ccc1N)C 271570a_100020621405_100000685570 [0,1,0,0,0,0|3,0,0]=4 5876 B12R1.374 CCCCc1nc(ccc1N)Cl 271570a_100020621405_100010233647 [0,1,0,0,0,0|3,0,0]=4 5877 B12R1.374 CCCCc1nc(ccc1N)F 271570a_100020621405_100009879877 [0,1,0,0,0,0|3,0,0]=4 5878 B12R1.374 CCCCc1nc(ccc1N)N 271570a_100020621405_200009884323 [0,1,0,0,0,0|3,0,0]=4 5879 B12R1.374 CCCCc1nc(ccc1O)Br 271570a_100020621405_100010253912 [0,1,0,0,0,0|3,0,0]=4 5880 B12R1.374 CCCCc1nc(ccc1O)C 271570a_100020621405_100000702858 [0,1,0,0,0,0|3,0,0]=4 5881 B12R1.374 CCCCc1nc(ccc1O)Cl 271570a_100020621405_100000696390 [0,1,0,0,0,0|3,0,0]=4 5882 B12R1.374 CCCCc1nc(ccc1O)F 271570a_100020621405_100010382442 [0,1,0,0,0,0|3,0,0]=4 5883 B12R1.374 CCCNc1cc(ccc1Br)Br 34a_100000737762_100000210303 [0,1,0,0,0,0|2,1,0]=4 5884 B12R1.374 CCCNc1cc(ccc1Br)C 34a_100000745044_100000210303 [0,1,0,0,0,0|2,1,0]=4 5885 B12R1.374 CCCNc1cc(ccc1Br)Cl 34a_100000687073_100000210303 [0,1,0,0,0,0|2,1,0]=4 5886 B12R1.374 CCCNc1cc(ccc1Br)F 34a_100000687223_100000210303 [0,1,0,0,0,0|2,1,0]=4 5887 B12R1.374 CCCNc1cc(ccc1Br)O 34a_100011999798_100000210303 [0,1,0,0,0,0|2,1,0]=4 5888 B12R1.374 CCCNc1cc(ccc1C)Br 34a_100000741167_100000210303 [0,1,0,0,0,0|3,0,0]=4 5889 B12R1.374 CCCNc1cc(ccc1C)Br 7a_100000741167_100000210303 [0,1,0,0,0,0|3,0,0]=4 5890 B12R1.374 CCCNc1cc(ccc1C)C 2230a_100000185781_100000210303 [0,1,0,0,0,0|3,0,0]=4 5891 B12R1.374 CCCNc1cc(ccc1C)C 34a_100000185781_100000210303 [0,1,0,0,0,0|3,0,0]=4 5892 B12R1.374 CCCNc1cc(ccc1C)C 7a_100000185781_100000210303 [0,1,0,0,0,0|3,0,0]=4 5893 B12R1.374 CCCNc1cc(ccc1C)Cl 34a_100000211374_100000210303 [0,1,0,0,0,0|3,0,0]=4 5894 B12R1.374 CCCNc1cc(ccc1C)Cl 7a_100000211374_100000210303 [0,1,0,0,0,0|3,0,0]=4 5895 B12R1.374 CCCNc1cc(ccc1C)F 34a_100000211107_100000210303 [0,1,0,0,0,0|3,0,0]=4 5896 B12R1.374 CCCNc1cc(ccc1C)F 7a_100000211107_100000210303 [0,1,0,0,0,0|3,0,0]=4 5897 B12R1.374 CCCNc1cc(ccc1C)I 7a_100000761890_100000210303 [0,1,0,0,0,0|3,0,0]=4 5898 B12R1.374 CCCNc1cc(ccc1C)O 34a_100011216113_100000210303 [0,1,0,0,0,0|3,0,0]=4 5899 B12R1.374 CCCNc1cc(ccc1Cl)Br 34a_100000750497_100000210303 [0,1,0,0,0,0|2,0,0]=3 5900 B12R1.374 CCCNc1cc(ccc1Cl)C 34a_100011215360_100000210303 [0,1,0,0,0,0|2,0,0]=3 5901 B12R1.374 CCCNc1cc(ccc1Cl)Cl 34a_100000184485_100000210303 [0,1,0,0,0,0|2,0,0]=3 5902 B12R1.374 CCCNc1cc(ccc1Cl)F 34a_100000751338_100000210303 [0,1,0,0,0,0|2,0,0]=3 5903 B12R1.374 CCCNc1cc(ccc1Cl)I 34a_200000761891_100000210303 [0,1,0,0,0,0|2,0,0]=3 5904 B12R1.374 CCCNc1cc(ccc1Cl)O 34a_100011934297_100000210303 [0,1,0,0,0,0|2,0,0]=3 5905 B12R1.374 CCCNc1cc(ccc1F)Br 34a_100000740924_100000210303 [0,1,0,0,0,0|2,1,0]=4 5906 B12R1.374 CCCNc1cc(ccc1F)C 34a_100000211285_100000210303 [0,1,0,0,0,0|2,1,0]=4 5907 B12R1.374 CCCNc1cc(ccc1F)Cl 34a_100000212115_100000210303 [0,1,0,0,0,0|2,1,0]=4 5908 B12R1.374 CCCNc1cc(ccc1F)F 34a_100000210742_100000210303 [0,1,0,0,0,0|2,1,0]=4 5909 B12R1.374 CCCNc1cc(ccc1F)I 34a_100011464823_100000210303 [0,1,0,0,0,0|2,1,0]=4 5910 B12R1.374 CCCNc1cc(ccc1F)O 34a_100012017239_100000210303 [0,1,0,0,0,0|2,1,0]=4 5911 B12R1.374 CCCNc1cc(ccc1I)Br 34a_100000743836_100000210303 [0,1,0,0,0,0|2,1,0]=4 5912 B12R1.374 CCCNc1cc(ccc1I)C 34a_100011216686_100000210303 [0,1,0,0,0,0|2,1,0]=4 5913 B12R1.374 CCCNc1cc(ccc1I)Cl 34a_100000761886_100000210303 [0,1,0,0,0,0|2,1,0]=4 5914 B12R1.374 CCCNc1cc(ccc1I)F 34a_100011218093_100000210303 [0,1,0,0,0,0|2,1,0]=4 5915 B12R1.374 CCCNc1cc(ccc1O)Br 34a_100000752626_100000210303 [0,1,0,0,0,0|3,0,0]=4 5916 B12R1.374 CCCNc1cc(ccc1O)C 34a_100011215204_100000210303 [0,1,0,0,0,0|3,0,0]=4 5917 B12R1.374 CCCNc1cc(ccc1O)Cl 34a_100000210500_100000210303 [0,1,0,0,0,0|3,0,0]=4 5918 B12R1.374 CCCNc1cc(ccc1O)F 34a_100000759472_100000210303 [0,1,0,0,0,0|3,0,0]=4 5919 B12R1.374 CCCOc1cc(=O)[nH]cc1Cl 34a_100000069390_100000210303 [0,1,0,0,0,0|3,0,0]=4 5920 B12R1.374 CCCOc1cc(ccc1Br)Br 34a_100011220040_100000210303 [0,1,0,0,0,0|2,1,0]=4 5921 B12R1.374 CCCOc1cc(ccc1Br)Br 7a_100011220040_100000210303 [0,1,0,0,0,0|2,1,0]=4 5922 B12R1.374 CCCOc1cc(ccc1Br)C 34a_100012002257_100000210303 [0,1,0,0,0,0|2,1,0]=4 5923 B12R1.374 CCCOc1cc(ccc1Br)C 7a_100012002257_100000210303 [0,1,0,0,0,0|2,1,0]=4 5924 B12R1.374 CCCOc1cc(ccc1Br)Cl 34a_100012339455_100000210303 [0,1,0,0,0,0|2,1,0]=4 5925 B12R1.374 CCCOc1cc(ccc1Br)Cl 7a_100012339455_100000210303 [0,1,0,0,0,0|2,1,0]=4 5926 B12R1.374 CCCOc1cc(ccc1Br)F 34a_100000690578_100000210303 [0,1,0,0,0,0|2,1,0]=4 5927 B12R1.374 CCCOc1cc(ccc1Br)F 7a_100000690578_100000210303 [0,1,0,0,0,0|2,1,0]=4 5928 B12R1.374 CCCOc1cc(ccc1Br)I 34a_100012356990_100000210303 [0,1,0,0,0,0|2,1,0]=4 5929 B12R1.374 CCCOc1cc(ccc1Br)I 7a_100012356990_100000210303 [0,1,0,0,0,0|2,1,0]=4 5930 B12R1.374 CCCOc1cc(ccc1C)Br 34a_100000685420_100000210303 [0,1,0,0,0,0|3,0,0]=4 5931 B12R1.374 CCCOc1cc(ccc1C)Br 7a_100000685420_100000210303 [0,1,0,0,0,0|3,0,0]=4 5932 B12R1.374 CCCOc1cc(ccc1C)C 34a_100000210931_100000210303 [0,1,0,0,0,0|3,0,0]=4 5933 B12R1.374 CCCOc1cc(ccc1C)C 7a_100000210931_100000210303 [0,1,0,0,0,0|3,0,0]=4 5934 B12R1.374 CCCOc1cc(ccc1C)Cl 34a_100000756515_100000210303 [0,1,0,0,0,0|3,0,0]=4 5935 B12R1.374 CCCOc1cc(ccc1C)Cl 7a_100000756515_100000210303 [0,1,0,0,0,0|3,0,0]=4 5936 B12R1.374 CCCOc1cc(ccc1C)F 34a_100000690566_100000210303 [0,1,0,0,0,0|3,0,0]=4 5937 B12R1.374 CCCOc1cc(ccc1C)F 7a_100000690566_100000210303 [0,1,0,0,0,0|3,0,0]=4 5938 B12R1.374 CCCOc1cc(ccc1C)I 7a_100000766334_100000210303 [0,1,0,0,0,0|3,0,0]=4 5939 B12R1.374 CCCOc1cc(ccc1C)N 34a_100000759471_100000210303 [0,1,0,0,0,0|3,0,0]=4 5940 B12R1.374 CCCOc1cc(ccc1C)N 7a_100000759471_100000210303 [0,1,0,0,0,0|3,0,0]=4 5941 B12R1.374 CCCOc1cc(ccc1Cl)Br 34a_100000738945_100000210303 [0,1,0,0,0,0|2,0,0]=3 5942 B12R1.374 CCCOc1cc(ccc1Cl)Br 7a_100000738945_100000210303 [0,1,0,0,0,0|2,0,0]=3 5943 B12R1.374 CCCOc1cc(ccc1Cl)C 34a_100000211493_100000210303 [0,1,0,0,0,0|2,0,0]=3 5944 B12R1.374 CCCOc1cc(ccc1Cl)C 7a_100000211493_100000210303 [0,1,0,0,0,0|2,0,0]=3 5945 B12R1.374 CCCOc1cc(ccc1Cl)Cl 34a_100000211422_100000210303 [0,1,0,0,0,0|2,0,0]=3 5946 B12R1.374 CCCOc1cc(ccc1Cl)Cl 7a_100000211422_100000210303 [0,1,0,0,0,0|2,0,0]=3 5947 B12R1.374 CCCOc1cc(ccc1Cl)F 34a_100000692107_100000210303 [0,1,0,0,0,0|2,0,0]=3 5948 B12R1.374 CCCOc1cc(ccc1Cl)F 7a_100000692107_100000210303 [0,1,0,0,0,0|2,0,0]=3 5949 B12R1.374 CCCOc1cc(ccc1Cl)I 34a_100011356854_100000210303 [0,1,0,0,0,0|2,0,0]=3 5950 B12R1.374 CCCOc1cc(ccc1Cl)I 7a_100011356854_100000210303 [0,1,0,0,0,0|2,0,0]=3 5951 B12R1.374 CCCOc1cc(ccc1Cl)N 34a_100011934209_100000210303 [0,1,0,0,0,0|2,0,0]=3 5952 B12R1.374 CCCOc1cc(ccc1F)Br 34a_100000686035_100000210303 [0,1,0,0,0,0|2,1,0]=4 5953 B12R1.374 CCCOc1cc(ccc1F)Br 7a_100000686035_100000210303 [0,1,0,0,0,0|2,1,0]=4 5954 B12R1.374 CCCOc1cc(ccc1F)C 34a_100000759540_100000210303 [0,1,0,0,0,0|2,1,0]=4 5955 B12R1.374 CCCOc1cc(ccc1F)C 7a_100000759540_100000210303 [0,1,0,0,0,0|2,1,0]=4 5956 B12R1.374 CCCOc1cc(ccc1F)Cl 34a_100000757397_100000210303 [0,1,0,0,0,0|2,1,0]=4 5957 B12R1.374 CCCOc1cc(ccc1F)Cl 7a_100000757397_100000210303 [0,1,0,0,0,0|2,1,0]=4 5958 B12R1.374 CCCOc1cc(ccc1F)F 34a_100000752141_100000210303 [0,1,0,0,0,0|2,1,0]=4 5959 B12R1.374 CCCOc1cc(ccc1F)F 7a_100000752141_100000210303 [0,1,0,0,0,0|2,1,0]=4 5960 B12R1.374 CCCOc1cc(ccc1F)I 34a_100009958187_100000210303 [0,1,0,0,0,0|2,1,0]=4 5961 B12R1.374 CCCOc1cc(ccc1F)I 7a_100009958187_100000210303 [0,1,0,0,0,0|2,1,0]=4 5962 B12R1.374 CCCOc1cc(ccc1F)N 34a_100012017398_100000210303 [0,1,0,0,0,0|2,1,0]=4 5963 B12R1.374 CCCOc1cc(ccc1F)N 7a_100012017398_100000210303 [0,1,0,0,0,0|2,1,0]=4 5964 B12R1.374 CCCOc1cc(ccc1I)Br 34a_100012344904_100000210303 [0,1,0,0,0,0|2,1,0]=4 5965 B12R1.374 CCCOc1cc(ccc1I)Br 7a_100012344904_100000210303 [0,1,0,0,0,0|2,1,0]=4 5966 B12R1.374 CCCOc1cc(ccc1I)Cl 34a_100000050036_100000210303 [0,1,0,0,0,0|2,1,0]=4 5967 B12R1.374 CCCOc1cc(ccc1I)Cl 7a_100000050036_100000210303 [0,1,0,0,0,0|2,1,0]=4 5968 B12R1.374 CCCOc1cc(ccc1I)F 34a_100010084537_100000210303 [0,1,0,0,0,0|2,1,0]=4 5969 B12R1.374 CCCOc1cc(ccc1I)F 7a_100010084537_100000210303 [0,1,0,0,0,0|2,1,0]=4 5970 B12R1.374 CCCOc1cc(ccc1N)Br 34a_100000739049_100000210303 [0,1,0,0,0,0|3,0,0]=4 5971 B12R1.374 CCCOc1cc(ccc1N)Br 7a_100000739049_100000210303 [0,1,0,0,0,0|3,0,0]=4 5972 B12R1.374 CCCOc1cc(ccc1N)C 34a_100000211527_100000210303 [0,1,0,0,0,0|3,0,0]=4 5973 B12R1.374 CCCOc1cc(ccc1N)C 7a_100000211527_100000210303 [0,1,0,0,0,0|3,0,0]=4 5974 B12R1.374 CCCOc1cc(ccc1N)Cl 34a_100000185728_100000210303 [0,1,0,0,0,0|3,0,0]=4 5975 B12R1.374 CCCOc1cc(ccc1N)Cl 7a_100000185728_100000210303 [0,1,0,0,0,0|3,0,0]=4 5976 B12R1.374 CCCOc1cc(ccc1N)F 34a_100000753323_100000210303 [0,1,0,0,0,0|3,0,0]=4 5977 B12R1.374 CCCOc1cc(ccc1N)F 7a_100000753323_100000210303 [0,1,0,0,0,0|3,0,0]=4 5978 B12R1.374 CCCOc1cc(ccc1N)I 34a_100000057187_100000210303 [0,1,0,0,0,0|3,0,0]=4 5979 B12R1.374 CCCOc1cc(ccc1N)I 7a_100000057187_100000210303 [0,1,0,0,0,0|3,0,0]=4 5980 B12R1.374 CCCOc1cc(ccc1N)N 34a_100025717382_100000210303 [0,1,0,0,0,0|3,0,0]=4 5981 B12R1.374 CCCOc1cc(ccc1O)F 271570a_203496583355_200012344540 [0,1,0,0,0,0|3,0,0]=4 5982 B12R1.374 CCCOc1cc(cnc1Cl)Br 34a_100012354860_100000210303 [0,1,0,0,0,0|3,0,0]=4 5983 B12R1.374 CCCOc1cc(cnc1Cl)Br 7a_100012354860_100000210303 [0,1,0,0,0,0|3,0,0]=4 5984 B12R1.374 CCCOc1cc(cnc1Cl)C 34a_100012000487_100000210303 [0,1,0,0,0,0|3,0,0]=4 5985 B12R1.374 CCCOc1cc(cnc1Cl)C 7a_100012000487_100000210303 [0,1,0,0,0,0|3,0,0]=4 5986 B12R1.374 CCCOc1cc(cnc1Cl)F 34a_100000079967_100000210303 [0,1,0,0,0,0|3,0,0]=4 5987 B12R1.374 CCCOc1cc(cnc1Cl)F 7a_100000079967_100000210303 [0,1,0,0,0,0|3,0,0]=4 5988 B12R1.374 CCCOc1cc(ncc1Cl)Br 34a_100010173861_100000210303 [0,1,0,0,0,0|3,0,0]=4 5989 B12R1.374 CCCSc1cc(ccc1Br)Br 62a_100000210303_100011483371 [0,1,0,0,0,0|2,1,0]=4 5990 B12R1.374 CCCSc1cc(ccc1Br)Br 62a_100011483371_100000210303 [0,1,0,0,0,0|2,1,0]=4 5991 B12R1.374 CCCSc1cc(ccc1Br)C 62a_100000210303_100012353751 [0,1,0,0,0,0|2,1,0]=4 5992 B12R1.374 CCCSc1cc(ccc1Br)C 62a_100012353751_100000210303 [0,1,0,0,0,0|2,1,0]=4 5993 B12R1.374 CCCSc1cc(ccc1Br)Cl 62a_100000210303_100012339723 [0,1,0,0,0,0|2,1,0]=4 5994 B12R1.374 CCCSc1cc(ccc1Br)Cl 62a_100012339723_100000210303 [0,1,0,0,0,0|2,1,0]=4 5995 B12R1.374 CCCSc1cc(ccc1Br)F 62a_100000210303_100011217576 [0,1,0,0,0,0|2,1,0]=4 5996 B12R1.374 CCCSc1cc(ccc1Br)F 62a_100011217576_100000210303 [0,1,0,0,0,0|2,1,0]=4 5997 B12R1.374 CCCSc1cc(ccc1Br)N 62a_100000210303_100000750459 [0,1,0,0,0,0|2,1,0]=4 5998 B12R1.374 CCCSc1cc(ccc1Br)N 62a_100000750459_100000210303 [0,1,0,0,0,0|2,1,0]=4 5999 B12R1.374 CCCSc1cc(ccc1Br)O 62a_100000210303_100012339312 [0,1,0,0,0,0|2,1,0]=4 6000 B12R1.374 CCCSc1cc(ccc1Br)O 62a_100012339312_100000210303 [0,1,0,0,0,0|2,1,0]=4 6001 B12R1.374 CCCSc1cc(ccc1C)Br 62a_100000210303_100011344865 [0,1,0,0,0,0|3,0,0]=4 6002 B12R1.374 CCCSc1cc(ccc1C)Br 62a_100011344865_100000210303 [0,1,0,0,0,0|3,0,0]=4 6003 B12R1.374 CCCSc1cc(ccc1C)C 62a_100000210303_100000210833 [0,1,0,0,0,0|3,0,0]=4 6004 B12R1.374 CCCSc1cc(ccc1C)C 62a_100000210833_100000210303 [0,1,0,0,0,0|3,0,0]=4 6005 B12R1.374 CCCSc1cc(ccc1C)Cl 62a_100000210303_100011263213 [0,1,0,0,0,0|3,0,0]=4 6006 B12R1.374 CCCSc1cc(ccc1C)Cl 62a_100011263213_100000210303 [0,1,0,0,0,0|3,0,0]=4 6007 B12R1.374 CCCSc1cc(ccc1C)F 62a_100000210303_100011218078 [0,1,0,0,0,0|3,0,0]=4 6008 B12R1.374 CCCSc1cc(ccc1C)F 62a_100011218078_100000210303 [0,1,0,0,0,0|3,0,0]=4 6009 B12R1.374 CCCSc1cc(ccc1C)N 62a_100000210303_100000736455 [0,1,0,0,0,0|3,0,0]=4 6010 B12R1.374 CCCSc1cc(ccc1C)N 62a_100000736455_100000210303 [0,1,0,0,0,0|3,0,0]=4 6011 B12R1.374 CCCSc1cc(ccc1C)O 62a_100000210303_100011380479 [0,1,0,0,0,0|3,0,0]=4 6012 B12R1.374 CCCSc1cc(ccc1C)O 62a_100011380479_100000210303 [0,1,0,0,0,0|3,0,0]=4 6013 B12R1.374 CCCSc1cc(ccc1Cl)Br 62a_100000210303_100011772130 [0,1,0,0,0,0|2,0,0]=3 6014 B12R1.374 CCCSc1cc(ccc1Cl)Br 62a_100011772130_100000210303 [0,1,0,0,0,0|2,0,0]=3 6015 B12R1.374 CCCSc1cc(ccc1Cl)C 62a_100000210303_100012356289 [0,1,0,0,0,0|2,0,0]=3 6016 B12R1.374 CCCSc1cc(ccc1Cl)C 62a_100012356289_100000210303 [0,1,0,0,0,0|2,0,0]=3 6017 B12R1.374 CCCSc1cc(ccc1Cl)Cl 62a_100000210303_100000707729 [0,1,0,0,0,0|2,0,0]=3 6018 B12R1.374 CCCSc1cc(ccc1Cl)Cl 62a_100000707729_100000210303 [0,1,0,0,0,0|2,0,0]=3 6019 B12R1.374 CCCSc1cc(ccc1Cl)F 62a_100000210303_100011217299 [0,1,0,0,0,0|2,0,0]=3 6020 B12R1.374 CCCSc1cc(ccc1Cl)F 62a_100011217299_100000210303 [0,1,0,0,0,0|2,0,0]=3 6021 B12R1.374 CCCSc1cc(ccc1Cl)N 62a_100000210303_100012360549 [0,1,0,0,0,0|2,0,0]=3 6022 B12R1.374 CCCSc1cc(ccc1Cl)N 62a_100012360549_100000210303 [0,1,0,0,0,0|2,0,0]=3 6023 B12R1.374 CCCSc1cc(ccc1Cl)O 62a_100000049588_100000210303 [0,1,0,0,0,0|2,0,0]=3 6024 B12R1.374 CCCSc1cc(ccc1Cl)O 62a_100000210303_100000049588 [0,1,0,0,0,0|2,0,0]=3 6025 B12R1.374 CCCSc1cc(ccc1F)Br 62a_100000210303_100011217312 [0,1,0,0,0,0|2,1,0]=4 6026 B12R1.374 CCCSc1cc(ccc1F)Br 62a_100011217312_100000210303 [0,1,0,0,0,0|2,1,0]=4 6027 B12R1.374 CCCSc1cc(ccc1F)C 62a_100000210303_100000736223 [0,1,0,0,0,0|2,1,0]=4 6028 B12R1.374 CCCSc1cc(ccc1F)C 62a_100000736223_100000210303 [0,1,0,0,0,0|2,1,0]=4 6029 B12R1.374 CCCSc1cc(ccc1F)Cl 62a_100000210303_100011218116 [0,1,0,0,0,0|2,1,0]=4 6030 B12R1.374 CCCSc1cc(ccc1F)Cl 62a_100011218116_100000210303 [0,1,0,0,0,0|2,1,0]=4 6031 B12R1.374 CCCSc1cc(ccc1F)F 62a_100000210303_100011219198 [0,1,0,0,0,0|2,1,0]=4 6032 B12R1.374 CCCSc1cc(ccc1F)F 62a_100011219198_100000210303 [0,1,0,0,0,0|2,1,0]=4 6033 B12R1.374 CCCSc1cc(ccc1F)N 62a_100000210303_100000760356 [0,1,0,0,0,0|2,1,0]=4 6034 B12R1.374 CCCSc1cc(ccc1F)N 62a_100000760356_100000210303 [0,1,0,0,0,0|2,1,0]=4 6035 B12R1.374 CCCSc1cc(ccc1F)O 62a_100000210303_100000693481 [0,1,0,0,0,0|2,1,0]=4 6036 B12R1.374 CCCSc1cc(ccc1F)O 62a_100000693481_100000210303 [0,1,0,0,0,0|2,1,0]=4 6037 B12R1.374 CCCSc1cc(ccc1N)Br 62a_100000187925_100000210303 [0,1,0,0,0,0|3,0,0]=4 6038 B12R1.374 CCCSc1cc(ccc1N)Br 62a_100000210303_100000187925 [0,1,0,0,0,0|3,0,0]=4 6039 B12R1.374 CCCSc1cc(ccc1N)C 62a_100000210303_100011356834 [0,1,0,0,0,0|3,0,0]=4 6040 B12R1.374 CCCSc1cc(ccc1N)C 62a_100011356834_100000210303 [0,1,0,0,0,0|3,0,0]=4 6041 B12R1.374 CCCSc1cc(ccc1N)Cl 62a_100000210303_100000761889 [0,1,0,0,0,0|3,0,0]=4 6042 B12R1.374 CCCSc1cc(ccc1N)Cl 62a_100000761889_100000210303 [0,1,0,0,0,0|3,0,0]=4 6043 B12R1.374 CCCSc1cc(ccc1N)F 62a_100000210303_100000760547 [0,1,0,0,0,0|3,0,0]=4 6044 B12R1.374 CCCSc1cc(ccc1N)F 62a_100000760547_100000210303 [0,1,0,0,0,0|3,0,0]=4 6045 B12R1.374 CCCSc1cc(ccc1N)N 62a_100000210303_100011534242 [0,1,0,0,0,0|3,0,0]=4 6046 B12R1.374 CCCSc1cc(ccc1N)N 62a_100011534242_100000210303 [0,1,0,0,0,0|3,0,0]=4 6047 B12R1.374 CCCSc1cc(ccc1N)O 62a_100000210303_100012001276 [0,1,0,0,0,0|3,0,0]=4 6048 B12R1.374 CCCSc1cc(ccc1N)O 62a_100012001276_100000210303 [0,1,0,0,0,0|3,0,0]=4 6049 B12R1.374 CCCSc1cc(ccc1O)Br 62a_100000210303_100012355227 [0,1,0,0,0,0|3,0,0]=4 6050 B12R1.374 CCCSc1cc(ccc1O)Br 62a_100012355227_100000210303 [0,1,0,0,0,0|3,0,0]=4 6051 B12R1.374 CCCSc1cc(ccc1O)C 62a_100000210303_100000765521 [0,1,0,0,0,0|3,0,0]=4 6052 B12R1.374 CCCSc1cc(ccc1O)C 62a_100000765521_100000210303 [0,1,0,0,0,0|3,0,0]=4 6053 B12R1.374 CCCSc1cc(ccc1O)Cl 62a_100000210303_100011356953 [0,1,0,0,0,0|3,0,0]=4 6054 B12R1.374 CCCSc1cc(ccc1O)Cl 62a_100011356953_100000210303 [0,1,0,0,0,0|3,0,0]=4 6055 B12R1.374 CCCSc1cc(ccc1O)F 62a_100000210303_100000211999 [0,1,0,0,0,0|3,0,0]=4 6056 B12R1.374 CCCSc1cc(ccc1O)F 62a_100000211999_100000210303 [0,1,0,0,0,0|3,0,0]=4 6057 B12R1.374 CCCSc1cc(ccc1O)N 62a_100000210303_100011534360 [0,1,0,0,0,0|3,0,0]=4 6058 B12R1.374 CCCSc1cc(ccc1O)N 62a_100011534360_100000210303 [0,1,0,0,0,0|3,0,0]=4 6059 B12R1.374 CCCSc1cc(ccc1O)O 62a_100000210303_100009813629 [0,1,0,0,0,0|3,0,0]=4 6060 B12R1.374 CCCSc1cc(cnc1Cl)Br 62a_100000210303_100009814771 [0,1,0,0,0,0|3,0,0]=4 6061 B12R1.374 CCCSc1cc(cnc1Cl)Br 62a_100009814771_100000210303 [0,1,0,0,0,0|3,0,0]=4 6062 B12R1.374 CCCSc1cc(cnc1Cl)C 62a_100000210303_100010210167 [0,1,0,0,0,0|3,0,0]=4 6063 B12R1.374 CCCSc1cc(cnc1Cl)C 62a_100010210167_100000210303 [0,1,0,0,0,0|3,0,0]=4 6064 B12R1.374 CCCSc1cc(cnc1Cl)Cl 62a_100000210303_200000062399 [0,1,0,0,0,0|3,0,0]=4 6065 B12R1.374 CCCSc1cc(cnc1Cl)Cl 62a_200000062399_100000210303 [0,1,0,0,0,0|3,0,0]=4 6066 B12R1.374 CCCSc1cc(cnc1Cl)N 62a_100000210303_100010253917 [0,1,0,0,0,0|3,0,0]=4 6067 B12R1.374 CCCSc1cc(cnc1Cl)N 62a_100010253917_100000210303 [0,1,0,0,0,0|3,0,0]=4 6068 B12R1.374 CCCSc1cc(ncc1Cl)Br 62a_100000210303_100010223331 [0,1,0,0,0,0|3,0,0]=4 6069 B12R1.374 CCCSc1cc(ncc1Cl)Br 62a_100010223331_100000210303 [0,1,0,0,0,0|3,0,0]=4 6070 B12R1.374 CCCSc1cc(ncc1Cl)Cl 62a_100000210303_100010172835 [0,1,0,0,0,0|3,0,0]=4 6071 B12R1.374 CCCSc1cc(ncc1Cl)Cl 62a_100010172835_100000210303 [0,1,0,0,0,0|3,0,0]=4 6072 B12R1.374 CCCSc1cc(ncc1Cl)F 62a_100000210303_100009892587 [0,1,0,0,0,0|3,0,0]=4 6073 B12R1.374 CCCSc1cc(ncc1Cl)F 62a_100009892587_100000210303 [0,1,0,0,0,0|3,0,0]=4 6074 B12R1.374 CCCSc1cc(ncc1Cl)N 62a_100000210303_100010134119 [0,1,0,0,0,0|3,0,0]=4 6075 B12R1.374 CCCSc1cc(ncc1Cl)N 62a_100010134119_100000210303 [0,1,0,0,0,0|3,0,0]=4 6076 B12R1.374 CCNCc1cc(ccc1Br)Br 207a_100015525214_100011266429 [0,1,0,0,0,0|2,1,0]=4 6077 B12R1.374 CCNCc1cc(ccc1Br)Br 2230a_100015525214_100011982794 [0,1,0,0,0,0|2,1,0]=4 6078 B12R1.374 CCNCc1cc(ccc1Br)Br 270004a_100015525214_100011266429 [0,1,0,0,0,0|2,1,0]=4 6079 B12R1.374 CCNCc1cc(ccc1Br)Br 34a_100000707832_100000210202 [0,1,0,0,0,0|2,1,0]=4 6080 B12R1.374 CCNCc1cc(ccc1Br)C 207a_100015525214_100011551863 [0,1,0,0,0,0|2,1,0]=4 6081 B12R1.374 CCNCc1cc(ccc1Br)C 270004a_100015525214_100011551863 [0,1,0,0,0,0|2,1,0]=4 6082 B12R1.374 CCNCc1cc(ccc1Br)Cl 207a_100015525214_100000746314 [0,1,0,0,0,0|2,1,0]=4 6083 B12R1.374 CCNCc1cc(ccc1Br)Cl 2230a_100015525214_100000733903 [0,1,0,0,0,0|2,1,0]=4 6084 B12R1.374 CCNCc1cc(ccc1Br)Cl 270004a_100015525214_100000746314 [0,1,0,0,0,0|2,1,0]=4 6085 B12R1.374 CCNCc1cc(ccc1Br)F 207a_100015525214_100000766564 [0,1,0,0,0,0|2,1,0]=4 6086 B12R1.374 CCNCc1cc(ccc1Br)F 2230a_100000742738_100000210202 [0,1,0,0,0,0|2,1,0]=4 6087 B12R1.374 CCNCc1cc(ccc1Br)F 2230a_100015525214_100000736370 [0,1,0,0,0,0|2,1,0]=4 6088 B12R1.374 CCNCc1cc(ccc1Br)F 270004a_100015525214_100000766564 [0,1,0,0,0,0|2,1,0]=4 6089 B12R1.374 CCNCc1cc(ccc1Br)F 34a_100000742738_100000210202 [0,1,0,0,0,0|2,1,0]=4 6090 B12R1.374 CCNCc1cc(ccc1Br)I 207a_100015525214_100010185652 [0,1,0,0,0,0|2,1,0]=4 6091 B12R1.374 CCNCc1cc(ccc1Br)I 2230a_100015525214_100012355412 [0,1,0,0,0,0|2,1,0]=4 6092 B12R1.374 CCNCc1cc(ccc1C)Br 207a_100015525214_100011361606 [0,1,0,0,0,0|3,0,0]=4 6093 B12R1.374 CCNCc1cc(ccc1C)Br 270004a_100015525214_100011361606 [0,1,0,0,0,0|3,0,0]=4 6094 B12R1.374 CCNCc1cc(ccc1C)C 207a_100015525214_100000211343 [0,1,0,0,0,0|3,0,0]=4 6095 B12R1.374 CCNCc1cc(ccc1C)C 2230a_100015525214_100000184699 [0,1,0,0,0,0|3,0,0]=4 6096 B12R1.374 CCNCc1cc(ccc1C)C 270004a_100015525214_100000211343 [0,1,0,0,0,0|3,0,0]=4 6097 B12R1.374 CCNCc1cc(ccc1C)C 34a_100000174964_100000210202 [0,1,0,0,0,0|3,0,0]=4 6098 B12R1.374 CCNCc1cc(ccc1C)Cl 207a_100015525214_100011551331 [0,1,0,0,0,0|3,0,0]=4 6099 B12R1.374 CCNCc1cc(ccc1C)Cl 2230a_100015525214_100012186985 [0,1,0,0,0,0|3,0,0]=4 6100 B12R1.374 CCNCc1cc(ccc1C)Cl 270004a_100015525214_100011551331 [0,1,0,0,0,0|3,0,0]=4 6101 B12R1.374 CCNCc1cc(ccc1C)Cl 34a_100000717755_100000210202 [0,1,0,0,0,0|3,0,0]=4 6102 B12R1.374 CCNCc1cc(ccc1C)F 207a_100015525214_100000697687 [0,1,0,0,0,0|3,0,0]=4 6103 B12R1.374 CCNCc1cc(ccc1C)F 2230a_100015525214_100000709795 [0,1,0,0,0,0|3,0,0]=4 6104 B12R1.374 CCNCc1cc(ccc1C)F 270004a_100015525214_100000697687 [0,1,0,0,0,0|3,0,0]=4 6105 B12R1.374 CCNCc1cc(ccc1C)F 34a_100011217291_100000210202 [0,1,0,0,0,0|3,0,0]=4 6106 B12R1.374 CCNCc1cc(ccc1C)O 34a_200009844824_100000210202 [0,1,0,0,0,0|3,0,0]=4 6107 B12R1.374 CCNCc1cc(ccc1Cl)Br 207a_100015525214_100000746309 [0,1,0,0,0,0|2,0,0]=3 6108 B12R1.374 CCNCc1cc(ccc1Cl)Br 2230a_100015525214_100000763347 [0,1,0,0,0,0|2,0,0]=3 6109 B12R1.374 CCNCc1cc(ccc1Cl)Br 270004a_100015525214_100000746309 [0,1,0,0,0,0|2,0,0]=3 6110 B12R1.374 CCNCc1cc(ccc1Cl)Br 34a_100025772652_100000210202 [0,1,0,0,0,0|2,0,0]=3 6111 B12R1.374 CCNCc1cc(ccc1Cl)C 207a_100015525214_100011551332 [0,1,0,0,0,0|2,0,0]=3 6112 B12R1.374 CCNCc1cc(ccc1Cl)C 2230a_100015525214_100009871730 [0,1,0,0,0,0|2,0,0]=3 6113 B12R1.374 CCNCc1cc(ccc1Cl)C 2230a_100025705715_100000210202 [0,1,0,0,0,0|2,0,0]=3 6114 B12R1.374 CCNCc1cc(ccc1Cl)C 270004a_100015525214_100011551332 [0,1,0,0,0,0|2,0,0]=3 6115 B12R1.374 CCNCc1cc(ccc1Cl)C 34a_100025705715_100000210202 [0,1,0,0,0,0|2,0,0]=3 6116 B12R1.374 CCNCc1cc(ccc1Cl)Cl 207a_100015525214_100000746308 [0,1,0,0,0,0|2,0,0]=3 6117 B12R1.374 CCNCc1cc(ccc1Cl)Cl 2230a_100015525214_100000756322 [0,1,0,0,0,0|2,0,0]=3 6118 B12R1.374 CCNCc1cc(ccc1Cl)Cl 270004a_100015525214_100000746308 [0,1,0,0,0,0|2,0,0]=3 6119 B12R1.374 CCNCc1cc(ccc1Cl)Cl 34a_100102946428_100000210202 [0,1,0,0,0,0|2,0,0]=3 6120 B12R1.374 CCNCc1cc(ccc1Cl)F 207a_100015525214_100011218309 [0,1,0,0,0,0|2,0,0]=3 6121 B12R1.374 CCNCc1cc(ccc1Cl)F 2230a_100011830483_100000210202 [0,1,0,0,0,0|2,0,0]=3 6122 B12R1.374 CCNCc1cc(ccc1Cl)F 2230a_100015525214_100000709952 [0,1,0,0,0,0|2,0,0]=3 6123 B12R1.374 CCNCc1cc(ccc1Cl)F 270004a_100015525214_100011218309 [0,1,0,0,0,0|2,0,0]=3 6124 B12R1.374 CCNCc1cc(ccc1Cl)F 34a_100011830483_100000210202 [0,1,0,0,0,0|2,0,0]=3 6125 B12R1.374 CCNCc1cc(ccc1Cl)I 207a_100015525214_100010254384 [0,1,0,0,0,0|2,0,0]=3 6126 B12R1.374 CCNCc1cc(ccc1Cl)I 2230a_100015525214_100010188191 [0,1,0,0,0,0|2,0,0]=3 6127 B12R1.374 CCNCc1cc(ccc1F)Br 207a_100015525214_100000211465 [0,1,0,0,0,0|2,1,0]=4 6128 B12R1.374 CCNCc1cc(ccc1F)Br 2230a_100015525214_100000736399 [0,1,0,0,0,0|2,1,0]=4 6129 B12R1.374 CCNCc1cc(ccc1F)Br 270004a_100015525214_100000211465 [0,1,0,0,0,0|2,1,0]=4 6130 B12R1.374 CCNCc1cc(ccc1F)Br 34a_100009815772_100000210202 [0,1,0,0,0,0|2,1,0]=4 6131 B12R1.374 CCNCc1cc(ccc1F)C 207a_100015525214_100000756917 [0,1,0,0,0,0|2,1,0]=4 6132 B12R1.374 CCNCc1cc(ccc1F)C 2230a_100015525214_100011260760 [0,1,0,0,0,0|2,1,0]=4 6133 B12R1.374 CCNCc1cc(ccc1F)C 270004a_100015525214_100000756917 [0,1,0,0,0,0|2,1,0]=4 6134 B12R1.374 CCNCc1cc(ccc1F)C 34a_100102693586_100000210202 [0,1,0,0,0,0|2,1,0]=4 6135 B12R1.374 CCNCc1cc(ccc1F)Cl 207a_100015525214_100000745245 [0,1,0,0,0,0|2,1,0]=4 6136 B12R1.374 CCNCc1cc(ccc1F)Cl 2230a_100015525214_100000716957 [0,1,0,0,0,0|2,1,0]=4 6137 B12R1.374 CCNCc1cc(ccc1F)Cl 270004a_100015525214_100000745245 [0,1,0,0,0,0|2,1,0]=4 6138 B12R1.374 CCNCc1cc(ccc1F)Cl 34a_100011211646_100000210202 [0,1,0,0,0,0|2,1,0]=4 6139 B12R1.374 CCNCc1cc(ccc1F)F 207a_100015525214_100000740046 [0,1,0,0,0,0|2,1,0]=4 6140 B12R1.374 CCNCc1cc(ccc1F)F 2230a_100015525214_100000741279 [0,1,0,0,0,0|2,1,0]=4 6141 B12R1.374 CCNCc1cc(ccc1F)F 270004a_100015525214_100000740046 [0,1,0,0,0,0|2,1,0]=4 6142 B12R1.374 CCNCc1cc(ccc1F)F 34a_100000752317_100000210202 [0,1,0,0,0,0|2,1,0]=4 6143 B12R1.374 CCNCc1cc(ccc1F)I 207a_100015525214_100000050626 [0,1,0,0,0,0|2,1,0]=4 6144 B12R1.374 CCNCc1cc(ccc1F)I 2230a_100015525214_200010149601 [0,1,0,0,0,0|2,1,0]=4 6145 B12R1.374 CCNCc1cc(ccc1F)O 271570a_203496583355_100000748473 [0,1,0,0,0,0|2,1,0]=4 6146 B12R1.374 CCNCc1cc(ccc1I)Br 207a_100015525214_100010185651 [0,1,0,0,0,0|2,1,0]=4 6147 B12R1.374 CCNCc1cc(ccc1I)Br 2230a_100015525214_100012362523 [0,1,0,0,0,0|2,1,0]=4 6148 B12R1.374 CCNCc1cc(ccc1I)Br 270004a_100015525214_100010185651 [0,1,0,0,0,0|2,1,0]=4 6149 B12R1.374 CCNCc1cc(ccc1I)C 207a_100015525214_100010150105 [0,1,0,0,0,0|2,1,0]=4 6150 B12R1.374 CCNCc1cc(ccc1I)C 270004a_100015525214_100010150105 [0,1,0,0,0,0|2,1,0]=4 6151 B12R1.374 CCNCc1cc(ccc1I)Cl 207a_100015525214_100010254386 [0,1,0,0,0,0|2,1,0]=4 6152 B12R1.374 CCNCc1cc(ccc1I)Cl 2230a_100015525214_100012348826 [0,1,0,0,0,0|2,1,0]=4 6153 B12R1.374 CCNCc1cc(ccc1I)Cl 270004a_100015525214_100010254386 [0,1,0,0,0,0|2,1,0]=4 6154 B12R1.374 CCNCc1cc(ccc1I)F 207a_100015525214_100010186294 [0,1,0,0,0,0|2,1,0]=4 6155 B12R1.374 CCNCc1cc(ccc1I)F 2230a_100015525214_100010149606 [0,1,0,0,0,0|2,1,0]=4 6156 B12R1.374 CCNCc1cc(ccc1I)F 270004a_100015525214_100010186294 [0,1,0,0,0,0|2,1,0]=4 6157 B12R1.374 CCNCc1cc(ccc1O)Br 34a_100000730032_100000210202 [0,1,0,0,0,0|3,0,0]=4 6158 B12R1.374 CCNCc1cc(ccc1O)Cl 34a_100000238540_100000210202 [0,1,0,0,0,0|3,0,0]=4 6159 B12R1.374 CCNCc1cc(ccc1O)O 271570a_203496583355_100000765307 [0,1,0,0,0,0|3,0,0]=4 6160 B12R1.374 CCNCc1cc(cnc1Cl)Br 207a_100015525214_100009816941 [0,1,0,0,0,0|3,0,0]=4 6161 B12R1.374 CCNCc1cc(cnc1Cl)Br 2230a_100015525214_100009816982 [0,1,0,0,0,0|3,0,0]=4 6162 B12R1.374 CCNCc1cc(cnc1Cl)C 207a_100015525214_100000050350 [0,1,0,0,0,0|3,0,0]=4 6163 B12R1.374 CCNCc1cc(cnc1Cl)Cl 207a_100015525214_100000086932 [0,1,0,0,0,0|3,0,0]=4 6164 B12R1.374 CCNCc1cc(cnc1Cl)F 207a_100015525214_100000079965 [0,1,0,0,0,0|3,0,0]=4 6165 B12R1.374 CCNCc1cc(ncc1Cl)Br 270004a_100015525214_100010214479 [0,1,0,0,0,0|3,0,0]=4 6166 B12R1.374 CCNCc1cc(ncc1Cl)Cl 270004a_100015525214_100000050890 [0,1,0,0,0,0|3,0,0]=4 6167 B12R1.374 CCNCc1nc(ccc1Cl)C 2230a_100015525214_200009852033 [0,1,0,0,0,0|3,0,0]=4 6168 B12R1.374 CCNCc1nc(ccc1Cl)Cl 2230a_100015525214_100000059412 [0,1,0,0,0,0|3,0,0]=4 6169 B12R1.374 CCNCc1nc(ccc1Cl)Cl 270004a_100015525214_100011935248 [0,1,0,0,0,0|3,0,0]=4 6170 B12R1.374 CCOCc1cc(ccc1Br)Br 34a_100011266457_100000210202 [0,1,0,0,0,0|2,1,0]=4 6171 B12R1.374 CCOCc1cc(ccc1Br)Br 34a_100121572206_100011982794 [0,1,0,0,0,0|2,1,0]=4 6172 B12R1.374 CCOCc1cc(ccc1Br)Br 7a_100011266457_100000210202 [0,1,0,0,0,0|2,1,0]=4 6173 B12R1.374 CCOCc1cc(ccc1Br)C 34a_100012361352_100000210202 [0,1,0,0,0,0|2,1,0]=4 6174 B12R1.374 CCOCc1cc(ccc1Br)C 7a_100012361352_100000210202 [0,1,0,0,0,0|2,1,0]=4 6175 B12R1.374 CCOCc1cc(ccc1Br)Cl 34a_100012355668_100000210202 [0,1,0,0,0,0|2,1,0]=4 6176 B12R1.374 CCOCc1cc(ccc1Br)Cl 34a_100121572206_100000733903 [0,1,0,0,0,0|2,1,0]=4 6177 B12R1.374 CCOCc1cc(ccc1Br)Cl 7a_100012355668_100000210202 [0,1,0,0,0,0|2,1,0]=4 6178 B12R1.374 CCOCc1cc(ccc1Br)F 34a_100011217561_100000210202 [0,1,0,0,0,0|2,1,0]=4 6179 B12R1.374 CCOCc1cc(ccc1Br)F 34a_100121572206_100000736370 [0,1,0,0,0,0|2,1,0]=4 6180 B12R1.374 CCOCc1cc(ccc1Br)F 7a_100011217561_100000210202 [0,1,0,0,0,0|2,1,0]=4 6181 B12R1.374 CCOCc1cc(ccc1Br)I 34a_100121572206_100012355412 [0,1,0,0,0,0|2,1,0]=4 6182 B12R1.374 CCOCc1cc(ccc1Br)I 7a_100012359683_100000210202 [0,1,0,0,0,0|2,1,0]=4 6183 B12R1.374 CCOCc1cc(ccc1Br)N 34a_100012347228_100000210202 [0,1,0,0,0,0|2,1,0]=4 6184 B12R1.374 CCOCc1cc(ccc1C)Br 34a_100000700630_100000210202 [0,1,0,0,0,0|3,0,0]=4 6185 B12R1.374 CCOCc1cc(ccc1C)Br 7a_100000700630_100000210202 [0,1,0,0,0,0|3,0,0]=4 6186 B12R1.374 CCOCc1cc(ccc1C)C 34a_100121572206_100000184699 [0,1,0,0,0,0|3,0,0]=4 6187 B12R1.374 CCOCc1cc(ccc1C)C 34a_200011215349_100000210202 [0,1,0,0,0,0|3,0,0]=4 6188 B12R1.374 CCOCc1cc(ccc1C)C 7a_200011215349_100000210202 [0,1,0,0,0,0|3,0,0]=4 6189 B12R1.374 CCOCc1cc(ccc1C)Cl 34a_100012002407_100000210202 [0,1,0,0,0,0|3,0,0]=4 6190 B12R1.374 CCOCc1cc(ccc1C)Cl 34a_100121572206_100012186985 [0,1,0,0,0,0|3,0,0]=4 6191 B12R1.374 CCOCc1cc(ccc1C)Cl 7a_100012002407_100000210202 [0,1,0,0,0,0|3,0,0]=4 6192 B12R1.374 CCOCc1cc(ccc1C)F 34a_100011219218_100000210202 [0,1,0,0,0,0|3,0,0]=4 6193 B12R1.374 CCOCc1cc(ccc1C)F 34a_100121572206_100000709795 [0,1,0,0,0,0|3,0,0]=4 6194 B12R1.374 CCOCc1cc(ccc1C)F 7a_100011219218_100000210202 [0,1,0,0,0,0|3,0,0]=4 6195 B12R1.374 CCOCc1cc(ccc1C)I 34a_100010150140_100000210202 [0,1,0,0,0,0|3,0,0]=4 6196 B12R1.374 CCOCc1cc(ccc1C)I 7a_100010150140_100000210202 [0,1,0,0,0,0|3,0,0]=4 6197 B12R1.374 CCOCc1cc(ccc1Cl)Br 34a_100011215897_100000210202 [0,1,0,0,0,0|2,0,0]=3 6198 B12R1.374 CCOCc1cc(ccc1Cl)Br 34a_100121572206_100000763347 [0,1,0,0,0,0|2,0,0]=3 6199 B12R1.374 CCOCc1cc(ccc1Cl)Br 7a_100011215897_100000210202 [0,1,0,0,0,0|2,0,0]=3 6200 B12R1.374 CCOCc1cc(ccc1Cl)C 34a_100009878994_100000210202 [0,1,0,0,0,0|2,0,0]=3 6201 B12R1.374 CCOCc1cc(ccc1Cl)C 34a_100121572206_100009871730 [0,1,0,0,0,0|2,0,0]=3 6202 B12R1.374 CCOCc1cc(ccc1Cl)C 7a_100009878994_100000210202 [0,1,0,0,0,0|2,0,0]=3 6203 B12R1.374 CCOCc1cc(ccc1Cl)Cl 34a_100000698905_100000210202 [0,1,0,0,0,0|2,0,0]=3 6204 B12R1.374 CCOCc1cc(ccc1Cl)Cl 34a_100121572206_100000756322 [0,1,0,0,0,0|2,0,0]=3 6205 B12R1.374 CCOCc1cc(ccc1Cl)Cl 7a_100000698905_100000210202 [0,1,0,0,0,0|2,0,0]=3 6206 B12R1.374 CCOCc1cc(ccc1Cl)F 34a_100011218361_100000210202 [0,1,0,0,0,0|2,0,0]=3 6207 B12R1.374 CCOCc1cc(ccc1Cl)F 34a_100121572206_100000709952 [0,1,0,0,0,0|2,0,0]=3 6208 B12R1.374 CCOCc1cc(ccc1Cl)F 7a_100011218361_100000210202 [0,1,0,0,0,0|2,0,0]=3 6209 B12R1.374 CCOCc1cc(ccc1Cl)I 34a_100010128486_100000210202 [0,1,0,0,0,0|2,0,0]=3 6210 B12R1.374 CCOCc1cc(ccc1Cl)I 34a_100121572206_100010188191 [0,1,0,0,0,0|2,0,0]=3 6211 B12R1.374 CCOCc1cc(ccc1Cl)I 7a_100010128486_100000210202 [0,1,0,0,0,0|2,0,0]=3 6212 B12R1.374 CCOCc1cc(ccc1Cl)N 34a_100011273577_100000210202 [0,1,0,0,0,0|2,0,0]=3 6213 B12R1.374 CCOCc1cc(ccc1F)Br 34a_100000246282_100000210202 [0,1,0,0,0,0|2,1,0]=4 6214 B12R1.374 CCOCc1cc(ccc1F)Br 34a_100121572206_100000736399 [0,1,0,0,0,0|2,1,0]=4 6215 B12R1.374 CCOCc1cc(ccc1F)Br 7a_100000246282_100000210202 [0,1,0,0,0,0|2,1,0]=4 6216 B12R1.374 CCOCc1cc(ccc1F)C 34a_100011692775_100000210202 [0,1,0,0,0,0|2,1,0]=4 6217 B12R1.374 CCOCc1cc(ccc1F)C 34a_100121572206_100011260760 [0,1,0,0,0,0|2,1,0]=4 6218 B12R1.374 CCOCc1cc(ccc1F)C 7a_100011692775_100000210202 [0,1,0,0,0,0|2,1,0]=4 6219 B12R1.374 CCOCc1cc(ccc1F)Cl 34a_100011217248_100000210202 [0,1,0,0,0,0|2,1,0]=4 6220 B12R1.374 CCOCc1cc(ccc1F)Cl 34a_100121572206_100000716957 [0,1,0,0,0,0|2,1,0]=4 6221 B12R1.374 CCOCc1cc(ccc1F)Cl 7a_100011217248_100000210202 [0,1,0,0,0,0|2,1,0]=4 6222 B12R1.374 CCOCc1cc(ccc1F)F 34a_100011217725_100000210202 [0,1,0,0,0,0|2,1,0]=4 6223 B12R1.374 CCOCc1cc(ccc1F)F 34a_100121572206_100000741279 [0,1,0,0,0,0|2,1,0]=4 6224 B12R1.374 CCOCc1cc(ccc1F)F 7a_100011217725_100000210202 [0,1,0,0,0,0|2,1,0]=4 6225 B12R1.374 CCOCc1cc(ccc1F)I 34a_100000049604_100000210202 [0,1,0,0,0,0|2,1,0]=4 6226 B12R1.374 CCOCc1cc(ccc1F)I 34a_100121572206_200010149601 [0,1,0,0,0,0|2,1,0]=4 6227 B12R1.374 CCOCc1cc(ccc1F)I 7a_100000049604_100000210202 [0,1,0,0,0,0|2,1,0]=4 6228 B12R1.374 CCOCc1cc(ccc1F)N 34a_100011218011_100000210202 [0,1,0,0,0,0|2,1,0]=4 6229 B12R1.374 CCOCc1cc(ccc1I)Br 34a_100011356890_100000210202 [0,1,0,0,0,0|2,1,0]=4 6230 B12R1.374 CCOCc1cc(ccc1I)Br 34a_100121572206_100012362523 [0,1,0,0,0,0|2,1,0]=4 6231 B12R1.374 CCOCc1cc(ccc1I)Br 7a_100011356890_100000210202 [0,1,0,0,0,0|2,1,0]=4 6232 B12R1.374 CCOCc1cc(ccc1I)Cl 34a_100121572206_100012348826 [0,1,0,0,0,0|2,1,0]=4 6233 B12R1.374 CCOCc1cc(ccc1I)F 34a_100010255287_100000210202 [0,1,0,0,0,0|2,1,0]=4 6234 B12R1.374 CCOCc1cc(ccc1I)F 34a_100121572206_100010149606 [0,1,0,0,0,0|2,1,0]=4 6235 B12R1.374 CCOCc1cc(ccc1I)F 7a_100010255287_100000210202 [0,1,0,0,0,0|2,1,0]=4 6236 B12R1.374 CCOCc1cc(ccc1N)Br 34a_100012353972_100000210202 [0,1,0,0,0,0|3,0,0]=4 6237 B12R1.374 CCOCc1cc(ccc1N)Br 7a_100012353972_100000210202 [0,1,0,0,0,0|3,0,0]=4 6238 B12R1.374 CCOCc1cc(ccc1N)C 34a_100011215565_100000210202 [0,1,0,0,0,0|3,0,0]=4 6239 B12R1.374 CCOCc1cc(ccc1N)C 7a_100011215565_100000210202 [0,1,0,0,0,0|3,0,0]=4 6240 B12R1.374 CCOCc1cc(ccc1N)Cl 34a_100011214999_100000210202 [0,1,0,0,0,0|3,0,0]=4 6241 B12R1.374 CCOCc1cc(ccc1N)Cl 7a_100011214999_100000210202 [0,1,0,0,0,0|3,0,0]=4 6242 B12R1.374 CCOCc1cc(ccc1N)F 34a_100011296978_100000210202 [0,1,0,0,0,0|3,0,0]=4 6243 B12R1.374 CCOCc1cc(ccc1N)F 7a_100011296978_100000210202 [0,1,0,0,0,0|3,0,0]=4 6244 B12R1.374 CCOCc1cc(ccc1O)F 34a_100121572206_100010161318 [0,1,0,0,0,0|3,0,0]=4 6245 B12R1.374 CCOCc1cc(cnc1Cl)Br 34a_100000734252_100000210202 [0,1,0,0,0,0|3,0,0]=4 6246 B12R1.374 CCOCc1cc(cnc1Cl)Br 34a_100121572206_100009816982 [0,1,0,0,0,0|3,0,0]=4 6247 B12R1.374 CCOCc1cc(cnc1Cl)Br 7a_100000734252_100000210202 [0,1,0,0,0,0|3,0,0]=4 6248 B12R1.374 CCOCc1cc(cnc1Cl)C 34a_100000118064_100000210202 [0,1,0,0,0,0|3,0,0]=4 6249 B12R1.374 CCOCc1cc(cnc1Cl)C 7a_100000118064_100000210202 [0,1,0,0,0,0|3,0,0]=4 6250 B12R1.374 CCOCc1cc(cnc1Cl)Cl 34a_100000084153_100000210202 [0,1,0,0,0,0|3,0,0]=4 6251 B12R1.374 CCOCc1cc(cnc1Cl)Cl 7a_100000084153_100000210202 [0,1,0,0,0,0|3,0,0]=4 6252 B12R1.374 CCOCc1cc(cnc1Cl)F 34a_100000079972_100000210202 [0,1,0,0,0,0|3,0,0]=4 6253 B12R1.374 CCOCc1cc(cnc1Cl)F 7a_100000079972_100000210202 [0,1,0,0,0,0|3,0,0]=4 6254 B12R1.374 CCOCc1cc(ncc1Cl)Cl 34a_100000081519_100000210202 [0,1,0,0,0,0|3,0,0]=4 6255 B12R1.374 CCOCc1cc(ncc1Cl)Cl 7a_100000081519_100000210202 [0,1,0,0,0,0|3,0,0]=4 6256 B12R1.374 CCOCc1nc(ccc1Cl)C 34a_100121572206_200009852033 [0,1,0,0,0,0|3,0,0]=4 6257 B12R1.374 CCOCc1nc(ccc1Cl)Cl 34a_100000749784_100000210202 [0,1,0,0,0,0|3,0,0]=4 6258 B12R1.374 CCOCc1nc(ccc1Cl)Cl 34a_100121572206_100000059412 [0,1,0,0,0,0|3,0,0]=4 6259 B12R1.374 CCSCc1cc(ccc1Br)Br 62a_100000210202_100011982794 [0,1,0,0,0,0|2,1,0]=4 6260 B12R1.374 CCSCc1cc(ccc1Br)Br 62a_100011982794_100000210202 [0,1,0,0,0,0|2,1,0]=4 6261 B12R1.374 CCSCc1cc(ccc1Br)Cl 62a_100000210202_100000733903 [0,1,0,0,0,0|2,1,0]=4 6262 B12R1.374 CCSCc1cc(ccc1Br)Cl 62a_100000733903_100000210202 [0,1,0,0,0,0|2,1,0]=4 6263 B12R1.374 CCSCc1cc(ccc1Br)F 62a_100000210202_100000736370 [0,1,0,0,0,0|2,1,0]=4 6264 B12R1.374 CCSCc1cc(ccc1Br)F 62a_100000736370_100000210202 [0,1,0,0,0,0|2,1,0]=4 6265 B12R1.374 CCSCc1cc(ccc1Br)I 62a_100000210202_100012355412 [0,1,0,0,0,0|2,1,0]=4 6266 B12R1.374 CCSCc1cc(ccc1Br)I 62a_100012355412_100000210202 [0,1,0,0,0,0|2,1,0]=4 6267 B12R1.374 CCSCc1cc(ccc1C)C 62a_100000184699_100000210202 [0,1,0,0,0,0|3,0,0]=4 6268 B12R1.374 CCSCc1cc(ccc1C)C 62a_100000210202_100000184699 [0,1,0,0,0,0|3,0,0]=4 6269 B12R1.374 CCSCc1cc(ccc1C)Cl 62a_100000210202_100012186985 [0,1,0,0,0,0|3,0,0]=4 6270 B12R1.374 CCSCc1cc(ccc1C)Cl 62a_100012186985_100000210202 [0,1,0,0,0,0|3,0,0]=4 6271 B12R1.374 CCSCc1cc(ccc1C)F 62a_100000210202_100000709795 [0,1,0,0,0,0|3,0,0]=4 6272 B12R1.374 CCSCc1cc(ccc1C)F 62a_100000709795_100000210202 [0,1,0,0,0,0|3,0,0]=4 6273 B12R1.374 CCSCc1cc(ccc1Cl)Br 62a_100000210202_100000763347 [0,1,0,0,0,0|2,0,0]=3 6274 B12R1.374 CCSCc1cc(ccc1Cl)Br 62a_100000763347_100000210202 [0,1,0,0,0,0|2,0,0]=3 6275 B12R1.374 CCSCc1cc(ccc1Cl)C 62a_100000210202_100009871730 [0,1,0,0,0,0|2,0,0]=3 6276 B12R1.374 CCSCc1cc(ccc1Cl)C 62a_100009871730_100000210202 [0,1,0,0,0,0|2,0,0]=3 6277 B12R1.374 CCSCc1cc(ccc1Cl)Cl 62a_100000210202_100000756322 [0,1,0,0,0,0|2,0,0]=3 6278 B12R1.374 CCSCc1cc(ccc1Cl)Cl 62a_100000756322_100000210202 [0,1,0,0,0,0|2,0,0]=3 6279 B12R1.374 CCSCc1cc(ccc1Cl)F 62a_100000210202_100000709952 [0,1,0,0,0,0|2,0,0]=3 6280 B12R1.374 CCSCc1cc(ccc1Cl)F 62a_100000709952_100000210202 [0,1,0,0,0,0|2,0,0]=3 6281 B12R1.374 CCSCc1cc(ccc1Cl)I 62a_100000210202_100010188191 [0,1,0,0,0,0|2,0,0]=3 6282 B12R1.374 CCSCc1cc(ccc1Cl)I 62a_100010188191_100000210202 [0,1,0,0,0,0|2,0,0]=3 6283 B12R1.374 CCSCc1cc(ccc1F)Br 62a_100000210202_100000736399 [0,1,0,0,0,0|2,1,0]=4 6284 B12R1.374 CCSCc1cc(ccc1F)Br 62a_100000736399_100000210202 [0,1,0,0,0,0|2,1,0]=4 6285 B12R1.374 CCSCc1cc(ccc1F)C 62a_100000210202_100011260760 [0,1,0,0,0,0|2,1,0]=4 6286 B12R1.374 CCSCc1cc(ccc1F)C 62a_100011260760_100000210202 [0,1,0,0,0,0|2,1,0]=4 6287 B12R1.374 CCSCc1cc(ccc1F)Cl 62a_100000210202_100000716957 [0,1,0,0,0,0|2,1,0]=4 6288 B12R1.374 CCSCc1cc(ccc1F)Cl 62a_100000716957_100000210202 [0,1,0,0,0,0|2,1,0]=4 6289 B12R1.374 CCSCc1cc(ccc1F)F 62a_100000210202_100000685659 [0,1,0,0,0,0|2,1,0]=4 6290 B12R1.374 CCSCc1cc(ccc1F)F 62a_100000685659_100000210202 [0,1,0,0,0,0|2,1,0]=4 6291 B12R1.374 CCSCc1cc(ccc1F)I 62a_100000210202_200010149601 [0,1,0,0,0,0|2,1,0]=4 6292 B12R1.374 CCSCc1cc(ccc1F)I 62a_200010149601_100000210202 [0,1,0,0,0,0|2,1,0]=4 6293 B12R1.374 CCSCc1cc(ccc1I)Br 62a_100000210202_100012362523 [0,1,0,0,0,0|2,1,0]=4 6294 B12R1.374 CCSCc1cc(ccc1I)Br 62a_100012362523_100000210202 [0,1,0,0,0,0|2,1,0]=4 6295 B12R1.374 CCSCc1cc(ccc1I)Cl 62a_100000210202_100012348826 [0,1,0,0,0,0|2,1,0]=4 6296 B12R1.374 CCSCc1cc(ccc1I)Cl 62a_100012348826_100000210202 [0,1,0,0,0,0|2,1,0]=4 6297 B12R1.374 CCSCc1cc(ccc1I)F 62a_100000210202_100010149606 [0,1,0,0,0,0|2,1,0]=4 6298 B12R1.374 CCSCc1cc(ccc1I)F 62a_100010149606_100000210202 [0,1,0,0,0,0|2,1,0]=4 6299 B12R1.374 CCSCc1cc(ccc1O)F 62a_100000210202_100010161318 [0,1,0,0,0,0|3,0,0]=4 6300 B12R1.374 CCSCc1cc(ccc1O)F 62a_100010161318_100000210202 [0,1,0,0,0,0|3,0,0]=4 6301 B12R1.374 CCSCc1cc(cnc1Cl)Br 62a_100000210202_100009816982 [0,1,0,0,0,0|3,0,0]=4 6302 B12R1.374 CCSCc1cc(cnc1Cl)Br 62a_100009816982_100000210202 [0,1,0,0,0,0|3,0,0]=4 6303 B12R1.374 CCSCc1nc(ccc1Cl)C 62a_100000210202_200009852033 [0,1,0,0,0,0|3,0,0]=4 6304 B12R1.374 CCSCc1nc(ccc1Cl)C 62a_200009852033_100000210202 [0,1,0,0,0,0|3,0,0]=4 6305 B12R1.374 CCSCc1nc(ccc1Cl)Cl 62a_100000059412_100000210202 [0,1,0,0,0,0|3,0,0]=4 6306 B12R1.374 CCSCc1nc(ccc1Cl)Cl 62a_100000210202_100000059412 [0,1,0,0,0,0|3,0,0]=4 6307 B12R1.374 CNCCc1cc(ccc1C)C 2230a_200011485678_200000210301 [0,1,0,0,0,0|1,0,0]=2 6308 B12R1.374 CNCCc1cc(ccc1C)C 34a_200011485678_200000210301 [0,1,0,0,0,0|1,0,0]=2 6309 B12R1.374 CNCCc1cc(ccc1Cl)Cl 2230a_100000705354_200000210301 [0,1,0,0,0,0|0,0,0]=1 6310 B12R1.374 CNCCc1cc(ccc1Cl)Cl 34a_100000705354_200000210301 [0,1,0,0,0,0|0,0,0]=1 6311 B12R1.374 CNCCc1cc(ccc1F)Cl 2230a_200011997525_200000210301 [0,1,0,0,0,0|0,1,0]=2 6312 B12R1.374 CNCCc1cc(ccc1F)Cl 34a_200011997525_200000210301 [0,1,0,0,0,0|0,1,0]=2 6313 B12R1.374 CNCCc1cc(ccc1F)F 2230a_106832991635_100011755056 [0,1,0,0,0,0|0,1,0]=2 6314 B12R1.374 CNCCc1cc(ccc1F)F 34a_100102657272_100011755056 [0,1,0,0,0,0|0,1,0]=2 6315 B12R1.374 CNCCc1cc(ccc1F)F 7a_106832991635_100011755056 [0,1,0,0,0,0|0,1,0]=2 6316 B12R1.374 CNCCn1[nH]c(=O)ccc1=O 2230a_100015186976_200000210301 [0,1,0,0,0,0|3,0,0]=4 6317 B12R1.374 COCCc1cc(ccc1Br)Cl 34a_100012426913_200000210301 [0,1,0,0,0,0|1,1,0]=3 6318 B12R1.374 COCCc1cc(ccc1Br)Cl 7a_100012426913_200000210301 [0,1,0,0,0,0|1,1,0]=3 6319 B12R1.374 COCCc1cc(ccc1C)C 34a_100011694955_200000210301 [0,1,0,0,0,0|2,0,0]=3 6320 B12R1.374 COCCc1cc(ccc1C)C 7a_100011694955_200000210301 [0,1,0,0,0,0|2,0,0]=3 6321 B12R1.374 COCCc1cc(ccc1Cl)Cl 34a_100011754359_200000210301 [0,1,0,0,0,0|1,0,0]=2 6322 B12R1.374 COCCc1cc(ccc1Cl)Cl 7a_100011754359_200000210301 [0,1,0,0,0,0|1,0,0]=2 6323 B12R1.374 COCCc1cc(ccc1F)F 34a_100011755048_200000210301 [0,1,0,0,0,0|1,1,0]=3 6324 B12R1.374 COCCc1cc(ccc1F)F 34a_100138415774_100011755056 [0,1,0,0,0,0|1,1,0]=3 6325 B12R1.374 COCCc1cc(ccc1F)F 7a_100011755048_200000210301 [0,1,0,0,0,0|1,1,0]=3 6326 B12R1.374 COCNc1cc(ccc1C)C 2230a_100000185781_100000766300 [0,1,0,0,0,0|3,0,0]=4 6327 B12R1.374 COCOc1cc(ccc1O)C 271570a_203496583355_200023989289 [0,1,0,0,0,0|3,0,0]=4 6328 B12R1.374 COCOc1cc(ccc1O)F 271570a_203496583355_200012568746 [0,1,0,0,0,0|3,0,0]=4 6329 B12R1.374 COCSc1cc(ccc1Br)Br 62a_100000766300_100011483371 [0,1,0,0,0,0|2,1,0]=4 6330 B12R1.374 COCSc1cc(ccc1Br)Br 62a_100011483371_100000766300 [0,1,0,0,0,0|2,1,0]=4 6331 B12R1.374 COCSc1cc(ccc1Br)C 62a_100000766300_100012353751 [0,1,0,0,0,0|2,1,0]=4 6332 B12R1.374 COCSc1cc(ccc1Br)C 62a_100012353751_100000766300 [0,1,0,0,0,0|2,1,0]=4 6333 B12R1.374 COCSc1cc(ccc1Br)Cl 62a_100000766300_100012339723 [0,1,0,0,0,0|2,1,0]=4 6334 B12R1.374 COCSc1cc(ccc1Br)Cl 62a_100012339723_100000766300 [0,1,0,0,0,0|2,1,0]=4 6335 B12R1.374 COCSc1cc(ccc1Br)F 62a_100000766300_100011217576 [0,1,0,0,0,0|2,1,0]=4 6336 B12R1.374 COCSc1cc(ccc1Br)F 62a_100011217576_100000766300 [0,1,0,0,0,0|2,1,0]=4 6337 B12R1.374 COCSc1cc(ccc1Br)N 62a_100000750459_100000766300 [0,1,0,0,0,0|2,1,0]=4 6338 B12R1.374 COCSc1cc(ccc1Br)N 62a_100000766300_100000750459 [0,1,0,0,0,0|2,1,0]=4 6339 B12R1.374 COCSc1cc(ccc1Br)O 62a_100000766300_100012339312 [0,1,0,0,0,0|2,1,0]=4 6340 B12R1.374 COCSc1cc(ccc1Br)O 62a_100012339312_100000766300 [0,1,0,0,0,0|2,1,0]=4 6341 B12R1.374 COCSc1cc(ccc1C)Br 62a_100000766300_100011344865 [0,1,0,0,0,0|3,0,0]=4 6342 B12R1.374 COCSc1cc(ccc1C)Br 62a_100011344865_100000766300 [0,1,0,0,0,0|3,0,0]=4 6343 B12R1.374 COCSc1cc(ccc1C)C 62a_100000210833_100000766300 [0,1,0,0,0,0|3,0,0]=4 6344 B12R1.374 COCSc1cc(ccc1C)C 62a_100000766300_100000210833 [0,1,0,0,0,0|3,0,0]=4 6345 B12R1.374 COCSc1cc(ccc1C)Cl 62a_100000766300_100011263213 [0,1,0,0,0,0|3,0,0]=4 6346 B12R1.374 COCSc1cc(ccc1C)Cl 62a_100011263213_100000766300 [0,1,0,0,0,0|3,0,0]=4 6347 B12R1.374 COCSc1cc(ccc1C)F 62a_100000766300_100011218078 [0,1,0,0,0,0|3,0,0]=4 6348 B12R1.374 COCSc1cc(ccc1C)F 62a_100011218078_100000766300 [0,1,0,0,0,0|3,0,0]=4 6349 B12R1.374 COCSc1cc(ccc1C)N 62a_100000736455_100000766300 [0,1,0,0,0,0|3,0,0]=4 6350 B12R1.374 COCSc1cc(ccc1C)N 62a_100000766300_100000736455 [0,1,0,0,0,0|3,0,0]=4 6351 B12R1.374 COCSc1cc(ccc1C)O 62a_100000766300_100011380479 [0,1,0,0,0,0|3,0,0]=4 6352 B12R1.374 COCSc1cc(ccc1C)O 62a_100011380479_100000766300 [0,1,0,0,0,0|3,0,0]=4 6353 B12R1.374 COCSc1cc(ccc1Cl)Br 62a_100000766300_100011772130 [0,1,0,0,0,0|2,0,0]=3 6354 B12R1.374 COCSc1cc(ccc1Cl)Br 62a_100011772130_100000766300 [0,1,0,0,0,0|2,0,0]=3 6355 B12R1.374 COCSc1cc(ccc1Cl)C 62a_100000766300_100012356289 [0,1,0,0,0,0|2,0,0]=3 6356 B12R1.374 COCSc1cc(ccc1Cl)C 62a_100012356289_100000766300 [0,1,0,0,0,0|2,0,0]=3 6357 B12R1.374 COCSc1cc(ccc1Cl)Cl 62a_100000707729_100000766300 [0,1,0,0,0,0|2,0,0]=3 6358 B12R1.374 COCSc1cc(ccc1Cl)Cl 62a_100000766300_100000707729 [0,1,0,0,0,0|2,0,0]=3 6359 B12R1.374 COCSc1cc(ccc1Cl)F 62a_100000766300_100011217299 [0,1,0,0,0,0|2,0,0]=3 6360 B12R1.374 COCSc1cc(ccc1Cl)F 62a_100011217299_100000766300 [0,1,0,0,0,0|2,0,0]=3 6361 B12R1.374 COCSc1cc(ccc1Cl)N 62a_100000766300_100012360549 [0,1,0,0,0,0|2,0,0]=3 6362 B12R1.374 COCSc1cc(ccc1Cl)N 62a_100012360549_100000766300 [0,1,0,0,0,0|2,0,0]=3 6363 B12R1.374 COCSc1cc(ccc1Cl)O 62a_100000049588_100000766300 [0,1,0,0,0,0|2,0,0]=3 6364 B12R1.374 COCSc1cc(ccc1Cl)O 62a_100000766300_100000049588 [0,1,0,0,0,0|2,0,0]=3 6365 B12R1.374 COCSc1cc(ccc1F)Br 62a_100000766300_100011217312 [0,1,0,0,0,0|2,1,0]=4 6366 B12R1.374 COCSc1cc(ccc1F)Br 62a_100011217312_100000766300 [0,1,0,0,0,0|2,1,0]=4 6367 B12R1.374 COCSc1cc(ccc1F)C 62a_100000736223_100000766300 [0,1,0,0,0,0|2,1,0]=4 6368 B12R1.374 COCSc1cc(ccc1F)C 62a_100000766300_100000736223 [0,1,0,0,0,0|2,1,0]=4 6369 B12R1.374 COCSc1cc(ccc1F)Cl 62a_100000766300_100011218116 [0,1,0,0,0,0|2,1,0]=4 6370 B12R1.374 COCSc1cc(ccc1F)Cl 62a_100011218116_100000766300 [0,1,0,0,0,0|2,1,0]=4 6371 B12R1.374 COCSc1cc(ccc1F)F 62a_100000766300_100011219198 [0,1,0,0,0,0|2,1,0]=4 6372 B12R1.374 COCSc1cc(ccc1F)F 62a_100011219198_100000766300 [0,1,0,0,0,0|2,1,0]=4 6373 B12R1.374 COCSc1cc(ccc1F)N 62a_100000760356_100000766300 [0,1,0,0,0,0|2,1,0]=4 6374 B12R1.374 COCSc1cc(ccc1F)N 62a_100000766300_100000760356 [0,1,0,0,0,0|2,1,0]=4 6375 B12R1.374 COCSc1cc(ccc1F)O 62a_100000693481_100000766300 [0,1,0,0,0,0|2,1,0]=4 6376 B12R1.374 COCSc1cc(ccc1F)O 62a_100000766300_100000693481 [0,1,0,0,0,0|2,1,0]=4 6377 B12R1.374 COCSc1cc(ccc1N)Br 62a_100000187925_100000766300 [0,1,0,0,0,0|3,0,0]=4 6378 B12R1.374 COCSc1cc(ccc1N)Br 62a_100000766300_100000187925 [0,1,0,0,0,0|3,0,0]=4 6379 B12R1.374 COCSc1cc(ccc1N)C 62a_100000766300_100011356834 [0,1,0,0,0,0|3,0,0]=4 6380 B12R1.374 COCSc1cc(ccc1N)C 62a_100011356834_100000766300 [0,1,0,0,0,0|3,0,0]=4 6381 B12R1.374 COCSc1cc(ccc1N)Cl 62a_100000761889_100000766300 [0,1,0,0,0,0|3,0,0]=4 6382 B12R1.374 COCSc1cc(ccc1N)Cl 62a_100000766300_100000761889 [0,1,0,0,0,0|3,0,0]=4 6383 B12R1.374 COCSc1cc(ccc1N)F 62a_100000760547_100000766300 [0,1,0,0,0,0|3,0,0]=4 6384 B12R1.374 COCSc1cc(ccc1N)F 62a_100000766300_100000760547 [0,1,0,0,0,0|3,0,0]=4 6385 B12R1.374 COCSc1cc(ccc1N)N 62a_100000766300_100011534242 [0,1,0,0,0,0|3,0,0]=4 6386 B12R1.374 COCSc1cc(ccc1N)N 62a_100011534242_100000766300 [0,1,0,0,0,0|3,0,0]=4 6387 B12R1.374 COCSc1cc(ccc1N)O 62a_100000766300_100012001276 [0,1,0,0,0,0|3,0,0]=4 6388 B12R1.374 COCSc1cc(ccc1N)O 62a_100012001276_100000766300 [0,1,0,0,0,0|3,0,0]=4 6389 B12R1.374 COCSc1cc(ccc1O)Br 62a_100000766300_100012355227 [0,1,0,0,0,0|3,0,0]=4 6390 B12R1.374 COCSc1cc(ccc1O)Br 62a_100012355227_100000766300 [0,1,0,0,0,0|3,0,0]=4 6391 B12R1.374 COCSc1cc(ccc1O)C 62a_100000765521_100000766300 [0,1,0,0,0,0|3,0,0]=4 6392 B12R1.374 COCSc1cc(ccc1O)C 62a_100000766300_100000765521 [0,1,0,0,0,0|3,0,0]=4 6393 B12R1.374 COCSc1cc(ccc1O)Cl 62a_100000766300_100011356953 [0,1,0,0,0,0|3,0,0]=4 6394 B12R1.374 COCSc1cc(ccc1O)Cl 62a_100011356953_100000766300 [0,1,0,0,0,0|3,0,0]=4 6395 B12R1.374 COCSc1cc(ccc1O)F 62a_100000211999_100000766300 [0,1,0,0,0,0|3,0,0]=4 6396 B12R1.374 COCSc1cc(ccc1O)F 62a_100000766300_100000211999 [0,1,0,0,0,0|3,0,0]=4 6397 B12R1.374 COCSc1cc(ccc1O)N 62a_100000766300_100011534360 [0,1,0,0,0,0|3,0,0]=4 6398 B12R1.374 COCSc1cc(ccc1O)N 62a_100011534360_100000766300 [0,1,0,0,0,0|3,0,0]=4 6399 B12R1.374 COCSc1cc(ccc1O)O 62a_100000766300_100009813629 [0,1,0,0,0,0|3,0,0]=4 6400 B12R1.374 COCSc1cc(cnc1Cl)Br 62a_100000766300_100009814771 [0,1,0,0,0,0|3,0,0]=4 6401 B12R1.374 COCSc1cc(cnc1Cl)Br 62a_100009814771_100000766300 [0,1,0,0,0,0|3,0,0]=4 6402 B12R1.374 COCSc1cc(cnc1Cl)C 62a_100000766300_100010210167 [0,1,0,0,0,0|3,0,0]=4 6403 B12R1.374 COCSc1cc(cnc1Cl)C 62a_100010210167_100000766300 [0,1,0,0,0,0|3,0,0]=4 6404 B12R1.374 COCSc1cc(cnc1Cl)Cl 62a_100000766300_200000062399 [0,1,0,0,0,0|3,0,0]=4 6405 B12R1.374 COCSc1cc(cnc1Cl)Cl 62a_200000062399_100000766300 [0,1,0,0,0,0|3,0,0]=4 6406 B12R1.374 COCSc1cc(cnc1Cl)N 62a_100000766300_100010253917 [0,1,0,0,0,0|3,0,0]=4 6407 B12R1.374 COCSc1cc(cnc1Cl)N 62a_100010253917_100000766300 [0,1,0,0,0,0|3,0,0]=4 6408 B12R1.374 COCSc1cc(ncc1Cl)Br 62a_100000766300_100010223331 [0,1,0,0,0,0|3,0,0]=4 6409 B12R1.374 COCSc1cc(ncc1Cl)Br 62a_100010223331_100000766300 [0,1,0,0,0,0|3,0,0]=4 6410 B12R1.374 COCSc1cc(ncc1Cl)Cl 62a_100000766300_100010172835 [0,1,0,0,0,0|3,0,0]=4 6411 B12R1.374 COCSc1cc(ncc1Cl)Cl 62a_100010172835_100000766300 [0,1,0,0,0,0|3,0,0]=4 6412 B12R1.374 COCSc1cc(ncc1Cl)F 62a_100000766300_100009892587 [0,1,0,0,0,0|3,0,0]=4 6413 B12R1.374 COCSc1cc(ncc1Cl)F 62a_100009892587_100000766300 [0,1,0,0,0,0|3,0,0]=4 6414 B12R1.374 COCSc1cc(ncc1Cl)N 62a_100000766300_100010134119 [0,1,0,0,0,0|3,0,0]=4 6415 B12R1.374 COCSc1cc(ncc1Cl)N 62a_100010134119_100000766300 [0,1,0,0,0,0|3,0,0]=4 6416 B12R1.374 CSCCc1cc(ccc1F)F 62a_100011755056_200000210301 [0,1,0,0,0,0|1,1,0]=3 6417 B12R1.374 CSCCc1cc(ccc1F)F 62a_200000210301_100011755056 [0,1,0,0,0,0|1,1,0]=3 6418 B12R1.374 CSCNc1cc(ccc1Br)Br 34a_100000737762_100011218213 [0,1,0,0,0,0|2,1,0]=4 6419 B12R1.374 CSCNc1cc(ccc1Br)C 34a_100000745044_100011218213 [0,1,0,0,0,0|2,1,0]=4 6420 B12R1.374 CSCNc1cc(ccc1Br)Cl 34a_100000687073_100011218213 [0,1,0,0,0,0|2,1,0]=4 6421 B12R1.374 CSCNc1cc(ccc1Br)F 34a_100000687223_100011218213 [0,1,0,0,0,0|2,1,0]=4 6422 B12R1.374 CSCNc1cc(ccc1Br)O 34a_100011999798_100011218213 [0,1,0,0,0,0|2,1,0]=4 6423 B12R1.374 CSCNc1cc(ccc1C)Br 34a_100000741167_100011218213 [0,1,0,0,0,0|3,0,0]=4 6424 B12R1.374 CSCNc1cc(ccc1C)C 2230a_100000185781_100011218213 [0,1,0,0,0,0|3,0,0]=4 6425 B12R1.374 CSCNc1cc(ccc1C)C 34a_100000185781_100011218213 [0,1,0,0,0,0|3,0,0]=4 6426 B12R1.374 CSCNc1cc(ccc1C)Cl 34a_100000211374_100011218213 [0,1,0,0,0,0|3,0,0]=4 6427 B12R1.374 CSCNc1cc(ccc1C)F 34a_100000211107_100011218213 [0,1,0,0,0,0|3,0,0]=4 6428 B12R1.374 CSCNc1cc(ccc1C)O 34a_100011216113_100011218213 [0,1,0,0,0,0|3,0,0]=4 6429 B12R1.374 CSCNc1cc(ccc1Cl)Br 34a_100000750497_100011218213 [0,1,0,0,0,0|2,0,0]=3 6430 B12R1.374 CSCNc1cc(ccc1Cl)C 34a_100011215360_100011218213 [0,1,0,0,0,0|2,0,0]=3 6431 B12R1.374 CSCNc1cc(ccc1Cl)Cl 34a_100000184485_100011218213 [0,1,0,0,0,0|2,0,0]=3 6432 B12R1.374 CSCNc1cc(ccc1Cl)F 34a_100000751338_100011218213 [0,1,0,0,0,0|2,0,0]=3 6433 B12R1.374 CSCNc1cc(ccc1Cl)I 34a_200000761891_100011218213 [0,1,0,0,0,0|2,0,0]=3 6434 B12R1.374 CSCNc1cc(ccc1Cl)O 34a_100011934297_100011218213 [0,1,0,0,0,0|2,0,0]=3 6435 B12R1.374 CSCNc1cc(ccc1F)Br 34a_100000740924_100011218213 [0,1,0,0,0,0|2,1,0]=4 6436 B12R1.374 CSCNc1cc(ccc1F)C 34a_100000211285_100011218213 [0,1,0,0,0,0|2,1,0]=4 6437 B12R1.374 CSCNc1cc(ccc1F)Cl 34a_100000212115_100011218213 [0,1,0,0,0,0|2,1,0]=4 6438 B12R1.374 CSCNc1cc(ccc1F)F 34a_100000210742_100011218213 [0,1,0,0,0,0|2,1,0]=4 6439 B12R1.374 CSCNc1cc(ccc1F)I 34a_100011464823_100011218213 [0,1,0,0,0,0|2,1,0]=4 6440 B12R1.374 CSCNc1cc(ccc1F)O 34a_100012017239_100011218213 [0,1,0,0,0,0|2,1,0]=4 6441 B12R1.374 CSCNc1cc(ccc1I)Br 34a_100000743836_100011218213 [0,1,0,0,0,0|2,1,0]=4 6442 B12R1.374 CSCNc1cc(ccc1I)C 34a_100011216686_100011218213 [0,1,0,0,0,0|2,1,0]=4 6443 B12R1.374 CSCNc1cc(ccc1I)Cl 34a_100000761886_100011218213 [0,1,0,0,0,0|2,1,0]=4 6444 B12R1.374 CSCNc1cc(ccc1I)F 34a_100011218093_100011218213 [0,1,0,0,0,0|2,1,0]=4 6445 B12R1.374 CSCNc1cc(ccc1O)Br 34a_100000752626_100011218213 [0,1,0,0,0,0|3,0,0]=4 6446 B12R1.374 CSCNc1cc(ccc1O)C 34a_100011215204_100011218213 [0,1,0,0,0,0|3,0,0]=4 6447 B12R1.374 CSCNc1cc(ccc1O)Cl 34a_100000210500_100011218213 [0,1,0,0,0,0|3,0,0]=4 6448 B12R1.374 CSCNc1cc(ccc1O)F 34a_100000759472_100011218213 [0,1,0,0,0,0|3,0,0]=4 6449 B12R1.374 CSCOc1cc(=O)[nH]cc1Cl 34a_100000069390_100011218213 [0,1,0,0,0,0|3,0,0]=4 6450 B12R1.374 CSCOc1cc(ccc1Br)Br 34a_100011220040_100011218213 [0,1,0,0,0,0|2,1,0]=4 6451 B12R1.374 CSCOc1cc(ccc1Br)C 34a_100012002257_100011218213 [0,1,0,0,0,0|2,1,0]=4 6452 B12R1.374 CSCOc1cc(ccc1Br)Cl 34a_100012339455_100011218213 [0,1,0,0,0,0|2,1,0]=4 6453 B12R1.374 CSCOc1cc(ccc1Br)F 34a_100000690578_100011218213 [0,1,0,0,0,0|2,1,0]=4 6454 B12R1.374 CSCOc1cc(ccc1Br)I 34a_100012356990_100011218213 [0,1,0,0,0,0|2,1,0]=4 6455 B12R1.374 CSCOc1cc(ccc1C)Br 34a_100000685420_100011218213 [0,1,0,0,0,0|3,0,0]=4 6456 B12R1.374 CSCOc1cc(ccc1C)C 34a_100000210931_100011218213 [0,1,0,0,0,0|3,0,0]=4 6457 B12R1.374 CSCOc1cc(ccc1C)Cl 34a_100000756515_100011218213 [0,1,0,0,0,0|3,0,0]=4 6458 B12R1.374 CSCOc1cc(ccc1C)F 34a_100000690566_100011218213 [0,1,0,0,0,0|3,0,0]=4 6459 B12R1.374 CSCOc1cc(ccc1C)N 34a_100000759471_100011218213 [0,1,0,0,0,0|3,0,0]=4 6460 B12R1.374 CSCOc1cc(ccc1Cl)Br 34a_100000738945_100011218213 [0,1,0,0,0,0|2,0,0]=3 6461 B12R1.374 CSCOc1cc(ccc1Cl)C 34a_100000211493_100011218213 [0,1,0,0,0,0|2,0,0]=3 6462 B12R1.374 CSCOc1cc(ccc1Cl)Cl 34a_100000211422_100011218213 [0,1,0,0,0,0|2,0,0]=3 6463 B12R1.374 CSCOc1cc(ccc1Cl)F 34a_100000692107_100011218213 [0,1,0,0,0,0|2,0,0]=3 6464 B12R1.374 CSCOc1cc(ccc1Cl)I 34a_100011356854_100011218213 [0,1,0,0,0,0|2,0,0]=3 6465 B12R1.374 CSCOc1cc(ccc1Cl)N 34a_100011934209_100011218213 [0,1,0,0,0,0|2,0,0]=3 6466 B12R1.374 CSCOc1cc(ccc1F)Br 34a_100000686035_100011218213 [0,1,0,0,0,0|2,1,0]=4 6467 B12R1.374 CSCOc1cc(ccc1F)C 34a_100000759540_100011218213 [0,1,0,0,0,0|2,1,0]=4 6468 B12R1.374 CSCOc1cc(ccc1F)Cl 34a_100000757397_100011218213 [0,1,0,0,0,0|2,1,0]=4 6469 B12R1.374 CSCOc1cc(ccc1F)F 34a_100000752141_100011218213 [0,1,0,0,0,0|2,1,0]=4 6470 B12R1.374 CSCOc1cc(ccc1F)I 34a_100009958187_100011218213 [0,1,0,0,0,0|2,1,0]=4 6471 B12R1.374 CSCOc1cc(ccc1F)N 34a_100012017398_100011218213 [0,1,0,0,0,0|2,1,0]=4 6472 B12R1.374 CSCOc1cc(ccc1I)Br 34a_100012344904_100011218213 [0,1,0,0,0,0|2,1,0]=4 6473 B12R1.374 CSCOc1cc(ccc1I)Cl 34a_100000050036_100011218213 [0,1,0,0,0,0|2,1,0]=4 6474 B12R1.374 CSCOc1cc(ccc1I)F 34a_100010084537_100011218213 [0,1,0,0,0,0|2,1,0]=4 6475 B12R1.374 CSCOc1cc(ccc1N)Br 34a_100000739049_100011218213 [0,1,0,0,0,0|3,0,0]=4 6476 B12R1.374 CSCOc1cc(ccc1N)C 34a_100000211527_100011218213 [0,1,0,0,0,0|3,0,0]=4 6477 B12R1.374 CSCOc1cc(ccc1N)Cl 34a_100000185728_100011218213 [0,1,0,0,0,0|3,0,0]=4 6478 B12R1.374 CSCOc1cc(ccc1N)F 34a_100000753323_100011218213 [0,1,0,0,0,0|3,0,0]=4 6479 B12R1.374 CSCOc1cc(ccc1N)I 34a_100000057187_100011218213 [0,1,0,0,0,0|3,0,0]=4 6480 B12R1.374 CSCOc1cc(ccc1N)N 34a_100025717382_100011218213 [0,1,0,0,0,0|3,0,0]=4 6481 B12R1.374 CSCOc1cc(cnc1Cl)Br 34a_100012354860_100011218213 [0,1,0,0,0,0|3,0,0]=4 6482 B12R1.374 CSCOc1cc(cnc1Cl)C 34a_100012000487_100011218213 [0,1,0,0,0,0|3,0,0]=4 6483 B12R1.374 CSCOc1cc(cnc1Cl)F 34a_100000079967_100011218213 [0,1,0,0,0,0|3,0,0]=4 6484 B12R1.374 CSCOc1cc(ncc1Cl)Br 34a_100010173861_100011218213 [0,1,0,0,0,0|3,0,0]=4 6485 B12R1.374 CSCSc1cc(ccc1Br)Br 62a_100011218213_100011483371 [0,1,0,0,0,0|2,1,0]=4 6486 B12R1.374 CSCSc1cc(ccc1Br)Br 62a_100011483371_100011218213 [0,1,0,0,0,0|2,1,0]=4 6487 B12R1.374 CSCSc1cc(ccc1Br)C 62a_100011218213_100012353751 [0,1,0,0,0,0|2,1,0]=4 6488 B12R1.374 CSCSc1cc(ccc1Br)C 62a_100012353751_100011218213 [0,1,0,0,0,0|2,1,0]=4 6489 B12R1.374 CSCSc1cc(ccc1Br)Cl 62a_100011218213_100012339723 [0,1,0,0,0,0|2,1,0]=4 6490 B12R1.374 CSCSc1cc(ccc1Br)Cl 62a_100012339723_100011218213 [0,1,0,0,0,0|2,1,0]=4 6491 B12R1.374 CSCSc1cc(ccc1Br)F 62a_100011217576_100011218213 [0,1,0,0,0,0|2,1,0]=4 6492 B12R1.374 CSCSc1cc(ccc1Br)F 62a_100011218213_100011217576 [0,1,0,0,0,0|2,1,0]=4 6493 B12R1.374 CSCSc1cc(ccc1Br)N 62a_100000750459_100011218213 [0,1,0,0,0,0|2,1,0]=4 6494 B12R1.374 CSCSc1cc(ccc1Br)N 62a_100011218213_100000750459 [0,1,0,0,0,0|2,1,0]=4 6495 B12R1.374 CSCSc1cc(ccc1Br)O 62a_100011218213_100012339312 [0,1,0,0,0,0|2,1,0]=4 6496 B12R1.374 CSCSc1cc(ccc1Br)O 62a_100012339312_100011218213 [0,1,0,0,0,0|2,1,0]=4 6497 B12R1.374 CSCSc1cc(ccc1C)Br 62a_100011218213_100011344865 [0,1,0,0,0,0|3,0,0]=4 6498 B12R1.374 CSCSc1cc(ccc1C)Br 62a_100011344865_100011218213 [0,1,0,0,0,0|3,0,0]=4 6499 B12R1.374 CSCSc1cc(ccc1C)C 62a_100000210833_100011218213 [0,1,0,0,0,0|3,0,0]=4 6500 B12R1.374 CSCSc1cc(ccc1C)C 62a_100011218213_100000210833 [0,1,0,0,0,0|3,0,0]=4 6501 B12R1.374 CSCSc1cc(ccc1C)Cl 62a_100011218213_100011263213 [0,1,0,0,0,0|3,0,0]=4 6502 B12R1.374 CSCSc1cc(ccc1C)Cl 62a_100011263213_100011218213 [0,1,0,0,0,0|3,0,0]=4 6503 B12R1.374 CSCSc1cc(ccc1C)F 62a_100011218078_100011218213 [0,1,0,0,0,0|3,0,0]=4 6504 B12R1.374 CSCSc1cc(ccc1C)F 62a_100011218213_100011218078 [0,1,0,0,0,0|3,0,0]=4 6505 B12R1.374 CSCSc1cc(ccc1C)N 62a_100000736455_100011218213 [0,1,0,0,0,0|3,0,0]=4 6506 B12R1.374 CSCSc1cc(ccc1C)N 62a_100011218213_100000736455 [0,1,0,0,0,0|3,0,0]=4 6507 B12R1.374 CSCSc1cc(ccc1C)O 62a_100011218213_100011380479 [0,1,0,0,0,0|3,0,0]=4 6508 B12R1.374 CSCSc1cc(ccc1C)O 62a_100011380479_100011218213 [0,1,0,0,0,0|3,0,0]=4 6509 B12R1.374 CSCSc1cc(ccc1Cl)Br 62a_100011218213_100011772130 [0,1,0,0,0,0|2,0,0]=3 6510 B12R1.374 CSCSc1cc(ccc1Cl)Br 62a_100011772130_100011218213 [0,1,0,0,0,0|2,0,0]=3 6511 B12R1.374 CSCSc1cc(ccc1Cl)C 62a_100011218213_100012356289 [0,1,0,0,0,0|2,0,0]=3 6512 B12R1.374 CSCSc1cc(ccc1Cl)C 62a_100012356289_100011218213 [0,1,0,0,0,0|2,0,0]=3 6513 B12R1.374 CSCSc1cc(ccc1Cl)Cl 62a_100000707729_100011218213 [0,1,0,0,0,0|2,0,0]=3 6514 B12R1.374 CSCSc1cc(ccc1Cl)Cl 62a_100011218213_100000707729 [0,1,0,0,0,0|2,0,0]=3 6515 B12R1.374 CSCSc1cc(ccc1Cl)F 62a_100011217299_100011218213 [0,1,0,0,0,0|2,0,0]=3 6516 B12R1.374 CSCSc1cc(ccc1Cl)F 62a_100011218213_100011217299 [0,1,0,0,0,0|2,0,0]=3 6517 B12R1.374 CSCSc1cc(ccc1Cl)N 62a_100011218213_100012360549 [0,1,0,0,0,0|2,0,0]=3 6518 B12R1.374 CSCSc1cc(ccc1Cl)N 62a_100012360549_100011218213 [0,1,0,0,0,0|2,0,0]=3 6519 B12R1.374 CSCSc1cc(ccc1Cl)O 62a_100000049588_100011218213 [0,1,0,0,0,0|2,0,0]=3 6520 B12R1.374 CSCSc1cc(ccc1Cl)O 62a_100011218213_100000049588 [0,1,0,0,0,0|2,0,0]=3 6521 B12R1.374 CSCSc1cc(ccc1F)Br 62a_100011217312_100011218213 [0,1,0,0,0,0|2,1,0]=4 6522 B12R1.374 CSCSc1cc(ccc1F)Br 62a_100011218213_100011217312 [0,1,0,0,0,0|2,1,0]=4 6523 B12R1.374 CSCSc1cc(ccc1F)C 62a_100000736223_100011218213 [0,1,0,0,0,0|2,1,0]=4 6524 B12R1.374 CSCSc1cc(ccc1F)C 62a_100011218213_100000736223 [0,1,0,0,0,0|2,1,0]=4 6525 B12R1.374 CSCSc1cc(ccc1F)Cl 62a_100011218116_100011218213 [0,1,0,0,0,0|2,1,0]=4 6526 B12R1.374 CSCSc1cc(ccc1F)Cl 62a_100011218213_100011218116 [0,1,0,0,0,0|2,1,0]=4 6527 B12R1.374 CSCSc1cc(ccc1F)F 62a_100011218213_100011219198 [0,1,0,0,0,0|2,1,0]=4 6528 B12R1.374 CSCSc1cc(ccc1F)F 62a_100011219198_100011218213 [0,1,0,0,0,0|2,1,0]=4 6529 B12R1.374 CSCSc1cc(ccc1F)N 62a_100000760356_100011218213 [0,1,0,0,0,0|2,1,0]=4 6530 B12R1.374 CSCSc1cc(ccc1F)N 62a_100011218213_100000760356 [0,1,0,0,0,0|2,1,0]=4 6531 B12R1.374 CSCSc1cc(ccc1F)O 62a_100000693481_100011218213 [0,1,0,0,0,0|2,1,0]=4 6532 B12R1.374 CSCSc1cc(ccc1F)O 62a_100011218213_100000693481 [0,1,0,0,0,0|2,1,0]=4 6533 B12R1.374 CSCSc1cc(ccc1N)Br 62a_100000187925_100011218213 [0,1,0,0,0,0|3,0,0]=4 6534 B12R1.374 CSCSc1cc(ccc1N)Br 62a_100011218213_100000187925 [0,1,0,0,0,0|3,0,0]=4 6535 B12R1.374 CSCSc1cc(ccc1N)C 62a_100011218213_100011356834 [0,1,0,0,0,0|3,0,0]=4 6536 B12R1.374 CSCSc1cc(ccc1N)C 62a_100011356834_100011218213 [0,1,0,0,0,0|3,0,0]=4 6537 B12R1.374 CSCSc1cc(ccc1N)Cl 62a_100000761889_100011218213 [0,1,0,0,0,0|3,0,0]=4 6538 B12R1.374 CSCSc1cc(ccc1N)Cl 62a_100011218213_100000761889 [0,1,0,0,0,0|3,0,0]=4 6539 B12R1.374 CSCSc1cc(ccc1N)F 62a_100000760547_100011218213 [0,1,0,0,0,0|3,0,0]=4 6540 B12R1.374 CSCSc1cc(ccc1N)F 62a_100011218213_100000760547 [0,1,0,0,0,0|3,0,0]=4 6541 B12R1.374 CSCSc1cc(ccc1N)N 62a_100011218213_100011534242 [0,1,0,0,0,0|3,0,0]=4 6542 B12R1.374 CSCSc1cc(ccc1N)N 62a_100011534242_100011218213 [0,1,0,0,0,0|3,0,0]=4 6543 B12R1.374 CSCSc1cc(ccc1N)O 62a_100011218213_100012001276 [0,1,0,0,0,0|3,0,0]=4 6544 B12R1.374 CSCSc1cc(ccc1N)O 62a_100012001276_100011218213 [0,1,0,0,0,0|3,0,0]=4 6545 B12R1.374 CSCSc1cc(ccc1O)Br 62a_100011218213_100012355227 [0,1,0,0,0,0|3,0,0]=4 6546 B12R1.374 CSCSc1cc(ccc1O)Br 62a_100012355227_100011218213 [0,1,0,0,0,0|3,0,0]=4 6547 B12R1.374 CSCSc1cc(ccc1O)C 62a_100000765521_100011218213 [0,1,0,0,0,0|3,0,0]=4 6548 B12R1.374 CSCSc1cc(ccc1O)C 62a_100011218213_100000765521 [0,1,0,0,0,0|3,0,0]=4 6549 B12R1.374 CSCSc1cc(ccc1O)Cl 62a_100011218213_100011356953 [0,1,0,0,0,0|3,0,0]=4 6550 B12R1.374 CSCSc1cc(ccc1O)Cl 62a_100011356953_100011218213 [0,1,0,0,0,0|3,0,0]=4 6551 B12R1.374 CSCSc1cc(ccc1O)F 62a_100000211999_100011218213 [0,1,0,0,0,0|3,0,0]=4 6552 B12R1.374 CSCSc1cc(ccc1O)F 62a_100011218213_100000211999 [0,1,0,0,0,0|3,0,0]=4 6553 B12R1.374 CSCSc1cc(ccc1O)N 62a_100011218213_100011534360 [0,1,0,0,0,0|3,0,0]=4 6554 B12R1.374 CSCSc1cc(ccc1O)N 62a_100011534360_100011218213 [0,1,0,0,0,0|3,0,0]=4 6555 B12R1.374 CSCSc1cc(ccc1O)O 62a_100011218213_100009813629 [0,1,0,0,0,0|3,0,0]=4 6556 B12R1.374 CSCSc1cc(cnc1Cl)Br 62a_100009814771_100011218213 [0,1,0,0,0,0|3,0,0]=4 6557 B12R1.374 CSCSc1cc(cnc1Cl)Br 62a_100011218213_100009814771 [0,1,0,0,0,0|3,0,0]=4 6558 B12R1.374 CSCSc1cc(cnc1Cl)C 62a_100010210167_100011218213 [0,1,0,0,0,0|3,0,0]=4 6559 B12R1.374 CSCSc1cc(cnc1Cl)C 62a_100011218213_100010210167 [0,1,0,0,0,0|3,0,0]=4 6560 B12R1.374 CSCSc1cc(cnc1Cl)Cl 62a_100011218213_200000062399 [0,1,0,0,0,0|3,0,0]=4 6561 B12R1.374 CSCSc1cc(cnc1Cl)Cl 62a_200000062399_100011218213 [0,1,0,0,0,0|3,0,0]=4 6562 B12R1.374 CSCSc1cc(cnc1Cl)N 62a_100010253917_100011218213 [0,1,0,0,0,0|3,0,0]=4 6563 B12R1.374 CSCSc1cc(cnc1Cl)N 62a_100011218213_100010253917 [0,1,0,0,0,0|3,0,0]=4 6564 B12R1.374 CSCSc1cc(ncc1Cl)Br 62a_100010223331_100011218213 [0,1,0,0,0,0|3,0,0]=4 6565 B12R1.374 CSCSc1cc(ncc1Cl)Br 62a_100011218213_100010223331 [0,1,0,0,0,0|3,0,0]=4 6566 B12R1.374 CSCSc1cc(ncc1Cl)Cl 62a_100010172835_100011218213 [0,1,0,0,0,0|3,0,0]=4 6567 B12R1.374 CSCSc1cc(ncc1Cl)Cl 62a_100011218213_100010172835 [0,1,0,0,0,0|3,0,0]=4 6568 B12R1.374 CSCSc1cc(ncc1Cl)F 62a_100009892587_100011218213 [0,1,0,0,0,0|3,0,0]=4 6569 B12R1.374 CSCSc1cc(ncc1Cl)F 62a_100011218213_100009892587 [0,1,0,0,0,0|3,0,0]=4 6570 B12R1.374 CSCSc1cc(ncc1Cl)N 62a_100010134119_100011218213 [0,1,0,0,0,0|3,0,0]=4 6571 B12R1.374 CSCSc1cc(ncc1Cl)N 62a_100011218213_100010134119 [0,1,0,0,0,0|3,0,0]=4 6572 B12R1.374 Cc1ccc(c(c1)CCN[13CH3])C 2230a_200011485678_200025704644 [0,1,0,0,0,0|1,0,0]=2 6573 B12R1.374 Cc1ccc(c(c1)CCN[13CH3])C 34a_200011485678_200025704644 [0,1,0,0,0,0|1,0,0]=2 6574 B12R1.374 Cc1ccc(c(c1)CCO[13CH3])C 34a_100011694955_200025704644 [0,1,0,0,0,0|2,0,0]=3 6575 B12R1.374 Cc1ccc(c(c1)CCO[13CH3])C 7a_100011694955_200025704644 [0,1,0,0,0,0|2,0,0]=3 6576 B12R1.374 Cc1ccc(c(c1)CNCF)Cl 34a_100025705715_100015361967 [0,1,0,0,0,0|3,0,0]=4 6577 B12R1.374 Cc1ccc(c(c1)COCF)Cl 34a_100009878994_100015361967 [0,1,0,0,0,0|3,0,0]=4 6578 B12R1.374 Cc1ccc(c(c1)COCF)Cl 7a_100009878994_100015361967 [0,1,0,0,0,0|3,0,0]=4 6579 B12R1.374 Cc1ccc(c(c1)CSCF)Cl 62a_100009871730_100015361967 [0,1,0,0,0,0|3,0,0]=4 6580 B12R1.374 Cc1ccc(c(c1)CSCF)Cl 62a_100015361967_100009871730 [0,1,0,0,0,0|3,0,0]=4 6581 B12R1.374 Cc1ccc(c(c1)NCC=O)Cl 34a_100011215360_200009817547 [0,1,0,0,0,0|3,0,0]=4 6582 B12R1.374 Cc1ccc(c(c1)NCCF)Cl 34a_100011215360_100011217306 [0,1,0,0,0,0|3,0,0]=4 6583 B12R1.374 Cc1ccc(c(c1)NCCO)Cl 34a_100011215360_100000211926 [0,1,0,0,0,0|3,0,0]=4 6584 B12R1.374 Cc1ccc(c(c1)OCC#N)Cl 7a_100000211493_100011215382 [0,1,0,0,0,0|3,0,0]=4 6585 B12R1.374 Cc1ccc(c(c1)OCC=O)Cl 34a_100000211493_200009817547 [0,1,0,0,0,0|3,0,0]=4 6586 B12R1.374 Cc1ccc(c(c1)OCC=O)Cl 7a_100000211493_200015260668 [0,1,0,0,0,0|3,0,0]=4 6587 B12R1.374 Cc1ccc(c(c1)OCCF)Cl 34a_100000211493_100011217306 [0,1,0,0,0,0|3,0,0]=4 6588 B12R1.374 Cc1ccc(c(c1)OCCF)Cl 7a_100000211493_100011217306 [0,1,0,0,0,0|3,0,0]=4 6589 B12R1.374 Cc1ccc(c(c1)OCCO)Cl 34a_100000211493_100000211926 [0,1,0,0,0,0|3,0,0]=4 6590 B12R1.374 Cc1ccc(c(c1)OCCO)Cl 7a_100000211493_100000211926 [0,1,0,0,0,0|3,0,0]=4 6591 B12R1.374 Cc1ccc(c(c1)SCC#N)Cl 62a_100011215382_100012356289 [0,1,0,0,0,0|3,0,0]=4 6592 B12R1.374 Cc1ccc(c(c1)SCC#N)Cl 62a_100012356289_100011215382 [0,1,0,0,0,0|3,0,0]=4 6593 B12R1.374 Cc1ccc(c(c1)SCC=O)Cl 62a_100012356289_200015260668 [0,1,0,0,0,0|3,0,0]=4 6594 B12R1.374 Cc1ccc(c(c1)SCC=O)Cl 62a_200015260668_100012356289 [0,1,0,0,0,0|3,0,0]=4 6595 B12R1.374 Cc1ccc(c(c1)SCCF)Cl 62a_100011217306_100012356289 [0,1,0,0,0,0|3,0,0]=4 6596 B12R1.374 Cc1ccc(c(c1)SCCF)Cl 62a_100012356289_100011217306 [0,1,0,0,0,0|3,0,0]=4 6597 B12R1.374 Cc1ccc(c(c1)SCCO)Cl 62a_100000211926_100012356289 [0,1,0,0,0,0|3,0,0]=4 6598 B12R1.374 Cc1ccc(c(c1)SCCO)Cl 62a_100012356289_100000211926 [0,1,0,0,0,0|3,0,0]=4 6599 B12R1.374 FCCNc1cc(ccc1Cl)Br 34a_100000750497_100011217306 [0,1,0,0,0,0|3,0,0]=4 6600 B12R1.374 FCCNc1cc(ccc1Cl)Cl 34a_100000184485_100011217306 [0,1,0,0,0,0|3,0,0]=4 6601 B12R1.374 FCCNc1cc(ccc1Cl)F 34a_100000751338_100011217306 [0,1,0,0,0,0|3,0,0]=4 6602 B12R1.374 FCCNc1cc(ccc1Cl)I 34a_200000761891_100011217306 [0,1,0,0,0,0|3,0,0]=4 6603 B12R1.374 FCCOc1cc(ccc1Cl)Br 34a_100000738945_100011217306 [0,1,0,0,0,0|3,0,0]=4 6604 B12R1.374 FCCOc1cc(ccc1Cl)Br 7a_100000738945_100011217306 [0,1,0,0,0,0|3,0,0]=4 6605 B12R1.374 FCCOc1cc(ccc1Cl)Cl 34a_100000211422_100011217306 [0,1,0,0,0,0|3,0,0]=4 6606 B12R1.374 FCCOc1cc(ccc1Cl)Cl 7a_100000211422_100011217306 [0,1,0,0,0,0|3,0,0]=4 6607 B12R1.374 FCCOc1cc(ccc1Cl)F 34a_100000692107_100011217306 [0,1,0,0,0,0|3,0,0]=4 6608 B12R1.374 FCCOc1cc(ccc1Cl)F 7a_100000692107_100011217306 [0,1,0,0,0,0|3,0,0]=4 6609 B12R1.374 FCCOc1cc(ccc1Cl)I 34a_100011356854_100011217306 [0,1,0,0,0,0|3,0,0]=4 6610 B12R1.374 FCCOc1cc(ccc1Cl)I 7a_100011356854_100011217306 [0,1,0,0,0,0|3,0,0]=4 6611 B12R1.374 FCCSc1cc(ccc1Cl)Br 62a_100011217306_100011772130 [0,1,0,0,0,0|3,0,0]=4 6612 B12R1.374 FCCSc1cc(ccc1Cl)Br 62a_100011772130_100011217306 [0,1,0,0,0,0|3,0,0]=4 6613 B12R1.374 FCCSc1cc(ccc1Cl)Cl 62a_100000707729_100011217306 [0,1,0,0,0,0|3,0,0]=4 6614 B12R1.374 FCCSc1cc(ccc1Cl)Cl 62a_100011217306_100000707729 [0,1,0,0,0,0|3,0,0]=4 6615 B12R1.374 FCCSc1cc(ccc1Cl)F 62a_100011217299_100011217306 [0,1,0,0,0,0|3,0,0]=4 6616 B12R1.374 FCCSc1cc(ccc1Cl)F 62a_100011217306_100011217299 [0,1,0,0,0,0|3,0,0]=4 6617 B12R1.374 FCNCc1cc(ccc1Cl)Br 34a_100025772652_100015361967 [0,1,0,0,0,0|3,0,0]=4 6618 B12R1.374 FCNCc1cc(ccc1Cl)Cl 34a_100102946428_100015361967 [0,1,0,0,0,0|3,0,0]=4 6619 B12R1.374 FCNCc1cc(ccc1Cl)F 34a_100011830483_100015361967 [0,1,0,0,0,0|3,0,0]=4 6620 B12R1.374 FCOCc1cc(ccc1Cl)Br 34a_100011215897_100015361967 [0,1,0,0,0,0|3,0,0]=4 6621 B12R1.374 FCOCc1cc(ccc1Cl)Br 7a_100011215897_100015361967 [0,1,0,0,0,0|3,0,0]=4 6622 B12R1.374 FCOCc1cc(ccc1Cl)Cl 34a_100000698905_100015361967 [0,1,0,0,0,0|3,0,0]=4 6623 B12R1.374 FCOCc1cc(ccc1Cl)Cl 7a_100000698905_100015361967 [0,1,0,0,0,0|3,0,0]=4 6624 B12R1.374 FCOCc1cc(ccc1Cl)F 34a_100011218361_100015361967 [0,1,0,0,0,0|3,0,0]=4 6625 B12R1.374 FCOCc1cc(ccc1Cl)F 7a_100011218361_100015361967 [0,1,0,0,0,0|3,0,0]=4 6626 B12R1.374 FCOCc1cc(ccc1Cl)I 34a_100010128486_100015361967 [0,1,0,0,0,0|3,0,0]=4 6627 B12R1.374 FCOCc1cc(ccc1Cl)I 7a_100010128486_100015361967 [0,1,0,0,0,0|3,0,0]=4 6628 B12R1.374 FCSCc1cc(ccc1Cl)Br 62a_100000763347_100015361967 [0,1,0,0,0,0|3,0,0]=4 6629 B12R1.374 FCSCc1cc(ccc1Cl)Br 62a_100015361967_100000763347 [0,1,0,0,0,0|3,0,0]=4 6630 B12R1.374 FCSCc1cc(ccc1Cl)Cl 62a_100000756322_100015361967 [0,1,0,0,0,0|3,0,0]=4 6631 B12R1.374 FCSCc1cc(ccc1Cl)Cl 62a_100015361967_100000756322 [0,1,0,0,0,0|3,0,0]=4 6632 B12R1.374 FCSCc1cc(ccc1Cl)F 62a_100000709952_100015361967 [0,1,0,0,0,0|3,0,0]=4 6633 B12R1.374 FCSCc1cc(ccc1Cl)F 62a_100015361967_100000709952 [0,1,0,0,0,0|3,0,0]=4 6634 B12R1.374 FCSCc1cc(ccc1Cl)I 62a_100010188191_100015361967 [0,1,0,0,0,0|3,0,0]=4 6635 B12R1.374 FCSCc1cc(ccc1Cl)I 62a_100015361967_100010188191 [0,1,0,0,0,0|3,0,0]=4 6636 B12R1.374 N#CCOc1cc(ccc1Cl)Br 7a_100000738945_100011215382 [0,1,0,0,0,0|3,0,0]=4 6637 B12R1.374 N#CCOc1cc(ccc1Cl)Cl 7a_100000211422_100011215382 [0,1,0,0,0,0|3,0,0]=4 6638 B12R1.374 N#CCOc1cc(ccc1Cl)F 7a_100000692107_100011215382 [0,1,0,0,0,0|3,0,0]=4 6639 B12R1.374 N#CCOc1cc(ccc1Cl)I 7a_100011356854_100011215382 [0,1,0,0,0,0|3,0,0]=4 6640 B12R1.374 N#CCSc1cc(ccc1Cl)Br 62a_100011215382_100011772130 [0,1,0,0,0,0|3,0,0]=4 6641 B12R1.374 N#CCSc1cc(ccc1Cl)Br 62a_100011772130_100011215382 [0,1,0,0,0,0|3,0,0]=4 6642 B12R1.374 N#CCSc1cc(ccc1Cl)Cl 62a_100000707729_100011215382 [0,1,0,0,0,0|3,0,0]=4 6643 B12R1.374 N#CCSc1cc(ccc1Cl)Cl 62a_100011215382_100000707729 [0,1,0,0,0,0|3,0,0]=4 6644 B12R1.374 N#CCSc1cc(ccc1Cl)F 62a_100011215382_100011217299 [0,1,0,0,0,0|3,0,0]=4 6645 B12R1.374 N#CCSc1cc(ccc1Cl)F 62a_100011217299_100011215382 [0,1,0,0,0,0|3,0,0]=4 6646 B12R1.374 N#CCSc1cc(ccc1Cl)N 62a_100011215382_100012360549 [0,1,0,0,0,0|3,0,0]=4 6647 B12R1.374 N#CCSc1cc(ccc1Cl)N 62a_100012360549_100011215382 [0,1,0,0,0,0|3,0,0]=4 6648 B12R1.374 N#CCSc1cc(ccc1Cl)O 62a_100000049588_100011215382 [0,1,0,0,0,0|3,0,0]=4 6649 B12R1.374 N#CCSc1cc(ccc1Cl)O 62a_100011215382_100000049588 [0,1,0,0,0,0|3,0,0]=4 6650 B12R1.374 Nc1ccc(c(c1)COCF)Cl 34a_100011273577_100015361967 [0,1,0,0,0,0|3,0,0]=4 6651 B12R1.374 Nc1ccc(c(c1)OCC=O)Cl 34a_100011934209_200009817547 [0,1,0,0,0,0|3,0,0]=4 6652 B12R1.374 Nc1ccc(c(c1)OCCF)Cl 34a_100011934209_100011217306 [0,1,0,0,0,0|3,0,0]=4 6653 B12R1.374 Nc1ccc(c(c1)OCCO)Cl 34a_100011934209_100000211926 [0,1,0,0,0,0|3,0,0]=4 6654 B12R1.374 Nc1ccc(c(c1)SCC=O)Cl 62a_100012360549_200015260668 [0,1,0,0,0,0|3,0,0]=4 6655 B12R1.374 Nc1ccc(c(c1)SCC=O)Cl 62a_200015260668_100012360549 [0,1,0,0,0,0|3,0,0]=4 6656 B12R1.374 Nc1ccc(c(c1)SCCF)Cl 62a_100011217306_100012360549 [0,1,0,0,0,0|3,0,0]=4 6657 B12R1.374 Nc1ccc(c(c1)SCCF)Cl 62a_100012360549_100011217306 [0,1,0,0,0,0|3,0,0]=4 6658 B12R1.374 Nc1ccc(c(c1)SCCO)Cl 62a_100000211926_100012360549 [0,1,0,0,0,0|3,0,0]=4 6659 B12R1.374 Nc1ccc(c(c1)SCCO)Cl 62a_100012360549_100000211926 [0,1,0,0,0,0|3,0,0]=4 6660 B12R1.374 O=CCNc1cc(ccc1Cl)Br 34a_100000750497_200009817547 [0,1,0,0,0,0|3,0,0]=4 6661 B12R1.374 O=CCNc1cc(ccc1Cl)Cl 34a_100000184485_200009817547 [0,1,0,0,0,0|3,0,0]=4 6662 B12R1.374 O=CCNc1cc(ccc1Cl)F 34a_100000751338_200009817547 [0,1,0,0,0,0|3,0,0]=4 6663 B12R1.374 O=CCNc1cc(ccc1Cl)I 34a_200000761891_200009817547 [0,1,0,0,0,0|3,0,0]=4 6664 B12R1.374 O=CCNc1cc(ccc1Cl)O 34a_100011934297_200009817547 [0,1,0,0,0,0|3,0,0]=4 6665 B12R1.374 O=CCOc1cc(ccc1Cl)Br 34a_100000738945_200009817547 [0,1,0,0,0,0|3,0,0]=4 6666 B12R1.374 O=CCOc1cc(ccc1Cl)Br 7a_100000738945_200015260668 [0,1,0,0,0,0|3,0,0]=4 6667 B12R1.374 O=CCOc1cc(ccc1Cl)Cl 34a_100000211422_200009817547 [0,1,0,0,0,0|3,0,0]=4 6668 B12R1.374 O=CCOc1cc(ccc1Cl)Cl 7a_100000211422_200015260668 [0,1,0,0,0,0|3,0,0]=4 6669 B12R1.374 O=CCOc1cc(ccc1Cl)F 34a_100000692107_200009817547 [0,1,0,0,0,0|3,0,0]=4 6670 B12R1.374 O=CCOc1cc(ccc1Cl)F 7a_100000692107_200015260668 [0,1,0,0,0,0|3,0,0]=4 6671 B12R1.374 O=CCOc1cc(ccc1Cl)I 34a_100011356854_200009817547 [0,1,0,0,0,0|3,0,0]=4 6672 B12R1.374 O=CCOc1cc(ccc1Cl)I 7a_100011356854_200015260668 [0,1,0,0,0,0|3,0,0]=4 6673 B12R1.374 O=CCSc1cc(ccc1Cl)Br 62a_100011772130_200015260668 [0,1,0,0,0,0|3,0,0]=4 6674 B12R1.374 O=CCSc1cc(ccc1Cl)Br 62a_200015260668_100011772130 [0,1,0,0,0,0|3,0,0]=4 6675 B12R1.374 O=CCSc1cc(ccc1Cl)Cl 62a_100000707729_200015260668 [0,1,0,0,0,0|3,0,0]=4 6676 B12R1.374 O=CCSc1cc(ccc1Cl)Cl 62a_200015260668_100000707729 [0,1,0,0,0,0|3,0,0]=4 6677 B12R1.374 O=CCSc1cc(ccc1Cl)F 62a_100011217299_200015260668 [0,1,0,0,0,0|3,0,0]=4 6678 B12R1.374 O=CCSc1cc(ccc1Cl)F 62a_200015260668_100011217299 [0,1,0,0,0,0|3,0,0]=4 6679 B12R1.374 O=CCSc1cc(ccc1Cl)O 62a_100000049588_200015260668 [0,1,0,0,0,0|3,0,0]=4 6680 B12R1.374 O=CCSc1cc(ccc1Cl)O 62a_200015260668_100000049588 [0,1,0,0,0,0|3,0,0]=4 6681 B12R1.374 OCCNc1cc(ccc1Cl)Br 34a_100000750497_100000211926 [0,1,0,0,0,0|3,0,0]=4 6682 B12R1.374 OCCNc1cc(ccc1Cl)Cl 34a_100000184485_100000211926 [0,1,0,0,0,0|3,0,0]=4 6683 B12R1.374 OCCNc1cc(ccc1Cl)F 34a_100000751338_100000211926 [0,1,0,0,0,0|3,0,0]=4 6684 B12R1.374 OCCNc1cc(ccc1Cl)I 34a_200000761891_100000211926 [0,1,0,0,0,0|3,0,0]=4 6685 B12R1.374 OCCNc1cc(ccc1Cl)O 34a_100011934297_100000211926 [0,1,0,0,0,0|3,0,0]=4 6686 B12R1.374 OCCOc1cc(ccc1Cl)Br 34a_100000738945_100000211926 [0,1,0,0,0,0|3,0,0]=4 6687 B12R1.374 OCCOc1cc(ccc1Cl)Br 7a_100000738945_100000211926 [0,1,0,0,0,0|3,0,0]=4 6688 B12R1.374 OCCOc1cc(ccc1Cl)Cl 34a_100000211422_100000211926 [0,1,0,0,0,0|3,0,0]=4 6689 B12R1.374 OCCOc1cc(ccc1Cl)Cl 7a_100000211422_100000211926 [0,1,0,0,0,0|3,0,0]=4 6690 B12R1.374 OCCOc1cc(ccc1Cl)F 34a_100000692107_100000211926 [0,1,0,0,0,0|3,0,0]=4 6691 B12R1.374 OCCOc1cc(ccc1Cl)F 7a_100000692107_100000211926 [0,1,0,0,0,0|3,0,0]=4 6692 B12R1.374 OCCOc1cc(ccc1Cl)I 34a_100011356854_100000211926 [0,1,0,0,0,0|3,0,0]=4 6693 B12R1.374 OCCOc1cc(ccc1Cl)I 7a_100011356854_100000211926 [0,1,0,0,0,0|3,0,0]=4 6694 B12R1.374 OCCSc1cc(ccc1Cl)Br 62a_100000211926_100011772130 [0,1,0,0,0,0|3,0,0]=4 6695 B12R1.374 OCCSc1cc(ccc1Cl)Br 62a_100011772130_100000211926 [0,1,0,0,0,0|3,0,0]=4 6696 B12R1.374 OCCSc1cc(ccc1Cl)Cl 62a_100000211926_100000707729 [0,1,0,0,0,0|3,0,0]=4 6697 B12R1.374 OCCSc1cc(ccc1Cl)Cl 62a_100000707729_100000211926 [0,1,0,0,0,0|3,0,0]=4 6698 B12R1.374 OCCSc1cc(ccc1Cl)F 62a_100000211926_100011217299 [0,1,0,0,0,0|3,0,0]=4 6699 B12R1.374 OCCSc1cc(ccc1Cl)F 62a_100011217299_100000211926 [0,1,0,0,0,0|3,0,0]=4 6700 B12R1.374 OCCSc1cc(ccc1Cl)O 62a_100000049588_100000211926 [0,1,0,0,0,0|3,0,0]=4 6701 B12R1.374 OCCSc1cc(ccc1Cl)O 62a_100000211926_100000049588 [0,1,0,0,0,0|3,0,0]=4 6702 B12R1.374 Oc1ccc(c(c1)NCCF)Cl 34a_100011934297_100011217306 [0,1,0,0,0,0|3,0,0]=4 6703 B12R1.374 Oc1ccc(c(c1)SCCF)Cl 62a_100000049588_100011217306 [0,1,0,0,0,0|3,0,0]=4 6704 B12R1.374 Oc1ccc(c(c1)SCCF)Cl 62a_100011217306_100000049588 [0,1,0,0,0,0|3,0,0]=4 6705 B12R1.374 [13CH3]NCCc1cc(ccc1Cl)Cl 2230a_100000705354_200025704644 [0,1,0,0,0,0|0,0,0]=1 6706 B12R1.374 [13CH3]NCCc1cc(ccc1Cl)Cl 34a_100000705354_200025704644 [0,1,0,0,0,0|0,0,0]=1 6707 B12R1.374 [13CH3]NCCc1cc(ccc1F)Cl 2230a_200011997525_200025704644 [0,1,0,0,0,0|0,1,0]=2 6708 B12R1.374 [13CH3]NCCc1cc(ccc1F)Cl 34a_200011997525_200025704644 [0,1,0,0,0,0|0,1,0]=2 6709 B12R1.374 [13CH3]NCCn1[nH]c(=O)ccc1=O 2230a_100015186976_200025704644 [0,1,0,0,0,0|3,0,0]=4 6710 B12R1.374 [13CH3]OCCc1cc(ccc1Br)Cl 34a_100012426913_200025704644 [0,1,0,0,0,0|1,1,0]=3 6711 B12R1.374 [13CH3]OCCc1cc(ccc1Br)Cl 7a_100012426913_200025704644 [0,1,0,0,0,0|1,1,0]=3 6712 B12R1.374 [13CH3]OCCc1cc(ccc1Cl)Cl 34a_100011754359_200025704644 [0,1,0,0,0,0|1,0,0]=2 6713 B12R1.374 [13CH3]OCCc1cc(ccc1Cl)Cl 7a_100011754359_200025704644 [0,1,0,0,0,0|1,0,0]=2 6714 B12R1.374 [13CH3]OCCc1cc(ccc1F)F 34a_100011755048_200025704644 [0,1,0,0,0,0|1,1,0]=3 6715 B12R1.374 [13CH3]OCCc1cc(ccc1F)F 7a_100011755048_200025704644 [0,1,0,0,0,0|1,1,0]=3 6716 B12R1.374 [13CH3]SCCc1cc(ccc1F)F 62a_100011755056_200025704644 [0,1,0,0,0,0|1,1,0]=3 6717 B12R1.374 [13CH3]SCCc1cc(ccc1F)F 62a_200025704644_100011755056 [0,1,0,0,0,0|1,1,0]=3 6718 B12R1.1631 C#CCNc1c(cccc1Br)Cl 34a_100102946385_100000184674 [0,1,0,0,0,0|2,0,1]=4 6719 B12R1.1631 C#CCNc1c(cccc1Cl)C 34a_100000756524_100000184674 [0,1,0,0,0,0|2,0,1]=4 6720 B12R1.1631 C#CCNc1c(cccc1Cl)Cl 34a_100000210028_100000184674 [0,1,0,0,0,0|2,0,1]=4 6721 B12R1.1631 C#CCNc1c(cccc1Cl)F 34a_100000760031_100000184674 [0,1,0,0,0,0|2,0,1]=4 6722 B12R1.1631 C#CCNc1c(cccc1Cl)O 34a_100012022510_100000184674 [0,1,0,0,0,0|2,0,1]=4 6723 B12R1.1631 C#CCOc1c(cccc1Br)Cl 34a_100010214474_100000184674 [0,1,0,0,0,0|2,0,1]=4 6724 B12R1.1631 C#CCOc1c(cccc1Br)Cl 7a_100010214474_100000038162 [0,1,0,0,0,0|2,0,1]=4 6725 B12R1.1631 C#CCOc1c(cccc1Cl)C 34a_100000033731_100000184674 [0,1,0,0,0,0|2,0,1]=4 6726 B12R1.1631 C#CCOc1c(cccc1Cl)C 7a_100000033731_100000038162 [0,1,0,0,0,0|2,0,1]=4 6727 B12R1.1631 C#CCOc1c(cccc1Cl)Cl 34a_100000211709_100000184674 [0,1,0,0,0,0|2,0,1]=4 6728 B12R1.1631 C#CCOc1c(cccc1Cl)Cl 7a_100000211709_100000038162 [0,1,0,0,0,0|2,0,1]=4 6729 B12R1.1631 C#CCOc1c(cccc1Cl)F 34a_100000694953_100000184674 [0,1,0,0,0,0|2,0,1]=4 6730 B12R1.1631 C#CCOc1c(cccc1Cl)F 7a_100000694953_100000038162 [0,1,0,0,0,0|2,0,1]=4 6731 B12R1.1631 C#CCOc1c(cccc1Cl)N 34a_100000754742_100000184674 [0,1,0,0,0,0|2,0,1]=4 6732 B12R1.1631 C#CCOc1c(cccc1I)Cl 34a_100010202889_100000184674 [0,1,0,0,0,0|2,0,1]=4 6733 B12R1.1631 C#CCOc1c(cccc1I)Cl 7a_100010202889_100000038162 [0,1,0,0,0,0|2,0,1]=4 6734 B12R1.1631 C#CCSc1c(cccc1Br)Cl 62a_100000038162_100010214488 [0,1,0,0,0,0|2,0,1]=4 6735 B12R1.1631 C#CCSc1c(cccc1Cl)C 62a_100000038162_100000043165 [0,1,0,0,0,0|2,0,1]=4 6736 B12R1.1631 C#CCSc1c(cccc1Cl)Cl 62a_100000038162_100000034237 [0,1,0,0,0,0|2,0,1]=4 6737 B12R1.1631 C#CCSc1c(cccc1Cl)F 62a_100000038162_100000050007 [0,1,0,0,0,0|2,0,1]=4 6738 B12R1.1631 C#CCSc1c(cccc1Cl)N 62a_100000038162_100000049713 [0,1,0,0,0,0|2,0,1]=4 6739 B12R1.1631 C#CCSc1c(cccc1Cl)O 62a_100000038162_100000050174 [0,1,0,0,0,0|2,0,1]=4 6740 B12R1.1631 C=CCNc1c(cccc1Br)Cl 34a_100102946385_100015514636 [0,1,0,0,0,0|2,0,1]=4 6741 B12R1.1631 C=CCNc1c(cccc1Cl)C 34a_100000756524_100015514636 [0,1,0,0,0,0|2,0,1]=4 6742 B12R1.1631 C=CCNc1c(cccc1Cl)Cl 34a_100000210028_100015514636 [0,1,0,0,0,0|2,0,1]=4 6743 B12R1.1631 C=CCNc1c(cccc1Cl)F 34a_100000760031_100015514636 [0,1,0,0,0,0|2,0,1]=4 6744 B12R1.1631 C=CCNc1c(cccc1Cl)O 34a_100012022510_100015514636 [0,1,0,0,0,0|2,0,1]=4 6745 B12R1.1631 C=CCOc1c(cccc1Br)Cl 34a_100010214474_100015514636 [0,1,0,0,0,0|2,0,1]=4 6746 B12R1.1631 C=CCOc1c(cccc1Br)Cl 7a_100010214474_100015514636 [0,1,0,0,0,0|2,0,1]=4 6747 B12R1.1631 C=CCOc1c(cccc1Cl)C 34a_100000033731_100015514636 [0,1,0,0,0,0|2,0,1]=4 6748 B12R1.1631 C=CCOc1c(cccc1Cl)C 7a_100000033731_100015514636 [0,1,0,0,0,0|2,0,1]=4 6749 B12R1.1631 C=CCOc1c(cccc1Cl)Cl 34a_100000211709_100015514636 [0,1,0,0,0,0|2,0,1]=4 6750 B12R1.1631 C=CCOc1c(cccc1Cl)Cl 7a_100000211709_100015514636 [0,1,0,0,0,0|2,0,1]=4 6751 B12R1.1631 C=CCOc1c(cccc1Cl)F 34a_100000694953_100015514636 [0,1,0,0,0,0|2,0,1]=4 6752 B12R1.1631 C=CCOc1c(cccc1Cl)F 7a_100000694953_100015514636 [0,1,0,0,0,0|2,0,1]=4 6753 B12R1.1631 C=CCOc1c(cccc1Cl)N 34a_100000754742_100015514636 [0,1,0,0,0,0|2,0,1]=4 6754 B12R1.1631 C=CCOc1c(cccc1I)Cl 34a_100010202889_100015514636 [0,1,0,0,0,0|2,0,1]=4 6755 B12R1.1631 C=CCOc1c(cccc1I)Cl 7a_100010202889_100015514636 [0,1,0,0,0,0|2,0,1]=4 6756 B12R1.1631 C=CCSc1c(cccc1Br)Cl 62a_100000210623_100010214488 [0,1,0,0,0,0|2,0,1]=4 6757 B12R1.1631 C=CCSc1c(cccc1Br)Cl 62a_100010214488_100000210623 [0,1,0,0,0,0|2,0,1]=4 6758 B12R1.1631 C=CCSc1c(cccc1Cl)C 62a_100000043165_100000210623 [0,1,0,0,0,0|2,0,1]=4 6759 B12R1.1631 C=CCSc1c(cccc1Cl)C 62a_100000210623_100000043165 [0,1,0,0,0,0|2,0,1]=4 6760 B12R1.1631 C=CCSc1c(cccc1Cl)Cl 62a_100000034237_100000210623 [0,1,0,0,0,0|2,0,1]=4 6761 B12R1.1631 C=CCSc1c(cccc1Cl)Cl 62a_100000210623_100000034237 [0,1,0,0,0,0|2,0,1]=4 6762 B12R1.1631 C=CCSc1c(cccc1Cl)F 62a_100000050007_100000210623 [0,1,0,0,0,0|2,0,1]=4 6763 B12R1.1631 C=CCSc1c(cccc1Cl)F 62a_100000210623_100000050007 [0,1,0,0,0,0|2,0,1]=4 6764 B12R1.1631 C=CCSc1c(cccc1Cl)N 62a_100000049713_100000210623 [0,1,0,0,0,0|2,0,1]=4 6765 B12R1.1631 C=CCSc1c(cccc1Cl)N 62a_100000210623_100000049713 [0,1,0,0,0,0|2,0,1]=4 6766 B12R1.1631 C=CCSc1c(cccc1Cl)O 62a_100000210623_100000050174 [0,1,0,0,0,0|2,0,1]=4 6767 B12R1.1631 CC=NNc1c(cccc1Cl)Cl 4a_100000688888_200000210099 [0,1,0,0,0,0|3,0,0]=4 6768 B12R1.1631 CC=NNc1c(cccc1Cl)F 4a_100000703590_200000210099 [0,1,0,0,0,0|3,0,0]=4 6769 B12R1.1631 CCCCc1c(ccc[n+]1[O-])C 271570a_100020621405_100116209805 [0,1,0,0,0,0|3,0,0]=4 6770 B12R1.1631 CCCCc1c(cccc1Br)Br 271570a_100020621405_100009994525 [0,1,0,0,0,0|1,1,0]=3 6771 B12R1.1631 CCCCc1c(cccc1Br)Cl 271570a_100020621405_100010214488 [0,1,0,0,0,0|1,0,0]=2 6772 B12R1.1631 CCCCc1c(cccc1Br)F 271570a_100020621405_100011219512 [0,1,0,0,0,0|1,1,0]=3 6773 B12R1.1631 CCCCc1c(cccc1Br)N 271570a_100020621405_100020590159 [0,1,0,0,0,0|1,1,0]=3 6774 B12R1.1631 CCCCc1c(cccc1Br)O 271570a_100020621405_100010187912 [0,1,0,0,0,0|1,1,0]=3 6775 B12R1.1631 CCCCc1c(cccc1C)C 271570a_100020621405_100000033847 [0,1,0,0,0,0|2,0,0]=3 6776 B12R1.1631 CCCCc1c(cccc1Cl)C 271570a_100020621405_100000043165 [0,1,0,0,0,0|1,0,0]=2 6777 B12R1.1631 CCCCc1c(cccc1Cl)Cl 271570a_100020621405_100000034237 [0,1,0,0,0,0|1,0,0]=2 6778 B12R1.1631 CCCCc1c(cccc1Cl)F 271570a_100020621405_100000050007 [0,1,0,0,0,0|1,0,0]=2 6779 B12R1.1631 CCCCc1c(cccc1Cl)N 271570a_100020621405_100000049713 [0,1,0,0,0,0|1,0,0]=2 6780 B12R1.1631 CCCCc1c(cccc1Cl)O 271570a_100020621405_100000050174 [0,1,0,0,0,0|1,0,0]=2 6781 B12R1.1631 CCCCc1c(cccc1F)C 271570a_100020621405_100012349962 [0,1,0,0,0,0|1,1,0]=3 6782 B12R1.1631 CCCCc1c(cccc1F)F 271570a_100020621405_100000693133 [0,1,0,0,0,0|1,1,0]=3 6783 B12R1.1631 CCCCc1c(cccc1F)N 271570a_100020621405_100011934729 [0,1,0,0,0,0|1,1,0]=3 6784 B12R1.1631 CCCCc1c(cccc1F)O 271570a_100020621405_100009820682 [0,1,0,0,0,0|1,1,0]=3 6785 B12R1.1631 CCCCc1c(cccc1N)C 271570a_100020621405_100000684715 [0,1,0,0,0,0|2,0,0]=3 6786 B12R1.1631 CCCCc1c(cccc1O)C 271570a_100020621405_100000686692 [0,1,0,0,0,0|2,0,0]=3 6787 B12R1.1631 CCCCc1c(cccc1O)N 271570a_100020621405_100012183704 [0,1,0,0,0,0|2,0,0]=3 6788 B12R1.1631 CCCCc1c(cccc1O)O 271570a_100020621405_100010205330 [0,1,0,0,0,0|2,0,0]=3 6789 B12R1.1631 CCCCc1c(ccnc1C)C 271570a_100020621405_100012000501 [0,1,0,0,0,0|3,0,0]=4 6790 B12R1.1631 CCCCc1c(ccnc1C)N 271570a_100020621405_100010243816 [0,1,0,0,0,0|3,0,0]=4 6791 B12R1.1631 CCCCc1c(ccnc1F)C 271570a_100020621405_100009818256 [0,1,0,0,0,0|2,1,0]=4 6792 B12R1.1631 CCCCc1c(ccnc1F)F 271570a_100020621405_100009874084 [0,1,0,0,0,0|2,1,0]=4 6793 B12R1.1631 CCCCc1c(ccnc1F)N 271570a_100020621405_100010381272 [0,1,0,0,0,0|2,1,0]=4 6794 B12R1.1631 CCCCc1c(ccnc1N)C 271570a_100020621405_100011998619 [0,1,0,0,0,0|3,0,0]=4 6795 B12R1.1631 CCCCc1c(ccnc1N)Cl 271570a_100020621405_100010199028 [0,1,0,0,0,0|2,0,0]=3 6796 B12R1.1631 CCCCc1c(ccnc1O)C 271570a_100020621405_100012000493 [0,1,0,0,0,0|3,0,0]=4 6797 B12R1.1631 CCCCc1c(ccnc1O)O 271570a_100020621405_200009817435 [0,1,0,0,0,0|3,0,0]=4 6798 B12R1.1631 CCCCc1c(cncc1Br)Br 271570a_100020621405_100010172828 [0,1,0,0,0,0|2,1,0]=4 6799 B12R1.1631 CCCCc1c(cncc1C)C 271570a_100020621405_100009817138 [0,1,0,0,0,0|3,0,0]=4 6800 B12R1.1631 CCCCc1c(cncc1Cl)Cl 271570a_100020621405_100000036193 [0,1,0,0,0,0|2,0,0]=3 6801 B12R1.1631 CCCCc1c(cncc1F)F 271570a_100020621405_100000760538 [0,1,0,0,0,0|2,1,0]=4 6802 B12R1.1631 CCCNc1c(cccc1Br)Br 34a_100000690995_100000210303 [0,1,0,0,0,0|2,1,0]=4 6803 B12R1.1631 CCCNc1c(cccc1Br)C 34a_100011834072_100000210303 [0,1,0,0,0,0|2,1,0]=4 6804 B12R1.1631 CCCNc1c(cccc1Br)Cl 34a_100102946385_100000210303 [0,1,0,0,0,0|2,0,0]=3 6805 B12R1.1631 CCCNc1c(cccc1Br)F 34a_100000684712_100000210303 [0,1,0,0,0,0|2,1,0]=4 6806 B12R1.1631 CCCNc1c(cccc1Br)O 34a_100011934926_100000210303 [0,1,0,0,0,0|2,1,0]=4 6807 B12R1.1631 CCCNc1c(cccc1C)C 34a_100000185769_100000210303 [0,1,0,0,0,0|3,0,0]=4 6808 B12R1.1631 CCCNc1c(cccc1Cl)C 34a_100000756524_100000210303 [0,1,0,0,0,0|2,0,0]=3 6809 B12R1.1631 CCCNc1c(cccc1Cl)Cl 34a_100000210028_100000210303 [0,1,0,0,0,0|2,0,0]=3 6810 B12R1.1631 CCCNc1c(cccc1Cl)F 34a_100000760031_100000210303 [0,1,0,0,0,0|2,0,0]=3 6811 B12R1.1631 CCCNc1c(cccc1Cl)O 34a_100012022510_100000210303 [0,1,0,0,0,0|2,0,0]=3 6812 B12R1.1631 CCCNc1c(cccc1F)C 34a_100000766463_100000210303 [0,1,0,0,0,0|2,1,0]=4 6813 B12R1.1631 CCCNc1c(cccc1F)F 2230a_100000210704_100000210303 [0,1,0,0,0,0|2,1,0]=4 6814 B12R1.1631 CCCNc1c(cccc1F)F 34a_100000210704_100000210303 [0,1,0,0,0,0|2,1,0]=4 6815 B12R1.1631 CCCNc1c(cccc1F)O 34a_100020591140_100000210303 [0,1,0,0,0,0|2,1,0]=4 6816 B12R1.1631 CCCNc1c(cccc1I)F 34a_100000042321_100000210303 [0,1,0,0,0,0|2,1,0]=4 6817 B12R1.1631 CCCNc1c(cccc1O)C 34a_100000743429_100000210303 [0,1,0,0,0,0|3,0,0]=4 6818 B12R1.1631 CCCOc1c(cccc1Br)Br 34a_100000736428_100000210303 [0,1,0,0,0,0|2,1,0]=4 6819 B12R1.1631 CCCOc1c(cccc1Br)Br 7a_100000736428_100000210303 [0,1,0,0,0,0|2,1,0]=4 6820 B12R1.1631 CCCOc1c(cccc1Br)C 34a_100009817157_100000210303 [0,1,0,0,0,0|2,1,0]=4 6821 B12R1.1631 CCCOc1c(cccc1Br)C 7a_100009817157_100000210303 [0,1,0,0,0,0|2,1,0]=4 6822 B12R1.1631 CCCOc1c(cccc1Br)Cl 34a_100010214474_100000210303 [0,1,0,0,0,0|2,0,0]=3 6823 B12R1.1631 CCCOc1c(cccc1Br)Cl 7a_100010214474_100000210303 [0,1,0,0,0,0|2,0,0]=3 6824 B12R1.1631 CCCOc1c(cccc1Br)F 34a_100009813666_100000210303 [0,1,0,0,0,0|2,1,0]=4 6825 B12R1.1631 CCCOc1c(cccc1Br)F 7a_100009813666_100000210303 [0,1,0,0,0,0|2,1,0]=4 6826 B12R1.1631 CCCOc1c(cccc1Br)N 34a_100011934915_100000210303 [0,1,0,0,0,0|2,1,0]=4 6827 B12R1.1631 CCCOc1c(cccc1C)C 34a_100000210341_100000210303 [0,1,0,0,0,0|3,0,0]=4 6828 B12R1.1631 CCCOc1c(cccc1C)C 7a_100000210341_100000210303 [0,1,0,0,0,0|3,0,0]=4 6829 B12R1.1631 CCCOc1c(cccc1Cl)C 34a_100000033731_100000210303 [0,1,0,0,0,0|2,0,0]=3 6830 B12R1.1631 CCCOc1c(cccc1Cl)C 7a_100000033731_100000210303 [0,1,0,0,0,0|2,0,0]=3 6831 B12R1.1631 CCCOc1c(cccc1Cl)Cl 34a_100000211709_100000210303 [0,1,0,0,0,0|2,0,0]=3 6832 B12R1.1631 CCCOc1c(cccc1Cl)Cl 7a_100000211709_100000210303 [0,1,0,0,0,0|2,0,0]=3 6833 B12R1.1631 CCCOc1c(cccc1Cl)F 34a_100000694953_100000210303 [0,1,0,0,0,0|2,0,0]=3 6834 B12R1.1631 CCCOc1c(cccc1Cl)F 7a_100000694953_100000210303 [0,1,0,0,0,0|2,0,0]=3 6835 B12R1.1631 CCCOc1c(cccc1Cl)N 34a_100000754742_100000210303 [0,1,0,0,0,0|2,0,0]=3 6836 B12R1.1631 CCCOc1c(cccc1F)C 34a_100011659162_100000210303 [0,1,0,0,0,0|2,1,0]=4 6837 B12R1.1631 CCCOc1c(cccc1F)C 7a_100011659162_100000210303 [0,1,0,0,0,0|2,1,0]=4 6838 B12R1.1631 CCCOc1c(cccc1F)F 34a_100000230165_100000210303 [0,1,0,0,0,0|2,1,0]=4 6839 B12R1.1631 CCCOc1c(cccc1F)F 7a_100000230165_100000210303 [0,1,0,0,0,0|2,1,0]=4 6840 B12R1.1631 CCCOc1c(cccc1F)N 34a_100011934987_100000210303 [0,1,0,0,0,0|2,1,0]=4 6841 B12R1.1631 CCCOc1c(cccc1I)Br 34a_100010084509_100000210303 [0,1,0,0,0,0|2,1,0]=4 6842 B12R1.1631 CCCOc1c(cccc1I)Br 7a_100010084509_100000210303 [0,1,0,0,0,0|2,1,0]=4 6843 B12R1.1631 CCCOc1c(cccc1I)Cl 34a_100010202889_100000210303 [0,1,0,0,0,0|2,0,0]=3 6844 B12R1.1631 CCCOc1c(cccc1I)Cl 7a_100010202889_100000210303 [0,1,0,0,0,0|2,0,0]=3 6845 B12R1.1631 CCCOc1c(cccc1I)F 34a_100010186298_100000210303 [0,1,0,0,0,0|2,1,0]=4 6846 B12R1.1631 CCCOc1c(cccc1I)F 7a_100010186298_100000210303 [0,1,0,0,0,0|2,1,0]=4 6847 B12R1.1631 CCCOc1c(cccc1I)N 34a_100010084371_100000210303 [0,1,0,0,0,0|2,1,0]=4 6848 B12R1.1631 CCCOc1c(cccc1N)C 34a_100000756359_100000210303 [0,1,0,0,0,0|3,0,0]=4 6849 B12R1.1631 CCCOc1c(cccc1N)C 7a_100000756359_100000210303 [0,1,0,0,0,0|3,0,0]=4 6850 B12R1.1631 CCCOc1c(cccc1N)N 34a_200016994477_100000210303 [0,1,0,0,0,0|3,0,0]=4 6851 B12R1.1631 CCCOc1c(ccnc1Cl)C 34a_100000696282_100000210303 [0,1,0,0,0,0|3,0,0]=4 6852 B12R1.1631 CCCOc1c(ccnc1Cl)C 7a_100000696282_100000210303 [0,1,0,0,0,0|3,0,0]=4 6853 B12R1.1631 CCCOc1c(ccnc1Cl)Cl 34a_100000118450_100000210303 [0,1,0,0,0,0|3,0,0]=4 6854 B12R1.1631 CCCOc1c(ccnc1Cl)Cl 7a_100000118450_100000210303 [0,1,0,0,0,0|3,0,0]=4 6855 B12R1.1631 CCCOc1c(ccnc1Cl)F 34a_100009867227_100000210303 [0,1,0,0,0,0|3,0,0]=4 6856 B12R1.1631 CCCOc1c(ccnc1Cl)F 7a_100009867227_100000210303 [0,1,0,0,0,0|3,0,0]=4 6857 B12R1.1631 CCCOc1c(ccnc1Cl)I 34a_100010067911_100000210303 [0,1,0,0,0,0|3,0,0]=4 6858 B12R1.1631 CCCOc1c(ccnc1Cl)I 7a_100010067911_100000210303 [0,1,0,0,0,0|3,0,0]=4 6859 B12R1.1631 CCCOc1c(ccnc1Cl)N 34a_100009844647_100000210303 [0,1,0,0,0,0|3,0,0]=4 6860 B12R1.1631 CCCOc1c(ccnc1Cl)N 7a_100009844647_100000210303 [0,1,0,0,0,0|3,0,0]=4 6861 B12R1.1631 CCCSc1c(cccc1Br)Br 62a_100000210303_100009994525 [0,1,0,0,0,0|2,1,0]=4 6862 B12R1.1631 CCCSc1c(cccc1Br)Br 62a_100009994525_100000210303 [0,1,0,0,0,0|2,1,0]=4 6863 B12R1.1631 CCCSc1c(cccc1Br)C 62a_100000210303_100010141302 [0,1,0,0,0,0|2,1,0]=4 6864 B12R1.1631 CCCSc1c(cccc1Br)C 62a_100010141302_100000210303 [0,1,0,0,0,0|2,1,0]=4 6865 B12R1.1631 CCCSc1c(cccc1Br)Cl 62a_100000210303_100010214488 [0,1,0,0,0,0|2,0,0]=3 6866 B12R1.1631 CCCSc1c(cccc1Br)Cl 62a_100010214488_100000210303 [0,1,0,0,0,0|2,0,0]=3 6867 B12R1.1631 CCCSc1c(cccc1Br)F 62a_100000210303_100011219512 [0,1,0,0,0,0|2,1,0]=4 6868 B12R1.1631 CCCSc1c(cccc1Br)F 62a_100011219512_100000210303 [0,1,0,0,0,0|2,1,0]=4 6869 B12R1.1631 CCCSc1c(cccc1Br)N 62a_100000210303_100020590159 [0,1,0,0,0,0|2,1,0]=4 6870 B12R1.1631 CCCSc1c(cccc1Br)N 62a_100020590159_100000210303 [0,1,0,0,0,0|2,1,0]=4 6871 B12R1.1631 CCCSc1c(cccc1Br)O 62a_100000210303_100010187912 [0,1,0,0,0,0|2,1,0]=4 6872 B12R1.1631 CCCSc1c(cccc1Br)O 62a_100010187912_100000210303 [0,1,0,0,0,0|2,1,0]=4 6873 B12R1.1631 CCCSc1c(cccc1C)C 62a_100000033847_100000210303 [0,1,0,0,0,0|3,0,0]=4 6874 B12R1.1631 CCCSc1c(cccc1C)C 62a_100000210303_100000033847 [0,1,0,0,0,0|3,0,0]=4 6875 B12R1.1631 CCCSc1c(cccc1Cl)C 62a_100000043165_100000210303 [0,1,0,0,0,0|2,0,0]=3 6876 B12R1.1631 CCCSc1c(cccc1Cl)C 62a_100000210303_100000043165 [0,1,0,0,0,0|2,0,0]=3 6877 B12R1.1631 CCCSc1c(cccc1Cl)Cl 62a_100000034237_100000210303 [0,1,0,0,0,0|2,0,0]=3 6878 B12R1.1631 CCCSc1c(cccc1Cl)Cl 62a_100000210303_100000034237 [0,1,0,0,0,0|2,0,0]=3 6879 B12R1.1631 CCCSc1c(cccc1Cl)F 62a_100000050007_100000210303 [0,1,0,0,0,0|2,0,0]=3 6880 B12R1.1631 CCCSc1c(cccc1Cl)F 62a_100000210303_100000050007 [0,1,0,0,0,0|2,0,0]=3 6881 B12R1.1631 CCCSc1c(cccc1Cl)N 62a_100000049713_100000210303 [0,1,0,0,0,0|2,0,0]=3 6882 B12R1.1631 CCCSc1c(cccc1Cl)N 62a_100000210303_100000049713 [0,1,0,0,0,0|2,0,0]=3 6883 B12R1.1631 CCCSc1c(cccc1Cl)O 62a_100000210303_100000050174 [0,1,0,0,0,0|2,0,0]=3 6884 B12R1.1631 CCCSc1c(cccc1F)C 62a_100000210303_100011218421 [0,1,0,0,0,0|2,1,0]=4 6885 B12R1.1631 CCCSc1c(cccc1F)C 62a_100011218421_100000210303 [0,1,0,0,0,0|2,1,0]=4 6886 B12R1.1631 CCCSc1c(cccc1F)F 62a_100000210303_100000693133 [0,1,0,0,0,0|2,1,0]=4 6887 B12R1.1631 CCCSc1c(cccc1F)F 62a_100000693133_100000210303 [0,1,0,0,0,0|2,1,0]=4 6888 B12R1.1631 CCCSc1c(cccc1F)N 62a_100000210303_100000690935 [0,1,0,0,0,0|2,1,0]=4 6889 B12R1.1631 CCCSc1c(cccc1F)N 62a_100000690935_100000210303 [0,1,0,0,0,0|2,1,0]=4 6890 B12R1.1631 CCCSc1c(cccc1F)O 62a_100000210303_100009820682 [0,1,0,0,0,0|2,1,0]=4 6891 B12R1.1631 CCCSc1c(cccc1F)O 62a_100009820682_100000210303 [0,1,0,0,0,0|2,1,0]=4 6892 B12R1.1631 CCCSc1c(cccc1N)C 62a_100000210303_100000684715 [0,1,0,0,0,0|3,0,0]=4 6893 B12R1.1631 CCCSc1c(cccc1N)C 62a_100000684715_100000210303 [0,1,0,0,0,0|3,0,0]=4 6894 B12R1.1631 CCCSc1c(cccc1O)C 62a_100000210303_100000686692 [0,1,0,0,0,0|3,0,0]=4 6895 B12R1.1631 CCCSc1c(cccc1O)C 62a_100000686692_100000210303 [0,1,0,0,0,0|3,0,0]=4 6896 B12R1.1631 CCCSc1c(cccc1O)N 62a_100000210303_100012183704 [0,1,0,0,0,0|3,0,0]=4 6897 B12R1.1631 CCCSc1c(cccc1O)N 62a_100012183704_100000210303 [0,1,0,0,0,0|3,0,0]=4 6898 B12R1.1631 CCCSc1c(cccc1O)O 62a_100000210303_100010205330 [0,1,0,0,0,0|3,0,0]=4 6899 B12R1.1631 CCCSc1c(ccnc1Cl)Br 62a_100000210303_100009814607 [0,1,0,0,0,0|3,0,0]=4 6900 B12R1.1631 CCCSc1c(ccnc1Cl)Br 62a_100009814607_100000210303 [0,1,0,0,0,0|3,0,0]=4 6901 B12R1.1631 CCCSc1c(ccnc1Cl)C 62a_100000210303_100010248874 [0,1,0,0,0,0|3,0,0]=4 6902 B12R1.1631 CCCSc1c(ccnc1Cl)C 62a_100010248874_100000210303 [0,1,0,0,0,0|3,0,0]=4 6903 B12R1.1631 CCCSc1c(ccnc1Cl)Cl 62a_100000050019_100000210303 [0,1,0,0,0,0|3,0,0]=4 6904 B12R1.1631 CCCSc1c(ccnc1Cl)Cl 62a_100000210303_100000050019 [0,1,0,0,0,0|3,0,0]=4 6905 B12R1.1631 CCCSc1c(ccnc1Cl)F 62a_100000210303_100000716511 [0,1,0,0,0,0|3,0,0]=4 6906 B12R1.1631 CCCSc1c(ccnc1Cl)F 62a_100000716511_100000210303 [0,1,0,0,0,0|3,0,0]=4 6907 B12R1.1631 CCCSc1c(ccnc1Cl)N 62a_100000210303_100010208016 [0,1,0,0,0,0|3,0,0]=4 6908 B12R1.1631 CCCSc1c(ccnc1Cl)N 62a_100010208016_100000210303 [0,1,0,0,0,0|3,0,0]=4 6909 B12R1.1631 CCCSc1c(ccnc1N)Cl 62a_100000210303_100010199028 [0,1,0,0,0,0|3,0,0]=4 6910 B12R1.1631 CCCSc1c(ccnc1N)Cl 62a_100010199028_100000210303 [0,1,0,0,0,0|3,0,0]=4 6911 B12R1.1631 CCCSc1c(cncc1Cl)Cl 62a_100000036193_100000210303 [0,1,0,0,0,0|3,0,0]=4 6912 B12R1.1631 CCCSc1c(cncc1Cl)Cl 62a_100000210303_100000036193 [0,1,0,0,0,0|3,0,0]=4 6913 B12R1.1631 CCNCc1c(cccc1Br)Br 207a_100015525214_100010233043 [0,1,0,0,0,0|2,1,0]=4 6914 B12R1.1631 CCNCc1c(cccc1Br)Br 270004a_100015525214_100010233043 [0,1,0,0,0,0|2,1,0]=4 6915 B12R1.1631 CCNCc1c(cccc1Br)C 207a_100015525214_100009881667 [0,1,0,0,0,0|2,1,0]=4 6916 B12R1.1631 CCNCc1c(cccc1Br)C 2230a_100015525214_100010146847 [0,1,0,0,0,0|2,1,0]=4 6917 B12R1.1631 CCNCc1c(cccc1Br)C 270004a_100015525214_100009881667 [0,1,0,0,0,0|2,1,0]=4 6918 B12R1.1631 CCNCc1c(cccc1Br)Cl 207a_100015525214_100011249081 [0,1,0,0,0,0|2,0,0]=3 6919 B12R1.1631 CCNCc1c(cccc1Br)Cl 2230a_100015525214_100010138402 [0,1,0,0,0,0|2,0,0]=3 6920 B12R1.1631 CCNCc1c(cccc1Br)Cl 270004a_100015525214_100011249081 [0,1,0,0,0,0|2,0,0]=3 6921 B12R1.1631 CCNCc1c(cccc1Br)F 207a_100015525214_100000752695 [0,1,0,0,0,0|2,1,0]=4 6922 B12R1.1631 CCNCc1c(cccc1Br)F 2230a_100015525214_100012145669 [0,1,0,0,0,0|2,1,0]=4 6923 B12R1.1631 CCNCc1c(cccc1Br)F 270004a_100015525214_100000752695 [0,1,0,0,0,0|2,1,0]=4 6924 B12R1.1631 CCNCc1c(cccc1Br)F 34a_100012349121_100000210202 [0,1,0,0,0,0|2,1,0]=4 6925 B12R1.1631 CCNCc1c(cccc1C)C 207a_100015525214_100000758299 [0,1,0,0,0,0|3,0,0]=4 6926 B12R1.1631 CCNCc1c(cccc1C)C 2230a_100015525214_100000758300 [0,1,0,0,0,0|3,0,0]=4 6927 B12R1.1631 CCNCc1c(cccc1C)C 270004a_100015525214_100000758299 [0,1,0,0,0,0|3,0,0]=4 6928 B12R1.1631 CCNCc1c(cccc1C)C 34a_100000689800_100000210202 [0,1,0,0,0,0|3,0,0]=4 6929 B12R1.1631 CCNCc1c(cccc1Cl)C 207a_100015525214_100000041122 [0,1,0,0,0,0|2,0,0]=3 6930 B12R1.1631 CCNCc1c(cccc1Cl)C 270004a_100015525214_100000041122 [0,1,0,0,0,0|2,0,0]=3 6931 B12R1.1631 CCNCc1c(cccc1Cl)Cl 207a_100015525214_100000189306 [0,1,0,0,0,0|2,0,0]=3 6932 B12R1.1631 CCNCc1c(cccc1Cl)Cl 2230a_100000174884_100000210202 [0,1,0,0,0,0|2,0,0]=3 6933 B12R1.1631 CCNCc1c(cccc1Cl)Cl 2230a_100015525214_100000187851 [0,1,0,0,0,0|2,0,0]=3 6934 B12R1.1631 CCNCc1c(cccc1Cl)Cl 270004a_100015525214_100000189306 [0,1,0,0,0,0|2,0,0]=3 6935 B12R1.1631 CCNCc1c(cccc1Cl)Cl 34a_100000174884_100000210202 [0,1,0,0,0,0|2,0,0]=3 6936 B12R1.1631 CCNCc1c(cccc1Cl)F 207a_100015525214_100000210083 [0,1,0,0,0,0|2,0,0]=3 6937 B12R1.1631 CCNCc1c(cccc1Cl)F 2230a_100015525214_100000187852 [0,1,0,0,0,0|2,0,0]=3 6938 B12R1.1631 CCNCc1c(cccc1Cl)F 270004a_100015525214_100000210083 [0,1,0,0,0,0|2,0,0]=3 6939 B12R1.1631 CCNCc1c(cccc1Cl)F 34a_100000174883_100000210202 [0,1,0,0,0,0|2,0,0]=3 6940 B12R1.1631 CCNCc1c(cccc1F)C 207a_100015525214_100000069827 [0,1,0,0,0,0|2,1,0]=4 6941 B12R1.1631 CCNCc1c(cccc1F)C 2230a_100015525214_100009814554 [0,1,0,0,0,0|2,1,0]=4 6942 B12R1.1631 CCNCc1c(cccc1F)C 270004a_100015525214_100000069827 [0,1,0,0,0,0|2,1,0]=4 6943 B12R1.1631 CCNCc1c(cccc1F)C 34a_100000762012_100000210202 [0,1,0,0,0,0|2,1,0]=4 6944 B12R1.1631 CCNCc1c(cccc1F)F 207a_100015525214_100000211061 [0,1,0,0,0,0|2,1,0]=4 6945 B12R1.1631 CCNCc1c(cccc1F)F 2230a_100015525214_100000698325 [0,1,0,0,0,0|2,1,0]=4 6946 B12R1.1631 CCNCc1c(cccc1F)F 270004a_100015525214_100000211061 [0,1,0,0,0,0|2,1,0]=4 6947 B12R1.1631 CCNCc1c(cccc1F)F 34a_100000688400_100000210202 [0,1,0,0,0,0|2,1,0]=4 6948 B12R1.1631 CCNCc1c(cccc1I)Br 2230a_100015525214_100010146611 [0,1,0,0,0,0|2,1,0]=4 6949 B12R1.1631 CCNCc1c(cccc1I)C 2230a_100015525214_100010150146 [0,1,0,0,0,0|2,1,0]=4 6950 B12R1.1631 CCNCc1c(cccc1I)Cl 207a_100015525214_100010147682 [0,1,0,0,0,0|2,0,0]=3 6951 B12R1.1631 CCNCc1c(cccc1I)Cl 270004a_100015525214_100010147682 [0,1,0,0,0,0|2,0,0]=3 6952 B12R1.1631 CCNCc1c(cccc1I)F 207a_100015525214_100010178011 [0,1,0,0,0,0|2,1,0]=4 6953 B12R1.1631 CCNCc1c(cccc1I)F 2230a_100015525214_100010149602 [0,1,0,0,0,0|2,1,0]=4 6954 B12R1.1631 CCNCc1c(cccc1I)F 270004a_100015525214_100010178011 [0,1,0,0,0,0|2,1,0]=4 6955 B12R1.1631 CCNCc1c(cncc1Br)Cl 207a_100015525214_100010064873 [0,1,0,0,0,0|3,0,0]=4 6956 B12R1.1631 CCNCc1c(cncc1Br)Cl 270004a_100015525214_100010064873 [0,1,0,0,0,0|3,0,0]=4 6957 B12R1.1631 CCNCc1c(cncc1Cl)Cl 207a_100015525214_100000067493 [0,1,0,0,0,0|3,0,0]=4 6958 B12R1.1631 CCNCc1c(cncc1Cl)Cl 2230a_100015525214_200009872113 [0,1,0,0,0,0|3,0,0]=4 6959 B12R1.1631 CCNCc1c(cncc1Cl)Cl 270004a_100015525214_100000067493 [0,1,0,0,0,0|3,0,0]=4 6960 B12R1.1631 CCOCc1c(cccc1Br)Br 34a_100010172814_100000210202 [0,1,0,0,0,0|2,1,0]=4 6961 B12R1.1631 CCOCc1c(cccc1Br)Br 7a_100010172814_100000210202 [0,1,0,0,0,0|2,1,0]=4 6962 B12R1.1631 CCOCc1c(cccc1Br)C 34a_100121572206_100010146847 [0,1,0,0,0,0|2,1,0]=4 6963 B12R1.1631 CCOCc1c(cccc1Br)Cl 34a_100121572206_100010138402 [0,1,0,0,0,0|2,0,0]=3 6964 B12R1.1631 CCOCc1c(cccc1Br)F 34a_100012355691_100000210202 [0,1,0,0,0,0|2,1,0]=4 6965 B12R1.1631 CCOCc1c(cccc1Br)F 34a_100121572206_100012145669 [0,1,0,0,0,0|2,1,0]=4 6966 B12R1.1631 CCOCc1c(cccc1Br)F 7a_100012355691_100000210202 [0,1,0,0,0,0|2,1,0]=4 6967 B12R1.1631 CCOCc1c(cccc1Br)N 34a_100000747656_100000210202 [0,1,0,0,0,0|2,1,0]=4 6968 B12R1.1631 CCOCc1c(cccc1C)C 34a_100011933981_100000210202 [0,1,0,0,0,0|3,0,0]=4 6969 B12R1.1631 CCOCc1c(cccc1C)C 34a_100121572206_100000758300 [0,1,0,0,0,0|3,0,0]=4 6970 B12R1.1631 CCOCc1c(cccc1C)C 7a_100011933981_100000210202 [0,1,0,0,0,0|3,0,0]=4 6971 B12R1.1631 CCOCc1c(cccc1Cl)C 34a_100000082531_100000210202 [0,1,0,0,0,0|2,0,0]=3 6972 B12R1.1631 CCOCc1c(cccc1Cl)C 7a_100000082531_100000210202 [0,1,0,0,0,0|2,0,0]=3 6973 B12R1.1631 CCOCc1c(cccc1Cl)Cl 34a_100000215722_100000210202 [0,1,0,0,0,0|2,0,0]=3 6974 B12R1.1631 CCOCc1c(cccc1Cl)Cl 34a_100121572206_100000187851 [0,1,0,0,0,0|2,0,0]=3 6975 B12R1.1631 CCOCc1c(cccc1Cl)Cl 7a_100000215722_100000210202 [0,1,0,0,0,0|2,0,0]=3 6976 B12R1.1631 CCOCc1c(cccc1Cl)F 34a_100000215723_100000210202 [0,1,0,0,0,0|2,0,0]=3 6977 B12R1.1631 CCOCc1c(cccc1Cl)F 34a_100121572206_100000187852 [0,1,0,0,0,0|2,0,0]=3 6978 B12R1.1631 CCOCc1c(cccc1Cl)F 7a_100000215723_100000210202 [0,1,0,0,0,0|2,0,0]=3 6979 B12R1.1631 CCOCc1c(cccc1Cl)N 34a_100011916388_100000210202 [0,1,0,0,0,0|2,0,0]=3 6980 B12R1.1631 CCOCc1c(cccc1F)C 34a_100000057874_100000210202 [0,1,0,0,0,0|2,1,0]=4 6981 B12R1.1631 CCOCc1c(cccc1F)C 34a_100121572206_100009814554 [0,1,0,0,0,0|2,1,0]=4 6982 B12R1.1631 CCOCc1c(cccc1F)C 7a_100000057874_100000210202 [0,1,0,0,0,0|2,1,0]=4 6983 B12R1.1631 CCOCc1c(cccc1F)F 34a_100000698215_100000210202 [0,1,0,0,0,0|2,1,0]=4 6984 B12R1.1631 CCOCc1c(cccc1F)F 34a_100121572206_100000698325 [0,1,0,0,0,0|2,1,0]=4 6985 B12R1.1631 CCOCc1c(cccc1F)F 7a_100000698215_100000210202 [0,1,0,0,0,0|2,1,0]=4 6986 B12R1.1631 CCOCc1c(cccc1F)N 34a_100011846719_100000210202 [0,1,0,0,0,0|2,1,0]=4 6987 B12R1.1631 CCOCc1c(cccc1I)Br 34a_100121572206_100010146611 [0,1,0,0,0,0|2,1,0]=4 6988 B12R1.1631 CCOCc1c(cccc1I)C 34a_100121572206_100010150146 [0,1,0,0,0,0|2,1,0]=4 6989 B12R1.1631 CCOCc1c(cccc1I)F 34a_100010214973_100000210202 [0,1,0,0,0,0|2,1,0]=4 6990 B12R1.1631 CCOCc1c(cccc1I)F 34a_100121572206_100010149602 [0,1,0,0,0,0|2,1,0]=4 6991 B12R1.1631 CCOCc1c(cccc1I)F 7a_100010214973_100000210202 [0,1,0,0,0,0|2,1,0]=4 6992 B12R1.1631 CCOCc1c(ccnc1Cl)Cl 34a_200009882739_100000210202 [0,1,0,0,0,0|3,0,0]=4 6993 B12R1.1631 CCOCc1c(ccnc1Cl)Cl 7a_200009882739_100000210202 [0,1,0,0,0,0|3,0,0]=4 6994 B12R1.1631 CCOCc1c(ccnc1Cl)I 7a_100000047008_100000210202 [0,1,0,0,0,0|3,0,0]=4 6995 B12R1.1631 CCOCc1c(cncc1Cl)Cl 34a_100121572206_200009872113 [0,1,0,0,0,0|3,0,0]=4 6996 B12R1.1631 CCSCc1c(cccc1Br)C 62a_100000210202_100010146847 [0,1,0,0,0,0|2,1,0]=4 6997 B12R1.1631 CCSCc1c(cccc1Br)C 62a_100010146847_100000210202 [0,1,0,0,0,0|2,1,0]=4 6998 B12R1.1631 CCSCc1c(cccc1Br)Cl 62a_100000210202_100010138402 [0,1,0,0,0,0|2,0,0]=3 6999 B12R1.1631 CCSCc1c(cccc1Br)Cl 62a_100010138402_100000210202 [0,1,0,0,0,0|2,0,0]=3 7000 B12R1.1631 CCSCc1c(cccc1Br)F 62a_100000210202_100012145669 [0,1,0,0,0,0|2,1,0]=4 7001 B12R1.1631 CCSCc1c(cccc1Br)F 62a_100012145669_100000210202 [0,1,0,0,0,0|2,1,0]=4 7002 B12R1.1631 CCSCc1c(cccc1C)C 62a_100000210202_100000758300 [0,1,0,0,0,0|3,0,0]=4 7003 B12R1.1631 CCSCc1c(cccc1C)C 62a_100000758300_100000210202 [0,1,0,0,0,0|3,0,0]=4 7004 B12R1.1631 CCSCc1c(cccc1Cl)Cl 62a_100000187851_100000210202 [0,1,0,0,0,0|2,0,0]=3 7005 B12R1.1631 CCSCc1c(cccc1Cl)Cl 62a_100000210202_100000187851 [0,1,0,0,0,0|2,0,0]=3 7006 B12R1.1631 CCSCc1c(cccc1Cl)F 62a_100000187852_100000210202 [0,1,0,0,0,0|2,0,0]=3 7007 B12R1.1631 CCSCc1c(cccc1Cl)F 62a_100000210202_100000187852 [0,1,0,0,0,0|2,0,0]=3 7008 B12R1.1631 CCSCc1c(cccc1F)C 62a_100000210202_100009814554 [0,1,0,0,0,0|2,1,0]=4 7009 B12R1.1631 CCSCc1c(cccc1F)C 62a_100009814554_100000210202 [0,1,0,0,0,0|2,1,0]=4 7010 B12R1.1631 CCSCc1c(cccc1F)F 62a_100000210202_100000698325 [0,1,0,0,0,0|2,1,0]=4 7011 B12R1.1631 CCSCc1c(cccc1F)F 62a_100000709179_100000210202 [0,1,0,0,0,0|2,1,0]=4 7012 B12R1.1631 CCSCc1c(cccc1I)Br 62a_100000210202_100010146611 [0,1,0,0,0,0|2,1,0]=4 7013 B12R1.1631 CCSCc1c(cccc1I)Br 62a_100010146611_100000210202 [0,1,0,0,0,0|2,1,0]=4 7014 B12R1.1631 CCSCc1c(cccc1I)C 62a_100000210202_100010150146 [0,1,0,0,0,0|2,1,0]=4 7015 B12R1.1631 CCSCc1c(cccc1I)C 62a_100010150146_100000210202 [0,1,0,0,0,0|2,1,0]=4 7016 B12R1.1631 CCSCc1c(cccc1I)F 62a_100000210202_100010149602 [0,1,0,0,0,0|2,1,0]=4 7017 B12R1.1631 CCSCc1c(cccc1I)F 62a_100010149602_100000210202 [0,1,0,0,0,0|2,1,0]=4 7018 B12R1.1631 CCSCc1c(cncc1Cl)Cl 62a_100000210202_200009872113 [0,1,0,0,0,0|3,0,0]=4 7019 B12R1.1631 CCSCc1c(cncc1Cl)Cl 62a_200009872113_100000210202 [0,1,0,0,0,0|3,0,0]=4 7020 B12R1.1631 CNCCc1c(cccc1Cl)Cl 2230a_100032004868_200000210301 [0,1,0,0,0,0|0,0,0]=1 7021 B12R1.1631 CNCCc1c(cccc1Cl)Cl 2230a_106832991635_100012161200 [0,1,0,0,0,0|0,0,0]=1 7022 B12R1.1631 CNCCc1c(cccc1Cl)Cl 34a_100032004868_200000210301 [0,1,0,0,0,0|0,0,0]=1 7023 B12R1.1631 CNCCc1c(cccc1Cl)Cl 34a_100102657272_100012161200 [0,1,0,0,0,0|0,0,0]=1 7024 B12R1.1631 CNCCc1c(cccc1Cl)Cl 7a_106832991635_100012161200 [0,1,0,0,0,0|0,0,0]=1 7025 B12R1.1631 CNCCc1c(cccc1Cl)F 2230a_100000688150_200000210301 [0,1,0,0,0,0|0,0,0]=1 7026 B12R1.1631 CNCCc1c(cccc1Cl)F 34a_100000688150_200000210301 [0,1,0,0,0,0|0,0,0]=1 7027 B12R1.1631 COCCc1c(cccc1Cl)Cl 34a_100011934077_200000210301 [0,1,0,0,0,0|1,0,0]=2 7028 B12R1.1631 COCCc1c(cccc1Cl)Cl 34a_100138415774_100012161200 [0,1,0,0,0,0|1,0,0]=2 7029 B12R1.1631 COCCc1c(cccc1Cl)Cl 7a_100011934077_200000210301 [0,1,0,0,0,0|1,0,0]=2 7030 B12R1.1631 COCCc1c(cccc1Cl)F 34a_100011273940_200000210301 [0,1,0,0,0,0|1,0,0]=2 7031 B12R1.1631 COCCc1c(cccc1Cl)F 7a_100011273940_200000210301 [0,1,0,0,0,0|1,0,0]=2 7032 B12R1.1631 COCCc1c(cccc1F)F 34a_100011975733_200000210301 [0,1,0,0,0,0|1,1,0]=3 7033 B12R1.1631 COCCc1c(cccc1F)F 7a_100011975733_200000210301 [0,1,0,0,0,0|1,1,0]=3 7034 B12R1.1631 COCNc1c(cccc1F)F 2230a_100000210704_100000766300 [0,1,0,0,0,0|2,1,0]=4 7035 B12R1.1631 COCSc1c(cccc1Br)Br 62a_100000766300_100009994525 [0,1,0,0,0,0|2,1,0]=4 7036 B12R1.1631 COCSc1c(cccc1Br)Br 62a_100009994525_100000766300 [0,1,0,0,0,0|2,1,0]=4 7037 B12R1.1631 COCSc1c(cccc1Br)C 62a_100000766300_100010141302 [0,1,0,0,0,0|2,1,0]=4 7038 B12R1.1631 COCSc1c(cccc1Br)C 62a_100010141302_100000766300 [0,1,0,0,0,0|2,1,0]=4 7039 B12R1.1631 COCSc1c(cccc1Br)Cl 62a_100000766300_100010214488 [0,1,0,0,0,0|2,0,0]=3 7040 B12R1.1631 COCSc1c(cccc1Br)Cl 62a_100010214488_100000766300 [0,1,0,0,0,0|2,0,0]=3 7041 B12R1.1631 COCSc1c(cccc1Br)F 62a_100000766300_100011219512 [0,1,0,0,0,0|2,1,0]=4 7042 B12R1.1631 COCSc1c(cccc1Br)F 62a_100011219512_100000766300 [0,1,0,0,0,0|2,1,0]=4 7043 B12R1.1631 COCSc1c(cccc1Br)N 62a_100000766300_100020590159 [0,1,0,0,0,0|2,1,0]=4 7044 B12R1.1631 COCSc1c(cccc1Br)N 62a_100020590159_100000766300 [0,1,0,0,0,0|2,1,0]=4 7045 B12R1.1631 COCSc1c(cccc1Br)O 62a_100000766300_100010187912 [0,1,0,0,0,0|2,1,0]=4 7046 B12R1.1631 COCSc1c(cccc1Br)O 62a_100010187912_100000766300 [0,1,0,0,0,0|2,1,0]=4 7047 B12R1.1631 COCSc1c(cccc1C)C 62a_100000033847_100000766300 [0,1,0,0,0,0|3,0,0]=4 7048 B12R1.1631 COCSc1c(cccc1C)C 62a_100000766300_100000033847 [0,1,0,0,0,0|3,0,0]=4 7049 B12R1.1631 COCSc1c(cccc1Cl)C 62a_100000043165_100000766300 [0,1,0,0,0,0|2,0,0]=3 7050 B12R1.1631 COCSc1c(cccc1Cl)C 62a_100000766300_100000043165 [0,1,0,0,0,0|2,0,0]=3 7051 B12R1.1631 COCSc1c(cccc1Cl)Cl 62a_100000034237_100000766300 [0,1,0,0,0,0|2,0,0]=3 7052 B12R1.1631 COCSc1c(cccc1Cl)Cl 62a_100000766300_100000034237 [0,1,0,0,0,0|2,0,0]=3 7053 B12R1.1631 COCSc1c(cccc1Cl)F 62a_100000050007_100000766300 [0,1,0,0,0,0|2,0,0]=3 7054 B12R1.1631 COCSc1c(cccc1Cl)F 62a_100000766300_100000050007 [0,1,0,0,0,0|2,0,0]=3 7055 B12R1.1631 COCSc1c(cccc1Cl)N 62a_100000049713_100000766300 [0,1,0,0,0,0|2,0,0]=3 7056 B12R1.1631 COCSc1c(cccc1Cl)N 62a_100000766300_100000049713 [0,1,0,0,0,0|2,0,0]=3 7057 B12R1.1631 COCSc1c(cccc1Cl)O 62a_100000766300_100000050174 [0,1,0,0,0,0|2,0,0]=3 7058 B12R1.1631 COCSc1c(cccc1F)C 62a_100000766300_100011218421 [0,1,0,0,0,0|2,1,0]=4 7059 B12R1.1631 COCSc1c(cccc1F)C 62a_100011218421_100000766300 [0,1,0,0,0,0|2,1,0]=4 7060 B12R1.1631 COCSc1c(cccc1F)F 62a_100000693133_100000766300 [0,1,0,0,0,0|2,1,0]=4 7061 B12R1.1631 COCSc1c(cccc1F)F 62a_100000766300_100000693133 [0,1,0,0,0,0|2,1,0]=4 7062 B12R1.1631 COCSc1c(cccc1F)N 62a_100000690935_100000766300 [0,1,0,0,0,0|2,1,0]=4 7063 B12R1.1631 COCSc1c(cccc1F)N 62a_100000766300_100000690935 [0,1,0,0,0,0|2,1,0]=4 7064 B12R1.1631 COCSc1c(cccc1F)O 62a_100000766300_100009820682 [0,1,0,0,0,0|2,1,0]=4 7065 B12R1.1631 COCSc1c(cccc1F)O 62a_100009820682_100000766300 [0,1,0,0,0,0|2,1,0]=4 7066 B12R1.1631 COCSc1c(cccc1N)C 62a_100000684715_100000766300 [0,1,0,0,0,0|3,0,0]=4 7067 B12R1.1631 COCSc1c(cccc1N)C 62a_100000766300_100000684715 [0,1,0,0,0,0|3,0,0]=4 7068 B12R1.1631 COCSc1c(cccc1O)C 62a_100000686692_100000766300 [0,1,0,0,0,0|3,0,0]=4 7069 B12R1.1631 COCSc1c(cccc1O)C 62a_100000766300_100000686692 [0,1,0,0,0,0|3,0,0]=4 7070 B12R1.1631 COCSc1c(cccc1O)N 62a_100000766300_100012183704 [0,1,0,0,0,0|3,0,0]=4 7071 B12R1.1631 COCSc1c(cccc1O)N 62a_100012183704_100000766300 [0,1,0,0,0,0|3,0,0]=4 7072 B12R1.1631 COCSc1c(cccc1O)O 62a_100000766300_100010205330 [0,1,0,0,0,0|3,0,0]=4 7073 B12R1.1631 COCSc1c(ccnc1Cl)Br 62a_100000766300_100009814607 [0,1,0,0,0,0|3,0,0]=4 7074 B12R1.1631 COCSc1c(ccnc1Cl)Br 62a_100009814607_100000766300 [0,1,0,0,0,0|3,0,0]=4 7075 B12R1.1631 COCSc1c(ccnc1Cl)C 62a_100000766300_100010248874 [0,1,0,0,0,0|3,0,0]=4 7076 B12R1.1631 COCSc1c(ccnc1Cl)C 62a_100010248874_100000766300 [0,1,0,0,0,0|3,0,0]=4 7077 B12R1.1631 COCSc1c(ccnc1Cl)Cl 62a_100000050019_100000766300 [0,1,0,0,0,0|3,0,0]=4 7078 B12R1.1631 COCSc1c(ccnc1Cl)Cl 62a_100000766300_100000050019 [0,1,0,0,0,0|3,0,0]=4 7079 B12R1.1631 COCSc1c(ccnc1Cl)F 62a_100000716511_100000766300 [0,1,0,0,0,0|3,0,0]=4 7080 B12R1.1631 COCSc1c(ccnc1Cl)F 62a_100000766300_100000716511 [0,1,0,0,0,0|3,0,0]=4 7081 B12R1.1631 COCSc1c(ccnc1Cl)N 62a_100000766300_100010208016 [0,1,0,0,0,0|3,0,0]=4 7082 B12R1.1631 COCSc1c(ccnc1Cl)N 62a_100010208016_100000766300 [0,1,0,0,0,0|3,0,0]=4 7083 B12R1.1631 COCSc1c(ccnc1N)Cl 62a_100000766300_100010199028 [0,1,0,0,0,0|3,0,0]=4 7084 B12R1.1631 COCSc1c(ccnc1N)Cl 62a_100010199028_100000766300 [0,1,0,0,0,0|3,0,0]=4 7085 B12R1.1631 COCSc1c(cncc1Cl)Cl 62a_100000036193_100000766300 [0,1,0,0,0,0|3,0,0]=4 7086 B12R1.1631 COCSc1c(cncc1Cl)Cl 62a_100000766300_100000036193 [0,1,0,0,0,0|3,0,0]=4 7087 B12R1.1631 CSCCc1c(cccc1Cl)Cl 62a_100012161200_200000210301 [0,1,0,0,0,0|1,0,0]=2 7088 B12R1.1631 CSCCc1c(cccc1Cl)Cl 62a_200000210301_100012161200 [0,1,0,0,0,0|1,0,0]=2 7089 B12R1.1631 CSCNc1c(cccc1Br)Br 34a_100000690995_100011218213 [0,1,0,0,0,0|2,1,0]=4 7090 B12R1.1631 CSCNc1c(cccc1Br)C 34a_100011834072_100011218213 [0,1,0,0,0,0|2,1,0]=4 7091 B12R1.1631 CSCNc1c(cccc1Br)Cl 34a_100102946385_100011218213 [0,1,0,0,0,0|2,0,0]=3 7092 B12R1.1631 CSCNc1c(cccc1Br)F 34a_100000684712_100011218213 [0,1,0,0,0,0|2,1,0]=4 7093 B12R1.1631 CSCNc1c(cccc1Br)O 34a_100011934926_100011218213 [0,1,0,0,0,0|2,1,0]=4 7094 B12R1.1631 CSCNc1c(cccc1C)C 34a_100000185769_100011218213 [0,1,0,0,0,0|3,0,0]=4 7095 B12R1.1631 CSCNc1c(cccc1Cl)C 34a_100000756524_100011218213 [0,1,0,0,0,0|2,0,0]=3 7096 B12R1.1631 CSCNc1c(cccc1Cl)Cl 34a_100000210028_100011218213 [0,1,0,0,0,0|2,0,0]=3 7097 B12R1.1631 CSCNc1c(cccc1Cl)F 34a_100000760031_100011218213 [0,1,0,0,0,0|2,0,0]=3 7098 B12R1.1631 CSCNc1c(cccc1Cl)O 34a_100012022510_100011218213 [0,1,0,0,0,0|2,0,0]=3 7099 B12R1.1631 CSCNc1c(cccc1F)C 34a_100000766463_100011218213 [0,1,0,0,0,0|2,1,0]=4 7100 B12R1.1631 CSCNc1c(cccc1F)F 2230a_100000210704_100011218213 [0,1,0,0,0,0|2,1,0]=4 7101 B12R1.1631 CSCNc1c(cccc1F)F 34a_100000210704_100011218213 [0,1,0,0,0,0|2,1,0]=4 7102 B12R1.1631 CSCNc1c(cccc1F)O 34a_100020591140_100011218213 [0,1,0,0,0,0|2,1,0]=4 7103 B12R1.1631 CSCNc1c(cccc1I)F 34a_100000042321_100011218213 [0,1,0,0,0,0|2,1,0]=4 7104 B12R1.1631 CSCNc1c(cccc1O)C 34a_100000743429_100011218213 [0,1,0,0,0,0|3,0,0]=4 7105 B12R1.1631 CSCOc1c(cccc1Br)Br 34a_100000736428_100011218213 [0,1,0,0,0,0|2,1,0]=4 7106 B12R1.1631 CSCOc1c(cccc1Br)C 34a_100009817157_100011218213 [0,1,0,0,0,0|2,1,0]=4 7107 B12R1.1631 CSCOc1c(cccc1Br)Cl 34a_100010214474_100011218213 [0,1,0,0,0,0|2,0,0]=3 7108 B12R1.1631 CSCOc1c(cccc1Br)F 34a_100009813666_100011218213 [0,1,0,0,0,0|2,1,0]=4 7109 B12R1.1631 CSCOc1c(cccc1Br)N 34a_100011934915_100011218213 [0,1,0,0,0,0|2,1,0]=4 7110 B12R1.1631 CSCOc1c(cccc1C)C 34a_100000210341_100011218213 [0,1,0,0,0,0|3,0,0]=4 7111 B12R1.1631 CSCOc1c(cccc1Cl)C 34a_100000033731_100011218213 [0,1,0,0,0,0|2,0,0]=3 7112 B12R1.1631 CSCOc1c(cccc1Cl)Cl 34a_100000211709_100011218213 [0,1,0,0,0,0|2,0,0]=3 7113 B12R1.1631 CSCOc1c(cccc1Cl)F 34a_100000694953_100011218213 [0,1,0,0,0,0|2,0,0]=3 7114 B12R1.1631 CSCOc1c(cccc1Cl)N 34a_100000754742_100011218213 [0,1,0,0,0,0|2,0,0]=3 7115 B12R1.1631 CSCOc1c(cccc1F)C 34a_100011659162_100011218213 [0,1,0,0,0,0|2,1,0]=4 7116 B12R1.1631 CSCOc1c(cccc1F)F 34a_100000230165_100011218213 [0,1,0,0,0,0|2,1,0]=4 7117 B12R1.1631 CSCOc1c(cccc1F)N 34a_100011934987_100011218213 [0,1,0,0,0,0|2,1,0]=4 7118 B12R1.1631 CSCOc1c(cccc1I)Br 34a_100010084509_100011218213 [0,1,0,0,0,0|2,1,0]=4 7119 B12R1.1631 CSCOc1c(cccc1I)Cl 34a_100010202889_100011218213 [0,1,0,0,0,0|2,0,0]=3 7120 B12R1.1631 CSCOc1c(cccc1I)F 34a_100010186298_100011218213 [0,1,0,0,0,0|2,1,0]=4 7121 B12R1.1631 CSCOc1c(cccc1I)N 34a_100010084371_100011218213 [0,1,0,0,0,0|2,1,0]=4 7122 B12R1.1631 CSCOc1c(cccc1N)C 34a_100000756359_100011218213 [0,1,0,0,0,0|3,0,0]=4 7123 B12R1.1631 CSCOc1c(cccc1N)N 34a_200016994477_100011218213 [0,1,0,0,0,0|3,0,0]=4 7124 B12R1.1631 CSCOc1c(ccnc1Cl)C 34a_100000696282_100011218213 [0,1,0,0,0,0|3,0,0]=4 7125 B12R1.1631 CSCOc1c(ccnc1Cl)Cl 34a_100000118450_100011218213 [0,1,0,0,0,0|3,0,0]=4 7126 B12R1.1631 CSCOc1c(ccnc1Cl)F 34a_100009867227_100011218213 [0,1,0,0,0,0|3,0,0]=4 7127 B12R1.1631 CSCOc1c(ccnc1Cl)I 34a_100010067911_100011218213 [0,1,0,0,0,0|3,0,0]=4 7128 B12R1.1631 CSCOc1c(ccnc1Cl)N 34a_100009844647_100011218213 [0,1,0,0,0,0|3,0,0]=4 7129 B12R1.1631 CSCSc1c(cccc1Br)Br 62a_100009994525_100011218213 [0,1,0,0,0,0|2,1,0]=4 7130 B12R1.1631 CSCSc1c(cccc1Br)Br 62a_100011218213_100009994525 [0,1,0,0,0,0|2,1,0]=4 7131 B12R1.1631 CSCSc1c(cccc1Br)C 62a_100010141302_100011218213 [0,1,0,0,0,0|2,1,0]=4 7132 B12R1.1631 CSCSc1c(cccc1Br)C 62a_100011218213_100010141302 [0,1,0,0,0,0|2,1,0]=4 7133 B12R1.1631 CSCSc1c(cccc1Br)Cl 62a_100010214488_100011218213 [0,1,0,0,0,0|2,0,0]=3 7134 B12R1.1631 CSCSc1c(cccc1Br)Cl 62a_100011218213_100010214488 [0,1,0,0,0,0|2,0,0]=3 7135 B12R1.1631 CSCSc1c(cccc1Br)F 62a_100011218213_100011219512 [0,1,0,0,0,0|2,1,0]=4 7136 B12R1.1631 CSCSc1c(cccc1Br)F 62a_100011219512_100011218213 [0,1,0,0,0,0|2,1,0]=4 7137 B12R1.1631 CSCSc1c(cccc1Br)N 62a_100011218213_100020590159 [0,1,0,0,0,0|2,1,0]=4 7138 B12R1.1631 CSCSc1c(cccc1Br)N 62a_100020590159_100011218213 [0,1,0,0,0,0|2,1,0]=4 7139 B12R1.1631 CSCSc1c(cccc1Br)O 62a_100010187912_100011218213 [0,1,0,0,0,0|2,1,0]=4 7140 B12R1.1631 CSCSc1c(cccc1Br)O 62a_100011218213_100010187912 [0,1,0,0,0,0|2,1,0]=4 7141 B12R1.1631 CSCSc1c(cccc1C)C 62a_100000033847_100011218213 [0,1,0,0,0,0|3,0,0]=4 7142 B12R1.1631 CSCSc1c(cccc1C)C 62a_100011218213_100000033847 [0,1,0,0,0,0|3,0,0]=4 7143 B12R1.1631 CSCSc1c(cccc1Cl)C 62a_100000043165_100011218213 [0,1,0,0,0,0|2,0,0]=3 7144 B12R1.1631 CSCSc1c(cccc1Cl)C 62a_100011218213_100000043165 [0,1,0,0,0,0|2,0,0]=3 7145 B12R1.1631 CSCSc1c(cccc1Cl)Cl 62a_100000034237_100011218213 [0,1,0,0,0,0|2,0,0]=3 7146 B12R1.1631 CSCSc1c(cccc1Cl)Cl 62a_100011218213_100000034237 [0,1,0,0,0,0|2,0,0]=3 7147 B12R1.1631 CSCSc1c(cccc1Cl)F 62a_100000050007_100011218213 [0,1,0,0,0,0|2,0,0]=3 7148 B12R1.1631 CSCSc1c(cccc1Cl)F 62a_100011218213_100000050007 [0,1,0,0,0,0|2,0,0]=3 7149 B12R1.1631 CSCSc1c(cccc1Cl)N 62a_100000049713_100011218213 [0,1,0,0,0,0|2,0,0]=3 7150 B12R1.1631 CSCSc1c(cccc1Cl)N 62a_100011218213_100000049713 [0,1,0,0,0,0|2,0,0]=3 7151 B12R1.1631 CSCSc1c(cccc1Cl)O 62a_100011218213_100000050174 [0,1,0,0,0,0|2,0,0]=3 7152 B12R1.1631 CSCSc1c(cccc1F)C 62a_100011218213_100011218421 [0,1,0,0,0,0|2,1,0]=4 7153 B12R1.1631 CSCSc1c(cccc1F)C 62a_100011218421_100011218213 [0,1,0,0,0,0|2,1,0]=4 7154 B12R1.1631 CSCSc1c(cccc1F)F 62a_100000693133_100011218213 [0,1,0,0,0,0|2,1,0]=4 7155 B12R1.1631 CSCSc1c(cccc1F)F 62a_100011218213_100000693133 [0,1,0,0,0,0|2,1,0]=4 7156 B12R1.1631 CSCSc1c(cccc1F)N 62a_100000690935_100011218213 [0,1,0,0,0,0|2,1,0]=4 7157 B12R1.1631 CSCSc1c(cccc1F)N 62a_100011218213_100000690935 [0,1,0,0,0,0|2,1,0]=4 7158 B12R1.1631 CSCSc1c(cccc1F)O 62a_100009820682_100011218213 [0,1,0,0,0,0|2,1,0]=4 7159 B12R1.1631 CSCSc1c(cccc1F)O 62a_100011218213_100009820682 [0,1,0,0,0,0|2,1,0]=4 7160 B12R1.1631 CSCSc1c(cccc1N)C 62a_100000684715_100011218213 [0,1,0,0,0,0|3,0,0]=4 7161 B12R1.1631 CSCSc1c(cccc1N)C 62a_100011218213_100000684715 [0,1,0,0,0,0|3,0,0]=4 7162 B12R1.1631 CSCSc1c(cccc1O)C 62a_100000686692_100011218213 [0,1,0,0,0,0|3,0,0]=4 7163 B12R1.1631 CSCSc1c(cccc1O)C 62a_100011218213_100000686692 [0,1,0,0,0,0|3,0,0]=4 7164 B12R1.1631 CSCSc1c(cccc1O)N 62a_100011218213_100012183704 [0,1,0,0,0,0|3,0,0]=4 7165 B12R1.1631 CSCSc1c(cccc1O)N 62a_100012183704_100011218213 [0,1,0,0,0,0|3,0,0]=4 7166 B12R1.1631 CSCSc1c(cccc1O)O 62a_100011218213_100010205330 [0,1,0,0,0,0|3,0,0]=4 7167 B12R1.1631 CSCSc1c(ccnc1Cl)Br 62a_100009814607_100011218213 [0,1,0,0,0,0|3,0,0]=4 7168 B12R1.1631 CSCSc1c(ccnc1Cl)Br 62a_100011218213_100009814607 [0,1,0,0,0,0|3,0,0]=4 7169 B12R1.1631 CSCSc1c(ccnc1Cl)C 62a_100010248874_100011218213 [0,1,0,0,0,0|3,0,0]=4 7170 B12R1.1631 CSCSc1c(ccnc1Cl)C 62a_100011218213_100010248874 [0,1,0,0,0,0|3,0,0]=4 7171 B12R1.1631 CSCSc1c(ccnc1Cl)Cl 62a_100000050019_100011218213 [0,1,0,0,0,0|3,0,0]=4 7172 B12R1.1631 CSCSc1c(ccnc1Cl)Cl 62a_100011218213_100000050019 [0,1,0,0,0,0|3,0,0]=4 7173 B12R1.1631 CSCSc1c(ccnc1Cl)F 62a_100000716511_100011218213 [0,1,0,0,0,0|3,0,0]=4 7174 B12R1.1631 CSCSc1c(ccnc1Cl)F 62a_100011218213_100000716511 [0,1,0,0,0,0|3,0,0]=4 7175 B12R1.1631 CSCSc1c(ccnc1Cl)N 62a_100010208016_100011218213 [0,1,0,0,0,0|3,0,0]=4 7176 B12R1.1631 CSCSc1c(ccnc1Cl)N 62a_100011218213_100010208016 [0,1,0,0,0,0|3,0,0]=4 7177 B12R1.1631 CSCSc1c(ccnc1N)Cl 62a_100010199028_100011218213 [0,1,0,0,0,0|3,0,0]=4 7178 B12R1.1631 CSCSc1c(ccnc1N)Cl 62a_100011218213_100010199028 [0,1,0,0,0,0|3,0,0]=4 7179 B12R1.1631 CSCSc1c(cncc1Cl)Cl 62a_100000036193_100011218213 [0,1,0,0,0,0|3,0,0]=4 7180 B12R1.1631 CSCSc1c(cncc1Cl)Cl 62a_100011218213_100000036193 [0,1,0,0,0,0|3,0,0]=4 7181 B12R1.1631 Cc1cccc(c1COCF)Cl 34a_100000082531_100015361967 [0,1,0,0,0,0|3,0,0]=4 7182 B12R1.1631 Cc1cccc(c1COCF)Cl 7a_100000082531_100015361967 [0,1,0,0,0,0|3,0,0]=4 7183 B12R1.1631 Cc1cccc(c1NCC=O)Cl 34a_100000756524_200009817547 [0,1,0,0,0,0|3,0,0]=4 7184 B12R1.1631 Cc1cccc(c1NCCF)Cl 34a_100000756524_100011217306 [0,1,0,0,0,0|3,0,0]=4 7185 B12R1.1631 Cc1cccc(c1NCCO)Cl 34a_100000756524_100000211926 [0,1,0,0,0,0|3,0,0]=4 7186 B12R1.1631 Cc1cccc(c1OCC#N)Cl 7a_100000033731_100011215382 [0,1,0,0,0,0|3,0,0]=4 7187 B12R1.1631 Cc1cccc(c1OCC=O)Cl 34a_100000033731_200009817547 [0,1,0,0,0,0|3,0,0]=4 7188 B12R1.1631 Cc1cccc(c1OCC=O)Cl 7a_100000033731_200015260668 [0,1,0,0,0,0|3,0,0]=4 7189 B12R1.1631 Cc1cccc(c1OCCF)Cl 34a_100000033731_100011217306 [0,1,0,0,0,0|3,0,0]=4 7190 B12R1.1631 Cc1cccc(c1OCCF)Cl 7a_100000033731_100011217306 [0,1,0,0,0,0|3,0,0]=4 7191 B12R1.1631 Cc1cccc(c1OCCO)Cl 34a_100000033731_100000211926 [0,1,0,0,0,0|3,0,0]=4 7192 B12R1.1631 Cc1cccc(c1OCCO)Cl 7a_100000033731_100000211926 [0,1,0,0,0,0|3,0,0]=4 7193 B12R1.1631 Cc1cccc(c1SCC#N)Cl 62a_100000043165_100011215382 [0,1,0,0,0,0|3,0,0]=4 7194 B12R1.1631 Cc1cccc(c1SCC#N)Cl 62a_100011215382_100000043165 [0,1,0,0,0,0|3,0,0]=4 7195 B12R1.1631 Cc1cccc(c1SCC=O)Cl 62a_100000043165_200015260668 [0,1,0,0,0,0|3,0,0]=4 7196 B12R1.1631 Cc1cccc(c1SCC=O)Cl 62a_200015260668_100000043165 [0,1,0,0,0,0|3,0,0]=4 7197 B12R1.1631 Cc1cccc(c1SCCF)Cl 62a_100000043165_100011217306 [0,1,0,0,0,0|3,0,0]=4 7198 B12R1.1631 Cc1cccc(c1SCCF)Cl 62a_100011217306_100000043165 [0,1,0,0,0,0|3,0,0]=4 7199 B12R1.1631 Cc1cccc(c1SCCO)Cl 62a_100000043165_100000211926 [0,1,0,0,0,0|3,0,0]=4 7200 B12R1.1631 Cc1cccc(c1SCCO)Cl 62a_100000211926_100000043165 [0,1,0,0,0,0|3,0,0]=4 7201 B12R1.1631 FCCNc1c(cccc1Br)Cl 34a_100102946385_100011217306 [0,1,0,0,0,0|3,0,0]=4 7202 B12R1.1631 FCCNc1c(cccc1Cl)Cl 34a_100000210028_100011217306 [0,1,0,0,0,0|3,0,0]=4 7203 B12R1.1631 FCCNc1c(cccc1Cl)F 34a_100000760031_100011217306 [0,1,0,0,0,0|3,0,0]=4 7204 B12R1.1631 FCCOc1c(cccc1Br)Cl 34a_100010214474_100011217306 [0,1,0,0,0,0|3,0,0]=4 7205 B12R1.1631 FCCOc1c(cccc1Br)Cl 7a_100010214474_100011217306 [0,1,0,0,0,0|3,0,0]=4 7206 B12R1.1631 FCCOc1c(cccc1Cl)Cl 34a_100000211709_100011217306 [0,1,0,0,0,0|3,0,0]=4 7207 B12R1.1631 FCCOc1c(cccc1Cl)Cl 7a_100000211709_100011217306 [0,1,0,0,0,0|3,0,0]=4 7208 B12R1.1631 FCCOc1c(cccc1Cl)F 34a_100000694953_100011217306 [0,1,0,0,0,0|3,0,0]=4 7209 B12R1.1631 FCCOc1c(cccc1Cl)F 7a_100000694953_100011217306 [0,1,0,0,0,0|3,0,0]=4 7210 B12R1.1631 FCCOc1c(cccc1I)Cl 34a_100010202889_100011217306 [0,1,0,0,0,0|3,0,0]=4 7211 B12R1.1631 FCCOc1c(cccc1I)Cl 7a_100010202889_100011217306 [0,1,0,0,0,0|3,0,0]=4 7212 B12R1.1631 FCCSc1c(cccc1Br)Cl 62a_100010214488_100011217306 [0,1,0,0,0,0|3,0,0]=4 7213 B12R1.1631 FCCSc1c(cccc1Br)Cl 62a_100011217306_100010214488 [0,1,0,0,0,0|3,0,0]=4 7214 B12R1.1631 FCCSc1c(cccc1Cl)Cl 62a_100000034237_100011217306 [0,1,0,0,0,0|3,0,0]=4 7215 B12R1.1631 FCCSc1c(cccc1Cl)Cl 62a_100011217306_100000034237 [0,1,0,0,0,0|3,0,0]=4 7216 B12R1.1631 FCCSc1c(cccc1Cl)F 62a_100000050007_100011217306 [0,1,0,0,0,0|3,0,0]=4 7217 B12R1.1631 FCCSc1c(cccc1Cl)F 62a_100011217306_100000050007 [0,1,0,0,0,0|3,0,0]=4 7218 B12R1.1631 FCNCc1c(cccc1Cl)Cl 34a_100000174884_100015361967 [0,1,0,0,0,0|3,0,0]=4 7219 B12R1.1631 FCNCc1c(cccc1Cl)F 34a_100000174883_100015361967 [0,1,0,0,0,0|3,0,0]=4 7220 B12R1.1631 FCOCc1c(cccc1Cl)Cl 34a_100000215722_100015361967 [0,1,0,0,0,0|3,0,0]=4 7221 B12R1.1631 FCOCc1c(cccc1Cl)Cl 7a_100000215722_100015361967 [0,1,0,0,0,0|3,0,0]=4 7222 B12R1.1631 FCOCc1c(cccc1Cl)F 34a_100000215723_100015361967 [0,1,0,0,0,0|3,0,0]=4 7223 B12R1.1631 FCOCc1c(cccc1Cl)F 7a_100000215723_100015361967 [0,1,0,0,0,0|3,0,0]=4 7224 B12R1.1631 FCSCc1c(cccc1Br)Cl 62a_100010138402_100015361967 [0,1,0,0,0,0|3,0,0]=4 7225 B12R1.1631 FCSCc1c(cccc1Br)Cl 62a_100015361967_100010138402 [0,1,0,0,0,0|3,0,0]=4 7226 B12R1.1631 FCSCc1c(cccc1Cl)Cl 62a_100000187851_100015361967 [0,1,0,0,0,0|3,0,0]=4 7227 B12R1.1631 FCSCc1c(cccc1Cl)Cl 62a_100015361967_100000187851 [0,1,0,0,0,0|3,0,0]=4 7228 B12R1.1631 FCSCc1c(cccc1Cl)F 62a_100000187852_100015361967 [0,1,0,0,0,0|3,0,0]=4 7229 B12R1.1631 FCSCc1c(cccc1Cl)F 62a_100015361967_100000187852 [0,1,0,0,0,0|3,0,0]=4 7230 B12R1.1631 N#CCOc1c(cccc1Br)Cl 7a_100010214474_100011215382 [0,1,0,0,0,0|3,0,0]=4 7231 B12R1.1631 N#CCOc1c(cccc1Cl)Cl 7a_100000211709_100011215382 [0,1,0,0,0,0|3,0,0]=4 7232 B12R1.1631 N#CCOc1c(cccc1Cl)F 7a_100000694953_100011215382 [0,1,0,0,0,0|3,0,0]=4 7233 B12R1.1631 N#CCOc1c(cccc1I)Cl 7a_100010202889_100011215382 [0,1,0,0,0,0|3,0,0]=4 7234 B12R1.1631 N#CCSc1c(cccc1Br)Cl 62a_100010214488_100011215382 [0,1,0,0,0,0|3,0,0]=4 7235 B12R1.1631 N#CCSc1c(cccc1Br)Cl 62a_100011215382_100010214488 [0,1,0,0,0,0|3,0,0]=4 7236 B12R1.1631 N#CCSc1c(cccc1Cl)Cl 62a_100000034237_100011215382 [0,1,0,0,0,0|3,0,0]=4 7237 B12R1.1631 N#CCSc1c(cccc1Cl)Cl 62a_100011215382_100000034237 [0,1,0,0,0,0|3,0,0]=4 7238 B12R1.1631 N#CCSc1c(cccc1Cl)F 62a_100000050007_100011215382 [0,1,0,0,0,0|3,0,0]=4 7239 B12R1.1631 N#CCSc1c(cccc1Cl)F 62a_100011215382_100000050007 [0,1,0,0,0,0|3,0,0]=4 7240 B12R1.1631 N#CCSc1c(cccc1Cl)N 62a_100000049713_100011215382 [0,1,0,0,0,0|3,0,0]=4 7241 B12R1.1631 N#CCSc1c(cccc1Cl)N 62a_100011215382_100000049713 [0,1,0,0,0,0|3,0,0]=4 7242 B12R1.1631 N#CCSc1c(cccc1Cl)O 62a_100011215382_100000050174 [0,1,0,0,0,0|3,0,0]=4 7243 B12R1.1631 Nc1cccc(c1COCF)Cl 34a_100011916388_100015361967 [0,1,0,0,0,0|3,0,0]=4 7244 B12R1.1631 Nc1cccc(c1OCC=O)Cl 34a_100000754742_200009817547 [0,1,0,0,0,0|3,0,0]=4 7245 B12R1.1631 Nc1cccc(c1OCCF)Cl 34a_100000754742_100011217306 [0,1,0,0,0,0|3,0,0]=4 7246 B12R1.1631 Nc1cccc(c1OCCO)Cl 34a_100000754742_100000211926 [0,1,0,0,0,0|3,0,0]=4 7247 B12R1.1631 Nc1cccc(c1SCC=O)Cl 62a_100000049713_200015260668 [0,1,0,0,0,0|3,0,0]=4 7248 B12R1.1631 Nc1cccc(c1SCC=O)Cl 62a_200015260668_100000049713 [0,1,0,0,0,0|3,0,0]=4 7249 B12R1.1631 Nc1cccc(c1SCCF)Cl 62a_100000049713_100011217306 [0,1,0,0,0,0|3,0,0]=4 7250 B12R1.1631 Nc1cccc(c1SCCF)Cl 62a_100011217306_100000049713 [0,1,0,0,0,0|3,0,0]=4 7251 B12R1.1631 Nc1cccc(c1SCCO)Cl 62a_100000049713_100000211926 [0,1,0,0,0,0|3,0,0]=4 7252 B12R1.1631 Nc1cccc(c1SCCO)Cl 62a_100000211926_100000049713 [0,1,0,0,0,0|3,0,0]=4 7253 B12R1.1631 O=CCNc1c(cccc1Br)Cl 34a_100102946385_200009817547 [0,1,0,0,0,0|3,0,0]=4 7254 B12R1.1631 O=CCNc1c(cccc1Cl)Cl 34a_100000210028_200009817547 [0,1,0,0,0,0|3,0,0]=4 7255 B12R1.1631 O=CCNc1c(cccc1Cl)F 34a_100000760031_200009817547 [0,1,0,0,0,0|3,0,0]=4 7256 B12R1.1631 O=CCNc1c(cccc1Cl)O 34a_100012022510_200009817547 [0,1,0,0,0,0|3,0,0]=4 7257 B12R1.1631 O=CCOc1c(cccc1Br)Cl 34a_100010214474_200009817547 [0,1,0,0,0,0|3,0,0]=4 7258 B12R1.1631 O=CCOc1c(cccc1Br)Cl 7a_100010214474_200015260668 [0,1,0,0,0,0|3,0,0]=4 7259 B12R1.1631 O=CCOc1c(cccc1Cl)Cl 34a_100000211709_200009817547 [0,1,0,0,0,0|3,0,0]=4 7260 B12R1.1631 O=CCOc1c(cccc1Cl)Cl 7a_100000211709_200015260668 [0,1,0,0,0,0|3,0,0]=4 7261 B12R1.1631 O=CCOc1c(cccc1Cl)F 34a_100000694953_200009817547 [0,1,0,0,0,0|3,0,0]=4 7262 B12R1.1631 O=CCOc1c(cccc1Cl)F 7a_100000694953_200015260668 [0,1,0,0,0,0|3,0,0]=4 7263 B12R1.1631 O=CCOc1c(cccc1I)Cl 34a_100010202889_200009817547 [0,1,0,0,0,0|3,0,0]=4 7264 B12R1.1631 O=CCOc1c(cccc1I)Cl 7a_100010202889_200015260668 [0,1,0,0,0,0|3,0,0]=4 7265 B12R1.1631 O=CCSc1c(cccc1Br)Cl 62a_100010214488_200015260668 [0,1,0,0,0,0|3,0,0]=4 7266 B12R1.1631 O=CCSc1c(cccc1Br)Cl 62a_200015260668_100010214488 [0,1,0,0,0,0|3,0,0]=4 7267 B12R1.1631 O=CCSc1c(cccc1Cl)Cl 62a_100000034237_200015260668 [0,1,0,0,0,0|3,0,0]=4 7268 B12R1.1631 O=CCSc1c(cccc1Cl)Cl 62a_200015260668_100000034237 [0,1,0,0,0,0|3,0,0]=4 7269 B12R1.1631 O=CCSc1c(cccc1Cl)F 62a_100000050007_200015260668 [0,1,0,0,0,0|3,0,0]=4 7270 B12R1.1631 O=CCSc1c(cccc1Cl)F 62a_200015260668_100000050007 [0,1,0,0,0,0|3,0,0]=4 7271 B12R1.1631 O=CCSc1c(cccc1Cl)O 62a_200015260668_100000050174 [0,1,0,0,0,0|3,0,0]=4 7272 B12R1.1631 OCCCc1c(cccc1F)O 271570a_203496583355_100021413403 [0,1,0,0,0,0|2,1,0]=4 7273 B12R1.1631 OCCNc1c(cccc1Br)Cl 34a_100102946385_100000211926 [0,1,0,0,0,0|3,0,0]=4 7274 B12R1.1631 OCCNc1c(cccc1Cl)Cl 34a_100000210028_100000211926 [0,1,0,0,0,0|3,0,0]=4 7275 B12R1.1631 OCCNc1c(cccc1Cl)F 34a_100000760031_100000211926 [0,1,0,0,0,0|3,0,0]=4 7276 B12R1.1631 OCCNc1c(cccc1Cl)O 34a_100012022510_100000211926 [0,1,0,0,0,0|3,0,0]=4 7277 B12R1.1631 OCCOc1c(cccc1Br)Cl 34a_100010214474_100000211926 [0,1,0,0,0,0|3,0,0]=4 7278 B12R1.1631 OCCOc1c(cccc1Br)Cl 7a_100010214474_100000211926 [0,1,0,0,0,0|3,0,0]=4 7279 B12R1.1631 OCCOc1c(cccc1Cl)Cl 34a_100000211709_100000211926 [0,1,0,0,0,0|3,0,0]=4 7280 B12R1.1631 OCCOc1c(cccc1Cl)Cl 7a_100000211709_100000211926 [0,1,0,0,0,0|3,0,0]=4 7281 B12R1.1631 OCCOc1c(cccc1Cl)F 34a_100000694953_100000211926 [0,1,0,0,0,0|3,0,0]=4 7282 B12R1.1631 OCCOc1c(cccc1Cl)F 7a_100000694953_100000211926 [0,1,0,0,0,0|3,0,0]=4 7283 B12R1.1631 OCCOc1c(cccc1I)Cl 34a_100010202889_100000211926 [0,1,0,0,0,0|3,0,0]=4 7284 B12R1.1631 OCCOc1c(cccc1I)Cl 7a_100010202889_100000211926 [0,1,0,0,0,0|3,0,0]=4 7285 B12R1.1631 OCCSc1c(cccc1Br)Cl 62a_100000211926_100010214488 [0,1,0,0,0,0|3,0,0]=4 7286 B12R1.1631 OCCSc1c(cccc1Br)Cl 62a_100010214488_100000211926 [0,1,0,0,0,0|3,0,0]=4 7287 B12R1.1631 OCCSc1c(cccc1Cl)Cl 62a_100000034237_100000211926 [0,1,0,0,0,0|3,0,0]=4 7288 B12R1.1631 OCCSc1c(cccc1Cl)Cl 62a_100000211926_100000034237 [0,1,0,0,0,0|3,0,0]=4 7289 B12R1.1631 OCCSc1c(cccc1Cl)F 62a_100000050007_100000211926 [0,1,0,0,0,0|3,0,0]=4 7290 B12R1.1631 OCCSc1c(cccc1Cl)F 62a_100000211926_100000050007 [0,1,0,0,0,0|3,0,0]=4 7291 B12R1.1631 OCCSc1c(cccc1Cl)O 62a_100000211926_100000050174 [0,1,0,0,0,0|3,0,0]=4 7292 B12R1.1631 Oc1cccc(c1NCCF)Cl 34a_100012022510_100011217306 [0,1,0,0,0,0|3,0,0]=4 7293 B12R1.1631 Oc1cccc(c1SCCF)Cl 62a_100011217306_100000050174 [0,1,0,0,0,0|3,0,0]=4 7294 B12R1.1631 [13CH3]NCCc1c(cccc1Cl)Cl 2230a_100032004868_200025704644 [0,1,0,0,0,0|0,0,0]=1 7295 B12R1.1631 [13CH3]NCCc1c(cccc1Cl)Cl 34a_100032004868_200025704644 [0,1,0,0,0,0|0,0,0]=1 7296 B12R1.1631 [13CH3]NCCc1c(cccc1Cl)F 2230a_100000688150_200025704644 [0,1,0,0,0,0|0,0,0]=1 7297 B12R1.1631 [13CH3]NCCc1c(cccc1Cl)F 34a_100000688150_200025704644 [0,1,0,0,0,0|0,0,0]=1 7298 B12R1.1631 [13CH3]OCCc1c(cccc1Cl)Cl 34a_100011934077_200025704644 [0,1,0,0,0,0|1,0,0]=2 7299 B12R1.1631 [13CH3]OCCc1c(cccc1Cl)Cl 7a_100011934077_200025704644 [0,1,0,0,0,0|1,0,0]=2 7300 B12R1.1631 [13CH3]OCCc1c(cccc1Cl)F 34a_100011273940_200025704644 [0,1,0,0,0,0|1,0,0]=2 7301 B12R1.1631 [13CH3]OCCc1c(cccc1Cl)F 7a_100011273940_200025704644 [0,1,0,0,0,0|1,0,0]=2 7302 B12R1.1631 [13CH3]OCCc1c(cccc1F)F 34a_100011975733_200025704644 [0,1,0,0,0,0|1,1,0]=3 7303 B12R1.1631 [13CH3]OCCc1c(cccc1F)F 7a_100011975733_200025704644 [0,1,0,0,0,0|1,1,0]=3 7304 B12R1.1631 [13CH3]SCCc1c(cccc1Cl)Cl 62a_100012161200_200025704644 [0,1,0,0,0,0|1,0,0]=2 7305 B12R1.1631 [13CH3]SCCc1c(cccc1Cl)Cl 62a_200025704644_100012161200 [0,1,0,0,0,0|1,0,0]=2 7306 B10R0.91 C=CC=CC(=O)CCCCC 1458a_100016291481_100000210326 [0,0,1,0,0,0|2,0,1]=4 7307 B10R0.91 C=CC=CC(=O)CCCOC 1458a_100016291481_100000740836 [0,0,1,0,0,0|2,0,1]=4 7308 B10R0.91 C=CC=CC(=O)NCCCC 1626a_100000102301_100016291481 [0,0,1,0,0,0|3,0,0]=4 7309 B10R0.91 C=CC=CC(=O)NCCOC 1626a_100000209980_100016291481 [0,0,1,0,0,0|3,0,0]=4 7310 B10R0.91 C=CC=CC(=O)NCCSC 1626a_100020590264_100016291481 [0,0,1,0,0,0|3,0,0]=4 7311 B12R2.24 CN1CCc2ccccc2C1 2230a_100000188457_200000210301 [0,0,0,1,0,0|1,0,0]=2 7312 B12R2.24 CN1CCc2ccccc2C1 269982a_100000188457_200000210301 [0,0,0,1,0,0|1,0,0]=2 7313 B12R2.24 CN1CCc2ccccc2C1 34a_100000188457_200000210301 [0,0,0,1,0,0|1,0,0]=2 7314 B12R2.24 CN1CCc2cccnc2C1 2230a_100015206102_200000210301 [0,0,0,1,0,0|2,0,0]=3 7315 B12R2.24 CN1CCc2cccnc2C1 269982a_100015206102_200000210301 [0,0,0,1,0,0|2,0,0]=3 7316 B12R2.24 CN1CCc2ccncc2C1 2230a_100015190008_200000210301 [0,0,0,1,0,0|2,0,0]=3 7317 B12R2.24 CN1CCc2ccncc2C1 269982a_100015190008_200000210301 [0,0,0,1,0,0|2,0,0]=3 7318 B12R2.24 CN1CCc2cnccc2C1 2230a_100020645890_200000210301 [0,0,0,1,0,0|2,0,0]=3 7319 B12R2.24 CN1CCc2cnccc2C1 269982a_100020645890_200000210301 [0,0,0,1,0,0|2,0,0]=3 7320 B12R2.24 CN1CCc2ncccc2C1 2230a_100000699647_200000210301 [0,0,0,1,0,0|2,0,0]=3 7321 B12R2.24 CN1CCc2ncccc2C1 269982a_100000699647_200000210301 [0,0,0,1,0,0|2,0,0]=3 7322 B12R2.24 CN1CCc2ncncc2C1 2230a_100012000121_200000210301 [0,0,0,1,0,0|3,0,0]=4 7323 B12R2.24 CN1CCc2ncncc2C1 269982a_100012000121_200000210301 [0,0,0,1,0,0|3,0,0]=4 7324 B12R2.24 [13CH3]N1CCc2ccccc2C1 2230a_100000188457_200025704644 [0,0,0,1,0,0|1,0,0]=2 7325 B12R2.24 [13CH3]N1CCc2ccccc2C1 269982a_100000188457_200025704644 [0,0,0,1,0,0|1,0,0]=2 7326 B12R2.24 [13CH3]N1CCc2ccccc2C1 34a_100000188457_200025704644 [0,0,0,1,0,0|1,0,0]=2 7327 B12R2.24 [13CH3]N1CCc2cccnc2C1 2230a_100015206102_200025704644 [0,0,0,1,0,0|2,0,0]=3 7328 B12R2.24 [13CH3]N1CCc2cccnc2C1 269982a_100015206102_200025704644 [0,0,0,1,0,0|2,0,0]=3 7329 B12R2.24 [13CH3]N1CCc2ccncc2C1 2230a_100015190008_200025704644 [0,0,0,1,0,0|2,0,0]=3 7330 B12R2.24 [13CH3]N1CCc2ccncc2C1 269982a_100015190008_200025704644 [0,0,0,1,0,0|2,0,0]=3 7331 B12R2.24 [13CH3]N1CCc2cnccc2C1 2230a_100020645890_200025704644 [0,0,0,1,0,0|2,0,0]=3 7332 B12R2.24 [13CH3]N1CCc2cnccc2C1 269982a_100020645890_200025704644 [0,0,0,1,0,0|2,0,0]=3 7333 B12R2.24 [13CH3]N1CCc2ncccc2C1 2230a_100000699647_200025704644 [0,0,0,1,0,0|2,0,0]=3 7334 B12R2.24 [13CH3]N1CCc2ncccc2C1 269982a_100000699647_200025704644 [0,0,0,1,0,0|2,0,0]=3 7335 B12R2.24 [13CH3]N1CCc2ncncc2C1 2230a_100012000121_200025704644 [0,0,0,1,0,0|3,0,0]=4 7336 B12R2.24 [13CH3]N1CCc2ncncc2C1 269982a_100012000121_200025704644 [0,0,0,1,0,0|3,0,0]=4 7337 B12R2.32 CCN1Cc2ccccc2C1 2230a_100000752595_100000210202 [0,0,0,1,0,0|3,0,0]=4 7338 B12R2.32 CCN1Cc2ccccc2C1 269982a_100000752595_100000204670 [0,0,0,1,0,0|3,0,0]=4 7339 B12R2.32 CCN1Cc2ccccc2C1 34a_100000752595_100000210202 [0,0,0,1,0,0|3,0,0]=4 7340 B12R2.32 CNC1Cc2ccccc2C1 2230a_100000753258_200000210301 [0,0,0,1,0,0|1,0,0]=2 7341 B12R2.32 CNC1Cc2ccccc2C1 34a_100000753258_200000210301 [0,0,0,1,0,0|1,0,0]=2 7342 B12R2.32 CNC1Cc2ccccc2C1 34a_100102657272_100000753484 [0,0,0,1,0,0|1,0,0]=2 7343 B12R2.32 CNC1Cc2ccccc2C1 7a_106832991635_100000753484 [0,0,0,1,0,0|1,0,0]=2 7344 B12R2.32 CNc1nc2ccccc2[nH]1 27a_100102657272_100009814255 [0,0,0,1,0,0|2,0,1]=4 7345 B12R2.32 CNc1nc2ccccc2s1 27a_100102657272_100000751744 [0,0,0,1,0,0|2,0,1]=4 7346 B12R2.32 COC1Cc2ccccc2C1 34a_100011215286_200000210301 [0,0,0,1,0,0|2,0,0]=3 7347 B12R2.32 COC1Cc2ccccc2C1 34a_100138415774_100000753484 [0,0,0,1,0,0|2,0,0]=3 7348 B12R2.32 CSC1Cc2ccccc2C1 62a_200000210301_100000753484 [0,0,0,1,0,0|2,0,0]=3 7349 B12R2.32 [13CH3]NC1Cc2ccccc2C1 2230a_100000753258_200025704644 [0,0,0,1,0,0|1,0,0]=2 7350 B12R2.32 [13CH3]NC1Cc2ccccc2C1 34a_100000753258_200025704644 [0,0,0,1,0,0|1,0,0]=2 7351 B12R2.32 [13CH3]OC1Cc2ccccc2C1 34a_100011215286_200025704644 [0,0,0,1,0,0|2,0,0]=3 7352 B12R2.32 [13CH3]SC1Cc2ccccc2C1 62a_200025704644_100000753484 [0,0,0,1,0,0|2,0,0]=3 7353 B12R2.196 Cn1ccc2c1cccc2O 271570a_203496583355_200011934935 [0,0,0,1,0,0|1,0,2]=4 7354 B12R2.196 Cn1cnc2c1cccc2O 271570a_203496583355_100000696766 [0,0,0,1,0,0|2,0,1]=4 7355 B12R2.196 Cn1ncc2c1cccc2O 271570a_203496583355_100009817161 [0,0,0,1,0,0|2,0,1]=4 7356 B12R2.196 NC1CCc2c1cccc2O 271570a_203496583355_100000751068 [0,0,0,1,0,0|3,0,0]=4 7357 B12R2.196 O=C1CCc2c1cccc2O 271570a_203496583355_100000744605 [0,0,0,1,0,0|3,0,0]=4 7358 B12R2.196 Oc1cccc2c1CC[C@@H]2O 271570a_203496583355_100010080924 [0,0,0,1,0,0|3,0,0]=4 7359 B12R2.225 Brc1ccccc1NC2CC2 34a_100000210017_100000211595 [0,0,0,1,0,0|2,1,0]=4 7360 B12R2.225 Brc1ccccc1OC2CC2 34a_100000181306_100000211595 [0,0,0,1,0,0|2,1,0]=4 7361 B12R2.225 Brc1ccccc1SC2CC2 62a_100000695589_100000211595 [0,0,0,1,0,0|2,1,0]=4 7362 B12R2.225 Cc1ccccc1NC2CC2 34a_100015192222_100000211595 [0,0,0,1,0,0|3,0,0]=4 7363 B12R2.225 Cc1ccccc1OC2CC2 34a_100000210338_100000211595 [0,0,0,1,0,0|3,0,0]=4 7364 B12R2.225 Cc1ccccc1SC2CC2 62a_100000210755_100000211595 [0,0,0,1,0,0|3,0,0]=4 7365 B12R2.225 Clc1ccccc1NC2CC2 34a_100000185783_100000211595 [0,0,0,1,0,0|2,0,0]=3 7366 B12R2.225 Clc1ccccc1OC2CC2 34a_100000210172_100000211595 [0,0,0,1,0,0|2,0,0]=3 7367 B12R2.225 Clc1ccccc1SC2CC2 62a_100000764095_100000211595 [0,0,0,1,0,0|2,0,0]=3 7368 B12R2.225 Clc1cccnc1OC2CC2 34a_100011290957_100000211595 [0,0,0,1,0,0|3,0,0]=4 7369 B12R2.225 Clc1cccnc1SC2CC2 62a_100011356963_100000211595 [0,0,0,1,0,0|3,0,0]=4 7370 B12R2.225 Clc1ccncc1OC2CC2 34a_100011996695_100000211595 [0,0,0,1,0,0|3,0,0]=4 7371 B12R2.225 Clc1ccncc1SC2CC2 62a_100009995489_100000211595 [0,0,0,1,0,0|3,0,0]=4 7372 B12R2.225 Clc1cnccc1OC2CC2 34a_100011997054_100000211595 [0,0,0,1,0,0|3,0,0]=4 7373 B12R2.225 Clc1cnccc1SC2CC2 62a_100000708259_100000211595 [0,0,0,1,0,0|3,0,0]=4 7374 B12R2.225 Clc1ncccc1OC2CC2 34a_100000757616_100000211595 [0,0,0,1,0,0|3,0,0]=4 7375 B12R2.225 Clc1ncccc1SC2CC2 62a_100000036424_100000211595 [0,0,0,1,0,0|3,0,0]=4 7376 B12R2.225 Fc1ccccc1NC2CC2 34a_100000210422_100000211595 [0,0,0,1,0,0|2,1,0]=4 7377 B12R2.225 Fc1ccccc1OC2CC2 34a_100000210171_100000211595 [0,0,0,1,0,0|2,1,0]=4 7378 B12R2.225 Fc1ccccc1SC2CC2 62a_100011215700_100000211595 [0,0,0,1,0,0|2,1,0]=4 7379 B12R2.225 Ic1ccccc1NC2CC2 34a_100000210053_100000211595 [0,0,0,1,0,0|2,1,0]=4 7380 B12R2.225 Ic1ccccc1OC2CC2 34a_100000739446_100000211595 [0,0,0,1,0,0|2,1,0]=4 7381 B12R2.225 Nc1ccccc1OC2CC2 34a_100000185747_100000211595 [0,0,0,1,0,0|3,0,0]=4 7382 B12R2.225 Nc1ccccc1SC2CC2 62a_100000210017_100000211595 [0,0,0,1,0,0|3,0,0]=4 7383 B12R2.225 Oc1ccccc1NC2CC2 34a_100000185747_100000211595 [0,0,0,1,0,0|3,0,0]=4 7384 B12R2.225 Oc1ccccc1OC2CC2 271570a_203496583355_100012344913 [0,0,0,1,0,0|3,0,0]=4 7385 B12R2.225 Oc1ccccc1SC2CC2 62a_100000739446_100000211595 [0,0,0,1,0,0|3,0,0]=4 7386 B12R2.931 CCSC1Cc2c1cccc2 62a_100000210202_100009813401 [0,0,0,1,0,0|3,0,0]=4 7387 B12R2.931 CCSC1Cc2c1cccc2 62a_100009813401_100000210202 [0,0,0,1,0,0|3,0,0]=4 7388 B12R2.931 COCC1Cc2c1cccc2 34a_100012476685_200000210301 [0,0,0,1,0,0|2,0,0]=3 7389 B12R2.931 COCC1Cc2c1cccc2 7a_100012476685_200000210301 [0,0,0,1,0,0|2,0,0]=3 7390 B12R2.931 [13CH3]OCC1Cc2c1cccc2 34a_100012476685_200025704644 [0,0,0,1,0,0|2,0,0]=3 7391 B12R2.931 [13CH3]OCC1Cc2c1cccc2 7a_100012476685_200025704644 [0,0,0,1,0,0|2,0,0]=3 7392 B12R2.1081 Oc1cccc2c1CCCC2 271570a_203496583355_100012354034 [0,0,0,1,0,0|2,0,0]=3 7393 B12R2.1081 Oc1cccc2c1CCCN2 271570a_203496583355_100010196365 [0,0,0,1,0,0|3,0,0]=4 7394 B12R2.1081 Oc1cccc2c1CCCO2 271570a_203496583355_100010188023 [0,0,0,1,0,0|3,0,0]=4 7395 B12R2.1081 Oc1cccc2c1CCN=C2 271570a_203496583355_100010982778 [0,0,0,1,0,0|1,0,2]=4 7396 B12R2.1081 Oc1cccc2c1CCNC2 271570a_203496583355_100000756787 [0,0,0,1,0,0|1,0,0]=2 7397 B12R2.1081 Oc1cccc2c1CNCC2 271570a_203496583355_100000687140 [0,0,0,1,0,0|3,0,0]=4 7398 B12R2.1081 Oc1cccc2c1OCCC2 271570a_203496583355_100010204675 [0,0,0,1,0,0|3,0,0]=4 7399 B10R1.29 CCCCc1[nH]cnc1Cl 271570a_100020621405_100010200774 [0,0,0,0,1,0|3,0,0]=4 7400 B10R1.29 CCCCc1ccsc1C 271570a_100020621405_100000684487 [0,0,0,0,1,0|3,0,0]=4 7401 B10R1.29 CCCCc1ccsc1O 271570a_203496583355_100010071534 [0,0,0,0,1,0|3,0,0]=4 7402 B10R1.29 CCCCc1cscc1Br 271570a_100020621405_100010143727 [0,0,0,0,1,0|2,1,0]=4 7403 B10R1.29 CCCCc1cscc1C 271570a_100020621405_100000759966 [0,0,0,0,1,0|3,0,0]=4 7404 B10R1.29 CCCCc1sccc1Br 271570a_100020621405_100012361411 [0,0,0,0,1,0|2,1,0]=4 7405 B10R1.29 CCCCc1sccc1C 271570a_100020621405_100000742657 [0,0,0,0,1,0|3,0,0]=4 7406 B10R1.29 CCNCc1ccsc1Cl 207a_100015525214_100000089901 [0,0,0,0,1,0|3,0,0]=4 7407 B10R1.29 CCNCc1ccsc1Cl 2230a_100015525214_100010167017 [0,0,0,0,1,0|3,0,0]=4 7408 B10R1.29 CCNCc1ccsc1Cl 270004a_100015525214_100000089901 [0,0,0,0,1,0|3,0,0]=4 7409 B10R1.29 CCNCc1sccc1Cl 207a_100015525214_100000722334 [0,0,0,0,1,0|3,0,0]=4 7410 B10R1.29 CCNCc1sccc1Cl 2230a_100011934584_100000210202 [0,0,0,0,1,0|3,0,0]=4 7411 B10R1.29 CCNCc1sccc1Cl 270004a_100015525214_100000722334 [0,0,0,0,1,0|3,0,0]=4 7412 B10R1.29 CCNCc1sccc1Cl 34a_100011934584_100000210202 [0,0,0,0,1,0|3,0,0]=4 7413 B10R1.29 CCOCc1ccsc1Cl 34a_100121572206_100010167017 [0,0,0,0,1,0|3,0,0]=4 7414 B10R1.29 CCOCc1sccc1Cl 34a_100000722387_100000210202 [0,0,0,0,1,0|3,0,0]=4 7415 B10R1.29 CCOCc1sccc1Cl 7a_100000722387_100000210202 [0,0,0,0,1,0|3,0,0]=4 7416 B10R1.29 CCSCc1ccsc1Cl 62a_100000210202_100010167017 [0,0,0,0,1,0|3,0,0]=4 7417 B10R1.29 CCSCc1ccsc1Cl 62a_100010167017_100000210202 [0,0,0,0,1,0|3,0,0]=4 7418 B10R1.29 CNCCc1cccn1C 2230a_100011251756_200000210301 [0,0,0,0,1,0|2,0,0]=3 7419 B10R1.29 CNCCc1cccn1C 34a_100011251756_200000210301 [0,0,0,0,1,0|2,0,0]=3 7420 B10R1.29 CNCCc1scnc1C 2230a_100000238517_200000210301 [0,0,0,0,1,0|3,0,0]=4 7421 B10R1.29 CNCCc1scnc1C 2230a_106832991635_100000057103 [0,0,0,0,1,0|3,0,0]=4 7422 B10R1.29 CNCCc1scnc1C 34a_100000238517_200000210301 [0,0,0,0,1,0|3,0,0]=4 7423 B10R1.29 CNCCc1scnc1C 34a_100102657272_100000057103 [0,0,0,0,1,0|3,0,0]=4 7424 B10R1.29 CNCCc1scnc1C 7a_106832991635_100000057103 [0,0,0,0,1,0|3,0,0]=4 7425 B10R1.29 CNCCn1ccnc1C 2230a_106832991635_100000742477 [0,0,0,0,1,0|3,0,0]=4 7426 B10R1.29 CNCCn1ccnc1C 34a_100015184736_200000210301 [0,0,0,0,1,0|3,0,0]=4 7427 B10R1.29 CNCCn1ccnc1C 7a_106832991635_100000742477 [0,0,0,0,1,0|3,0,0]=4 7428 B10R1.29 CNCCn1nccc1C 2230a_106832991635_100011934269 [0,0,0,0,1,0|3,0,0]=4 7429 B10R1.29 CNCCn1nccc1C 7a_106832991635_100011934269 [0,0,0,0,1,0|3,0,0]=4 7430 B10R1.29 Cc1nccn1CCN[13CH3] 34a_100015184736_200025704644 [0,0,0,0,1,0|3,0,0]=4 7431 B10R1.29 Cc1ncsc1CCN[13CH3] 2230a_100000238517_200025704644 [0,0,0,0,1,0|3,0,0]=4 7432 B10R1.29 Cc1ncsc1CCN[13CH3] 34a_100000238517_200025704644 [0,0,0,0,1,0|3,0,0]=4 7433 B10R1.29 Cn1cccc1CCN[13CH3] 2230a_100011251756_200025704644 [0,0,0,0,1,0|2,0,0]=3 7434 B10R1.29 Cn1cccc1CCN[13CH3] 34a_100011251756_200025704644 [0,0,0,0,1,0|2,0,0]=3 7435 B12R1.18 CCCOc1cccccc1=O 34a_100000036025_100000210303 [0,0,0,0,0,1|3,0,0]=4 7436 B12R1.18 CCCOc1cccccc1=O 7a_100000036025_100000210303 [0,0,0,0,0,1|3,0,0]=4 7437 B12R1.18 CSCOc1cccccc1=O 34a_100000036025_100011218213 [0,0,0,0,0,1|3,0,0]=4 7438 B9R0.18 C=CC=CC(=O)CCCC 1458a_100016291481_100000210211 [1,0,1,0,0,0|1,0,1]=4 7439 B9R0.18 C=CC=CC(=O)CCOC 1458a_100016291481_100000233755 [1,0,1,0,0,0|2,0,0]=4 7440 B9R0.18 C=CC=CC(=O)CCSC 1458a_100016291481_100000751147 [1,0,1,0,0,0|2,0,0]=4 7441 B9R0.18 C=CC=CC(=O)NCCC 1626a_100020643023_100016291481 [1,0,1,0,0,0|2,0,0]=4 7442 B9R1.8 CC=Cc1ccccc1 271570a_100016259895_100000210277 [2,0,0,0,0,0|0,0,2]=4 7443 B9R1.8 CCNc1ccccc1 34a_100000106764_100000210202 [2,0,0,0,0,0|1,0,0]=3 7444 B9R1.8 CCOc1ccccc1 34a_100000210340_100000210202 [2,0,0,0,0,0|1,0,0]=3 7445 B9R1.8 CCOc1ccccc1 7a_100000210340_100000210202 [2,0,0,0,0,0|1,0,0]=3 7446 B9R1.8 CCOc1cccnc1 34a_100000210849_100000210202 [2,0,0,0,0,0|2,0,0]=4 7447 B9R1.8 CCOc1cccnc1 7a_100000210849_100000210202 [2,0,0,0,0,0|2,0,0]=4 7448 B9R1.8 CCOc1ccncc1 34a_100000212176_100000210202 [2,0,0,0,0,0|2,0,0]=4 7449 B9R1.8 CCSc1ccccc1 62a_100000210202_100000041952 [2,0,0,0,0,0|1,0,0]=3 7450 B9R1.8 CCSc1ccccc1 62a_100000719477_100000210202 [2,0,0,0,0,0|1,0,0]=3 7451 B9R1.8 CCSc1ccccn1 62a_100000210202_100011216584 [2,0,0,0,0,0|2,0,0]=4 7452 B9R1.8 CCSc1ccccn1 62a_100011216584_100000210202 [2,0,0,0,0,0|2,0,0]=4 7453 B9R1.8 CCSc1cccnc1 62a_100000210063_100000210202 [2,0,0,0,0,0|2,0,0]=4 7454 B9R1.8 CCSc1cccnc1 62a_100000210202_100000210063 [2,0,0,0,0,0|2,0,0]=4 7455 B9R1.8 CCSc1ccncc1 62a_100000210202_100000728582 [2,0,0,0,0,0|2,0,0]=4 7456 B9R1.8 CCSc1ccncc1 62a_100000728582_100000210202 [2,0,0,0,0,0|2,0,0]=4 7457 B9R1.8 CNCc1ccccc1 207a_100102657272_100015611070 [2,0,0,0,0,0|0,0,0]=2 7458 B9R1.8 CNCc1ccccc1 2230a_100015324214_200000210301 [2,0,0,0,0,0|0,0,0]=2 7459 B9R1.8 CNCc1ccccc1 2230a_106832991635_100015291786 [2,0,0,0,0,0|0,0,0]=2 7460 B9R1.8 CNCc1ccccc1 270004a_106832991635_100015611070 [2,0,0,0,0,0|0,0,0]=2 7461 B9R1.8 CNCc1ccccc1 34a_100015324214_200000210301 [2,0,0,0,0,0|0,0,0]=2 7462 B9R1.8 CNCc1ccccc1 34a_100102657272_100015291786 [2,0,0,0,0,0|0,0,0]=2 7463 B9R1.8 CNCc1ccccc1 7a_106832991635_100000211182 [2,0,0,0,0,0|0,0,0]=2 7464 B9R1.8 CNCc1ccccn1 207a_100102657272_100000209966 [2,0,0,0,0,0|1,0,0]=3 7465 B9R1.8 CNCc1ccccn1 2230a_106832991635_100000721315 [2,0,0,0,0,0|1,0,0]=3 7466 B9R1.8 CNCc1ccccn1 270004a_106832991635_100000209966 [2,0,0,0,0,0|1,0,0]=3 7467 B9R1.8 CNCc1ccccn1 34a_100102657272_100000721315 [2,0,0,0,0,0|1,0,0]=3 7468 B9R1.8 CNCc1ccccn1 7a_106832991635_100000721315 [2,0,0,0,0,0|1,0,0]=3 7469 B9R1.8 CNCc1cccnc1 207a_100102657272_100000209961 [2,0,0,0,0,0|1,0,0]=3 7470 B9R1.8 CNCc1cccnc1 2230a_106832991635_100000741622 [2,0,0,0,0,0|1,0,0]=3 7471 B9R1.8 CNCc1cccnc1 270004a_106832991635_100000209961 [2,0,0,0,0,0|1,0,0]=3 7472 B9R1.8 CNCc1cccnc1 34a_100102657272_100000733263 [2,0,0,0,0,0|1,0,0]=3 7473 B9R1.8 CNCc1cccnc1 7a_106832991635_100000741622 [2,0,0,0,0,0|1,0,0]=3 7474 B9R1.8 CNCc1cccnn1 2230a_100159270163_200000210301 [2,0,0,0,0,0|2,0,0]=4 7475 B9R1.8 CNCc1cccnn1 2230a_106832991635_100016990269 [2,0,0,0,0,0|2,0,0]=4 7476 B9R1.8 CNCc1cccnn1 34a_100102657272_100016990269 [2,0,0,0,0,0|2,0,0]=4 7477 B9R1.8 CNCc1cccnn1 7a_106832991635_100016990269 [2,0,0,0,0,0|2,0,0]=4 7478 B9R1.8 CNCc1ccncc1 207a_100102657272_100000186114 [2,0,0,0,0,0|1,0,0]=3 7479 B9R1.8 CNCc1ccncc1 2230a_106832991635_100015193705 [2,0,0,0,0,0|1,0,0]=3 7480 B9R1.8 CNCc1ccncc1 7a_106832991635_100015193705 [2,0,0,0,0,0|1,0,0]=3 7481 B9R1.8 CNCc1ccnnc1 270004a_106832991635_100011934578 [2,0,0,0,0,0|2,0,0]=4 7482 B9R1.8 CNCc1cnccn1 2230a_106832991635_100016995436 [2,0,0,0,0,0|2,0,0]=4 7483 B9R1.8 CNCc1cnccn1 270004a_106832991635_100000749867 [2,0,0,0,0,0|2,0,0]=4 7484 B9R1.8 CNCc1cnccn1 34a_100102657272_100016995436 [2,0,0,0,0,0|2,0,0]=4 7485 B9R1.8 CNCc1cnccn1 7a_106832991635_100016995436 [2,0,0,0,0,0|2,0,0]=4 7486 B9R1.8 CNCc1cncnc1 2230a_100011243677_200000210301 [2,0,0,0,0,0|2,0,0]=4 7487 B9R1.8 CNCc1cncnc1 2230a_106832991635_100015196519 [2,0,0,0,0,0|2,0,0]=4 7488 B9R1.8 CNCc1cncnc1 270004a_106832991635_100000749868 [2,0,0,0,0,0|2,0,0]=4 7489 B9R1.8 CNCc1cncnc1 34a_100102657272_100015196519 [2,0,0,0,0,0|2,0,0]=4 7490 B9R1.8 CNCc1cncnc1 7a_106832991635_100015196519 [2,0,0,0,0,0|2,0,0]=4 7491 B9R1.8 CNCc1ncccn1 2230a_106832991635_100000703007 [2,0,0,0,0,0|2,0,0]=4 7492 B9R1.8 CNCc1ncccn1 270004a_106832991635_100011532527 [2,0,0,0,0,0|2,0,0]=4 7493 B9R1.8 CNCc1ncccn1 34a_100102657272_100000703007 [2,0,0,0,0,0|2,0,0]=4 7494 B9R1.8 CNCc1ncccn1 7a_106832991635_100000703007 [2,0,0,0,0,0|2,0,0]=4 7495 B9R1.8 COCc1ccccc1 34a_100000210790_200000210301 [2,0,0,0,0,0|1,0,0]=3 7496 B9R1.8 COCc1ccccc1 34a_100138415774_100015291786 [2,0,0,0,0,0|1,0,0]=3 7497 B9R1.8 COCc1ccccc1 7a_100000210790_200000210301 [2,0,0,0,0,0|1,0,0]=3 7498 B9R1.8 COCc1ccccn1 34a_100138415774_100000721315 [2,0,0,0,0,0|2,0,0]=4 7499 B9R1.8 COCc1cccnc1 34a_100138415774_100000733263 [2,0,0,0,0,0|2,0,0]=4 7500 B9R1.8 CSCc1ccccc1 62a_100000211182_200000210301 [2,0,0,0,0,0|1,0,0]=3 7501 B9R1.8 CSCc1ccccc1 62a_200000210301_100015291786 [2,0,0,0,0,0|1,0,0]=3 7502 B9R1.8 CSCc1ccccn1 62a_100000721315_200000210301 [2,0,0,0,0,0|2,0,0]=4 7503 B9R1.8 CSCc1ccccn1 62a_200000210301_100000721315 [2,0,0,0,0,0|2,0,0]=4 7504 B9R1.8 CSCc1cccnc1 62a_100000741622_200000210301 [2,0,0,0,0,0|2,0,0]=4 7505 B9R1.8 CSCc1cccnc1 62a_200000210301_100000741622 [2,0,0,0,0,0|2,0,0]=4 7506 B9R1.8 CSCc1ccncc1 62a_100015193705_200000210301 [2,0,0,0,0,0|2,0,0]=4 7507 B9R1.8 CSCc1ccncc1 62a_200000210301_100015193705 [2,0,0,0,0,0|2,0,0]=4 7508 B9R1.8 FCNc1ccccc1 34a_100000106764_100015361967 [2,0,0,0,0,0|2,0,0]=4 7509 B9R1.8 FCOc1ccccc1 34a_100000210340_100015361967 [2,0,0,0,0,0|2,0,0]=4 7510 B9R1.8 FCOc1ccccc1 7a_100000210340_100015361967 [2,0,0,0,0,0|2,0,0]=4 7511 B9R1.8 FCSc1ccccc1 62a_100000719477_100015361967 [2,0,0,0,0,0|2,0,0]=4 7512 B9R1.8 FCSc1ccccc1 62a_100015361967_100000041952 [2,0,0,0,0,0|2,0,0]=4 7513 B9R1.8 [13CH3]NCc1ccccc1 2230a_100015324214_200025704644 [2,0,0,0,0,0|0,0,0]=2 7514 B9R1.8 [13CH3]NCc1ccccc1 34a_100015324214_200025704644 [2,0,0,0,0,0|0,0,0]=2 7515 B9R1.8 [13CH3]NCc1cccnn1 2230a_100159270163_200025704644 [2,0,0,0,0,0|2,0,0]=4 7516 B9R1.8 [13CH3]NCc1cncnc1 2230a_100011243677_200025704644 [2,0,0,0,0,0|2,0,0]=4 7517 B9R1.8 [13CH3]OCc1ccccc1 34a_100000210790_200025704644 [2,0,0,0,0,0|1,0,0]=3 7518 B9R1.8 [13CH3]OCc1ccccc1 7a_100000210790_200025704644 [2,0,0,0,0,0|1,0,0]=3 7519 B9R1.8 [13CH3]SCc1ccccc1 62a_100000211182_200025704644 [2,0,0,0,0,0|1,0,0]=3 7520 B9R1.8 [13CH3]SCc1ccccc1 62a_200025704644_100015291786 [2,0,0,0,0,0|1,0,0]=3 7521 B9R1.8 [13CH3]SCc1ccccn1 62a_100000721315_200025704644 [2,0,0,0,0,0|2,0,0]=4 7522 B9R1.8 [13CH3]SCc1ccccn1 62a_200025704644_100000721315 [2,0,0,0,0,0|2,0,0]=4 7523 B9R1.8 [13CH3]SCc1cccnc1 62a_100000741622_200025704644 [2,0,0,0,0,0|2,0,0]=4 7524 B9R1.8 [13CH3]SCc1cccnc1 62a_200025704644_100000741622 [2,0,0,0,0,0|2,0,0]=4 7525 B9R1.8 [13CH3]SCc1ccncc1 62a_100015193705_200025704644 [2,0,0,0,0,0|2,0,0]=4 7526 B9R1.8 [13CH3]SCc1ccncc1 62a_200025704644_100015193705 [2,0,0,0,0,0|2,0,0]=4 7527 B9R1.15 C=Cc1ccccc1Cl 271570a_100011290941_100000764095 [2,0,0,0,0,0|0,0,2]=4 7528 B9R1.15 CCc1ccccc1O 271570a_203496583355_100011215823 [2,0,0,0,0,0|1,0,0]=3 7529 B9R1.15 CCc1ccncc1O 271570a_203496583355_100009819861 [2,0,0,0,0,0|2,0,0]=4 7530 B9R1.15 CCc1cnccc1O 271570a_203496583355_100025704421 [2,0,0,0,0,0|2,0,0]=4 7531 B9R1.15 CCc1ncccc1O 271570a_203496583355_100009877225 [2,0,0,0,0,0|2,0,0]=4 7532 B9R1.15 CNc1ccccc1Br 34a_100000210017_200000210301 [2,0,0,0,0,0|0,1,0]=3 7533 B9R1.15 CNc1ccccc1C 34a_100015192222_200000210301 [2,0,0,0,0,0|1,0,0]=3 7534 B9R1.15 CNc1ccccc1Cl 34a_100000185783_200000210301 [2,0,0,0,0,0|0,0,0]=2 7535 B9R1.15 CNc1ccccc1F 34a_100000210422_200000210301 [2,0,0,0,0,0|0,1,0]=3 7536 B9R1.15 CNc1ccccc1I 34a_100000210053_200000210301 [2,0,0,0,0,0|0,1,0]=3 7537 B9R1.15 CNc1ccccc1O 271570a_203496583355_100020606079 [2,0,0,0,0,0|1,0,0]=3 7538 B9R1.15 CNc1ccccc1O 34a_100000185747_200000210301 [2,0,0,0,0,0|1,0,0]=3 7539 B9R1.15 CNc1cccnc1O 271570a_203496583355_200011806188 [2,0,0,0,0,0|2,0,0]=4 7540 B9R1.15 CNc1ccncc1Br 27a_100102657272_100000726257 [2,0,0,0,0,0|1,1,0]=4 7541 B9R1.15 CNc1ccncc1C 27a_100102657272_100000765111 [2,0,0,0,0,0|2,0,0]=4 7542 B9R1.15 CNc1ccncc1F 27a_100102657272_100000035921 [2,0,0,0,0,0|1,1,0]=4 7543 B9R1.15 CNc1ccncc1O 271570a_203496583355_100010069531 [2,0,0,0,0,0|2,0,0]=4 7544 B9R1.15 CNc1ncccc1Br 27a_100102657272_100000696092 [2,0,0,0,0,0|1,1,0]=4 7545 B9R1.15 CNc1ncccc1O 271570a_203496583355_100000700899 [2,0,0,0,0,0|2,0,0]=4 7546 B9R1.15 COc1ccccc1Br 34a_100000181306_200000210301 [2,0,0,0,0,0|1,1,0]=4 7547 B9R1.15 COc1ccccc1Br 7a_100000181306_200000210301 [2,0,0,0,0,0|1,1,0]=4 7548 B9R1.15 COc1ccccc1C 34a_100000210338_200000210301 [2,0,0,0,0,0|2,0,0]=4 7549 B9R1.15 COc1ccccc1C 7a_100000210338_200000210301 [2,0,0,0,0,0|2,0,0]=4 7550 B9R1.15 COc1ccccc1Cl 34a_100000210172_200000210301 [2,0,0,0,0,0|1,0,0]=3 7551 B9R1.15 COc1ccccc1Cl 7a_100000210172_200000210301 [2,0,0,0,0,0|1,0,0]=3 7552 B9R1.15 COc1ccccc1F 34a_100000210171_200000210301 [2,0,0,0,0,0|1,1,0]=4 7553 B9R1.15 COc1ccccc1F 7a_100000210171_200000210301 [2,0,0,0,0,0|1,1,0]=4 7554 B9R1.15 COc1ccccc1I 34a_100000739446_200000210301 [2,0,0,0,0,0|1,1,0]=4 7555 B9R1.15 COc1ccccc1I 7a_100000739446_200000210301 [2,0,0,0,0,0|1,1,0]=4 7556 B9R1.15 COc1ccccc1N 34a_100000185747_200000210301 [2,0,0,0,0,0|2,0,0]=4 7557 B9R1.15 COc1ccccc1N 7a_100000185747_200000210301 [2,0,0,0,0,0|2,0,0]=4 7558 B9R1.15 COc1ccccc1O 271570a_203496583355_100000174000 [2,0,0,0,0,0|2,0,0]=4 7559 B9R1.15 COc1cccnc1Cl 34a_100000757616_200000210301 [2,0,0,0,0,0|2,0,0]=4 7560 B9R1.15 COc1cccnc1Cl 7a_100000757616_200000210301 [2,0,0,0,0,0|2,0,0]=4 7561 B9R1.15 COc1ccncc1Cl 34a_100011997054_200000210301 [2,0,0,0,0,0|2,0,0]=4 7562 B9R1.15 COc1cnccc1Cl 34a_100011996695_200000210301 [2,0,0,0,0,0|2,0,0]=4 7563 B9R1.15 COc1ncccc1Cl 34a_100011290957_200000210301 [2,0,0,0,0,0|2,0,0]=4 7564 B9R1.15 CSc1ccccc1Br 62a_100000695589_200000210301 [2,0,0,0,0,0|1,1,0]=4 7565 B9R1.15 CSc1ccccc1Br 62a_200000210301_100000695589 [2,0,0,0,0,0|1,1,0]=4 7566 B9R1.15 CSc1ccccc1C 62a_100000210755_200000210301 [2,0,0,0,0,0|2,0,0]=4 7567 B9R1.15 CSc1ccccc1C 62a_200000210301_100000210755 [2,0,0,0,0,0|2,0,0]=4 7568 B9R1.15 CSc1ccccc1Cl 62a_100000764095_200000210301 [2,0,0,0,0,0|1,0,0]=3 7569 B9R1.15 CSc1ccccc1Cl 62a_200000210301_100000764095 [2,0,0,0,0,0|1,0,0]=3 7570 B9R1.15 CSc1ccccc1F 62a_100011215700_200000210301 [2,0,0,0,0,0|1,1,0]=4 7571 B9R1.15 CSc1ccccc1F 62a_200000210301_100011215700 [2,0,0,0,0,0|1,1,0]=4 7572 B9R1.15 CSc1ccccc1N 62a_100000210017_200000210301 [2,0,0,0,0,0|2,0,0]=4 7573 B9R1.15 CSc1ccccc1N 62a_200000210301_100000210017 [2,0,0,0,0,0|2,0,0]=4 7574 B9R1.15 CSc1ccccc1O 271570a_203496583355_100011217816 [2,0,0,0,0,0|2,0,0]=4 7575 B9R1.15 CSc1ccccc1O 62a_100000739446_200000210301 [2,0,0,0,0,0|2,0,0]=4 7576 B9R1.15 CSc1ccccc1O 62a_200000210301_100000739446 [2,0,0,0,0,0|2,0,0]=4 7577 B9R1.15 CSc1cccnc1Cl 62a_100000036424_200000210301 [2,0,0,0,0,0|2,0,0]=4 7578 B9R1.15 CSc1cccnc1Cl 62a_200000210301_100000036424 [2,0,0,0,0,0|2,0,0]=4 7579 B9R1.15 CSc1ccncc1Cl 62a_100000708259_200000210301 [2,0,0,0,0,0|2,0,0]=4 7580 B9R1.15 CSc1ccncc1Cl 62a_200000210301_100000708259 [2,0,0,0,0,0|2,0,0]=4 7581 B9R1.15 CSc1cnccc1Cl 62a_100009995489_200000210301 [2,0,0,0,0,0|2,0,0]=4 7582 B9R1.15 CSc1cnccc1Cl 62a_200000210301_100009995489 [2,0,0,0,0,0|2,0,0]=4 7583 B9R1.15 CSc1ncccc1Cl 62a_100011356963_200000210301 [2,0,0,0,0,0|2,0,0]=4 7584 B9R1.15 CSc1ncccc1Cl 62a_200000210301_100011356963 [2,0,0,0,0,0|2,0,0]=4 7585 B9R1.15 Cc1ccccc1N[13CH3] 34a_100015192222_200025704644 [2,0,0,0,0,0|1,0,0]=3 7586 B9R1.15 Cc1ccccc1O[13CH3] 34a_100000210338_200025704644 [2,0,0,0,0,0|2,0,0]=4 7587 B9R1.15 Cc1ccccc1O[13CH3] 7a_100000210338_200025704644 [2,0,0,0,0,0|2,0,0]=4 7588 B9R1.15 Cc1ccccc1S[13CH3] 62a_100000210755_200025704644 [2,0,0,0,0,0|2,0,0]=4 7589 B9R1.15 Cc1ccccc1S[13CH3] 62a_200025704644_100000210755 [2,0,0,0,0,0|2,0,0]=4 7590 B9R1.15 NCc1ccccc1O 271570a_203496583355_100000689332 [2,0,0,0,0,0|1,0,0]=3 7591 B9R1.15 NCc1cccnc1O 271570a_203496583355_100015189234 [2,0,0,0,0,0|2,0,0]=4 7592 B9R1.15 NCc1ccncc1O 271570a_203496583355_100020640021 [2,0,0,0,0,0|2,0,0]=4 7593 B9R1.15 NCc1ncccc1O 271570a_203496583355_100020591323 [2,0,0,0,0,0|2,0,0]=4 7594 B9R1.15 NNc1ccccc1O 271570a_203496583355_100000241748 [2,0,0,0,0,0|2,0,0]=4 7595 B9R1.15 OCc1ccccc1O 271570a_203496583355_100000187465 [2,0,0,0,0,0|2,0,0]=4 7596 B9R1.15 [13CH3]Nc1ccccc1Br 34a_100000210017_200025704644 [2,0,0,0,0,0|0,1,0]=3 7597 B9R1.15 [13CH3]Nc1ccccc1Cl 34a_100000185783_200025704644 [2,0,0,0,0,0|0,0,0]=2 7598 B9R1.15 [13CH3]Nc1ccccc1F 34a_100000210422_200025704644 [2,0,0,0,0,0|0,1,0]=3 7599 B9R1.15 [13CH3]Nc1ccccc1I 34a_100000210053_200025704644 [2,0,0,0,0,0|0,1,0]=3 7600 B9R1.15 [13CH3]Nc1ccccc1O 34a_100000185747_200025704644 [2,0,0,0,0,0|1,0,0]=3 7601 B9R1.15 [13CH3]Oc1ccccc1Br 34a_100000181306_200025704644 [2,0,0,0,0,0|1,1,0]=4 7602 B9R1.15 [13CH3]Oc1ccccc1Br 7a_100000181306_200025704644 [2,0,0,0,0,0|1,1,0]=4 7603 B9R1.15 [13CH3]Oc1ccccc1Cl 34a_100000210172_200025704644 [2,0,0,0,0,0|1,0,0]=3 7604 B9R1.15 [13CH3]Oc1ccccc1Cl 7a_100000210172_200025704644 [2,0,0,0,0,0|1,0,0]=3 7605 B9R1.15 [13CH3]Oc1ccccc1F 34a_100000210171_200025704644 [2,0,0,0,0,0|1,1,0]=4 7606 B9R1.15 [13CH3]Oc1ccccc1F 7a_100000210171_200025704644 [2,0,0,0,0,0|1,1,0]=4 7607 B9R1.15 [13CH3]Oc1ccccc1I 34a_100000739446_200025704644 [2,0,0,0,0,0|1,1,0]=4 7608 B9R1.15 [13CH3]Oc1ccccc1I 7a_100000739446_200025704644 [2,0,0,0,0,0|1,1,0]=4 7609 B9R1.15 [13CH3]Oc1ccccc1N 34a_100000185747_200025704644 [2,0,0,0,0,0|2,0,0]=4 7610 B9R1.15 [13CH3]Oc1ccccc1N 7a_100000185747_200025704644 [2,0,0,0,0,0|2,0,0]=4 7611 B9R1.15 [13CH3]Oc1cccnc1Cl 34a_100000757616_200025704644 [2,0,0,0,0,0|2,0,0]=4 7612 B9R1.15 [13CH3]Oc1cccnc1Cl 7a_100000757616_200025704644 [2,0,0,0,0,0|2,0,0]=4 7613 B9R1.15 [13CH3]Oc1ccncc1Cl 34a_100011997054_200025704644 [2,0,0,0,0,0|2,0,0]=4 7614 B9R1.15 [13CH3]Oc1cnccc1Cl 34a_100011996695_200025704644 [2,0,0,0,0,0|2,0,0]=4 7615 B9R1.15 [13CH3]Oc1ncccc1Cl 34a_100011290957_200025704644 [2,0,0,0,0,0|2,0,0]=4 7616 B9R1.15 [13CH3]Sc1ccccc1Br 62a_100000695589_200025704644 [2,0,0,0,0,0|1,1,0]=4 7617 B9R1.15 [13CH3]Sc1ccccc1Br 62a_200025704644_100000695589 [2,0,0,0,0,0|1,1,0]=4 7618 B9R1.15 [13CH3]Sc1ccccc1Cl 62a_100000764095_200025704644 [2,0,0,0,0,0|1,0,0]=3 7619 B9R1.15 [13CH3]Sc1ccccc1Cl 62a_200025704644_100000764095 [2,0,0,0,0,0|1,0,0]=3 7620 B9R1.15 [13CH3]Sc1ccccc1F 62a_100011215700_200025704644 [2,0,0,0,0,0|1,1,0]=4 7621 B9R1.15 [13CH3]Sc1ccccc1F 62a_200025704644_100011215700 [2,0,0,0,0,0|1,1,0]=4 7622 B9R1.15 [13CH3]Sc1ccccc1N 62a_100000210017_200025704644 [2,0,0,0,0,0|2,0,0]=4 7623 B9R1.15 [13CH3]Sc1ccccc1N 62a_200025704644_100000210017 [2,0,0,0,0,0|2,0,0]=4 7624 B9R1.15 [13CH3]Sc1ccccc1O 62a_100000739446_200025704644 [2,0,0,0,0,0|2,0,0]=4 7625 B9R1.15 [13CH3]Sc1ccccc1O 62a_200025704644_100000739446 [2,0,0,0,0,0|2,0,0]=4 7626 B9R1.15 [13CH3]Sc1cccnc1Cl 62a_100000036424_200025704644 [2,0,0,0,0,0|2,0,0]=4 7627 B9R1.15 [13CH3]Sc1cccnc1Cl 62a_200025704644_100000036424 [2,0,0,0,0,0|2,0,0]=4 7628 B9R1.15 [13CH3]Sc1ccncc1Cl 62a_100000708259_200025704644 [2,0,0,0,0,0|2,0,0]=4 7629 B9R1.15 [13CH3]Sc1ccncc1Cl 62a_200025704644_100000708259 [2,0,0,0,0,0|2,0,0]=4 7630 B9R1.15 [13CH3]Sc1cnccc1Cl 62a_100009995489_200025704644 [2,0,0,0,0,0|2,0,0]=4 7631 B9R1.15 [13CH3]Sc1cnccc1Cl 62a_200025704644_100009995489 [2,0,0,0,0,0|2,0,0]=4 7632 B9R1.15 [13CH3]Sc1ncccc1Cl 62a_100011356963_200025704644 [2,0,0,0,0,0|2,0,0]=4 7633 B9R1.15 [13CH3]Sc1ncccc1Cl 62a_200025704644_100011356963 [2,0,0,0,0,0|2,0,0]=4 7634 B11R0.147 C=CC=CC(=O)CCCN(C)C 1458a_100016291481_100000695564 [0,1,1,0,0,0|1,0,1]=4 7635 B11R1.13 CC=Cc1cccc(c1Cl)Br 271570a_100016259895_100010142854 [1,1,0,0,0,0|0,0,2]=4 7636 B11R1.13 CC=Cc1cccc(c1Cl)C 271570a_100016259895_200012352035 [1,1,0,0,0,0|0,0,2]=4 7637 B11R1.13 CC=Cc1cccc(c1Cl)Cl 271570a_100016259895_100011215384 [1,1,0,0,0,0|0,0,2]=4 7638 B11R1.13 CC=Cc1cccc(c1Cl)F 271570a_100016259895_200010234923 [1,1,0,0,0,0|0,0,2]=4 7639 B11R1.13 CC=Cc1cccc(c1Cl)O 271570a_100016259895_100000049636 [1,1,0,0,0,0|0,0,2]=4 7640 B11R1.13 CCNc1cccc(c1Br)C 34a_100000684715_100000210202 [1,1,0,0,0,0|1,1,0]=4 7641 B11R1.13 CCNc1cccc(c1Br)Cl 34a_100000687072_100000210202 [1,1,0,0,0,0|1,1,0]=4 7642 B11R1.13 CCNc1cccc(c1Br)F 34a_100011934729_100000210202 [1,1,0,0,0,0|1,1,0]=4 7643 B11R1.13 CCNc1cccc(c1Br)O 34a_100012183704_100000210202 [1,1,0,0,0,0|1,1,0]=4 7644 B11R1.13 CCNc1cccc(c1Br)O 7a_100012183704_100000210202 [1,1,0,0,0,0|1,1,0]=4 7645 B11R1.13 CCNc1cccc(c1C)Br 34a_100000750434_100000210202 [1,1,0,0,0,0|2,0,0]=4 7646 B11R1.13 CCNc1cccc(c1C)C 2230a_100000210026_100000210202 [1,1,0,0,0,0|2,0,0]=4 7647 B11R1.13 CCNc1cccc(c1C)C 34a_100000210026_100000210202 [1,1,0,0,0,0|2,0,0]=4 7648 B11R1.13 CCNc1cccc(c1C)C 7a_100000210026_100000210202 [1,1,0,0,0,0|2,0,0]=4 7649 B11R1.13 CCNc1cccc(c1C)Cl 2230a_100000210441_100000210202 [1,1,0,0,0,0|2,0,0]=4 7650 B11R1.13 CCNc1cccc(c1C)Cl 34a_100000210441_100000210202 [1,1,0,0,0,0|2,0,0]=4 7651 B11R1.13 CCNc1cccc(c1C)Cl 7a_100000210441_100000210202 [1,1,0,0,0,0|2,0,0]=4 7652 B11R1.13 CCNc1cccc(c1C)F 34a_100000745574_100000210202 [1,1,0,0,0,0|2,0,0]=4 7653 B11R1.13 CCNc1cccc(c1C)F 7a_100000745574_100000210202 [1,1,0,0,0,0|2,0,0]=4 7654 B11R1.13 CCNc1cccc(c1C)I 34a_100000761887_100000210202 [1,1,0,0,0,0|2,0,0]=4 7655 B11R1.13 CCNc1cccc(c1C)O 34a_100011216573_100000210202 [1,1,0,0,0,0|2,0,0]=4 7656 B11R1.13 CCNc1cccc(c1C)O 7a_100011216573_100000210202 [1,1,0,0,0,0|2,0,0]=4 7657 B11R1.13 CCNc1cccc(c1Cl)Br 34a_100000687075_100000210202 [1,1,0,0,0,0|1,0,0]=3 7658 B11R1.13 CCNc1cccc(c1Cl)C 34a_100000765562_100000210202 [1,1,0,0,0,0|1,0,0]=3 7659 B11R1.13 CCNc1cccc(c1Cl)C 7a_100000765562_100000210202 [1,1,0,0,0,0|1,0,0]=3 7660 B11R1.13 CCNc1cccc(c1Cl)Cl 34a_100000185733_100000210202 [1,1,0,0,0,0|1,0,0]=3 7661 B11R1.13 CCNc1cccc(c1Cl)F 34a_100000692321_100000210202 [1,1,0,0,0,0|1,0,0]=3 7662 B11R1.13 CCNc1cccc(c1Cl)O 34a_100012002038_100000210202 [1,1,0,0,0,0|1,0,0]=3 7663 B11R1.13 CCNc1cccc(c1Cl)O 7a_100012002038_100000210202 [1,1,0,0,0,0|1,0,0]=3 7664 B11R1.13 CCNc1cccc(c1F)Br 2230a_100011935091_100000210202 [1,1,0,0,0,0|1,1,0]=4 7665 B11R1.13 CCNc1cccc(c1F)Br 34a_100011935091_100000210202 [1,1,0,0,0,0|1,1,0]=4 7666 B11R1.13 CCNc1cccc(c1F)C 2230a_100000697159_100000210202 [1,1,0,0,0,0|1,1,0]=4 7667 B11R1.13 CCNc1cccc(c1F)C 34a_100000697159_100000210202 [1,1,0,0,0,0|1,1,0]=4 7668 B11R1.13 CCNc1cccc(c1F)C 7a_100000697159_100000210202 [1,1,0,0,0,0|1,1,0]=4 7669 B11R1.13 CCNc1cccc(c1F)Cl 2230a_100000199060_100000210202 [1,1,0,0,0,0|1,1,0]=4 7670 B11R1.13 CCNc1cccc(c1F)Cl 34a_100000199060_100000210202 [1,1,0,0,0,0|1,1,0]=4 7671 B11R1.13 CCNc1cccc(c1F)F 34a_100000743855_100000210202 [1,1,0,0,0,0|1,1,0]=4 7672 B11R1.13 CCNc1cccc(c1I)Br 34a_100020590159_100000210202 [1,1,0,0,0,0|1,1,0]=4 7673 B11R1.13 CCNc1cccc(c1I)C 34a_100000761888_100000210202 [1,1,0,0,0,0|1,1,0]=4 7674 B11R1.13 CCNc1cccc(c1I)Cl 34a_100000049713_100000210202 [1,1,0,0,0,0|1,1,0]=4 7675 B11R1.13 CCNc1cccc(c1I)F 34a_100000690935_100000210202 [1,1,0,0,0,0|1,1,0]=4 7676 B11R1.13 CCNc1cccc(c1O)Br 34a_100011934915_100000210202 [1,1,0,0,0,0|2,0,0]=4 7677 B11R1.13 CCNc1cccc(c1O)C 34a_100000756359_100000210202 [1,1,0,0,0,0|2,0,0]=4 7678 B11R1.13 CCNc1cccc(c1O)Cl 34a_100000754742_100000210202 [1,1,0,0,0,0|2,0,0]=4 7679 B11R1.13 CCNc1cccc(c1O)F 34a_100011934987_100000210202 [1,1,0,0,0,0|2,0,0]=4 7680 B11R1.13 CCNc1ccnc(c1Cl)C 27a_100015525214_100000698670 [1,1,0,0,0,0|2,0,0]=4 7681 B11R1.13 CCNc1ccnc(c1Cl)F 27a_100015525214_100010067886 [1,1,0,0,0,0|2,0,0]=4 7682 B11R1.13 CCOc1cccc(c1Br)Br 34a_100010187966_100000210202 [1,1,0,0,0,0|1,1,0]=4 7683 B11R1.13 CCOc1cccc(c1Br)Br 7a_100010187966_100000210202 [1,1,0,0,0,0|1,1,0]=4 7684 B11R1.13 CCOc1cccc(c1Br)C 34a_100000686692_100000210202 [1,1,0,0,0,0|1,1,0]=4 7685 B11R1.13 CCOc1cccc(c1Br)C 7a_100000686692_100000210202 [1,1,0,0,0,0|1,1,0]=4 7686 B11R1.13 CCOc1cccc(c1Br)Cl 34a_100012348804_100000210202 [1,1,0,0,0,0|1,1,0]=4 7687 B11R1.13 CCOc1cccc(c1Br)Cl 7a_100012348804_100000210202 [1,1,0,0,0,0|1,1,0]=4 7688 B11R1.13 CCOc1cccc(c1Br)F 34a_100009820682_100000210202 [1,1,0,0,0,0|1,1,0]=4 7689 B11R1.13 CCOc1cccc(c1Br)F 7a_100009820682_100000210202 [1,1,0,0,0,0|1,1,0]=4 7690 B11R1.13 CCOc1cccc(c1Br)I 34a_100010187914_100000210202 [1,1,0,0,0,0|1,1,0]=4 7691 B11R1.13 CCOc1cccc(c1Br)I 7a_100010187914_100000210202 [1,1,0,0,0,0|1,1,0]=4 7692 B11R1.13 CCOc1cccc(c1Br)N 34a_100012183704_100000210202 [1,1,0,0,0,0|1,1,0]=4 7693 B11R1.13 CCOc1cccc(c1Br)N 7a_100012183704_100000210202 [1,1,0,0,0,0|1,1,0]=4 7694 B11R1.13 CCOc1cccc(c1C)Br 34a_100012002258_100000210202 [1,1,0,0,0,0|2,0,0]=4 7695 B11R1.13 CCOc1cccc(c1C)Br 7a_100012002258_100000210202 [1,1,0,0,0,0|2,0,0]=4 7696 B11R1.13 CCOc1cccc(c1C)C 34a_100000185855_100000210202 [1,1,0,0,0,0|2,0,0]=4 7697 B11R1.13 CCOc1cccc(c1C)C 7a_100000185855_100000210202 [1,1,0,0,0,0|2,0,0]=4 7698 B11R1.13 CCOc1cccc(c1C)Cl 34a_100011265684_100000210202 [1,1,0,0,0,0|2,0,0]=4 7699 B11R1.13 CCOc1cccc(c1C)Cl 7a_100011265684_100000210202 [1,1,0,0,0,0|2,0,0]=4 7700 B11R1.13 CCOc1cccc(c1C)F 34a_100011217231_100000210202 [1,1,0,0,0,0|2,0,0]=4 7701 B11R1.13 CCOc1cccc(c1C)F 7a_100011217231_100000210202 [1,1,0,0,0,0|2,0,0]=4 7702 B11R1.13 CCOc1cccc(c1C)N 34a_100011216573_100000210202 [1,1,0,0,0,0|2,0,0]=4 7703 B11R1.13 CCOc1cccc(c1C)N 7a_100011216573_100000210202 [1,1,0,0,0,0|2,0,0]=4 7704 B11R1.13 CCOc1cccc(c1Cl)Br 34a_100010187913_100000210202 [1,1,0,0,0,0|1,0,0]=3 7705 B11R1.13 CCOc1cccc(c1Cl)Br 7a_100010187913_100000210202 [1,1,0,0,0,0|1,0,0]=3 7706 B11R1.13 CCOc1cccc(c1Cl)C 34a_100000695629_100000210202 [1,1,0,0,0,0|1,0,0]=3 7707 B11R1.13 CCOc1cccc(c1Cl)C 7a_100000695629_100000210202 [1,1,0,0,0,0|1,0,0]=3 7708 B11R1.13 CCOc1cccc(c1Cl)Cl 34a_100000211076_100000210202 [1,1,0,0,0,0|1,0,0]=3 7709 B11R1.13 CCOc1cccc(c1Cl)Cl 7a_100000211076_100000210202 [1,1,0,0,0,0|1,0,0]=3 7710 B11R1.13 CCOc1cccc(c1Cl)F 34a_100000087408_100000210202 [1,1,0,0,0,0|1,0,0]=3 7711 B11R1.13 CCOc1cccc(c1Cl)F 7a_100000087408_100000210202 [1,1,0,0,0,0|1,0,0]=3 7712 B11R1.13 CCOc1cccc(c1Cl)I 34a_100000049636_100000210202 [1,1,0,0,0,0|1,0,0]=3 7713 B11R1.13 CCOc1cccc(c1Cl)I 7a_100000049636_100000210202 [1,1,0,0,0,0|1,0,0]=3 7714 B11R1.13 CCOc1cccc(c1Cl)N 34a_100012002038_100000210202 [1,1,0,0,0,0|1,0,0]=3 7715 B11R1.13 CCOc1cccc(c1Cl)N 7a_100012002038_100000210202 [1,1,0,0,0,0|1,0,0]=3 7716 B11R1.13 CCOc1cccc(c1F)Br 34a_100009817021_100000210202 [1,1,0,0,0,0|1,1,0]=4 7717 B11R1.13 CCOc1cccc(c1F)Br 7a_100009817021_100000210202 [1,1,0,0,0,0|1,1,0]=4 7718 B11R1.13 CCOc1cccc(c1F)C 34a_100000751311_100000210202 [1,1,0,0,0,0|1,1,0]=4 7719 B11R1.13 CCOc1cccc(c1F)C 7a_100000751311_100000210202 [1,1,0,0,0,0|1,1,0]=4 7720 B11R1.13 CCOc1cccc(c1F)Cl 34a_100000687438_100000210202 [1,1,0,0,0,0|1,1,0]=4 7721 B11R1.13 CCOc1cccc(c1F)Cl 7a_100000687438_100000210202 [1,1,0,0,0,0|1,1,0]=4 7722 B11R1.13 CCOc1cccc(c1F)F 34a_100000751161_100000210202 [1,1,0,0,0,0|1,1,0]=4 7723 B11R1.13 CCOc1cccc(c1F)F 7a_100000751161_100000210202 [1,1,0,0,0,0|1,1,0]=4 7724 B11R1.13 CCOc1cccc(c1I)Br 34a_100010187912_100000210202 [1,1,0,0,0,0|1,1,0]=4 7725 B11R1.13 CCOc1cccc(c1I)Br 7a_100010187912_100000210202 [1,1,0,0,0,0|1,1,0]=4 7726 B11R1.13 CCOc1cccc(c1I)C 34a_100010083724_100000210202 [1,1,0,0,0,0|1,1,0]=4 7727 B11R1.13 CCOc1cccc(c1I)C 7a_100010083724_100000210202 [1,1,0,0,0,0|1,1,0]=4 7728 B11R1.13 CCOc1cccc(c1I)Cl 34a_100000050174_100000210202 [1,1,0,0,0,0|1,1,0]=4 7729 B11R1.13 CCOc1cccc(c1I)Cl 7a_100000050174_100000210202 [1,1,0,0,0,0|1,1,0]=4 7730 B11R1.13 CCOc1cccc(c1I)F 34a_100000690913_100000210202 [1,1,0,0,0,0|1,1,0]=4 7731 B11R1.13 CCOc1cccc(c1I)F 7a_100000690913_100000210202 [1,1,0,0,0,0|1,1,0]=4 7732 B11R1.13 CCOc1cccc(c1N)Br 34a_100011934926_100000210202 [1,1,0,0,0,0|2,0,0]=4 7733 B11R1.13 CCOc1cccc(c1N)Br 7a_100011934926_100000210202 [1,1,0,0,0,0|2,0,0]=4 7734 B11R1.13 CCOc1cccc(c1N)C 34a_100000743429_100000210202 [1,1,0,0,0,0|2,0,0]=4 7735 B11R1.13 CCOc1cccc(c1N)C 7a_100000743429_100000210202 [1,1,0,0,0,0|2,0,0]=4 7736 B11R1.13 CCOc1cccc(c1N)Cl 34a_100012022510_100000210202 [1,1,0,0,0,0|2,0,0]=4 7737 B11R1.13 CCOc1cccc(c1N)Cl 7a_100012022510_100000210202 [1,1,0,0,0,0|2,0,0]=4 7738 B11R1.13 CCOc1cccc(c1N)F 34a_100020591140_100000210202 [1,1,0,0,0,0|2,0,0]=4 7739 B11R1.13 CCOc1cccc(c1N)F 7a_100020591140_100000210202 [1,1,0,0,0,0|2,0,0]=4 7740 B11R1.13 CCOc1cccc(c1N)I 34a_200000049512_100000210202 [1,1,0,0,0,0|2,0,0]=4 7741 B11R1.13 CCOc1cccc(c1N)I 7a_200000049512_100000210202 [1,1,0,0,0,0|2,0,0]=4 7742 B11R1.13 CCOc1cccc(c1N)N 34a_100000033209_100000210202 [1,1,0,0,0,0|2,0,0]=4 7743 B11R1.13 CCOc1cccc(c1N)O 271570a_203496583355_200103155331 [1,1,0,0,0,0|2,0,0]=4 7744 B11R1.13 CCOc1ccnc(c1Cl)Cl 34a_100009860235_100000210202 [1,1,0,0,0,0|2,0,0]=4 7745 B11R1.13 CCOc1nccc(c1Cl)N 34a_200000093555_100000210202 [1,1,0,0,0,0|2,0,0]=4 7746 B11R1.13 CCSc1cccc(c1Br)Br 62a_100000210202_100010175083 [1,1,0,0,0,0|1,1,0]=4 7747 B11R1.13 CCSc1cccc(c1Br)Br 62a_100010175083_100000210202 [1,1,0,0,0,0|1,1,0]=4 7748 B11R1.13 CCSc1cccc(c1Br)C 62a_100000210202_100012362457 [1,1,0,0,0,0|1,1,0]=4 7749 B11R1.13 CCSc1cccc(c1Br)C 62a_100012362457_100000210202 [1,1,0,0,0,0|1,1,0]=4 7750 B11R1.13 CCSc1cccc(c1Br)Cl 62a_100000210202_100014021842 [1,1,0,0,0,0|1,1,0]=4 7751 B11R1.13 CCSc1cccc(c1Br)Cl 62a_100014021842_100000210202 [1,1,0,0,0,0|1,1,0]=4 7752 B11R1.13 CCSc1cccc(c1Br)F 62a_100000210202_100010202630 [1,1,0,0,0,0|1,1,0]=4 7753 B11R1.13 CCSc1cccc(c1Br)F 62a_100010202630_100000210202 [1,1,0,0,0,0|1,1,0]=4 7754 B11R1.13 CCSc1cccc(c1Br)O 62a_100000210202_100010187914 [1,1,0,0,0,0|1,1,0]=4 7755 B11R1.13 CCSc1cccc(c1Br)O 62a_100010187914_100000210202 [1,1,0,0,0,0|1,1,0]=4 7756 B11R1.13 CCSc1cccc(c1C)Br 62a_100000210202_100012353703 [1,1,0,0,0,0|2,0,0]=4 7757 B11R1.13 CCSc1cccc(c1C)Br 62a_100012353703_100000210202 [1,1,0,0,0,0|2,0,0]=4 7758 B11R1.13 CCSc1cccc(c1C)C 62a_100000210202_100011214922 [1,1,0,0,0,0|2,0,0]=4 7759 B11R1.13 CCSc1cccc(c1C)C 62a_100011214922_100000210202 [1,1,0,0,0,0|2,0,0]=4 7760 B11R1.13 CCSc1cccc(c1C)Cl 62a_100000210202_100000726075 [1,1,0,0,0,0|2,0,0]=4 7761 B11R1.13 CCSc1cccc(c1C)Cl 62a_100000726075_100000210202 [1,1,0,0,0,0|2,0,0]=4 7762 B11R1.13 CCSc1cccc(c1C)F 62a_100000210202_100011216893 [1,1,0,0,0,0|2,0,0]=4 7763 B11R1.13 CCSc1cccc(c1C)F 62a_100011216893_100000210202 [1,1,0,0,0,0|2,0,0]=4 7764 B11R1.13 CCSc1cccc(c1C)N 62a_100000210202_100000761887 [1,1,0,0,0,0|2,0,0]=4 7765 B11R1.13 CCSc1cccc(c1C)N 62a_100000761887_100000210202 [1,1,0,0,0,0|2,0,0]=4 7766 B11R1.13 CCSc1cccc(c1C)O 62a_100000210202_100012002258 [1,1,0,0,0,0|2,0,0]=4 7767 B11R1.13 CCSc1cccc(c1C)O 62a_100012002258_100000210202 [1,1,0,0,0,0|2,0,0]=4 7768 B11R1.13 CCSc1cccc(c1Cl)Br 62a_100000210202_100010142854 [1,1,0,0,0,0|1,0,0]=3 7769 B11R1.13 CCSc1cccc(c1Cl)Br 62a_100010142854_100000210202 [1,1,0,0,0,0|1,0,0]=3 7770 B11R1.13 CCSc1cccc(c1Cl)C 62a_100000210202_200012352035 [1,1,0,0,0,0|1,0,0]=3 7771 B11R1.13 CCSc1cccc(c1Cl)C 62a_200012352035_100000210202 [1,1,0,0,0,0|1,0,0]=3 7772 B11R1.13 CCSc1cccc(c1Cl)Cl 62a_100000210202_100011215384 [1,1,0,0,0,0|1,0,0]=3 7773 B11R1.13 CCSc1cccc(c1Cl)Cl 62a_100011215384_100000210202 [1,1,0,0,0,0|1,0,0]=3 7774 B11R1.13 CCSc1cccc(c1Cl)F 62a_100000210202_200010234923 [1,1,0,0,0,0|1,0,0]=3 7775 B11R1.13 CCSc1cccc(c1Cl)F 62a_200010234923_100000210202 [1,1,0,0,0,0|1,0,0]=3 7776 B11R1.13 CCSc1cccc(c1Cl)O 62a_100000210202_100000049636 [1,1,0,0,0,0|1,0,0]=3 7777 B11R1.13 CCSc1cccc(c1F)Br 62a_100000210202_100000702267 [1,1,0,0,0,0|1,1,0]=4 7778 B11R1.13 CCSc1cccc(c1F)Br 62a_100000702267_100000210202 [1,1,0,0,0,0|1,1,0]=4 7779 B11R1.13 CCSc1cccc(c1F)C 62a_100000210202_100000717567 [1,1,0,0,0,0|1,1,0]=4 7780 B11R1.13 CCSc1cccc(c1F)C 62a_100000717567_100000210202 [1,1,0,0,0,0|1,1,0]=4 7781 B11R1.13 CCSc1cccc(c1F)Cl 62a_100000210202_100011217346 [1,1,0,0,0,0|1,1,0]=4 7782 B11R1.13 CCSc1cccc(c1F)Cl 62a_100011217346_100000210202 [1,1,0,0,0,0|1,1,0]=4 7783 B11R1.13 CCSc1cccc(c1F)F 62a_100000210202_100000694657 [1,1,0,0,0,0|1,1,0]=4 7784 B11R1.13 CCSc1cccc(c1F)F 62a_100000694657_100000210202 [1,1,0,0,0,0|1,1,0]=4 7785 B11R1.13 CCSc1cccc(c1F)N 62a_100000210202_100011935091 [1,1,0,0,0,0|1,1,0]=4 7786 B11R1.13 CCSc1cccc(c1F)N 62a_100011935091_100000210202 [1,1,0,0,0,0|1,1,0]=4 7787 B11R1.13 CCSc1cccc(c1F)O 62a_100000210202_100009817021 [1,1,0,0,0,0|1,1,0]=4 7788 B11R1.13 CCSc1cccc(c1F)O 62a_100009817021_100000210202 [1,1,0,0,0,0|1,1,0]=4 7789 B11R1.13 CCSc1cccc(c1N)Br 62a_100000210202_100010146558 [1,1,0,0,0,0|2,0,0]=4 7790 B11R1.13 CCSc1cccc(c1N)Br 62a_100010146558_100000210202 [1,1,0,0,0,0|2,0,0]=4 7791 B11R1.13 CCSc1cccc(c1N)C 62a_100000210202_100011834072 [1,1,0,0,0,0|2,0,0]=4 7792 B11R1.13 CCSc1cccc(c1N)C 62a_100011834072_100000210202 [1,1,0,0,0,0|2,0,0]=4 7793 B11R1.13 CCSc1cccc(c1N)Cl 62a_100000210202_100010190421 [1,1,0,0,0,0|2,0,0]=4 7794 B11R1.13 CCSc1cccc(c1N)Cl 62a_100010190421_100000210202 [1,1,0,0,0,0|2,0,0]=4 7795 B11R1.13 CCSc1cccc(c1N)F 62a_100000042321_100000210202 [1,1,0,0,0,0|2,0,0]=4 7796 B11R1.13 CCSc1cccc(c1N)F 62a_100000210202_100000042321 [1,1,0,0,0,0|2,0,0]=4 7797 B11R1.13 CCSc1cccc(c1N)N 62a_100015191791_100000210202 [1,1,0,0,0,0|2,0,0]=4 7798 B11R1.13 CCSc1cccc(c1N)O 62a_100000210202_100011934926 [1,1,0,0,0,0|2,0,0]=4 7799 B11R1.13 CCSc1cccc(c1O)Br 62a_100000210202_100010084509 [1,1,0,0,0,0|2,0,0]=4 7800 B11R1.13 CCSc1cccc(c1O)Br 62a_100010084509_100000210202 [1,1,0,0,0,0|2,0,0]=4 7801 B11R1.13 CCSc1cccc(c1O)C 62a_100000210202_100009817157 [1,1,0,0,0,0|2,0,0]=4 7802 B11R1.13 CCSc1cccc(c1O)C 62a_100009817157_100000210202 [1,1,0,0,0,0|2,0,0]=4 7803 B11R1.13 CCSc1cccc(c1O)Cl 62a_100000210202_100010202889 [1,1,0,0,0,0|2,0,0]=4 7804 B11R1.13 CCSc1cccc(c1O)Cl 62a_100010202889_100000210202 [1,1,0,0,0,0|2,0,0]=4 7805 B11R1.13 CCSc1cccc(c1O)F 62a_100000210202_100009813666 [1,1,0,0,0,0|2,0,0]=4 7806 B11R1.13 CCSc1cccc(c1O)F 62a_100009813666_100000210202 [1,1,0,0,0,0|2,0,0]=4 7807 B11R1.13 CCSc1cccc(c1O)N 62a_100000210202_100010084371 [1,1,0,0,0,0|2,0,0]=4 7808 B11R1.13 CCSc1cccc(c1O)N 62a_100011934915_100000210202 [1,1,0,0,0,0|2,0,0]=4 7809 B11R1.13 CCSc1cccc(c1O)O 62a_100000210202_100009815950 [1,1,0,0,0,0|2,0,0]=4 7810 B11R1.13 CCSc1ccnc(c1Cl)C 62a_100000210202_100000698670 [1,1,0,0,0,0|2,0,0]=4 7811 B11R1.13 CCSc1ccnc(c1Cl)C 62a_100000698670_100000210202 [1,1,0,0,0,0|2,0,0]=4 7812 B11R1.13 CCSc1ccnc(c1Cl)Cl 62a_100000210202_100010246212 [1,1,0,0,0,0|2,0,0]=4 7813 B11R1.13 CCSc1ccnc(c1Cl)Cl 62a_100010246212_100000210202 [1,1,0,0,0,0|2,0,0]=4 7814 B11R1.13 CCSc1ccnc(c1Cl)F 62a_100000210202_100010067886 [1,1,0,0,0,0|2,0,0]=4 7815 B11R1.13 CCSc1ccnc(c1Cl)F 62a_100010067886_100000210202 [1,1,0,0,0,0|2,0,0]=4 7816 B11R1.13 CCSc1ccnc(c1Cl)N 62a_100000210202_100010735111 [1,1,0,0,0,0|2,0,0]=4 7817 B11R1.13 CCSc1ccnc(c1Cl)N 62a_100010735111_100000210202 [1,1,0,0,0,0|2,0,0]=4 7818 B11R1.13 CNCc1cccc(c1Br)Br 207a_100102657272_100010240334 [1,1,0,0,0,0|0,1,0]=3 7819 B11R1.13 CNCc1cccc(c1Br)Br 26a_100102657272_100010187966 [1,1,0,0,0,0|0,1,0]=3 7820 B11R1.13 CNCc1cccc(c1Br)Br 270004a_106832991635_100010240334 [1,1,0,0,0,0|0,1,0]=3 7821 B11R1.13 CNCc1cccc(c1Br)C 207a_100102657272_100012186367 [1,1,0,0,0,0|0,1,0]=3 7822 B11R1.13 CNCc1cccc(c1Br)C 2230a_106832991635_200012349612 [1,1,0,0,0,0|0,1,0]=3 7823 B11R1.13 CNCc1cccc(c1Br)C 26a_100102657272_100000686692 [1,1,0,0,0,0|0,1,0]=3 7824 B11R1.13 CNCc1cccc(c1Br)C 270004a_106832991635_100012186367 [1,1,0,0,0,0|0,1,0]=3 7825 B11R1.13 CNCc1cccc(c1Br)C 34a_100102657272_200012349612 [1,1,0,0,0,0|0,1,0]=3 7826 B11R1.13 CNCc1cccc(c1Br)C 7a_106832991635_200012349612 [1,1,0,0,0,0|0,1,0]=3 7827 B11R1.13 CNCc1cccc(c1Br)Cl 207a_100102657272_100010232083 [1,1,0,0,0,0|0,1,0]=3 7828 B11R1.13 CNCc1cccc(c1Br)Cl 2230a_106832991635_100010145525 [1,1,0,0,0,0|0,1,0]=3 7829 B11R1.13 CNCc1cccc(c1Br)Cl 26a_100102657272_100012348804 [1,1,0,0,0,0|0,1,0]=3 7830 B11R1.13 CNCc1cccc(c1Br)Cl 270004a_106832991635_100010232083 [1,1,0,0,0,0|0,1,0]=3 7831 B11R1.13 CNCc1cccc(c1Br)Cl 34a_100102657272_100010145525 [1,1,0,0,0,0|0,1,0]=3 7832 B11R1.13 CNCc1cccc(c1Br)Cl 7a_106832991635_100010145525 [1,1,0,0,0,0|0,1,0]=3 7833 B11R1.13 CNCc1cccc(c1Br)F 207a_100102657272_100011934749 [1,1,0,0,0,0|0,1,0]=3 7834 B11R1.13 CNCc1cccc(c1Br)F 2230a_100020638964_200000210301 [1,1,0,0,0,0|0,1,0]=3 7835 B11R1.13 CNCc1cccc(c1Br)F 2230a_106832991635_100012351116 [1,1,0,0,0,0|0,1,0]=3 7836 B11R1.13 CNCc1cccc(c1Br)F 26a_100102657272_100009820682 [1,1,0,0,0,0|0,1,0]=3 7837 B11R1.13 CNCc1cccc(c1Br)F 270004a_106832991635_100011934749 [1,1,0,0,0,0|0,1,0]=3 7838 B11R1.13 CNCc1cccc(c1Br)F 34a_100020638964_200000210301 [1,1,0,0,0,0|0,1,0]=3 7839 B11R1.13 CNCc1cccc(c1Br)F 34a_100102657272_100012351116 [1,1,0,0,0,0|0,1,0]=3 7840 B11R1.13 CNCc1cccc(c1Br)F 7a_106832991635_100012351116 [1,1,0,0,0,0|0,1,0]=3 7841 B11R1.13 CNCc1cccc(c1Br)I 2230a_106832991635_100010254545 [1,1,0,0,0,0|0,1,0]=3 7842 B11R1.13 CNCc1cccc(c1Br)I 26a_100102657272_100010187914 [1,1,0,0,0,0|0,1,0]=3 7843 B11R1.13 CNCc1cccc(c1Br)I 34a_100102657272_100010254545 [1,1,0,0,0,0|0,1,0]=3 7844 B11R1.13 CNCc1cccc(c1Br)I 7a_106832991635_100010254545 [1,1,0,0,0,0|0,1,0]=3 7845 B11R1.13 CNCc1cccc(c1C)Br 207a_100102657272_100012179384 [1,1,0,0,0,0|1,0,0]=3 7846 B11R1.13 CNCc1cccc(c1C)Br 2230a_106832991635_100000694682 [1,1,0,0,0,0|1,0,0]=3 7847 B11R1.13 CNCc1cccc(c1C)Br 26a_100102657272_100012002258 [1,1,0,0,0,0|1,0,0]=3 7848 B11R1.13 CNCc1cccc(c1C)Br 270004a_106832991635_100012179384 [1,1,0,0,0,0|1,0,0]=3 7849 B11R1.13 CNCc1cccc(c1C)Br 34a_100000724210_200000210301 [1,1,0,0,0,0|1,0,0]=3 7850 B11R1.13 CNCc1cccc(c1C)Br 34a_100102657272_100000694682 [1,1,0,0,0,0|1,0,0]=3 7851 B11R1.13 CNCc1cccc(c1C)Br 7a_106832991635_100000694682 [1,1,0,0,0,0|1,0,0]=3 7852 B11R1.13 CNCc1cccc(c1C)C 207a_100102657272_100000229941 [1,1,0,0,0,0|1,0,0]=3 7853 B11R1.13 CNCc1cccc(c1C)C 2230a_100011211637_200000210301 [1,1,0,0,0,0|1,0,0]=3 7854 B11R1.13 CNCc1cccc(c1C)C 2230a_106832991635_100011515928 [1,1,0,0,0,0|1,0,0]=3 7855 B11R1.13 CNCc1cccc(c1C)C 270004a_106832991635_100000229941 [1,1,0,0,0,0|1,0,0]=3 7856 B11R1.13 CNCc1cccc(c1C)C 34a_100011211637_200000210301 [1,1,0,0,0,0|1,0,0]=3 7857 B11R1.13 CNCc1cccc(c1C)C 34a_100102657272_100011273979 [1,1,0,0,0,0|1,0,0]=3 7858 B11R1.13 CNCc1cccc(c1C)C 7a_106832991635_100011515928 [1,1,0,0,0,0|1,0,0]=3 7859 B11R1.13 CNCc1cccc(c1C)Cl 207a_100102657272_100012002129 [1,1,0,0,0,0|1,0,0]=3 7860 B11R1.13 CNCc1cccc(c1C)Cl 2230a_100020639605_200000210301 [1,1,0,0,0,0|1,0,0]=3 7861 B11R1.13 CNCc1cccc(c1C)Cl 2230a_106832991635_100012186920 [1,1,0,0,0,0|1,0,0]=3 7862 B11R1.13 CNCc1cccc(c1C)Cl 270004a_106832991635_100012002129 [1,1,0,0,0,0|1,0,0]=3 7863 B11R1.13 CNCc1cccc(c1C)Cl 34a_100020639605_200000210301 [1,1,0,0,0,0|1,0,0]=3 7864 B11R1.13 CNCc1cccc(c1C)Cl 34a_100102657272_100012186920 [1,1,0,0,0,0|1,0,0]=3 7865 B11R1.13 CNCc1cccc(c1C)Cl 7a_106832991635_100012186920 [1,1,0,0,0,0|1,0,0]=3 7866 B11R1.13 CNCc1cccc(c1C)F 207a_100102657272_100000037668 [1,1,0,0,0,0|1,0,0]=3 7867 B11R1.13 CNCc1cccc(c1C)F 2230a_100132306986_200000210301 [1,1,0,0,0,0|1,0,0]=3 7868 B11R1.13 CNCc1cccc(c1C)F 2230a_106832991635_100009813626 [1,1,0,0,0,0|1,0,0]=3 7869 B11R1.13 CNCc1cccc(c1C)F 270004a_106832991635_100000037668 [1,1,0,0,0,0|1,0,0]=3 7870 B11R1.13 CNCc1cccc(c1C)F 34a_100102657272_100009813626 [1,1,0,0,0,0|1,0,0]=3 7871 B11R1.13 CNCc1cccc(c1C)F 34a_100132306986_200000210301 [1,1,0,0,0,0|1,0,0]=3 7872 B11R1.13 CNCc1cccc(c1C)F 7a_106832991635_100009813626 [1,1,0,0,0,0|1,0,0]=3 7873 B11R1.13 CNCc1cccc(c1C)I 2230a_106832991635_100010150147 [1,1,0,0,0,0|1,0,0]=3 7874 B11R1.13 CNCc1cccc(c1C)I 34a_100102657272_100010150147 [1,1,0,0,0,0|1,0,0]=3 7875 B11R1.13 CNCc1cccc(c1C)I 7a_106832991635_100010150147 [1,1,0,0,0,0|1,0,0]=3 7876 B11R1.13 CNCc1cccc(c1C)O 270004a_106832991635_100009868165 [1,1,0,0,0,0|1,0,0]=3 7877 B11R1.13 CNCc1cccc(c1Cl)Br 207a_100102657272_100012362481 [1,1,0,0,0,0|0,0,0]=2 7878 B11R1.13 CNCc1cccc(c1Cl)Br 2230a_106832991635_100012349491 [1,1,0,0,0,0|0,0,0]=2 7879 B11R1.13 CNCc1cccc(c1Cl)Br 26a_100102657272_100010187913 [1,1,0,0,0,0|0,0,0]=2 7880 B11R1.13 CNCc1cccc(c1Cl)Br 270004a_106832991635_100012362481 [1,1,0,0,0,0|0,0,0]=2 7881 B11R1.13 CNCc1cccc(c1Cl)Br 34a_100102657272_100012349491 [1,1,0,0,0,0|0,0,0]=2 7882 B11R1.13 CNCc1cccc(c1Cl)Br 7a_106832991635_100012349491 [1,1,0,0,0,0|0,0,0]=2 7883 B11R1.13 CNCc1cccc(c1Cl)C 207a_100102657272_100012017286 [1,1,0,0,0,0|0,0,0]=2 7884 B11R1.13 CNCc1cccc(c1Cl)C 2230a_100025705714_200000210301 [1,1,0,0,0,0|0,0,0]=2 7885 B11R1.13 CNCc1cccc(c1Cl)C 26a_100102657272_100000695629 [1,1,0,0,0,0|0,0,0]=2 7886 B11R1.13 CNCc1cccc(c1Cl)C 270004a_106832991635_100012017286 [1,1,0,0,0,0|0,0,0]=2 7887 B11R1.13 CNCc1cccc(c1Cl)C 34a_100025705714_200000210301 [1,1,0,0,0,0|0,0,0]=2 7888 B11R1.13 CNCc1cccc(c1Cl)Cl 207a_100102657272_100000210504 [1,1,0,0,0,0|0,0,0]=2 7889 B11R1.13 CNCc1cccc(c1Cl)Cl 2230a_100011211633_200000210301 [1,1,0,0,0,0|0,0,0]=2 7890 B11R1.13 CNCc1cccc(c1Cl)Cl 2230a_106832991635_100000723366 [1,1,0,0,0,0|0,0,0]=2 7891 B11R1.13 CNCc1cccc(c1Cl)Cl 26a_100102657272_100000211076 [1,1,0,0,0,0|0,0,0]=2 7892 B11R1.13 CNCc1cccc(c1Cl)Cl 270004a_106832991635_100000210504 [1,1,0,0,0,0|0,0,0]=2 7893 B11R1.13 CNCc1cccc(c1Cl)Cl 34a_100011211633_200000210301 [1,1,0,0,0,0|0,0,0]=2 7894 B11R1.13 CNCc1cccc(c1Cl)Cl 34a_100102657272_100000723366 [1,1,0,0,0,0|0,0,0]=2 7895 B11R1.13 CNCc1cccc(c1Cl)Cl 7a_106832991635_100000723366 [1,1,0,0,0,0|0,0,0]=2 7896 B11R1.13 CNCc1cccc(c1Cl)F 207a_100102657272_100011998484 [1,1,0,0,0,0|0,0,0]=2 7897 B11R1.13 CNCc1cccc(c1Cl)F 2230a_100012001614_200000210301 [1,1,0,0,0,0|0,0,0]=2 7898 B11R1.13 CNCc1cccc(c1Cl)F 2230a_106832991635_100000696688 [1,1,0,0,0,0|0,0,0]=2 7899 B11R1.13 CNCc1cccc(c1Cl)F 26a_100102657272_100000087408 [1,1,0,0,0,0|0,0,0]=2 7900 B11R1.13 CNCc1cccc(c1Cl)F 270004a_106832991635_100011998484 [1,1,0,0,0,0|0,0,0]=2 7901 B11R1.13 CNCc1cccc(c1Cl)F 34a_100012001614_200000210301 [1,1,0,0,0,0|0,0,0]=2 7902 B11R1.13 CNCc1cccc(c1Cl)F 34a_100102657272_100000696688 [1,1,0,0,0,0|0,0,0]=2 7903 B11R1.13 CNCc1cccc(c1Cl)F 7a_106832991635_100000696688 [1,1,0,0,0,0|0,0,0]=2 7904 B11R1.13 CNCc1cccc(c1Cl)I 26a_100102657272_100000049636 [1,1,0,0,0,0|0,0,0]=2 7905 B11R1.13 CNCc1cccc(c1Cl)O 270004a_106832991635_100000050521 [1,1,0,0,0,0|0,0,0]=2 7906 B11R1.13 CNCc1cccc(c1F)Br 207a_100102657272_100011361543 [1,1,0,0,0,0|0,1,0]=3 7907 B11R1.13 CNCc1cccc(c1F)Br 2230a_100015189953_200000210301 [1,1,0,0,0,0|0,1,0]=3 7908 B11R1.13 CNCc1cccc(c1F)Br 2230a_106832991635_100012356506 [1,1,0,0,0,0|0,1,0]=3 7909 B11R1.13 CNCc1cccc(c1F)Br 26a_100102657272_100009817021 [1,1,0,0,0,0|0,1,0]=3 7910 B11R1.13 CNCc1cccc(c1F)Br 270004a_106832991635_100011361543 [1,1,0,0,0,0|0,1,0]=3 7911 B11R1.13 CNCc1cccc(c1F)Br 34a_100015189953_200000210301 [1,1,0,0,0,0|0,1,0]=3 7912 B11R1.13 CNCc1cccc(c1F)Br 34a_100102657272_100012356506 [1,1,0,0,0,0|0,1,0]=3 7913 B11R1.13 CNCc1cccc(c1F)Br 7a_106832991635_100012356506 [1,1,0,0,0,0|0,1,0]=3 7914 B11R1.13 CNCc1cccc(c1F)C 207a_100102657272_100011219516 [1,1,0,0,0,0|0,1,0]=3 7915 B11R1.13 CNCc1cccc(c1F)C 2230a_100012002060_200000210301 [1,1,0,0,0,0|0,1,0]=3 7916 B11R1.13 CNCc1cccc(c1F)C 2230a_106832991635_100011216058 [1,1,0,0,0,0|0,1,0]=3 7917 B11R1.13 CNCc1cccc(c1F)C 270004a_106832991635_100011219516 [1,1,0,0,0,0|0,1,0]=3 7918 B11R1.13 CNCc1cccc(c1F)C 34a_100012002060_200000210301 [1,1,0,0,0,0|0,1,0]=3 7919 B11R1.13 CNCc1cccc(c1F)C 34a_100102657272_100011216058 [1,1,0,0,0,0|0,1,0]=3 7920 B11R1.13 CNCc1cccc(c1F)C 7a_106832991635_100011216058 [1,1,0,0,0,0|0,1,0]=3 7921 B11R1.13 CNCc1cccc(c1F)Cl 207a_100102657272_100000766533 [1,1,0,0,0,0|0,1,0]=3 7922 B11R1.13 CNCc1cccc(c1F)Cl 2230a_100000764326_200000210301 [1,1,0,0,0,0|0,1,0]=3 7923 B11R1.13 CNCc1cccc(c1F)Cl 2230a_106832991635_100000716733 [1,1,0,0,0,0|0,1,0]=3 7924 B11R1.13 CNCc1cccc(c1F)Cl 26a_100102657272_100000687438 [1,1,0,0,0,0|0,1,0]=3 7925 B11R1.13 CNCc1cccc(c1F)Cl 270004a_106832991635_100000766533 [1,1,0,0,0,0|0,1,0]=3 7926 B11R1.13 CNCc1cccc(c1F)Cl 34a_100000764326_200000210301 [1,1,0,0,0,0|0,1,0]=3 7927 B11R1.13 CNCc1cccc(c1F)Cl 34a_100102657272_100000716733 [1,1,0,0,0,0|0,1,0]=3 7928 B11R1.13 CNCc1cccc(c1F)Cl 7a_106832991635_100000716733 [1,1,0,0,0,0|0,1,0]=3 7929 B11R1.13 CNCc1cccc(c1F)F 207a_100102657272_100000753312 [1,1,0,0,0,0|0,1,0]=3 7930 B11R1.13 CNCc1cccc(c1F)F 2230a_100011199105_200000210301 [1,1,0,0,0,0|0,1,0]=3 7931 B11R1.13 CNCc1cccc(c1F)F 2230a_106832991635_100000217499 [1,1,0,0,0,0|0,1,0]=3 7932 B11R1.13 CNCc1cccc(c1F)F 270004a_106832991635_100000753312 [1,1,0,0,0,0|0,1,0]=3 7933 B11R1.13 CNCc1cccc(c1F)F 34a_100011199105_200000210301 [1,1,0,0,0,0|0,1,0]=3 7934 B11R1.13 CNCc1cccc(c1F)F 34a_100102657272_100000217499 [1,1,0,0,0,0|0,1,0]=3 7935 B11R1.13 CNCc1cccc(c1F)F 7a_106832991635_100000217499 [1,1,0,0,0,0|0,1,0]=3 7936 B11R1.13 CNCc1cccc(c1F)I 207a_100102657272_100010202174 [1,1,0,0,0,0|0,1,0]=3 7937 B11R1.13 CNCc1cccc(c1F)I 270004a_106832991635_100010202174 [1,1,0,0,0,0|0,1,0]=3 7938 B11R1.13 CNCc1cccc(c1F)O 271570a_203496583355_114873767014 [1,1,0,0,0,0|0,1,0]=3 7939 B11R1.13 CNCc1cccc(c1F)O 34a_100025773512_200000210301 [1,1,0,0,0,0|0,1,0]=3 7940 B11R1.13 CNCc1cccc(c1I)Br 26a_100102657272_100010187912 [1,1,0,0,0,0|0,1,0]=3 7941 B11R1.13 CNCc1cccc(c1I)F 207a_100102657272_100010186293 [1,1,0,0,0,0|0,1,0]=3 7942 B11R1.13 CNCc1cccc(c1I)F 2230a_106832991635_100010149603 [1,1,0,0,0,0|0,1,0]=3 7943 B11R1.13 CNCc1cccc(c1I)F 270004a_106832991635_100010186293 [1,1,0,0,0,0|0,1,0]=3 7944 B11R1.13 CNCc1cccc(c1I)F 34a_100102657272_100010149603 [1,1,0,0,0,0|0,1,0]=3 7945 B11R1.13 CNCc1cccc(c1I)F 7a_106832991635_100010149603 [1,1,0,0,0,0|0,1,0]=3 7946 B11R1.13 CNCc1cccc(c1O)C 34a_100020639391_200000210301 [1,1,0,0,0,0|1,0,0]=3 7947 B11R1.13 CNCc1cccn(c1=O)C 207a_100102657272_100010354164 [1,1,0,0,0,0|2,0,0]=4 7948 B11R1.13 CNCc1cccn(c1=O)C 270004a_106832991635_100010354164 [1,1,0,0,0,0|2,0,0]=4 7949 B11R1.13 CNCc1ccnc(c1Br)Cl 207a_100102657272_200010064870 [1,1,0,0,0,0|1,1,0]=4 7950 B11R1.13 CNCc1ccnc(c1C)Cl 207a_100102657272_100000096011 [1,1,0,0,0,0|2,0,0]=4 7951 B11R1.13 CNCc1ccnc(c1C)Cl 270004a_106832991635_100000096011 [1,1,0,0,0,0|2,0,0]=4 7952 B11R1.13 CNCc1ccnc(c1Cl)Br 270004a_106832991635_100010171661 [1,1,0,0,0,0|1,0,0]=3 7953 B11R1.13 CNCc1ccnc(c1Cl)F 270004a_106832991635_100009856171 [1,1,0,0,0,0|1,0,0]=3 7954 B11R1.13 CNCc1cncc(c1C)Br 207a_100102657272_100010214934 [1,1,0,0,0,0|2,0,0]=4 7955 B11R1.13 CNCc1cncc(c1C)Br 270004a_106832991635_100010214934 [1,1,0,0,0,0|2,0,0]=4 7956 B11R1.13 CNCc1cncc(c1Cl)Br 207a_100102657272_100010173560 [1,1,0,0,0,0|1,0,0]=3 7957 B11R1.13 CNCc1nccc(c1C)Cl 2230a_106832991635_100020614443 [1,1,0,0,0,0|2,0,0]=4 7958 B11R1.13 CNCc1nccc(c1C)Cl 34a_100102657272_100020614443 [1,1,0,0,0,0|2,0,0]=4 7959 B11R1.13 CNCc1nccc(c1C)Cl 7a_106832991635_100020614443 [1,1,0,0,0,0|2,0,0]=4 7960 B11R1.13 CNCc1nccc(c1F)Br 270004a_106832991635_100015713984 [1,1,0,0,0,0|1,1,0]=4 7961 B11R1.13 COCc1cccc(c1Br)C 34a_100011659289_200000210301 [1,1,0,0,0,0|1,1,0]=4 7962 B11R1.13 COCc1cccc(c1Br)C 34a_100138415774_200012349612 [1,1,0,0,0,0|1,1,0]=4 7963 B11R1.13 COCc1cccc(c1Br)C 7a_100011659289_200000210301 [1,1,0,0,0,0|1,1,0]=4 7964 B11R1.13 COCc1cccc(c1Br)Cl 34a_100010168166_200000210301 [1,1,0,0,0,0|1,1,0]=4 7965 B11R1.13 COCc1cccc(c1Br)Cl 34a_100138415774_100010145525 [1,1,0,0,0,0|1,1,0]=4 7966 B11R1.13 COCc1cccc(c1Br)Cl 7a_100010168166_200000210301 [1,1,0,0,0,0|1,1,0]=4 7967 B11R1.13 COCc1cccc(c1Br)F 34a_100012351117_200000210301 [1,1,0,0,0,0|1,1,0]=4 7968 B11R1.13 COCc1cccc(c1Br)F 34a_100138415774_100012351116 [1,1,0,0,0,0|1,1,0]=4 7969 B11R1.13 COCc1cccc(c1Br)F 7a_100012351117_200000210301 [1,1,0,0,0,0|1,1,0]=4 7970 B11R1.13 COCc1cccc(c1Br)I 34a_100010240205_200000210301 [1,1,0,0,0,0|1,1,0]=4 7971 B11R1.13 COCc1cccc(c1Br)I 34a_100138415774_100010254545 [1,1,0,0,0,0|1,1,0]=4 7972 B11R1.13 COCc1cccc(c1Br)I 7a_100010240205_200000210301 [1,1,0,0,0,0|1,1,0]=4 7973 B11R1.13 COCc1cccc(c1C)Br 34a_100000694458_200000210301 [1,1,0,0,0,0|2,0,0]=4 7974 B11R1.13 COCc1cccc(c1C)Br 34a_100138415774_100000694682 [1,1,0,0,0,0|2,0,0]=4 7975 B11R1.13 COCc1cccc(c1C)Br 7a_100000694458_200000210301 [1,1,0,0,0,0|2,0,0]=4 7976 B11R1.13 COCc1cccc(c1C)C 34a_100011219135_200000210301 [1,1,0,0,0,0|2,0,0]=4 7977 B11R1.13 COCc1cccc(c1C)C 34a_100138415774_100011273979 [1,1,0,0,0,0|2,0,0]=4 7978 B11R1.13 COCc1cccc(c1C)C 7a_100011219135_200000210301 [1,1,0,0,0,0|2,0,0]=4 7979 B11R1.13 COCc1cccc(c1C)Cl 34a_100012000165_200000210301 [1,1,0,0,0,0|2,0,0]=4 7980 B11R1.13 COCc1cccc(c1C)Cl 34a_100138415774_100012186920 [1,1,0,0,0,0|2,0,0]=4 7981 B11R1.13 COCc1cccc(c1C)Cl 7a_100012000165_200000210301 [1,1,0,0,0,0|2,0,0]=4 7982 B11R1.13 COCc1cccc(c1C)F 34a_100000042775_200000210301 [1,1,0,0,0,0|2,0,0]=4 7983 B11R1.13 COCc1cccc(c1C)F 34a_100138415774_100009813626 [1,1,0,0,0,0|2,0,0]=4 7984 B11R1.13 COCc1cccc(c1C)F 7a_100000042775_200000210301 [1,1,0,0,0,0|2,0,0]=4 7985 B11R1.13 COCc1cccc(c1C)I 34a_100010150139_200000210301 [1,1,0,0,0,0|2,0,0]=4 7986 B11R1.13 COCc1cccc(c1C)I 34a_100138415774_100010150147 [1,1,0,0,0,0|2,0,0]=4 7987 B11R1.13 COCc1cccc(c1C)I 7a_100010150139_200000210301 [1,1,0,0,0,0|2,0,0]=4 7988 B11R1.13 COCc1cccc(c1C)N 34a_102495339961_200000210301 [1,1,0,0,0,0|2,0,0]=4 7989 B11R1.13 COCc1cccc(c1C)N 7a_102495339961_200000210301 [1,1,0,0,0,0|2,0,0]=4 7990 B11R1.13 COCc1cccc(c1C)O 271570a_203496583355_100102485947 [1,1,0,0,0,0|2,0,0]=4 7991 B11R1.13 COCc1cccc(c1Cl)Br 34a_100012351182_200000210301 [1,1,0,0,0,0|1,0,0]=3 7992 B11R1.13 COCc1cccc(c1Cl)Br 34a_100138415774_100012349491 [1,1,0,0,0,0|1,0,0]=3 7993 B11R1.13 COCc1cccc(c1Cl)Br 7a_100012351182_200000210301 [1,1,0,0,0,0|1,0,0]=3 7994 B11R1.13 COCc1cccc(c1Cl)C 34a_100000710031_200000210301 [1,1,0,0,0,0|1,0,0]=3 7995 B11R1.13 COCc1cccc(c1Cl)C 7a_100000710031_200000210301 [1,1,0,0,0,0|1,0,0]=3 7996 B11R1.13 COCc1cccc(c1Cl)Cl 34a_100000720469_200000210301 [1,1,0,0,0,0|1,0,0]=3 7997 B11R1.13 COCc1cccc(c1Cl)Cl 34a_100138415774_100000723366 [1,1,0,0,0,0|1,0,0]=3 7998 B11R1.13 COCc1cccc(c1Cl)Cl 7a_100000720469_200000210301 [1,1,0,0,0,0|1,0,0]=3 7999 B11R1.13 COCc1cccc(c1Cl)F 34a_100000696319_200000210301 [1,1,0,0,0,0|1,0,0]=3 8000 B11R1.13 COCc1cccc(c1Cl)F 34a_100138415774_100000696688 [1,1,0,0,0,0|1,0,0]=3 8001 B11R1.13 COCc1cccc(c1Cl)F 7a_100000696319_200000210301 [1,1,0,0,0,0|1,0,0]=3 8002 B11R1.13 COCc1cccc(c1F)Br 34a_100011935076_200000210301 [1,1,0,0,0,0|1,1,0]=4 8003 B11R1.13 COCc1cccc(c1F)Br 34a_100138415774_100012356506 [1,1,0,0,0,0|1,1,0]=4 8004 B11R1.13 COCc1cccc(c1F)Br 7a_100011935076_200000210301 [1,1,0,0,0,0|1,1,0]=4 8005 B11R1.13 COCc1cccc(c1F)C 34a_100138415774_100011216058 [1,1,0,0,0,0|1,1,0]=4 8006 B11R1.13 COCc1cccc(c1F)C 34a_200011219517_200000210301 [1,1,0,0,0,0|1,1,0]=4 8007 B11R1.13 COCc1cccc(c1F)C 7a_200011219517_200000210301 [1,1,0,0,0,0|1,1,0]=4 8008 B11R1.13 COCc1cccc(c1F)Cl 34a_100011216988_200000210301 [1,1,0,0,0,0|1,1,0]=4 8009 B11R1.13 COCc1cccc(c1F)Cl 34a_100138415774_100000716733 [1,1,0,0,0,0|1,1,0]=4 8010 B11R1.13 COCc1cccc(c1F)Cl 7a_100011216988_200000210301 [1,1,0,0,0,0|1,1,0]=4 8011 B11R1.13 COCc1cccc(c1F)F 34a_100011218644_200000210301 [1,1,0,0,0,0|1,1,0]=4 8012 B11R1.13 COCc1cccc(c1F)F 34a_100138415774_100000217499 [1,1,0,0,0,0|1,1,0]=4 8013 B11R1.13 COCc1cccc(c1F)F 7a_100011218644_200000210301 [1,1,0,0,0,0|1,1,0]=4 8014 B11R1.13 COCc1cccc(c1F)I 34a_200010235739_200000210301 [1,1,0,0,0,0|1,1,0]=4 8015 B11R1.13 COCc1cccc(c1F)I 7a_200010235739_200000210301 [1,1,0,0,0,0|1,1,0]=4 8016 B11R1.13 COCc1cccc(c1F)N 34a_100012023829_200000210301 [1,1,0,0,0,0|1,1,0]=4 8017 B11R1.13 COCc1cccc(c1I)Br 34a_100010146604_200000210301 [1,1,0,0,0,0|1,1,0]=4 8018 B11R1.13 COCc1cccc(c1I)Br 7a_100010146604_200000210301 [1,1,0,0,0,0|1,1,0]=4 8019 B11R1.13 COCc1cccc(c1I)C 34a_100012349780_200000210301 [1,1,0,0,0,0|1,1,0]=4 8020 B11R1.13 COCc1cccc(c1I)C 7a_100012349780_200000210301 [1,1,0,0,0,0|1,1,0]=4 8021 B11R1.13 COCc1cccc(c1I)F 34a_100000692438_200000210301 [1,1,0,0,0,0|1,1,0]=4 8022 B11R1.13 COCc1cccc(c1I)F 34a_100138415774_100010149603 [1,1,0,0,0,0|1,1,0]=4 8023 B11R1.13 COCc1cccc(c1I)F 7a_100000692438_200000210301 [1,1,0,0,0,0|1,1,0]=4 8024 B11R1.13 COCc1cccc(c1N)Br 34a_100012349457_200000210301 [1,1,0,0,0,0|2,0,0]=4 8025 B11R1.13 COCc1cccc(c1N)C 34a_100011215590_200000210301 [1,1,0,0,0,0|2,0,0]=4 8026 B11R1.13 COCc1cccc(c1N)Cl 34a_100012182729_200000210301 [1,1,0,0,0,0|2,0,0]=4 8027 B11R1.13 COCc1cccc(c1N)F 34a_100000692437_200000210301 [1,1,0,0,0,0|2,0,0]=4 8028 B11R1.13 CSCc1cccc(c1Br)C 62a_200000210301_200012349612 [1,1,0,0,0,0|1,1,0]=4 8029 B11R1.13 CSCc1cccc(c1Br)C 62a_200012349612_200000210301 [1,1,0,0,0,0|1,1,0]=4 8030 B11R1.13 CSCc1cccc(c1Br)Cl 62a_100010145525_200000210301 [1,1,0,0,0,0|1,1,0]=4 8031 B11R1.13 CSCc1cccc(c1Br)Cl 62a_200000210301_100010145525 [1,1,0,0,0,0|1,1,0]=4 8032 B11R1.13 CSCc1cccc(c1Br)F 62a_100012351116_200000210301 [1,1,0,0,0,0|1,1,0]=4 8033 B11R1.13 CSCc1cccc(c1Br)F 62a_200000210301_100012351116 [1,1,0,0,0,0|1,1,0]=4 8034 B11R1.13 CSCc1cccc(c1Br)I 62a_100010254545_200000210301 [1,1,0,0,0,0|1,1,0]=4 8035 B11R1.13 CSCc1cccc(c1Br)I 62a_200000210301_100010254545 [1,1,0,0,0,0|1,1,0]=4 8036 B11R1.13 CSCc1cccc(c1C)Br 62a_100000694682_200000210301 [1,1,0,0,0,0|2,0,0]=4 8037 B11R1.13 CSCc1cccc(c1C)Br 62a_200000210301_100000694682 [1,1,0,0,0,0|2,0,0]=4 8038 B11R1.13 CSCc1cccc(c1C)C 62a_100011515928_200000210301 [1,1,0,0,0,0|2,0,0]=4 8039 B11R1.13 CSCc1cccc(c1C)C 62a_200000210301_100011515928 [1,1,0,0,0,0|2,0,0]=4 8040 B11R1.13 CSCc1cccc(c1C)Cl 62a_100012186920_200000210301 [1,1,0,0,0,0|2,0,0]=4 8041 B11R1.13 CSCc1cccc(c1C)Cl 62a_200000210301_100012186920 [1,1,0,0,0,0|2,0,0]=4 8042 B11R1.13 CSCc1cccc(c1C)F 62a_100009813626_200000210301 [1,1,0,0,0,0|2,0,0]=4 8043 B11R1.13 CSCc1cccc(c1C)F 62a_200000210301_100009813626 [1,1,0,0,0,0|2,0,0]=4 8044 B11R1.13 CSCc1cccc(c1C)I 62a_100010150147_200000210301 [1,1,0,0,0,0|2,0,0]=4 8045 B11R1.13 CSCc1cccc(c1C)I 62a_200000210301_100010150147 [1,1,0,0,0,0|2,0,0]=4 8046 B11R1.13 CSCc1cccc(c1Cl)Br 62a_100012349491_200000210301 [1,1,0,0,0,0|1,0,0]=3 8047 B11R1.13 CSCc1cccc(c1Cl)Br 62a_200000210301_100012349491 [1,1,0,0,0,0|1,0,0]=3 8048 B11R1.13 CSCc1cccc(c1Cl)Cl 62a_100000720918_200000210301 [1,1,0,0,0,0|1,0,0]=3 8049 B11R1.13 CSCc1cccc(c1Cl)Cl 62a_200000210301_100000723366 [1,1,0,0,0,0|1,0,0]=3 8050 B11R1.13 CSCc1cccc(c1Cl)F 62a_100000696688_200000210301 [1,1,0,0,0,0|1,0,0]=3 8051 B11R1.13 CSCc1cccc(c1Cl)F 62a_200000210301_100000696688 [1,1,0,0,0,0|1,0,0]=3 8052 B11R1.13 CSCc1cccc(c1F)Br 62a_100012356506_200000210301 [1,1,0,0,0,0|1,1,0]=4 8053 B11R1.13 CSCc1cccc(c1F)Br 62a_200000210301_100012356506 [1,1,0,0,0,0|1,1,0]=4 8054 B11R1.13 CSCc1cccc(c1F)C 62a_100011216058_200000210301 [1,1,0,0,0,0|1,1,0]=4 8055 B11R1.13 CSCc1cccc(c1F)C 62a_200000210301_100011216058 [1,1,0,0,0,0|1,1,0]=4 8056 B11R1.13 CSCc1cccc(c1F)Cl 62a_100000716733_200000210301 [1,1,0,0,0,0|1,1,0]=4 8057 B11R1.13 CSCc1cccc(c1F)Cl 62a_200000210301_100000716733 [1,1,0,0,0,0|1,1,0]=4 8058 B11R1.13 CSCc1cccc(c1F)F 62a_100000217499_200000210301 [1,1,0,0,0,0|1,1,0]=4 8059 B11R1.13 CSCc1cccc(c1F)F 62a_200000210301_100000217499 [1,1,0,0,0,0|1,1,0]=4 8060 B11R1.13 CSCc1cccc(c1I)F 62a_100010149603_200000210301 [1,1,0,0,0,0|1,1,0]=4 8061 B11R1.13 CSCc1cccc(c1I)F 62a_200000210301_100010149603 [1,1,0,0,0,0|1,1,0]=4 8062 B11R1.13 Cc1c(cccc1CCN)O 271570a_203496583355_100161000114 [1,1,0,0,0,0|1,0,0]=3 8063 B11R1.13 Cc1c(cccc1CN[13CH3])Br 34a_100000724210_200025704644 [1,1,0,0,0,0|1,0,0]=3 8064 B11R1.13 Cc1c(cccc1CN[13CH3])Cl 2230a_100020639605_200025704644 [1,1,0,0,0,0|1,0,0]=3 8065 B11R1.13 Cc1c(cccc1CN[13CH3])Cl 34a_100020639605_200025704644 [1,1,0,0,0,0|1,0,0]=3 8066 B11R1.13 Cc1c(cccc1CN[13CH3])F 2230a_100132306986_200025704644 [1,1,0,0,0,0|1,0,0]=3 8067 B11R1.13 Cc1c(cccc1CN[13CH3])F 34a_100132306986_200025704644 [1,1,0,0,0,0|1,0,0]=3 8068 B11R1.13 Cc1c(cccc1CO[13CH3])Br 34a_100000694458_200025704644 [1,1,0,0,0,0|2,0,0]=4 8069 B11R1.13 Cc1c(cccc1CO[13CH3])Br 7a_100000694458_200025704644 [1,1,0,0,0,0|2,0,0]=4 8070 B11R1.13 Cc1c(cccc1CO[13CH3])Cl 34a_100012000165_200025704644 [1,1,0,0,0,0|2,0,0]=4 8071 B11R1.13 Cc1c(cccc1CO[13CH3])Cl 7a_100012000165_200025704644 [1,1,0,0,0,0|2,0,0]=4 8072 B11R1.13 Cc1c(cccc1CO[13CH3])F 34a_100000042775_200025704644 [1,1,0,0,0,0|2,0,0]=4 8073 B11R1.13 Cc1c(cccc1CO[13CH3])F 7a_100000042775_200025704644 [1,1,0,0,0,0|2,0,0]=4 8074 B11R1.13 Cc1c(cccc1CO[13CH3])I 34a_100010150139_200025704644 [1,1,0,0,0,0|2,0,0]=4 8075 B11R1.13 Cc1c(cccc1CO[13CH3])I 7a_100010150139_200025704644 [1,1,0,0,0,0|2,0,0]=4 8076 B11R1.13 Cc1c(cccc1CO[13CH3])N 34a_102495339961_200025704644 [1,1,0,0,0,0|2,0,0]=4 8077 B11R1.13 Cc1c(cccc1CO[13CH3])N 7a_102495339961_200025704644 [1,1,0,0,0,0|2,0,0]=4 8078 B11R1.13 Cc1c(cccc1CS[13CH3])Br 62a_100000694682_200025704644 [1,1,0,0,0,0|2,0,0]=4 8079 B11R1.13 Cc1c(cccc1CS[13CH3])Br 62a_200025704644_100000694682 [1,1,0,0,0,0|2,0,0]=4 8080 B11R1.13 Cc1c(cccc1CS[13CH3])Cl 62a_100012186920_200025704644 [1,1,0,0,0,0|2,0,0]=4 8081 B11R1.13 Cc1c(cccc1CS[13CH3])Cl 62a_200025704644_100012186920 [1,1,0,0,0,0|2,0,0]=4 8082 B11R1.13 Cc1c(cccc1CS[13CH3])F 62a_100009813626_200025704644 [1,1,0,0,0,0|2,0,0]=4 8083 B11R1.13 Cc1c(cccc1CS[13CH3])F 62a_200025704644_100009813626 [1,1,0,0,0,0|2,0,0]=4 8084 B11R1.13 Cc1c(cccc1CS[13CH3])I 62a_100010150147_200025704644 [1,1,0,0,0,0|2,0,0]=4 8085 B11R1.13 Cc1c(cccc1CS[13CH3])I 62a_200025704644_100010150147 [1,1,0,0,0,0|2,0,0]=4 8086 B11R1.13 Cc1cccc(c1Br)CO[13CH3] 34a_100011659289_200025704644 [1,1,0,0,0,0|1,1,0]=4 8087 B11R1.13 Cc1cccc(c1Br)CO[13CH3] 7a_100011659289_200025704644 [1,1,0,0,0,0|1,1,0]=4 8088 B11R1.13 Cc1cccc(c1Br)CS[13CH3] 62a_200012349612_200025704644 [1,1,0,0,0,0|1,1,0]=4 8089 B11R1.13 Cc1cccc(c1Br)CS[13CH3] 62a_200025704644_200012349612 [1,1,0,0,0,0|1,1,0]=4 8090 B11R1.13 Cc1cccc(c1C)CN[13CH3] 2230a_100011211637_200025704644 [1,1,0,0,0,0|1,0,0]=3 8091 B11R1.13 Cc1cccc(c1C)CN[13CH3] 34a_100011211637_200025704644 [1,1,0,0,0,0|1,0,0]=3 8092 B11R1.13 Cc1cccc(c1C)CO[13CH3] 34a_100011219135_200025704644 [1,1,0,0,0,0|2,0,0]=4 8093 B11R1.13 Cc1cccc(c1C)CO[13CH3] 7a_100011219135_200025704644 [1,1,0,0,0,0|2,0,0]=4 8094 B11R1.13 Cc1cccc(c1C)CS[13CH3] 62a_100011515928_200025704644 [1,1,0,0,0,0|2,0,0]=4 8095 B11R1.13 Cc1cccc(c1C)CS[13CH3] 62a_200025704644_100011515928 [1,1,0,0,0,0|2,0,0]=4 8096 B11R1.13 Cc1cccc(c1Cl)CN[13CH3] 2230a_100025705714_200025704644 [1,1,0,0,0,0|0,0,0]=2 8097 B11R1.13 Cc1cccc(c1Cl)CN[13CH3] 34a_100025705714_200025704644 [1,1,0,0,0,0|0,0,0]=2 8098 B11R1.13 Cc1cccc(c1Cl)CO[13CH3] 34a_100000710031_200025704644 [1,1,0,0,0,0|1,0,0]=3 8099 B11R1.13 Cc1cccc(c1Cl)CO[13CH3] 7a_100000710031_200025704644 [1,1,0,0,0,0|1,0,0]=3 8100 B11R1.13 Cc1cccc(c1Cl)NCF 34a_100000765562_100015361967 [1,1,0,0,0,0|2,0,0]=4 8101 B11R1.13 Cc1cccc(c1Cl)NCF 7a_100000765562_100015361967 [1,1,0,0,0,0|2,0,0]=4 8102 B11R1.13 Cc1cccc(c1Cl)OCF 34a_100000695629_100015361967 [1,1,0,0,0,0|2,0,0]=4 8103 B11R1.13 Cc1cccc(c1Cl)OCF 7a_100000695629_100015361967 [1,1,0,0,0,0|2,0,0]=4 8104 B11R1.13 Cc1cccc(c1Cl)SCF 62a_100015361967_200012352035 [1,1,0,0,0,0|2,0,0]=4 8105 B11R1.13 Cc1cccc(c1Cl)SCF 62a_200012352035_100015361967 [1,1,0,0,0,0|2,0,0]=4 8106 B11R1.13 Cc1cccc(c1F)CN[13CH3] 2230a_100012002060_200025704644 [1,1,0,0,0,0|0,1,0]=3 8107 B11R1.13 Cc1cccc(c1F)CN[13CH3] 34a_100012002060_200025704644 [1,1,0,0,0,0|0,1,0]=3 8108 B11R1.13 Cc1cccc(c1F)CO[13CH3] 34a_200011219517_200025704644 [1,1,0,0,0,0|1,1,0]=4 8109 B11R1.13 Cc1cccc(c1F)CO[13CH3] 7a_200011219517_200025704644 [1,1,0,0,0,0|1,1,0]=4 8110 B11R1.13 Cc1cccc(c1F)CS[13CH3] 62a_100011216058_200025704644 [1,1,0,0,0,0|1,1,0]=4 8111 B11R1.13 Cc1cccc(c1F)CS[13CH3] 62a_200025704644_100011216058 [1,1,0,0,0,0|1,1,0]=4 8112 B11R1.13 Cc1cccc(c1I)CO[13CH3] 34a_100012349780_200025704644 [1,1,0,0,0,0|1,1,0]=4 8113 B11R1.13 Cc1cccc(c1I)CO[13CH3] 7a_100012349780_200025704644 [1,1,0,0,0,0|1,1,0]=4 8114 B11R1.13 Cc1cccc(c1N)CO[13CH3] 34a_100011215590_200025704644 [1,1,0,0,0,0|2,0,0]=4 8115 B11R1.13 Cc1cccc(c1O)CN[13CH3] 34a_100020639391_200025704644 [1,1,0,0,0,0|1,0,0]=3 8116 B11R1.13 FCNc1cccc(c1Cl)Br 34a_100000687075_100015361967 [1,1,0,0,0,0|2,0,0]=4 8117 B11R1.13 FCNc1cccc(c1Cl)Cl 34a_100000185733_100015361967 [1,1,0,0,0,0|2,0,0]=4 8118 B11R1.13 FCNc1cccc(c1Cl)F 34a_100000692321_100015361967 [1,1,0,0,0,0|2,0,0]=4 8119 B11R1.13 FCOc1cccc(c1Cl)Br 34a_100010187913_100015361967 [1,1,0,0,0,0|2,0,0]=4 8120 B11R1.13 FCOc1cccc(c1Cl)Br 7a_100010187913_100015361967 [1,1,0,0,0,0|2,0,0]=4 8121 B11R1.13 FCOc1cccc(c1Cl)Cl 34a_100000211076_100015361967 [1,1,0,0,0,0|2,0,0]=4 8122 B11R1.13 FCOc1cccc(c1Cl)Cl 7a_100000211076_100015361967 [1,1,0,0,0,0|2,0,0]=4 8123 B11R1.13 FCOc1cccc(c1Cl)F 34a_100000087408_100015361967 [1,1,0,0,0,0|2,0,0]=4 8124 B11R1.13 FCOc1cccc(c1Cl)F 7a_100000087408_100015361967 [1,1,0,0,0,0|2,0,0]=4 8125 B11R1.13 FCOc1cccc(c1Cl)I 34a_100000049636_100015361967 [1,1,0,0,0,0|2,0,0]=4 8126 B11R1.13 FCOc1cccc(c1Cl)I 7a_100000049636_100015361967 [1,1,0,0,0,0|2,0,0]=4 8127 B11R1.13 FCSc1cccc(c1Cl)Br 62a_100010142854_100015361967 [1,1,0,0,0,0|2,0,0]=4 8128 B11R1.13 FCSc1cccc(c1Cl)Br 62a_100015361967_100010142854 [1,1,0,0,0,0|2,0,0]=4 8129 B11R1.13 FCSc1cccc(c1Cl)Cl 62a_100011215384_100015361967 [1,1,0,0,0,0|2,0,0]=4 8130 B11R1.13 FCSc1cccc(c1Cl)Cl 62a_100015361967_100011215384 [1,1,0,0,0,0|2,0,0]=4 8131 B11R1.13 FCSc1cccc(c1Cl)F 62a_100015361967_200010234923 [1,1,0,0,0,0|2,0,0]=4 8132 B11R1.13 FCSc1cccc(c1Cl)F 62a_200010234923_100015361967 [1,1,0,0,0,0|2,0,0]=4 8133 B11R1.13 Nc1cccc(c1Cl)OCF 34a_100012002038_100015361967 [1,1,0,0,0,0|2,0,0]=4 8134 B11R1.13 Nc1cccc(c1Cl)OCF 7a_100012002038_100015361967 [1,1,0,0,0,0|2,0,0]=4 8135 B11R1.13 Oc1cccc(c1Cl)NCF 34a_100012002038_100015361967 [1,1,0,0,0,0|2,0,0]=4 8136 B11R1.13 Oc1cccc(c1Cl)NCF 7a_100012002038_100015361967 [1,1,0,0,0,0|2,0,0]=4 8137 B11R1.13 Oc1cccc(c1Cl)SCF 62a_100015361967_100000049636 [1,1,0,0,0,0|2,0,0]=4 8138 B11R1.13 [13CH3]NCc1cccc(c1Br)F 2230a_100020638964_200025704644 [1,1,0,0,0,0|0,1,0]=3 8139 B11R1.13 [13CH3]NCc1cccc(c1Br)F 34a_100020638964_200025704644 [1,1,0,0,0,0|0,1,0]=3 8140 B11R1.13 [13CH3]NCc1cccc(c1Cl)Cl 2230a_100011211633_200025704644 [1,1,0,0,0,0|0,0,0]=2 8141 B11R1.13 [13CH3]NCc1cccc(c1Cl)Cl 34a_100011211633_200025704644 [1,1,0,0,0,0|0,0,0]=2 8142 B11R1.13 [13CH3]NCc1cccc(c1Cl)F 2230a_100012001614_200025704644 [1,1,0,0,0,0|0,0,0]=2 8143 B11R1.13 [13CH3]NCc1cccc(c1Cl)F 34a_100012001614_200025704644 [1,1,0,0,0,0|0,0,0]=2 8144 B11R1.13 [13CH3]NCc1cccc(c1F)Br 2230a_100015189953_200025704644 [1,1,0,0,0,0|0,1,0]=3 8145 B11R1.13 [13CH3]NCc1cccc(c1F)Br 34a_100015189953_200025704644 [1,1,0,0,0,0|0,1,0]=3 8146 B11R1.13 [13CH3]NCc1cccc(c1F)Cl 2230a_100000764326_200025704644 [1,1,0,0,0,0|0,1,0]=3 8147 B11R1.13 [13CH3]NCc1cccc(c1F)Cl 34a_100000764326_200025704644 [1,1,0,0,0,0|0,1,0]=3 8148 B11R1.13 [13CH3]NCc1cccc(c1F)F 2230a_100011199105_200025704644 [1,1,0,0,0,0|0,1,0]=3 8149 B11R1.13 [13CH3]NCc1cccc(c1F)F 34a_100011199105_200025704644 [1,1,0,0,0,0|0,1,0]=3 8150 B11R1.13 [13CH3]NCc1cccc(c1F)O 34a_100025773512_200025704644 [1,1,0,0,0,0|0,1,0]=3 8151 B11R1.13 [13CH3]OCc1cccc(c1Br)Cl 34a_100010168166_200025704644 [1,1,0,0,0,0|1,1,0]=4 8152 B11R1.13 [13CH3]OCc1cccc(c1Br)Cl 7a_100010168166_200025704644 [1,1,0,0,0,0|1,1,0]=4 8153 B11R1.13 [13CH3]OCc1cccc(c1Br)F 34a_100012351117_200025704644 [1,1,0,0,0,0|1,1,0]=4 8154 B11R1.13 [13CH3]OCc1cccc(c1Br)F 7a_100012351117_200025704644 [1,1,0,0,0,0|1,1,0]=4 8155 B11R1.13 [13CH3]OCc1cccc(c1Br)I 34a_100010240205_200025704644 [1,1,0,0,0,0|1,1,0]=4 8156 B11R1.13 [13CH3]OCc1cccc(c1Br)I 7a_100010240205_200025704644 [1,1,0,0,0,0|1,1,0]=4 8157 B11R1.13 [13CH3]OCc1cccc(c1Cl)Br 34a_100012351182_200025704644 [1,1,0,0,0,0|1,0,0]=3 8158 B11R1.13 [13CH3]OCc1cccc(c1Cl)Br 7a_100012351182_200025704644 [1,1,0,0,0,0|1,0,0]=3 8159 B11R1.13 [13CH3]OCc1cccc(c1Cl)Cl 34a_100000720469_200025704644 [1,1,0,0,0,0|1,0,0]=3 8160 B11R1.13 [13CH3]OCc1cccc(c1Cl)Cl 7a_100000720469_200025704644 [1,1,0,0,0,0|1,0,0]=3 8161 B11R1.13 [13CH3]OCc1cccc(c1Cl)F 34a_100000696319_200025704644 [1,1,0,0,0,0|1,0,0]=3 8162 B11R1.13 [13CH3]OCc1cccc(c1Cl)F 7a_100000696319_200025704644 [1,1,0,0,0,0|1,0,0]=3 8163 B11R1.13 [13CH3]OCc1cccc(c1F)Br 34a_100011935076_200025704644 [1,1,0,0,0,0|1,1,0]=4 8164 B11R1.13 [13CH3]OCc1cccc(c1F)Br 7a_100011935076_200025704644 [1,1,0,0,0,0|1,1,0]=4 8165 B11R1.13 [13CH3]OCc1cccc(c1F)Cl 34a_100011216988_200025704644 [1,1,0,0,0,0|1,1,0]=4 8166 B11R1.13 [13CH3]OCc1cccc(c1F)Cl 7a_100011216988_200025704644 [1,1,0,0,0,0|1,1,0]=4 8167 B11R1.13 [13CH3]OCc1cccc(c1F)F 34a_100011218644_200025704644 [1,1,0,0,0,0|1,1,0]=4 8168 B11R1.13 [13CH3]OCc1cccc(c1F)F 7a_100011218644_200025704644 [1,1,0,0,0,0|1,1,0]=4 8169 B11R1.13 [13CH3]OCc1cccc(c1F)I 34a_200010235739_200025704644 [1,1,0,0,0,0|1,1,0]=4 8170 B11R1.13 [13CH3]OCc1cccc(c1F)I 7a_200010235739_200025704644 [1,1,0,0,0,0|1,1,0]=4 8171 B11R1.13 [13CH3]OCc1cccc(c1F)N 34a_100012023829_200025704644 [1,1,0,0,0,0|1,1,0]=4 8172 B11R1.13 [13CH3]OCc1cccc(c1I)Br 34a_100010146604_200025704644 [1,1,0,0,0,0|1,1,0]=4 8173 B11R1.13 [13CH3]OCc1cccc(c1I)Br 7a_100010146604_200025704644 [1,1,0,0,0,0|1,1,0]=4 8174 B11R1.13 [13CH3]OCc1cccc(c1I)F 34a_100000692438_200025704644 [1,1,0,0,0,0|1,1,0]=4 8175 B11R1.13 [13CH3]OCc1cccc(c1I)F 7a_100000692438_200025704644 [1,1,0,0,0,0|1,1,0]=4 8176 B11R1.13 [13CH3]OCc1cccc(c1N)Br 34a_100012349457_200025704644 [1,1,0,0,0,0|2,0,0]=4 8177 B11R1.13 [13CH3]OCc1cccc(c1N)Cl 34a_100012182729_200025704644 [1,1,0,0,0,0|2,0,0]=4 8178 B11R1.13 [13CH3]OCc1cccc(c1N)F 34a_100000692437_200025704644 [1,1,0,0,0,0|2,0,0]=4 8179 B11R1.13 [13CH3]SCc1cccc(c1Br)Cl 62a_100010145525_200025704644 [1,1,0,0,0,0|1,1,0]=4 8180 B11R1.13 [13CH3]SCc1cccc(c1Br)Cl 62a_200025704644_100010145525 [1,1,0,0,0,0|1,1,0]=4 8181 B11R1.13 [13CH3]SCc1cccc(c1Br)F 62a_100012351116_200025704644 [1,1,0,0,0,0|1,1,0]=4 8182 B11R1.13 [13CH3]SCc1cccc(c1Br)F 62a_200025704644_100012351116 [1,1,0,0,0,0|1,1,0]=4 8183 B11R1.13 [13CH3]SCc1cccc(c1Br)I 62a_100010254545_200025704644 [1,1,0,0,0,0|1,1,0]=4 8184 B11R1.13 [13CH3]SCc1cccc(c1Br)I 62a_200025704644_100010254545 [1,1,0,0,0,0|1,1,0]=4 8185 B11R1.13 [13CH3]SCc1cccc(c1Cl)Br 62a_100012349491_200025704644 [1,1,0,0,0,0|1,0,0]=3 8186 B11R1.13 [13CH3]SCc1cccc(c1Cl)Br 62a_200025704644_100012349491 [1,1,0,0,0,0|1,0,0]=3 8187 B11R1.13 [13CH3]SCc1cccc(c1Cl)Cl 62a_100000720918_200025704644 [1,1,0,0,0,0|1,0,0]=3 8188 B11R1.13 [13CH3]SCc1cccc(c1Cl)Cl 62a_200025704644_100000723366 [1,1,0,0,0,0|1,0,0]=3 8189 B11R1.13 [13CH3]SCc1cccc(c1Cl)F 62a_100000696688_200025704644 [1,1,0,0,0,0|1,0,0]=3 8190 B11R1.13 [13CH3]SCc1cccc(c1Cl)F 62a_200025704644_100000696688 [1,1,0,0,0,0|1,0,0]=3 8191 B11R1.13 [13CH3]SCc1cccc(c1F)Br 62a_100012356506_200025704644 [1,1,0,0,0,0|1,1,0]=4 8192 B11R1.13 [13CH3]SCc1cccc(c1F)Br 62a_200025704644_100012356506 [1,1,0,0,0,0|1,1,0]=4 8193 B11R1.13 [13CH3]SCc1cccc(c1F)Cl 62a_100000716733_200025704644 [1,1,0,0,0,0|1,1,0]=4 8194 B11R1.13 [13CH3]SCc1cccc(c1F)Cl 62a_200025704644_100000716733 [1,1,0,0,0,0|1,1,0]=4 8195 B11R1.13 [13CH3]SCc1cccc(c1F)F 62a_100000217499_200025704644 [1,1,0,0,0,0|1,1,0]=4 8196 B11R1.13 [13CH3]SCc1cccc(c1F)F 62a_200025704644_100000217499 [1,1,0,0,0,0|1,1,0]=4 8197 B11R1.13 [13CH3]SCc1cccc(c1I)F 62a_100010149603_200025704644 [1,1,0,0,0,0|1,1,0]=4 8198 B11R1.13 [13CH3]SCc1cccc(c1I)F 62a_200025704644_100010149603 [1,1,0,0,0,0|1,1,0]=4 8199 B11R1.41 C#Cc1ccccc1CNC 34a_100020634229_200000210301 [1,1,0,0,0,0|1,0,0]=3 8200 B11R1.41 C#Cc1ccccc1CN[13CH3] 34a_100020634229_200025704644 [1,1,0,0,0,0|1,0,0]=3 8201 B11R1.41 C#Cc1ccccc1COC 34a_100000054652_200000210301 [1,1,0,0,0,0|2,0,0]=4 8202 B11R1.41 C#Cc1ccccc1COC 7a_100000054652_200000210301 [1,1,0,0,0,0|2,0,0]=4 8203 B11R1.41 C#Cc1ccccc1CO[13CH3] 34a_100000054652_200025704644 [1,1,0,0,0,0|2,0,0]=4 8204 B11R1.41 C#Cc1ccccc1CO[13CH3] 7a_100000054652_200025704644 [1,1,0,0,0,0|2,0,0]=4 8205 B11R1.41 C#Cc1ccccc1NCC 34a_100011470550_100000210202 [1,1,0,0,0,0|2,0,0]=4 8206 B11R1.41 C#Cc1ccccc1OCC 34a_200011470546_100000210202 [1,1,0,0,0,0|2,0,0]=4 8207 B11R1.41 C#Cc1ccccc1OCC 7a_200011470546_100000210202 [1,1,0,0,0,0|2,0,0]=4 8208 B11R1.41 C=Cc1ccccc1CCN 271570a_100011290941_100000747383 [1,1,0,0,0,0|1,0,0]=3 8209 B11R1.41 C=Cc1ccccc1CCO 271570a_100011290941_100000731337 [1,1,0,0,0,0|2,0,0]=4 8210 B11R1.41 C=Cc1ccccc1CNC 271570a_100011290941_100000184654 [1,1,0,0,0,0|1,0,0]=3 8211 B11R1.41 C=Cc1ccccc1CNN 271570a_100011290941_200016993956 [1,1,0,0,0,0|2,0,0]=4 8212 B11R1.41 C=Cc1ccccc1COC 271570a_100011290941_100011493684 [1,1,0,0,0,0|2,0,0]=4 8213 B11R1.41 C=Cc1ccccc1COC 34a_200010883148_200000210301 [1,1,0,0,0,0|2,0,0]=4 8214 B11R1.41 C=Cc1ccccc1COC 7a_200010883148_200000210301 [1,1,0,0,0,0|2,0,0]=4 8215 B11R1.41 C=Cc1ccccc1CO[13CH3] 34a_200010883148_200025704644 [1,1,0,0,0,0|2,0,0]=4 8216 B11R1.41 C=Cc1ccccc1CO[13CH3] 7a_200010883148_200025704644 [1,1,0,0,0,0|2,0,0]=4 8217 B11R1.41 C=Cc1ccccc1CSC 271570a_100011290941_100000148299 [1,1,0,0,0,0|2,0,0]=4 8218 B11R1.41 C=Cc1ccccc1NCC 271570a_100011290941_114873767003 [1,1,0,0,0,0|2,0,0]=4 8219 B11R1.41 C=Cc1ccccc1NCC 34a_100012022501_100000210202 [1,1,0,0,0,0|2,0,0]=4 8220 B11R1.41 C=Cc1ccccc1OCC 271570a_100011290941_100000230754 [1,1,0,0,0,0|2,0,0]=4 8221 B11R1.41 C=Cc1ccccc1SCC 271570a_100011290941_100000230856 [1,1,0,0,0,0|2,0,0]=4 8222 B11R1.41 C=Cc1ccccc1SCC 62a_100000210202_100011218376 [1,1,0,0,0,0|2,0,0]=4 8223 B11R1.41 C=Cc1ccccc1SCC 62a_100011218376_100000210202 [1,1,0,0,0,0|2,0,0]=4 8224 B11R1.41 C=Cc1ncccc1CNC 271570a_100011290941_103496529121 [1,1,0,0,0,0|2,0,0]=4 8225 B11R1.41 CCCc1ccccc1NC 2230a_100000737634_200000210301 [1,1,0,0,0,0|1,0,0]=3 8226 B11R1.41 CCCc1ccccc1NC 34a_100000737634_200000210301 [1,1,0,0,0,0|1,0,0]=3 8227 B11R1.41 CCCc1ccccc1NC 7a_100000737634_200000210301 [1,1,0,0,0,0|1,0,0]=3 8228 B11R1.41 CCCc1ccccc1N[13CH3] 2230a_100000737634_200025704644 [1,1,0,0,0,0|1,0,0]=3 8229 B11R1.41 CCCc1ccccc1N[13CH3] 34a_100000737634_200025704644 [1,1,0,0,0,0|1,0,0]=3 8230 B11R1.41 CCCc1ccccc1N[13CH3] 7a_100000737634_200025704644 [1,1,0,0,0,0|1,0,0]=3 8231 B11R1.41 CCCc1ccccc1OC 34a_100011217252_200000210301 [1,1,0,0,0,0|1,0,0]=3 8232 B11R1.41 CCCc1ccccc1OC 7a_100011217252_200000210301 [1,1,0,0,0,0|1,0,0]=3 8233 B11R1.41 CCCc1ccccc1O[13CH3] 34a_100011217252_200025704644 [1,1,0,0,0,0|1,0,0]=3 8234 B11R1.41 CCCc1ccccc1O[13CH3] 7a_100011217252_200025704644 [1,1,0,0,0,0|1,0,0]=3 8235 B11R1.41 CCNc1ccccc1C#N 34a_100000211148_100000210202 [1,1,0,0,0,0|2,0,0]=4 8236 B11R1.41 CCNc1ccccc1CC 2230a_100000212081_100000210202 [1,1,0,0,0,0|2,0,0]=4 8237 B11R1.41 CCNc1ccccc1CC 34a_100000212081_100000210202 [1,1,0,0,0,0|2,0,0]=4 8238 B11R1.41 CCNc1ccccc1CC 7a_100000212081_100000210202 [1,1,0,0,0,0|2,0,0]=4 8239 B11R1.41 CCNc1ccccc1CO 34a_100000212039_100000210202 [1,1,0,0,0,0|2,0,0]=4 8240 B11R1.41 CCNc1ccccc1OC 34a_100000210025_100000210202 [1,1,0,0,0,0|2,0,0]=4 8241 B11R1.41 CCNc1ccccc1OC 34a_103624766699_200000210301 [1,1,0,0,0,0|2,0,0]=4 8242 B11R1.41 CCNc1ccccc1OC 7a_103624766699_200000210301 [1,1,0,0,0,0|2,0,0]=4 8243 B11R1.41 CCNc1ccccc1O[13CH3] 34a_103624766699_200025704644 [1,1,0,0,0,0|2,0,0]=4 8244 B11R1.41 CCNc1ccccc1O[13CH3] 7a_103624766699_200025704644 [1,1,0,0,0,0|2,0,0]=4 8245 B11R1.41 CCNc1ccccc1SC 34a_100000211160_100000210202 [1,1,0,0,0,0|2,0,0]=4 8246 B11R1.41 CCNc1ccccc1SC 62a_114873767003_200000210301 [1,1,0,0,0,0|2,0,0]=4 8247 B11R1.41 CCNc1ccccc1SC 62a_200000210301_114873767003 [1,1,0,0,0,0|2,0,0]=4 8248 B11R1.41 CCNc1ccccc1S[13CH3] 62a_114873767003_200025704644 [1,1,0,0,0,0|2,0,0]=4 8249 B11R1.41 CCNc1ccccc1S[13CH3] 62a_200025704644_114873767003 [1,1,0,0,0,0|2,0,0]=4 8250 B11R1.41 CCOc1ccccc1C#N 34a_100000211048_100000210202 [1,1,0,0,0,0|2,0,0]=4 8251 B11R1.41 CCOc1ccccc1C#N 7a_100000211048_100000210202 [1,1,0,0,0,0|2,0,0]=4 8252 B11R1.41 CCOc1ccccc1CC 34a_100000210936_100000210202 [1,1,0,0,0,0|2,0,0]=4 8253 B11R1.41 CCOc1ccccc1CC 7a_100000210936_100000210202 [1,1,0,0,0,0|2,0,0]=4 8254 B11R1.41 CCOc1ccccc1CN 34a_100000185550_100000210202 [1,1,0,0,0,0|2,0,0]=4 8255 B11R1.41 CCOc1ccccc1CO 34a_100011216872_100000210202 [1,1,0,0,0,0|2,0,0]=4 8256 B11R1.41 CCOc1ccccc1NC 34a_100000033821_100000210202 [1,1,0,0,0,0|2,0,0]=4 8257 B11R1.41 CCOc1ccccc1NC 34a_100000211218_200000210301 [1,1,0,0,0,0|2,0,0]=4 8258 B11R1.41 CCOc1ccccc1N[13CH3] 34a_100000211218_200025704644 [1,1,0,0,0,0|2,0,0]=4 8259 B11R1.41 CCOc1ccccc1OC 34a_100000210385_100000210202 [1,1,0,0,0,0|2,0,0]=4 8260 B11R1.41 CCOc1ccccc1OC 34a_100000211404_200000210301 [1,1,0,0,0,0|2,0,0]=4 8261 B11R1.41 CCOc1ccccc1OC 7a_100000211404_200000210301 [1,1,0,0,0,0|2,0,0]=4 8262 B11R1.41 CCOc1ccccc1O[13CH3] 34a_100000211404_200025704644 [1,1,0,0,0,0|2,0,0]=4 8263 B11R1.41 CCOc1ccccc1O[13CH3] 7a_100000211404_200025704644 [1,1,0,0,0,0|2,0,0]=4 8264 B11R1.41 CCOc1ccccc1SC 34a_100011216402_100000210202 [1,1,0,0,0,0|2,0,0]=4 8265 B11R1.41 CCOc1ccccc1SC 62a_100000230754_200000210301 [1,1,0,0,0,0|2,0,0]=4 8266 B11R1.41 CCOc1ccccc1SC 62a_200000210301_100000230754 [1,1,0,0,0,0|2,0,0]=4 8267 B11R1.41 CCOc1ccccc1S[13CH3] 62a_100000230754_200025704644 [1,1,0,0,0,0|2,0,0]=4 8268 B11R1.41 CCOc1ccccc1S[13CH3] 62a_200025704644_100000230754 [1,1,0,0,0,0|2,0,0]=4 8269 B11R1.41 CCSc1ccccc1C#N 62a_100000210202_100000188569 [1,1,0,0,0,0|2,0,0]=4 8270 B11R1.41 CCSc1ccccc1C=O 62a_100000210073_100000210202 [1,1,0,0,0,0|2,0,0]=4 8271 B11R1.41 CCSc1ccccc1C=O 62a_100000210202_100000210073 [1,1,0,0,0,0|2,0,0]=4 8272 B11R1.41 CCSc1ccccc1CC 62a_100000210202_100011215823 [1,1,0,0,0,0|2,0,0]=4 8273 B11R1.41 CCSc1ccccc1CC 62a_100011215823_100000210202 [1,1,0,0,0,0|2,0,0]=4 8274 B11R1.41 CCSc1ccccc1CN 62a_100000210202_100000689332 [1,1,0,0,0,0|2,0,0]=4 8275 B11R1.41 CCSc1ccccc1CN 62a_100000689332_100000210202 [1,1,0,0,0,0|2,0,0]=4 8276 B11R1.41 CCSc1ccccc1CO 62a_100000187465_100000210202 [1,1,0,0,0,0|2,0,0]=4 8277 B11R1.41 CCSc1ccccc1CO 62a_100000210202_100000187465 [1,1,0,0,0,0|2,0,0]=4 8278 B11R1.41 CCSc1ccccc1NC 34a_100011223125_200000210301 [1,1,0,0,0,0|2,0,0]=4 8279 B11R1.41 CCSc1ccccc1NC 62a_100000210202_100020606079 [1,1,0,0,0,0|2,0,0]=4 8280 B11R1.41 CCSc1ccccc1NC 62a_100020606079_100000210202 [1,1,0,0,0,0|2,0,0]=4 8281 B11R1.41 CCSc1ccccc1NN 62a_100000210202_100000241748 [1,1,0,0,0,0|2,0,0]=4 8282 B11R1.41 CCSc1ccccc1NN 62a_100000241748_100000210202 [1,1,0,0,0,0|2,0,0]=4 8283 B11R1.41 CCSc1ccccc1N[13CH3] 34a_100011223125_200025704644 [1,1,0,0,0,0|2,0,0]=4 8284 B11R1.41 CCSc1ccccc1OC 62a_100000210202_100000210334 [1,1,0,0,0,0|2,0,0]=4 8285 B11R1.41 CCSc1ccccc1OC 62a_100000210334_100000210202 [1,1,0,0,0,0|2,0,0]=4 8286 B11R1.41 CCSc1ccccc1SC 62a_100000210202_100011217816 [1,1,0,0,0,0|2,0,0]=4 8287 B11R1.41 CCSc1ccccc1SC 62a_100000230856_200000210301 [1,1,0,0,0,0|2,0,0]=4 8288 B11R1.41 CCSc1ccccc1SC 62a_100011217816_100000210202 [1,1,0,0,0,0|2,0,0]=4 8289 B11R1.41 CCSc1ccccc1SC 62a_200000210301_100000230856 [1,1,0,0,0,0|2,0,0]=4 8290 B11R1.41 CCSc1ccccc1S[13CH3] 62a_100000230856_200025704644 [1,1,0,0,0,0|2,0,0]=4 8291 B11R1.41 CCSc1ccccc1S[13CH3] 62a_200025704644_100000230856 [1,1,0,0,0,0|2,0,0]=4 8292 B11R1.41 CCc1ccccc1CNC 207a_100102657272_100011219594 [1,1,0,0,0,0|1,0,0]=3 8293 B11R1.41 CCc1ccccc1CNC 270004a_106832991635_100011219594 [1,1,0,0,0,0|1,0,0]=3 8294 B11R1.41 CCc1ccccc1COC 34a_100011663872_200000210301 [1,1,0,0,0,0|2,0,0]=4 8295 B11R1.41 CCc1ccccc1COC 7a_100011663872_200000210301 [1,1,0,0,0,0|2,0,0]=4 8296 B11R1.41 CCc1ccccc1CO[13CH3] 34a_100011663872_200025704644 [1,1,0,0,0,0|2,0,0]=4 8297 B11R1.41 CCc1ccccc1CO[13CH3] 7a_100011663872_200025704644 [1,1,0,0,0,0|2,0,0]=4 8298 B11R1.41 CNCc1ccccc1C#N 2230a_106832991635_100000181865 [1,1,0,0,0,0|1,0,0]=3 8299 B11R1.41 CNCc1ccccc1C#N 34a_100016989011_200000210301 [1,1,0,0,0,0|1,0,0]=3 8300 B11R1.41 CNCc1ccccc1C#N 34a_100102657272_100000181865 [1,1,0,0,0,0|1,0,0]=3 8301 B11R1.41 CNCc1ccccc1C#N 7a_106832991635_100000181865 [1,1,0,0,0,0|1,0,0]=3 8302 B11R1.41 CNCc1ccccc1C=O 2230a_106832991635_200009853537 [1,1,0,0,0,0|1,0,0]=3 8303 B11R1.41 CNCc1ccccc1C=O 34a_100102657272_200009853537 [1,1,0,0,0,0|1,0,0]=3 8304 B11R1.41 CNCc1ccccc1C=O 7a_106832991635_200009853537 [1,1,0,0,0,0|1,0,0]=3 8305 B11R1.41 CNCc1ccccc1CO 2230a_106832991635_100009816955 [1,1,0,0,0,0|1,0,0]=3 8306 B11R1.41 CNCc1ccccc1CO 34a_100102657272_100009816955 [1,1,0,0,0,0|1,0,0]=3 8307 B11R1.41 CNCc1ccccc1CO 7a_106832991635_100009816955 [1,1,0,0,0,0|1,0,0]=3 8308 B11R1.41 CNCc1ccccc1OC 207a_100102657272_100000169842 [1,1,0,0,0,0|1,0,0]=3 8309 B11R1.41 CNCc1ccccc1OC 2230a_106832991635_100000210004 [1,1,0,0,0,0|1,0,0]=3 8310 B11R1.41 CNCc1ccccc1OC 270004a_106832991635_100000169842 [1,1,0,0,0,0|1,0,0]=3 8311 B11R1.41 CNCc1ccccc1OC 34a_100000188900_200000210301 [1,1,0,0,0,0|1,0,0]=3 8312 B11R1.41 CNCc1ccccc1OC 34a_100015189988_200000210301 [1,1,0,0,0,0|1,0,0]=3 8313 B11R1.41 CNCc1ccccc1OC 34a_100102657272_100000210004 [1,1,0,0,0,0|1,0,0]=3 8314 B11R1.41 CNCc1ccccc1OC 7a_106832991635_100000210004 [1,1,0,0,0,0|1,0,0]=3 8315 B11R1.41 CNCc1ccccc1O[13CH3] 34a_100015189988_200025704644 [1,1,0,0,0,0|1,0,0]=3 8316 B11R1.41 CNCc1ccccc1SC 207a_100102657272_100011217347 [1,1,0,0,0,0|1,0,0]=3 8317 B11R1.41 CNCc1ccccc1SC 2230a_106832991635_100000699184 [1,1,0,0,0,0|1,0,0]=3 8318 B11R1.41 CNCc1ccccc1SC 270004a_106832991635_100011217347 [1,1,0,0,0,0|1,0,0]=3 8319 B11R1.41 CNCc1ccccc1SC 34a_100102657272_100000699184 [1,1,0,0,0,0|1,0,0]=3 8320 B11R1.41 CNCc1ccccc1SC 34a_102495365025_200000210301 [1,1,0,0,0,0|1,0,0]=3 8321 B11R1.41 CNCc1ccccc1SC 62a_100000184654_200000210301 [1,1,0,0,0,0|1,0,0]=3 8322 B11R1.41 CNCc1ccccc1SC 62a_200000210301_100000184654 [1,1,0,0,0,0|1,0,0]=3 8323 B11R1.41 CNCc1ccccc1SC 7a_106832991635_100000699184 [1,1,0,0,0,0|1,0,0]=3 8324 B11R1.41 CNCc1ccccc1S[13CH3] 62a_100000184654_200025704644 [1,1,0,0,0,0|1,0,0]=3 8325 B11R1.41 CNCc1ccccc1S[13CH3] 62a_200025704644_100000184654 [1,1,0,0,0,0|1,0,0]=3 8326 B11R1.41 CNCc1cccnc1C#N 2230a_106832991635_100011768898 [1,1,0,0,0,0|2,0,0]=4 8327 B11R1.41 CNCc1cccnc1C#N 34a_100102657272_100011768898 [1,1,0,0,0,0|2,0,0]=4 8328 B11R1.41 CNCc1cccnc1C#N 7a_106832991635_100011768898 [1,1,0,0,0,0|2,0,0]=4 8329 B11R1.41 CNCc1cccnc1OC 207a_100102657272_100011290804 [1,1,0,0,0,0|2,0,0]=4 8330 B11R1.41 CNCc1cccnc1OC 2230a_106832991635_100020631285 [1,1,0,0,0,0|2,0,0]=4 8331 B11R1.41 CNCc1cccnc1OC 270004a_106832991635_100011290804 [1,1,0,0,0,0|2,0,0]=4 8332 B11R1.41 CNCc1cccnc1OC 34a_100102657272_100020631285 [1,1,0,0,0,0|2,0,0]=4 8333 B11R1.41 CNCc1cccnc1OC 7a_106832991635_100020631285 [1,1,0,0,0,0|2,0,0]=4 8334 B11R1.41 CNCc1cccnc1SC 62a_103496529121_200000210301 [1,1,0,0,0,0|2,0,0]=4 8335 B11R1.41 CNCc1cccnc1SC 62a_200000210301_103496529121 [1,1,0,0,0,0|2,0,0]=4 8336 B11R1.41 CNCc1cccnc1S[13CH3] 62a_103496529121_200025704644 [1,1,0,0,0,0|2,0,0]=4 8337 B11R1.41 CNCc1cccnc1S[13CH3] 62a_200025704644_103496529121 [1,1,0,0,0,0|2,0,0]=4 8338 B11R1.41 CNCc1ccncc1OC 207a_100102657272_100011361505 [1,1,0,0,0,0|2,0,0]=4 8339 B11R1.41 CNCc1ccncc1OC 2230a_106832991635_100020635607 [1,1,0,0,0,0|2,0,0]=4 8340 B11R1.41 CNCc1ccncc1OC 270004a_106832991635_100011361505 [1,1,0,0,0,0|2,0,0]=4 8341 B11R1.41 CNCc1ccncc1OC 7a_106832991635_100020635607 [1,1,0,0,0,0|2,0,0]=4 8342 B11R1.41 CNCc1cnccc1OC 207a_100102657272_200011997045 [1,1,0,0,0,0|2,0,0]=4 8343 B11R1.41 CNCc1cnccc1OC 270004a_106832991635_200011997045 [1,1,0,0,0,0|2,0,0]=4 8344 B11R1.41 CNCc1ncccc1C#N 2230a_106832991635_100000099805 [1,1,0,0,0,0|2,0,0]=4 8345 B11R1.41 CNCc1ncccc1C#N 7a_106832991635_100000099805 [1,1,0,0,0,0|2,0,0]=4 8346 B11R1.41 CNCc1ncccc1OC 207a_100102657272_100011912573 [1,1,0,0,0,0|2,0,0]=4 8347 B11R1.41 CNCc1ncccc1OC 270004a_106832991635_100011912573 [1,1,0,0,0,0|2,0,0]=4 8348 B11R1.41 CNc1ccccc1CCO 2230a_100011215289_200000210301 [1,1,0,0,0,0|2,0,0]=4 8349 B11R1.41 CNc1ccccc1CCO 34a_100011215289_200000210301 [1,1,0,0,0,0|2,0,0]=4 8350 B11R1.41 COCc1ccccc1C#N 34a_100138415774_100000181865 [1,1,0,0,0,0|2,0,0]=4 8351 B11R1.41 COCc1ccccc1C#N 34a_200011269968_200000210301 [1,1,0,0,0,0|2,0,0]=4 8352 B11R1.41 COCc1ccccc1C#N 7a_200011269968_200000210301 [1,1,0,0,0,0|2,0,0]=4 8353 B11R1.41 COCc1ccccc1C=O 34a_100138415774_200009853537 [1,1,0,0,0,0|2,0,0]=4 8354 B11R1.41 COCc1ccccc1CBr 34a_100009816955_200000210301 [1,1,0,0,0,0|1,1,0]=4 8355 B11R1.41 COCc1ccccc1CBr 7a_100009816955_200000210301 [1,1,0,0,0,0|1,1,0]=4 8356 B11R1.41 COCc1ccccc1CN 34a_100000743596_200000210301 [1,1,0,0,0,0|2,0,0]=4 8357 B11R1.41 COCc1ccccc1CO 34a_100138415774_100009816955 [1,1,0,0,0,0|2,0,0]=4 8358 B11R1.41 COCc1ccccc1OC 34a_100000211301_200000210301 [1,1,0,0,0,0|2,0,0]=4 8359 B11R1.41 COCc1ccccc1OC 34a_100011488565_200000210301 [1,1,0,0,0,0|2,0,0]=4 8360 B11R1.41 COCc1ccccc1OC 34a_100138415774_100000210004 [1,1,0,0,0,0|2,0,0]=4 8361 B11R1.41 COCc1ccccc1OC 7a_100011488565_200000210301 [1,1,0,0,0,0|2,0,0]=4 8362 B11R1.41 COCc1ccccc1O[13CH3] 34a_100011488565_200025704644 [1,1,0,0,0,0|2,0,0]=4 8363 B11R1.41 COCc1ccccc1O[13CH3] 7a_100011488565_200025704644 [1,1,0,0,0,0|2,0,0]=4 8364 B11R1.41 COCc1ccccc1SC 34a_100000699167_200000210301 [1,1,0,0,0,0|2,0,0]=4 8365 B11R1.41 COCc1ccccc1SC 34a_100138415774_100000699184 [1,1,0,0,0,0|2,0,0]=4 8366 B11R1.41 COCc1ccccc1SC 62a_100011493684_200000210301 [1,1,0,0,0,0|2,0,0]=4 8367 B11R1.41 COCc1ccccc1SC 62a_200000210301_100011493684 [1,1,0,0,0,0|2,0,0]=4 8368 B11R1.41 COCc1ccccc1S[13CH3] 62a_100011493684_200025704644 [1,1,0,0,0,0|2,0,0]=4 8369 B11R1.41 COCc1ccccc1S[13CH3] 62a_200025704644_100011493684 [1,1,0,0,0,0|2,0,0]=4 8370 B11R1.41 COc1ccccc1CCBr 34a_100000722297_200000210301 [1,1,0,0,0,0|2,0,0]=4 8371 B11R1.41 COc1ccccc1CCBr 7a_100000722297_200000210301 [1,1,0,0,0,0|2,0,0]=4 8372 B11R1.41 COc1ccccc1CCN 34a_100011207237_200000210301 [1,1,0,0,0,0|1,0,0]=3 8373 B11R1.41 COc1ccccc1CCO 34a_100000719421_200000210301 [1,1,0,0,0,0|2,0,0]=4 8374 B11R1.41 COc1ccccc1CCO 7a_100000719421_200000210301 [1,1,0,0,0,0|2,0,0]=4 8375 B11R1.41 COc1ccccc1CN[13CH3] 34a_100000188900_200025704644 [1,1,0,0,0,0|1,0,0]=3 8376 B11R1.41 COc1ccccc1CO[13CH3] 34a_100000211301_200025704644 [1,1,0,0,0,0|2,0,0]=4 8377 B11R1.41 COc1ccccc1CSC 62a_100000210004_200000210301 [1,1,0,0,0,0|2,0,0]=4 8378 B11R1.41 COc1ccccc1CSC 62a_200000210301_100000210004 [1,1,0,0,0,0|2,0,0]=4 8379 B11R1.41 COc1ccccc1CS[13CH3] 62a_100000210004_200025704644 [1,1,0,0,0,0|2,0,0]=4 8380 B11R1.41 COc1ccccc1CS[13CH3] 62a_200025704644_100000210004 [1,1,0,0,0,0|2,0,0]=4 8381 B11R1.41 CSCc1ccccc1C#N 62a_100000186380_200000210301 [1,1,0,0,0,0|2,0,0]=4 8382 B11R1.41 CSCc1ccccc1C#N 62a_200000210301_100000181865 [1,1,0,0,0,0|2,0,0]=4 8383 B11R1.41 CSCc1ccccc1C=O 62a_200000210301_200009853537 [1,1,0,0,0,0|2,0,0]=4 8384 B11R1.41 CSCc1ccccc1C=O 62a_200009853537_200000210301 [1,1,0,0,0,0|2,0,0]=4 8385 B11R1.41 CSCc1ccccc1CO 62a_100009816955_200000210301 [1,1,0,0,0,0|2,0,0]=4 8386 B11R1.41 CSCc1ccccc1CO 62a_200000210301_100009816955 [1,1,0,0,0,0|2,0,0]=4 8387 B11R1.41 CSCc1ccccc1SC 62a_100000148299_200000210301 [1,1,0,0,0,0|2,0,0]=4 8388 B11R1.41 CSCc1ccccc1SC 62a_100000699184_200000210301 [1,1,0,0,0,0|2,0,0]=4 8389 B11R1.41 CSCc1ccccc1SC 62a_200000210301_100000148299 [1,1,0,0,0,0|2,0,0]=4 8390 B11R1.41 CSCc1ccccc1SC 62a_200000210301_100000699184 [1,1,0,0,0,0|2,0,0]=4 8391 B11R1.41 CSCc1ccccc1S[13CH3] 62a_100000148299_200025704644 [1,1,0,0,0,0|2,0,0]=4 8392 B11R1.41 CSCc1ccccc1S[13CH3] 62a_200025704644_100000148299 [1,1,0,0,0,0|2,0,0]=4 8393 B11R1.41 CSc1ccccc1CCN 62a_100000747383_200000210301 [1,1,0,0,0,0|1,0,0]=3 8394 B11R1.41 CSc1ccccc1CCN 62a_200000210301_100000747383 [1,1,0,0,0,0|1,0,0]=3 8395 B11R1.41 CSc1ccccc1CCO 62a_100000731337_200000210301 [1,1,0,0,0,0|2,0,0]=4 8396 B11R1.41 CSc1ccccc1CCO 62a_200000210301_100000731337 [1,1,0,0,0,0|2,0,0]=4 8397 B11R1.41 CSc1ccccc1CNN 62a_200000210301_200016993956 [1,1,0,0,0,0|2,0,0]=4 8398 B11R1.41 CSc1ccccc1CNN 62a_200016993956_200000210301 [1,1,0,0,0,0|2,0,0]=4 8399 B11R1.41 CSc1ccccc1CN[13CH3] 34a_102495365025_200025704644 [1,1,0,0,0,0|1,0,0]=3 8400 B11R1.41 CSc1ccccc1CO[13CH3] 34a_100000699167_200025704644 [1,1,0,0,0,0|2,0,0]=4 8401 B11R1.41 CSc1ccccc1CS[13CH3] 62a_100000699184_200025704644 [1,1,0,0,0,0|2,0,0]=4 8402 B11R1.41 CSc1ccccc1CS[13CH3] 62a_200025704644_100000699184 [1,1,0,0,0,0|2,0,0]=4 8403 B11R1.41 [13CH3]NCc1ccccc1C#N 34a_100016989011_200025704644 [1,1,0,0,0,0|1,0,0]=3 8404 B11R1.41 [13CH3]Nc1ccccc1CCO 2230a_100011215289_200025704644 [1,1,0,0,0,0|2,0,0]=4 8405 B11R1.41 [13CH3]Nc1ccccc1CCO 34a_100011215289_200025704644 [1,1,0,0,0,0|2,0,0]=4 8406 B11R1.41 [13CH3]OCc1ccccc1C#N 34a_200011269968_200025704644 [1,1,0,0,0,0|2,0,0]=4 8407 B11R1.41 [13CH3]OCc1ccccc1C#N 7a_200011269968_200025704644 [1,1,0,0,0,0|2,0,0]=4 8408 B11R1.41 [13CH3]OCc1ccccc1CBr 34a_100009816955_200025704644 [1,1,0,0,0,0|1,1,0]=4 8409 B11R1.41 [13CH3]OCc1ccccc1CBr 7a_100009816955_200025704644 [1,1,0,0,0,0|1,1,0]=4 8410 B11R1.41 [13CH3]OCc1ccccc1CN 34a_100000743596_200025704644 [1,1,0,0,0,0|2,0,0]=4 8411 B11R1.41 [13CH3]Oc1ccccc1CCBr 34a_100000722297_200025704644 [1,1,0,0,0,0|2,0,0]=4 8412 B11R1.41 [13CH3]Oc1ccccc1CCBr 7a_100000722297_200025704644 [1,1,0,0,0,0|2,0,0]=4 8413 B11R1.41 [13CH3]Oc1ccccc1CCN 34a_100011207237_200025704644 [1,1,0,0,0,0|1,0,0]=3 8414 B11R1.41 [13CH3]Oc1ccccc1CCO 34a_100000719421_200025704644 [1,1,0,0,0,0|2,0,0]=4 8415 B11R1.41 [13CH3]Oc1ccccc1CCO 7a_100000719421_200025704644 [1,1,0,0,0,0|2,0,0]=4 8416 B11R1.41 [13CH3]SCc1ccccc1C#N 62a_100000186380_200025704644 [1,1,0,0,0,0|2,0,0]=4 8417 B11R1.41 [13CH3]SCc1ccccc1C#N 62a_200025704644_100000181865 [1,1,0,0,0,0|2,0,0]=4 8418 B11R1.41 [13CH3]SCc1ccccc1C=O 62a_200009853537_200025704644 [1,1,0,0,0,0|2,0,0]=4 8419 B11R1.41 [13CH3]SCc1ccccc1C=O 62a_200025704644_200009853537 [1,1,0,0,0,0|2,0,0]=4 8420 B11R1.41 [13CH3]SCc1ccccc1CO 62a_100009816955_200025704644 [1,1,0,0,0,0|2,0,0]=4 8421 B11R1.41 [13CH3]SCc1ccccc1CO 62a_200025704644_100009816955 [1,1,0,0,0,0|2,0,0]=4 8422 B11R1.41 [13CH3]Sc1ccccc1CCN 62a_100000747383_200025704644 [1,1,0,0,0,0|1,0,0]=3 8423 B11R1.41 [13CH3]Sc1ccccc1CCN 62a_200025704644_100000747383 [1,1,0,0,0,0|1,0,0]=3 8424 B11R1.41 [13CH3]Sc1ccccc1CCO 62a_100000731337_200025704644 [1,1,0,0,0,0|2,0,0]=4 8425 B11R1.41 [13CH3]Sc1ccccc1CCO 62a_200025704644_100000731337 [1,1,0,0,0,0|2,0,0]=4 8426 B11R1.41 [13CH3]Sc1ccccc1CNN 62a_200016993956_200025704644 [1,1,0,0,0,0|2,0,0]=4 8427 B11R1.41 [13CH3]Sc1ccccc1CNN 62a_200025704644_200016993956 [1,1,0,0,0,0|2,0,0]=4 8428 B11R1.81 CC=Cc1ccc(cc1Cl)Br 271570a_100016259895_100011216062 [1,1,0,0,0,0|0,0,2]=4 8429 B11R1.81 CC=Cc1ccc(cc1Cl)C 271570a_100016259895_100011263221 [1,1,0,0,0,0|0,0,2]=4 8430 B11R1.81 CC=Cc1ccc(cc1Cl)Cl 271570a_100016259895_100000699841 [1,1,0,0,0,0|0,0,2]=4 8431 B11R1.81 CC=Cc1ccc(cc1Cl)F 271570a_100016259895_100000733362 [1,1,0,0,0,0|0,0,2]=4 8432 B11R1.81 CC=Cc1ccc(cc1Cl)N 271570a_100016259895_100000761885 [1,1,0,0,0,0|0,0,2]=4 8433 B11R1.81 CC=Cc1ccc(cc1Cl)O 271570a_100016259895_100000047559 [1,1,0,0,0,0|0,0,2]=4 8434 B11R1.81 CCNc1ccc(cc1Br)Br 34a_100000211012_100000210202 [1,1,0,0,0,0|1,1,0]=4 8435 B11R1.81 CCNc1ccc(cc1Br)C 34a_100000210942_100000210202 [1,1,0,0,0,0|1,1,0]=4 8436 B11R1.81 CCNc1ccc(cc1Br)Cl 34a_100000752454_100000210202 [1,1,0,0,0,0|1,1,0]=4 8437 B11R1.81 CCNc1ccc(cc1Br)F 34a_100000738039_100000210202 [1,1,0,0,0,0|1,1,0]=4 8438 B11R1.81 CCNc1ccc(cc1Br)O 34a_100012001276_100000210202 [1,1,0,0,0,0|1,1,0]=4 8439 B11R1.81 CCNc1ccc(cc1C)Br 34a_100000211769_100000210202 [1,1,0,0,0,0|2,0,0]=4 8440 B11R1.81 CCNc1ccc(cc1C)Br 7a_100000211769_100000210202 [1,1,0,0,0,0|2,0,0]=4 8441 B11R1.81 CCNc1ccc(cc1C)C 34a_100000736561_100000210202 [1,1,0,0,0,0|2,0,0]=4 8442 B11R1.81 CCNc1ccc(cc1C)C 7a_100000736561_100000210202 [1,1,0,0,0,0|2,0,0]=4 8443 B11R1.81 CCNc1ccc(cc1C)Cl 34a_100000210418_100000210202 [1,1,0,0,0,0|2,0,0]=4 8444 B11R1.81 CCNc1ccc(cc1C)Cl 7a_100000210418_100000210202 [1,1,0,0,0,0|2,0,0]=4 8445 B11R1.81 CCNc1ccc(cc1C)F 34a_100000211637_100000210202 [1,1,0,0,0,0|2,0,0]=4 8446 B11R1.81 CCNc1ccc(cc1C)F 7a_100000211637_100000210202 [1,1,0,0,0,0|2,0,0]=4 8447 B11R1.81 CCNc1ccc(cc1C)I 34a_100000184554_100000210202 [1,1,0,0,0,0|2,0,0]=4 8448 B11R1.81 CCNc1ccc(cc1C)I 7a_100000184554_100000210202 [1,1,0,0,0,0|2,0,0]=4 8449 B11R1.81 CCNc1ccc(cc1C)O 34a_100000756630_100000210202 [1,1,0,0,0,0|2,0,0]=4 8450 B11R1.81 CCNc1ccc(cc1Cl)Br 34a_100000211467_100000210202 [1,1,0,0,0,0|1,0,0]=3 8451 B11R1.81 CCNc1ccc(cc1Cl)C 34a_100000210522_100000210202 [1,1,0,0,0,0|1,0,0]=3 8452 B11R1.81 CCNc1ccc(cc1Cl)Cl 34a_100000185861_100000210202 [1,1,0,0,0,0|1,0,0]=3 8453 B11R1.81 CCNc1ccc(cc1Cl)F 34a_100000212003_100000210202 [1,1,0,0,0,0|1,0,0]=3 8454 B11R1.81 CCNc1ccc(cc1Cl)I 34a_100011218065_100000210202 [1,1,0,0,0,0|1,0,0]=3 8455 B11R1.81 CCNc1ccc(cc1Cl)O 34a_100011215599_100000210202 [1,1,0,0,0,0|1,0,0]=3 8456 B11R1.81 CCNc1ccc(cc1F)Br 34a_100000210722_100000210202 [1,1,0,0,0,0|1,1,0]=4 8457 B11R1.81 CCNc1ccc(cc1F)C 34a_100000211023_100000210202 [1,1,0,0,0,0|1,1,0]=4 8458 B11R1.81 CCNc1ccc(cc1F)Cl 34a_100000211020_100000210202 [1,1,0,0,0,0|1,1,0]=4 8459 B11R1.81 CCNc1ccc(cc1F)F 34a_100000210720_100000210202 [1,1,0,0,0,0|1,1,0]=4 8460 B11R1.81 CCNc1ccc(cc1F)I 34a_100011215594_100000210202 [1,1,0,0,0,0|1,1,0]=4 8461 B11R1.81 CCNc1ccc(cc1F)O 34a_100000759473_100000210202 [1,1,0,0,0,0|1,1,0]=4 8462 B11R1.81 CCNc1ccc(cc1I)Br 34a_100000187925_100000210202 [1,1,0,0,0,0|1,1,0]=4 8463 B11R1.81 CCNc1ccc(cc1I)C 34a_100011356834_100000210202 [1,1,0,0,0,0|1,1,0]=4 8464 B11R1.81 CCNc1ccc(cc1I)Cl 34a_100000761889_100000210202 [1,1,0,0,0,0|1,1,0]=4 8465 B11R1.81 CCNc1ccc(cc1I)F 34a_100000760547_100000210202 [1,1,0,0,0,0|1,1,0]=4 8466 B11R1.81 CCNc1ccc(cc1I)O 34a_100010084370_100000210202 [1,1,0,0,0,0|1,1,0]=4 8467 B11R1.81 CCNc1ccc(cc1O)Br 34a_100000739049_100000210202 [1,1,0,0,0,0|2,0,0]=4 8468 B11R1.81 CCNc1ccc(cc1O)C 34a_100000211527_100000210202 [1,1,0,0,0,0|2,0,0]=4 8469 B11R1.81 CCNc1ccc(cc1O)Cl 34a_100000185728_100000210202 [1,1,0,0,0,0|2,0,0]=4 8470 B11R1.81 CCNc1ccc(cc1O)F 34a_100000753323_100000210202 [1,1,0,0,0,0|2,0,0]=4 8471 B11R1.81 CCNc1ccc(cc1O)O 34a_100000106777_100000210202 [1,1,0,0,0,0|2,0,0]=4 8472 B11R1.81 CCOc1ccc(cc1Br)Br 34a_100000188717_100000210202 [1,1,0,0,0,0|1,1,0]=4 8473 B11R1.81 CCOc1ccc(cc1Br)Br 7a_100000188717_100000210202 [1,1,0,0,0,0|1,1,0]=4 8474 B11R1.81 CCOc1ccc(cc1Br)C 34a_100000210800_100000210202 [1,1,0,0,0,0|1,1,0]=4 8475 B11R1.81 CCOc1ccc(cc1Br)C 7a_100000210800_100000210202 [1,1,0,0,0,0|1,1,0]=4 8476 B11R1.81 CCOc1ccc(cc1Br)Cl 34a_100000211998_100000210202 [1,1,0,0,0,0|1,1,0]=4 8477 B11R1.81 CCOc1ccc(cc1Br)Cl 7a_100000211998_100000210202 [1,1,0,0,0,0|1,1,0]=4 8478 B11R1.81 CCOc1ccc(cc1Br)F 34a_100000211999_100000210202 [1,1,0,0,0,0|1,1,0]=4 8479 B11R1.81 CCOc1ccc(cc1Br)F 7a_100000211999_100000210202 [1,1,0,0,0,0|1,1,0]=4 8480 B11R1.81 CCOc1ccc(cc1Br)I 34a_100012361655_100000210202 [1,1,0,0,0,0|1,1,0]=4 8481 B11R1.81 CCOc1ccc(cc1Br)I 7a_100012361655_100000210202 [1,1,0,0,0,0|1,1,0]=4 8482 B11R1.81 CCOc1ccc(cc1Br)N 34a_100011534360_100000210202 [1,1,0,0,0,0|1,1,0]=4 8483 B11R1.81 CCOc1ccc(cc1Br)N 7a_100011534360_100000210202 [1,1,0,0,0,0|1,1,0]=4 8484 B11R1.81 CCOc1ccc(cc1C)Br 34a_100000186361_100000210202 [1,1,0,0,0,0|2,0,0]=4 8485 B11R1.81 CCOc1ccc(cc1C)Br 7a_100000186361_100000210202 [1,1,0,0,0,0|2,0,0]=4 8486 B11R1.81 CCOc1ccc(cc1C)C 34a_100000211776_100000210202 [1,1,0,0,0,0|2,0,0]=4 8487 B11R1.81 CCOc1ccc(cc1C)C 7a_100000211776_100000210202 [1,1,0,0,0,0|2,0,0]=4 8488 B11R1.81 CCOc1ccc(cc1C)Cl 34a_100000211091_100000210202 [1,1,0,0,0,0|2,0,0]=4 8489 B11R1.81 CCOc1ccc(cc1C)Cl 7a_100000211091_100000210202 [1,1,0,0,0,0|2,0,0]=4 8490 B11R1.81 CCOc1ccc(cc1C)F 34a_100000764316_100000210202 [1,1,0,0,0,0|2,0,0]=4 8491 B11R1.81 CCOc1ccc(cc1C)F 7a_100000764316_100000210202 [1,1,0,0,0,0|2,0,0]=4 8492 B11R1.81 CCOc1ccc(cc1C)I 34a_100011218673_100000210202 [1,1,0,0,0,0|2,0,0]=4 8493 B11R1.81 CCOc1ccc(cc1C)I 7a_100011218673_100000210202 [1,1,0,0,0,0|2,0,0]=4 8494 B11R1.81 CCOc1ccc(cc1C)N 34a_100011218179_100000210202 [1,1,0,0,0,0|2,0,0]=4 8495 B11R1.81 CCOc1ccc(cc1C)N 7a_100011218179_100000210202 [1,1,0,0,0,0|2,0,0]=4 8496 B11R1.81 CCOc1ccc(cc1C)O 271570a_203496583355_100011308936 [1,1,0,0,0,0|2,0,0]=4 8497 B11R1.81 CCOc1ccc(cc1Cl)Br 34a_100000186472_100000210202 [1,1,0,0,0,0|1,0,0]=3 8498 B11R1.81 CCOc1ccc(cc1Cl)Br 7a_100000186472_100000210202 [1,1,0,0,0,0|1,0,0]=3 8499 B11R1.81 CCOc1ccc(cc1Cl)C 34a_100000749699_100000210202 [1,1,0,0,0,0|1,0,0]=3 8500 B11R1.81 CCOc1ccc(cc1Cl)C 7a_100000749699_100000210202 [1,1,0,0,0,0|1,0,0]=3 8501 B11R1.81 CCOc1ccc(cc1Cl)Cl 34a_100015191787_100000210202 [1,1,0,0,0,0|1,0,0]=3 8502 B11R1.81 CCOc1ccc(cc1Cl)Cl 7a_100015191787_100000210202 [1,1,0,0,0,0|1,0,0]=3 8503 B11R1.81 CCOc1ccc(cc1Cl)F 34a_100000212004_100000210202 [1,1,0,0,0,0|1,0,0]=3 8504 B11R1.81 CCOc1ccc(cc1Cl)F 7a_100000212004_100000210202 [1,1,0,0,0,0|1,0,0]=3 8505 B11R1.81 CCOc1ccc(cc1Cl)I 34a_100012360047_100000210202 [1,1,0,0,0,0|1,0,0]=3 8506 B11R1.81 CCOc1ccc(cc1Cl)I 7a_100012360047_100000210202 [1,1,0,0,0,0|1,0,0]=3 8507 B11R1.81 CCOc1ccc(cc1Cl)N 34a_100000744943_100000210202 [1,1,0,0,0,0|1,0,0]=3 8508 B11R1.81 CCOc1ccc(cc1Cl)N 7a_100000744943_100000210202 [1,1,0,0,0,0|1,0,0]=3 8509 B11R1.81 CCOc1ccc(cc1F)Br 34a_100000185481_100000210202 [1,1,0,0,0,0|1,1,0]=4 8510 B11R1.81 CCOc1ccc(cc1F)Br 7a_100000185481_100000210202 [1,1,0,0,0,0|1,1,0]=4 8511 B11R1.81 CCOc1ccc(cc1F)C 34a_100011216688_100000210202 [1,1,0,0,0,0|1,1,0]=4 8512 B11R1.81 CCOc1ccc(cc1F)C 7a_100011216688_100000210202 [1,1,0,0,0,0|1,1,0]=4 8513 B11R1.81 CCOc1ccc(cc1F)Cl 34a_100000230166_100000210202 [1,1,0,0,0,0|1,1,0]=4 8514 B11R1.81 CCOc1ccc(cc1F)Cl 7a_100000230166_100000210202 [1,1,0,0,0,0|1,1,0]=4 8515 B11R1.81 CCOc1ccc(cc1F)F 34a_100000230127_100000210202 [1,1,0,0,0,0|1,1,0]=4 8516 B11R1.81 CCOc1ccc(cc1F)F 7a_100000230127_100000210202 [1,1,0,0,0,0|1,1,0]=4 8517 B11R1.81 CCOc1ccc(cc1F)I 34a_100011356965_100000210202 [1,1,0,0,0,0|1,1,0]=4 8518 B11R1.81 CCOc1ccc(cc1F)I 7a_100011356965_100000210202 [1,1,0,0,0,0|1,1,0]=4 8519 B11R1.81 CCOc1ccc(cc1F)N 34a_100011220035_100000210202 [1,1,0,0,0,0|1,1,0]=4 8520 B11R1.81 CCOc1ccc(cc1F)N 7a_100011220035_100000210202 [1,1,0,0,0,0|1,1,0]=4 8521 B11R1.81 CCOc1ccc(cc1F)O 271570a_203496583355_200000171753 [1,1,0,0,0,0|1,1,0]=4 8522 B11R1.81 CCOc1ccc(cc1I)Br 34a_100012355227_100000210202 [1,1,0,0,0,0|1,1,0]=4 8523 B11R1.81 CCOc1ccc(cc1I)Br 7a_100012355227_100000210202 [1,1,0,0,0,0|1,1,0]=4 8524 B11R1.81 CCOc1ccc(cc1I)C 34a_100000765521_100000210202 [1,1,0,0,0,0|1,1,0]=4 8525 B11R1.81 CCOc1ccc(cc1I)C 7a_100000765521_100000210202 [1,1,0,0,0,0|1,1,0]=4 8526 B11R1.81 CCOc1ccc(cc1I)Cl 34a_100011356953_100000210202 [1,1,0,0,0,0|1,1,0]=4 8527 B11R1.81 CCOc1ccc(cc1I)Cl 7a_100011356953_100000210202 [1,1,0,0,0,0|1,1,0]=4 8528 B11R1.81 CCOc1ccc(cc1I)F 34a_100012355409_100000210202 [1,1,0,0,0,0|1,1,0]=4 8529 B11R1.81 CCOc1ccc(cc1I)F 7a_100012355409_100000210202 [1,1,0,0,0,0|1,1,0]=4 8530 B11R1.81 CCOc1ccc(cc1I)I 7a_100010001573_100000210202 [1,1,0,0,0,0|1,1,0]=4 8531 B11R1.81 CCOc1ccc(cc1N)Br 34a_100000752626_100000210202 [1,1,0,0,0,0|2,0,0]=4 8532 B11R1.81 CCOc1ccc(cc1N)Br 7a_100000752626_100000210202 [1,1,0,0,0,0|2,0,0]=4 8533 B11R1.81 CCOc1ccc(cc1N)C 34a_100011215204_100000210202 [1,1,0,0,0,0|2,0,0]=4 8534 B11R1.81 CCOc1ccc(cc1N)C 7a_100011215204_100000210202 [1,1,0,0,0,0|2,0,0]=4 8535 B11R1.81 CCOc1ccc(cc1N)Cl 34a_100000210500_100000210202 [1,1,0,0,0,0|2,0,0]=4 8536 B11R1.81 CCOc1ccc(cc1N)Cl 7a_100000210500_100000210202 [1,1,0,0,0,0|2,0,0]=4 8537 B11R1.81 CCOc1ccc(cc1N)F 34a_100000759472_100000210202 [1,1,0,0,0,0|2,0,0]=4 8538 B11R1.81 CCOc1ccc(cc1N)F 7a_100000759472_100000210202 [1,1,0,0,0,0|2,0,0]=4 8539 B11R1.81 CCOc1ccc(cc1N)I 34a_100000753495_100000210202 [1,1,0,0,0,0|2,0,0]=4 8540 B11R1.81 CCOc1ccc(cc1N)I 7a_100000753495_100000210202 [1,1,0,0,0,0|2,0,0]=4 8541 B11R1.81 CCOc1ccc(cc1N)N 34a_100000725306_100000210202 [1,1,0,0,0,0|2,0,0]=4 8542 B11R1.81 CCOc1ccc(cc1N)O 271570a_203496583355_100000751366 [1,1,0,0,0,0|2,0,0]=4 8543 B11R1.81 CCOc1ccc(cc1O)C 271570a_203496583355_200000230997 [1,1,0,0,0,0|2,0,0]=4 8544 B11R1.81 CCOc1ccc(cc1O)F 271570a_203496583355_100000171695 [1,1,0,0,0,0|2,0,0]=4 8545 B11R1.81 CCOc1ccc(nc1Cl)Br 34a_100010246206_100000210202 [1,1,0,0,0,0|2,0,0]=4 8546 B11R1.81 CCOc1ccc(nc1Cl)Br 7a_100010246206_100000210202 [1,1,0,0,0,0|2,0,0]=4 8547 B11R1.81 CCOc1ccc(nc1Cl)C 34a_100000086286_100000210202 [1,1,0,0,0,0|2,0,0]=4 8548 B11R1.81 CCOc1ccc(nc1Cl)C 7a_100000086286_100000210202 [1,1,0,0,0,0|2,0,0]=4 8549 B11R1.81 CCOc1ccc(nc1Cl)Cl 34a_100000101165_100000210202 [1,1,0,0,0,0|2,0,0]=4 8550 B11R1.81 CCOc1ccc(nc1Cl)Cl 7a_100000101165_100000210202 [1,1,0,0,0,0|2,0,0]=4 8551 B11R1.81 CCOc1ccc(nc1Cl)I 34a_100000721234_100000210202 [1,1,0,0,0,0|2,0,0]=4 8552 B11R1.81 CCOc1ccc(nc1Cl)I 7a_100000721234_100000210202 [1,1,0,0,0,0|2,0,0]=4 8553 B11R1.81 CCOc1cnc(cc1Cl)Cl 34a_100009868576_100000210202 [1,1,0,0,0,0|2,0,0]=4 8554 B11R1.81 CCOc1cnc(cc1Cl)Cl 7a_100009868576_100000210202 [1,1,0,0,0,0|2,0,0]=4 8555 B11R1.81 CCOc1ncc(cc1Cl)Br 34a_100012339560_100000210202 [1,1,0,0,0,0|2,0,0]=4 8556 B11R1.81 CCOc1ncc(cc1Cl)F 34a_100009847679_100000210202 [1,1,0,0,0,0|2,0,0]=4 8557 B11R1.81 CCSc1ccc(cc1Br)Br 62a_100000210202_100011484698 [1,1,0,0,0,0|1,1,0]=4 8558 B11R1.81 CCSc1ccc(cc1Br)Br 62a_100011484698_100000210202 [1,1,0,0,0,0|1,1,0]=4 8559 B11R1.81 CCSc1ccc(cc1Br)C 62a_100000210202_100009813563 [1,1,0,0,0,0|1,1,0]=4 8560 B11R1.81 CCSc1ccc(cc1Br)C 62a_100009813563_100000210202 [1,1,0,0,0,0|1,1,0]=4 8561 B11R1.81 CCSc1ccc(cc1Br)Cl 62a_100000210202_100011219703 [1,1,0,0,0,0|1,1,0]=4 8562 B11R1.81 CCSc1ccc(cc1Br)Cl 62a_100011219703_100000210202 [1,1,0,0,0,0|1,1,0]=4 8563 B11R1.81 CCSc1ccc(cc1Br)F 62a_100000210202_100011217111 [1,1,0,0,0,0|1,1,0]=4 8564 B11R1.81 CCSc1ccc(cc1Br)F 62a_100011217111_100000210202 [1,1,0,0,0,0|1,1,0]=4 8565 B11R1.81 CCSc1ccc(cc1Br)N 62a_100000210202_100000750458 [1,1,0,0,0,0|1,1,0]=4 8566 B11R1.81 CCSc1ccc(cc1Br)N 62a_100000750458_100000210202 [1,1,0,0,0,0|1,1,0]=4 8567 B11R1.81 CCSc1ccc(cc1Br)O 62a_100000210202_100000701344 [1,1,0,0,0,0|1,1,0]=4 8568 B11R1.81 CCSc1ccc(cc1Br)O 62a_100000701344_100000210202 [1,1,0,0,0,0|1,1,0]=4 8569 B11R1.81 CCSc1ccc(cc1C)Br 62a_100000210202_100000701812 [1,1,0,0,0,0|2,0,0]=4 8570 B11R1.81 CCSc1ccc(cc1C)Br 62a_100000701812_100000210202 [1,1,0,0,0,0|2,0,0]=4 8571 B11R1.81 CCSc1ccc(cc1C)C 62a_100000210202_100011217332 [1,1,0,0,0,0|2,0,0]=4 8572 B11R1.81 CCSc1ccc(cc1C)C 62a_100011217332_100000210202 [1,1,0,0,0,0|2,0,0]=4 8573 B11R1.81 CCSc1ccc(cc1C)Cl 62a_100000210202_100011219607 [1,1,0,0,0,0|2,0,0]=4 8574 B11R1.81 CCSc1ccc(cc1C)Cl 62a_100011219607_100000210202 [1,1,0,0,0,0|2,0,0]=4 8575 B11R1.81 CCSc1ccc(cc1C)F 62a_100000210202_100011205405 [1,1,0,0,0,0|2,0,0]=4 8576 B11R1.81 CCSc1ccc(cc1C)F 62a_100011205405_100000210202 [1,1,0,0,0,0|2,0,0]=4 8577 B11R1.81 CCSc1ccc(cc1C)N 62a_100000210202_100000210723 [1,1,0,0,0,0|2,0,0]=4 8578 B11R1.81 CCSc1ccc(cc1C)N 62a_100000210723_100000210202 [1,1,0,0,0,0|2,0,0]=4 8579 B11R1.81 CCSc1ccc(cc1C)O 62a_100000210202_100000690111 [1,1,0,0,0,0|2,0,0]=4 8580 B11R1.81 CCSc1ccc(cc1Cl)Br 62a_100000210202_100011216062 [1,1,0,0,0,0|1,0,0]=3 8581 B11R1.81 CCSc1ccc(cc1Cl)Br 62a_100011216062_100000210202 [1,1,0,0,0,0|1,0,0]=3 8582 B11R1.81 CCSc1ccc(cc1Cl)C 62a_100000210202_100011263221 [1,1,0,0,0,0|1,0,0]=3 8583 B11R1.81 CCSc1ccc(cc1Cl)C 62a_100011263221_100000210202 [1,1,0,0,0,0|1,0,0]=3 8584 B11R1.81 CCSc1ccc(cc1Cl)Cl 62a_100000210202_100000699841 [1,1,0,0,0,0|1,0,0]=3 8585 B11R1.81 CCSc1ccc(cc1Cl)Cl 62a_100000699841_100000210202 [1,1,0,0,0,0|1,0,0]=3 8586 B11R1.81 CCSc1ccc(cc1Cl)F 62a_100000210202_100000733362 [1,1,0,0,0,0|1,0,0]=3 8587 B11R1.81 CCSc1ccc(cc1Cl)F 62a_100000733362_100000210202 [1,1,0,0,0,0|1,0,0]=3 8588 B11R1.81 CCSc1ccc(cc1Cl)N 62a_100000210202_100000761885 [1,1,0,0,0,0|1,0,0]=3 8589 B11R1.81 CCSc1ccc(cc1Cl)N 62a_100000761885_100000210202 [1,1,0,0,0,0|1,0,0]=3 8590 B11R1.81 CCSc1ccc(cc1Cl)O 62a_100000047559_100000210202 [1,1,0,0,0,0|1,0,0]=3 8591 B11R1.81 CCSc1ccc(cc1Cl)O 62a_100000210202_100000047559 [1,1,0,0,0,0|1,0,0]=3 8592 B11R1.81 CCSc1ccc(cc1F)Br 62a_100000210202_100009814013 [1,1,0,0,0,0|1,1,0]=4 8593 B11R1.81 CCSc1ccc(cc1F)Br 62a_100009814013_100000210202 [1,1,0,0,0,0|1,1,0]=4 8594 B11R1.81 CCSc1ccc(cc1F)C 62a_100000210202_100011216119 [1,1,0,0,0,0|1,1,0]=4 8595 B11R1.81 CCSc1ccc(cc1F)C 62a_100011216119_100000210202 [1,1,0,0,0,0|1,1,0]=4 8596 B11R1.81 CCSc1ccc(cc1F)Cl 62a_100000210202_100011216042 [1,1,0,0,0,0|1,1,0]=4 8597 B11R1.81 CCSc1ccc(cc1F)Cl 62a_100011216042_100000210202 [1,1,0,0,0,0|1,1,0]=4 8598 B11R1.81 CCSc1ccc(cc1F)F 62a_100000210202_100000750030 [1,1,0,0,0,0|1,1,0]=4 8599 B11R1.81 CCSc1ccc(cc1F)F 62a_100000750030_100000210202 [1,1,0,0,0,0|1,1,0]=4 8600 B11R1.81 CCSc1ccc(cc1F)N 62a_100000210202_100011356925 [1,1,0,0,0,0|1,1,0]=4 8601 B11R1.81 CCSc1ccc(cc1F)N 62a_100011356925_100000210202 [1,1,0,0,0,0|1,1,0]=4 8602 B11R1.81 CCSc1ccc(cc1F)O 62a_100000210202_100000755031 [1,1,0,0,0,0|1,1,0]=4 8603 B11R1.81 CCSc1ccc(cc1F)O 62a_100000755031_100000210202 [1,1,0,0,0,0|1,1,0]=4 8604 B11R1.81 CCSc1ccc(cc1N)Br 62a_100000210202_100000743836 [1,1,0,0,0,0|2,0,0]=4 8605 B11R1.81 CCSc1ccc(cc1N)Br 62a_100000743836_100000210202 [1,1,0,0,0,0|2,0,0]=4 8606 B11R1.81 CCSc1ccc(cc1N)C 62a_100000210202_100011216686 [1,1,0,0,0,0|2,0,0]=4 8607 B11R1.81 CCSc1ccc(cc1N)C 62a_100011216686_100000210202 [1,1,0,0,0,0|2,0,0]=4 8608 B11R1.81 CCSc1ccc(cc1N)Cl 62a_100000210202_100000761886 [1,1,0,0,0,0|2,0,0]=4 8609 B11R1.81 CCSc1ccc(cc1N)Cl 62a_100000761886_100000210202 [1,1,0,0,0,0|2,0,0]=4 8610 B11R1.81 CCSc1ccc(cc1N)F 62a_100000210202_100000687223 [1,1,0,0,0,0|2,0,0]=4 8611 B11R1.81 CCSc1ccc(cc1N)F 62a_100000687223_100000210202 [1,1,0,0,0,0|2,0,0]=4 8612 B11R1.81 CCSc1ccc(cc1N)N 62a_100000210202_200012175722 [1,1,0,0,0,0|2,0,0]=4 8613 B11R1.81 CCSc1ccc(cc1N)N 62a_200012175722_100000210202 [1,1,0,0,0,0|2,0,0]=4 8614 B11R1.81 CCSc1ccc(cc1N)O 62a_100000210202_100011999798 [1,1,0,0,0,0|2,0,0]=4 8615 B11R1.81 CCSc1ccc(cc1N)O 62a_100011999798_100000210202 [1,1,0,0,0,0|2,0,0]=4 8616 B11R1.81 CCSc1ccc(cc1O)Br 62a_100000210202_100012344904 [1,1,0,0,0,0|2,0,0]=4 8617 B11R1.81 CCSc1ccc(cc1O)Br 62a_100012344904_100000210202 [1,1,0,0,0,0|2,0,0]=4 8618 B11R1.81 CCSc1ccc(cc1O)C 62a_100000210202_100012002257 [1,1,0,0,0,0|2,0,0]=4 8619 B11R1.81 CCSc1ccc(cc1O)C 62a_100012002257_100000210202 [1,1,0,0,0,0|2,0,0]=4 8620 B11R1.81 CCSc1ccc(cc1O)Cl 62a_100000050036_100000210202 [1,1,0,0,0,0|2,0,0]=4 8621 B11R1.81 CCSc1ccc(cc1O)Cl 62a_100000210202_100000050036 [1,1,0,0,0,0|2,0,0]=4 8622 B11R1.81 CCSc1ccc(cc1O)F 62a_100000210202_100000690578 [1,1,0,0,0,0|2,0,0]=4 8623 B11R1.81 CCSc1ccc(cc1O)F 62a_100000690578_100000210202 [1,1,0,0,0,0|2,0,0]=4 8624 B11R1.81 CCSc1ccc(cc1O)O 62a_100000210202_100009813921 [1,1,0,0,0,0|2,0,0]=4 8625 B11R1.81 CCSc1ccc(nc1Cl)Br 62a_100000210202_100010246183 [1,1,0,0,0,0|2,0,0]=4 8626 B11R1.81 CCSc1ccc(nc1Cl)Br 62a_100010246183_100000210202 [1,1,0,0,0,0|2,0,0]=4 8627 B11R1.81 CCSc1ccc(nc1Cl)Cl 62a_100000210202_100000043682 [1,1,0,0,0,0|2,0,0]=4 8628 B11R1.81 CCSc1ccc(nc1Cl)N 62a_100000210202_100010270343 [1,1,0,0,0,0|2,0,0]=4 8629 B11R1.81 CCSc1ccc(nc1Cl)N 62a_100010270343_100000210202 [1,1,0,0,0,0|2,0,0]=4 8630 B11R1.81 CCSc1cnc(cc1Cl)Br 62a_100000210202_100010381092 [1,1,0,0,0,0|2,0,0]=4 8631 B11R1.81 CCSc1cnc(cc1Cl)Br 62a_100010381092_100000210202 [1,1,0,0,0,0|2,0,0]=4 8632 B11R1.81 CCSc1cnc(cc1Cl)Cl 62a_100000210202_100010200927 [1,1,0,0,0,0|2,0,0]=4 8633 B11R1.81 CCSc1cnc(cc1Cl)Cl 62a_100010200927_100000210202 [1,1,0,0,0,0|2,0,0]=4 8634 B11R1.81 CCSc1cnc(cc1Cl)N 62a_100000210202_100000694920 [1,1,0,0,0,0|2,0,0]=4 8635 B11R1.81 CCSc1cnc(cc1Cl)N 62a_100000694920_100000210202 [1,1,0,0,0,0|2,0,0]=4 8636 B11R1.81 CNCc1ccc(cc1Br)Br 207a_100102657272_100012351556 [1,1,0,0,0,0|0,1,0]=3 8637 B11R1.81 CNCc1ccc(cc1Br)Br 2230a_106832991635_200012351560 [1,1,0,0,0,0|0,1,0]=3 8638 B11R1.81 CNCc1ccc(cc1Br)Br 26a_100102657272_100000188717 [1,1,0,0,0,0|0,1,0]=3 8639 B11R1.81 CNCc1ccc(cc1Br)Br 270004a_106832991635_100012351556 [1,1,0,0,0,0|0,1,0]=3 8640 B11R1.81 CNCc1ccc(cc1Br)Br 34a_100102657272_200012351560 [1,1,0,0,0,0|0,1,0]=3 8641 B11R1.81 CNCc1ccc(cc1Br)Br 7a_106832991635_200012351560 [1,1,0,0,0,0|0,1,0]=3 8642 B11R1.81 CNCc1ccc(cc1Br)C 207a_100102657272_100000692596 [1,1,0,0,0,0|0,1,0]=3 8643 B11R1.81 CNCc1ccc(cc1Br)C 26a_100102657272_100000210800 [1,1,0,0,0,0|0,1,0]=3 8644 B11R1.81 CNCc1ccc(cc1Br)C 270004a_106832991635_100000692596 [1,1,0,0,0,0|0,1,0]=3 8645 B11R1.81 CNCc1ccc(cc1Br)Cl 207a_100102657272_100000687667 [1,1,0,0,0,0|0,1,0]=3 8646 B11R1.81 CNCc1ccc(cc1Br)Cl 2230a_106832991635_100000755608 [1,1,0,0,0,0|0,1,0]=3 8647 B11R1.81 CNCc1ccc(cc1Br)Cl 26a_100102657272_100000211998 [1,1,0,0,0,0|0,1,0]=3 8648 B11R1.81 CNCc1ccc(cc1Br)Cl 270004a_106832991635_100000687667 [1,1,0,0,0,0|0,1,0]=3 8649 B11R1.81 CNCc1ccc(cc1Br)Cl 34a_100102657272_100000755608 [1,1,0,0,0,0|0,1,0]=3 8650 B11R1.81 CNCc1ccc(cc1Br)Cl 34a_100102692131_200000210301 [1,1,0,0,0,0|0,1,0]=3 8651 B11R1.81 CNCc1ccc(cc1Br)Cl 7a_106832991635_100000755608 [1,1,0,0,0,0|0,1,0]=3 8652 B11R1.81 CNCc1ccc(cc1Br)F 207a_100102657272_100000685661 [1,1,0,0,0,0|0,1,0]=3 8653 B11R1.81 CNCc1ccc(cc1Br)F 2230a_106832991635_100000243222 [1,1,0,0,0,0|0,1,0]=3 8654 B11R1.81 CNCc1ccc(cc1Br)F 26a_100102657272_100000211999 [1,1,0,0,0,0|0,1,0]=3 8655 B11R1.81 CNCc1ccc(cc1Br)F 270004a_106832991635_100000685661 [1,1,0,0,0,0|0,1,0]=3 8656 B11R1.81 CNCc1ccc(cc1Br)F 34a_100000708791_200000210301 [1,1,0,0,0,0|0,1,0]=3 8657 B11R1.81 CNCc1ccc(cc1Br)F 34a_100102657272_100000243222 [1,1,0,0,0,0|0,1,0]=3 8658 B11R1.81 CNCc1ccc(cc1Br)F 7a_106832991635_100000243222 [1,1,0,0,0,0|0,1,0]=3 8659 B11R1.81 CNCc1ccc(cc1Br)I 207a_100102657272_100010185650 [1,1,0,0,0,0|0,1,0]=3 8660 B11R1.81 CNCc1ccc(cc1Br)I 2230a_106832991635_100010146610 [1,1,0,0,0,0|0,1,0]=3 8661 B11R1.81 CNCc1ccc(cc1Br)I 26a_100102657272_100012361655 [1,1,0,0,0,0|0,1,0]=3 8662 B11R1.81 CNCc1ccc(cc1Br)I 34a_100102657272_100010146610 [1,1,0,0,0,0|0,1,0]=3 8663 B11R1.81 CNCc1ccc(cc1Br)I 7a_106832991635_100010146610 [1,1,0,0,0,0|0,1,0]=3 8664 B11R1.81 CNCc1ccc(cc1C)Br 207a_100102657272_100000687586 [1,1,0,0,0,0|1,0,0]=3 8665 B11R1.81 CNCc1ccc(cc1C)Br 2230a_106832991635_100000708836 [1,1,0,0,0,0|1,0,0]=3 8666 B11R1.81 CNCc1ccc(cc1C)Br 26a_100102657272_100000186361 [1,1,0,0,0,0|1,0,0]=3 8667 B11R1.81 CNCc1ccc(cc1C)Br 270004a_106832991635_100000687586 [1,1,0,0,0,0|1,0,0]=3 8668 B11R1.81 CNCc1ccc(cc1C)Br 34a_100000753881_200000210301 [1,1,0,0,0,0|1,0,0]=3 8669 B11R1.81 CNCc1ccc(cc1C)Br 34a_100102657272_100000708836 [1,1,0,0,0,0|1,0,0]=3 8670 B11R1.81 CNCc1ccc(cc1C)Br 7a_106832991635_100000708836 [1,1,0,0,0,0|1,0,0]=3 8671 B11R1.81 CNCc1ccc(cc1C)C 207a_100102657272_100000211342 [1,1,0,0,0,0|1,0,0]=3 8672 B11R1.81 CNCc1ccc(cc1C)C 2230a_106832991635_100011219618 [1,1,0,0,0,0|1,0,0]=3 8673 B11R1.81 CNCc1ccc(cc1C)C 270004a_106832991635_100000211342 [1,1,0,0,0,0|1,0,0]=3 8674 B11R1.81 CNCc1ccc(cc1C)C 34a_100000737523_200000210301 [1,1,0,0,0,0|1,0,0]=3 8675 B11R1.81 CNCc1ccc(cc1C)C 34a_100102657272_100011219618 [1,1,0,0,0,0|1,0,0]=3 8676 B11R1.81 CNCc1ccc(cc1C)C 7a_106832991635_100011219618 [1,1,0,0,0,0|1,0,0]=3 8677 B11R1.81 CNCc1ccc(cc1C)Cl 207a_100102657272_100000766358 [1,1,0,0,0,0|1,0,0]=3 8678 B11R1.81 CNCc1ccc(cc1C)Cl 2230a_106832991635_100012361307 [1,1,0,0,0,0|1,0,0]=3 8679 B11R1.81 CNCc1ccc(cc1C)Cl 270004a_106832991635_100000766358 [1,1,0,0,0,0|1,0,0]=3 8680 B11R1.81 CNCc1ccc(cc1C)Cl 34a_100102657272_100012361307 [1,1,0,0,0,0|1,0,0]=3 8681 B11R1.81 CNCc1ccc(cc1C)Cl 34a_103436540063_200000210301 [1,1,0,0,0,0|1,0,0]=3 8682 B11R1.81 CNCc1ccc(cc1C)Cl 7a_106832991635_100012361307 [1,1,0,0,0,0|1,0,0]=3 8683 B11R1.81 CNCc1ccc(cc1C)F 207a_100102657272_100000745986 [1,1,0,0,0,0|1,0,0]=3 8684 B11R1.81 CNCc1ccc(cc1C)F 2230a_106832991635_100000700533 [1,1,0,0,0,0|1,0,0]=3 8685 B11R1.81 CNCc1ccc(cc1C)F 270004a_106832991635_100000745986 [1,1,0,0,0,0|1,0,0]=3 8686 B11R1.81 CNCc1ccc(cc1C)F 34a_100102657272_100000700533 [1,1,0,0,0,0|1,0,0]=3 8687 B11R1.81 CNCc1ccc(cc1C)F 34a_100137329023_200000210301 [1,1,0,0,0,0|1,0,0]=3 8688 B11R1.81 CNCc1ccc(cc1C)F 7a_106832991635_100000700533 [1,1,0,0,0,0|1,0,0]=3 8689 B11R1.81 CNCc1ccc(cc1Cl)Br 207a_100102657272_100000764164 [1,1,0,0,0,0|0,0,0]=2 8690 B11R1.81 CNCc1ccc(cc1Cl)Br 2230a_106832991635_100011740631 [1,1,0,0,0,0|0,0,0]=2 8691 B11R1.81 CNCc1ccc(cc1Cl)Br 26a_100102657272_100000186472 [1,1,0,0,0,0|0,0,0]=2 8692 B11R1.81 CNCc1ccc(cc1Cl)Br 270004a_106832991635_100000764164 [1,1,0,0,0,0|0,0,0]=2 8693 B11R1.81 CNCc1ccc(cc1Cl)Br 34a_100020628970_200000210301 [1,1,0,0,0,0|0,0,0]=2 8694 B11R1.81 CNCc1ccc(cc1Cl)Br 34a_100102657272_100011740631 [1,1,0,0,0,0|0,0,0]=2 8695 B11R1.81 CNCc1ccc(cc1Cl)Br 7a_106832991635_100011740631 [1,1,0,0,0,0|0,0,0]=2 8696 B11R1.81 CNCc1ccc(cc1Cl)C 207a_100102657272_100011935181 [1,1,0,0,0,0|0,0,0]=2 8697 B11R1.81 CNCc1ccc(cc1Cl)C 2230a_106832991635_100012349684 [1,1,0,0,0,0|0,0,0]=2 8698 B11R1.81 CNCc1ccc(cc1Cl)C 26a_100102657272_100000749699 [1,1,0,0,0,0|0,0,0]=2 8699 B11R1.81 CNCc1ccc(cc1Cl)C 270004a_106832991635_100011935181 [1,1,0,0,0,0|0,0,0]=2 8700 B11R1.81 CNCc1ccc(cc1Cl)C 34a_100011997539_200000210301 [1,1,0,0,0,0|0,0,0]=2 8701 B11R1.81 CNCc1ccc(cc1Cl)C 34a_100102657272_100012349684 [1,1,0,0,0,0|0,0,0]=2 8702 B11R1.81 CNCc1ccc(cc1Cl)C 7a_106832991635_100012349684 [1,1,0,0,0,0|0,0,0]=2 8703 B11R1.81 CNCc1ccc(cc1Cl)Cl 207a_100102657272_100000188887 [1,1,0,0,0,0|0,0,0]=2 8704 B11R1.81 CNCc1ccc(cc1Cl)Cl 2230a_106832991635_100000188473 [1,1,0,0,0,0|0,0,0]=2 8705 B11R1.81 CNCc1ccc(cc1Cl)Cl 26a_100102657272_100015191787 [1,1,0,0,0,0|0,0,0]=2 8706 B11R1.81 CNCc1ccc(cc1Cl)Cl 270004a_106832991635_100000188887 [1,1,0,0,0,0|0,0,0]=2 8707 B11R1.81 CNCc1ccc(cc1Cl)Cl 34a_100000174880_200000210301 [1,1,0,0,0,0|0,0,0]=2 8708 B11R1.81 CNCc1ccc(cc1Cl)Cl 34a_100102657272_100000188473 [1,1,0,0,0,0|0,0,0]=2 8709 B11R1.81 CNCc1ccc(cc1Cl)Cl 7a_106832991635_100000188473 [1,1,0,0,0,0|0,0,0]=2 8710 B11R1.81 CNCc1ccc(cc1Cl)F 207a_100102657272_100000752949 [1,1,0,0,0,0|0,0,0]=2 8711 B11R1.81 CNCc1ccc(cc1Cl)F 2230a_106832991635_100011216360 [1,1,0,0,0,0|0,0,0]=2 8712 B11R1.81 CNCc1ccc(cc1Cl)F 26a_100102657272_100000212004 [1,1,0,0,0,0|0,0,0]=2 8713 B11R1.81 CNCc1ccc(cc1Cl)F 270004a_106832991635_100000752949 [1,1,0,0,0,0|0,0,0]=2 8714 B11R1.81 CNCc1ccc(cc1Cl)F 34a_100000174946_200000210301 [1,1,0,0,0,0|0,0,0]=2 8715 B11R1.81 CNCc1ccc(cc1Cl)F 34a_100102657272_100011216360 [1,1,0,0,0,0|0,0,0]=2 8716 B11R1.81 CNCc1ccc(cc1Cl)F 7a_106832991635_100011216360 [1,1,0,0,0,0|0,0,0]=2 8717 B11R1.81 CNCc1ccc(cc1Cl)I 207a_100102657272_100000727542 [1,1,0,0,0,0|0,0,0]=2 8718 B11R1.81 CNCc1ccc(cc1Cl)O 34a_200161156549_200000210301 [1,1,0,0,0,0|0,0,0]=2 8719 B11R1.81 CNCc1ccc(cc1F)Br 207a_100102657272_100000211676 [1,1,0,0,0,0|0,1,0]=3 8720 B11R1.81 CNCc1ccc(cc1F)Br 2230a_106832991635_100000211606 [1,1,0,0,0,0|0,1,0]=3 8721 B11R1.81 CNCc1ccc(cc1F)Br 26a_100102657272_100000185481 [1,1,0,0,0,0|0,1,0]=3 8722 B11R1.81 CNCc1ccc(cc1F)Br 270004a_106832991635_100000211676 [1,1,0,0,0,0|0,1,0]=3 8723 B11R1.81 CNCc1ccc(cc1F)Br 34a_100000754580_200000210301 [1,1,0,0,0,0|0,1,0]=3 8724 B11R1.81 CNCc1ccc(cc1F)Br 34a_100102657272_100000211606 [1,1,0,0,0,0|0,1,0]=3 8725 B11R1.81 CNCc1ccc(cc1F)Br 7a_106832991635_100000211606 [1,1,0,0,0,0|0,1,0]=3 8726 B11R1.81 CNCc1ccc(cc1F)C 207a_100102657272_100011217368 [1,1,0,0,0,0|0,1,0]=3 8727 B11R1.81 CNCc1ccc(cc1F)C 2230a_106832991635_100011217900 [1,1,0,0,0,0|0,1,0]=3 8728 B11R1.81 CNCc1ccc(cc1F)C 270004a_106832991635_100011217368 [1,1,0,0,0,0|0,1,0]=3 8729 B11R1.81 CNCc1ccc(cc1F)C 34a_100102657272_100012002367 [1,1,0,0,0,0|0,1,0]=3 8730 B11R1.81 CNCc1ccc(cc1F)C 34a_100102887089_200000210301 [1,1,0,0,0,0|0,1,0]=3 8731 B11R1.81 CNCc1ccc(cc1F)C 7a_106832991635_100012002367 [1,1,0,0,0,0|0,1,0]=3 8732 B11R1.81 CNCc1ccc(cc1F)Cl 207a_100102657272_100000697372 [1,1,0,0,0,0|0,1,0]=3 8733 B11R1.81 CNCc1ccc(cc1F)Cl 2230a_106832991635_100000709361 [1,1,0,0,0,0|0,1,0]=3 8734 B11R1.81 CNCc1ccc(cc1F)Cl 270004a_106832991635_100000697372 [1,1,0,0,0,0|0,1,0]=3 8735 B11R1.81 CNCc1ccc(cc1F)Cl 34a_100000708496_200000210301 [1,1,0,0,0,0|0,1,0]=3 8736 B11R1.81 CNCc1ccc(cc1F)Cl 34a_100102657272_100000709361 [1,1,0,0,0,0|0,1,0]=3 8737 B11R1.81 CNCc1ccc(cc1F)Cl 7a_106832991635_100000709361 [1,1,0,0,0,0|0,1,0]=3 8738 B11R1.81 CNCc1ccc(cc1F)F 207a_100102657272_100000211964 [1,1,0,0,0,0|0,1,0]=3 8739 B11R1.81 CNCc1ccc(cc1F)F 2230a_106832991635_100000748237 [1,1,0,0,0,0|0,1,0]=3 8740 B11R1.81 CNCc1ccc(cc1F)F 270004a_106832991635_100000211964 [1,1,0,0,0,0|0,1,0]=3 8741 B11R1.81 CNCc1ccc(cc1F)F 34a_100000737868_200000210301 [1,1,0,0,0,0|0,1,0]=3 8742 B11R1.81 CNCc1ccc(cc1F)F 34a_100102657272_100000748237 [1,1,0,0,0,0|0,1,0]=3 8743 B11R1.81 CNCc1ccc(cc1F)F 7a_106832991635_100000748237 [1,1,0,0,0,0|0,1,0]=3 8744 B11R1.81 CNCc1ccc(cc1F)I 207a_100102657272_100000050965 [1,1,0,0,0,0|0,1,0]=3 8745 B11R1.81 CNCc1ccc(cc1F)I 2230a_106832991635_100010244991 [1,1,0,0,0,0|0,1,0]=3 8746 B11R1.81 CNCc1ccc(cc1F)I 34a_100102657272_100010244991 [1,1,0,0,0,0|0,1,0]=3 8747 B11R1.81 CNCc1ccc(cc1F)I 7a_106832991635_100010244991 [1,1,0,0,0,0|0,1,0]=3 8748 B11R1.81 CNCc1ccc(cc1I)Br 207a_100102657272_100010146562 [1,1,0,0,0,0|0,1,0]=3 8749 B11R1.81 CNCc1ccc(cc1I)Br 2230a_106832991635_100010146615 [1,1,0,0,0,0|0,1,0]=3 8750 B11R1.81 CNCc1ccc(cc1I)Br 26a_100102657272_100012355227 [1,1,0,0,0,0|0,1,0]=3 8751 B11R1.81 CNCc1ccc(cc1I)Br 270004a_106832991635_100010146562 [1,1,0,0,0,0|0,1,0]=3 8752 B11R1.81 CNCc1ccc(cc1I)Br 34a_100102657272_100010146615 [1,1,0,0,0,0|0,1,0]=3 8753 B11R1.81 CNCc1ccc(cc1I)Br 7a_106832991635_100010146615 [1,1,0,0,0,0|0,1,0]=3 8754 B11R1.81 CNCc1ccc(cc1I)C 207a_100102657272_100010150104 [1,1,0,0,0,0|0,1,0]=3 8755 B11R1.81 CNCc1ccc(cc1I)C 270004a_106832991635_100010150104 [1,1,0,0,0,0|0,1,0]=3 8756 B11R1.81 CNCc1ccc(cc1I)Cl 2230a_106832991635_100010254388 [1,1,0,0,0,0|0,1,0]=3 8757 B11R1.81 CNCc1ccc(cc1I)Cl 34a_100102657272_100010254388 [1,1,0,0,0,0|0,1,0]=3 8758 B11R1.81 CNCc1ccc(cc1I)Cl 7a_106832991635_100010254388 [1,1,0,0,0,0|0,1,0]=3 8759 B11R1.81 CNCc1ccc(cc1I)F 207a_100102657272_100010254405 [1,1,0,0,0,0|0,1,0]=3 8760 B11R1.81 CNCc1ccc(cc1I)F 2230a_106832991635_100012354799 [1,1,0,0,0,0|0,1,0]=3 8761 B11R1.81 CNCc1ccc(cc1I)F 34a_100102657272_100012354799 [1,1,0,0,0,0|0,1,0]=3 8762 B11R1.81 CNCc1ccc(cc1I)F 7a_106832991635_100012354799 [1,1,0,0,0,0|0,1,0]=3 8763 B11R1.81 CNCc1ccc(cc1O)F 271570a_203496583355_200011192132 [1,1,0,0,0,0|1,0,0]=3 8764 B11R1.81 CNCc1ccc(nc1Br)C 2230a_106832991635_200010064658 [1,1,0,0,0,0|1,1,0]=4 8765 B11R1.81 CNCc1ccc(nc1Br)C 34a_100102657272_200010064658 [1,1,0,0,0,0|1,1,0]=4 8766 B11R1.81 CNCc1ccc(nc1Br)C 7a_106832991635_200010064658 [1,1,0,0,0,0|1,1,0]=4 8767 B11R1.81 CNCc1ccc(nc1C)C 207a_100102657272_100011794427 [1,1,0,0,0,0|2,0,0]=4 8768 B11R1.81 CNCc1ccc(nc1C)C 270004a_106832991635_100011794427 [1,1,0,0,0,0|2,0,0]=4 8769 B11R1.81 CNCc1ccc(nc1Cl)Cl 2230a_106832991635_100000722033 [1,1,0,0,0,0|1,0,0]=3 8770 B11R1.81 CNCc1ccc(nc1Cl)Cl 34a_100102657272_100000722033 [1,1,0,0,0,0|1,0,0]=3 8771 B11R1.81 CNCc1ccc(nc1Cl)Cl 7a_106832991635_100000722033 [1,1,0,0,0,0|1,0,0]=3 8772 B11R1.81 CNCc1cnc(cc1Br)Cl 270004a_106832991635_100009892795 [1,1,0,0,0,0|1,1,0]=4 8773 B11R1.81 CNCc1cnc(cc1C)C 207a_100102657272_200009869383 [1,1,0,0,0,0|2,0,0]=4 8774 B11R1.81 CNCc1cnc(cc1C)C 270004a_106832991635_200009869383 [1,1,0,0,0,0|2,0,0]=4 8775 B11R1.81 CNCc1cnc(cc1C)F 2230a_106832991635_100010382440 [1,1,0,0,0,0|2,0,0]=4 8776 B11R1.81 CNCc1cnc(cc1C)F 34a_100102657272_100010382440 [1,1,0,0,0,0|2,0,0]=4 8777 B11R1.81 CNCc1cnc(cc1C)F 7a_106832991635_100010382440 [1,1,0,0,0,0|2,0,0]=4 8778 B11R1.81 CNCc1cnc(cc1Cl)Cl 2230a_106832991635_100011997056 [1,1,0,0,0,0|1,0,0]=3 8779 B11R1.81 CNCc1cnc(cc1Cl)Cl 34a_100102657272_100011997056 [1,1,0,0,0,0|1,0,0]=3 8780 B11R1.81 CNCc1cnc(cc1Cl)Cl 7a_106832991635_100011997056 [1,1,0,0,0,0|1,0,0]=3 8781 B11R1.81 CNCc1cnc(nc1Cl)Cl 2230a_106832991635_100000071240 [1,1,0,0,0,0|2,0,0]=4 8782 B11R1.81 CNCc1cnc(nc1Cl)Cl 34a_100102657272_100000071240 [1,1,0,0,0,0|2,0,0]=4 8783 B11R1.81 CNCc1cnc(nc1Cl)Cl 7a_106832991635_100010163647 [1,1,0,0,0,0|2,0,0]=4 8784 B11R1.81 CNCc1ncc(cc1Br)Br 207a_100102657272_100000688198 [1,1,0,0,0,0|1,1,0]=4 8785 B11R1.81 CNCc1ncc(cc1Br)Br 270004a_106832991635_100000688198 [1,1,0,0,0,0|1,1,0]=4 8786 B11R1.81 CNCc1ncc(cc1Br)Cl 207a_100102657272_100010064872 [1,1,0,0,0,0|1,1,0]=4 8787 B11R1.81 CNCc1ncc(cc1Br)Cl 270004a_106832991635_100010064872 [1,1,0,0,0,0|1,1,0]=4 8788 B11R1.81 CNCc1ncc(cc1C)Br 207a_100102657272_100010185443 [1,1,0,0,0,0|2,0,0]=4 8789 B11R1.81 CNCc1ncc(cc1C)Br 270004a_106832991635_100010185443 [1,1,0,0,0,0|2,0,0]=4 8790 B11R1.81 CNCc1ncc(cc1C)C 2230a_106832991635_100016990036 [1,1,0,0,0,0|2,0,0]=4 8791 B11R1.81 CNCc1ncc(cc1C)C 34a_100102657272_100016990036 [1,1,0,0,0,0|2,0,0]=4 8792 B11R1.81 CNCc1ncc(cc1C)C 7a_106832991635_100016990036 [1,1,0,0,0,0|2,0,0]=4 8793 B11R1.81 CNCc1ncc(cc1C)Cl 207a_100102657272_200009887756 [1,1,0,0,0,0|2,0,0]=4 8794 B11R1.81 CNCc1ncc(cc1C)Cl 270004a_106832991635_200009887756 [1,1,0,0,0,0|2,0,0]=4 8795 B11R1.81 CNCc1ncc(cc1Cl)Br 207a_100102657272_100009814801 [1,1,0,0,0,0|1,0,0]=3 8796 B11R1.81 CNCc1ncc(cc1Cl)Br 270004a_106832991635_100009814801 [1,1,0,0,0,0|1,0,0]=3 8797 B11R1.81 CNCc1ncc(cc1Cl)Br 34a_100025703182_200000210301 [1,1,0,0,0,0|1,0,0]=3 8798 B11R1.81 CNCc1ncc(cc1Cl)Cl 207a_100102657272_100011361609 [1,1,0,0,0,0|1,0,0]=3 8799 B11R1.81 CNCc1ncc(cc1Cl)Cl 270004a_106832991635_100011361609 [1,1,0,0,0,0|1,0,0]=3 8800 B11R1.81 CNCc1ncc(cc1Cl)F 34a_100020639648_200000210301 [1,1,0,0,0,0|1,0,0]=3 8801 B11R1.81 CNCc1ncc(cc1F)Br 207a_100102657272_100010180630 [1,1,0,0,0,0|1,1,0]=4 8802 B11R1.81 CNCc1ncc(cc1F)Br 270004a_106832991635_100010180630 [1,1,0,0,0,0|1,1,0]=4 8803 B11R1.81 CNCc1ncc(cc1F)Br 34a_100015188786_200000210301 [1,1,0,0,0,0|1,1,0]=4 8804 B11R1.81 CNCc1ncc(cc1F)C 207a_100102657272_100009845184 [1,1,0,0,0,0|1,1,0]=4 8805 B11R1.81 CNCc1ncc(cc1F)C 270004a_106832991635_100009845184 [1,1,0,0,0,0|1,1,0]=4 8806 B11R1.81 CNCc1ncc(cc1F)Cl 207a_100102657272_100009858488 [1,1,0,0,0,0|1,1,0]=4 8807 B11R1.81 CNCc1ncc(cc1F)Cl 2230a_106832991635_200009879301 [1,1,0,0,0,0|1,1,0]=4 8808 B11R1.81 CNCc1ncc(cc1F)Cl 270004a_106832991635_100009858488 [1,1,0,0,0,0|1,1,0]=4 8809 B11R1.81 CNCc1ncc(cc1F)Cl 34a_100102657272_200009879301 [1,1,0,0,0,0|1,1,0]=4 8810 B11R1.81 CNCc1ncc(cc1F)Cl 7a_106832991635_200009879301 [1,1,0,0,0,0|1,1,0]=4 8811 B11R1.81 CNCc1ncc(cc1F)F 34a_100015188779_200000210301 [1,1,0,0,0,0|1,1,0]=4 8812 B11R1.81 CNCc1ncc(nc1Cl)Cl 2230a_100020639390_200000210301 [1,1,0,0,0,0|2,0,0]=4 8813 B11R1.81 COCc1ccc(cc1Br)Br 34a_100012357508_200000210301 [1,1,0,0,0,0|1,1,0]=4 8814 B11R1.81 COCc1ccc(cc1Br)Br 34a_100138415774_200012351560 [1,1,0,0,0,0|1,1,0]=4 8815 B11R1.81 COCc1ccc(cc1Br)Br 7a_100012357508_200000210301 [1,1,0,0,0,0|1,1,0]=4 8816 B11R1.81 COCc1ccc(cc1Br)Cl 34a_100000707881_200000210301 [1,1,0,0,0,0|1,1,0]=4 8817 B11R1.81 COCc1ccc(cc1Br)Cl 34a_100138415774_100000755608 [1,1,0,0,0,0|1,1,0]=4 8818 B11R1.81 COCc1ccc(cc1Br)Cl 7a_100000707881_200000210301 [1,1,0,0,0,0|1,1,0]=4 8819 B11R1.81 COCc1ccc(cc1Br)F 34a_100000744086_200000210301 [1,1,0,0,0,0|1,1,0]=4 8820 B11R1.81 COCc1ccc(cc1Br)F 34a_100138415774_100000243222 [1,1,0,0,0,0|1,1,0]=4 8821 B11R1.81 COCc1ccc(cc1Br)F 7a_100000744086_200000210301 [1,1,0,0,0,0|1,1,0]=4 8822 B11R1.81 COCc1ccc(cc1Br)I 34a_100138415774_100010146610 [1,1,0,0,0,0|1,1,0]=4 8823 B11R1.81 COCc1ccc(cc1Br)I 7a_100010240206_200000210301 [1,1,0,0,0,0|1,1,0]=4 8824 B11R1.81 COCc1ccc(cc1C)Br 34a_100000748258_200000210301 [1,1,0,0,0,0|2,0,0]=4 8825 B11R1.81 COCc1ccc(cc1C)Br 34a_100138415774_100000708836 [1,1,0,0,0,0|2,0,0]=4 8826 B11R1.81 COCc1ccc(cc1C)Br 7a_100000748258_200000210301 [1,1,0,0,0,0|2,0,0]=4 8827 B11R1.81 COCc1ccc(cc1C)C 34a_100011215341_200000210301 [1,1,0,0,0,0|2,0,0]=4 8828 B11R1.81 COCc1ccc(cc1C)C 34a_100138415774_100011219618 [1,1,0,0,0,0|2,0,0]=4 8829 B11R1.81 COCc1ccc(cc1C)C 7a_100011215341_200000210301 [1,1,0,0,0,0|2,0,0]=4 8830 B11R1.81 COCc1ccc(cc1C)Cl 34a_100000702939_200000210301 [1,1,0,0,0,0|2,0,0]=4 8831 B11R1.81 COCc1ccc(cc1C)Cl 34a_100138415774_100012361307 [1,1,0,0,0,0|2,0,0]=4 8832 B11R1.81 COCc1ccc(cc1C)Cl 7a_100000702939_200000210301 [1,1,0,0,0,0|2,0,0]=4 8833 B11R1.81 COCc1ccc(cc1C)F 34a_100000700136_200000210301 [1,1,0,0,0,0|2,0,0]=4 8834 B11R1.81 COCc1ccc(cc1C)F 34a_100138415774_100000700533 [1,1,0,0,0,0|2,0,0]=4 8835 B11R1.81 COCc1ccc(cc1C)F 7a_100000700136_200000210301 [1,1,0,0,0,0|2,0,0]=4 8836 B11R1.81 COCc1ccc(cc1C)N 34a_100000102464_200000210301 [1,1,0,0,0,0|2,0,0]=4 8837 B11R1.81 COCc1ccc(cc1C)N 7a_100000102464_200000210301 [1,1,0,0,0,0|2,0,0]=4 8838 B11R1.81 COCc1ccc(cc1Cl)Br 34a_100000756401_200000210301 [1,1,0,0,0,0|1,0,0]=3 8839 B11R1.81 COCc1ccc(cc1Cl)Br 34a_100138415774_100011740631 [1,1,0,0,0,0|1,0,0]=3 8840 B11R1.81 COCc1ccc(cc1Cl)Br 7a_100000756401_200000210301 [1,1,0,0,0,0|1,0,0]=3 8841 B11R1.81 COCc1ccc(cc1Cl)C 34a_100000720314_200000210301 [1,1,0,0,0,0|1,0,0]=3 8842 B11R1.81 COCc1ccc(cc1Cl)C 34a_100138415774_100012349684 [1,1,0,0,0,0|1,0,0]=3 8843 B11R1.81 COCc1ccc(cc1Cl)C 7a_100000720314_200000210301 [1,1,0,0,0,0|1,0,0]=3 8844 B11R1.81 COCc1ccc(cc1Cl)Cl 34a_100000215721_200000210301 [1,1,0,0,0,0|1,0,0]=3 8845 B11R1.81 COCc1ccc(cc1Cl)Cl 34a_100138415774_100000188473 [1,1,0,0,0,0|1,0,0]=3 8846 B11R1.81 COCc1ccc(cc1Cl)Cl 7a_100000215721_200000210301 [1,1,0,0,0,0|1,0,0]=3 8847 B11R1.81 COCc1ccc(cc1Cl)F 34a_100011219954_200000210301 [1,1,0,0,0,0|1,0,0]=3 8848 B11R1.81 COCc1ccc(cc1Cl)F 34a_100138415774_100011216360 [1,1,0,0,0,0|1,0,0]=3 8849 B11R1.81 COCc1ccc(cc1Cl)F 7a_100011219954_200000210301 [1,1,0,0,0,0|1,0,0]=3 8850 B11R1.81 COCc1ccc(cc1Cl)N 34a_100000689119_200000210301 [1,1,0,0,0,0|1,0,0]=3 8851 B11R1.81 COCc1ccc(cc1F)Br 34a_100011191541_200000210301 [1,1,0,0,0,0|1,1,0]=4 8852 B11R1.81 COCc1ccc(cc1F)Br 34a_100138415774_100000211606 [1,1,0,0,0,0|1,1,0]=4 8853 B11R1.81 COCc1ccc(cc1F)Br 7a_100011191541_200000210301 [1,1,0,0,0,0|1,1,0]=4 8854 B11R1.81 COCc1ccc(cc1F)C 34a_100011216587_200000210301 [1,1,0,0,0,0|1,1,0]=4 8855 B11R1.81 COCc1ccc(cc1F)C 34a_100138415774_100012002367 [1,1,0,0,0,0|1,1,0]=4 8856 B11R1.81 COCc1ccc(cc1F)C 7a_100011216587_200000210301 [1,1,0,0,0,0|1,1,0]=4 8857 B11R1.81 COCc1ccc(cc1F)Cl 34a_100011217562_200000210301 [1,1,0,0,0,0|1,1,0]=4 8858 B11R1.81 COCc1ccc(cc1F)Cl 34a_100138415774_100000709361 [1,1,0,0,0,0|1,1,0]=4 8859 B11R1.81 COCc1ccc(cc1F)Cl 7a_100011217562_200000210301 [1,1,0,0,0,0|1,1,0]=4 8860 B11R1.81 COCc1ccc(cc1F)F 34a_100011215441_200000210301 [1,1,0,0,0,0|1,1,0]=4 8861 B11R1.81 COCc1ccc(cc1F)F 34a_100138415774_100000748237 [1,1,0,0,0,0|1,1,0]=4 8862 B11R1.81 COCc1ccc(cc1F)F 7a_100011215441_200000210301 [1,1,0,0,0,0|1,1,0]=4 8863 B11R1.81 COCc1ccc(cc1F)I 34a_100138415774_100010244991 [1,1,0,0,0,0|1,1,0]=4 8864 B11R1.81 COCc1ccc(cc1F)I 34a_200010202041_200000210301 [1,1,0,0,0,0|1,1,0]=4 8865 B11R1.81 COCc1ccc(cc1F)I 7a_200010202041_200000210301 [1,1,0,0,0,0|1,1,0]=4 8866 B11R1.81 COCc1ccc(cc1I)Br 34a_100138415774_100010146615 [1,1,0,0,0,0|1,1,0]=4 8867 B11R1.81 COCc1ccc(cc1I)Br 7a_100010146605_200000210301 [1,1,0,0,0,0|1,1,0]=4 8868 B11R1.81 COCc1ccc(cc1I)Cl 34a_100000722340_200000210301 [1,1,0,0,0,0|1,1,0]=4 8869 B11R1.81 COCc1ccc(cc1I)Cl 34a_100138415774_100010254388 [1,1,0,0,0,0|1,1,0]=4 8870 B11R1.81 COCc1ccc(cc1I)Cl 7a_100000722340_200000210301 [1,1,0,0,0,0|1,1,0]=4 8871 B11R1.81 COCc1ccc(cc1I)F 34a_100011356828_200000210301 [1,1,0,0,0,0|1,1,0]=4 8872 B11R1.81 COCc1ccc(cc1I)F 34a_100138415774_100012354799 [1,1,0,0,0,0|1,1,0]=4 8873 B11R1.81 COCc1ccc(cc1I)F 7a_100011356828_200000210301 [1,1,0,0,0,0|1,1,0]=4 8874 B11R1.81 COCc1ccc(cc1N)Br 34a_100000718831_200000210301 [1,1,0,0,0,0|2,0,0]=4 8875 B11R1.81 COCc1ccc(cc1N)Br 7a_100000718831_200000210301 [1,1,0,0,0,0|2,0,0]=4 8876 B11R1.81 COCc1ccc(cc1N)C 34a_100000087799_200000210301 [1,1,0,0,0,0|2,0,0]=4 8877 B11R1.81 COCc1ccc(cc1N)C 7a_100000087799_200000210301 [1,1,0,0,0,0|2,0,0]=4 8878 B11R1.81 COCc1ccc(cc1N)Cl 34a_100000238622_200000210301 [1,1,0,0,0,0|2,0,0]=4 8879 B11R1.81 COCc1ccc(cc1N)Cl 7a_100000238622_200000210301 [1,1,0,0,0,0|2,0,0]=4 8880 B11R1.81 COCc1ccc(cc1N)F 34a_100011996588_200000210301 [1,1,0,0,0,0|2,0,0]=4 8881 B11R1.81 COCc1ccc(cc1N)O 271570a_203496583355_100013084866 [1,1,0,0,0,0|2,0,0]=4 8882 B11R1.81 COCc1ccc(nc1Cl)C 34a_102495338573_200000210301 [1,1,0,0,0,0|2,0,0]=4 8883 B11R1.81 COCc1ccc(nc1Cl)C 7a_102495338573_200000210301 [1,1,0,0,0,0|2,0,0]=4 8884 B11R1.81 COCc1ccc(nc1Cl)Cl 34a_100000720492_200000210301 [1,1,0,0,0,0|2,0,0]=4 8885 B11R1.81 COCc1ccc(nc1Cl)Cl 34a_100138415774_100000722033 [1,1,0,0,0,0|2,0,0]=4 8886 B11R1.81 COCc1ccc(nc1Cl)Cl 7a_100000720492_200000210301 [1,1,0,0,0,0|2,0,0]=4 8887 B11R1.81 COCc1cnc(cc1Cl)Cl 34a_100000702863_200000210301 [1,1,0,0,0,0|2,0,0]=4 8888 B11R1.81 COCc1cnc(cc1Cl)Cl 34a_100138415774_100011997056 [1,1,0,0,0,0|2,0,0]=4 8889 B11R1.81 COCc1cnc(cc1Cl)Cl 7a_100000702863_200000210301 [1,1,0,0,0,0|2,0,0]=4 8890 B11R1.81 COCc1ncc(cc1Cl)Br 34a_100010065239_200000210301 [1,1,0,0,0,0|2,0,0]=4 8891 B11R1.81 COCc1ncc(cc1Cl)Br 7a_100010065239_200000210301 [1,1,0,0,0,0|2,0,0]=4 8892 B11R1.81 COCc1ncc(cc1Cl)Cl 34a_100103146734_200000210301 [1,1,0,0,0,0|2,0,0]=4 8893 B11R1.81 COCc1ncc(cc1Cl)Cl 7a_100103146734_200000210301 [1,1,0,0,0,0|2,0,0]=4 8894 B11R1.81 CSCc1ccc(cc1Br)Br 62a_200000210301_200012351560 [1,1,0,0,0,0|1,1,0]=4 8895 B11R1.81 CSCc1ccc(cc1Br)Br 62a_200012351560_200000210301 [1,1,0,0,0,0|1,1,0]=4 8896 B11R1.81 CSCc1ccc(cc1Br)Cl 62a_100000755608_200000210301 [1,1,0,0,0,0|1,1,0]=4 8897 B11R1.81 CSCc1ccc(cc1Br)Cl 62a_200000210301_100000755608 [1,1,0,0,0,0|1,1,0]=4 8898 B11R1.81 CSCc1ccc(cc1Br)F 62a_100000243222_200000210301 [1,1,0,0,0,0|1,1,0]=4 8899 B11R1.81 CSCc1ccc(cc1Br)F 62a_200000210301_100000243222 [1,1,0,0,0,0|1,1,0]=4 8900 B11R1.81 CSCc1ccc(cc1Br)I 62a_100010146610_200000210301 [1,1,0,0,0,0|1,1,0]=4 8901 B11R1.81 CSCc1ccc(cc1Br)I 62a_200000210301_100010146610 [1,1,0,0,0,0|1,1,0]=4 8902 B11R1.81 CSCc1ccc(cc1C)Br 62a_100000708836_200000210301 [1,1,0,0,0,0|2,0,0]=4 8903 B11R1.81 CSCc1ccc(cc1C)Br 62a_200000210301_100000708836 [1,1,0,0,0,0|2,0,0]=4 8904 B11R1.81 CSCc1ccc(cc1C)C 62a_100011219618_200000210301 [1,1,0,0,0,0|2,0,0]=4 8905 B11R1.81 CSCc1ccc(cc1C)C 62a_200000210301_100011219618 [1,1,0,0,0,0|2,0,0]=4 8906 B11R1.81 CSCc1ccc(cc1C)Cl 62a_100012361307_200000210301 [1,1,0,0,0,0|2,0,0]=4 8907 B11R1.81 CSCc1ccc(cc1C)Cl 62a_200000210301_100012361307 [1,1,0,0,0,0|2,0,0]=4 8908 B11R1.81 CSCc1ccc(cc1C)F 62a_100000700533_200000210301 [1,1,0,0,0,0|2,0,0]=4 8909 B11R1.81 CSCc1ccc(cc1C)F 62a_200000210301_100000700533 [1,1,0,0,0,0|2,0,0]=4 8910 B11R1.81 CSCc1ccc(cc1Cl)Br 62a_100011740631_200000210301 [1,1,0,0,0,0|1,0,0]=3 8911 B11R1.81 CSCc1ccc(cc1Cl)Br 62a_200000210301_100011740631 [1,1,0,0,0,0|1,0,0]=3 8912 B11R1.81 CSCc1ccc(cc1Cl)C 62a_100012349684_200000210301 [1,1,0,0,0,0|1,0,0]=3 8913 B11R1.81 CSCc1ccc(cc1Cl)C 62a_200000210301_100012349684 [1,1,0,0,0,0|1,0,0]=3 8914 B11R1.81 CSCc1ccc(cc1Cl)Cl 62a_100000188473_200000210301 [1,1,0,0,0,0|1,0,0]=3 8915 B11R1.81 CSCc1ccc(cc1Cl)Cl 62a_200000210301_100000188473 [1,1,0,0,0,0|1,0,0]=3 8916 B11R1.81 CSCc1ccc(cc1Cl)F 62a_100000187853_200000210301 [1,1,0,0,0,0|1,0,0]=3 8917 B11R1.81 CSCc1ccc(cc1Cl)F 62a_200000210301_100000187853 [1,1,0,0,0,0|1,0,0]=3 8918 B11R1.81 CSCc1ccc(cc1F)Br 62a_100000211606_200000210301 [1,1,0,0,0,0|1,1,0]=4 8919 B11R1.81 CSCc1ccc(cc1F)Br 62a_200000210301_100000211606 [1,1,0,0,0,0|1,1,0]=4 8920 B11R1.81 CSCc1ccc(cc1F)C 62a_100011217900_200000210301 [1,1,0,0,0,0|1,1,0]=4 8921 B11R1.81 CSCc1ccc(cc1F)C 62a_200000210301_100011217900 [1,1,0,0,0,0|1,1,0]=4 8922 B11R1.81 CSCc1ccc(cc1F)Cl 62a_100000709361_200000210301 [1,1,0,0,0,0|1,1,0]=4 8923 B11R1.81 CSCc1ccc(cc1F)Cl 62a_200000210301_100000709361 [1,1,0,0,0,0|1,1,0]=4 8924 B11R1.81 CSCc1ccc(cc1F)F 62a_100000748237_200000210301 [1,1,0,0,0,0|1,1,0]=4 8925 B11R1.81 CSCc1ccc(cc1F)F 62a_200000210301_100000748237 [1,1,0,0,0,0|1,1,0]=4 8926 B11R1.81 CSCc1ccc(cc1F)I 62a_100010244991_200000210301 [1,1,0,0,0,0|1,1,0]=4 8927 B11R1.81 CSCc1ccc(cc1F)I 62a_200000210301_100010244991 [1,1,0,0,0,0|1,1,0]=4 8928 B11R1.81 CSCc1ccc(cc1I)Br 62a_100010146615_200000210301 [1,1,0,0,0,0|1,1,0]=4 8929 B11R1.81 CSCc1ccc(cc1I)Br 62a_200000210301_100010146615 [1,1,0,0,0,0|1,1,0]=4 8930 B11R1.81 CSCc1ccc(cc1I)Cl 62a_100010254388_200000210301 [1,1,0,0,0,0|1,1,0]=4 8931 B11R1.81 CSCc1ccc(cc1I)Cl 62a_200000210301_100010254388 [1,1,0,0,0,0|1,1,0]=4 8932 B11R1.81 CSCc1ccc(cc1I)F 62a_100012354799_200000210301 [1,1,0,0,0,0|1,1,0]=4 8933 B11R1.81 CSCc1ccc(cc1I)F 62a_200000210301_100012354799 [1,1,0,0,0,0|1,1,0]=4 8934 B11R1.81 CSCc1ccc(nc1Cl)Cl 62a_100000722033_200000210301 [1,1,0,0,0,0|2,0,0]=4 8935 B11R1.81 CSCc1ccc(nc1Cl)Cl 62a_200000210301_100000722033 [1,1,0,0,0,0|2,0,0]=4 8936 B11R1.81 CSCc1cnc(cc1Cl)Cl 62a_100011997056_200000210301 [1,1,0,0,0,0|2,0,0]=4 8937 B11R1.81 CSCc1cnc(cc1Cl)Cl 62a_200000210301_100011997056 [1,1,0,0,0,0|2,0,0]=4 8938 B11R1.81 Cc1cc(ccc1CN[13CH3])Br 34a_100000753881_200025704644 [1,1,0,0,0,0|1,0,0]=3 8939 B11R1.81 Cc1cc(ccc1CN[13CH3])Cl 34a_103436540063_200025704644 [1,1,0,0,0,0|1,0,0]=3 8940 B11R1.81 Cc1cc(ccc1CN[13CH3])F 34a_100137329023_200025704644 [1,1,0,0,0,0|1,0,0]=3 8941 B11R1.81 Cc1cc(ccc1CO[13CH3])Br 34a_100000748258_200025704644 [1,1,0,0,0,0|2,0,0]=4 8942 B11R1.81 Cc1cc(ccc1CO[13CH3])Br 7a_100000748258_200025704644 [1,1,0,0,0,0|2,0,0]=4 8943 B11R1.81 Cc1cc(ccc1CO[13CH3])Cl 34a_100000702939_200025704644 [1,1,0,0,0,0|2,0,0]=4 8944 B11R1.81 Cc1cc(ccc1CO[13CH3])Cl 7a_100000702939_200025704644 [1,1,0,0,0,0|2,0,0]=4 8945 B11R1.81 Cc1cc(ccc1CO[13CH3])F 34a_100000700136_200025704644 [1,1,0,0,0,0|2,0,0]=4 8946 B11R1.81 Cc1cc(ccc1CO[13CH3])F 7a_100000700136_200025704644 [1,1,0,0,0,0|2,0,0]=4 8947 B11R1.81 Cc1cc(ccc1CO[13CH3])N 34a_100000102464_200025704644 [1,1,0,0,0,0|2,0,0]=4 8948 B11R1.81 Cc1cc(ccc1CO[13CH3])N 7a_100000102464_200025704644 [1,1,0,0,0,0|2,0,0]=4 8949 B11R1.81 Cc1cc(ccc1CS[13CH3])Br 62a_100000708836_200025704644 [1,1,0,0,0,0|2,0,0]=4 8950 B11R1.81 Cc1cc(ccc1CS[13CH3])Br 62a_200025704644_100000708836 [1,1,0,0,0,0|2,0,0]=4 8951 B11R1.81 Cc1cc(ccc1CS[13CH3])Cl 62a_100012361307_200025704644 [1,1,0,0,0,0|2,0,0]=4 8952 B11R1.81 Cc1cc(ccc1CS[13CH3])Cl 62a_200025704644_100012361307 [1,1,0,0,0,0|2,0,0]=4 8953 B11R1.81 Cc1cc(ccc1CS[13CH3])F 62a_100000700533_200025704644 [1,1,0,0,0,0|2,0,0]=4 8954 B11R1.81 Cc1cc(ccc1CS[13CH3])F 62a_200025704644_100000700533 [1,1,0,0,0,0|2,0,0]=4 8955 B11R1.81 Cc1ccc(c(c1)C)CN[13CH3] 34a_100000737523_200025704644 [1,1,0,0,0,0|1,0,0]=3 8956 B11R1.81 Cc1ccc(c(c1)C)CO[13CH3] 34a_100011215341_200025704644 [1,1,0,0,0,0|2,0,0]=4 8957 B11R1.81 Cc1ccc(c(c1)C)CO[13CH3] 7a_100011215341_200025704644 [1,1,0,0,0,0|2,0,0]=4 8958 B11R1.81 Cc1ccc(c(c1)C)CS[13CH3] 62a_100011219618_200025704644 [1,1,0,0,0,0|2,0,0]=4 8959 B11R1.81 Cc1ccc(c(c1)C)CS[13CH3] 62a_200025704644_100011219618 [1,1,0,0,0,0|2,0,0]=4 8960 B11R1.81 Cc1ccc(c(c1)Cl)CN[13CH3] 34a_100011997539_200025704644 [1,1,0,0,0,0|0,0,0]=2 8961 B11R1.81 Cc1ccc(c(c1)Cl)CO[13CH3] 34a_100000720314_200025704644 [1,1,0,0,0,0|1,0,0]=3 8962 B11R1.81 Cc1ccc(c(c1)Cl)CO[13CH3] 7a_100000720314_200025704644 [1,1,0,0,0,0|1,0,0]=3 8963 B11R1.81 Cc1ccc(c(c1)Cl)CS[13CH3] 62a_100012349684_200025704644 [1,1,0,0,0,0|1,0,0]=3 8964 B11R1.81 Cc1ccc(c(c1)Cl)CS[13CH3] 62a_200025704644_100012349684 [1,1,0,0,0,0|1,0,0]=3 8965 B11R1.81 Cc1ccc(c(c1)Cl)NCF 34a_100000210522_100015361967 [1,1,0,0,0,0|2,0,0]=4 8966 B11R1.81 Cc1ccc(c(c1)Cl)OCF 34a_100000749699_100015361967 [1,1,0,0,0,0|2,0,0]=4 8967 B11R1.81 Cc1ccc(c(c1)Cl)OCF 7a_100000749699_100015361967 [1,1,0,0,0,0|2,0,0]=4 8968 B11R1.81 Cc1ccc(c(c1)Cl)SCF 62a_100011263221_100015361967 [1,1,0,0,0,0|2,0,0]=4 8969 B11R1.81 Cc1ccc(c(c1)Cl)SCF 62a_100015361967_100011263221 [1,1,0,0,0,0|2,0,0]=4 8970 B11R1.81 Cc1ccc(c(c1)F)CN[13CH3] 34a_100102887089_200025704644 [1,1,0,0,0,0|0,1,0]=3 8971 B11R1.81 Cc1ccc(c(c1)F)CO[13CH3] 34a_100011216587_200025704644 [1,1,0,0,0,0|1,1,0]=4 8972 B11R1.81 Cc1ccc(c(c1)F)CO[13CH3] 7a_100011216587_200025704644 [1,1,0,0,0,0|1,1,0]=4 8973 B11R1.81 Cc1ccc(c(c1)F)CS[13CH3] 62a_100011217900_200025704644 [1,1,0,0,0,0|1,1,0]=4 8974 B11R1.81 Cc1ccc(c(c1)F)CS[13CH3] 62a_200025704644_100011217900 [1,1,0,0,0,0|1,1,0]=4 8975 B11R1.81 Cc1ccc(c(c1)N)CO[13CH3] 34a_100000087799_200025704644 [1,1,0,0,0,0|2,0,0]=4 8976 B11R1.81 Cc1ccc(c(c1)N)CO[13CH3] 7a_100000087799_200025704644 [1,1,0,0,0,0|2,0,0]=4 8977 B11R1.81 Cc1ccc(c(n1)Cl)CO[13CH3] 34a_102495338573_200025704644 [1,1,0,0,0,0|2,0,0]=4 8978 B11R1.81 Cc1ccc(c(n1)Cl)CO[13CH3] 7a_102495338573_200025704644 [1,1,0,0,0,0|2,0,0]=4 8979 B11R1.81 FCNc1ccc(cc1Cl)Br 34a_100000211467_100015361967 [1,1,0,0,0,0|2,0,0]=4 8980 B11R1.81 FCNc1ccc(cc1Cl)Cl 34a_100000185861_100015361967 [1,1,0,0,0,0|2,0,0]=4 8981 B11R1.81 FCNc1ccc(cc1Cl)F 34a_100000212003_100015361967 [1,1,0,0,0,0|2,0,0]=4 8982 B11R1.81 FCNc1ccc(cc1Cl)I 34a_100011218065_100015361967 [1,1,0,0,0,0|2,0,0]=4 8983 B11R1.81 FCOc1ccc(cc1Cl)Br 34a_100000186472_100015361967 [1,1,0,0,0,0|2,0,0]=4 8984 B11R1.81 FCOc1ccc(cc1Cl)Br 7a_100000186472_100015361967 [1,1,0,0,0,0|2,0,0]=4 8985 B11R1.81 FCOc1ccc(cc1Cl)Cl 34a_100015191787_100015361967 [1,1,0,0,0,0|2,0,0]=4 8986 B11R1.81 FCOc1ccc(cc1Cl)Cl 7a_100015191787_100015361967 [1,1,0,0,0,0|2,0,0]=4 8987 B11R1.81 FCOc1ccc(cc1Cl)F 34a_100000212004_100015361967 [1,1,0,0,0,0|2,0,0]=4 8988 B11R1.81 FCOc1ccc(cc1Cl)F 7a_100000212004_100015361967 [1,1,0,0,0,0|2,0,0]=4 8989 B11R1.81 FCOc1ccc(cc1Cl)I 34a_100012360047_100015361967 [1,1,0,0,0,0|2,0,0]=4 8990 B11R1.81 FCOc1ccc(cc1Cl)I 7a_100012360047_100015361967 [1,1,0,0,0,0|2,0,0]=4 8991 B11R1.81 FCSc1ccc(cc1Cl)Br 62a_100011216062_100015361967 [1,1,0,0,0,0|2,0,0]=4 8992 B11R1.81 FCSc1ccc(cc1Cl)Br 62a_100015361967_100011216062 [1,1,0,0,0,0|2,0,0]=4 8993 B11R1.81 FCSc1ccc(cc1Cl)Cl 62a_100000699841_100015361967 [1,1,0,0,0,0|2,0,0]=4 8994 B11R1.81 FCSc1ccc(cc1Cl)Cl 62a_100015361967_100000699841 [1,1,0,0,0,0|2,0,0]=4 8995 B11R1.81 FCSc1ccc(cc1Cl)F 62a_100000733362_100015361967 [1,1,0,0,0,0|2,0,0]=4 8996 B11R1.81 FCSc1ccc(cc1Cl)F 62a_100015361967_100000733362 [1,1,0,0,0,0|2,0,0]=4 8997 B11R1.81 Nc1ccc(c(c1)Cl)OCF 34a_100000744943_100015361967 [1,1,0,0,0,0|2,0,0]=4 8998 B11R1.81 Nc1ccc(c(c1)Cl)OCF 7a_100000744943_100015361967 [1,1,0,0,0,0|2,0,0]=4 8999 B11R1.81 Nc1ccc(c(c1)Cl)SCF 62a_100000761885_100015361967 [1,1,0,0,0,0|2,0,0]=4 9000 B11R1.81 Nc1ccc(c(c1)Cl)SCF 62a_100015361967_100000761885 [1,1,0,0,0,0|2,0,0]=4 9001 B11R1.81 OCCc1ccc(cc1F)O 271570a_203496583355_100011962869 [1,1,0,0,0,0|1,1,0]=4 9002 B11R1.81 Oc1ccc(c(c1)Cl)NCF 34a_100011215599_100015361967 [1,1,0,0,0,0|2,0,0]=4 9003 B11R1.81 Oc1ccc(c(c1)Cl)SCF 62a_100000047559_100015361967 [1,1,0,0,0,0|2,0,0]=4 9004 B11R1.81 Oc1ccc(c(c1)Cl)SCF 62a_100015361967_100000047559 [1,1,0,0,0,0|2,0,0]=4 9005 B11R1.81 [13CH3]NCc1ccc(cc1Br)Cl 34a_100102692131_200025704644 [1,1,0,0,0,0|0,1,0]=3 9006 B11R1.81 [13CH3]NCc1ccc(cc1Br)F 34a_100000708791_200025704644 [1,1,0,0,0,0|0,1,0]=3 9007 B11R1.81 [13CH3]NCc1ccc(cc1Cl)Br 34a_100020628970_200025704644 [1,1,0,0,0,0|0,0,0]=2 9008 B11R1.81 [13CH3]NCc1ccc(cc1Cl)Cl 34a_100000174880_200025704644 [1,1,0,0,0,0|0,0,0]=2 9009 B11R1.81 [13CH3]NCc1ccc(cc1Cl)F 34a_100000174946_200025704644 [1,1,0,0,0,0|0,0,0]=2 9010 B11R1.81 [13CH3]NCc1ccc(cc1Cl)O 34a_200161156549_200025704644 [1,1,0,0,0,0|0,0,0]=2 9011 B11R1.81 [13CH3]NCc1ccc(cc1F)Br 34a_100000754580_200025704644 [1,1,0,0,0,0|0,1,0]=3 9012 B11R1.81 [13CH3]NCc1ccc(cc1F)Cl 34a_100000708496_200025704644 [1,1,0,0,0,0|0,1,0]=3 9013 B11R1.81 [13CH3]NCc1ccc(cc1F)F 34a_100000737868_200025704644 [1,1,0,0,0,0|0,1,0]=3 9014 B11R1.81 [13CH3]NCc1ncc(cc1Cl)Br 34a_100025703182_200025704644 [1,1,0,0,0,0|1,0,0]=3 9015 B11R1.81 [13CH3]NCc1ncc(cc1Cl)F 34a_100020639648_200025704644 [1,1,0,0,0,0|1,0,0]=3 9016 B11R1.81 [13CH3]NCc1ncc(cc1F)Br 34a_100015188786_200025704644 [1,1,0,0,0,0|1,1,0]=4 9017 B11R1.81 [13CH3]NCc1ncc(cc1F)F 34a_100015188779_200025704644 [1,1,0,0,0,0|1,1,0]=4 9018 B11R1.81 [13CH3]NCc1ncc(nc1Cl)Cl 2230a_100020639390_200025704644 [1,1,0,0,0,0|2,0,0]=4 9019 B11R1.81 [13CH3]OCc1ccc(cc1Br)Br 34a_100012357508_200025704644 [1,1,0,0,0,0|1,1,0]=4 9020 B11R1.81 [13CH3]OCc1ccc(cc1Br)Br 7a_100012357508_200025704644 [1,1,0,0,0,0|1,1,0]=4 9021 B11R1.81 [13CH3]OCc1ccc(cc1Br)Cl 34a_100000707881_200025704644 [1,1,0,0,0,0|1,1,0]=4 9022 B11R1.81 [13CH3]OCc1ccc(cc1Br)Cl 7a_100000707881_200025704644 [1,1,0,0,0,0|1,1,0]=4 9023 B11R1.81 [13CH3]OCc1ccc(cc1Br)F 34a_100000744086_200025704644 [1,1,0,0,0,0|1,1,0]=4 9024 B11R1.81 [13CH3]OCc1ccc(cc1Br)F 7a_100000744086_200025704644 [1,1,0,0,0,0|1,1,0]=4 9025 B11R1.81 [13CH3]OCc1ccc(cc1Br)I 7a_100010240206_200025704644 [1,1,0,0,0,0|1,1,0]=4 9026 B11R1.81 [13CH3]OCc1ccc(cc1Cl)Br 34a_100000756401_200025704644 [1,1,0,0,0,0|1,0,0]=3 9027 B11R1.81 [13CH3]OCc1ccc(cc1Cl)Br 7a_100000756401_200025704644 [1,1,0,0,0,0|1,0,0]=3 9028 B11R1.81 [13CH3]OCc1ccc(cc1Cl)Cl 34a_100000215721_200025704644 [1,1,0,0,0,0|1,0,0]=3 9029 B11R1.81 [13CH3]OCc1ccc(cc1Cl)Cl 7a_100000215721_200025704644 [1,1,0,0,0,0|1,0,0]=3 9030 B11R1.81 [13CH3]OCc1ccc(cc1Cl)F 34a_100011219954_200025704644 [1,1,0,0,0,0|1,0,0]=3 9031 B11R1.81 [13CH3]OCc1ccc(cc1Cl)F 7a_100011219954_200025704644 [1,1,0,0,0,0|1,0,0]=3 9032 B11R1.81 [13CH3]OCc1ccc(cc1Cl)N 34a_100000689119_200025704644 [1,1,0,0,0,0|1,0,0]=3 9033 B11R1.81 [13CH3]OCc1ccc(cc1F)Br 34a_100011191541_200025704644 [1,1,0,0,0,0|1,1,0]=4 9034 B11R1.81 [13CH3]OCc1ccc(cc1F)Br 7a_100011191541_200025704644 [1,1,0,0,0,0|1,1,0]=4 9035 B11R1.81 [13CH3]OCc1ccc(cc1F)Cl 34a_100011217562_200025704644 [1,1,0,0,0,0|1,1,0]=4 9036 B11R1.81 [13CH3]OCc1ccc(cc1F)Cl 7a_100011217562_200025704644 [1,1,0,0,0,0|1,1,0]=4 9037 B11R1.81 [13CH3]OCc1ccc(cc1F)F 34a_100011215441_200025704644 [1,1,0,0,0,0|1,1,0]=4 9038 B11R1.81 [13CH3]OCc1ccc(cc1F)F 7a_100011215441_200025704644 [1,1,0,0,0,0|1,1,0]=4 9039 B11R1.81 [13CH3]OCc1ccc(cc1F)I 34a_200010202041_200025704644 [1,1,0,0,0,0|1,1,0]=4 9040 B11R1.81 [13CH3]OCc1ccc(cc1F)I 7a_200010202041_200025704644 [1,1,0,0,0,0|1,1,0]=4 9041 B11R1.81 [13CH3]OCc1ccc(cc1I)Br 7a_100010146605_200025704644 [1,1,0,0,0,0|1,1,0]=4 9042 B11R1.81 [13CH3]OCc1ccc(cc1I)Cl 34a_100000722340_200025704644 [1,1,0,0,0,0|1,1,0]=4 9043 B11R1.81 [13CH3]OCc1ccc(cc1I)Cl 7a_100000722340_200025704644 [1,1,0,0,0,0|1,1,0]=4 9044 B11R1.81 [13CH3]OCc1ccc(cc1I)F 34a_100011356828_200025704644 [1,1,0,0,0,0|1,1,0]=4 9045 B11R1.81 [13CH3]OCc1ccc(cc1I)F 7a_100011356828_200025704644 [1,1,0,0,0,0|1,1,0]=4 9046 B11R1.81 [13CH3]OCc1ccc(cc1N)Br 34a_100000718831_200025704644 [1,1,0,0,0,0|2,0,0]=4 9047 B11R1.81 [13CH3]OCc1ccc(cc1N)Br 7a_100000718831_200025704644 [1,1,0,0,0,0|2,0,0]=4 9048 B11R1.81 [13CH3]OCc1ccc(cc1N)Cl 34a_100000238622_200025704644 [1,1,0,0,0,0|2,0,0]=4 9049 B11R1.81 [13CH3]OCc1ccc(cc1N)Cl 7a_100000238622_200025704644 [1,1,0,0,0,0|2,0,0]=4 9050 B11R1.81 [13CH3]OCc1ccc(cc1N)F 34a_100011996588_200025704644 [1,1,0,0,0,0|2,0,0]=4 9051 B11R1.81 [13CH3]OCc1ccc(nc1Cl)Cl 34a_100000720492_200025704644 [1,1,0,0,0,0|2,0,0]=4 9052 B11R1.81 [13CH3]OCc1ccc(nc1Cl)Cl 7a_100000720492_200025704644 [1,1,0,0,0,0|2,0,0]=4 9053 B11R1.81 [13CH3]OCc1cnc(cc1Cl)Cl 34a_100000702863_200025704644 [1,1,0,0,0,0|2,0,0]=4 9054 B11R1.81 [13CH3]OCc1cnc(cc1Cl)Cl 7a_100000702863_200025704644 [1,1,0,0,0,0|2,0,0]=4 9055 B11R1.81 [13CH3]OCc1ncc(cc1Cl)Br 34a_100010065239_200025704644 [1,1,0,0,0,0|2,0,0]=4 9056 B11R1.81 [13CH3]OCc1ncc(cc1Cl)Br 7a_100010065239_200025704644 [1,1,0,0,0,0|2,0,0]=4 9057 B11R1.81 [13CH3]OCc1ncc(cc1Cl)Cl 34a_100103146734_200025704644 [1,1,0,0,0,0|2,0,0]=4 9058 B11R1.81 [13CH3]OCc1ncc(cc1Cl)Cl 7a_100103146734_200025704644 [1,1,0,0,0,0|2,0,0]=4 9059 B11R1.81 [13CH3]SCc1ccc(cc1Br)Br 62a_200012351560_200025704644 [1,1,0,0,0,0|1,1,0]=4 9060 B11R1.81 [13CH3]SCc1ccc(cc1Br)Br 62a_200025704644_200012351560 [1,1,0,0,0,0|1,1,0]=4 9061 B11R1.81 [13CH3]SCc1ccc(cc1Br)Cl 62a_100000755608_200025704644 [1,1,0,0,0,0|1,1,0]=4 9062 B11R1.81 [13CH3]SCc1ccc(cc1Br)Cl 62a_200025704644_100000755608 [1,1,0,0,0,0|1,1,0]=4 9063 B11R1.81 [13CH3]SCc1ccc(cc1Br)F 62a_100000243222_200025704644 [1,1,0,0,0,0|1,1,0]=4 9064 B11R1.81 [13CH3]SCc1ccc(cc1Br)F 62a_200025704644_100000243222 [1,1,0,0,0,0|1,1,0]=4 9065 B11R1.81 [13CH3]SCc1ccc(cc1Br)I 62a_100010146610_200025704644 [1,1,0,0,0,0|1,1,0]=4 9066 B11R1.81 [13CH3]SCc1ccc(cc1Br)I 62a_200025704644_100010146610 [1,1,0,0,0,0|1,1,0]=4 9067 B11R1.81 [13CH3]SCc1ccc(cc1Cl)Br 62a_100011740631_200025704644 [1,1,0,0,0,0|1,0,0]=3 9068 B11R1.81 [13CH3]SCc1ccc(cc1Cl)Br 62a_200025704644_100011740631 [1,1,0,0,0,0|1,0,0]=3 9069 B11R1.81 [13CH3]SCc1ccc(cc1Cl)Cl 62a_100000188473_200025704644 [1,1,0,0,0,0|1,0,0]=3 9070 B11R1.81 [13CH3]SCc1ccc(cc1Cl)Cl 62a_200025704644_100000188473 [1,1,0,0,0,0|1,0,0]=3 9071 B11R1.81 [13CH3]SCc1ccc(cc1Cl)F 62a_100000187853_200025704644 [1,1,0,0,0,0|1,0,0]=3 9072 B11R1.81 [13CH3]SCc1ccc(cc1Cl)F 62a_200025704644_100000187853 [1,1,0,0,0,0|1,0,0]=3 9073 B11R1.81 [13CH3]SCc1ccc(cc1F)Br 62a_100000211606_200025704644 [1,1,0,0,0,0|1,1,0]=4 9074 B11R1.81 [13CH3]SCc1ccc(cc1F)Br 62a_200025704644_100000211606 [1,1,0,0,0,0|1,1,0]=4 9075 B11R1.81 [13CH3]SCc1ccc(cc1F)Cl 62a_100000709361_200025704644 [1,1,0,0,0,0|1,1,0]=4 9076 B11R1.81 [13CH3]SCc1ccc(cc1F)Cl 62a_200025704644_100000709361 [1,1,0,0,0,0|1,1,0]=4 9077 B11R1.81 [13CH3]SCc1ccc(cc1F)F 62a_100000748237_200025704644 [1,1,0,0,0,0|1,1,0]=4 9078 B11R1.81 [13CH3]SCc1ccc(cc1F)F 62a_200025704644_100000748237 [1,1,0,0,0,0|1,1,0]=4 9079 B11R1.81 [13CH3]SCc1ccc(cc1F)I 62a_100010244991_200025704644 [1,1,0,0,0,0|1,1,0]=4 9080 B11R1.81 [13CH3]SCc1ccc(cc1F)I 62a_200025704644_100010244991 [1,1,0,0,0,0|1,1,0]=4 9081 B11R1.81 [13CH3]SCc1ccc(cc1I)Br 62a_100010146615_200025704644 [1,1,0,0,0,0|1,1,0]=4 9082 B11R1.81 [13CH3]SCc1ccc(cc1I)Br 62a_200025704644_100010146615 [1,1,0,0,0,0|1,1,0]=4 9083 B11R1.81 [13CH3]SCc1ccc(cc1I)Cl 62a_100010254388_200025704644 [1,1,0,0,0,0|1,1,0]=4 9084 B11R1.81 [13CH3]SCc1ccc(cc1I)Cl 62a_200025704644_100010254388 [1,1,0,0,0,0|1,1,0]=4 9085 B11R1.81 [13CH3]SCc1ccc(cc1I)F 62a_100012354799_200025704644 [1,1,0,0,0,0|1,1,0]=4 9086 B11R1.81 [13CH3]SCc1ccc(cc1I)F 62a_200025704644_100012354799 [1,1,0,0,0,0|1,1,0]=4 9087 B11R1.81 [13CH3]SCc1ccc(nc1Cl)Cl 62a_100000722033_200025704644 [1,1,0,0,0,0|2,0,0]=4 9088 B11R1.81 [13CH3]SCc1ccc(nc1Cl)Cl 62a_200025704644_100000722033 [1,1,0,0,0,0|2,0,0]=4 9089 B11R1.81 [13CH3]SCc1cnc(cc1Cl)Cl 62a_100011997056_200025704644 [1,1,0,0,0,0|2,0,0]=4 9090 B11R1.81 [13CH3]SCc1cnc(cc1Cl)Cl 62a_200025704644_100011997056 [1,1,0,0,0,0|2,0,0]=4 9091 B11R1.86 CC(=Cc1ccccc1Cl)C 271570a_100102525489_100000764095 [1,1,0,0,0,0|0,0,2]=4 9092 B11R1.86 CC(=O)Cc1ccccc1Br 1458a_100000070787_100000184730 [1,1,0,0,0,0|0,1,1]=4 9093 B11R1.86 CC(=O)Cc1ccccc1Br 1458a_100000751119_200000210301 [1,1,0,0,0,0|0,1,1]=4 9094 B11R1.86 CC(=O)Cc1ccccc1C 1458a_100000070787_100000211839 [1,1,0,0,0,0|1,0,1]=4 9095 B11R1.86 CC(=O)Cc1ccccc1C 1458a_100000212180_200000210301 [1,1,0,0,0,0|1,0,1]=4 9096 B11R1.86 CC(=O)Cc1ccccc1Cl 1458a_100000070787_100000187162 [1,1,0,0,0,0|0,0,1]=3 9097 B11R1.86 CC(=O)Cc1ccccc1Cl 1458a_100000183793_200000210301 [1,1,0,0,0,0|0,0,1]=3 9098 B11R1.86 CC(=O)Cc1ccccc1F 1458a_100000070787_100000187165 [1,1,0,0,0,0|0,1,1]=4 9099 B11R1.86 CC(=O)Cc1ccccc1F 1458a_100000212012_200000210301 [1,1,0,0,0,0|0,1,1]=4 9100 B11R1.86 CC(=O)Cc1ccccc1I 1458a_100000036491_200000210301 [1,1,0,0,0,0|0,1,1]=4 9101 B11R1.86 CC(=O)Cc1ccccc1I 1458a_100000070787_100011216222 [1,1,0,0,0,0|0,1,1]=4 9102 B11R1.86 CC(=O)Cc1ccccc1O 1458a_100000743006_200000210301 [1,1,0,0,0,0|1,0,1]=4 9103 B11R1.86 CC(=O)Cc1ccccc1O 271570a_203496583355_100011350739 [1,1,0,0,0,0|1,0,1]=4 9104 B11R1.86 CC(=O)Cc1cccnc1Cl 1458a_100000070787_100000045678 [1,1,0,0,0,0|1,0,1]=4 9105 B11R1.86 CC(=O)Cc1cccnc1Cl 1458a_100000093521_200000210301 [1,1,0,0,0,0|1,0,1]=4 9106 B11R1.86 CC(=O)Cc1ccncc1Cl 1458a_100000070787_100000763264 [1,1,0,0,0,0|1,0,1]=4 9107 B11R1.86 CC(=O)Cc1ncccc1Cl 1458a_100000070787_100000099807 [1,1,0,0,0,0|1,0,1]=4 9108 B11R1.86 CC(=O)Cc1ncccc1Cl 1458a_100011998755_200000210301 [1,1,0,0,0,0|1,0,1]=4 9109 B11R1.86 CC(=O)Nc1ccccc1Cl 11a_100000185783_100015343762 [1,1,0,0,0,0|1,0,1]=4 9110 B11R1.86 CC(=O)Nc1ccccc1Cl 1626a_100000185783_100015343762 [1,1,0,0,0,0|1,0,1]=4 9111 B11R1.86 CC(=O)Nc1ccccc1Cl 22a_100000185783_100000070787 [1,1,0,0,0,0|1,0,1]=4 9112 B11R1.86 CC(=O)Nc1ccccc1Cl 527a_100000185783_100103153847 [1,1,0,0,0,0|1,0,1]=4 9113 B11R1.86 CC(C)Nc1ccccc1Br 34a_100000210017_100000210206 [1,1,0,0,0,0|1,1,0]=4 9114 B11R1.86 CC(C)Nc1ccccc1Cl 34a_100000185783_100000210206 [1,1,0,0,0,0|1,0,0]=3 9115 B11R1.86 CC(C)Nc1ccccc1F 34a_100000210422_100000210206 [1,1,0,0,0,0|1,1,0]=4 9116 B11R1.86 CC(C)Nc1ccccc1I 34a_100000210053_100000210206 [1,1,0,0,0,0|1,1,0]=4 9117 B11R1.86 CC(C)Nc1ccccc1O 271570a_203496583355_100000219599 [1,1,0,0,0,0|2,0,0]=4 9118 B11R1.86 CC(C)Nc1ccccc1O 34a_100000185747_100000210206 [1,1,0,0,0,0|2,0,0]=4 9119 B11R1.86 CC(C)Oc1ccccc1Br 34a_100000181306_100000210206 [1,1,0,0,0,0|1,1,0]=4 9120 B11R1.86 CC(C)Oc1ccccc1Br 7a_100000181306_100000210206 [1,1,0,0,0,0|1,1,0]=4 9121 B11R1.86 CC(C)Oc1ccccc1Cl 34a_100000210172_100000210206 [1,1,0,0,0,0|1,0,0]=3 9122 B11R1.86 CC(C)Oc1ccccc1Cl 7a_100000210172_100000210206 [1,1,0,0,0,0|1,0,0]=3 9123 B11R1.86 CC(C)Oc1ccccc1F 34a_100000210171_100000210206 [1,1,0,0,0,0|1,1,0]=4 9124 B11R1.86 CC(C)Oc1ccccc1F 7a_100000210171_100000210206 [1,1,0,0,0,0|1,1,0]=4 9125 B11R1.86 CC(C)Oc1ccccc1I 34a_100000739446_100000210206 [1,1,0,0,0,0|1,1,0]=4 9126 B11R1.86 CC(C)Oc1ccccc1I 7a_100000739446_100000210206 [1,1,0,0,0,0|1,1,0]=4 9127 B11R1.86 CC(C)Oc1ccccc1N 34a_100000185747_100000210206 [1,1,0,0,0,0|2,0,0]=4 9128 B11R1.86 CC(C)Oc1ccccc1N 7a_100000185747_100000210206 [1,1,0,0,0,0|2,0,0]=4 9129 B11R1.86 CC(C)Oc1ccccc1O 271570a_203496583355_100000173919 [1,1,0,0,0,0|2,0,0]=4 9130 B11R1.86 CC(C)Oc1cccnc1Cl 34a_100000757616_100000210206 [1,1,0,0,0,0|2,0,0]=4 9131 B11R1.86 CC(C)Oc1cccnc1Cl 7a_100000757616_100000210206 [1,1,0,0,0,0|2,0,0]=4 9132 B11R1.86 CC(C)Oc1ccncc1Cl 34a_100011997054_100000210206 [1,1,0,0,0,0|2,0,0]=4 9133 B11R1.86 CC(C)Oc1cnccc1Cl 34a_100011996695_100000210206 [1,1,0,0,0,0|2,0,0]=4 9134 B11R1.86 CC(C)Oc1ncccc1Cl 34a_100011290957_100000210206 [1,1,0,0,0,0|2,0,0]=4 9135 B11R1.86 CC(C)Sc1ccccc1Br 62a_100000210206_100000695589 [1,1,0,0,0,0|1,1,0]=4 9136 B11R1.86 CC(C)Sc1ccccc1Br 62a_100000695589_100000210206 [1,1,0,0,0,0|1,1,0]=4 9137 B11R1.86 CC(C)Sc1ccccc1Cl 62a_100000210206_100000764095 [1,1,0,0,0,0|1,0,0]=3 9138 B11R1.86 CC(C)Sc1ccccc1Cl 62a_100000764095_100000210206 [1,1,0,0,0,0|1,0,0]=3 9139 B11R1.86 CC(C)Sc1ccccc1F 62a_100000210206_100011215700 [1,1,0,0,0,0|1,1,0]=4 9140 B11R1.86 CC(C)Sc1ccccc1F 62a_100011215700_100000210206 [1,1,0,0,0,0|1,1,0]=4 9141 B11R1.86 CC(C)Sc1ccccc1N 62a_100000210017_100000210206 [1,1,0,0,0,0|2,0,0]=4 9142 B11R1.86 CC(C)Sc1ccccc1N 62a_100000210206_100000210017 [1,1,0,0,0,0|2,0,0]=4 9143 B11R1.86 CC(C)Sc1ccccc1O 62a_100000210206_100000739446 [1,1,0,0,0,0|2,0,0]=4 9144 B11R1.86 CC(C)Sc1ccccc1O 62a_100000739446_100000210206 [1,1,0,0,0,0|2,0,0]=4 9145 B11R1.86 CC(C)Sc1cccnc1Cl 62a_100000036424_100000210206 [1,1,0,0,0,0|2,0,0]=4 9146 B11R1.86 CC(C)Sc1cccnc1Cl 62a_100000210206_100000036424 [1,1,0,0,0,0|2,0,0]=4 9147 B11R1.86 CC(C)Sc1ccncc1Cl 62a_100000210206_100000708259 [1,1,0,0,0,0|2,0,0]=4 9148 B11R1.86 CC(C)Sc1ccncc1Cl 62a_100000708259_100000210206 [1,1,0,0,0,0|2,0,0]=4 9149 B11R1.86 CC(C)Sc1cnccc1Cl 62a_100000210206_100009995489 [1,1,0,0,0,0|2,0,0]=4 9150 B11R1.86 CC(C)Sc1cnccc1Cl 62a_100009995489_100000210206 [1,1,0,0,0,0|2,0,0]=4 9151 B11R1.86 CC(C)Sc1ncccc1Cl 62a_100000210206_100011356963 [1,1,0,0,0,0|2,0,0]=4 9152 B11R1.86 CC(C)Sc1ncccc1Cl 62a_100011356963_100000210206 [1,1,0,0,0,0|2,0,0]=4 9153 B11R1.86 CN(C)Cc1ccccc1Br 2230a_100000184654_200000210301 [1,1,0,0,0,0|0,1,0]=3 9154 B11R1.86 CN(C)Cc1ccccc1Br 2230a_100102631434_100000184730 [1,1,0,0,0,0|0,1,0]=3 9155 B11R1.86 CN(C)Cc1ccccc1Br 269982a_100000184654_200000210301 [1,1,0,0,0,0|0,1,0]=3 9156 B11R1.86 CN(C)Cc1ccccc1Br 269982a_100102631434_100000184730 [1,1,0,0,0,0|0,1,0]=3 9157 B11R1.86 CN(C)Cc1ccccc1Br 270004a_100102631434_100000211189 [1,1,0,0,0,0|0,1,0]=3 9158 B11R1.86 CN(C)Cc1ccccc1Cl 2230a_100000184507_200000210301 [1,1,0,0,0,0|0,0,0]=2 9159 B11R1.86 CN(C)Cc1ccccc1Cl 2230a_100102631434_100000187162 [1,1,0,0,0,0|0,0,0]=2 9160 B11R1.86 CN(C)Cc1ccccc1Cl 269982a_100000184507_200000210301 [1,1,0,0,0,0|0,0,0]=2 9161 B11R1.86 CN(C)Cc1ccccc1Cl 269982a_100102631434_100000187162 [1,1,0,0,0,0|0,0,0]=2 9162 B11R1.86 CN(C)Cc1ccccc1Cl 270004a_100102631434_100000210073 [1,1,0,0,0,0|0,0,0]=2 9163 B11R1.86 CN(C)Cc1ccccc1F 2230a_100000742528_200000210301 [1,1,0,0,0,0|0,1,0]=3 9164 B11R1.86 CN(C)Cc1ccccc1F 2230a_100102631434_100000211605 [1,1,0,0,0,0|0,1,0]=3 9165 B11R1.86 CN(C)Cc1ccccc1F 269982a_100000742528_200000210301 [1,1,0,0,0,0|0,1,0]=3 9166 B11R1.86 CN(C)Cc1ccccc1F 269982a_100102631434_100000211605 [1,1,0,0,0,0|0,1,0]=3 9167 B11R1.86 CN(C)Cc1ccccc1F 270004a_100102631434_100000210811 [1,1,0,0,0,0|0,1,0]=3 9168 B11R1.86 CN(C)Cc1ccccc1F 34a_100000742528_200000210301 [1,1,0,0,0,0|0,1,0]=3 9169 B11R1.86 CN(C)Cc1ccccc1I 2230a_100102631434_100011215278 [1,1,0,0,0,0|0,1,0]=3 9170 B11R1.86 CN(C)Cc1ccccc1I 269982a_100102631434_100011215278 [1,1,0,0,0,0|0,1,0]=3 9171 B11R1.86 CN(C)Cc1ccccc1I 270004a_100102631434_100000010305 [1,1,0,0,0,0|0,1,0]=3 9172 B11R1.86 CN(C)Cc1ccccc1O 2230a_100015189988_200000210301 [1,1,0,0,0,0|1,0,0]=3 9173 B11R1.86 CN(C)Cc1ccccc1O 269982a_100015189988_200000210301 [1,1,0,0,0,0|1,0,0]=3 9174 B11R1.86 CN(C)Cc1ccccc1O 271570a_203496583355_100000174758 [1,1,0,0,0,0|1,0,0]=3 9175 B11R1.86 CN(C)Cc1cccnc1Br 2230a_100102631434_100010140945 [1,1,0,0,0,0|1,1,0]=4 9176 B11R1.86 CN(C)Cc1cccnc1Br 269982a_100102631434_100010140945 [1,1,0,0,0,0|1,1,0]=4 9177 B11R1.86 CN(C)Cc1cccnc1Cl 2230a_100102631434_100000045678 [1,1,0,0,0,0|1,0,0]=3 9178 B11R1.86 CN(C)Cc1cccnc1Cl 2230a_103496529121_200000210301 [1,1,0,0,0,0|1,0,0]=3 9179 B11R1.86 CN(C)Cc1cccnc1Cl 269982a_100102631434_100000045678 [1,1,0,0,0,0|1,0,0]=3 9180 B11R1.86 CN(C)Cc1cccnc1Cl 269982a_103496529121_200000210301 [1,1,0,0,0,0|1,0,0]=3 9181 B11R1.86 CN(C)Cc1cccnc1F 2230a_100102631434_100000099810 [1,1,0,0,0,0|1,1,0]=4 9182 B11R1.86 CN(C)Cc1cccnc1F 269982a_100102631434_100000099810 [1,1,0,0,0,0|1,1,0]=4 9183 B11R1.86 CN(C)Cc1cccnc1O 270004a_100102631434_100011998315 [1,1,0,0,0,0|2,0,0]=4 9184 B11R1.86 CN(C)Cc1ccncc1Br 270004a_100102631434_100000755692 [1,1,0,0,0,0|1,1,0]=4 9185 B11R1.86 CN(C)Cc1ccncc1Cl 2230a_100102631434_100000763264 [1,1,0,0,0,0|1,0,0]=3 9186 B11R1.86 CN(C)Cc1ccncc1Cl 269982a_100102631434_100000763264 [1,1,0,0,0,0|1,0,0]=3 9187 B11R1.86 CN(C)Cc1ccncc1Cl 270004a_100102631434_100011934409 [1,1,0,0,0,0|1,0,0]=3 9188 B11R1.86 CN(C)Cc1cnccc1Br 270004a_100102631434_100009816821 [1,1,0,0,0,0|1,1,0]=4 9189 B11R1.86 CN(C)Cc1cnccc1Cl 270004a_100102631434_100000050567 [1,1,0,0,0,0|1,0,0]=3 9190 B11R1.86 CN(C)Cc1ncccc1Br 2230a_100102631434_100025702911 [1,1,0,0,0,0|1,1,0]=4 9191 B11R1.86 CN(C)Cc1ncccc1Br 270004a_100102631434_100011934733 [1,1,0,0,0,0|1,1,0]=4 9192 B11R1.86 CN(C)Cc1ncccc1Cl 2230a_100102631434_100000099807 [1,1,0,0,0,0|1,0,0]=3 9193 B11R1.86 CN(C)Cc1ncccc1Cl 269982a_100102631434_100000099807 [1,1,0,0,0,0|1,0,0]=3 9194 B11R1.86 CN(C)Cc1ncccc1Cl 270004a_100102631434_100012001307 [1,1,0,0,0,0|1,0,0]=3 9195 B11R1.86 CN(C)Cc1ncccc1F 2230a_100102631434_100000104219 [1,1,0,0,0,0|1,1,0]=4 9196 B11R1.86 CN(C)Cc1ncccc1F 269982a_100102631434_100000104219 [1,1,0,0,0,0|1,1,0]=4 9197 B11R1.86 CN(C)Cc1ncccc1F 270004a_100102631434_100011934734 [1,1,0,0,0,0|1,1,0]=4 9198 B11R1.86 CN([13CH3])Cc1ccccc1Br 2230a_100000184654_200025704644 [1,1,0,0,0,0|0,1,0]=3 9199 B11R1.86 CN([13CH3])Cc1ccccc1Br 269982a_100000184654_200025704644 [1,1,0,0,0,0|0,1,0]=3 9200 B11R1.86 CN([13CH3])Cc1ccccc1Cl 2230a_100000184507_200025704644 [1,1,0,0,0,0|0,0,0]=2 9201 B11R1.86 CN([13CH3])Cc1ccccc1Cl 269982a_100000184507_200025704644 [1,1,0,0,0,0|0,0,0]=2 9202 B11R1.86 CN([13CH3])Cc1ccccc1F 2230a_100000742528_200025704644 [1,1,0,0,0,0|0,1,0]=3 9203 B11R1.86 CN([13CH3])Cc1ccccc1F 269982a_100000742528_200025704644 [1,1,0,0,0,0|0,1,0]=3 9204 B11R1.86 CN([13CH3])Cc1ccccc1F 34a_100000742528_200025704644 [1,1,0,0,0,0|0,1,0]=3 9205 B11R1.86 CN([13CH3])Cc1ccccc1O 2230a_100015189988_200025704644 [1,1,0,0,0,0|1,0,0]=3 9206 B11R1.86 CN([13CH3])Cc1ccccc1O 269982a_100015189988_200025704644 [1,1,0,0,0,0|1,0,0]=3 9207 B11R1.86 CN([13CH3])Cc1cccnc1Cl 2230a_103496529121_200025704644 [1,1,0,0,0,0|1,0,0]=3 9208 B11R1.86 CN([13CH3])Cc1cccnc1Cl 269982a_103496529121_200025704644 [1,1,0,0,0,0|1,0,0]=3 9209 B11R1.86 Cc1ccccc1CC(=O)[13CH3] 1458a_100000212180_200025704644 [1,1,0,0,0,0|1,0,1]=4 9210 B11R1.86 Cc1ccccc1CN(C)C 2230a_100000184421_200000210301 [1,1,0,0,0,0|1,0,0]=3 9211 B11R1.86 Cc1ccccc1CN(C)C 2230a_100102631434_100000211839 [1,1,0,0,0,0|1,0,0]=3 9212 B11R1.86 Cc1ccccc1CN(C)C 269982a_100000184421_200000210301 [1,1,0,0,0,0|1,0,0]=3 9213 B11R1.86 Cc1ccccc1CN(C)C 269982a_100102631434_100000211839 [1,1,0,0,0,0|1,0,0]=3 9214 B11R1.86 Cc1ccccc1CN(C)C 270004a_100102631434_100000211143 [1,1,0,0,0,0|1,0,0]=3 9215 B11R1.86 Cc1ccccc1CN(C)[13CH3] 2230a_100000184421_200025704644 [1,1,0,0,0,0|1,0,0]=3 9216 B11R1.86 Cc1ccccc1CN(C)[13CH3] 269982a_100000184421_200025704644 [1,1,0,0,0,0|1,0,0]=3 9217 B11R1.86 Cc1ccccc1NC(C)C 34a_100015192222_100000210206 [1,1,0,0,0,0|2,0,0]=4 9218 B11R1.86 Cc1ccccc1OC(C)C 34a_100000210338_100000210206 [1,1,0,0,0,0|2,0,0]=4 9219 B11R1.86 Cc1ccccc1OC(C)C 7a_100000210338_100000210206 [1,1,0,0,0,0|2,0,0]=4 9220 B11R1.86 Cc1ccccc1SC(C)C 62a_100000210206_100000210755 [1,1,0,0,0,0|2,0,0]=4 9221 B11R1.86 Cc1ccccc1SC(C)C 62a_100000210755_100000210206 [1,1,0,0,0,0|2,0,0]=4 9222 B11R1.86 Cc1cccnc1CN(C)C 2230a_100102631434_100000696600 [1,1,0,0,0,0|2,0,0]=4 9223 B11R1.86 Cc1cccnc1CN(C)C 269982a_100102631434_100000696600 [1,1,0,0,0,0|2,0,0]=4 9224 B11R1.86 Cc1cccnc1CN(C)C 270004a_100102631434_100000698913 [1,1,0,0,0,0|2,0,0]=4 9225 B11R1.86 Cc1ccncc1CN(C)C 2230a_100102631434_100000690890 [1,1,0,0,0,0|2,0,0]=4 9226 B11R1.86 Cc1ccncc1CN(C)C 269982a_100102631434_100000690890 [1,1,0,0,0,0|2,0,0]=4 9227 B11R1.86 Cc1ccncc1CN(C)C 270004a_100102631434_100000685662 [1,1,0,0,0,0|2,0,0]=4 9228 B11R1.86 Cc1cnccc1CN(C)C 2230a_100015187836_200000210301 [1,1,0,0,0,0|2,0,0]=4 9229 B11R1.86 Cc1cnccc1CN(C)C 2230a_100102631434_100020672808 [1,1,0,0,0,0|2,0,0]=4 9230 B11R1.86 Cc1cnccc1CN(C)C 269982a_100015187836_200000210301 [1,1,0,0,0,0|2,0,0]=4 9231 B11R1.86 Cc1cnccc1CN(C)C 269982a_100102631434_100020672808 [1,1,0,0,0,0|2,0,0]=4 9232 B11R1.86 Cc1cnccc1CN(C)[13CH3] 2230a_100015187836_200025704644 [1,1,0,0,0,0|2,0,0]=4 9233 B11R1.86 Cc1cnccc1CN(C)[13CH3] 269982a_100015187836_200025704644 [1,1,0,0,0,0|2,0,0]=4 9234 B11R1.86 Cc1ncccc1CN(C)C 2230a_100102631434_100000732876 [1,1,0,0,0,0|2,0,0]=4 9235 B11R1.86 Cc1ncccc1CN(C)C 2230a_200011875998_200000210301 [1,1,0,0,0,0|2,0,0]=4 9236 B11R1.86 Cc1ncccc1CN(C)C 269982a_100102631434_100000732876 [1,1,0,0,0,0|2,0,0]=4 9237 B11R1.86 Cc1ncccc1CN(C)C 269982a_200011875998_200000210301 [1,1,0,0,0,0|2,0,0]=4 9238 B11R1.86 Cc1ncccc1CN(C)C 270004a_100102631434_100000751968 [1,1,0,0,0,0|2,0,0]=4 9239 B11R1.86 Cc1ncccc1CN(C)[13CH3] 2230a_200011875998_200025704644 [1,1,0,0,0,0|2,0,0]=4 9240 B11R1.86 Cc1ncccc1CN(C)[13CH3] 269982a_200011875998_200025704644 [1,1,0,0,0,0|2,0,0]=4 9241 B11R1.86 NC(=O)Cc1ccccc1O 271570a_203496583355_200009814924 [1,1,0,0,0,0|1,0,1]=4 9242 B11R1.86 [13CH3]C(=O)Cc1ccccc1Br 1458a_100000751119_200025704644 [1,1,0,0,0,0|0,1,1]=4 9243 B11R1.86 [13CH3]C(=O)Cc1ccccc1Cl 1458a_100000183793_200025704644 [1,1,0,0,0,0|0,0,1]=3 9244 B11R1.86 [13CH3]C(=O)Cc1ccccc1F 1458a_100000212012_200025704644 [1,1,0,0,0,0|0,1,1]=4 9245 B11R1.86 [13CH3]C(=O)Cc1ccccc1I 1458a_100000036491_200025704644 [1,1,0,0,0,0|0,1,1]=4 9246 B11R1.86 [13CH3]C(=O)Cc1ccccc1O 1458a_100000743006_200025704644 [1,1,0,0,0,0|1,0,1]=4 9247 B11R1.86 [13CH3]C(=O)Cc1cccnc1Cl 1458a_100000093521_200025704644 [1,1,0,0,0,0|1,0,1]=4 9248 B11R1.86 [13CH3]C(=O)Cc1ncccc1Cl 1458a_100011998755_200025704644 [1,1,0,0,0,0|1,0,1]=4 9249 B11R1.182 CC=Cc1cc(ccc1Cl)Br 271570a_100016259895_100011772130 [1,1,0,0,0,0|0,0,2]=4 9250 B11R1.182 CC=Cc1cc(ccc1Cl)C 271570a_100016259895_100012356289 [1,1,0,0,0,0|0,0,2]=4 9251 B11R1.182 CC=Cc1cc(ccc1Cl)Cl 271570a_100016259895_100000707729 [1,1,0,0,0,0|0,0,2]=4 9252 B11R1.182 CC=Cc1cc(ccc1Cl)F 271570a_100016259895_100011217299 [1,1,0,0,0,0|0,0,2]=4 9253 B11R1.182 CC=Cc1cc(ccc1Cl)N 271570a_100016259895_100012360549 [1,1,0,0,0,0|0,0,2]=4 9254 B11R1.182 CC=Cc1cc(ccc1Cl)O 271570a_100016259895_100000049588 [1,1,0,0,0,0|0,0,2]=4 9255 B11R1.182 CCNc1cc(ccc1Br)Br 34a_100000737762_100000210202 [1,1,0,0,0,0|1,1,0]=4 9256 B11R1.182 CCNc1cc(ccc1Br)C 34a_100000745044_100000210202 [1,1,0,0,0,0|1,1,0]=4 9257 B11R1.182 CCNc1cc(ccc1Br)Cl 34a_100000687073_100000210202 [1,1,0,0,0,0|1,1,0]=4 9258 B11R1.182 CCNc1cc(ccc1Br)F 34a_100000687223_100000210202 [1,1,0,0,0,0|1,1,0]=4 9259 B11R1.182 CCNc1cc(ccc1Br)O 34a_100011999798_100000210202 [1,1,0,0,0,0|1,1,0]=4 9260 B11R1.182 CCNc1cc(ccc1C)Br 34a_100000741167_100000210202 [1,1,0,0,0,0|2,0,0]=4 9261 B11R1.182 CCNc1cc(ccc1C)Br 7a_100000741167_100000210202 [1,1,0,0,0,0|2,0,0]=4 9262 B11R1.182 CCNc1cc(ccc1C)C 2230a_100000185781_100000210202 [1,1,0,0,0,0|2,0,0]=4 9263 B11R1.182 CCNc1cc(ccc1C)C 34a_100000185781_100000210202 [1,1,0,0,0,0|2,0,0]=4 9264 B11R1.182 CCNc1cc(ccc1C)C 7a_100000185781_100000210202 [1,1,0,0,0,0|2,0,0]=4 9265 B11R1.182 CCNc1cc(ccc1C)Cl 34a_100000211374_100000210202 [1,1,0,0,0,0|2,0,0]=4 9266 B11R1.182 CCNc1cc(ccc1C)Cl 7a_100000211374_100000210202 [1,1,0,0,0,0|2,0,0]=4 9267 B11R1.182 CCNc1cc(ccc1C)F 34a_100000211107_100000210202 [1,1,0,0,0,0|2,0,0]=4 9268 B11R1.182 CCNc1cc(ccc1C)F 7a_100000211107_100000210202 [1,1,0,0,0,0|2,0,0]=4 9269 B11R1.182 CCNc1cc(ccc1C)I 7a_100000761890_100000210202 [1,1,0,0,0,0|2,0,0]=4 9270 B11R1.182 CCNc1cc(ccc1C)O 34a_100011216113_100000210202 [1,1,0,0,0,0|2,0,0]=4 9271 B11R1.182 CCNc1cc(ccc1Cl)Br 34a_100000750497_100000210202 [1,1,0,0,0,0|1,0,0]=3 9272 B11R1.182 CCNc1cc(ccc1Cl)C 34a_100011215360_100000210202 [1,1,0,0,0,0|1,0,0]=3 9273 B11R1.182 CCNc1cc(ccc1Cl)Cl 34a_100000184485_100000210202 [1,1,0,0,0,0|1,0,0]=3 9274 B11R1.182 CCNc1cc(ccc1Cl)F 34a_100000751338_100000210202 [1,1,0,0,0,0|1,0,0]=3 9275 B11R1.182 CCNc1cc(ccc1Cl)I 34a_200000761891_100000210202 [1,1,0,0,0,0|1,0,0]=3 9276 B11R1.182 CCNc1cc(ccc1Cl)O 34a_100011934297_100000210202 [1,1,0,0,0,0|1,0,0]=3 9277 B11R1.182 CCNc1cc(ccc1F)Br 34a_100000740924_100000210202 [1,1,0,0,0,0|1,1,0]=4 9278 B11R1.182 CCNc1cc(ccc1F)C 34a_100000211285_100000210202 [1,1,0,0,0,0|1,1,0]=4 9279 B11R1.182 CCNc1cc(ccc1F)Cl 34a_100000212115_100000210202 [1,1,0,0,0,0|1,1,0]=4 9280 B11R1.182 CCNc1cc(ccc1F)F 34a_100000210742_100000210202 [1,1,0,0,0,0|1,1,0]=4 9281 B11R1.182 CCNc1cc(ccc1F)I 34a_100011464823_100000210202 [1,1,0,0,0,0|1,1,0]=4 9282 B11R1.182 CCNc1cc(ccc1F)O 34a_100012017239_100000210202 [1,1,0,0,0,0|1,1,0]=4 9283 B11R1.182 CCNc1cc(ccc1I)Br 34a_100000743836_100000210202 [1,1,0,0,0,0|1,1,0]=4 9284 B11R1.182 CCNc1cc(ccc1I)C 34a_100011216686_100000210202 [1,1,0,0,0,0|1,1,0]=4 9285 B11R1.182 CCNc1cc(ccc1I)Cl 34a_100000761886_100000210202 [1,1,0,0,0,0|1,1,0]=4 9286 B11R1.182 CCNc1cc(ccc1I)F 34a_100011218093_100000210202 [1,1,0,0,0,0|1,1,0]=4 9287 B11R1.182 CCNc1cc(ccc1N)O 271570a_203496583355_100000696630 [1,1,0,0,0,0|2,0,0]=4 9288 B11R1.182 CCNc1cc(ccc1O)Br 34a_100000752626_100000210202 [1,1,0,0,0,0|2,0,0]=4 9289 B11R1.182 CCNc1cc(ccc1O)C 34a_100011215204_100000210202 [1,1,0,0,0,0|2,0,0]=4 9290 B11R1.182 CCNc1cc(ccc1O)Cl 34a_100000210500_100000210202 [1,1,0,0,0,0|2,0,0]=4 9291 B11R1.182 CCNc1cc(ccc1O)F 34a_100000759472_100000210202 [1,1,0,0,0,0|2,0,0]=4 9292 B11R1.182 CCNc1cc(ncc1Cl)F 27a_100015525214_100009892587 [1,1,0,0,0,0|2,0,0]=4 9293 B11R1.182 CCOc1cc(=O)[nH]cc1Cl 34a_100000069390_100000210202 [1,1,0,0,0,0|2,0,0]=4 9294 B11R1.182 CCOc1cc(ccc1Br)Br 34a_100011220040_100000210202 [1,1,0,0,0,0|1,1,0]=4 9295 B11R1.182 CCOc1cc(ccc1Br)Br 7a_100011220040_100000210202 [1,1,0,0,0,0|1,1,0]=4 9296 B11R1.182 CCOc1cc(ccc1Br)C 34a_100012002257_100000210202 [1,1,0,0,0,0|1,1,0]=4 9297 B11R1.182 CCOc1cc(ccc1Br)C 7a_100012002257_100000210202 [1,1,0,0,0,0|1,1,0]=4 9298 B11R1.182 CCOc1cc(ccc1Br)Cl 34a_100012339455_100000210202 [1,1,0,0,0,0|1,1,0]=4 9299 B11R1.182 CCOc1cc(ccc1Br)Cl 7a_100012339455_100000210202 [1,1,0,0,0,0|1,1,0]=4 9300 B11R1.182 CCOc1cc(ccc1Br)F 34a_100000690578_100000210202 [1,1,0,0,0,0|1,1,0]=4 9301 B11R1.182 CCOc1cc(ccc1Br)F 7a_100000690578_100000210202 [1,1,0,0,0,0|1,1,0]=4 9302 B11R1.182 CCOc1cc(ccc1Br)I 34a_100012356990_100000210202 [1,1,0,0,0,0|1,1,0]=4 9303 B11R1.182 CCOc1cc(ccc1Br)I 7a_100012356990_100000210202 [1,1,0,0,0,0|1,1,0]=4 9304 B11R1.182 CCOc1cc(ccc1C)Br 34a_100000685420_100000210202 [1,1,0,0,0,0|2,0,0]=4 9305 B11R1.182 CCOc1cc(ccc1C)Br 7a_100000685420_100000210202 [1,1,0,0,0,0|2,0,0]=4 9306 B11R1.182 CCOc1cc(ccc1C)C 34a_100000210931_100000210202 [1,1,0,0,0,0|2,0,0]=4 9307 B11R1.182 CCOc1cc(ccc1C)C 7a_100000210931_100000210202 [1,1,0,0,0,0|2,0,0]=4 9308 B11R1.182 CCOc1cc(ccc1C)Cl 34a_100000756515_100000210202 [1,1,0,0,0,0|2,0,0]=4 9309 B11R1.182 CCOc1cc(ccc1C)Cl 7a_100000756515_100000210202 [1,1,0,0,0,0|2,0,0]=4 9310 B11R1.182 CCOc1cc(ccc1C)F 34a_100000690566_100000210202 [1,1,0,0,0,0|2,0,0]=4 9311 B11R1.182 CCOc1cc(ccc1C)F 7a_100000690566_100000210202 [1,1,0,0,0,0|2,0,0]=4 9312 B11R1.182 CCOc1cc(ccc1C)I 7a_100000766334_100000210202 [1,1,0,0,0,0|2,0,0]=4 9313 B11R1.182 CCOc1cc(ccc1C)N 34a_100000759471_100000210202 [1,1,0,0,0,0|2,0,0]=4 9314 B11R1.182 CCOc1cc(ccc1C)N 7a_100000759471_100000210202 [1,1,0,0,0,0|2,0,0]=4 9315 B11R1.182 CCOc1cc(ccc1C)O 271570a_203496583355_100012361169 [1,1,0,0,0,0|2,0,0]=4 9316 B11R1.182 CCOc1cc(ccc1Cl)Br 34a_100000738945_100000210202 [1,1,0,0,0,0|1,0,0]=3 9317 B11R1.182 CCOc1cc(ccc1Cl)Br 7a_100000738945_100000210202 [1,1,0,0,0,0|1,0,0]=3 9318 B11R1.182 CCOc1cc(ccc1Cl)C 34a_100000211493_100000210202 [1,1,0,0,0,0|1,0,0]=3 9319 B11R1.182 CCOc1cc(ccc1Cl)C 7a_100000211493_100000210202 [1,1,0,0,0,0|1,0,0]=3 9320 B11R1.182 CCOc1cc(ccc1Cl)Cl 34a_100000211422_100000210202 [1,1,0,0,0,0|1,0,0]=3 9321 B11R1.182 CCOc1cc(ccc1Cl)Cl 7a_100000211422_100000210202 [1,1,0,0,0,0|1,0,0]=3 9322 B11R1.182 CCOc1cc(ccc1Cl)F 34a_100000692107_100000210202 [1,1,0,0,0,0|1,0,0]=3 9323 B11R1.182 CCOc1cc(ccc1Cl)F 7a_100000692107_100000210202 [1,1,0,0,0,0|1,0,0]=3 9324 B11R1.182 CCOc1cc(ccc1Cl)I 34a_100011356854_100000210202 [1,1,0,0,0,0|1,0,0]=3 9325 B11R1.182 CCOc1cc(ccc1Cl)I 7a_100011356854_100000210202 [1,1,0,0,0,0|1,0,0]=3 9326 B11R1.182 CCOc1cc(ccc1Cl)N 34a_100011934209_100000210202 [1,1,0,0,0,0|1,0,0]=3 9327 B11R1.182 CCOc1cc(ccc1F)Br 34a_100000686035_100000210202 [1,1,0,0,0,0|1,1,0]=4 9328 B11R1.182 CCOc1cc(ccc1F)Br 7a_100000686035_100000210202 [1,1,0,0,0,0|1,1,0]=4 9329 B11R1.182 CCOc1cc(ccc1F)C 34a_100000759540_100000210202 [1,1,0,0,0,0|1,1,0]=4 9330 B11R1.182 CCOc1cc(ccc1F)C 7a_100000759540_100000210202 [1,1,0,0,0,0|1,1,0]=4 9331 B11R1.182 CCOc1cc(ccc1F)Cl 34a_100000757397_100000210202 [1,1,0,0,0,0|1,1,0]=4 9332 B11R1.182 CCOc1cc(ccc1F)Cl 7a_100000757397_100000210202 [1,1,0,0,0,0|1,1,0]=4 9333 B11R1.182 CCOc1cc(ccc1F)F 34a_100000752141_100000210202 [1,1,0,0,0,0|1,1,0]=4 9334 B11R1.182 CCOc1cc(ccc1F)F 7a_100000752141_100000210202 [1,1,0,0,0,0|1,1,0]=4 9335 B11R1.182 CCOc1cc(ccc1F)I 34a_100009958187_100000210202 [1,1,0,0,0,0|1,1,0]=4 9336 B11R1.182 CCOc1cc(ccc1F)I 7a_100009958187_100000210202 [1,1,0,0,0,0|1,1,0]=4 9337 B11R1.182 CCOc1cc(ccc1F)N 34a_100012017398_100000210202 [1,1,0,0,0,0|1,1,0]=4 9338 B11R1.182 CCOc1cc(ccc1F)N 7a_100012017398_100000210202 [1,1,0,0,0,0|1,1,0]=4 9339 B11R1.182 CCOc1cc(ccc1F)O 271570a_203496583355_200012344967 [1,1,0,0,0,0|1,1,0]=4 9340 B11R1.182 CCOc1cc(ccc1I)Br 34a_100012344904_100000210202 [1,1,0,0,0,0|1,1,0]=4 9341 B11R1.182 CCOc1cc(ccc1I)Br 7a_100012344904_100000210202 [1,1,0,0,0,0|1,1,0]=4 9342 B11R1.182 CCOc1cc(ccc1I)Cl 34a_100000050036_100000210202 [1,1,0,0,0,0|1,1,0]=4 9343 B11R1.182 CCOc1cc(ccc1I)Cl 7a_100000050036_100000210202 [1,1,0,0,0,0|1,1,0]=4 9344 B11R1.182 CCOc1cc(ccc1I)F 34a_100010084537_100000210202 [1,1,0,0,0,0|1,1,0]=4 9345 B11R1.182 CCOc1cc(ccc1I)F 7a_100010084537_100000210202 [1,1,0,0,0,0|1,1,0]=4 9346 B11R1.182 CCOc1cc(ccc1N)Br 34a_100000739049_100000210202 [1,1,0,0,0,0|2,0,0]=4 9347 B11R1.182 CCOc1cc(ccc1N)Br 7a_100000739049_100000210202 [1,1,0,0,0,0|2,0,0]=4 9348 B11R1.182 CCOc1cc(ccc1N)C 34a_100000211527_100000210202 [1,1,0,0,0,0|2,0,0]=4 9349 B11R1.182 CCOc1cc(ccc1N)C 7a_100000211527_100000210202 [1,1,0,0,0,0|2,0,0]=4 9350 B11R1.182 CCOc1cc(ccc1N)Cl 34a_100000185728_100000210202 [1,1,0,0,0,0|2,0,0]=4 9351 B11R1.182 CCOc1cc(ccc1N)Cl 7a_100000185728_100000210202 [1,1,0,0,0,0|2,0,0]=4 9352 B11R1.182 CCOc1cc(ccc1N)F 34a_100000753323_100000210202 [1,1,0,0,0,0|2,0,0]=4 9353 B11R1.182 CCOc1cc(ccc1N)F 7a_100000753323_100000210202 [1,1,0,0,0,0|2,0,0]=4 9354 B11R1.182 CCOc1cc(ccc1N)I 34a_100000057187_100000210202 [1,1,0,0,0,0|2,0,0]=4 9355 B11R1.182 CCOc1cc(ccc1N)I 7a_100000057187_100000210202 [1,1,0,0,0,0|2,0,0]=4 9356 B11R1.182 CCOc1cc(ccc1N)N 34a_100025717382_100000210202 [1,1,0,0,0,0|2,0,0]=4 9357 B11R1.182 CCOc1cc(ccc1N)O 271570a_203496583355_100000688918 [1,1,0,0,0,0|2,0,0]=4 9358 B11R1.182 CCOc1cc(ccc1O)C 271570a_203496583355_200010713166 [1,1,0,0,0,0|2,0,0]=4 9359 B11R1.182 CCOc1cc(ccc1O)F 271570a_203496583355_200012340411 [1,1,0,0,0,0|2,0,0]=4 9360 B11R1.182 CCOc1cc(ccc1O)N 271570a_203496583355_200016990551 [1,1,0,0,0,0|2,0,0]=4 9361 B11R1.182 CCOc1cc(cnc1Cl)Br 34a_100012354860_100000210202 [1,1,0,0,0,0|2,0,0]=4 9362 B11R1.182 CCOc1cc(cnc1Cl)Br 7a_100012354860_100000210202 [1,1,0,0,0,0|2,0,0]=4 9363 B11R1.182 CCOc1cc(cnc1Cl)C 34a_100012000487_100000210202 [1,1,0,0,0,0|2,0,0]=4 9364 B11R1.182 CCOc1cc(cnc1Cl)C 7a_100012000487_100000210202 [1,1,0,0,0,0|2,0,0]=4 9365 B11R1.182 CCOc1cc(cnc1Cl)F 34a_100000079967_100000210202 [1,1,0,0,0,0|2,0,0]=4 9366 B11R1.182 CCOc1cc(cnc1Cl)F 7a_100000079967_100000210202 [1,1,0,0,0,0|2,0,0]=4 9367 B11R1.182 CCOc1cc(ncc1Cl)Br 34a_100010173861_100000210202 [1,1,0,0,0,0|2,0,0]=4 9368 B11R1.182 CCSc1cc(ccc1Br)Br 62a_100000210202_100011483371 [1,1,0,0,0,0|1,1,0]=4 9369 B11R1.182 CCSc1cc(ccc1Br)Br 62a_100011483371_100000210202 [1,1,0,0,0,0|1,1,0]=4 9370 B11R1.182 CCSc1cc(ccc1Br)C 62a_100000210202_100012353751 [1,1,0,0,0,0|1,1,0]=4 9371 B11R1.182 CCSc1cc(ccc1Br)C 62a_100012353751_100000210202 [1,1,0,0,0,0|1,1,0]=4 9372 B11R1.182 CCSc1cc(ccc1Br)Cl 62a_100000210202_100012339723 [1,1,0,0,0,0|1,1,0]=4 9373 B11R1.182 CCSc1cc(ccc1Br)Cl 62a_100012339723_100000210202 [1,1,0,0,0,0|1,1,0]=4 9374 B11R1.182 CCSc1cc(ccc1Br)F 62a_100000210202_100011217576 [1,1,0,0,0,0|1,1,0]=4 9375 B11R1.182 CCSc1cc(ccc1Br)F 62a_100011217576_100000210202 [1,1,0,0,0,0|1,1,0]=4 9376 B11R1.182 CCSc1cc(ccc1Br)N 62a_100000210202_100000750459 [1,1,0,0,0,0|1,1,0]=4 9377 B11R1.182 CCSc1cc(ccc1Br)N 62a_100000750459_100000210202 [1,1,0,0,0,0|1,1,0]=4 9378 B11R1.182 CCSc1cc(ccc1Br)O 62a_100000210202_100012339312 [1,1,0,0,0,0|1,1,0]=4 9379 B11R1.182 CCSc1cc(ccc1Br)O 62a_100012339312_100000210202 [1,1,0,0,0,0|1,1,0]=4 9380 B11R1.182 CCSc1cc(ccc1C)Br 62a_100000210202_100011344865 [1,1,0,0,0,0|2,0,0]=4 9381 B11R1.182 CCSc1cc(ccc1C)Br 62a_100011344865_100000210202 [1,1,0,0,0,0|2,0,0]=4 9382 B11R1.182 CCSc1cc(ccc1C)C 62a_100000210202_100000210833 [1,1,0,0,0,0|2,0,0]=4 9383 B11R1.182 CCSc1cc(ccc1C)C 62a_100000210833_100000210202 [1,1,0,0,0,0|2,0,0]=4 9384 B11R1.182 CCSc1cc(ccc1C)Cl 62a_100000210202_100011263213 [1,1,0,0,0,0|2,0,0]=4 9385 B11R1.182 CCSc1cc(ccc1C)Cl 62a_100011263213_100000210202 [1,1,0,0,0,0|2,0,0]=4 9386 B11R1.182 CCSc1cc(ccc1C)F 62a_100000210202_100011218078 [1,1,0,0,0,0|2,0,0]=4 9387 B11R1.182 CCSc1cc(ccc1C)F 62a_100011218078_100000210202 [1,1,0,0,0,0|2,0,0]=4 9388 B11R1.182 CCSc1cc(ccc1C)N 62a_100000210202_100000736455 [1,1,0,0,0,0|2,0,0]=4 9389 B11R1.182 CCSc1cc(ccc1C)N 62a_100000736455_100000210202 [1,1,0,0,0,0|2,0,0]=4 9390 B11R1.182 CCSc1cc(ccc1C)O 62a_100000210202_100011380479 [1,1,0,0,0,0|2,0,0]=4 9391 B11R1.182 CCSc1cc(ccc1C)O 62a_100011380479_100000210202 [1,1,0,0,0,0|2,0,0]=4 9392 B11R1.182 CCSc1cc(ccc1Cl)Br 62a_100000210202_100011772130 [1,1,0,0,0,0|1,0,0]=3 9393 B11R1.182 CCSc1cc(ccc1Cl)Br 62a_100011772130_100000210202 [1,1,0,0,0,0|1,0,0]=3 9394 B11R1.182 CCSc1cc(ccc1Cl)C 62a_100000210202_100012356289 [1,1,0,0,0,0|1,0,0]=3 9395 B11R1.182 CCSc1cc(ccc1Cl)C 62a_100012356289_100000210202 [1,1,0,0,0,0|1,0,0]=3 9396 B11R1.182 CCSc1cc(ccc1Cl)Cl 62a_100000210202_100000707729 [1,1,0,0,0,0|1,0,0]=3 9397 B11R1.182 CCSc1cc(ccc1Cl)Cl 62a_100000707729_100000210202 [1,1,0,0,0,0|1,0,0]=3 9398 B11R1.182 CCSc1cc(ccc1Cl)F 62a_100000210202_100011217299 [1,1,0,0,0,0|1,0,0]=3 9399 B11R1.182 CCSc1cc(ccc1Cl)F 62a_100011217299_100000210202 [1,1,0,0,0,0|1,0,0]=3 9400 B11R1.182 CCSc1cc(ccc1Cl)N 62a_100000210202_100012360549 [1,1,0,0,0,0|1,0,0]=3 9401 B11R1.182 CCSc1cc(ccc1Cl)N 62a_100012360549_100000210202 [1,1,0,0,0,0|1,0,0]=3 9402 B11R1.182 CCSc1cc(ccc1Cl)O 62a_100000049588_100000210202 [1,1,0,0,0,0|1,0,0]=3 9403 B11R1.182 CCSc1cc(ccc1Cl)O 62a_100000210202_100000049588 [1,1,0,0,0,0|1,0,0]=3 9404 B11R1.182 CCSc1cc(ccc1F)Br 62a_100000210202_100011217312 [1,1,0,0,0,0|1,1,0]=4 9405 B11R1.182 CCSc1cc(ccc1F)Br 62a_100011217312_100000210202 [1,1,0,0,0,0|1,1,0]=4 9406 B11R1.182 CCSc1cc(ccc1F)C 62a_100000210202_100000736223 [1,1,0,0,0,0|1,1,0]=4 9407 B11R1.182 CCSc1cc(ccc1F)C 62a_100000736223_100000210202 [1,1,0,0,0,0|1,1,0]=4 9408 B11R1.182 CCSc1cc(ccc1F)Cl 62a_100000210202_100011218116 [1,1,0,0,0,0|1,1,0]=4 9409 B11R1.182 CCSc1cc(ccc1F)Cl 62a_100011218116_100000210202 [1,1,0,0,0,0|1,1,0]=4 9410 B11R1.182 CCSc1cc(ccc1F)F 62a_100000210202_100011219198 [1,1,0,0,0,0|1,1,0]=4 9411 B11R1.182 CCSc1cc(ccc1F)F 62a_100011219198_100000210202 [1,1,0,0,0,0|1,1,0]=4 9412 B11R1.182 CCSc1cc(ccc1F)N 62a_100000210202_100000760356 [1,1,0,0,0,0|1,1,0]=4 9413 B11R1.182 CCSc1cc(ccc1F)N 62a_100000760356_100000210202 [1,1,0,0,0,0|1,1,0]=4 9414 B11R1.182 CCSc1cc(ccc1F)O 62a_100000210202_100000693481 [1,1,0,0,0,0|1,1,0]=4 9415 B11R1.182 CCSc1cc(ccc1F)O 62a_100000693481_100000210202 [1,1,0,0,0,0|1,1,0]=4 9416 B11R1.182 CCSc1cc(ccc1N)Br 62a_100000187925_100000210202 [1,1,0,0,0,0|2,0,0]=4 9417 B11R1.182 CCSc1cc(ccc1N)Br 62a_100000210202_100000187925 [1,1,0,0,0,0|2,0,0]=4 9418 B11R1.182 CCSc1cc(ccc1N)C 62a_100000210202_100011356834 [1,1,0,0,0,0|2,0,0]=4 9419 B11R1.182 CCSc1cc(ccc1N)C 62a_100011356834_100000210202 [1,1,0,0,0,0|2,0,0]=4 9420 B11R1.182 CCSc1cc(ccc1N)Cl 62a_100000210202_100000761889 [1,1,0,0,0,0|2,0,0]=4 9421 B11R1.182 CCSc1cc(ccc1N)Cl 62a_100000761889_100000210202 [1,1,0,0,0,0|2,0,0]=4 9422 B11R1.182 CCSc1cc(ccc1N)F 62a_100000210202_100000760547 [1,1,0,0,0,0|2,0,0]=4 9423 B11R1.182 CCSc1cc(ccc1N)F 62a_100000760547_100000210202 [1,1,0,0,0,0|2,0,0]=4 9424 B11R1.182 CCSc1cc(ccc1N)N 62a_100000210202_100011534242 [1,1,0,0,0,0|2,0,0]=4 9425 B11R1.182 CCSc1cc(ccc1N)N 62a_100011534242_100000210202 [1,1,0,0,0,0|2,0,0]=4 9426 B11R1.182 CCSc1cc(ccc1N)O 62a_100000210202_100012001276 [1,1,0,0,0,0|2,0,0]=4 9427 B11R1.182 CCSc1cc(ccc1N)O 62a_100012001276_100000210202 [1,1,0,0,0,0|2,0,0]=4 9428 B11R1.182 CCSc1cc(ccc1O)Br 62a_100000210202_100012355227 [1,1,0,0,0,0|2,0,0]=4 9429 B11R1.182 CCSc1cc(ccc1O)Br 62a_100012355227_100000210202 [1,1,0,0,0,0|2,0,0]=4 9430 B11R1.182 CCSc1cc(ccc1O)C 62a_100000210202_100000765521 [1,1,0,0,0,0|2,0,0]=4 9431 B11R1.182 CCSc1cc(ccc1O)C 62a_100000765521_100000210202 [1,1,0,0,0,0|2,0,0]=4 9432 B11R1.182 CCSc1cc(ccc1O)Cl 62a_100000210202_100011356953 [1,1,0,0,0,0|2,0,0]=4 9433 B11R1.182 CCSc1cc(ccc1O)Cl 62a_100011356953_100000210202 [1,1,0,0,0,0|2,0,0]=4 9434 B11R1.182 CCSc1cc(ccc1O)F 62a_100000210202_100000211999 [1,1,0,0,0,0|2,0,0]=4 9435 B11R1.182 CCSc1cc(ccc1O)F 62a_100000211999_100000210202 [1,1,0,0,0,0|2,0,0]=4 9436 B11R1.182 CCSc1cc(ccc1O)N 62a_100000210202_100011534360 [1,1,0,0,0,0|2,0,0]=4 9437 B11R1.182 CCSc1cc(ccc1O)N 62a_100011534360_100000210202 [1,1,0,0,0,0|2,0,0]=4 9438 B11R1.182 CCSc1cc(ccc1O)O 62a_100000210202_100009813629 [1,1,0,0,0,0|2,0,0]=4 9439 B11R1.182 CCSc1cc(cnc1Cl)Br 62a_100000210202_100009814771 [1,1,0,0,0,0|2,0,0]=4 9440 B11R1.182 CCSc1cc(cnc1Cl)Br 62a_100009814771_100000210202 [1,1,0,0,0,0|2,0,0]=4 9441 B11R1.182 CCSc1cc(cnc1Cl)C 62a_100000210202_100010210167 [1,1,0,0,0,0|2,0,0]=4 9442 B11R1.182 CCSc1cc(cnc1Cl)C 62a_100010210167_100000210202 [1,1,0,0,0,0|2,0,0]=4 9443 B11R1.182 CCSc1cc(cnc1Cl)Cl 62a_100000210202_200000062399 [1,1,0,0,0,0|2,0,0]=4 9444 B11R1.182 CCSc1cc(cnc1Cl)Cl 62a_200000062399_100000210202 [1,1,0,0,0,0|2,0,0]=4 9445 B11R1.182 CCSc1cc(cnc1Cl)N 62a_100000210202_100010253917 [1,1,0,0,0,0|2,0,0]=4 9446 B11R1.182 CCSc1cc(cnc1Cl)N 62a_100010253917_100000210202 [1,1,0,0,0,0|2,0,0]=4 9447 B11R1.182 CCSc1cc(ncc1Cl)Br 62a_100000210202_100010223331 [1,1,0,0,0,0|2,0,0]=4 9448 B11R1.182 CCSc1cc(ncc1Cl)Br 62a_100010223331_100000210202 [1,1,0,0,0,0|2,0,0]=4 9449 B11R1.182 CCSc1cc(ncc1Cl)Cl 62a_100000210202_100010172835 [1,1,0,0,0,0|2,0,0]=4 9450 B11R1.182 CCSc1cc(ncc1Cl)Cl 62a_100010172835_100000210202 [1,1,0,0,0,0|2,0,0]=4 9451 B11R1.182 CCSc1cc(ncc1Cl)F 62a_100000210202_100009892587 [1,1,0,0,0,0|2,0,0]=4 9452 B11R1.182 CCSc1cc(ncc1Cl)F 62a_100009892587_100000210202 [1,1,0,0,0,0|2,0,0]=4 9453 B11R1.182 CCSc1cc(ncc1Cl)N 62a_100000210202_100010134119 [1,1,0,0,0,0|2,0,0]=4 9454 B11R1.182 CCSc1cc(ncc1Cl)N 62a_100010134119_100000210202 [1,1,0,0,0,0|2,0,0]=4 9455 B11R1.182 CNCc1cc(c[nH]c1=O)F 207a_100102657272_100000137007 [1,1,0,0,0,0|2,0,0]=4 9456 B11R1.182 CNCc1cc(c[nH]c1=O)F 270004a_106832991635_100000137007 [1,1,0,0,0,0|2,0,0]=4 9457 B11R1.182 CNCc1cc(ccc1Br)Br 207a_100102657272_100011266429 [1,1,0,0,0,0|0,1,0]=3 9458 B11R1.182 CNCc1cc(ccc1Br)Br 2230a_106832991635_100011982794 [1,1,0,0,0,0|0,1,0]=3 9459 B11R1.182 CNCc1cc(ccc1Br)Br 26a_100102657272_100011220040 [1,1,0,0,0,0|0,1,0]=3 9460 B11R1.182 CNCc1cc(ccc1Br)Br 270004a_106832991635_100011266429 [1,1,0,0,0,0|0,1,0]=3 9461 B11R1.182 CNCc1cc(ccc1Br)Br 34a_100000707832_200000210301 [1,1,0,0,0,0|0,1,0]=3 9462 B11R1.182 CNCc1cc(ccc1Br)Br 34a_100102657272_100011982794 [1,1,0,0,0,0|0,1,0]=3 9463 B11R1.182 CNCc1cc(ccc1Br)Br 7a_106832991635_100011982794 [1,1,0,0,0,0|0,1,0]=3 9464 B11R1.182 CNCc1cc(ccc1Br)C 207a_100102657272_100011551863 [1,1,0,0,0,0|0,1,0]=3 9465 B11R1.182 CNCc1cc(ccc1Br)C 26a_100102657272_100012002257 [1,1,0,0,0,0|0,1,0]=3 9466 B11R1.182 CNCc1cc(ccc1Br)C 270004a_106832991635_100011551863 [1,1,0,0,0,0|0,1,0]=3 9467 B11R1.182 CNCc1cc(ccc1Br)Cl 207a_100102657272_100000746314 [1,1,0,0,0,0|0,1,0]=3 9468 B11R1.182 CNCc1cc(ccc1Br)Cl 2230a_106832991635_100000733903 [1,1,0,0,0,0|0,1,0]=3 9469 B11R1.182 CNCc1cc(ccc1Br)Cl 26a_100102657272_100012339455 [1,1,0,0,0,0|0,1,0]=3 9470 B11R1.182 CNCc1cc(ccc1Br)Cl 270004a_106832991635_100000746314 [1,1,0,0,0,0|0,1,0]=3 9471 B11R1.182 CNCc1cc(ccc1Br)Cl 34a_100102657272_100000733903 [1,1,0,0,0,0|0,1,0]=3 9472 B11R1.182 CNCc1cc(ccc1Br)Cl 7a_106832991635_100000733903 [1,1,0,0,0,0|0,1,0]=3 9473 B11R1.182 CNCc1cc(ccc1Br)F 207a_100102657272_100000766564 [1,1,0,0,0,0|0,1,0]=3 9474 B11R1.182 CNCc1cc(ccc1Br)F 2230a_100000742738_200000210301 [1,1,0,0,0,0|0,1,0]=3 9475 B11R1.182 CNCc1cc(ccc1Br)F 2230a_106832991635_100000736370 [1,1,0,0,0,0|0,1,0]=3 9476 B11R1.182 CNCc1cc(ccc1Br)F 26a_100102657272_100000690578 [1,1,0,0,0,0|0,1,0]=3 9477 B11R1.182 CNCc1cc(ccc1Br)F 270004a_106832991635_100000766564 [1,1,0,0,0,0|0,1,0]=3 9478 B11R1.182 CNCc1cc(ccc1Br)F 34a_100000742738_200000210301 [1,1,0,0,0,0|0,1,0]=3 9479 B11R1.182 CNCc1cc(ccc1Br)F 34a_100102657272_100000736370 [1,1,0,0,0,0|0,1,0]=3 9480 B11R1.182 CNCc1cc(ccc1Br)F 7a_106832991635_100000736370 [1,1,0,0,0,0|0,1,0]=3 9481 B11R1.182 CNCc1cc(ccc1Br)I 207a_100102657272_100010185652 [1,1,0,0,0,0|0,1,0]=3 9482 B11R1.182 CNCc1cc(ccc1Br)I 2230a_106832991635_100012355412 [1,1,0,0,0,0|0,1,0]=3 9483 B11R1.182 CNCc1cc(ccc1Br)I 26a_100102657272_100012356990 [1,1,0,0,0,0|0,1,0]=3 9484 B11R1.182 CNCc1cc(ccc1Br)I 34a_100102657272_100012355412 [1,1,0,0,0,0|0,1,0]=3 9485 B11R1.182 CNCc1cc(ccc1Br)I 7a_106832991635_100012355412 [1,1,0,0,0,0|0,1,0]=3 9486 B11R1.182 CNCc1cc(ccc1C)Br 207a_100102657272_100011361606 [1,1,0,0,0,0|1,0,0]=3 9487 B11R1.182 CNCc1cc(ccc1C)Br 26a_100102657272_100000685420 [1,1,0,0,0,0|1,0,0]=3 9488 B11R1.182 CNCc1cc(ccc1C)Br 270004a_106832991635_100011361606 [1,1,0,0,0,0|1,0,0]=3 9489 B11R1.182 CNCc1cc(ccc1C)C 207a_100102657272_100000211343 [1,1,0,0,0,0|1,0,0]=3 9490 B11R1.182 CNCc1cc(ccc1C)C 2230a_106832991635_100000184699 [1,1,0,0,0,0|1,0,0]=3 9491 B11R1.182 CNCc1cc(ccc1C)C 270004a_106832991635_100000211343 [1,1,0,0,0,0|1,0,0]=3 9492 B11R1.182 CNCc1cc(ccc1C)C 34a_100000174964_200000210301 [1,1,0,0,0,0|1,0,0]=3 9493 B11R1.182 CNCc1cc(ccc1C)C 34a_100102657272_100000184699 [1,1,0,0,0,0|1,0,0]=3 9494 B11R1.182 CNCc1cc(ccc1C)C 7a_106832991635_100000184699 [1,1,0,0,0,0|1,0,0]=3 9495 B11R1.182 CNCc1cc(ccc1C)Cl 207a_100102657272_100011551331 [1,1,0,0,0,0|1,0,0]=3 9496 B11R1.182 CNCc1cc(ccc1C)Cl 2230a_106832991635_100012186985 [1,1,0,0,0,0|1,0,0]=3 9497 B11R1.182 CNCc1cc(ccc1C)Cl 270004a_106832991635_100011551331 [1,1,0,0,0,0|1,0,0]=3 9498 B11R1.182 CNCc1cc(ccc1C)Cl 34a_100000717755_200000210301 [1,1,0,0,0,0|1,0,0]=3 9499 B11R1.182 CNCc1cc(ccc1C)Cl 34a_100102657272_100012186985 [1,1,0,0,0,0|1,0,0]=3 9500 B11R1.182 CNCc1cc(ccc1C)Cl 7a_106832991635_100012186985 [1,1,0,0,0,0|1,0,0]=3 9501 B11R1.182 CNCc1cc(ccc1C)F 207a_100102657272_100000697687 [1,1,0,0,0,0|1,0,0]=3 9502 B11R1.182 CNCc1cc(ccc1C)F 2230a_106832991635_100000709795 [1,1,0,0,0,0|1,0,0]=3 9503 B11R1.182 CNCc1cc(ccc1C)F 270004a_106832991635_100000697687 [1,1,0,0,0,0|1,0,0]=3 9504 B11R1.182 CNCc1cc(ccc1C)F 34a_100011217291_200000210301 [1,1,0,0,0,0|1,0,0]=3 9505 B11R1.182 CNCc1cc(ccc1C)F 34a_100102657272_100000709795 [1,1,0,0,0,0|1,0,0]=3 9506 B11R1.182 CNCc1cc(ccc1C)F 7a_106832991635_100000709795 [1,1,0,0,0,0|1,0,0]=3 9507 B11R1.182 CNCc1cc(ccc1C)O 271570a_203496583355_106744473289 [1,1,0,0,0,0|1,0,0]=3 9508 B11R1.182 CNCc1cc(ccc1C)O 34a_200009844824_200000210301 [1,1,0,0,0,0|1,0,0]=3 9509 B11R1.182 CNCc1cc(ccc1Cl)Br 207a_100102657272_100000746309 [1,1,0,0,0,0|0,0,0]=2 9510 B11R1.182 CNCc1cc(ccc1Cl)Br 2230a_106832991635_100000763347 [1,1,0,0,0,0|0,0,0]=2 9511 B11R1.182 CNCc1cc(ccc1Cl)Br 26a_100102657272_100000738945 [1,1,0,0,0,0|0,0,0]=2 9512 B11R1.182 CNCc1cc(ccc1Cl)Br 270004a_106832991635_100000746309 [1,1,0,0,0,0|0,0,0]=2 9513 B11R1.182 CNCc1cc(ccc1Cl)Br 34a_100025772652_200000210301 [1,1,0,0,0,0|0,0,0]=2 9514 B11R1.182 CNCc1cc(ccc1Cl)Br 34a_100102657272_100000763347 [1,1,0,0,0,0|0,0,0]=2 9515 B11R1.182 CNCc1cc(ccc1Cl)Br 7a_106832991635_100000763347 [1,1,0,0,0,0|0,0,0]=2 9516 B11R1.182 CNCc1cc(ccc1Cl)C 207a_100102657272_100011551332 [1,1,0,0,0,0|0,0,0]=2 9517 B11R1.182 CNCc1cc(ccc1Cl)C 2230a_100025705715_200000210301 [1,1,0,0,0,0|0,0,0]=2 9518 B11R1.182 CNCc1cc(ccc1Cl)C 2230a_106832991635_100009871730 [1,1,0,0,0,0|0,0,0]=2 9519 B11R1.182 CNCc1cc(ccc1Cl)C 26a_100102657272_100000211493 [1,1,0,0,0,0|0,0,0]=2 9520 B11R1.182 CNCc1cc(ccc1Cl)C 270004a_106832991635_100011551332 [1,1,0,0,0,0|0,0,0]=2 9521 B11R1.182 CNCc1cc(ccc1Cl)C 34a_100025705715_200000210301 [1,1,0,0,0,0|0,0,0]=2 9522 B11R1.182 CNCc1cc(ccc1Cl)C 34a_100102657272_100009871730 [1,1,0,0,0,0|0,0,0]=2 9523 B11R1.182 CNCc1cc(ccc1Cl)C 7a_106832991635_100009871730 [1,1,0,0,0,0|0,0,0]=2 9524 B11R1.182 CNCc1cc(ccc1Cl)Cl 207a_100102657272_100000746308 [1,1,0,0,0,0|0,0,0]=2 9525 B11R1.182 CNCc1cc(ccc1Cl)Cl 2230a_106832991635_100000756322 [1,1,0,0,0,0|0,0,0]=2 9526 B11R1.182 CNCc1cc(ccc1Cl)Cl 26a_100102657272_100000211422 [1,1,0,0,0,0|0,0,0]=2 9527 B11R1.182 CNCc1cc(ccc1Cl)Cl 270004a_106832991635_100000746308 [1,1,0,0,0,0|0,0,0]=2 9528 B11R1.182 CNCc1cc(ccc1Cl)Cl 34a_100102657272_100000756322 [1,1,0,0,0,0|0,0,0]=2 9529 B11R1.182 CNCc1cc(ccc1Cl)Cl 34a_100102946428_200000210301 [1,1,0,0,0,0|0,0,0]=2 9530 B11R1.182 CNCc1cc(ccc1Cl)Cl 7a_106832991635_100000756322 [1,1,0,0,0,0|0,0,0]=2 9531 B11R1.182 CNCc1cc(ccc1Cl)F 207a_100102657272_100011218309 [1,1,0,0,0,0|0,0,0]=2 9532 B11R1.182 CNCc1cc(ccc1Cl)F 2230a_100011830483_200000210301 [1,1,0,0,0,0|0,0,0]=2 9533 B11R1.182 CNCc1cc(ccc1Cl)F 2230a_106832991635_100000709952 [1,1,0,0,0,0|0,0,0]=2 9534 B11R1.182 CNCc1cc(ccc1Cl)F 26a_100102657272_100000692107 [1,1,0,0,0,0|0,0,0]=2 9535 B11R1.182 CNCc1cc(ccc1Cl)F 270004a_106832991635_100011218309 [1,1,0,0,0,0|0,0,0]=2 9536 B11R1.182 CNCc1cc(ccc1Cl)F 34a_100011830483_200000210301 [1,1,0,0,0,0|0,0,0]=2 9537 B11R1.182 CNCc1cc(ccc1Cl)F 34a_100102657272_100000709952 [1,1,0,0,0,0|0,0,0]=2 9538 B11R1.182 CNCc1cc(ccc1Cl)F 7a_106832991635_100000709952 [1,1,0,0,0,0|0,0,0]=2 9539 B11R1.182 CNCc1cc(ccc1Cl)I 207a_100102657272_100010254384 [1,1,0,0,0,0|0,0,0]=2 9540 B11R1.182 CNCc1cc(ccc1Cl)I 2230a_106832991635_100010188191 [1,1,0,0,0,0|0,0,0]=2 9541 B11R1.182 CNCc1cc(ccc1Cl)I 34a_100102657272_100010188191 [1,1,0,0,0,0|0,0,0]=2 9542 B11R1.182 CNCc1cc(ccc1Cl)I 7a_106832991635_100010188191 [1,1,0,0,0,0|0,0,0]=2 9543 B11R1.182 CNCc1cc(ccc1F)Br 207a_100102657272_100000211465 [1,1,0,0,0,0|0,1,0]=3 9544 B11R1.182 CNCc1cc(ccc1F)Br 2230a_106832991635_100000736399 [1,1,0,0,0,0|0,1,0]=3 9545 B11R1.182 CNCc1cc(ccc1F)Br 26a_100102657272_100000686035 [1,1,0,0,0,0|0,1,0]=3 9546 B11R1.182 CNCc1cc(ccc1F)Br 270004a_106832991635_100000211465 [1,1,0,0,0,0|0,1,0]=3 9547 B11R1.182 CNCc1cc(ccc1F)Br 34a_100009815772_200000210301 [1,1,0,0,0,0|0,1,0]=3 9548 B11R1.182 CNCc1cc(ccc1F)Br 34a_100102657272_100000736399 [1,1,0,0,0,0|0,1,0]=3 9549 B11R1.182 CNCc1cc(ccc1F)Br 7a_106832991635_100000736399 [1,1,0,0,0,0|0,1,0]=3 9550 B11R1.182 CNCc1cc(ccc1F)C 207a_100102657272_100000756917 [1,1,0,0,0,0|0,1,0]=3 9551 B11R1.182 CNCc1cc(ccc1F)C 2230a_106832991635_100011260760 [1,1,0,0,0,0|0,1,0]=3 9552 B11R1.182 CNCc1cc(ccc1F)C 270004a_106832991635_100000756917 [1,1,0,0,0,0|0,1,0]=3 9553 B11R1.182 CNCc1cc(ccc1F)C 34a_100102657272_100011260760 [1,1,0,0,0,0|0,1,0]=3 9554 B11R1.182 CNCc1cc(ccc1F)C 34a_100102693586_200000210301 [1,1,0,0,0,0|0,1,0]=3 9555 B11R1.182 CNCc1cc(ccc1F)C 7a_106832991635_100011260760 [1,1,0,0,0,0|0,1,0]=3 9556 B11R1.182 CNCc1cc(ccc1F)Cl 207a_100102657272_100000745245 [1,1,0,0,0,0|0,1,0]=3 9557 B11R1.182 CNCc1cc(ccc1F)Cl 2230a_106832991635_100000716957 [1,1,0,0,0,0|0,1,0]=3 9558 B11R1.182 CNCc1cc(ccc1F)Cl 270004a_106832991635_100000745245 [1,1,0,0,0,0|0,1,0]=3 9559 B11R1.182 CNCc1cc(ccc1F)Cl 34a_100011211646_200000210301 [1,1,0,0,0,0|0,1,0]=3 9560 B11R1.182 CNCc1cc(ccc1F)Cl 34a_100102657272_100000716957 [1,1,0,0,0,0|0,1,0]=3 9561 B11R1.182 CNCc1cc(ccc1F)Cl 7a_106832991635_100000716957 [1,1,0,0,0,0|0,1,0]=3 9562 B11R1.182 CNCc1cc(ccc1F)F 207a_100102657272_100000740046 [1,1,0,0,0,0|0,1,0]=3 9563 B11R1.182 CNCc1cc(ccc1F)F 2230a_106832991635_100000741279 [1,1,0,0,0,0|0,1,0]=3 9564 B11R1.182 CNCc1cc(ccc1F)F 270004a_106832991635_100000740046 [1,1,0,0,0,0|0,1,0]=3 9565 B11R1.182 CNCc1cc(ccc1F)F 34a_100000752317_200000210301 [1,1,0,0,0,0|0,1,0]=3 9566 B11R1.182 CNCc1cc(ccc1F)F 34a_100102657272_100000741279 [1,1,0,0,0,0|0,1,0]=3 9567 B11R1.182 CNCc1cc(ccc1F)F 7a_106832991635_100000741279 [1,1,0,0,0,0|0,1,0]=3 9568 B11R1.182 CNCc1cc(ccc1F)I 207a_100102657272_100000050626 [1,1,0,0,0,0|0,1,0]=3 9569 B11R1.182 CNCc1cc(ccc1F)I 2230a_106832991635_200010149601 [1,1,0,0,0,0|0,1,0]=3 9570 B11R1.182 CNCc1cc(ccc1F)I 34a_100102657272_200010149601 [1,1,0,0,0,0|0,1,0]=3 9571 B11R1.182 CNCc1cc(ccc1F)I 7a_106832991635_200010149601 [1,1,0,0,0,0|0,1,0]=3 9572 B11R1.182 CNCc1cc(ccc1F)O 271570a_203496583355_100000748472 [1,1,0,0,0,0|0,1,0]=3 9573 B11R1.182 CNCc1cc(ccc1I)Br 207a_100102657272_100010185651 [1,1,0,0,0,0|0,1,0]=3 9574 B11R1.182 CNCc1cc(ccc1I)Br 2230a_106832991635_100012362523 [1,1,0,0,0,0|0,1,0]=3 9575 B11R1.182 CNCc1cc(ccc1I)Br 26a_100102657272_100012344904 [1,1,0,0,0,0|0,1,0]=3 9576 B11R1.182 CNCc1cc(ccc1I)Br 270004a_106832991635_100010185651 [1,1,0,0,0,0|0,1,0]=3 9577 B11R1.182 CNCc1cc(ccc1I)Br 34a_100102657272_100012362523 [1,1,0,0,0,0|0,1,0]=3 9578 B11R1.182 CNCc1cc(ccc1I)Br 7a_106832991635_100012362523 [1,1,0,0,0,0|0,1,0]=3 9579 B11R1.182 CNCc1cc(ccc1I)C 207a_100102657272_100010150105 [1,1,0,0,0,0|0,1,0]=3 9580 B11R1.182 CNCc1cc(ccc1I)C 270004a_106832991635_100010150105 [1,1,0,0,0,0|0,1,0]=3 9581 B11R1.182 CNCc1cc(ccc1I)Cl 207a_100102657272_100010254386 [1,1,0,0,0,0|0,1,0]=3 9582 B11R1.182 CNCc1cc(ccc1I)Cl 2230a_106832991635_100012348826 [1,1,0,0,0,0|0,1,0]=3 9583 B11R1.182 CNCc1cc(ccc1I)Cl 270004a_106832991635_100010254386 [1,1,0,0,0,0|0,1,0]=3 9584 B11R1.182 CNCc1cc(ccc1I)Cl 34a_100102657272_100012348826 [1,1,0,0,0,0|0,1,0]=3 9585 B11R1.182 CNCc1cc(ccc1I)Cl 7a_106832991635_100012348826 [1,1,0,0,0,0|0,1,0]=3 9586 B11R1.182 CNCc1cc(ccc1I)F 207a_100102657272_100010186294 [1,1,0,0,0,0|0,1,0]=3 9587 B11R1.182 CNCc1cc(ccc1I)F 2230a_106832991635_100010149606 [1,1,0,0,0,0|0,1,0]=3 9588 B11R1.182 CNCc1cc(ccc1I)F 270004a_106832991635_100010186294 [1,1,0,0,0,0|0,1,0]=3 9589 B11R1.182 CNCc1cc(ccc1I)F 34a_100102657272_100010149606 [1,1,0,0,0,0|0,1,0]=3 9590 B11R1.182 CNCc1cc(ccc1I)F 7a_106832991635_100010149606 [1,1,0,0,0,0|0,1,0]=3 9591 B11R1.182 CNCc1cc(ccc1O)Br 34a_100000730032_200000210301 [1,1,0,0,0,0|1,0,0]=3 9592 B11R1.182 CNCc1cc(ccc1O)Cl 34a_100000238540_200000210301 [1,1,0,0,0,0|1,0,0]=3 9593 B11R1.182 CNCc1cc(ccc1O)F 34a_100102657272_100010161318 [1,1,0,0,0,0|1,0,0]=3 9594 B11R1.182 CNCc1cc(ccc1O)F 7a_106832991635_100010161318 [1,1,0,0,0,0|1,0,0]=3 9595 B11R1.182 CNCc1cc(ccc1O)O 271570a_203496583355_100011602694 [1,1,0,0,0,0|1,0,0]=3 9596 B11R1.182 CNCc1cc(cnc1Br)Br 207a_100102657272_100010177830 [1,1,0,0,0,0|1,1,0]=4 9597 B11R1.182 CNCc1cc(cnc1Br)Br 2230a_106832991635_100010253922 [1,1,0,0,0,0|1,1,0]=4 9598 B11R1.182 CNCc1cc(cnc1Br)Br 34a_100102657272_100010253922 [1,1,0,0,0,0|1,1,0]=4 9599 B11R1.182 CNCc1cc(cnc1Br)Br 7a_106832991635_100010253922 [1,1,0,0,0,0|1,1,0]=4 9600 B11R1.182 CNCc1cc(cnc1Br)F 2230a_100010760786_200000210301 [1,1,0,0,0,0|1,1,0]=4 9601 B11R1.182 CNCc1cc(cnc1Br)F 34a_100010760786_200000210301 [1,1,0,0,0,0|1,1,0]=4 9602 B11R1.182 CNCc1cc(cnc1C)Cl 207a_100102657272_100000100030 [1,1,0,0,0,0|2,0,0]=4 9603 B11R1.182 CNCc1cc(cnc1C)Cl 270004a_106832991635_100000100030 [1,1,0,0,0,0|2,0,0]=4 9604 B11R1.182 CNCc1cc(cnc1Cl)Br 207a_100102657272_100009816941 [1,1,0,0,0,0|1,0,0]=3 9605 B11R1.182 CNCc1cc(cnc1Cl)Br 2230a_106832991635_100009816982 [1,1,0,0,0,0|1,0,0]=3 9606 B11R1.182 CNCc1cc(cnc1Cl)Br 34a_100102657272_100009816982 [1,1,0,0,0,0|1,0,0]=3 9607 B11R1.182 CNCc1cc(cnc1Cl)Br 7a_106832991635_100009816982 [1,1,0,0,0,0|1,0,0]=3 9608 B11R1.182 CNCc1cc(cnc1Cl)C 207a_100102657272_100000050350 [1,1,0,0,0,0|1,0,0]=3 9609 B11R1.182 CNCc1cc(cnc1Cl)Cl 207a_100102657272_100000086932 [1,1,0,0,0,0|1,0,0]=3 9610 B11R1.182 CNCc1cc(cnc1Cl)F 207a_100102657272_100000079965 [1,1,0,0,0,0|1,0,0]=3 9611 B11R1.182 CNCc1cc(cnc1F)C 207a_100102657272_100009854360 [1,1,0,0,0,0|1,1,0]=4 9612 B11R1.182 CNCc1cc(cnc1O)Br 207a_100102657272_100010064889 [1,1,0,0,0,0|2,0,0]=4 9613 B11R1.182 CNCc1cc(cnc1O)Br 270004a_106832991635_100010064889 [1,1,0,0,0,0|2,0,0]=4 9614 B11R1.182 CNCc1cc(ncc1Br)Br 270004a_106832991635_100010230906 [1,1,0,0,0,0|1,1,0]=4 9615 B11R1.182 CNCc1cc(ncc1Cl)Br 270004a_106832991635_100010214479 [1,1,0,0,0,0|1,0,0]=3 9616 B11R1.182 CNCc1cc(ncc1Cl)Cl 270004a_106832991635_100000050890 [1,1,0,0,0,0|1,0,0]=3 9617 B11R1.182 CNCc1cc(ncc1F)Br 270004a_106832991635_100000707870 [1,1,0,0,0,0|1,1,0]=4 9618 B11R1.182 CNCc1nc(ccc1Br)C 207a_100102657272_100010173661 [1,1,0,0,0,0|1,1,0]=4 9619 B11R1.182 CNCc1nc(ccc1Br)C 270004a_106832991635_100010173661 [1,1,0,0,0,0|1,1,0]=4 9620 B11R1.182 CNCc1nc(ccc1Br)Cl 270004a_106832991635_100000734296 [1,1,0,0,0,0|1,1,0]=4 9621 B11R1.182 CNCc1nc(ccc1Cl)C 2230a_106832991635_200009852033 [1,1,0,0,0,0|1,0,0]=3 9622 B11R1.182 CNCc1nc(ccc1Cl)C 34a_100102657272_200009852033 [1,1,0,0,0,0|1,0,0]=3 9623 B11R1.182 CNCc1nc(ccc1Cl)C 7a_106832991635_200009852033 [1,1,0,0,0,0|1,0,0]=3 9624 B11R1.182 CNCc1nc(ccc1Cl)Cl 2230a_106832991635_100000059412 [1,1,0,0,0,0|1,0,0]=3 9625 B11R1.182 CNCc1nc(ccc1Cl)Cl 270004a_106832991635_100011935248 [1,1,0,0,0,0|1,0,0]=3 9626 B11R1.182 CNCc1nc(ccc1Cl)Cl 34a_100102657272_100000059412 [1,1,0,0,0,0|1,0,0]=3 9627 B11R1.182 CNCc1nc(ccc1Cl)Cl 7a_106832991635_100000059412 [1,1,0,0,0,0|1,0,0]=3 9628 B11R1.182 CNCc1nc(ccc1F)Br 2230a_106832991635_100010065826 [1,1,0,0,0,0|1,1,0]=4 9629 B11R1.182 CNCc1nc(ccc1F)Br 270004a_106832991635_100009814804 [1,1,0,0,0,0|1,1,0]=4 9630 B11R1.182 CNCc1nc(ccc1F)Br 34a_100102657272_100010065826 [1,1,0,0,0,0|1,1,0]=4 9631 B11R1.182 CNCc1nc(ccc1F)Br 7a_106832991635_100010065826 [1,1,0,0,0,0|1,1,0]=4 9632 B11R1.182 CNCc1nc(ccc1F)Cl 2230a_100009887702_200000210301 [1,1,0,0,0,0|1,1,0]=4 9633 B11R1.182 CNCc1nc(ccc1F)Cl 2230a_106832991635_100009881012 [1,1,0,0,0,0|1,1,0]=4 9634 B11R1.182 CNCc1nc(ccc1F)Cl 270004a_106832991635_100000050918 [1,1,0,0,0,0|1,1,0]=4 9635 B11R1.182 CNCc1nc(ccc1F)Cl 34a_100009887702_200000210301 [1,1,0,0,0,0|1,1,0]=4 9636 B11R1.182 CNCc1nc(ccc1F)Cl 34a_100102657272_100009881012 [1,1,0,0,0,0|1,1,0]=4 9637 B11R1.182 CNCc1nc(ccc1F)Cl 7a_106832991635_100009881012 [1,1,0,0,0,0|1,1,0]=4 9638 B11R1.182 CNCc1nc(ccc1O)C 2230a_106832991635_100020630696 [1,1,0,0,0,0|2,0,0]=4 9639 B11R1.182 CNCc1nc(ccc1O)C 34a_100102657272_100020630696 [1,1,0,0,0,0|2,0,0]=4 9640 B11R1.182 CNCc1nc(ccc1O)C 7a_106832991635_100020630696 [1,1,0,0,0,0|2,0,0]=4 9641 B11R1.182 COCc1cc(ccc1Br)Br 34a_100011266457_200000210301 [1,1,0,0,0,0|1,1,0]=4 9642 B11R1.182 COCc1cc(ccc1Br)Br 34a_100138415774_100011982794 [1,1,0,0,0,0|1,1,0]=4 9643 B11R1.182 COCc1cc(ccc1Br)Br 7a_100011266457_200000210301 [1,1,0,0,0,0|1,1,0]=4 9644 B11R1.182 COCc1cc(ccc1Br)C 34a_100012361352_200000210301 [1,1,0,0,0,0|1,1,0]=4 9645 B11R1.182 COCc1cc(ccc1Br)C 7a_100012361352_200000210301 [1,1,0,0,0,0|1,1,0]=4 9646 B11R1.182 COCc1cc(ccc1Br)Cl 34a_100012355668_200000210301 [1,1,0,0,0,0|1,1,0]=4 9647 B11R1.182 COCc1cc(ccc1Br)Cl 34a_100138415774_100000733903 [1,1,0,0,0,0|1,1,0]=4 9648 B11R1.182 COCc1cc(ccc1Br)Cl 7a_100012355668_200000210301 [1,1,0,0,0,0|1,1,0]=4 9649 B11R1.182 COCc1cc(ccc1Br)F 34a_100011217561_200000210301 [1,1,0,0,0,0|1,1,0]=4 9650 B11R1.182 COCc1cc(ccc1Br)F 34a_100138415774_100000736370 [1,1,0,0,0,0|1,1,0]=4 9651 B11R1.182 COCc1cc(ccc1Br)F 7a_100011217561_200000210301 [1,1,0,0,0,0|1,1,0]=4 9652 B11R1.182 COCc1cc(ccc1Br)I 34a_100138415774_100012355412 [1,1,0,0,0,0|1,1,0]=4 9653 B11R1.182 COCc1cc(ccc1Br)I 7a_100012359683_200000210301 [1,1,0,0,0,0|1,1,0]=4 9654 B11R1.182 COCc1cc(ccc1Br)N 34a_100012347228_200000210301 [1,1,0,0,0,0|1,1,0]=4 9655 B11R1.182 COCc1cc(ccc1Br)O 271570a_203496583355_202125822959 [1,1,0,0,0,0|1,1,0]=4 9656 B11R1.182 COCc1cc(ccc1C)Br 34a_100000700630_200000210301 [1,1,0,0,0,0|2,0,0]=4 9657 B11R1.182 COCc1cc(ccc1C)Br 7a_100000700630_200000210301 [1,1,0,0,0,0|2,0,0]=4 9658 B11R1.182 COCc1cc(ccc1C)C 34a_100138415774_100000184699 [1,1,0,0,0,0|2,0,0]=4 9659 B11R1.182 COCc1cc(ccc1C)C 34a_200011215349_200000210301 [1,1,0,0,0,0|2,0,0]=4 9660 B11R1.182 COCc1cc(ccc1C)C 7a_200011215349_200000210301 [1,1,0,0,0,0|2,0,0]=4 9661 B11R1.182 COCc1cc(ccc1C)Cl 34a_100012002407_200000210301 [1,1,0,0,0,0|2,0,0]=4 9662 B11R1.182 COCc1cc(ccc1C)Cl 34a_100138415774_100012186985 [1,1,0,0,0,0|2,0,0]=4 9663 B11R1.182 COCc1cc(ccc1C)Cl 7a_100012002407_200000210301 [1,1,0,0,0,0|2,0,0]=4 9664 B11R1.182 COCc1cc(ccc1C)F 34a_100011219218_200000210301 [1,1,0,0,0,0|2,0,0]=4 9665 B11R1.182 COCc1cc(ccc1C)F 34a_100138415774_100000709795 [1,1,0,0,0,0|2,0,0]=4 9666 B11R1.182 COCc1cc(ccc1C)F 7a_100011219218_200000210301 [1,1,0,0,0,0|2,0,0]=4 9667 B11R1.182 COCc1cc(ccc1C)I 34a_100010150140_200000210301 [1,1,0,0,0,0|2,0,0]=4 9668 B11R1.182 COCc1cc(ccc1C)I 7a_100010150140_200000210301 [1,1,0,0,0,0|2,0,0]=4 9669 B11R1.182 COCc1cc(ccc1Cl)Br 34a_100011215897_200000210301 [1,1,0,0,0,0|1,0,0]=3 9670 B11R1.182 COCc1cc(ccc1Cl)Br 34a_100138415774_100000763347 [1,1,0,0,0,0|1,0,0]=3 9671 B11R1.182 COCc1cc(ccc1Cl)Br 7a_100011215897_200000210301 [1,1,0,0,0,0|1,0,0]=3 9672 B11R1.182 COCc1cc(ccc1Cl)C 34a_100009878994_200000210301 [1,1,0,0,0,0|1,0,0]=3 9673 B11R1.182 COCc1cc(ccc1Cl)C 34a_100138415774_100009871730 [1,1,0,0,0,0|1,0,0]=3 9674 B11R1.182 COCc1cc(ccc1Cl)C 7a_100009878994_200000210301 [1,1,0,0,0,0|1,0,0]=3 9675 B11R1.182 COCc1cc(ccc1Cl)Cl 34a_100000698905_200000210301 [1,1,0,0,0,0|1,0,0]=3 9676 B11R1.182 COCc1cc(ccc1Cl)Cl 34a_100138415774_100000756322 [1,1,0,0,0,0|1,0,0]=3 9677 B11R1.182 COCc1cc(ccc1Cl)Cl 7a_100000698905_200000210301 [1,1,0,0,0,0|1,0,0]=3 9678 B11R1.182 COCc1cc(ccc1Cl)F 34a_100011218361_200000210301 [1,1,0,0,0,0|1,0,0]=3 9679 B11R1.182 COCc1cc(ccc1Cl)F 34a_100138415774_100000709952 [1,1,0,0,0,0|1,0,0]=3 9680 B11R1.182 COCc1cc(ccc1Cl)F 7a_100011218361_200000210301 [1,1,0,0,0,0|1,0,0]=3 9681 B11R1.182 COCc1cc(ccc1Cl)I 34a_100010128486_200000210301 [1,1,0,0,0,0|1,0,0]=3 9682 B11R1.182 COCc1cc(ccc1Cl)I 34a_100138415774_100010188191 [1,1,0,0,0,0|1,0,0]=3 9683 B11R1.182 COCc1cc(ccc1Cl)I 7a_100010128486_200000210301 [1,1,0,0,0,0|1,0,0]=3 9684 B11R1.182 COCc1cc(ccc1Cl)N 34a_100011273577_200000210301 [1,1,0,0,0,0|1,0,0]=3 9685 B11R1.182 COCc1cc(ccc1F)Br 34a_100000246282_200000210301 [1,1,0,0,0,0|1,1,0]=4 9686 B11R1.182 COCc1cc(ccc1F)Br 34a_100138415774_100000736399 [1,1,0,0,0,0|1,1,0]=4 9687 B11R1.182 COCc1cc(ccc1F)Br 7a_100000246282_200000210301 [1,1,0,0,0,0|1,1,0]=4 9688 B11R1.182 COCc1cc(ccc1F)C 34a_100011692775_200000210301 [1,1,0,0,0,0|1,1,0]=4 9689 B11R1.182 COCc1cc(ccc1F)C 34a_100138415774_100011260760 [1,1,0,0,0,0|1,1,0]=4 9690 B11R1.182 COCc1cc(ccc1F)C 7a_100011692775_200000210301 [1,1,0,0,0,0|1,1,0]=4 9691 B11R1.182 COCc1cc(ccc1F)Cl 34a_100011217248_200000210301 [1,1,0,0,0,0|1,1,0]=4 9692 B11R1.182 COCc1cc(ccc1F)Cl 34a_100138415774_100000716957 [1,1,0,0,0,0|1,1,0]=4 9693 B11R1.182 COCc1cc(ccc1F)Cl 7a_100011217248_200000210301 [1,1,0,0,0,0|1,1,0]=4 9694 B11R1.182 COCc1cc(ccc1F)F 34a_100011217725_200000210301 [1,1,0,0,0,0|1,1,0]=4 9695 B11R1.182 COCc1cc(ccc1F)F 34a_100138415774_100000741279 [1,1,0,0,0,0|1,1,0]=4 9696 B11R1.182 COCc1cc(ccc1F)F 7a_100011217725_200000210301 [1,1,0,0,0,0|1,1,0]=4 9697 B11R1.182 COCc1cc(ccc1F)I 34a_100000049604_200000210301 [1,1,0,0,0,0|1,1,0]=4 9698 B11R1.182 COCc1cc(ccc1F)I 34a_100138415774_200010149601 [1,1,0,0,0,0|1,1,0]=4 9699 B11R1.182 COCc1cc(ccc1F)I 7a_100000049604_200000210301 [1,1,0,0,0,0|1,1,0]=4 9700 B11R1.182 COCc1cc(ccc1F)N 34a_100011218011_200000210301 [1,1,0,0,0,0|1,1,0]=4 9701 B11R1.182 COCc1cc(ccc1F)O 271570a_203496583355_100010140362 [1,1,0,0,0,0|1,1,0]=4 9702 B11R1.182 COCc1cc(ccc1I)Br 34a_100011356890_200000210301 [1,1,0,0,0,0|1,1,0]=4 9703 B11R1.182 COCc1cc(ccc1I)Br 34a_100138415774_100012362523 [1,1,0,0,0,0|1,1,0]=4 9704 B11R1.182 COCc1cc(ccc1I)Br 7a_100011356890_200000210301 [1,1,0,0,0,0|1,1,0]=4 9705 B11R1.182 COCc1cc(ccc1I)Cl 34a_100138415774_100012348826 [1,1,0,0,0,0|1,1,0]=4 9706 B11R1.182 COCc1cc(ccc1I)F 34a_100010255287_200000210301 [1,1,0,0,0,0|1,1,0]=4 9707 B11R1.182 COCc1cc(ccc1I)F 34a_100138415774_100010149606 [1,1,0,0,0,0|1,1,0]=4 9708 B11R1.182 COCc1cc(ccc1I)F 7a_100010255287_200000210301 [1,1,0,0,0,0|1,1,0]=4 9709 B11R1.182 COCc1cc(ccc1N)Br 34a_100012353972_200000210301 [1,1,0,0,0,0|2,0,0]=4 9710 B11R1.182 COCc1cc(ccc1N)Br 7a_100012353972_200000210301 [1,1,0,0,0,0|2,0,0]=4 9711 B11R1.182 COCc1cc(ccc1N)C 34a_100011215565_200000210301 [1,1,0,0,0,0|2,0,0]=4 9712 B11R1.182 COCc1cc(ccc1N)C 7a_100011215565_200000210301 [1,1,0,0,0,0|2,0,0]=4 9713 B11R1.182 COCc1cc(ccc1N)Cl 34a_100011214999_200000210301 [1,1,0,0,0,0|2,0,0]=4 9714 B11R1.182 COCc1cc(ccc1N)Cl 7a_100011214999_200000210301 [1,1,0,0,0,0|2,0,0]=4 9715 B11R1.182 COCc1cc(ccc1N)F 34a_100011296978_200000210301 [1,1,0,0,0,0|2,0,0]=4 9716 B11R1.182 COCc1cc(ccc1N)F 7a_100011296978_200000210301 [1,1,0,0,0,0|2,0,0]=4 9717 B11R1.182 COCc1cc(ccc1O)F 34a_100138415774_100010161318 [1,1,0,0,0,0|2,0,0]=4 9718 B11R1.182 COCc1cc(cnc1Cl)Br 34a_100000734252_200000210301 [1,1,0,0,0,0|2,0,0]=4 9719 B11R1.182 COCc1cc(cnc1Cl)Br 34a_100138415774_100009816982 [1,1,0,0,0,0|2,0,0]=4 9720 B11R1.182 COCc1cc(cnc1Cl)Br 7a_100000734252_200000210301 [1,1,0,0,0,0|2,0,0]=4 9721 B11R1.182 COCc1cc(cnc1Cl)C 34a_100000118064_200000210301 [1,1,0,0,0,0|2,0,0]=4 9722 B11R1.182 COCc1cc(cnc1Cl)C 7a_100000118064_200000210301 [1,1,0,0,0,0|2,0,0]=4 9723 B11R1.182 COCc1cc(cnc1Cl)Cl 34a_100000084153_200000210301 [1,1,0,0,0,0|2,0,0]=4 9724 B11R1.182 COCc1cc(cnc1Cl)Cl 7a_100000084153_200000210301 [1,1,0,0,0,0|2,0,0]=4 9725 B11R1.182 COCc1cc(cnc1Cl)F 34a_100000079972_200000210301 [1,1,0,0,0,0|2,0,0]=4 9726 B11R1.182 COCc1cc(cnc1Cl)F 7a_100000079972_200000210301 [1,1,0,0,0,0|2,0,0]=4 9727 B11R1.182 COCc1cc(ncc1Cl)Cl 34a_100000081519_200000210301 [1,1,0,0,0,0|2,0,0]=4 9728 B11R1.182 COCc1cc(ncc1Cl)Cl 7a_100000081519_200000210301 [1,1,0,0,0,0|2,0,0]=4 9729 B11R1.182 COCc1nc(ccc1Cl)C 34a_100138415774_200009852033 [1,1,0,0,0,0|2,0,0]=4 9730 B11R1.182 COCc1nc(ccc1Cl)Cl 34a_100000749784_200000210301 [1,1,0,0,0,0|2,0,0]=4 9731 B11R1.182 COCc1nc(ccc1Cl)Cl 34a_100138415774_100000059412 [1,1,0,0,0,0|2,0,0]=4 9732 B11R1.182 CSCc1cc(ccc1Br)Br 62a_100011982794_200000210301 [1,1,0,0,0,0|1,1,0]=4 9733 B11R1.182 CSCc1cc(ccc1Br)Br 62a_200000210301_100011982794 [1,1,0,0,0,0|1,1,0]=4 9734 B11R1.182 CSCc1cc(ccc1Br)Cl 62a_100000733903_200000210301 [1,1,0,0,0,0|1,1,0]=4 9735 B11R1.182 CSCc1cc(ccc1Br)Cl 62a_200000210301_100000733903 [1,1,0,0,0,0|1,1,0]=4 9736 B11R1.182 CSCc1cc(ccc1Br)F 62a_100000736370_200000210301 [1,1,0,0,0,0|1,1,0]=4 9737 B11R1.182 CSCc1cc(ccc1Br)F 62a_200000210301_100000736370 [1,1,0,0,0,0|1,1,0]=4 9738 B11R1.182 CSCc1cc(ccc1Br)I 62a_100012355412_200000210301 [1,1,0,0,0,0|1,1,0]=4 9739 B11R1.182 CSCc1cc(ccc1Br)I 62a_200000210301_100012355412 [1,1,0,0,0,0|1,1,0]=4 9740 B11R1.182 CSCc1cc(ccc1C)C 62a_100000184699_200000210301 [1,1,0,0,0,0|2,0,0]=4 9741 B11R1.182 CSCc1cc(ccc1C)C 62a_200000210301_100000184699 [1,1,0,0,0,0|2,0,0]=4 9742 B11R1.182 CSCc1cc(ccc1C)Cl 62a_100012186985_200000210301 [1,1,0,0,0,0|2,0,0]=4 9743 B11R1.182 CSCc1cc(ccc1C)Cl 62a_200000210301_100012186985 [1,1,0,0,0,0|2,0,0]=4 9744 B11R1.182 CSCc1cc(ccc1C)F 62a_100000709795_200000210301 [1,1,0,0,0,0|2,0,0]=4 9745 B11R1.182 CSCc1cc(ccc1C)F 62a_200000210301_100000709795 [1,1,0,0,0,0|2,0,0]=4 9746 B11R1.182 CSCc1cc(ccc1Cl)Br 62a_100000763347_200000210301 [1,1,0,0,0,0|1,0,0]=3 9747 B11R1.182 CSCc1cc(ccc1Cl)Br 62a_200000210301_100000763347 [1,1,0,0,0,0|1,0,0]=3 9748 B11R1.182 CSCc1cc(ccc1Cl)C 62a_100009871730_200000210301 [1,1,0,0,0,0|1,0,0]=3 9749 B11R1.182 CSCc1cc(ccc1Cl)C 62a_200000210301_100009871730 [1,1,0,0,0,0|1,0,0]=3 9750 B11R1.182 CSCc1cc(ccc1Cl)Cl 62a_100000756322_200000210301 [1,1,0,0,0,0|1,0,0]=3 9751 B11R1.182 CSCc1cc(ccc1Cl)Cl 62a_200000210301_100000756322 [1,1,0,0,0,0|1,0,0]=3 9752 B11R1.182 CSCc1cc(ccc1Cl)F 62a_100000709952_200000210301 [1,1,0,0,0,0|1,0,0]=3 9753 B11R1.182 CSCc1cc(ccc1Cl)F 62a_200000210301_100000709952 [1,1,0,0,0,0|1,0,0]=3 9754 B11R1.182 CSCc1cc(ccc1Cl)I 62a_100010188191_200000210301 [1,1,0,0,0,0|1,0,0]=3 9755 B11R1.182 CSCc1cc(ccc1Cl)I 62a_200000210301_100010188191 [1,1,0,0,0,0|1,0,0]=3 9756 B11R1.182 CSCc1cc(ccc1F)Br 62a_100000736399_200000210301 [1,1,0,0,0,0|1,1,0]=4 9757 B11R1.182 CSCc1cc(ccc1F)Br 62a_200000210301_100000736399 [1,1,0,0,0,0|1,1,0]=4 9758 B11R1.182 CSCc1cc(ccc1F)C 62a_100011260760_200000210301 [1,1,0,0,0,0|1,1,0]=4 9759 B11R1.182 CSCc1cc(ccc1F)C 62a_200000210301_100011260760 [1,1,0,0,0,0|1,1,0]=4 9760 B11R1.182 CSCc1cc(ccc1F)Cl 62a_100000716957_200000210301 [1,1,0,0,0,0|1,1,0]=4 9761 B11R1.182 CSCc1cc(ccc1F)Cl 62a_200000210301_100000716957 [1,1,0,0,0,0|1,1,0]=4 9762 B11R1.182 CSCc1cc(ccc1F)F 62a_100000685659_200000210301 [1,1,0,0,0,0|1,1,0]=4 9763 B11R1.182 CSCc1cc(ccc1F)F 62a_200000210301_100000685659 [1,1,0,0,0,0|1,1,0]=4 9764 B11R1.182 CSCc1cc(ccc1F)I 62a_200000210301_200010149601 [1,1,0,0,0,0|1,1,0]=4 9765 B11R1.182 CSCc1cc(ccc1F)I 62a_200010149601_200000210301 [1,1,0,0,0,0|1,1,0]=4 9766 B11R1.182 CSCc1cc(ccc1I)Br 62a_100012362523_200000210301 [1,1,0,0,0,0|1,1,0]=4 9767 B11R1.182 CSCc1cc(ccc1I)Br 62a_200000210301_100012362523 [1,1,0,0,0,0|1,1,0]=4 9768 B11R1.182 CSCc1cc(ccc1I)Cl 62a_100012348826_200000210301 [1,1,0,0,0,0|1,1,0]=4 9769 B11R1.182 CSCc1cc(ccc1I)Cl 62a_200000210301_100012348826 [1,1,0,0,0,0|1,1,0]=4 9770 B11R1.182 CSCc1cc(ccc1I)F 62a_100010149606_200000210301 [1,1,0,0,0,0|1,1,0]=4 9771 B11R1.182 CSCc1cc(ccc1I)F 62a_200000210301_100010149606 [1,1,0,0,0,0|1,1,0]=4 9772 B11R1.182 CSCc1cc(ccc1O)F 62a_100010161318_200000210301 [1,1,0,0,0,0|2,0,0]=4 9773 B11R1.182 CSCc1cc(ccc1O)F 62a_200000210301_100010161318 [1,1,0,0,0,0|2,0,0]=4 9774 B11R1.182 CSCc1cc(cnc1Cl)Br 62a_100009816982_200000210301 [1,1,0,0,0,0|2,0,0]=4 9775 B11R1.182 CSCc1cc(cnc1Cl)Br 62a_200000210301_100009816982 [1,1,0,0,0,0|2,0,0]=4 9776 B11R1.182 CSCc1nc(ccc1Cl)C 62a_200000210301_200009852033 [1,1,0,0,0,0|2,0,0]=4 9777 B11R1.182 CSCc1nc(ccc1Cl)C 62a_200009852033_200000210301 [1,1,0,0,0,0|2,0,0]=4 9778 B11R1.182 CSCc1nc(ccc1Cl)Cl 62a_100000059412_200000210301 [1,1,0,0,0,0|2,0,0]=4 9779 B11R1.182 CSCc1nc(ccc1Cl)Cl 62a_200000210301_100000059412 [1,1,0,0,0,0|2,0,0]=4 9780 B11R1.182 Cc1ccc(c(c1)CN[13CH3])C 34a_100000174964_200025704644 [1,1,0,0,0,0|1,0,0]=3 9781 B11R1.182 Cc1ccc(c(c1)CN[13CH3])Cl 2230a_100025705715_200025704644 [1,1,0,0,0,0|0,0,0]=2 9782 B11R1.182 Cc1ccc(c(c1)CN[13CH3])Cl 34a_100025705715_200025704644 [1,1,0,0,0,0|0,0,0]=2 9783 B11R1.182 Cc1ccc(c(c1)CN[13CH3])F 34a_100102693586_200025704644 [1,1,0,0,0,0|0,1,0]=3 9784 B11R1.182 Cc1ccc(c(c1)CO[13CH3])Br 34a_100012361352_200025704644 [1,1,0,0,0,0|1,1,0]=4 9785 B11R1.182 Cc1ccc(c(c1)CO[13CH3])Br 7a_100012361352_200025704644 [1,1,0,0,0,0|1,1,0]=4 9786 B11R1.182 Cc1ccc(c(c1)CO[13CH3])C 34a_200011215349_200025704644 [1,1,0,0,0,0|2,0,0]=4 9787 B11R1.182 Cc1ccc(c(c1)CO[13CH3])C 7a_200011215349_200025704644 [1,1,0,0,0,0|2,0,0]=4 9788 B11R1.182 Cc1ccc(c(c1)CO[13CH3])Cl 34a_100009878994_200025704644 [1,1,0,0,0,0|1,0,0]=3 9789 B11R1.182 Cc1ccc(c(c1)CO[13CH3])Cl 7a_100009878994_200025704644 [1,1,0,0,0,0|1,0,0]=3 9790 B11R1.182 Cc1ccc(c(c1)CO[13CH3])F 34a_100011692775_200025704644 [1,1,0,0,0,0|1,1,0]=4 9791 B11R1.182 Cc1ccc(c(c1)CO[13CH3])F 7a_100011692775_200025704644 [1,1,0,0,0,0|1,1,0]=4 9792 B11R1.182 Cc1ccc(c(c1)CO[13CH3])N 34a_100011215565_200025704644 [1,1,0,0,0,0|2,0,0]=4 9793 B11R1.182 Cc1ccc(c(c1)CO[13CH3])N 7a_100011215565_200025704644 [1,1,0,0,0,0|2,0,0]=4 9794 B11R1.182 Cc1ccc(c(c1)CS[13CH3])C 62a_100000184699_200025704644 [1,1,0,0,0,0|2,0,0]=4 9795 B11R1.182 Cc1ccc(c(c1)CS[13CH3])C 62a_200025704644_100000184699 [1,1,0,0,0,0|2,0,0]=4 9796 B11R1.182 Cc1ccc(c(c1)CS[13CH3])Cl 62a_100009871730_200025704644 [1,1,0,0,0,0|1,0,0]=3 9797 B11R1.182 Cc1ccc(c(c1)CS[13CH3])Cl 62a_200025704644_100009871730 [1,1,0,0,0,0|1,0,0]=3 9798 B11R1.182 Cc1ccc(c(c1)CS[13CH3])F 62a_100011260760_200025704644 [1,1,0,0,0,0|1,1,0]=4 9799 B11R1.182 Cc1ccc(c(c1)CS[13CH3])F 62a_200025704644_100011260760 [1,1,0,0,0,0|1,1,0]=4 9800 B11R1.182 Cc1ccc(c(c1)NCF)Cl 34a_100011215360_100015361967 [1,1,0,0,0,0|2,0,0]=4 9801 B11R1.182 Cc1ccc(c(c1)OCF)Cl 34a_100000211493_100015361967 [1,1,0,0,0,0|2,0,0]=4 9802 B11R1.182 Cc1ccc(c(c1)OCF)Cl 7a_100000211493_100015361967 [1,1,0,0,0,0|2,0,0]=4 9803 B11R1.182 Cc1ccc(c(c1)SCF)Cl 62a_100012356289_100015361967 [1,1,0,0,0,0|2,0,0]=4 9804 B11R1.182 Cc1ccc(c(c1)SCF)Cl 62a_100015361967_100012356289 [1,1,0,0,0,0|2,0,0]=4 9805 B11R1.182 Cc1ccc(c(n1)CS[13CH3])Cl 62a_200009852033_200025704644 [1,1,0,0,0,0|2,0,0]=4 9806 B11R1.182 Cc1ccc(c(n1)CS[13CH3])Cl 62a_200025704644_200009852033 [1,1,0,0,0,0|2,0,0]=4 9807 B11R1.182 Cc1ccc(cc1CN[13CH3])Cl 34a_100000717755_200025704644 [1,1,0,0,0,0|1,0,0]=3 9808 B11R1.182 Cc1ccc(cc1CN[13CH3])F 34a_100011217291_200025704644 [1,1,0,0,0,0|1,0,0]=3 9809 B11R1.182 Cc1ccc(cc1CN[13CH3])O 34a_200009844824_200025704644 [1,1,0,0,0,0|1,0,0]=3 9810 B11R1.182 Cc1ccc(cc1CO[13CH3])Br 34a_100000700630_200025704644 [1,1,0,0,0,0|2,0,0]=4 9811 B11R1.182 Cc1ccc(cc1CO[13CH3])Br 7a_100000700630_200025704644 [1,1,0,0,0,0|2,0,0]=4 9812 B11R1.182 Cc1ccc(cc1CO[13CH3])Cl 34a_100012002407_200025704644 [1,1,0,0,0,0|2,0,0]=4 9813 B11R1.182 Cc1ccc(cc1CO[13CH3])Cl 7a_100012002407_200025704644 [1,1,0,0,0,0|2,0,0]=4 9814 B11R1.182 Cc1ccc(cc1CO[13CH3])F 34a_100011219218_200025704644 [1,1,0,0,0,0|2,0,0]=4 9815 B11R1.182 Cc1ccc(cc1CO[13CH3])F 7a_100011219218_200025704644 [1,1,0,0,0,0|2,0,0]=4 9816 B11R1.182 Cc1ccc(cc1CO[13CH3])I 34a_100010150140_200025704644 [1,1,0,0,0,0|2,0,0]=4 9817 B11R1.182 Cc1ccc(cc1CO[13CH3])I 7a_100010150140_200025704644 [1,1,0,0,0,0|2,0,0]=4 9818 B11R1.182 Cc1ccc(cc1CS[13CH3])Cl 62a_100012186985_200025704644 [1,1,0,0,0,0|2,0,0]=4 9819 B11R1.182 Cc1ccc(cc1CS[13CH3])Cl 62a_200025704644_100012186985 [1,1,0,0,0,0|2,0,0]=4 9820 B11R1.182 Cc1ccc(cc1CS[13CH3])F 62a_100000709795_200025704644 [1,1,0,0,0,0|2,0,0]=4 9821 B11R1.182 Cc1ccc(cc1CS[13CH3])F 62a_200025704644_100000709795 [1,1,0,0,0,0|2,0,0]=4 9822 B11R1.182 Cc1cnc(c(c1)CO[13CH3])Cl 34a_100000118064_200025704644 [1,1,0,0,0,0|2,0,0]=4 9823 B11R1.182 Cc1cnc(c(c1)CO[13CH3])Cl 7a_100000118064_200025704644 [1,1,0,0,0,0|2,0,0]=4 9824 B11R1.182 FCNc1cc(ccc1Cl)Br 34a_100000750497_100015361967 [1,1,0,0,0,0|2,0,0]=4 9825 B11R1.182 FCNc1cc(ccc1Cl)Cl 34a_100000184485_100015361967 [1,1,0,0,0,0|2,0,0]=4 9826 B11R1.182 FCNc1cc(ccc1Cl)F 34a_100000751338_100015361967 [1,1,0,0,0,0|2,0,0]=4 9827 B11R1.182 FCNc1cc(ccc1Cl)I 34a_200000761891_100015361967 [1,1,0,0,0,0|2,0,0]=4 9828 B11R1.182 FCOc1cc(ccc1Cl)Br 34a_100000738945_100015361967 [1,1,0,0,0,0|2,0,0]=4 9829 B11R1.182 FCOc1cc(ccc1Cl)Br 7a_100000738945_100015361967 [1,1,0,0,0,0|2,0,0]=4 9830 B11R1.182 FCOc1cc(ccc1Cl)Cl 34a_100000211422_100015361967 [1,1,0,0,0,0|2,0,0]=4 9831 B11R1.182 FCOc1cc(ccc1Cl)Cl 7a_100000211422_100015361967 [1,1,0,0,0,0|2,0,0]=4 9832 B11R1.182 FCOc1cc(ccc1Cl)F 34a_100000692107_100015361967 [1,1,0,0,0,0|2,0,0]=4 9833 B11R1.182 FCOc1cc(ccc1Cl)F 7a_100000692107_100015361967 [1,1,0,0,0,0|2,0,0]=4 9834 B11R1.182 FCOc1cc(ccc1Cl)I 34a_100011356854_100015361967 [1,1,0,0,0,0|2,0,0]=4 9835 B11R1.182 FCOc1cc(ccc1Cl)I 7a_100011356854_100015361967 [1,1,0,0,0,0|2,0,0]=4 9836 B11R1.182 FCSc1cc(ccc1Cl)Br 62a_100011772130_100015361967 [1,1,0,0,0,0|2,0,0]=4 9837 B11R1.182 FCSc1cc(ccc1Cl)Br 62a_100015361967_100011772130 [1,1,0,0,0,0|2,0,0]=4 9838 B11R1.182 FCSc1cc(ccc1Cl)Cl 62a_100000707729_100015361967 [1,1,0,0,0,0|2,0,0]=4 9839 B11R1.182 FCSc1cc(ccc1Cl)Cl 62a_100015361967_100000707729 [1,1,0,0,0,0|2,0,0]=4 9840 B11R1.182 FCSc1cc(ccc1Cl)F 62a_100011217299_100015361967 [1,1,0,0,0,0|2,0,0]=4 9841 B11R1.182 FCSc1cc(ccc1Cl)F 62a_100015361967_100011217299 [1,1,0,0,0,0|2,0,0]=4 9842 B11R1.182 Nc1ccc(c(c1)OCF)Cl 34a_100011934209_100015361967 [1,1,0,0,0,0|2,0,0]=4 9843 B11R1.182 Nc1ccc(c(c1)SCF)Cl 62a_100012360549_100015361967 [1,1,0,0,0,0|2,0,0]=4 9844 B11R1.182 Nc1ccc(c(c1)SCF)Cl 62a_100015361967_100012360549 [1,1,0,0,0,0|2,0,0]=4 9845 B11R1.182 Oc1ccc(c(c1)NCF)Cl 34a_100011934297_100015361967 [1,1,0,0,0,0|2,0,0]=4 9846 B11R1.182 Oc1ccc(c(c1)SCF)Cl 62a_100000049588_100015361967 [1,1,0,0,0,0|2,0,0]=4 9847 B11R1.182 Oc1ccc(c(c1)SCF)Cl 62a_100015361967_100000049588 [1,1,0,0,0,0|2,0,0]=4 9848 B11R1.182 [13CH3]NCc1cc(ccc1Br)Br 34a_100000707832_200025704644 [1,1,0,0,0,0|0,1,0]=3 9849 B11R1.182 [13CH3]NCc1cc(ccc1Br)F 2230a_100000742738_200025704644 [1,1,0,0,0,0|0,1,0]=3 9850 B11R1.182 [13CH3]NCc1cc(ccc1Br)F 34a_100000742738_200025704644 [1,1,0,0,0,0|0,1,0]=3 9851 B11R1.182 [13CH3]NCc1cc(ccc1Cl)Br 34a_100025772652_200025704644 [1,1,0,0,0,0|0,0,0]=2 9852 B11R1.182 [13CH3]NCc1cc(ccc1Cl)Cl 34a_100102946428_200025704644 [1,1,0,0,0,0|0,0,0]=2 9853 B11R1.182 [13CH3]NCc1cc(ccc1Cl)F 2230a_100011830483_200025704644 [1,1,0,0,0,0|0,0,0]=2 9854 B11R1.182 [13CH3]NCc1cc(ccc1Cl)F 34a_100011830483_200025704644 [1,1,0,0,0,0|0,0,0]=2 9855 B11R1.182 [13CH3]NCc1cc(ccc1F)Br 34a_100009815772_200025704644 [1,1,0,0,0,0|0,1,0]=3 9856 B11R1.182 [13CH3]NCc1cc(ccc1F)Cl 34a_100011211646_200025704644 [1,1,0,0,0,0|0,1,0]=3 9857 B11R1.182 [13CH3]NCc1cc(ccc1F)F 34a_100000752317_200025704644 [1,1,0,0,0,0|0,1,0]=3 9858 B11R1.182 [13CH3]NCc1cc(ccc1O)Br 34a_100000730032_200025704644 [1,1,0,0,0,0|1,0,0]=3 9859 B11R1.182 [13CH3]NCc1cc(ccc1O)Cl 34a_100000238540_200025704644 [1,1,0,0,0,0|1,0,0]=3 9860 B11R1.182 [13CH3]NCc1cc(cnc1Br)F 2230a_100010760786_200025704644 [1,1,0,0,0,0|1,1,0]=4 9861 B11R1.182 [13CH3]NCc1cc(cnc1Br)F 34a_100010760786_200025704644 [1,1,0,0,0,0|1,1,0]=4 9862 B11R1.182 [13CH3]NCc1nc(ccc1F)Cl 2230a_100009887702_200025704644 [1,1,0,0,0,0|1,1,0]=4 9863 B11R1.182 [13CH3]NCc1nc(ccc1F)Cl 34a_100009887702_200025704644 [1,1,0,0,0,0|1,1,0]=4 9864 B11R1.182 [13CH3]OCc1cc(ccc1Br)Br 34a_100011266457_200025704644 [1,1,0,0,0,0|1,1,0]=4 9865 B11R1.182 [13CH3]OCc1cc(ccc1Br)Br 7a_100011266457_200025704644 [1,1,0,0,0,0|1,1,0]=4 9866 B11R1.182 [13CH3]OCc1cc(ccc1Br)Cl 34a_100012355668_200025704644 [1,1,0,0,0,0|1,1,0]=4 9867 B11R1.182 [13CH3]OCc1cc(ccc1Br)Cl 7a_100012355668_200025704644 [1,1,0,0,0,0|1,1,0]=4 9868 B11R1.182 [13CH3]OCc1cc(ccc1Br)F 34a_100011217561_200025704644 [1,1,0,0,0,0|1,1,0]=4 9869 B11R1.182 [13CH3]OCc1cc(ccc1Br)F 7a_100011217561_200025704644 [1,1,0,0,0,0|1,1,0]=4 9870 B11R1.182 [13CH3]OCc1cc(ccc1Br)I 7a_100012359683_200025704644 [1,1,0,0,0,0|1,1,0]=4 9871 B11R1.182 [13CH3]OCc1cc(ccc1Br)N 34a_100012347228_200025704644 [1,1,0,0,0,0|1,1,0]=4 9872 B11R1.182 [13CH3]OCc1cc(ccc1Cl)Br 34a_100011215897_200025704644 [1,1,0,0,0,0|1,0,0]=3 9873 B11R1.182 [13CH3]OCc1cc(ccc1Cl)Br 7a_100011215897_200025704644 [1,1,0,0,0,0|1,0,0]=3 9874 B11R1.182 [13CH3]OCc1cc(ccc1Cl)Cl 34a_100000698905_200025704644 [1,1,0,0,0,0|1,0,0]=3 9875 B11R1.182 [13CH3]OCc1cc(ccc1Cl)Cl 7a_100000698905_200025704644 [1,1,0,0,0,0|1,0,0]=3 9876 B11R1.182 [13CH3]OCc1cc(ccc1Cl)F 34a_100011218361_200025704644 [1,1,0,0,0,0|1,0,0]=3 9877 B11R1.182 [13CH3]OCc1cc(ccc1Cl)F 7a_100011218361_200025704644 [1,1,0,0,0,0|1,0,0]=3 9878 B11R1.182 [13CH3]OCc1cc(ccc1Cl)I 34a_100010128486_200025704644 [1,1,0,0,0,0|1,0,0]=3 9879 B11R1.182 [13CH3]OCc1cc(ccc1Cl)I 7a_100010128486_200025704644 [1,1,0,0,0,0|1,0,0]=3 9880 B11R1.182 [13CH3]OCc1cc(ccc1Cl)N 34a_100011273577_200025704644 [1,1,0,0,0,0|1,0,0]=3 9881 B11R1.182 [13CH3]OCc1cc(ccc1F)Br 34a_100000246282_200025704644 [1,1,0,0,0,0|1,1,0]=4 9882 B11R1.182 [13CH3]OCc1cc(ccc1F)Br 7a_100000246282_200025704644 [1,1,0,0,0,0|1,1,0]=4 9883 B11R1.182 [13CH3]OCc1cc(ccc1F)Cl 34a_100011217248_200025704644 [1,1,0,0,0,0|1,1,0]=4 9884 B11R1.182 [13CH3]OCc1cc(ccc1F)Cl 7a_100011217248_200025704644 [1,1,0,0,0,0|1,1,0]=4 9885 B11R1.182 [13CH3]OCc1cc(ccc1F)F 34a_100011217725_200025704644 [1,1,0,0,0,0|1,1,0]=4 9886 B11R1.182 [13CH3]OCc1cc(ccc1F)F 7a_100011217725_200025704644 [1,1,0,0,0,0|1,1,0]=4 9887 B11R1.182 [13CH3]OCc1cc(ccc1F)I 34a_100000049604_200025704644 [1,1,0,0,0,0|1,1,0]=4 9888 B11R1.182 [13CH3]OCc1cc(ccc1F)I 7a_100000049604_200025704644 [1,1,0,0,0,0|1,1,0]=4 9889 B11R1.182 [13CH3]OCc1cc(ccc1F)N 34a_100011218011_200025704644 [1,1,0,0,0,0|1,1,0]=4 9890 B11R1.182 [13CH3]OCc1cc(ccc1I)Br 34a_100011356890_200025704644 [1,1,0,0,0,0|1,1,0]=4 9891 B11R1.182 [13CH3]OCc1cc(ccc1I)Br 7a_100011356890_200025704644 [1,1,0,0,0,0|1,1,0]=4 9892 B11R1.182 [13CH3]OCc1cc(ccc1I)F 34a_100010255287_200025704644 [1,1,0,0,0,0|1,1,0]=4 9893 B11R1.182 [13CH3]OCc1cc(ccc1I)F 7a_100010255287_200025704644 [1,1,0,0,0,0|1,1,0]=4 9894 B11R1.182 [13CH3]OCc1cc(ccc1N)Br 34a_100012353972_200025704644 [1,1,0,0,0,0|2,0,0]=4 9895 B11R1.182 [13CH3]OCc1cc(ccc1N)Br 7a_100012353972_200025704644 [1,1,0,0,0,0|2,0,0]=4 9896 B11R1.182 [13CH3]OCc1cc(ccc1N)Cl 34a_100011214999_200025704644 [1,1,0,0,0,0|2,0,0]=4 9897 B11R1.182 [13CH3]OCc1cc(ccc1N)Cl 7a_100011214999_200025704644 [1,1,0,0,0,0|2,0,0]=4 9898 B11R1.182 [13CH3]OCc1cc(ccc1N)F 34a_100011296978_200025704644 [1,1,0,0,0,0|2,0,0]=4 9899 B11R1.182 [13CH3]OCc1cc(ccc1N)F 7a_100011296978_200025704644 [1,1,0,0,0,0|2,0,0]=4 9900 B11R1.182 [13CH3]OCc1cc(cnc1Cl)Br 34a_100000734252_200025704644 [1,1,0,0,0,0|2,0,0]=4 9901 B11R1.182 [13CH3]OCc1cc(cnc1Cl)Br 7a_100000734252_200025704644 [1,1,0,0,0,0|2,0,0]=4 9902 B11R1.182 [13CH3]OCc1cc(cnc1Cl)Cl 34a_100000084153_200025704644 [1,1,0,0,0,0|2,0,0]=4 9903 B11R1.182 [13CH3]OCc1cc(cnc1Cl)Cl 7a_100000084153_200025704644 [1,1,0,0,0,0|2,0,0]=4 9904 B11R1.182 [13CH3]OCc1cc(cnc1Cl)F 34a_100000079972_200025704644 [1,1,0,0,0,0|2,0,0]=4 9905 B11R1.182 [13CH3]OCc1cc(cnc1Cl)F 7a_100000079972_200025704644 [1,1,0,0,0,0|2,0,0]=4 9906 B11R1.182 [13CH3]OCc1cc(ncc1Cl)Cl 34a_100000081519_200025704644 [1,1,0,0,0,0|2,0,0]=4 9907 B11R1.182 [13CH3]OCc1cc(ncc1Cl)Cl 7a_100000081519_200025704644 [1,1,0,0,0,0|2,0,0]=4 9908 B11R1.182 [13CH3]OCc1nc(ccc1Cl)Cl 34a_100000749784_200025704644 [1,1,0,0,0,0|2,0,0]=4 9909 B11R1.182 [13CH3]SCc1cc(ccc1Br)Br 62a_100011982794_200025704644 [1,1,0,0,0,0|1,1,0]=4 9910 B11R1.182 [13CH3]SCc1cc(ccc1Br)Br 62a_200025704644_100011982794 [1,1,0,0,0,0|1,1,0]=4 9911 B11R1.182 [13CH3]SCc1cc(ccc1Br)Cl 62a_100000733903_200025704644 [1,1,0,0,0,0|1,1,0]=4 9912 B11R1.182 [13CH3]SCc1cc(ccc1Br)Cl 62a_200025704644_100000733903 [1,1,0,0,0,0|1,1,0]=4 9913 B11R1.182 [13CH3]SCc1cc(ccc1Br)F 62a_100000736370_200025704644 [1,1,0,0,0,0|1,1,0]=4 9914 B11R1.182 [13CH3]SCc1cc(ccc1Br)F 62a_200025704644_100000736370 [1,1,0,0,0,0|1,1,0]=4 9915 B11R1.182 [13CH3]SCc1cc(ccc1Br)I 62a_100012355412_200025704644 [1,1,0,0,0,0|1,1,0]=4 9916 B11R1.182 [13CH3]SCc1cc(ccc1Br)I 62a_200025704644_100012355412 [1,1,0,0,0,0|1,1,0]=4 9917 B11R1.182 [13CH3]SCc1cc(ccc1Cl)Br 62a_100000763347_200025704644 [1,1,0,0,0,0|1,0,0]=3 9918 B11R1.182 [13CH3]SCc1cc(ccc1Cl)Br 62a_200025704644_100000763347 [1,1,0,0,0,0|1,0,0]=3 9919 B11R1.182 [13CH3]SCc1cc(ccc1Cl)Cl 62a_100000756322_200025704644 [1,1,0,0,0,0|1,0,0]=3 9920 B11R1.182 [13CH3]SCc1cc(ccc1Cl)Cl 62a_200025704644_100000756322 [1,1,0,0,0,0|1,0,0]=3 9921 B11R1.182 [13CH3]SCc1cc(ccc1Cl)F 62a_100000709952_200025704644 [1,1,0,0,0,0|1,0,0]=3 9922 B11R1.182 [13CH3]SCc1cc(ccc1Cl)F 62a_200025704644_100000709952 [1,1,0,0,0,0|1,0,0]=3 9923 B11R1.182 [13CH3]SCc1cc(ccc1Cl)I 62a_100010188191_200025704644 [1,1,0,0,0,0|1,0,0]=3 9924 B11R1.182 [13CH3]SCc1cc(ccc1Cl)I 62a_200025704644_100010188191 [1,1,0,0,0,0|1,0,0]=3 9925 B11R1.182 [13CH3]SCc1cc(ccc1F)Br 62a_100000736399_200025704644 [1,1,0,0,0,0|1,1,0]=4 9926 B11R1.182 [13CH3]SCc1cc(ccc1F)Br 62a_200025704644_100000736399 [1,1,0,0,0,0|1,1,0]=4 9927 B11R1.182 [13CH3]SCc1cc(ccc1F)Cl 62a_100000716957_200025704644 [1,1,0,0,0,0|1,1,0]=4 9928 B11R1.182 [13CH3]SCc1cc(ccc1F)Cl 62a_200025704644_100000716957 [1,1,0,0,0,0|1,1,0]=4 9929 B11R1.182 [13CH3]SCc1cc(ccc1F)F 62a_100000685659_200025704644 [1,1,0,0,0,0|1,1,0]=4 9930 B11R1.182 [13CH3]SCc1cc(ccc1F)F 62a_200025704644_100000685659 [1,1,0,0,0,0|1,1,0]=4 9931 B11R1.182 [13CH3]SCc1cc(ccc1F)I 62a_200010149601_200025704644 [1,1,0,0,0,0|1,1,0]=4 9932 B11R1.182 [13CH3]SCc1cc(ccc1F)I 62a_200025704644_200010149601 [1,1,0,0,0,0|1,1,0]=4 9933 B11R1.182 [13CH3]SCc1cc(ccc1I)Br 62a_100012362523_200025704644 [1,1,0,0,0,0|1,1,0]=4 9934 B11R1.182 [13CH3]SCc1cc(ccc1I)Br 62a_200025704644_100012362523 [1,1,0,0,0,0|1,1,0]=4 9935 B11R1.182 [13CH3]SCc1cc(ccc1I)Cl 62a_100012348826_200025704644 [1,1,0,0,0,0|1,1,0]=4 9936 B11R1.182 [13CH3]SCc1cc(ccc1I)Cl 62a_200025704644_100012348826 [1,1,0,0,0,0|1,1,0]=4 9937 B11R1.182 [13CH3]SCc1cc(ccc1I)F 62a_100010149606_200025704644 [1,1,0,0,0,0|1,1,0]=4 9938 B11R1.182 [13CH3]SCc1cc(ccc1I)F 62a_200025704644_100010149606 [1,1,0,0,0,0|1,1,0]=4 9939 B11R1.182 [13CH3]SCc1cc(ccc1O)F 62a_100010161318_200025704644 [1,1,0,0,0,0|2,0,0]=4 9940 B11R1.182 [13CH3]SCc1cc(ccc1O)F 62a_200025704644_100010161318 [1,1,0,0,0,0|2,0,0]=4 9941 B11R1.182 [13CH3]SCc1cc(cnc1Cl)Br 62a_100009816982_200025704644 [1,1,0,0,0,0|2,0,0]=4 9942 B11R1.182 [13CH3]SCc1cc(cnc1Cl)Br 62a_200025704644_100009816982 [1,1,0,0,0,0|2,0,0]=4 9943 B11R1.182 [13CH3]SCc1nc(ccc1Cl)Cl 62a_100000059412_200025704644 [1,1,0,0,0,0|2,0,0]=4 9944 B11R1.182 [13CH3]SCc1nc(ccc1Cl)Cl 62a_200025704644_100000059412 [1,1,0,0,0,0|2,0,0]=4 9945 B11R1.222 CC(N[13CH3])c1ccccc1Br 2230a_100000181357_200025704644 [1,1,0,0,0,0|0,1,0]=3 9946 B11R1.222 CC(N[13CH3])c1ccccc1Cl 2230a_100000174978_200025704644 [1,1,0,0,0,0|0,0,0]=2 9947 B11R1.222 CC(N[13CH3])c1ccccc1Cl 34a_100000174978_200025704644 [1,1,0,0,0,0|0,0,0]=2 9948 B11R1.222 CC(N[13CH3])c1ccccc1F 2230a_100000181408_200025704644 [1,1,0,0,0,0|0,1,0]=3 9949 B11R1.222 CC(N[13CH3])c1ccccc1F 34a_100000181408_200025704644 [1,1,0,0,0,0|0,1,0]=3 9950 B11R1.222 CC(N[13CH3])c1cccnc1O 2230a_100159269580_200025704644 [1,1,0,0,0,0|2,0,0]=4 9951 B11R1.222 CC(N[13CH3])c1ncccc1Br 2230a_100159271932_200025704644 [1,1,0,0,0,0|1,1,0]=4 9952 B11R1.222 CC(O[13CH3])c1ccccc1Br 34a_100000702211_200025704644 [1,1,0,0,0,0|1,1,0]=4 9953 B11R1.222 CC(O[13CH3])c1ccccc1Br 7a_100000702211_200025704644 [1,1,0,0,0,0|1,1,0]=4 9954 B11R1.222 CC(O[13CH3])c1ccccc1Cl 34a_100000740796_200025704644 [1,1,0,0,0,0|1,0,0]=3 9955 B11R1.222 CC(O[13CH3])c1ccccc1Cl 7a_100000740796_200025704644 [1,1,0,0,0,0|1,0,0]=3 9956 B11R1.222 CC(O[13CH3])c1ccccc1F 34a_100000697922_200025704644 [1,1,0,0,0,0|1,1,0]=4 9957 B11R1.222 CC(O[13CH3])c1ccccc1F 7a_100000697922_200025704644 [1,1,0,0,0,0|1,1,0]=4 9958 B11R1.222 CC(O[13CH3])c1ccccc1N 7a_100011405641_200025704644 [1,1,0,0,0,0|2,0,0]=4 9959 B11R1.222 CC(O[13CH3])c1cccnc1Cl 34a_100009865335_200025704644 [1,1,0,0,0,0|2,0,0]=4 9960 B11R1.222 CC(O[13CH3])c1cccnc1Cl 7a_100009865335_200025704644 [1,1,0,0,0,0|2,0,0]=4 9961 B11R1.222 CC(S[13CH3])c1ccccc1Cl 62a_100000181259_200025704644 [1,1,0,0,0,0|1,0,0]=3 9962 B11R1.222 CC(S[13CH3])c1ccccc1Cl 62a_200025704644_100000181259 [1,1,0,0,0,0|1,0,0]=3 9963 B11R1.222 CC(S[13CH3])c1ccccc1F 62a_200000741388_200025704644 [1,1,0,0,0,0|1,1,0]=4 9964 B11R1.222 CC(S[13CH3])c1ccccc1F 62a_200025704644_200000741388 [1,1,0,0,0,0|1,1,0]=4 9965 B11R1.222 CCC(=O)c1ccccc1Br 1458a_100000188424_100000210202 [1,1,0,0,0,0|0,1,1]=4 9966 B11R1.222 CCC(=O)c1ccccc1C 1458a_100000212026_100000210202 [1,1,0,0,0,0|1,0,1]=4 9967 B11R1.222 CCC(=O)c1ccccc1Cl 1458a_100000185844_100000210202 [1,1,0,0,0,0|0,0,1]=3 9968 B11R1.222 CCC(=O)c1ccccc1F 1458a_100000188656_100000210202 [1,1,0,0,0,0|0,1,1]=4 9969 B11R1.222 CCC(=O)c1ccccc1I 1458a_100000187884_100000210202 [1,1,0,0,0,0|0,1,1]=4 9970 B11R1.222 CCC(=O)c1ccccc1O 1458a_100015234032_100000210202 [1,1,0,0,0,0|1,0,1]=4 9971 B11R1.222 CCC(=O)c1ccccc1[O-] 1458a_100009911694_100000210202 [1,1,0,0,0,0|1,0,1]=4 9972 B11R1.222 CCN(C)c1ccccc1Br 2230a_100020606079_100000210202 [1,1,0,0,0,0|1,1,0]=4 9973 B11R1.222 CCN(C)c1ccccc1Br 2230a_114873767003_200000210301 [1,1,0,0,0,0|1,1,0]=4 9974 B11R1.222 CCN(C)c1ccccc1Br 269982a_100020606079_100000204670 [1,1,0,0,0,0|1,1,0]=4 9975 B11R1.222 CCN(C)c1ccccc1Br 269982a_114873767003_200000210301 [1,1,0,0,0,0|1,1,0]=4 9976 B11R1.222 CCN(C)c1ccccc1Br 34a_100020606079_100000210202 [1,1,0,0,0,0|1,1,0]=4 9977 B11R1.222 CCN(C)c1ccccc1Br 34a_114873767003_200000210301 [1,1,0,0,0,0|1,1,0]=4 9978 B11R1.222 CCN(C)c1ccccc1C 2230a_100000211084_200000210301 [1,1,0,0,0,0|2,0,0]=4 9979 B11R1.222 CCN(C)c1ccccc1C 2230a_100000219699_100000210202 [1,1,0,0,0,0|2,0,0]=4 9980 B11R1.222 CCN(C)c1ccccc1C 269982a_100000211084_200000210301 [1,1,0,0,0,0|2,0,0]=4 9981 B11R1.222 CCN(C)c1ccccc1C 269982a_100000219699_100000204670 [1,1,0,0,0,0|2,0,0]=4 9982 B11R1.222 CCN(C)c1ccccc1C 34a_100000211084_200000210301 [1,1,0,0,0,0|2,0,0]=4 9983 B11R1.222 CCN(C)c1ccccc1C 34a_100000219699_100000210202 [1,1,0,0,0,0|2,0,0]=4 9984 B11R1.222 CCN(C)c1ccccc1Cl 2230a_100000219374_100000210202 [1,1,0,0,0,0|1,0,0]=3 9985 B11R1.222 CCN(C)c1ccccc1Cl 269982a_100000219374_100000204670 [1,1,0,0,0,0|1,0,0]=3 9986 B11R1.222 CCN(C)c1ccccc1Cl 34a_100000219374_100000210202 [1,1,0,0,0,0|1,0,0]=3 9987 B11R1.222 CCN(C)c1ccccc1F 2230a_100000220357_100000210202 [1,1,0,0,0,0|1,1,0]=4 9988 B11R1.222 CCN(C)c1ccccc1F 2230a_100000220365_200000210301 [1,1,0,0,0,0|1,1,0]=4 9989 B11R1.222 CCN(C)c1ccccc1F 269982a_100000220357_100000204670 [1,1,0,0,0,0|1,1,0]=4 9990 B11R1.222 CCN(C)c1ccccc1F 269982a_100000220365_200000210301 [1,1,0,0,0,0|1,1,0]=4 9991 B11R1.222 CCN(C)c1ccccc1F 34a_100000220357_100000210202 [1,1,0,0,0,0|1,1,0]=4 9992 B11R1.222 CCN(C)c1ccccc1F 34a_100000220365_200000210301 [1,1,0,0,0,0|1,1,0]=4 9993 B11R1.222 CCN(C)c1ccccc1F 38a_100000220357_100000204670 [1,1,0,0,0,0|1,1,0]=4 9994 B11R1.222 CCN(C)c1ccccc1O 269982a_100000033821_100000204670 [1,1,0,0,0,0|2,0,0]=4 9995 B11R1.222 CCN(C)c1ccccc1O 269982a_103624766699_200000210301 [1,1,0,0,0,0|2,0,0]=4 9996 B11R1.222 CCN([13CH3])c1ccccc1Br 2230a_114873767003_200025704644 [1,1,0,0,0,0|1,1,0]=4 9997 B11R1.222 CCN([13CH3])c1ccccc1Br 269982a_114873767003_200025704644 [1,1,0,0,0,0|1,1,0]=4 9998 B11R1.222 CCN([13CH3])c1ccccc1Br 34a_114873767003_200025704644 [1,1,0,0,0,0|1,1,0]=4 9999 B11R1.222 CCN([13CH3])c1ccccc1C 2230a_100000211084_200025704644 [1,1,0,0,0,0|2,0,0]=4 10000 B11R1.222 CCN([13CH3])c1ccccc1C 269982a_100000211084_200025704644 [1,1,0,0,0,0|2,0,0]=4 10001 B11R1.222 CCN([13CH3])c1ccccc1C 34a_100000211084_200025704644 [1,1,0,0,0,0|2,0,0]=4 10002 B11R1.222 CCN([13CH3])c1ccccc1F 2230a_100000220365_200025704644 [1,1,0,0,0,0|1,1,0]=4 10003 B11R1.222 CCN([13CH3])c1ccccc1F 269982a_100000220365_200025704644 [1,1,0,0,0,0|1,1,0]=4 10004 B11R1.222 CCN([13CH3])c1ccccc1F 34a_100000220365_200025704644 [1,1,0,0,0,0|1,1,0]=4 10005 B11R1.222 CCN([13CH3])c1ccccc1O 269982a_103624766699_200025704644 [1,1,0,0,0,0|2,0,0]=4 10006 B11R1.222 CN(CF)c1ccccc1Cl 269982a_100000219374_100015361967 [1,1,0,0,0,0|2,0,0]=4 10007 B11R1.222 CN(CF)c1ccccc1Cl 34a_100000219374_100015361967 [1,1,0,0,0,0|2,0,0]=4 10008 B11R1.222 CNC(=O)c1ccccc1Br 11a_106832991635_100000188424 [1,1,0,0,0,0|0,1,1]=4 10009 B11R1.222 CNC(=O)c1ccccc1Br 1626a_100102657272_100000188424 [1,1,0,0,0,0|0,1,1]=4 10010 B11R1.222 CNC(=O)c1ccccc1Br 240690a_100102657272_100000188424 [1,1,0,0,0,0|0,1,1]=4 10011 B11R1.222 CNC(=O)c1ccccc1Br 527a_100102657272_100000188424 [1,1,0,0,0,0|0,1,1]=4 10012 B11R1.222 CNC(=O)c1ccccc1C 11a_106832991635_100000212026 [1,1,0,0,0,0|1,0,1]=4 10013 B11R1.222 CNC(=O)c1ccccc1C 1626a_100102657272_100000212026 [1,1,0,0,0,0|1,0,1]=4 10014 B11R1.222 CNC(=O)c1ccccc1C 240690a_100102657272_100000212026 [1,1,0,0,0,0|1,0,1]=4 10015 B11R1.222 CNC(=O)c1ccccc1C 527a_100102657272_100000212026 [1,1,0,0,0,0|1,0,1]=4 10016 B11R1.222 CNC(=O)c1ccccc1Cl 11a_106832991635_100000185844 [1,1,0,0,0,0|0,0,1]=3 10017 B11R1.222 CNC(=O)c1ccccc1Cl 1626a_100102657272_100000185844 [1,1,0,0,0,0|0,0,1]=3 10018 B11R1.222 CNC(=O)c1ccccc1Cl 240690a_100102657272_100000185844 [1,1,0,0,0,0|0,0,1]=3 10019 B11R1.222 CNC(=O)c1ccccc1Cl 527a_100102657272_100000185844 [1,1,0,0,0,0|0,0,1]=3 10020 B11R1.222 CNC(=O)c1ccccc1F 11a_106832991635_100000188656 [1,1,0,0,0,0|0,1,1]=4 10021 B11R1.222 CNC(=O)c1ccccc1F 1626a_100102657272_100000188656 [1,1,0,0,0,0|0,1,1]=4 10022 B11R1.222 CNC(=O)c1ccccc1F 240690a_100102657272_100000188656 [1,1,0,0,0,0|0,1,1]=4 10023 B11R1.222 CNC(=O)c1ccccc1F 527a_100102657272_100000188656 [1,1,0,0,0,0|0,1,1]=4 10024 B11R1.222 CNC(=O)c1ccccc1I 11a_106832991635_100000187884 [1,1,0,0,0,0|0,1,1]=4 10025 B11R1.222 CNC(=O)c1ccccc1I 1626a_100102657272_100000187884 [1,1,0,0,0,0|0,1,1]=4 10026 B11R1.222 CNC(=O)c1ccccc1I 240690a_100102657272_100000187884 [1,1,0,0,0,0|0,1,1]=4 10027 B11R1.222 CNC(=O)c1ccccc1I 527a_100102657272_100000187884 [1,1,0,0,0,0|0,1,1]=4 10028 B11R1.222 CNC(=O)c1ccccc1O 240690a_100102657272_100015234032 [1,1,0,0,0,0|1,0,1]=4 10029 B11R1.222 CNC(=O)c1ccccc1O 271570a_203496583355_100000155073 [1,1,0,0,0,0|1,0,1]=4 10030 B11R1.222 CNC(=O)c1ccccc1[O-] 1626a_100102657272_100009911694 [1,1,0,0,0,0|1,0,1]=4 10031 B11R1.222 CNC(=O)c1ccccc1[O-] 240690a_100102657272_100009911694 [1,1,0,0,0,0|1,0,1]=4 10032 B11R1.222 CNC(=O)c1ccccc1[O-] 527a_100102657272_100009911694 [1,1,0,0,0,0|1,0,1]=4 10033 B11R1.222 CNC(C)c1ccccc1Br 2230a_100000181357_200000210301 [1,1,0,0,0,0|0,1,0]=3 10034 B11R1.222 CNC(C)c1ccccc1Br 269862a_106832991636_100000187085 [1,1,0,0,0,0|0,1,0]=3 10035 B11R1.222 CNC(C)c1ccccc1C 2230a_100000181355_200000210301 [1,1,0,0,0,0|1,0,0]=3 10036 B11R1.222 CNC(C)c1ccccc1C 269862a_106832991636_100000211656 [1,1,0,0,0,0|1,0,0]=3 10037 B11R1.222 CNC(C)c1ccccc1C 34a_100000181355_200000210301 [1,1,0,0,0,0|1,0,0]=3 10038 B11R1.222 CNC(C)c1ccccc1Cl 2230a_100000174978_200000210301 [1,1,0,0,0,0|0,0,0]=2 10039 B11R1.222 CNC(C)c1ccccc1Cl 2230a_106832991635_100000181259 [1,1,0,0,0,0|0,0,0]=2 10040 B11R1.222 CNC(C)c1ccccc1Cl 269862a_106832991636_100000210134 [1,1,0,0,0,0|0,0,0]=2 10041 B11R1.222 CNC(C)c1ccccc1Cl 34a_100000174978_200000210301 [1,1,0,0,0,0|0,0,0]=2 10042 B11R1.222 CNC(C)c1ccccc1Cl 7a_106832991635_100000181259 [1,1,0,0,0,0|0,0,0]=2 10043 B11R1.222 CNC(C)c1ccccc1F 2230a_100000181408_200000210301 [1,1,0,0,0,0|0,1,0]=3 10044 B11R1.222 CNC(C)c1ccccc1F 2230a_106832991635_200000741388 [1,1,0,0,0,0|0,1,0]=3 10045 B11R1.222 CNC(C)c1ccccc1F 269862a_106832991636_100000210632 [1,1,0,0,0,0|0,1,0]=3 10046 B11R1.222 CNC(C)c1ccccc1F 34a_100000181408_200000210301 [1,1,0,0,0,0|0,1,0]=3 10047 B11R1.222 CNC(C)c1ccccc1F 34a_100102657272_200000741388 [1,1,0,0,0,0|0,1,0]=3 10048 B11R1.222 CNC(C)c1ccccc1F 7a_106832991635_200000741388 [1,1,0,0,0,0|0,1,0]=3 10049 B11R1.222 CNC(C)c1ccccc1I 269862a_106832991636_100000751169 [1,1,0,0,0,0|0,1,0]=3 10050 B11R1.222 CNC(C)c1ccccc1O 271570a_203496583355_100000692418 [1,1,0,0,0,0|1,0,0]=3 10051 B11R1.222 CNC(C)c1cccnc1C 269862a_106832991636_100011995960 [1,1,0,0,0,0|2,0,0]=4 10052 B11R1.222 CNC(C)c1cccnc1O 2230a_100159269580_200000210301 [1,1,0,0,0,0|2,0,0]=4 10053 B11R1.222 CNC(C)c1ccncc1Br 269862a_106832991636_100009993184 [1,1,0,0,0,0|1,1,0]=4 10054 B11R1.222 CNC(C)c1ccncc1Cl 269862a_106832991636_100012001414 [1,1,0,0,0,0|1,0,0]=3 10055 B11R1.222 CNC(C)c1ccncc1F 269862a_106832991636_100000727669 [1,1,0,0,0,0|1,1,0]=4 10056 B11R1.222 CNC(C)c1cnccc1C 269862a_106832991636_100000693228 [1,1,0,0,0,0|2,0,0]=4 10057 B11R1.222 CNC(C)c1cnccc1Cl 269862a_106832991636_100160469449 [1,1,0,0,0,0|1,0,0]=3 10058 B11R1.222 CNC(C)c1ncccc1Br 2230a_100159271932_200000210301 [1,1,0,0,0,0|1,1,0]=4 10059 B11R1.222 CNC(C)c1ncccc1Br 269862a_106832991636_100012348690 [1,1,0,0,0,0|1,1,0]=4 10060 B11R1.222 CNC(C)c1ncccc1C 2230a_100011536111_200000210301 [1,1,0,0,0,0|2,0,0]=4 10061 B11R1.222 CNC(C)c1ncccc1C 269862a_106832991636_100011536074 [1,1,0,0,0,0|2,0,0]=4 10062 B11R1.222 CNC(C)c1ncccc1Cl 269862a_106832991636_100015267551 [1,1,0,0,0,0|1,0,0]=3 10063 B11R1.222 CNC(C)c1ncccc1F 269862a_106832991636_100011997767 [1,1,0,0,0,0|1,1,0]=4 10064 B11R1.222 CNC(C)c1ncccc1I 269862a_106832991636_200015599370 [1,1,0,0,0,0|1,1,0]=4 10065 B11R1.222 CNC(C)c1nccnc1Cl 269862a_106832991636_100000099859 [1,1,0,0,0,0|2,0,0]=4 10066 B11R1.222 CN[C@H](C)c1ccccc1O 2230a_100025703389_200000210301 [1,1,0,0,0,0|1,0,0]=3 10067 B11R1.222 COC(C)c1ccccc1Br 34a_100000702211_200000210301 [1,1,0,0,0,0|1,1,0]=4 10068 B11R1.222 COC(C)c1ccccc1Br 7a_100000702211_200000210301 [1,1,0,0,0,0|1,1,0]=4 10069 B11R1.222 COC(C)c1ccccc1C 34a_100000742021_200000210301 [1,1,0,0,0,0|2,0,0]=4 10070 B11R1.222 COC(C)c1ccccc1C 7a_100000742021_200000210301 [1,1,0,0,0,0|2,0,0]=4 10071 B11R1.222 COC(C)c1ccccc1Cl 34a_100000740796_200000210301 [1,1,0,0,0,0|1,0,0]=3 10072 B11R1.222 COC(C)c1ccccc1Cl 7a_100000740796_200000210301 [1,1,0,0,0,0|1,0,0]=3 10073 B11R1.222 COC(C)c1ccccc1F 34a_100000697922_200000210301 [1,1,0,0,0,0|1,1,0]=4 10074 B11R1.222 COC(C)c1ccccc1F 34a_100138415774_200000741388 [1,1,0,0,0,0|1,1,0]=4 10075 B11R1.222 COC(C)c1ccccc1F 7a_100000697922_200000210301 [1,1,0,0,0,0|1,1,0]=4 10076 B11R1.222 COC(C)c1ccccc1N 7a_100011405641_200000210301 [1,1,0,0,0,0|2,0,0]=4 10077 B11R1.222 COC(C)c1cccnc1Cl 34a_100009865335_200000210301 [1,1,0,0,0,0|2,0,0]=4 10078 B11R1.222 COC(C)c1cccnc1Cl 7a_100009865335_200000210301 [1,1,0,0,0,0|2,0,0]=4 10079 B11R1.222 CSC(C)c1ccccc1Cl 62a_100000181259_200000210301 [1,1,0,0,0,0|1,0,0]=3 10080 B11R1.222 CSC(C)c1ccccc1Cl 62a_200000210301_100000181259 [1,1,0,0,0,0|1,0,0]=3 10081 B11R1.222 CSC(C)c1ccccc1F 62a_200000210301_200000741388 [1,1,0,0,0,0|1,1,0]=4 10082 B11R1.222 CSC(C)c1ccccc1F 62a_200000741388_200000210301 [1,1,0,0,0,0|1,1,0]=4 10083 B11R1.222 C[C@@H](N[13CH3])c1ccccc1O 2230a_100025703389_200025704644 [1,1,0,0,0,0|1,0,0]=3 10084 B11R1.222 Cc1ccccc1C(C)N[13CH3] 2230a_100000181355_200025704644 [1,1,0,0,0,0|1,0,0]=3 10085 B11R1.222 Cc1ccccc1C(C)N[13CH3] 34a_100000181355_200025704644 [1,1,0,0,0,0|1,0,0]=3 10086 B11R1.222 Cc1ccccc1C(C)O[13CH3] 34a_100000742021_200025704644 [1,1,0,0,0,0|2,0,0]=4 10087 B11R1.222 Cc1ccccc1C(C)O[13CH3] 7a_100000742021_200025704644 [1,1,0,0,0,0|2,0,0]=4 10088 B11R1.222 Cc1cccnc1C(C)N[13CH3] 2230a_100011536111_200025704644 [1,1,0,0,0,0|2,0,0]=4 10089 B11R1.222 NCC(O)c1ccccc1O 271570a_203496583355_100011236429 [1,1,0,0,0,0|1,0,0]=3 10090 B11R1.222 N[C@H](CO)c1ccccc1O 271570a_203496583355_100161155918 [1,1,0,0,0,0|2,0,0]=4 10091 B11R1.222 O=C(CF)c1ccccc1Cl 1458a_100000185844_100015361967 [1,1,0,0,0,0|1,0,1]=4 10092 B11R1.605 CC=Cc1c(cccc1Br)Cl 271570a_100016259895_100010214488 [1,1,0,0,0,0|0,0,2]=4 10093 B11R1.605 CC=Cc1c(cccc1Cl)C 271570a_100016259895_100000043165 [1,1,0,0,0,0|0,0,2]=4 10094 B11R1.605 CC=Cc1c(cccc1Cl)Cl 271570a_100016259895_100000034237 [1,1,0,0,0,0|0,0,2]=4 10095 B11R1.605 CC=Cc1c(cccc1Cl)F 271570a_100016259895_100000050007 [1,1,0,0,0,0|0,0,2]=4 10096 B11R1.605 CC=Cc1c(cccc1Cl)N 271570a_100016259895_100000049713 [1,1,0,0,0,0|0,0,2]=4 10097 B11R1.605 CC=Cc1c(cccc1Cl)O 271570a_100016259895_100000050174 [1,1,0,0,0,0|0,0,2]=4 10098 B11R1.605 CCNc1c(cccc1Br)Br 34a_100000690995_100000210202 [1,1,0,0,0,0|1,1,0]=4 10099 B11R1.605 CCNc1c(cccc1Br)C 34a_100011834072_100000210202 [1,1,0,0,0,0|1,1,0]=4 10100 B11R1.605 CCNc1c(cccc1Br)Cl 34a_100102946385_100000210202 [1,1,0,0,0,0|1,0,0]=3 10101 B11R1.605 CCNc1c(cccc1Br)F 34a_100000684712_100000210202 [1,1,0,0,0,0|1,1,0]=4 10102 B11R1.605 CCNc1c(cccc1Br)O 34a_100011934926_100000210202 [1,1,0,0,0,0|1,1,0]=4 10103 B11R1.605 CCNc1c(cccc1C)C 34a_100000185769_100000210202 [1,1,0,0,0,0|2,0,0]=4 10104 B11R1.605 CCNc1c(cccc1Cl)C 34a_100000756524_100000210202 [1,1,0,0,0,0|1,0,0]=3 10105 B11R1.605 CCNc1c(cccc1Cl)Cl 34a_100000210028_100000210202 [1,1,0,0,0,0|1,0,0]=3 10106 B11R1.605 CCNc1c(cccc1Cl)F 34a_100000760031_100000210202 [1,1,0,0,0,0|1,0,0]=3 10107 B11R1.605 CCNc1c(cccc1Cl)O 34a_100012022510_100000210202 [1,1,0,0,0,0|1,0,0]=3 10108 B11R1.605 CCNc1c(cccc1F)C 34a_100000766463_100000210202 [1,1,0,0,0,0|1,1,0]=4 10109 B11R1.605 CCNc1c(cccc1F)F 2230a_100000210704_100000210202 [1,1,0,0,0,0|1,1,0]=4 10110 B11R1.605 CCNc1c(cccc1F)F 34a_100000210704_100000210202 [1,1,0,0,0,0|1,1,0]=4 10111 B11R1.605 CCNc1c(cccc1F)O 34a_100020591140_100000210202 [1,1,0,0,0,0|1,1,0]=4 10112 B11R1.605 CCNc1c(cccc1I)F 34a_100000042321_100000210202 [1,1,0,0,0,0|1,1,0]=4 10113 B11R1.605 CCNc1c(cccc1O)C 34a_100000743429_100000210202 [1,1,0,0,0,0|2,0,0]=4 10114 B11R1.605 CCOc1c(cccc1Br)Br 34a_100000736428_100000210202 [1,1,0,0,0,0|1,1,0]=4 10115 B11R1.605 CCOc1c(cccc1Br)Br 7a_100000736428_100000210202 [1,1,0,0,0,0|1,1,0]=4 10116 B11R1.605 CCOc1c(cccc1Br)C 34a_100009817157_100000210202 [1,1,0,0,0,0|1,1,0]=4 10117 B11R1.605 CCOc1c(cccc1Br)C 7a_100009817157_100000210202 [1,1,0,0,0,0|1,1,0]=4 10118 B11R1.605 CCOc1c(cccc1Br)Cl 34a_100010214474_100000210202 [1,1,0,0,0,0|1,0,0]=3 10119 B11R1.605 CCOc1c(cccc1Br)Cl 7a_100010214474_100000210202 [1,1,0,0,0,0|1,0,0]=3 10120 B11R1.605 CCOc1c(cccc1Br)F 34a_100009813666_100000210202 [1,1,0,0,0,0|1,1,0]=4 10121 B11R1.605 CCOc1c(cccc1Br)F 7a_100009813666_100000210202 [1,1,0,0,0,0|1,1,0]=4 10122 B11R1.605 CCOc1c(cccc1Br)N 34a_100011934915_100000210202 [1,1,0,0,0,0|1,1,0]=4 10123 B11R1.605 CCOc1c(cccc1C)C 34a_100000210341_100000210202 [1,1,0,0,0,0|2,0,0]=4 10124 B11R1.605 CCOc1c(cccc1C)C 7a_100000210341_100000210202 [1,1,0,0,0,0|2,0,0]=4 10125 B11R1.605 CCOc1c(cccc1Cl)C 34a_100000033731_100000210202 [1,1,0,0,0,0|1,0,0]=3 10126 B11R1.605 CCOc1c(cccc1Cl)C 7a_100000033731_100000210202 [1,1,0,0,0,0|1,0,0]=3 10127 B11R1.605 CCOc1c(cccc1Cl)Cl 34a_100000211709_100000210202 [1,1,0,0,0,0|1,0,0]=3 10128 B11R1.605 CCOc1c(cccc1Cl)Cl 7a_100000211709_100000210202 [1,1,0,0,0,0|1,0,0]=3 10129 B11R1.605 CCOc1c(cccc1Cl)F 34a_100000694953_100000210202 [1,1,0,0,0,0|1,0,0]=3 10130 B11R1.605 CCOc1c(cccc1Cl)F 7a_100000694953_100000210202 [1,1,0,0,0,0|1,0,0]=3 10131 B11R1.605 CCOc1c(cccc1Cl)N 34a_100000754742_100000210202 [1,1,0,0,0,0|1,0,0]=3 10132 B11R1.605 CCOc1c(cccc1F)C 34a_100011659162_100000210202 [1,1,0,0,0,0|1,1,0]=4 10133 B11R1.605 CCOc1c(cccc1F)C 7a_100011659162_100000210202 [1,1,0,0,0,0|1,1,0]=4 10134 B11R1.605 CCOc1c(cccc1F)F 34a_100000230165_100000210202 [1,1,0,0,0,0|1,1,0]=4 10135 B11R1.605 CCOc1c(cccc1F)F 7a_100000230165_100000210202 [1,1,0,0,0,0|1,1,0]=4 10136 B11R1.605 CCOc1c(cccc1F)N 34a_100011934987_100000210202 [1,1,0,0,0,0|1,1,0]=4 10137 B11R1.605 CCOc1c(cccc1F)O 271570a_203496583355_100010232518 [1,1,0,0,0,0|1,1,0]=4 10138 B11R1.605 CCOc1c(cccc1I)Br 34a_100010084509_100000210202 [1,1,0,0,0,0|1,1,0]=4 10139 B11R1.605 CCOc1c(cccc1I)Br 7a_100010084509_100000210202 [1,1,0,0,0,0|1,1,0]=4 10140 B11R1.605 CCOc1c(cccc1I)Cl 34a_100010202889_100000210202 [1,1,0,0,0,0|1,0,0]=3 10141 B11R1.605 CCOc1c(cccc1I)Cl 7a_100010202889_100000210202 [1,1,0,0,0,0|1,0,0]=3 10142 B11R1.605 CCOc1c(cccc1I)F 34a_100010186298_100000210202 [1,1,0,0,0,0|1,1,0]=4 10143 B11R1.605 CCOc1c(cccc1I)F 7a_100010186298_100000210202 [1,1,0,0,0,0|1,1,0]=4 10144 B11R1.605 CCOc1c(cccc1I)N 34a_100010084371_100000210202 [1,1,0,0,0,0|1,1,0]=4 10145 B11R1.605 CCOc1c(cccc1N)C 34a_100000756359_100000210202 [1,1,0,0,0,0|2,0,0]=4 10146 B11R1.605 CCOc1c(cccc1N)C 7a_100000756359_100000210202 [1,1,0,0,0,0|2,0,0]=4 10147 B11R1.605 CCOc1c(cccc1N)N 34a_200016994477_100000210202 [1,1,0,0,0,0|2,0,0]=4 10148 B11R1.605 CCOc1c(ccnc1Cl)C 34a_100000696282_100000210202 [1,1,0,0,0,0|2,0,0]=4 10149 B11R1.605 CCOc1c(ccnc1Cl)C 7a_100000696282_100000210202 [1,1,0,0,0,0|2,0,0]=4 10150 B11R1.605 CCOc1c(ccnc1Cl)Cl 34a_100000118450_100000210202 [1,1,0,0,0,0|2,0,0]=4 10151 B11R1.605 CCOc1c(ccnc1Cl)Cl 7a_100000118450_100000210202 [1,1,0,0,0,0|2,0,0]=4 10152 B11R1.605 CCOc1c(ccnc1Cl)F 34a_100009867227_100000210202 [1,1,0,0,0,0|2,0,0]=4 10153 B11R1.605 CCOc1c(ccnc1Cl)F 7a_100009867227_100000210202 [1,1,0,0,0,0|2,0,0]=4 10154 B11R1.605 CCOc1c(ccnc1Cl)I 34a_100010067911_100000210202 [1,1,0,0,0,0|2,0,0]=4 10155 B11R1.605 CCOc1c(ccnc1Cl)I 7a_100010067911_100000210202 [1,1,0,0,0,0|2,0,0]=4 10156 B11R1.605 CCOc1c(ccnc1Cl)N 34a_100009844647_100000210202 [1,1,0,0,0,0|2,0,0]=4 10157 B11R1.605 CCOc1c(ccnc1Cl)N 7a_100009844647_100000210202 [1,1,0,0,0,0|2,0,0]=4 10158 B11R1.605 CCSc1c(cccc1Br)Br 62a_100000210202_100009994525 [1,1,0,0,0,0|1,1,0]=4 10159 B11R1.605 CCSc1c(cccc1Br)Br 62a_100009994525_100000210202 [1,1,0,0,0,0|1,1,0]=4 10160 B11R1.605 CCSc1c(cccc1Br)C 62a_100000210202_100010141302 [1,1,0,0,0,0|1,1,0]=4 10161 B11R1.605 CCSc1c(cccc1Br)C 62a_100010141302_100000210202 [1,1,0,0,0,0|1,1,0]=4 10162 B11R1.605 CCSc1c(cccc1Br)Cl 62a_100000210202_100010214488 [1,1,0,0,0,0|1,0,0]=3 10163 B11R1.605 CCSc1c(cccc1Br)Cl 62a_100010214488_100000210202 [1,1,0,0,0,0|1,0,0]=3 10164 B11R1.605 CCSc1c(cccc1Br)F 62a_100000210202_100011219512 [1,1,0,0,0,0|1,1,0]=4 10165 B11R1.605 CCSc1c(cccc1Br)F 62a_100011219512_100000210202 [1,1,0,0,0,0|1,1,0]=4 10166 B11R1.605 CCSc1c(cccc1Br)N 62a_100000210202_100020590159 [1,1,0,0,0,0|1,1,0]=4 10167 B11R1.605 CCSc1c(cccc1Br)N 62a_100020590159_100000210202 [1,1,0,0,0,0|1,1,0]=4 10168 B11R1.605 CCSc1c(cccc1Br)O 62a_100000210202_100010187912 [1,1,0,0,0,0|1,1,0]=4 10169 B11R1.605 CCSc1c(cccc1Br)O 62a_100010187912_100000210202 [1,1,0,0,0,0|1,1,0]=4 10170 B11R1.605 CCSc1c(cccc1C)C 62a_100000033847_100000210202 [1,1,0,0,0,0|2,0,0]=4 10171 B11R1.605 CCSc1c(cccc1C)C 62a_100000210202_100000033847 [1,1,0,0,0,0|2,0,0]=4 10172 B11R1.605 CCSc1c(cccc1Cl)C 62a_100000043165_100000210202 [1,1,0,0,0,0|1,0,0]=3 10173 B11R1.605 CCSc1c(cccc1Cl)C 62a_100000210202_100000043165 [1,1,0,0,0,0|1,0,0]=3 10174 B11R1.605 CCSc1c(cccc1Cl)Cl 62a_100000034237_100000210202 [1,1,0,0,0,0|1,0,0]=3 10175 B11R1.605 CCSc1c(cccc1Cl)Cl 62a_100000210202_100000034237 [1,1,0,0,0,0|1,0,0]=3 10176 B11R1.605 CCSc1c(cccc1Cl)F 62a_100000050007_100000210202 [1,1,0,0,0,0|1,0,0]=3 10177 B11R1.605 CCSc1c(cccc1Cl)F 62a_100000210202_100000050007 [1,1,0,0,0,0|1,0,0]=3 10178 B11R1.605 CCSc1c(cccc1Cl)N 62a_100000049713_100000210202 [1,1,0,0,0,0|1,0,0]=3 10179 B11R1.605 CCSc1c(cccc1Cl)N 62a_100000210202_100000049713 [1,1,0,0,0,0|1,0,0]=3 10180 B11R1.605 CCSc1c(cccc1Cl)O 62a_100000210202_100000050174 [1,1,0,0,0,0|1,0,0]=3 10181 B11R1.605 CCSc1c(cccc1F)C 62a_100000210202_100011218421 [1,1,0,0,0,0|1,1,0]=4 10182 B11R1.605 CCSc1c(cccc1F)C 62a_100011218421_100000210202 [1,1,0,0,0,0|1,1,0]=4 10183 B11R1.605 CCSc1c(cccc1F)F 62a_100000210202_100000693133 [1,1,0,0,0,0|1,1,0]=4 10184 B11R1.605 CCSc1c(cccc1F)F 62a_100000693133_100000210202 [1,1,0,0,0,0|1,1,0]=4 10185 B11R1.605 CCSc1c(cccc1F)N 62a_100000210202_100000690935 [1,1,0,0,0,0|1,1,0]=4 10186 B11R1.605 CCSc1c(cccc1F)N 62a_100000690935_100000210202 [1,1,0,0,0,0|1,1,0]=4 10187 B11R1.605 CCSc1c(cccc1F)O 62a_100000210202_100009820682 [1,1,0,0,0,0|1,1,0]=4 10188 B11R1.605 CCSc1c(cccc1F)O 62a_100009820682_100000210202 [1,1,0,0,0,0|1,1,0]=4 10189 B11R1.605 CCSc1c(cccc1N)C 62a_100000210202_100000684715 [1,1,0,0,0,0|2,0,0]=4 10190 B11R1.605 CCSc1c(cccc1N)C 62a_100000684715_100000210202 [1,1,0,0,0,0|2,0,0]=4 10191 B11R1.605 CCSc1c(cccc1O)C 62a_100000210202_100000686692 [1,1,0,0,0,0|2,0,0]=4 10192 B11R1.605 CCSc1c(cccc1O)C 62a_100000686692_100000210202 [1,1,0,0,0,0|2,0,0]=4 10193 B11R1.605 CCSc1c(cccc1O)N 62a_100000210202_100012183704 [1,1,0,0,0,0|2,0,0]=4 10194 B11R1.605 CCSc1c(cccc1O)N 62a_100012183704_100000210202 [1,1,0,0,0,0|2,0,0]=4 10195 B11R1.605 CCSc1c(cccc1O)O 62a_100000210202_100010205330 [1,1,0,0,0,0|2,0,0]=4 10196 B11R1.605 CCSc1c(ccnc1Cl)Br 62a_100000210202_100009814607 [1,1,0,0,0,0|2,0,0]=4 10197 B11R1.605 CCSc1c(ccnc1Cl)Br 62a_100009814607_100000210202 [1,1,0,0,0,0|2,0,0]=4 10198 B11R1.605 CCSc1c(ccnc1Cl)C 62a_100000210202_100010248874 [1,1,0,0,0,0|2,0,0]=4 10199 B11R1.605 CCSc1c(ccnc1Cl)C 62a_100010248874_100000210202 [1,1,0,0,0,0|2,0,0]=4 10200 B11R1.605 CCSc1c(ccnc1Cl)Cl 62a_100000050019_100000210202 [1,1,0,0,0,0|2,0,0]=4 10201 B11R1.605 CCSc1c(ccnc1Cl)Cl 62a_100000210202_100000050019 [1,1,0,0,0,0|2,0,0]=4 10202 B11R1.605 CCSc1c(ccnc1Cl)F 62a_100000210202_100000716511 [1,1,0,0,0,0|2,0,0]=4 10203 B11R1.605 CCSc1c(ccnc1Cl)F 62a_100000716511_100000210202 [1,1,0,0,0,0|2,0,0]=4 10204 B11R1.605 CCSc1c(ccnc1Cl)N 62a_100000210202_100010208016 [1,1,0,0,0,0|2,0,0]=4 10205 B11R1.605 CCSc1c(ccnc1Cl)N 62a_100010208016_100000210202 [1,1,0,0,0,0|2,0,0]=4 10206 B11R1.605 CCSc1c(ccnc1N)Cl 62a_100000210202_100010199028 [1,1,0,0,0,0|2,0,0]=4 10207 B11R1.605 CCSc1c(ccnc1N)Cl 62a_100010199028_100000210202 [1,1,0,0,0,0|2,0,0]=4 10208 B11R1.605 CCSc1c(cncc1Cl)Cl 62a_100000036193_100000210202 [1,1,0,0,0,0|2,0,0]=4 10209 B11R1.605 CCSc1c(cncc1Cl)Cl 62a_100000210202_100000036193 [1,1,0,0,0,0|2,0,0]=4 10210 B11R1.605 CNCc1c(cccc1Br)Br 207a_100102657272_100010233043 [1,1,0,0,0,0|0,1,0]=3 10211 B11R1.605 CNCc1c(cccc1Br)Br 26a_100102657272_100000736428 [1,1,0,0,0,0|0,1,0]=3 10212 B11R1.605 CNCc1c(cccc1Br)Br 270004a_106832991635_100010233043 [1,1,0,0,0,0|0,1,0]=3 10213 B11R1.605 CNCc1c(cccc1Br)C 207a_100102657272_100009881667 [1,1,0,0,0,0|0,1,0]=3 10214 B11R1.605 CNCc1c(cccc1Br)C 2230a_106832991635_100010146847 [1,1,0,0,0,0|0,1,0]=3 10215 B11R1.605 CNCc1c(cccc1Br)C 26a_100102657272_100009817157 [1,1,0,0,0,0|0,1,0]=3 10216 B11R1.605 CNCc1c(cccc1Br)C 270004a_106832991635_100009881667 [1,1,0,0,0,0|0,1,0]=3 10217 B11R1.605 CNCc1c(cccc1Br)C 34a_100102657272_100010146847 [1,1,0,0,0,0|0,1,0]=3 10218 B11R1.605 CNCc1c(cccc1Br)C 7a_106832991635_100010146847 [1,1,0,0,0,0|0,1,0]=3 10219 B11R1.605 CNCc1c(cccc1Br)Cl 207a_100102657272_100011249081 [1,1,0,0,0,0|0,0,0]=2 10220 B11R1.605 CNCc1c(cccc1Br)Cl 2230a_106832991635_100010138402 [1,1,0,0,0,0|0,0,0]=2 10221 B11R1.605 CNCc1c(cccc1Br)Cl 26a_100102657272_100010214474 [1,1,0,0,0,0|0,0,0]=2 10222 B11R1.605 CNCc1c(cccc1Br)Cl 270004a_106832991635_100011249081 [1,1,0,0,0,0|0,0,0]=2 10223 B11R1.605 CNCc1c(cccc1Br)Cl 34a_100102657272_100010138402 [1,1,0,0,0,0|0,0,0]=2 10224 B11R1.605 CNCc1c(cccc1Br)Cl 7a_106832991635_100010138402 [1,1,0,0,0,0|0,0,0]=2 10225 B11R1.605 CNCc1c(cccc1Br)F 207a_100102657272_100000752695 [1,1,0,0,0,0|0,1,0]=3 10226 B11R1.605 CNCc1c(cccc1Br)F 2230a_106832991635_100012145669 [1,1,0,0,0,0|0,1,0]=3 10227 B11R1.605 CNCc1c(cccc1Br)F 26a_100102657272_100009813666 [1,1,0,0,0,0|0,1,0]=3 10228 B11R1.605 CNCc1c(cccc1Br)F 270004a_106832991635_100000752695 [1,1,0,0,0,0|0,1,0]=3 10229 B11R1.605 CNCc1c(cccc1Br)F 34a_100012349121_200000210301 [1,1,0,0,0,0|0,1,0]=3 10230 B11R1.605 CNCc1c(cccc1Br)F 34a_100102657272_100012145669 [1,1,0,0,0,0|0,1,0]=3 10231 B11R1.605 CNCc1c(cccc1Br)F 7a_106832991635_100000696636 [1,1,0,0,0,0|0,1,0]=3 10232 B11R1.605 CNCc1c(cccc1C)C 207a_100102657272_100000758299 [1,1,0,0,0,0|1,0,0]=3 10233 B11R1.605 CNCc1c(cccc1C)C 2230a_106832991635_100000758300 [1,1,0,0,0,0|1,0,0]=3 10234 B11R1.605 CNCc1c(cccc1C)C 270004a_106832991635_100000758299 [1,1,0,0,0,0|1,0,0]=3 10235 B11R1.605 CNCc1c(cccc1C)C 34a_100000689800_200000210301 [1,1,0,0,0,0|1,0,0]=3 10236 B11R1.605 CNCc1c(cccc1C)C 34a_100102657272_100000758300 [1,1,0,0,0,0|1,0,0]=3 10237 B11R1.605 CNCc1c(cccc1C)C 7a_106832991635_100000758300 [1,1,0,0,0,0|1,0,0]=3 10238 B11R1.605 CNCc1c(cccc1Cl)C 207a_100102657272_100000041122 [1,1,0,0,0,0|0,0,0]=2 10239 B11R1.605 CNCc1c(cccc1Cl)C 270004a_106832991635_100000041122 [1,1,0,0,0,0|0,0,0]=2 10240 B11R1.605 CNCc1c(cccc1Cl)Cl 207a_100102657272_100000189306 [1,1,0,0,0,0|0,0,0]=2 10241 B11R1.605 CNCc1c(cccc1Cl)Cl 2230a_100000174884_200000210301 [1,1,0,0,0,0|0,0,0]=2 10242 B11R1.605 CNCc1c(cccc1Cl)Cl 2230a_106832991635_100000187851 [1,1,0,0,0,0|0,0,0]=2 10243 B11R1.605 CNCc1c(cccc1Cl)Cl 26a_100102657272_100000211709 [1,1,0,0,0,0|0,0,0]=2 10244 B11R1.605 CNCc1c(cccc1Cl)Cl 270004a_106832991635_100000189306 [1,1,0,0,0,0|0,0,0]=2 10245 B11R1.605 CNCc1c(cccc1Cl)Cl 34a_100000174884_200000210301 [1,1,0,0,0,0|0,0,0]=2 10246 B11R1.605 CNCc1c(cccc1Cl)Cl 34a_100102657272_100000187851 [1,1,0,0,0,0|0,0,0]=2 10247 B11R1.605 CNCc1c(cccc1Cl)Cl 7a_106832991635_100000187851 [1,1,0,0,0,0|0,0,0]=2 10248 B11R1.605 CNCc1c(cccc1Cl)F 207a_100102657272_100000210083 [1,1,0,0,0,0|0,0,0]=2 10249 B11R1.605 CNCc1c(cccc1Cl)F 2230a_106832991635_100000187852 [1,1,0,0,0,0|0,0,0]=2 10250 B11R1.605 CNCc1c(cccc1Cl)F 270004a_106832991635_100000210083 [1,1,0,0,0,0|0,0,0]=2 10251 B11R1.605 CNCc1c(cccc1Cl)F 34a_100000174883_200000210301 [1,1,0,0,0,0|0,0,0]=2 10252 B11R1.605 CNCc1c(cccc1Cl)F 34a_100102657272_100000187852 [1,1,0,0,0,0|0,0,0]=2 10253 B11R1.605 CNCc1c(cccc1Cl)F 7a_106832991635_100000187852 [1,1,0,0,0,0|0,0,0]=2 10254 B11R1.605 CNCc1c(cccc1F)C 207a_100102657272_100000069827 [1,1,0,0,0,0|0,1,0]=3 10255 B11R1.605 CNCc1c(cccc1F)C 2230a_106832991635_100009814554 [1,1,0,0,0,0|0,1,0]=3 10256 B11R1.605 CNCc1c(cccc1F)C 270004a_106832991635_100000069827 [1,1,0,0,0,0|0,1,0]=3 10257 B11R1.605 CNCc1c(cccc1F)C 34a_100000762012_200000210301 [1,1,0,0,0,0|0,1,0]=3 10258 B11R1.605 CNCc1c(cccc1F)C 34a_100102657272_100009814554 [1,1,0,0,0,0|0,1,0]=3 10259 B11R1.605 CNCc1c(cccc1F)C 7a_106832991635_100009814554 [1,1,0,0,0,0|0,1,0]=3 10260 B11R1.605 CNCc1c(cccc1F)F 207a_100102657272_100000211061 [1,1,0,0,0,0|0,1,0]=3 10261 B11R1.605 CNCc1c(cccc1F)F 2230a_106832991635_100000698325 [1,1,0,0,0,0|0,1,0]=3 10262 B11R1.605 CNCc1c(cccc1F)F 270004a_106832991635_100000211061 [1,1,0,0,0,0|0,1,0]=3 10263 B11R1.605 CNCc1c(cccc1F)F 34a_100000688400_200000210301 [1,1,0,0,0,0|0,1,0]=3 10264 B11R1.605 CNCc1c(cccc1F)F 34a_100102657272_100000698325 [1,1,0,0,0,0|0,1,0]=3 10265 B11R1.605 CNCc1c(cccc1F)F 7a_106832991635_100000698325 [1,1,0,0,0,0|0,1,0]=3 10266 B11R1.605 CNCc1c(cccc1F)O 271570a_203496583355_106744473292 [1,1,0,0,0,0|0,1,0]=3 10267 B11R1.605 CNCc1c(cccc1I)Br 2230a_106832991635_100010146611 [1,1,0,0,0,0|0,1,0]=3 10268 B11R1.605 CNCc1c(cccc1I)Br 26a_100102657272_100010084509 [1,1,0,0,0,0|0,1,0]=3 10269 B11R1.605 CNCc1c(cccc1I)Br 34a_100102657272_100010146611 [1,1,0,0,0,0|0,1,0]=3 10270 B11R1.605 CNCc1c(cccc1I)Br 7a_106832991635_100010146611 [1,1,0,0,0,0|0,1,0]=3 10271 B11R1.605 CNCc1c(cccc1I)C 2230a_106832991635_100010150146 [1,1,0,0,0,0|0,1,0]=3 10272 B11R1.605 CNCc1c(cccc1I)C 34a_100102657272_100010150146 [1,1,0,0,0,0|0,1,0]=3 10273 B11R1.605 CNCc1c(cccc1I)C 7a_106832991635_100010150146 [1,1,0,0,0,0|0,1,0]=3 10274 B11R1.605 CNCc1c(cccc1I)Cl 207a_100102657272_100010147682 [1,1,0,0,0,0|0,0,0]=2 10275 B11R1.605 CNCc1c(cccc1I)Cl 270004a_106832991635_100010147682 [1,1,0,0,0,0|0,0,0]=2 10276 B11R1.605 CNCc1c(cccc1I)F 207a_100102657272_100010178011 [1,1,0,0,0,0|0,1,0]=3 10277 B11R1.605 CNCc1c(cccc1I)F 2230a_106832991635_100010149602 [1,1,0,0,0,0|0,1,0]=3 10278 B11R1.605 CNCc1c(cccc1I)F 270004a_106832991635_100010178011 [1,1,0,0,0,0|0,1,0]=3 10279 B11R1.605 CNCc1c(cccc1I)F 34a_100102657272_100010149602 [1,1,0,0,0,0|0,1,0]=3 10280 B11R1.605 CNCc1c(cccc1I)F 7a_106832991635_100010149602 [1,1,0,0,0,0|0,1,0]=3 10281 B11R1.605 CNCc1c(ccnc1F)C 207a_100102657272_100000087869 [1,1,0,0,0,0|1,1,0]=4 10282 B11R1.605 CNCc1c(cncc1Br)Br 207a_100102657272_100000689152 [1,1,0,0,0,0|1,1,0]=4 10283 B11R1.605 CNCc1c(cncc1Br)Br 270004a_106832991635_100000689152 [1,1,0,0,0,0|1,1,0]=4 10284 B11R1.605 CNCc1c(cncc1Br)Cl 207a_100102657272_100010064873 [1,1,0,0,0,0|1,0,0]=3 10285 B11R1.605 CNCc1c(cncc1Br)Cl 270004a_106832991635_100010064873 [1,1,0,0,0,0|1,0,0]=3 10286 B11R1.605 CNCc1c(cncc1Br)F 207a_100102657272_100010064882 [1,1,0,0,0,0|1,1,0]=4 10287 B11R1.605 CNCc1c(cncc1Br)F 270004a_106832991635_100010064882 [1,1,0,0,0,0|1,1,0]=4 10288 B11R1.605 CNCc1c(cncc1Cl)Cl 207a_100102657272_100000067493 [1,1,0,0,0,0|1,0,0]=3 10289 B11R1.605 CNCc1c(cncc1Cl)Cl 2230a_106832991635_200009872113 [1,1,0,0,0,0|1,0,0]=3 10290 B11R1.605 CNCc1c(cncc1Cl)Cl 270004a_106832991635_100000067493 [1,1,0,0,0,0|1,0,0]=3 10291 B11R1.605 CNCc1c(cncc1Cl)Cl 34a_100102657272_200009872113 [1,1,0,0,0,0|1,0,0]=3 10292 B11R1.605 CNCc1c(cncc1Cl)Cl 7a_106832991635_200009872113 [1,1,0,0,0,0|1,0,0]=3 10293 B11R1.605 CNCc1c(cncc1F)F 207a_100102657272_100000068831 [1,1,0,0,0,0|1,1,0]=4 10294 B11R1.605 COCc1c(cccc1Br)Br 34a_100010172814_200000210301 [1,1,0,0,0,0|1,1,0]=4 10295 B11R1.605 COCc1c(cccc1Br)Br 7a_100010172814_200000210301 [1,1,0,0,0,0|1,1,0]=4 10296 B11R1.605 COCc1c(cccc1Br)C 34a_100138415774_100010146847 [1,1,0,0,0,0|1,1,0]=4 10297 B11R1.605 COCc1c(cccc1Br)Cl 34a_100138415774_100010138402 [1,1,0,0,0,0|1,0,0]=3 10298 B11R1.605 COCc1c(cccc1Br)F 34a_100012355691_200000210301 [1,1,0,0,0,0|1,1,0]=4 10299 B11R1.605 COCc1c(cccc1Br)F 34a_100138415774_100012145669 [1,1,0,0,0,0|1,1,0]=4 10300 B11R1.605 COCc1c(cccc1Br)F 7a_100012355691_200000210301 [1,1,0,0,0,0|1,1,0]=4 10301 B11R1.605 COCc1c(cccc1Br)N 34a_100000747656_200000210301 [1,1,0,0,0,0|1,1,0]=4 10302 B11R1.605 COCc1c(cccc1C)C 34a_100011933981_200000210301 [1,1,0,0,0,0|2,0,0]=4 10303 B11R1.605 COCc1c(cccc1C)C 34a_100138415774_100000758300 [1,1,0,0,0,0|2,0,0]=4 10304 B11R1.605 COCc1c(cccc1C)C 7a_100011933981_200000210301 [1,1,0,0,0,0|2,0,0]=4 10305 B11R1.605 COCc1c(cccc1Cl)C 34a_100000082531_200000210301 [1,1,0,0,0,0|1,0,0]=3 10306 B11R1.605 COCc1c(cccc1Cl)C 7a_100000082531_200000210301 [1,1,0,0,0,0|1,0,0]=3 10307 B11R1.605 COCc1c(cccc1Cl)Cl 34a_100000215722_200000210301 [1,1,0,0,0,0|1,0,0]=3 10308 B11R1.605 COCc1c(cccc1Cl)Cl 34a_100138415774_100000187851 [1,1,0,0,0,0|1,0,0]=3 10309 B11R1.605 COCc1c(cccc1Cl)Cl 7a_100000215722_200000210301 [1,1,0,0,0,0|1,0,0]=3 10310 B11R1.605 COCc1c(cccc1Cl)F 34a_100000215723_200000210301 [1,1,0,0,0,0|1,0,0]=3 10311 B11R1.605 COCc1c(cccc1Cl)F 34a_100138415774_100000187852 [1,1,0,0,0,0|1,0,0]=3 10312 B11R1.605 COCc1c(cccc1Cl)F 7a_100000215723_200000210301 [1,1,0,0,0,0|1,0,0]=3 10313 B11R1.605 COCc1c(cccc1Cl)N 34a_100011916388_200000210301 [1,1,0,0,0,0|1,0,0]=3 10314 B11R1.605 COCc1c(cccc1F)C 34a_100000057874_200000210301 [1,1,0,0,0,0|1,1,0]=4 10315 B11R1.605 COCc1c(cccc1F)C 34a_100138415774_100009814554 [1,1,0,0,0,0|1,1,0]=4 10316 B11R1.605 COCc1c(cccc1F)C 7a_100000057874_200000210301 [1,1,0,0,0,0|1,1,0]=4 10317 B11R1.605 COCc1c(cccc1F)F 34a_100000698215_200000210301 [1,1,0,0,0,0|1,1,0]=4 10318 B11R1.605 COCc1c(cccc1F)F 34a_100138415774_100000698325 [1,1,0,0,0,0|1,1,0]=4 10319 B11R1.605 COCc1c(cccc1F)F 7a_100000698215_200000210301 [1,1,0,0,0,0|1,1,0]=4 10320 B11R1.605 COCc1c(cccc1F)N 34a_100011846719_200000210301 [1,1,0,0,0,0|1,1,0]=4 10321 B11R1.605 COCc1c(cccc1I)Br 34a_100138415774_100010146611 [1,1,0,0,0,0|1,1,0]=4 10322 B11R1.605 COCc1c(cccc1I)C 34a_100138415774_100010150146 [1,1,0,0,0,0|1,1,0]=4 10323 B11R1.605 COCc1c(cccc1I)F 34a_100010214973_200000210301 [1,1,0,0,0,0|1,1,0]=4 10324 B11R1.605 COCc1c(cccc1I)F 34a_100138415774_100010149602 [1,1,0,0,0,0|1,1,0]=4 10325 B11R1.605 COCc1c(cccc1I)F 7a_100010214973_200000210301 [1,1,0,0,0,0|1,1,0]=4 10326 B11R1.605 COCc1c(ccnc1Cl)Cl 34a_200009882739_200000210301 [1,1,0,0,0,0|2,0,0]=4 10327 B11R1.605 COCc1c(ccnc1Cl)Cl 7a_200009882739_200000210301 [1,1,0,0,0,0|2,0,0]=4 10328 B11R1.605 COCc1c(ccnc1Cl)I 7a_100000047008_200000210301 [1,1,0,0,0,0|2,0,0]=4 10329 B11R1.605 COCc1c(cncc1Cl)Cl 34a_100138415774_200009872113 [1,1,0,0,0,0|2,0,0]=4 10330 B11R1.605 CSCc1c(cccc1Br)C 62a_100010146847_200000210301 [1,1,0,0,0,0|1,1,0]=4 10331 B11R1.605 CSCc1c(cccc1Br)C 62a_200000210301_100010146847 [1,1,0,0,0,0|1,1,0]=4 10332 B11R1.605 CSCc1c(cccc1Br)Cl 62a_100010138402_200000210301 [1,1,0,0,0,0|1,0,0]=3 10333 B11R1.605 CSCc1c(cccc1Br)Cl 62a_200000210301_100010138402 [1,1,0,0,0,0|1,0,0]=3 10334 B11R1.605 CSCc1c(cccc1Br)F 62a_100012145669_200000210301 [1,1,0,0,0,0|1,1,0]=4 10335 B11R1.605 CSCc1c(cccc1Br)F 62a_200000210301_100012145669 [1,1,0,0,0,0|1,1,0]=4 10336 B11R1.605 CSCc1c(cccc1C)C 62a_100000758300_200000210301 [1,1,0,0,0,0|2,0,0]=4 10337 B11R1.605 CSCc1c(cccc1C)C 62a_200000210301_100000758300 [1,1,0,0,0,0|2,0,0]=4 10338 B11R1.605 CSCc1c(cccc1Cl)Cl 62a_100000187851_200000210301 [1,1,0,0,0,0|1,0,0]=3 10339 B11R1.605 CSCc1c(cccc1Cl)Cl 62a_200000210301_100000187851 [1,1,0,0,0,0|1,0,0]=3 10340 B11R1.605 CSCc1c(cccc1Cl)F 62a_100000187852_200000210301 [1,1,0,0,0,0|1,0,0]=3 10341 B11R1.605 CSCc1c(cccc1Cl)F 62a_200000210301_100000187852 [1,1,0,0,0,0|1,0,0]=3 10342 B11R1.605 CSCc1c(cccc1F)C 62a_100009814554_200000210301 [1,1,0,0,0,0|1,1,0]=4 10343 B11R1.605 CSCc1c(cccc1F)C 62a_200000210301_100009814554 [1,1,0,0,0,0|1,1,0]=4 10344 B11R1.605 CSCc1c(cccc1F)F 62a_100000709179_200000210301 [1,1,0,0,0,0|1,1,0]=4 10345 B11R1.605 CSCc1c(cccc1F)F 62a_200000210301_100000698325 [1,1,0,0,0,0|1,1,0]=4 10346 B11R1.605 CSCc1c(cccc1I)Br 62a_100010146611_200000210301 [1,1,0,0,0,0|1,1,0]=4 10347 B11R1.605 CSCc1c(cccc1I)Br 62a_200000210301_100010146611 [1,1,0,0,0,0|1,1,0]=4 10348 B11R1.605 CSCc1c(cccc1I)C 62a_100010150146_200000210301 [1,1,0,0,0,0|1,1,0]=4 10349 B11R1.605 CSCc1c(cccc1I)C 62a_200000210301_100010150146 [1,1,0,0,0,0|1,1,0]=4 10350 B11R1.605 CSCc1c(cccc1I)F 62a_100010149602_200000210301 [1,1,0,0,0,0|1,1,0]=4 10351 B11R1.605 CSCc1c(cccc1I)F 62a_200000210301_100010149602 [1,1,0,0,0,0|1,1,0]=4 10352 B11R1.605 CSCc1c(cncc1Cl)Cl 62a_200000210301_200009872113 [1,1,0,0,0,0|2,0,0]=4 10353 B11R1.605 CSCc1c(cncc1Cl)Cl 62a_200009872113_200000210301 [1,1,0,0,0,0|2,0,0]=4 10354 B11R1.605 Cc1cccc(c1CN[13CH3])C 34a_100000689800_200025704644 [1,1,0,0,0,0|1,0,0]=3 10355 B11R1.605 Cc1cccc(c1CN[13CH3])F 34a_100000762012_200025704644 [1,1,0,0,0,0|0,1,0]=3 10356 B11R1.605 Cc1cccc(c1CO[13CH3])C 34a_100011933981_200025704644 [1,1,0,0,0,0|2,0,0]=4 10357 B11R1.605 Cc1cccc(c1CO[13CH3])C 7a_100011933981_200025704644 [1,1,0,0,0,0|2,0,0]=4 10358 B11R1.605 Cc1cccc(c1CO[13CH3])Cl 34a_100000082531_200025704644 [1,1,0,0,0,0|1,0,0]=3 10359 B11R1.605 Cc1cccc(c1CO[13CH3])Cl 7a_100000082531_200025704644 [1,1,0,0,0,0|1,0,0]=3 10360 B11R1.605 Cc1cccc(c1CO[13CH3])F 34a_100000057874_200025704644 [1,1,0,0,0,0|1,1,0]=4 10361 B11R1.605 Cc1cccc(c1CO[13CH3])F 7a_100000057874_200025704644 [1,1,0,0,0,0|1,1,0]=4 10362 B11R1.605 Cc1cccc(c1CS[13CH3])Br 62a_100010146847_200025704644 [1,1,0,0,0,0|1,1,0]=4 10363 B11R1.605 Cc1cccc(c1CS[13CH3])Br 62a_200025704644_100010146847 [1,1,0,0,0,0|1,1,0]=4 10364 B11R1.605 Cc1cccc(c1CS[13CH3])C 62a_100000758300_200025704644 [1,1,0,0,0,0|2,0,0]=4 10365 B11R1.605 Cc1cccc(c1CS[13CH3])C 62a_200025704644_100000758300 [1,1,0,0,0,0|2,0,0]=4 10366 B11R1.605 Cc1cccc(c1CS[13CH3])F 62a_100009814554_200025704644 [1,1,0,0,0,0|1,1,0]=4 10367 B11R1.605 Cc1cccc(c1CS[13CH3])F 62a_200025704644_100009814554 [1,1,0,0,0,0|1,1,0]=4 10368 B11R1.605 Cc1cccc(c1CS[13CH3])I 62a_100010150146_200025704644 [1,1,0,0,0,0|1,1,0]=4 10369 B11R1.605 Cc1cccc(c1CS[13CH3])I 62a_200025704644_100010150146 [1,1,0,0,0,0|1,1,0]=4 10370 B11R1.605 Cc1cccc(c1NCF)Cl 34a_100000756524_100015361967 [1,1,0,0,0,0|2,0,0]=4 10371 B11R1.605 Cc1cccc(c1OCF)Cl 34a_100000033731_100015361967 [1,1,0,0,0,0|2,0,0]=4 10372 B11R1.605 Cc1cccc(c1OCF)Cl 7a_100000033731_100015361967 [1,1,0,0,0,0|2,0,0]=4 10373 B11R1.605 Cc1cccc(c1SCF)Cl 62a_100000043165_100015361967 [1,1,0,0,0,0|2,0,0]=4 10374 B11R1.605 Cc1cccc(c1SCF)Cl 62a_100015361967_100000043165 [1,1,0,0,0,0|2,0,0]=4 10375 B11R1.605 FCNc1c(cccc1Br)Cl 34a_100102946385_100015361967 [1,1,0,0,0,0|2,0,0]=4 10376 B11R1.605 FCNc1c(cccc1Cl)Cl 34a_100000210028_100015361967 [1,1,0,0,0,0|2,0,0]=4 10377 B11R1.605 FCNc1c(cccc1Cl)F 34a_100000760031_100015361967 [1,1,0,0,0,0|2,0,0]=4 10378 B11R1.605 FCOc1c(cccc1Br)Cl 34a_100010214474_100015361967 [1,1,0,0,0,0|2,0,0]=4 10379 B11R1.605 FCOc1c(cccc1Br)Cl 7a_100010214474_100015361967 [1,1,0,0,0,0|2,0,0]=4 10380 B11R1.605 FCOc1c(cccc1Cl)Cl 34a_100000211709_100015361967 [1,1,0,0,0,0|2,0,0]=4 10381 B11R1.605 FCOc1c(cccc1Cl)Cl 7a_100000211709_100015361967 [1,1,0,0,0,0|2,0,0]=4 10382 B11R1.605 FCOc1c(cccc1Cl)F 34a_100000694953_100015361967 [1,1,0,0,0,0|2,0,0]=4 10383 B11R1.605 FCOc1c(cccc1Cl)F 7a_100000694953_100015361967 [1,1,0,0,0,0|2,0,0]=4 10384 B11R1.605 FCOc1c(cccc1I)Cl 34a_100010202889_100015361967 [1,1,0,0,0,0|2,0,0]=4 10385 B11R1.605 FCOc1c(cccc1I)Cl 7a_100010202889_100015361967 [1,1,0,0,0,0|2,0,0]=4 10386 B11R1.605 FCSc1c(cccc1Br)Cl 62a_100010214488_100015361967 [1,1,0,0,0,0|2,0,0]=4 10387 B11R1.605 FCSc1c(cccc1Br)Cl 62a_100015361967_100010214488 [1,1,0,0,0,0|2,0,0]=4 10388 B11R1.605 FCSc1c(cccc1Cl)Cl 62a_100000034237_100015361967 [1,1,0,0,0,0|2,0,0]=4 10389 B11R1.605 FCSc1c(cccc1Cl)Cl 62a_100015361967_100000034237 [1,1,0,0,0,0|2,0,0]=4 10390 B11R1.605 FCSc1c(cccc1Cl)F 62a_100000050007_100015361967 [1,1,0,0,0,0|2,0,0]=4 10391 B11R1.605 FCSc1c(cccc1Cl)F 62a_100015361967_100000050007 [1,1,0,0,0,0|2,0,0]=4 10392 B11R1.605 Nc1cccc(c1OCF)Cl 34a_100000754742_100015361967 [1,1,0,0,0,0|2,0,0]=4 10393 B11R1.605 Nc1cccc(c1SCF)Cl 62a_100000049713_100015361967 [1,1,0,0,0,0|2,0,0]=4 10394 B11R1.605 Nc1cccc(c1SCF)Cl 62a_100015361967_100000049713 [1,1,0,0,0,0|2,0,0]=4 10395 B11R1.605 Oc1cccc(c1NCF)Cl 34a_100012022510_100015361967 [1,1,0,0,0,0|2,0,0]=4 10396 B11R1.605 Oc1cccc(c1SCF)Cl 62a_100015361967_100000050174 [1,1,0,0,0,0|2,0,0]=4 10397 B11R1.605 [13CH3]NCc1c(cccc1Br)F 34a_100012349121_200025704644 [1,1,0,0,0,0|0,1,0]=3 10398 B11R1.605 [13CH3]NCc1c(cccc1Cl)Cl 2230a_100000174884_200025704644 [1,1,0,0,0,0|0,0,0]=2 10399 B11R1.605 [13CH3]NCc1c(cccc1Cl)Cl 34a_100000174884_200025704644 [1,1,0,0,0,0|0,0,0]=2 10400 B11R1.605 [13CH3]NCc1c(cccc1Cl)F 34a_100000174883_200025704644 [1,1,0,0,0,0|0,0,0]=2 10401 B11R1.605 [13CH3]NCc1c(cccc1F)F 34a_100000688400_200025704644 [1,1,0,0,0,0|0,1,0]=3 10402 B11R1.605 [13CH3]OCc1c(cccc1Br)Br 34a_100010172814_200025704644 [1,1,0,0,0,0|1,1,0]=4 10403 B11R1.605 [13CH3]OCc1c(cccc1Br)Br 7a_100010172814_200025704644 [1,1,0,0,0,0|1,1,0]=4 10404 B11R1.605 [13CH3]OCc1c(cccc1Br)F 34a_100012355691_200025704644 [1,1,0,0,0,0|1,1,0]=4 10405 B11R1.605 [13CH3]OCc1c(cccc1Br)F 7a_100012355691_200025704644 [1,1,0,0,0,0|1,1,0]=4 10406 B11R1.605 [13CH3]OCc1c(cccc1Br)N 34a_100000747656_200025704644 [1,1,0,0,0,0|1,1,0]=4 10407 B11R1.605 [13CH3]OCc1c(cccc1Cl)Cl 34a_100000215722_200025704644 [1,1,0,0,0,0|1,0,0]=3 10408 B11R1.605 [13CH3]OCc1c(cccc1Cl)Cl 7a_100000215722_200025704644 [1,1,0,0,0,0|1,0,0]=3 10409 B11R1.605 [13CH3]OCc1c(cccc1Cl)F 34a_100000215723_200025704644 [1,1,0,0,0,0|1,0,0]=3 10410 B11R1.605 [13CH3]OCc1c(cccc1Cl)F 7a_100000215723_200025704644 [1,1,0,0,0,0|1,0,0]=3 10411 B11R1.605 [13CH3]OCc1c(cccc1Cl)N 34a_100011916388_200025704644 [1,1,0,0,0,0|1,0,0]=3 10412 B11R1.605 [13CH3]OCc1c(cccc1F)F 34a_100000698215_200025704644 [1,1,0,0,0,0|1,1,0]=4 10413 B11R1.605 [13CH3]OCc1c(cccc1F)F 7a_100000698215_200025704644 [1,1,0,0,0,0|1,1,0]=4 10414 B11R1.605 [13CH3]OCc1c(cccc1F)N 34a_100011846719_200025704644 [1,1,0,0,0,0|1,1,0]=4 10415 B11R1.605 [13CH3]OCc1c(cccc1I)F 34a_100010214973_200025704644 [1,1,0,0,0,0|1,1,0]=4 10416 B11R1.605 [13CH3]OCc1c(cccc1I)F 7a_100010214973_200025704644 [1,1,0,0,0,0|1,1,0]=4 10417 B11R1.605 [13CH3]OCc1c(ccnc1Cl)Cl 34a_200009882739_200025704644 [1,1,0,0,0,0|2,0,0]=4 10418 B11R1.605 [13CH3]OCc1c(ccnc1Cl)Cl 7a_200009882739_200025704644 [1,1,0,0,0,0|2,0,0]=4 10419 B11R1.605 [13CH3]OCc1c(ccnc1Cl)I 7a_100000047008_200025704644 [1,1,0,0,0,0|2,0,0]=4 10420 B11R1.605 [13CH3]SCc1c(cccc1Br)Cl 62a_100010138402_200025704644 [1,1,0,0,0,0|1,0,0]=3 10421 B11R1.605 [13CH3]SCc1c(cccc1Br)Cl 62a_200025704644_100010138402 [1,1,0,0,0,0|1,0,0]=3 10422 B11R1.605 [13CH3]SCc1c(cccc1Br)F 62a_100012145669_200025704644 [1,1,0,0,0,0|1,1,0]=4 10423 B11R1.605 [13CH3]SCc1c(cccc1Br)F 62a_200025704644_100012145669 [1,1,0,0,0,0|1,1,0]=4 10424 B11R1.605 [13CH3]SCc1c(cccc1Cl)Cl 62a_100000187851_200025704644 [1,1,0,0,0,0|1,0,0]=3 10425 B11R1.605 [13CH3]SCc1c(cccc1Cl)Cl 62a_200025704644_100000187851 [1,1,0,0,0,0|1,0,0]=3 10426 B11R1.605 [13CH3]SCc1c(cccc1Cl)F 62a_100000187852_200025704644 [1,1,0,0,0,0|1,0,0]=3 10427 B11R1.605 [13CH3]SCc1c(cccc1Cl)F 62a_200025704644_100000187852 [1,1,0,0,0,0|1,0,0]=3 10428 B11R1.605 [13CH3]SCc1c(cccc1F)F 62a_100000709179_200025704644 [1,1,0,0,0,0|1,1,0]=4 10429 B11R1.605 [13CH3]SCc1c(cccc1F)F 62a_200025704644_100000698325 [1,1,0,0,0,0|1,1,0]=4 10430 B11R1.605 [13CH3]SCc1c(cccc1I)Br 62a_100010146611_200025704644 [1,1,0,0,0,0|1,1,0]=4 10431 B11R1.605 [13CH3]SCc1c(cccc1I)Br 62a_200025704644_100010146611 [1,1,0,0,0,0|1,1,0]=4 10432 B11R1.605 [13CH3]SCc1c(cccc1I)F 62a_100010149602_200025704644 [1,1,0,0,0,0|1,1,0]=4 10433 B11R1.605 [13CH3]SCc1c(cccc1I)F 62a_200025704644_100010149602 [1,1,0,0,0,0|1,1,0]=4 10434 B11R1.605 [13CH3]SCc1c(cncc1Cl)Cl 62a_200009872113_200025704644 [1,1,0,0,0,0|2,0,0]=4 10435 B11R1.605 [13CH3]SCc1c(cncc1Cl)Cl 62a_200025704644_200009872113 [1,1,0,0,0,0|2,0,0]=4 10436 B11R1.1 CCCCc1cc[n+](cc1)[O-] 271570a_100020621405_100000039755 [1,1,0,0,0,0|2,0,0]=4 10437 B11R1.1 CCCCc1ccc(=O)[nH]c1 271570a_100020621405_100000212171 [1,1,0,0,0,0|2,0,0]=4 10438 B11R1.1 CCCCc1ccc(cc1)Br 271570a_100020621405_100000752885 [1,1,0,0,0,0|1,0,0]=3 10439 B11R1.1 CCCCc1ccc(cc1)C 271570a_100020621405_100000186775 [1,1,0,0,0,0|1,0,0]=3 10440 B11R1.1 CCCCc1ccc(cc1)Cl 271570a_100020621405_100000755918 [1,1,0,0,0,0|1,0,0]=3 10441 B11R1.1 CCCCc1ccc(cc1)F 271570a_100020621405_100000211213 [1,1,0,0,0,0|1,0,0]=3 10442 B11R1.1 CCCCc1ccc(cc1)N 271570a_100020621405_100000185761 [1,1,0,0,0,0|1,0,0]=3 10443 B11R1.1 CCCCc1ccc(cc1)O 271570a_100020621405_100000185759 [1,1,0,0,0,0|1,0,0]=3 10444 B11R1.1 CCCCc1ccc(cc1)O 271570a_203496583355_100011215597 [1,1,0,0,0,0|1,0,0]=3 10445 B11R1.1 CCCCc1ccc(cn1)Br 271570a_100020621405_100000686858 [1,1,0,0,0,0|2,0,0]=4 10446 B11R1.1 CCCCc1ccc(cn1)C 271570a_100020621405_100000754016 [1,1,0,0,0,0|2,0,0]=4 10447 B11R1.1 CCCCc1ccc(cn1)Cl 271570a_100020621405_100011356976 [1,1,0,0,0,0|2,0,0]=4 10448 B11R1.1 CCCCc1ccc(cn1)F 271570a_100020621405_100000744514 [1,1,0,0,0,0|2,0,0]=4 10449 B11R1.1 CCCCc1ccc(cn1)N 271570a_100020621405_100000744251 [1,1,0,0,0,0|2,0,0]=4 10450 B11R1.1 CCCCc1ccc(cn1)O 271570a_100020621405_100000685995 [1,1,0,0,0,0|2,0,0]=4 10451 B11R1.1 CCCCc1ccc(nc1)Br 271570a_100020621405_100009814638 [1,1,0,0,0,0|2,0,0]=4 10452 B11R1.1 CCCCc1ccc(nc1)C 271570a_100020621405_100000751577 [1,1,0,0,0,0|2,0,0]=4 10453 B11R1.1 CCCCc1ccc(nc1)Cl 271570a_100020621405_100000034144 [1,1,0,0,0,0|2,0,0]=4 10454 B11R1.1 CCCCc1ccc(nc1)F 271570a_100020621405_100000748661 [1,1,0,0,0,0|2,0,0]=4 10455 B11R1.1 CCCCc1ccc(nc1)N 271570a_100020621405_100000187370 [1,1,0,0,0,0|2,0,0]=4 10456 B11R1.1 CCCNc1ccc(cc1)Br 2230a_100000210018_100000210303 [1,1,0,0,0,0|2,0,0]=4 10457 B11R1.1 CCCNc1ccc(cc1)Br 34a_100000210018_100000210303 [1,1,0,0,0,0|2,0,0]=4 10458 B11R1.1 CCCNc1ccc(cc1)C 34a_100000124888_100000210303 [1,1,0,0,0,0|2,0,0]=4 10459 B11R1.1 CCCNc1ccc(cc1)Cl 2230a_100000210052_100000210303 [1,1,0,0,0,0|2,0,0]=4 10460 B11R1.1 CCCNc1ccc(cc1)Cl 34a_100000210052_100000210303 [1,1,0,0,0,0|2,0,0]=4 10461 B11R1.1 CCCNc1ccc(cc1)F 34a_100000185862_100000210303 [1,1,0,0,0,0|2,0,0]=4 10462 B11R1.1 CCCNc1ccc(cc1)I 34a_100000185761_100000210303 [1,1,0,0,0,0|2,0,0]=4 10463 B11R1.1 CCCNc1ccc(cc1)O 34a_100000185829_100000210303 [1,1,0,0,0,0|2,0,0]=4 10464 B11R1.1 CCCOc1ccc(cc1)Br 34a_100000185759_100000210303 [1,1,0,0,0,0|2,0,0]=4 10465 B11R1.1 CCCOc1ccc(cc1)Br 7a_100000185759_100000210303 [1,1,0,0,0,0|2,0,0]=4 10466 B11R1.1 CCCOc1ccc(cc1)C 34a_100000210336_100000210303 [1,1,0,0,0,0|2,0,0]=4 10467 B11R1.1 CCCOc1ccc(cc1)C 7a_100000210336_100000210303 [1,1,0,0,0,0|2,0,0]=4 10468 B11R1.1 CCCOc1ccc(cc1)Cl 34a_100000210216_100000210303 [1,1,0,0,0,0|2,0,0]=4 10469 B11R1.1 CCCOc1ccc(cc1)Cl 7a_100000210216_100000210303 [1,1,0,0,0,0|2,0,0]=4 10470 B11R1.1 CCCOc1ccc(cc1)F 34a_100000210339_100000210303 [1,1,0,0,0,0|2,0,0]=4 10471 B11R1.1 CCCOc1ccc(cc1)I 34a_100000212066_100000210303 [1,1,0,0,0,0|2,0,0]=4 10472 B11R1.1 CCCOc1ccc(cc1)I 7a_100000212066_100000210303 [1,1,0,0,0,0|2,0,0]=4 10473 B11R1.1 CCCOc1ccc(cc1)N 34a_100000185829_100000210303 [1,1,0,0,0,0|2,0,0]=4 10474 B11R1.1 CCCOc1ccc(cc1)O 271570a_203496583355_100000169948 [1,1,0,0,0,0|2,0,0]=4 10475 B11R1.1 CCCSc1ccc(cc1)Br 62a_100000210303_100000752885 [1,1,0,0,0,0|2,0,0]=4 10476 B11R1.1 CCCSc1ccc(cc1)Br 62a_100000752885_100000210303 [1,1,0,0,0,0|2,0,0]=4 10477 B11R1.1 CCCSc1ccc(cc1)C 62a_100000186775_100000210303 [1,1,0,0,0,0|2,0,0]=4 10478 B11R1.1 CCCSc1ccc(cc1)C 62a_100000210303_100000186775 [1,1,0,0,0,0|2,0,0]=4 10479 B11R1.1 CCCSc1ccc(cc1)Cl 62a_100000210303_100000755918 [1,1,0,0,0,0|2,0,0]=4 10480 B11R1.1 CCCSc1ccc(cc1)Cl 62a_100000755918_100000210303 [1,1,0,0,0,0|2,0,0]=4 10481 B11R1.1 CCCSc1ccc(cc1)F 62a_100000210303_100000211213 [1,1,0,0,0,0|2,0,0]=4 10482 B11R1.1 CCCSc1ccc(cc1)F 62a_100000211213_100000210303 [1,1,0,0,0,0|2,0,0]=4 10483 B11R1.1 CCCSc1ccc(cc1)N 62a_100000185761_100000210303 [1,1,0,0,0,0|2,0,0]=4 10484 B11R1.1 CCCSc1ccc(cc1)N 62a_100000210303_100000185761 [1,1,0,0,0,0|2,0,0]=4 10485 B11R1.1 CCCSc1ccc(cc1)O 271570a_203496583355_200009811899 [1,1,0,0,0,0|2,0,0]=4 10486 B11R1.1 CCCSc1ccc(cc1)O 62a_100000210303_100000185759 [1,1,0,0,0,0|2,0,0]=4 10487 B11R1.1 CCNCc1ccc(cc1)Br 207a_100015525214_100000186029 [1,1,0,0,0,0|2,0,0]=4 10488 B11R1.1 CCNCc1ccc(cc1)Br 2230a_100000174875_100000210202 [1,1,0,0,0,0|2,0,0]=4 10489 B11R1.1 CCNCc1ccc(cc1)Br 2230a_100015525214_100011217064 [1,1,0,0,0,0|2,0,0]=4 10490 B11R1.1 CCNCc1ccc(cc1)Br 270004a_100015525214_100000186029 [1,1,0,0,0,0|2,0,0]=4 10491 B11R1.1 CCNCc1ccc(cc1)Br 34a_100000174875_100000210202 [1,1,0,0,0,0|2,0,0]=4 10492 B11R1.1 CCNCc1ccc(cc1)C 207a_100015525214_100000211033 [1,1,0,0,0,0|2,0,0]=4 10493 B11R1.1 CCNCc1ccc(cc1)C 2230a_100000174908_100000210202 [1,1,0,0,0,0|2,0,0]=4 10494 B11R1.1 CCNCc1ccc(cc1)C 2230a_100015525214_100000210814 [1,1,0,0,0,0|2,0,0]=4 10495 B11R1.1 CCNCc1ccc(cc1)C 270004a_100015525214_100000211033 [1,1,0,0,0,0|2,0,0]=4 10496 B11R1.1 CCNCc1ccc(cc1)C 34a_100000174908_100000210202 [1,1,0,0,0,0|2,0,0]=4 10497 B11R1.1 CCNCc1ccc(cc1)Cl 207a_100015525214_100000189385 [1,1,0,0,0,0|2,0,0]=4 10498 B11R1.1 CCNCc1ccc(cc1)Cl 2230a_100000174871_100000210202 [1,1,0,0,0,0|2,0,0]=4 10499 B11R1.1 CCNCc1ccc(cc1)Cl 2230a_100015525214_100000694040 [1,1,0,0,0,0|2,0,0]=4 10500 B11R1.1 CCNCc1ccc(cc1)Cl 270004a_100015525214_100000189385 [1,1,0,0,0,0|2,0,0]=4 10501 B11R1.1 CCNCc1ccc(cc1)Cl 34a_100000174871_100000210202 [1,1,0,0,0,0|2,0,0]=4 10502 B11R1.1 CCNCc1ccc(cc1)F 207a_100015525214_100000210084 [1,1,0,0,0,0|2,0,0]=4 10503 B11R1.1 CCNCc1ccc(cc1)F 2230a_100000174882_100000210202 [1,1,0,0,0,0|2,0,0]=4 10504 B11R1.1 CCNCc1ccc(cc1)F 2230a_100015525214_100000198546 [1,1,0,0,0,0|2,0,0]=4 10505 B11R1.1 CCNCc1ccc(cc1)F 270004a_100015525214_100000210084 [1,1,0,0,0,0|2,0,0]=4 10506 B11R1.1 CCNCc1ccc(cc1)F 34a_100000174882_100000210202 [1,1,0,0,0,0|2,0,0]=4 10507 B11R1.1 CCNCc1ccc(cc1)I 207a_100015525214_100000188517 [1,1,0,0,0,0|2,0,0]=4 10508 B11R1.1 CCNCc1ccc(cc1)I 2230a_100015525214_100000189116 [1,1,0,0,0,0|2,0,0]=4 10509 B11R1.1 CCNCc1ccc(cc1)I 2230a_100016989417_100000210202 [1,1,0,0,0,0|2,0,0]=4 10510 B11R1.1 CCNCc1ccc(cc1)I 34a_100016989417_100000210202 [1,1,0,0,0,0|2,0,0]=4 10511 B11R1.1 CCNCc1ccc(cc1)O 271570a_203496583355_100000187385 [1,1,0,0,0,0|2,0,0]=4 10512 B11R1.1 CCNCc1ccc(cc1)O 34a_100000185549_100000210202 [1,1,0,0,0,0|2,0,0]=4 10513 B11R1.1 CCOCc1ccc(cc1)Br 34a_100000695286_100000210202 [1,1,0,0,0,0|2,0,0]=4 10514 B11R1.1 CCOCc1ccc(cc1)Br 34a_100121572206_100000189115 [1,1,0,0,0,0|2,0,0]=4 10515 B11R1.1 CCOCc1ccc(cc1)C 34a_100011215236_100000210202 [1,1,0,0,0,0|2,0,0]=4 10516 B11R1.1 CCOCc1ccc(cc1)C 34a_100121572206_100000210814 [1,1,0,0,0,0|2,0,0]=4 10517 B11R1.1 CCOCc1ccc(cc1)C 7a_100011215236_100000210202 [1,1,0,0,0,0|2,0,0]=4 10518 B11R1.1 CCOCc1ccc(cc1)Cl 34a_100000211118_100000210202 [1,1,0,0,0,0|2,0,0]=4 10519 B11R1.1 CCOCc1ccc(cc1)Cl 34a_100121572206_100000694040 [1,1,0,0,0,0|2,0,0]=4 10520 B11R1.1 CCOCc1ccc(cc1)Cl 7a_100000211118_100000210202 [1,1,0,0,0,0|2,0,0]=4 10521 B11R1.1 CCOCc1ccc(cc1)F 34a_100000210977_100000210202 [1,1,0,0,0,0|2,0,0]=4 10522 B11R1.1 CCOCc1ccc(cc1)F 34a_100121572206_100000198546 [1,1,0,0,0,0|2,0,0]=4 10523 B11R1.1 CCOCc1ccc(cc1)F 7a_100000210977_100000210202 [1,1,0,0,0,0|2,0,0]=4 10524 B11R1.1 CCOCc1ccc(cc1)I 34a_100000690907_100000210202 [1,1,0,0,0,0|2,0,0]=4 10525 B11R1.1 CCOCc1ccc(cc1)I 34a_100121572206_100000189116 [1,1,0,0,0,0|2,0,0]=4 10526 B11R1.1 CCOCc1ccc(cc1)I 7a_100000690907_100000210202 [1,1,0,0,0,0|2,0,0]=4 10527 B11R1.1 CCOCc1ccc(cc1)N 34a_100011215238_100000210202 [1,1,0,0,0,0|2,0,0]=4 10528 B11R1.1 CCOCc1ccc(cc1)O 271570a_203496583355_100000758564 [1,1,0,0,0,0|2,0,0]=4 10529 B11R1.1 CCSCc1ccc(cc1)Br 62a_100000189115_100000210202 [1,1,0,0,0,0|2,0,0]=4 10530 B11R1.1 CCSCc1ccc(cc1)Br 62a_100000210202_100000189115 [1,1,0,0,0,0|2,0,0]=4 10531 B11R1.1 CCSCc1ccc(cc1)C 62a_100000210202_100000210814 [1,1,0,0,0,0|2,0,0]=4 10532 B11R1.1 CCSCc1ccc(cc1)C 62a_100000210814_100000210202 [1,1,0,0,0,0|2,0,0]=4 10533 B11R1.1 CCSCc1ccc(cc1)Cl 62a_100000187161_100000210202 [1,1,0,0,0,0|2,0,0]=4 10534 B11R1.1 CCSCc1ccc(cc1)Cl 62a_100000210202_100000187161 [1,1,0,0,0,0|2,0,0]=4 10535 B11R1.1 CCSCc1ccc(cc1)F 62a_100000198546_100000210202 [1,1,0,0,0,0|2,0,0]=4 10536 B11R1.1 CCSCc1ccc(cc1)F 62a_100000210202_100000187164 [1,1,0,0,0,0|2,0,0]=4 10537 B11R1.1 CCSCc1ccc(cc1)I 62a_100000189116_100000210202 [1,1,0,0,0,0|2,0,0]=4 10538 B11R1.1 CCSCc1ccc(cc1)I 62a_100000210202_100000189116 [1,1,0,0,0,0|2,0,0]=4 10539 B11R1.1 CNCCc1ccc(cc1)Br 2230a_100000755846_200000210301 [1,1,0,0,0,0|0,0,0]=2 10540 B11R1.1 CNCCc1ccc(cc1)Br 2230a_106832991635_100011740612 [1,1,0,0,0,0|0,0,0]=2 10541 B11R1.1 CNCCc1ccc(cc1)Br 34a_100000755846_200000210301 [1,1,0,0,0,0|0,0,0]=2 10542 B11R1.1 CNCCc1ccc(cc1)Br 34a_100102657272_100011740612 [1,1,0,0,0,0|0,0,0]=2 10543 B11R1.1 CNCCc1ccc(cc1)Br 7a_106832991635_100011740612 [1,1,0,0,0,0|0,0,0]=2 10544 B11R1.1 CNCCc1ccc(cc1)C 2230a_100000705350_200000210301 [1,1,0,0,0,0|0,0,0]=2 10545 B11R1.1 CNCCc1ccc(cc1)C 2230a_106832991635_100011713686 [1,1,0,0,0,0|0,0,0]=2 10546 B11R1.1 CNCCc1ccc(cc1)C 34a_100000705350_200000210301 [1,1,0,0,0,0|0,0,0]=2 10547 B11R1.1 CNCCc1ccc(cc1)C 34a_100102657272_100011713686 [1,1,0,0,0,0|0,0,0]=2 10548 B11R1.1 CNCCc1ccc(cc1)C 7a_106832991635_100011713686 [1,1,0,0,0,0|0,0,0]=2 10549 B11R1.1 CNCCc1ccc(cc1)Cl 2230a_100000185265_200000210301 [1,1,0,0,0,0|0,0,0]=2 10550 B11R1.1 CNCCc1ccc(cc1)Cl 2230a_106832991635_100011713675 [1,1,0,0,0,0|0,0,0]=2 10551 B11R1.1 CNCCc1ccc(cc1)Cl 34a_100000185265_200000210301 [1,1,0,0,0,0|0,0,0]=2 10552 B11R1.1 CNCCc1ccc(cc1)Cl 34a_100102657272_100011713675 [1,1,0,0,0,0|0,0,0]=2 10553 B11R1.1 CNCCc1ccc(cc1)Cl 7a_106832991635_100011713675 [1,1,0,0,0,0|0,0,0]=2 10554 B11R1.1 CNCCc1ccc(cc1)F 2230a_100000199005_200000210301 [1,1,0,0,0,0|0,0,0]=2 10555 B11R1.1 CNCCc1ccc(cc1)F 2230a_106832991635_100011217392 [1,1,0,0,0,0|0,0,0]=2 10556 B11R1.1 CNCCc1ccc(cc1)F 34a_100000199005_200000210301 [1,1,0,0,0,0|0,0,0]=2 10557 B11R1.1 CNCCc1ccc(cc1)F 34a_100102657272_100011217392 [1,1,0,0,0,0|0,0,0]=2 10558 B11R1.1 CNCCc1ccc(cc1)F 7a_106832991635_100011217392 [1,1,0,0,0,0|0,0,0]=2 10559 B11R1.1 CNCCc1ccc(cc1)O 2230a_106832991635_100009816426 [1,1,0,0,0,0|0,0,0]=2 10560 B11R1.1 CNCCc1ccc(cc1)O 271570a_203496583355_100000752880 [1,1,0,0,0,0|0,0,0]=2 10561 B11R1.1 CNCCc1ccc(cc1)O 34a_100000743037_200000210301 [1,1,0,0,0,0|0,0,0]=2 10562 B11R1.1 CNCCc1ccc(cc1)O 7a_106832991635_100009816426 [1,1,0,0,0,0|0,0,0]=2 10563 B11R1.1 COCCc1ccc(cc1)Br 34a_100000766406_200000210301 [1,1,0,0,0,0|1,0,0]=3 10564 B11R1.1 COCCc1ccc(cc1)Br 34a_100138415774_100011740612 [1,1,0,0,0,0|1,0,0]=3 10565 B11R1.1 COCCc1ccc(cc1)Br 7a_100000766406_200000210301 [1,1,0,0,0,0|1,0,0]=3 10566 B11R1.1 COCCc1ccc(cc1)C 34a_100000756670_200000210301 [1,1,0,0,0,0|1,0,0]=3 10567 B11R1.1 COCCc1ccc(cc1)C 34a_100138415774_100011713686 [1,1,0,0,0,0|1,0,0]=3 10568 B11R1.1 COCCc1ccc(cc1)C 7a_100000756670_200000210301 [1,1,0,0,0,0|1,0,0]=3 10569 B11R1.1 COCCc1ccc(cc1)Cl 34a_100011219627_200000210301 [1,1,0,0,0,0|1,0,0]=3 10570 B11R1.1 COCCc1ccc(cc1)Cl 34a_100138415774_100011713675 [1,1,0,0,0,0|1,0,0]=3 10571 B11R1.1 COCCc1ccc(cc1)Cl 7a_100011219627_200000210301 [1,1,0,0,0,0|1,0,0]=3 10572 B11R1.1 COCCc1ccc(cc1)F 34a_100000754732_200000210301 [1,1,0,0,0,0|1,0,0]=3 10573 B11R1.1 COCCc1ccc(cc1)F 34a_100138415774_100011217392 [1,1,0,0,0,0|1,0,0]=3 10574 B11R1.1 COCCc1ccc(cc1)F 7a_100000754732_200000210301 [1,1,0,0,0,0|1,0,0]=3 10575 B11R1.1 COCCc1ccc(cc1)I 34a_100012291149_200000210301 [1,1,0,0,0,0|1,0,0]=3 10576 B11R1.1 COCCc1ccc(cc1)I 7a_100012291149_200000210301 [1,1,0,0,0,0|1,0,0]=3 10577 B11R1.1 COCCc1ccc(cc1)N 34a_100011204434_200000210301 [1,1,0,0,0,0|1,0,0]=3 10578 B11R1.1 COCCc1ccc(cc1)O 271570a_203496583355_100000739703 [1,1,0,0,0,0|1,0,0]=3 10579 B11R1.1 COCCc1ccc(cn1)Br 34a_100012357577_200000210301 [1,1,0,0,0,0|2,0,0]=4 10580 B11R1.1 COCCc1ccc(nc1)C 34a_100011815783_200000210301 [1,1,0,0,0,0|2,0,0]=4 10581 B11R1.1 COCCc1ccc(nc1)Cl 34a_100009880866_200000210301 [1,1,0,0,0,0|2,0,0]=4 10582 B11R1.1 COCCc1ccc(nc1)Cl 7a_100009880866_200000210301 [1,1,0,0,0,0|2,0,0]=4 10583 B11R1.1 COCNc1ccc(cc1)Br 2230a_100000210018_100000766300 [1,1,0,0,0,0|2,0,0]=4 10584 B11R1.1 COCNc1ccc(cc1)Cl 2230a_100000210052_100000766300 [1,1,0,0,0,0|2,0,0]=4 10585 B11R1.1 COCOc1ccc(cc1)O 271570a_203496583355_100012265687 [1,1,0,0,0,0|2,0,0]=4 10586 B11R1.1 COCSc1ccc(cc1)Br 62a_100000752885_100000766300 [1,1,0,0,0,0|2,0,0]=4 10587 B11R1.1 COCSc1ccc(cc1)Br 62a_100000766300_100000752885 [1,1,0,0,0,0|2,0,0]=4 10588 B11R1.1 COCSc1ccc(cc1)C 62a_100000186775_100000766300 [1,1,0,0,0,0|2,0,0]=4 10589 B11R1.1 COCSc1ccc(cc1)C 62a_100000766300_100000186775 [1,1,0,0,0,0|2,0,0]=4 10590 B11R1.1 COCSc1ccc(cc1)Cl 62a_100000755918_100000766300 [1,1,0,0,0,0|2,0,0]=4 10591 B11R1.1 COCSc1ccc(cc1)Cl 62a_100000766300_100000755918 [1,1,0,0,0,0|2,0,0]=4 10592 B11R1.1 COCSc1ccc(cc1)F 62a_100000211213_100000766300 [1,1,0,0,0,0|2,0,0]=4 10593 B11R1.1 COCSc1ccc(cc1)F 62a_100000766300_100000211213 [1,1,0,0,0,0|2,0,0]=4 10594 B11R1.1 COCSc1ccc(cc1)N 62a_100000185761_100000766300 [1,1,0,0,0,0|2,0,0]=4 10595 B11R1.1 COCSc1ccc(cc1)N 62a_100000766300_100000185761 [1,1,0,0,0,0|2,0,0]=4 10596 B11R1.1 COCSc1ccc(cc1)O 62a_100000766300_100000185759 [1,1,0,0,0,0|2,0,0]=4 10597 B11R1.1 CSCCc1ccc(cc1)Br 62a_100011740612_200000210301 [1,1,0,0,0,0|1,0,0]=3 10598 B11R1.1 CSCCc1ccc(cc1)Br 62a_200000210301_100011740612 [1,1,0,0,0,0|1,0,0]=3 10599 B11R1.1 CSCCc1ccc(cc1)C 62a_100011713686_200000210301 [1,1,0,0,0,0|1,0,0]=3 10600 B11R1.1 CSCCc1ccc(cc1)C 62a_200000210301_100011713686 [1,1,0,0,0,0|1,0,0]=3 10601 B11R1.1 CSCCc1ccc(cc1)Cl 62a_100011713675_200000210301 [1,1,0,0,0,0|1,0,0]=3 10602 B11R1.1 CSCCc1ccc(cc1)Cl 62a_200000210301_100011713675 [1,1,0,0,0,0|1,0,0]=3 10603 B11R1.1 CSCCc1ccc(cc1)F 62a_100011217392_200000210301 [1,1,0,0,0,0|1,0,0]=3 10604 B11R1.1 CSCCc1ccc(cc1)F 62a_200000210301_100011217392 [1,1,0,0,0,0|1,0,0]=3 10605 B11R1.1 CSCCc1ccc(cc1)O 62a_100009816426_200000210301 [1,1,0,0,0,0|1,0,0]=3 10606 B11R1.1 CSCCc1ccc(cc1)O 62a_200000210301_100009816426 [1,1,0,0,0,0|1,0,0]=3 10607 B11R1.1 CSCNc1ccc(cc1)Br 2230a_100000210018_100011218213 [1,1,0,0,0,0|2,0,0]=4 10608 B11R1.1 CSCNc1ccc(cc1)Br 34a_100000210018_100011218213 [1,1,0,0,0,0|2,0,0]=4 10609 B11R1.1 CSCNc1ccc(cc1)C 34a_100000124888_100011218213 [1,1,0,0,0,0|2,0,0]=4 10610 B11R1.1 CSCNc1ccc(cc1)Cl 2230a_100000210052_100011218213 [1,1,0,0,0,0|2,0,0]=4 10611 B11R1.1 CSCNc1ccc(cc1)Cl 34a_100000210052_100011218213 [1,1,0,0,0,0|2,0,0]=4 10612 B11R1.1 CSCNc1ccc(cc1)F 34a_100000185862_100011218213 [1,1,0,0,0,0|2,0,0]=4 10613 B11R1.1 CSCNc1ccc(cc1)I 34a_100000185761_100011218213 [1,1,0,0,0,0|2,0,0]=4 10614 B11R1.1 CSCNc1ccc(cc1)O 34a_100000185829_100011218213 [1,1,0,0,0,0|2,0,0]=4 10615 B11R1.1 CSCOc1ccc(cc1)Br 34a_100000185759_100011218213 [1,1,0,0,0,0|2,0,0]=4 10616 B11R1.1 CSCOc1ccc(cc1)C 34a_100000210336_100011218213 [1,1,0,0,0,0|2,0,0]=4 10617 B11R1.1 CSCOc1ccc(cc1)Cl 34a_100000210216_100011218213 [1,1,0,0,0,0|2,0,0]=4 10618 B11R1.1 CSCOc1ccc(cc1)F 34a_100000210339_100011218213 [1,1,0,0,0,0|2,0,0]=4 10619 B11R1.1 CSCOc1ccc(cc1)I 34a_100000212066_100011218213 [1,1,0,0,0,0|2,0,0]=4 10620 B11R1.1 CSCOc1ccc(cc1)N 34a_100000185829_100011218213 [1,1,0,0,0,0|2,0,0]=4 10621 B11R1.1 CSCSc1ccc(cc1)Br 62a_100000752885_100011218213 [1,1,0,0,0,0|2,0,0]=4 10622 B11R1.1 CSCSc1ccc(cc1)Br 62a_100011218213_100000752885 [1,1,0,0,0,0|2,0,0]=4 10623 B11R1.1 CSCSc1ccc(cc1)C 62a_100000186775_100011218213 [1,1,0,0,0,0|2,0,0]=4 10624 B11R1.1 CSCSc1ccc(cc1)C 62a_100011218213_100000186775 [1,1,0,0,0,0|2,0,0]=4 10625 B11R1.1 CSCSc1ccc(cc1)Cl 62a_100000755918_100011218213 [1,1,0,0,0,0|2,0,0]=4 10626 B11R1.1 CSCSc1ccc(cc1)Cl 62a_100011218213_100000755918 [1,1,0,0,0,0|2,0,0]=4 10627 B11R1.1 CSCSc1ccc(cc1)F 62a_100000211213_100011218213 [1,1,0,0,0,0|2,0,0]=4 10628 B11R1.1 CSCSc1ccc(cc1)F 62a_100011218213_100000211213 [1,1,0,0,0,0|2,0,0]=4 10629 B11R1.1 CSCSc1ccc(cc1)N 62a_100000185761_100011218213 [1,1,0,0,0,0|2,0,0]=4 10630 B11R1.1 CSCSc1ccc(cc1)N 62a_100011218213_100000185761 [1,1,0,0,0,0|2,0,0]=4 10631 B11R1.1 CSCSc1ccc(cc1)O 62a_100011218213_100000185759 [1,1,0,0,0,0|2,0,0]=4 10632 B11R1.1 Cc1ccc(cc1)CCN[13CH3] 2230a_100000705350_200025704644 [1,1,0,0,0,0|0,0,0]=2 10633 B11R1.1 Cc1ccc(cc1)CCN[13CH3] 34a_100000705350_200025704644 [1,1,0,0,0,0|0,0,0]=2 10634 B11R1.1 Cc1ccc(cc1)CCO[13CH3] 34a_100000756670_200025704644 [1,1,0,0,0,0|1,0,0]=3 10635 B11R1.1 Cc1ccc(cc1)CCO[13CH3] 7a_100000756670_200025704644 [1,1,0,0,0,0|1,0,0]=3 10636 B11R1.1 Cc1ccc(cc1)CCS[13CH3] 62a_100011713686_200025704644 [1,1,0,0,0,0|1,0,0]=3 10637 B11R1.1 Cc1ccc(cc1)CCS[13CH3] 62a_200025704644_100011713686 [1,1,0,0,0,0|1,0,0]=3 10638 B11R1.1 Cc1ccc(cn1)CCO[13CH3] 34a_100011815783_200025704644 [1,1,0,0,0,0|2,0,0]=4 10639 B11R1.1 N#CCCc1ccc(cc1)O 271570a_203496583355_100011216407 [1,1,0,0,0,0|2,0,0]=4 10640 B11R1.1 NCCCc1ccc(cc1)O 271570a_203496583355_100011297623 [1,1,0,0,0,0|2,0,0]=4 10641 B11R1.1 O=CCCc1ccc(cc1)O 271570a_203496583355_100011361538 [1,1,0,0,0,0|2,0,0]=4 10642 B11R1.1 OCCCc1ccc(cc1)O 271570a_203496583355_100011709247 [1,1,0,0,0,0|2,0,0]=4 10643 B11R1.1 [13CH3]NCCc1ccc(cc1)Br 2230a_100000755846_200025704644 [1,1,0,0,0,0|0,0,0]=2 10644 B11R1.1 [13CH3]NCCc1ccc(cc1)Br 34a_100000755846_200025704644 [1,1,0,0,0,0|0,0,0]=2 10645 B11R1.1 [13CH3]NCCc1ccc(cc1)Cl 2230a_100000185265_200025704644 [1,1,0,0,0,0|0,0,0]=2 10646 B11R1.1 [13CH3]NCCc1ccc(cc1)Cl 34a_100000185265_200025704644 [1,1,0,0,0,0|0,0,0]=2 10647 B11R1.1 [13CH3]NCCc1ccc(cc1)F 2230a_100000199005_200025704644 [1,1,0,0,0,0|0,0,0]=2 10648 B11R1.1 [13CH3]NCCc1ccc(cc1)F 34a_100000199005_200025704644 [1,1,0,0,0,0|0,0,0]=2 10649 B11R1.1 [13CH3]NCCc1ccc(cc1)O 34a_100000743037_200025704644 [1,1,0,0,0,0|0,0,0]=2 10650 B11R1.1 [13CH3]OCCc1ccc(cc1)Br 34a_100000766406_200025704644 [1,1,0,0,0,0|1,0,0]=3 10651 B11R1.1 [13CH3]OCCc1ccc(cc1)Br 7a_100000766406_200025704644 [1,1,0,0,0,0|1,0,0]=3 10652 B11R1.1 [13CH3]OCCc1ccc(cc1)Cl 34a_100011219627_200025704644 [1,1,0,0,0,0|1,0,0]=3 10653 B11R1.1 [13CH3]OCCc1ccc(cc1)Cl 7a_100011219627_200025704644 [1,1,0,0,0,0|1,0,0]=3 10654 B11R1.1 [13CH3]OCCc1ccc(cc1)F 34a_100000754732_200025704644 [1,1,0,0,0,0|1,0,0]=3 10655 B11R1.1 [13CH3]OCCc1ccc(cc1)F 7a_100000754732_200025704644 [1,1,0,0,0,0|1,0,0]=3 10656 B11R1.1 [13CH3]OCCc1ccc(cc1)I 34a_100012291149_200025704644 [1,1,0,0,0,0|1,0,0]=3 10657 B11R1.1 [13CH3]OCCc1ccc(cc1)I 7a_100012291149_200025704644 [1,1,0,0,0,0|1,0,0]=3 10658 B11R1.1 [13CH3]OCCc1ccc(cc1)N 34a_100011204434_200025704644 [1,1,0,0,0,0|1,0,0]=3 10659 B11R1.1 [13CH3]OCCc1ccc(cn1)Br 34a_100012357577_200025704644 [1,1,0,0,0,0|2,0,0]=4 10660 B11R1.1 [13CH3]OCCc1ccc(nc1)Cl 34a_100009880866_200025704644 [1,1,0,0,0,0|2,0,0]=4 10661 B11R1.1 [13CH3]OCCc1ccc(nc1)Cl 7a_100009880866_200025704644 [1,1,0,0,0,0|2,0,0]=4 10662 B11R1.1 [13CH3]SCCc1ccc(cc1)Br 62a_100011740612_200025704644 [1,1,0,0,0,0|1,0,0]=3 10663 B11R1.1 [13CH3]SCCc1ccc(cc1)Br 62a_200025704644_100011740612 [1,1,0,0,0,0|1,0,0]=3 10664 B11R1.1 [13CH3]SCCc1ccc(cc1)Cl 62a_100011713675_200025704644 [1,1,0,0,0,0|1,0,0]=3 10665 B11R1.1 [13CH3]SCCc1ccc(cc1)Cl 62a_200025704644_100011713675 [1,1,0,0,0,0|1,0,0]=3 10666 B11R1.1 [13CH3]SCCc1ccc(cc1)F 62a_100011217392_200025704644 [1,1,0,0,0,0|1,0,0]=3 10667 B11R1.1 [13CH3]SCCc1ccc(cc1)F 62a_200025704644_100011217392 [1,1,0,0,0,0|1,0,0]=3 10668 B11R1.1 [13CH3]SCCc1ccc(cc1)O 62a_100009816426_200025704644 [1,1,0,0,0,0|1,0,0]=3 10669 B11R1.1 [13CH3]SCCc1ccc(cc1)O 62a_200025704644_100009816426 [1,1,0,0,0,0|1,0,0]=3 10670 B11R1.16 CC(CN[13CH3])c1ccccc1 2230a_100000701038_200025704644 [1,1,0,0,0,0|0,0,0]=2 10671 B11R1.16 CC(CN[13CH3])c1ccccc1 34a_100000701038_200025704644 [1,1,0,0,0,0|0,0,0]=2 10672 B11R1.16 CC(CO[13CH3])c1ccccc1 34a_100011215166_200025704644 [1,1,0,0,0,0|1,0,0]=3 10673 B11R1.16 CC(CO[13CH3])c1ccccc1 7a_100011215166_200025704644 [1,1,0,0,0,0|1,0,0]=3 10674 B11R1.16 CC(CS[13CH3])c1ccccc1 62a_100000756946_200025704644 [1,1,0,0,0,0|1,0,0]=3 10675 B11R1.16 CC(CS[13CH3])c1ccccc1 62a_200025704644_100000756946 [1,1,0,0,0,0|1,0,0]=3 10676 B11R1.16 CCCC(=O)c1ccccc1 1458a_100000185807_100000210303 [1,1,0,0,0,0|1,0,1]=4 10677 B11R1.16 CCCN(C)c1ccccc1 2230a_100000210012_100000210303 [1,1,0,0,0,0|2,0,0]=4 10678 B11R1.16 CCCN(C)c1ccccc1 2230a_200011218496_200000210301 [1,1,0,0,0,0|2,0,0]=4 10679 B11R1.16 CCCN(C)c1ccccc1 269982a_100000210012_100000210303 [1,1,0,0,0,0|2,0,0]=4 10680 B11R1.16 CCCN(C)c1ccccc1 269982a_200011218496_200000210301 [1,1,0,0,0,0|2,0,0]=4 10681 B11R1.16 CCCN(C)c1ccccc1 34a_100000210012_100000210303 [1,1,0,0,0,0|2,0,0]=4 10682 B11R1.16 CCCN(C)c1ccccc1 34a_200011218496_200000210301 [1,1,0,0,0,0|2,0,0]=4 10683 B11R1.16 CCCN([13CH3])c1ccccc1 2230a_200011218496_200025704644 [1,1,0,0,0,0|2,0,0]=4 10684 B11R1.16 CCCN([13CH3])c1ccccc1 269982a_200011218496_200025704644 [1,1,0,0,0,0|2,0,0]=4 10685 B11R1.16 CCCN([13CH3])c1ccccc1 34a_200011218496_200025704644 [1,1,0,0,0,0|2,0,0]=4 10686 B11R1.16 CCNC(C)c1ccccc1 2230a_100015525214_100000230085 [1,1,0,0,0,0|2,0,0]=4 10687 B11R1.16 CCNC(C)c1ccccc1 269862a_100015525214_100000185851 [1,1,0,0,0,0|2,0,0]=4 10688 B11R1.16 CCN[C@H](C)c1ccccc1 2230a_100000751104_100000210202 [1,1,0,0,0,0|2,0,0]=4 10689 B11R1.16 CCOC(C)c1ccccc1 34a_100121572206_100000211855 [1,1,0,0,0,0|2,0,0]=4 10690 B11R1.16 CCO[C@H](C)c1ccccc1 34a_100000761318_100000210202 [1,1,0,0,0,0|2,0,0]=4 10691 B11R1.16 CCO[C@H](C)c1ccccc1 7a_100000761318_100000210202 [1,1,0,0,0,0|2,0,0]=4 10692 B11R1.16 CCSC(C)c1ccccc1 62a_100000210202_100000230085 [1,1,0,0,0,0|2,0,0]=4 10693 B11R1.16 CCSC(C)c1ccccc1 62a_100000230085_100000210202 [1,1,0,0,0,0|2,0,0]=4 10694 B11R1.16 CNCC(=O)c1ccccc1 7a_106832991635_100000211460 [1,1,0,0,0,0|0,0,1]=3 10695 B11R1.16 CNCC(=O)c1ccccn1 34a_100102657272_100000027445 [1,1,0,0,0,0|1,0,1]=4 10696 B11R1.16 CNCC(=O)c1ccccn1 7a_106832991635_100000027445 [1,1,0,0,0,0|1,0,1]=4 10697 B11R1.16 CNCC(=O)c1ccncc1 7a_106832991635_100015248511 [1,1,0,0,0,0|1,0,1]=4 10698 B11R1.16 CNCC(C)c1ccccc1 2230a_100000701038_200000210301 [1,1,0,0,0,0|0,0,0]=2 10699 B11R1.16 CNCC(C)c1ccccc1 2230a_106832991635_100000756946 [1,1,0,0,0,0|0,0,0]=2 10700 B11R1.16 CNCC(C)c1ccccc1 270004a_106832991635_100000212034 [1,1,0,0,0,0|0,0,0]=2 10701 B11R1.16 CNCC(C)c1ccccc1 34a_100000701038_200000210301 [1,1,0,0,0,0|0,0,0]=2 10702 B11R1.16 CNCC(C)c1ccccc1 34a_100102657272_100000756946 [1,1,0,0,0,0|0,0,0]=2 10703 B11R1.16 CNCC(C)c1ccccc1 7a_106832991635_100000756946 [1,1,0,0,0,0|0,0,0]=2 10704 B11R1.16 CNCC(O)c1ccccc1 2230a_100000210709_200000210301 [1,1,0,0,0,0|0,0,0]=2 10705 B11R1.16 CNCC(O)c1ccccc1 2230a_106832991635_100000185958 [1,1,0,0,0,0|0,0,0]=2 10706 B11R1.16 CNCC(O)c1ccccc1 34a_100102657272_100000185958 [1,1,0,0,0,0|0,0,0]=2 10707 B11R1.16 CNCC(O)c1ccccc1 7a_106832991635_100000185958 [1,1,0,0,0,0|0,0,0]=2 10708 B11R1.16 CNCC(O)c1ccccn1 2230a_100000691469_200000210301 [1,1,0,0,0,0|1,0,0]=3 10709 B11R1.16 CNCC(O)c1cccnc1 2230a_100020605170_200000210301 [1,1,0,0,0,0|1,0,0]=3 10710 B11R1.16 CNC[C@@H](O)c1ccccc1 2230a_106832991635_100011933945 [1,1,0,0,0,0|0,0,0]=2 10711 B11R1.16 CNC[C@@H](O)c1ccccc1 34a_100102657272_100011933945 [1,1,0,0,0,0|0,0,0]=2 10712 B11R1.16 CNC[C@@H](O)c1ccccc1 7a_106832991635_100011933945 [1,1,0,0,0,0|0,0,0]=2 10713 B11R1.16 CNNC(=O)c1ccccc1 22a_100016993582_100000185807 [1,1,0,0,0,0|1,0,1]=4 10714 B11R1.16 COCC(C)c1ccccc1 34a_100011215166_200000210301 [1,1,0,0,0,0|1,0,0]=3 10715 B11R1.16 COCC(C)c1ccccc1 34a_100138415774_100000756946 [1,1,0,0,0,0|1,0,0]=3 10716 B11R1.16 COCC(C)c1ccccc1 7a_100011215166_200000210301 [1,1,0,0,0,0|1,0,0]=3 10717 B11R1.16 COCC(O)c1ccccc1 34a_100138415774_100000185958 [1,1,0,0,0,0|1,0,0]=3 10718 B11R1.16 COCN(C)c1ccccc1 2230a_100000210012_100000766300 [1,1,0,0,0,0|2,0,0]=4 10719 B11R1.16 COCN(C)c1ccccc1 269982a_100000210012_100000766300 [1,1,0,0,0,0|2,0,0]=4 10720 B11R1.16 COC[C@@H](N)c1ccccc1 34a_100000751927_200000210301 [1,1,0,0,0,0|1,0,0]=3 10721 B11R1.16 COC[C@@H](N)c1ccncc1 34a_100138412524_200000210301 [1,1,0,0,0,0|2,0,0]=4 10722 B11R1.16 COC[C@@H](O)c1ccccc1 34a_100138415774_100011933945 [1,1,0,0,0,0|1,0,0]=3 10723 B11R1.16 CSCC(=O)c1ccccc1 62a_100000211460_200000210301 [1,1,0,0,0,0|1,0,1]=4 10724 B11R1.16 CSCC(=O)c1ccccc1 62a_200000210301_100000211460 [1,1,0,0,0,0|1,0,1]=4 10725 B11R1.16 CSCC(C)c1ccccc1 62a_100000756946_200000210301 [1,1,0,0,0,0|1,0,0]=3 10726 B11R1.16 CSCC(C)c1ccccc1 62a_200000210301_100000756946 [1,1,0,0,0,0|1,0,0]=3 10727 B11R1.16 CSCC(O)c1ccccc1 62a_100000185958_200000210301 [1,1,0,0,0,0|1,0,0]=3 10728 B11R1.16 CSCC(O)c1ccccc1 62a_200000210301_100000185958 [1,1,0,0,0,0|1,0,0]=3 10729 B11R1.16 CSCN(C)c1ccccc1 2230a_100000210012_100011218213 [1,1,0,0,0,0|2,0,0]=4 10730 B11R1.16 CSCN(C)c1ccccc1 269982a_100000210012_100011218213 [1,1,0,0,0,0|2,0,0]=4 10731 B11R1.16 CSCN(C)c1ccccc1 34a_100000210012_100011218213 [1,1,0,0,0,0|2,0,0]=4 10732 B11R1.16 CSCS(=O)c1ccccc1 62a_200000210301_100000031784 [1,1,0,0,0,0|2,0,0]=4 10733 B11R1.16 CSC[C@@H](O)c1ccccc1 62a_100011933945_200000210301 [1,1,0,0,0,0|1,0,0]=3 10734 B11R1.16 CSC[C@@H](O)c1ccccc1 62a_200000210301_100011933945 [1,1,0,0,0,0|1,0,0]=3 10735 B11R1.16 [13CH3]NCC(O)c1ccccc1 2230a_100000210709_200025704644 [1,1,0,0,0,0|0,0,0]=2 10736 B11R1.16 [13CH3]NCC(O)c1ccccn1 2230a_100000691469_200025704644 [1,1,0,0,0,0|1,0,0]=3 10737 B11R1.16 [13CH3]NCC(O)c1cccnc1 2230a_100020605170_200025704644 [1,1,0,0,0,0|1,0,0]=3 10738 B11R1.16 [13CH3]OC[C@@H](N)c1ccccc1 34a_100000751927_200025704644 [1,1,0,0,0,0|1,0,0]=3 10739 B11R1.16 [13CH3]OC[C@@H](N)c1ccncc1 34a_100138412524_200025704644 [1,1,0,0,0,0|2,0,0]=4 10740 B11R1.16 [13CH3]SCC(=O)c1ccccc1 62a_100000211460_200025704644 [1,1,0,0,0,0|1,0,1]=4 10741 B11R1.16 [13CH3]SCC(=O)c1ccccc1 62a_200025704644_100000211460 [1,1,0,0,0,0|1,0,1]=4 10742 B11R1.16 [13CH3]SCC(O)c1ccccc1 62a_100000185958_200025704644 [1,1,0,0,0,0|1,0,0]=3 10743 B11R1.16 [13CH3]SCC(O)c1ccccc1 62a_200025704644_100000185958 [1,1,0,0,0,0|1,0,0]=3 10744 B11R1.16 [13CH3]SCS(=O)c1ccccc1 62a_200025704644_100000031784 [1,1,0,0,0,0|2,0,0]=4 10745 B11R1.16 [13CH3]SC[C@@H](O)c1ccccc1 62a_100011933945_200025704644 [1,1,0,0,0,0|1,0,0]=3 10746 B11R1.16 [13CH3]SC[C@@H](O)c1ccccc1 62a_200025704644_100011933945 [1,1,0,0,0,0|1,0,0]=3 10747 B11R1.24 CCCCc1cc(ccn1)C 271570a_100020621405_100000750283 [1,1,0,0,0,0|2,0,0]=4 10748 B11R1.24 CCCCc1cc(ccn1)Cl 271570a_100020621405_100010167805 [1,1,0,0,0,0|2,0,0]=4 10749 B11R1.24 CCCCc1cc(ccn1)F 271570a_100020621405_100009817058 [1,1,0,0,0,0|2,0,0]=4 10750 B11R1.24 CCCCc1cc(ccn1)N 271570a_100020621405_100009814236 [1,1,0,0,0,0|2,0,0]=4 10751 B11R1.24 CCCCc1cc(ccn1)O 271570a_100020621405_100000762945 [1,1,0,0,0,0|2,0,0]=4 10752 B11R1.24 CCCCc1cc[nH]c(=O)c1 271570a_100020621405_100009816521 [1,1,0,0,0,0|2,0,0]=4 10753 B11R1.24 CCCCc1ccc[n+](c1)C 271570a_100020621405_100009996589 [1,1,0,0,0,0|2,0,0]=4 10754 B11R1.24 CCCCc1ccc[n+](c1)[O-] 271570a_100020621405_100009815978 [1,1,0,0,0,0|2,0,0]=4 10755 B11R1.24 CCCCc1cccc(=O)[nH]1 271570a_100020621405_100000761760 [1,1,0,0,0,0|2,0,0]=4 10756 B11R1.24 CCCCc1cccc(c1)Br 271570a_100020621405_100000691529 [1,1,0,0,0,0|1,0,0]=3 10757 B11R1.24 CCCCc1cccc(c1)C 271570a_100020621405_100011215228 [1,1,0,0,0,0|1,0,0]=3 10758 B11R1.24 CCCCc1cccc(c1)Cl 271570a_100020621405_100000699651 [1,1,0,0,0,0|1,0,0]=3 10759 B11R1.24 CCCCc1cccc(c1)F 271570a_100020621405_100000685547 [1,1,0,0,0,0|1,0,0]=3 10760 B11R1.24 CCCCc1cccc(c1)N 271570a_100020621405_100000210019 [1,1,0,0,0,0|1,0,0]=3 10761 B11R1.24 CCCCc1cccc(c1)O 271570a_100020621405_100000211634 [1,1,0,0,0,0|1,0,0]=3 10762 B11R1.24 CCCCc1cccc(c1)O 271570a_203496583355_200010244551 [1,1,0,0,0,0|1,0,0]=3 10763 B11R1.24 CCCCc1cccc(c1)[S] 271570a_100020621405_114929384022 [1,1,0,0,0,0|1,0,0]=3 10764 B11R1.24 CCCCc1cccc(n1)Br 271570a_100020621405_100000684672 [1,1,0,0,0,0|2,0,0]=4 10765 B11R1.24 CCCCc1cccc(n1)C 271570a_100020621405_100000742759 [1,1,0,0,0,0|2,0,0]=4 10766 B11R1.24 CCCCc1cccc(n1)F 271570a_100020621405_100009815982 [1,1,0,0,0,0|2,0,0]=4 10767 B11R1.24 CCCCc1cccc(n1)N 271570a_100020621405_100000740741 [1,1,0,0,0,0|2,0,0]=4 10768 B11R1.24 CCCCc1ccnc(c1)Br 271570a_100020621405_100009814637 [1,1,0,0,0,0|2,0,0]=4 10769 B11R1.24 CCCCc1ccnc(c1)C 271570a_100020621405_100000758586 [1,1,0,0,0,0|2,0,0]=4 10770 B11R1.24 CCCCc1ccnc(c1)Cl 271570a_100020621405_100000035001 [1,1,0,0,0,0|2,0,0]=4 10771 B11R1.24 CCCCc1ccnc(c1)F 271570a_100020621405_100009816116 [1,1,0,0,0,0|2,0,0]=4 10772 B11R1.24 CCCCc1ccnc(c1)N 271570a_100020621405_100000744379 [1,1,0,0,0,0|2,0,0]=4 10773 B11R1.24 CCCCc1cncc(c1)Br 271570a_100020621405_100000728054 [1,1,0,0,0,0|2,0,0]=4 10774 B11R1.24 CCCCc1cncc(c1)C 271570a_100020621405_100000760492 [1,1,0,0,0,0|2,0,0]=4 10775 B11R1.24 CCCCc1cncc(c1)Cl 271570a_100020621405_100000049639 [1,1,0,0,0,0|2,0,0]=4 10776 B11R1.24 CCCCc1cncc(c1)F 271570a_100020621405_100000744099 [1,1,0,0,0,0|2,0,0]=4 10777 B11R1.24 CCCCc1cncc(c1)N 271570a_100020621405_100000687067 [1,1,0,0,0,0|2,0,0]=4 10778 B11R1.24 CCCCc1cncc(c1)O 271570a_100020621405_100000754920 [1,1,0,0,0,0|2,0,0]=4 10779 B11R1.24 CCCNc1cccc(c1)Br 34a_100000210019_100000210303 [1,1,0,0,0,0|2,0,0]=4 10780 B11R1.24 CCCNc1cccc(c1)C 2230a_100000188690_100000210303 [1,1,0,0,0,0|2,0,0]=4 10781 B11R1.24 CCCNc1cccc(c1)C 34a_100000188690_100000210303 [1,1,0,0,0,0|2,0,0]=4 10782 B11R1.24 CCCNc1cccc(c1)Cl 34a_100000185859_100000210303 [1,1,0,0,0,0|2,0,0]=4 10783 B11R1.24 CCCNc1cccc(c1)F 34a_100000210047_100000210303 [1,1,0,0,0,0|2,0,0]=4 10784 B11R1.24 CCCNc1cccc(c1)I 34a_100000211102_100000210303 [1,1,0,0,0,0|2,0,0]=4 10785 B11R1.24 CCCNc1cccc(c1)O 34a_100000210217_100000210303 [1,1,0,0,0,0|2,0,0]=4 10786 B11R1.24 CCCOc1cccc(c1)Br 34a_100000210342_100000210303 [1,1,0,0,0,0|2,0,0]=4 10787 B11R1.24 CCCOc1cccc(c1)Br 7a_100000210342_100000210303 [1,1,0,0,0,0|2,0,0]=4 10788 B11R1.24 CCCOc1cccc(c1)C 34a_100000210337_100000210303 [1,1,0,0,0,0|2,0,0]=4 10789 B11R1.24 CCCOc1cccc(c1)C 7a_100000210337_100000210303 [1,1,0,0,0,0|2,0,0]=4 10790 B11R1.24 CCCOc1cccc(c1)Cl 34a_100000210295_100000210303 [1,1,0,0,0,0|2,0,0]=4 10791 B11R1.24 CCCOc1cccc(c1)Cl 7a_100000210295_100000210303 [1,1,0,0,0,0|2,0,0]=4 10792 B11R1.24 CCCOc1cccc(c1)F 34a_100000210426_100000210303 [1,1,0,0,0,0|2,0,0]=4 10793 B11R1.24 CCCOc1cccc(c1)F 7a_100000210426_100000210303 [1,1,0,0,0,0|2,0,0]=4 10794 B11R1.24 CCCOc1cccc(c1)I 34a_100000211634_100000210303 [1,1,0,0,0,0|2,0,0]=4 10795 B11R1.24 CCCOc1cccc(c1)I 7a_100000211634_100000210303 [1,1,0,0,0,0|2,0,0]=4 10796 B11R1.24 CCCOc1cccc(c1)N 34a_100000210217_100000210303 [1,1,0,0,0,0|2,0,0]=4 10797 B11R1.24 CCCOc1cccc(c1)O 271570a_203496583355_100000170004 [1,1,0,0,0,0|2,0,0]=4 10798 B11R1.24 CCCSc1cccc(c1)Br 62a_100000210303_100000691529 [1,1,0,0,0,0|2,0,0]=4 10799 B11R1.24 CCCSc1cccc(c1)Br 62a_100000691529_100000210303 [1,1,0,0,0,0|2,0,0]=4 10800 B11R1.24 CCCSc1cccc(c1)C 62a_100000210303_100011215228 [1,1,0,0,0,0|2,0,0]=4 10801 B11R1.24 CCCSc1cccc(c1)C 62a_100011215228_100000210303 [1,1,0,0,0,0|2,0,0]=4 10802 B11R1.24 CCCSc1cccc(c1)Cl 62a_100000210303_100000699651 [1,1,0,0,0,0|2,0,0]=4 10803 B11R1.24 CCCSc1cccc(c1)Cl 62a_100000699651_100000210303 [1,1,0,0,0,0|2,0,0]=4 10804 B11R1.24 CCCSc1cccc(c1)F 62a_100000210303_100000685547 [1,1,0,0,0,0|2,0,0]=4 10805 B11R1.24 CCCSc1cccc(c1)F 62a_100000685547_100000210303 [1,1,0,0,0,0|2,0,0]=4 10806 B11R1.24 CCCSc1cccc(c1)N 62a_100000210019_100000210303 [1,1,0,0,0,0|2,0,0]=4 10807 B11R1.24 CCCSc1cccc(c1)N 62a_100000210303_100000210019 [1,1,0,0,0,0|2,0,0]=4 10808 B11R1.24 CCCSc1cccc(c1)O 271570a_203496583355_200009815762 [1,1,0,0,0,0|2,0,0]=4 10809 B11R1.24 CCCSc1cccc(c1)O 62a_100000210303_100000211634 [1,1,0,0,0,0|2,0,0]=4 10810 B11R1.24 CCCSc1cccc(c1)[S] 62a_100000210303_114929384022 [1,1,0,0,0,0|2,0,0]=4 10811 B11R1.24 CCCSc1cccc(c1)[S] 62a_114929384022_100000210303 [1,1,0,0,0,0|2,0,0]=4 10812 B11R1.24 CCNCc1cccc(c1)Br 207a_100015525214_100000210085 [1,1,0,0,0,0|2,0,0]=4 10813 B11R1.24 CCNCc1cccc(c1)Br 2230a_100000174977_100000210202 [1,1,0,0,0,0|2,0,0]=4 10814 B11R1.24 CCNCc1cccc(c1)Br 2230a_100015525214_100000698116 [1,1,0,0,0,0|2,0,0]=4 10815 B11R1.24 CCNCc1cccc(c1)Br 270004a_100015525214_100000210085 [1,1,0,0,0,0|2,0,0]=4 10816 B11R1.24 CCNCc1cccc(c1)Br 34a_100000174977_100000210202 [1,1,0,0,0,0|2,0,0]=4 10817 B11R1.24 CCNCc1cccc(c1)C 207a_100015525214_100000211157 [1,1,0,0,0,0|2,0,0]=4 10818 B11R1.24 CCNCc1cccc(c1)C 2230a_100000185548_100000210202 [1,1,0,0,0,0|2,0,0]=4 10819 B11R1.24 CCNCc1cccc(c1)C 2230a_100015525214_100000211840 [1,1,0,0,0,0|2,0,0]=4 10820 B11R1.24 CCNCc1cccc(c1)C 270004a_100015525214_100000211157 [1,1,0,0,0,0|2,0,0]=4 10821 B11R1.24 CCNCc1cccc(c1)C 34a_100000185548_100000210202 [1,1,0,0,0,0|2,0,0]=4 10822 B11R1.24 CCNCc1cccc(c1)Cl 207a_100015525214_100000210801 [1,1,0,0,0,0|2,0,0]=4 10823 B11R1.24 CCNCc1cccc(c1)Cl 2230a_100000174878_100000210202 [1,1,0,0,0,0|2,0,0]=4 10824 B11R1.24 CCNCc1cccc(c1)Cl 2230a_100015525214_100000181238 [1,1,0,0,0,0|2,0,0]=4 10825 B11R1.24 CCNCc1cccc(c1)Cl 270004a_100015525214_100000210801 [1,1,0,0,0,0|2,0,0]=4 10826 B11R1.24 CCNCc1cccc(c1)Cl 34a_100000174878_100000210202 [1,1,0,0,0,0|2,0,0]=4 10827 B11R1.24 CCNCc1cccc(c1)F 207a_100015525214_100000210812 [1,1,0,0,0,0|2,0,0]=4 10828 B11R1.24 CCNCc1cccc(c1)F 2230a_100000174948_100000210202 [1,1,0,0,0,0|2,0,0]=4 10829 B11R1.24 CCNCc1cccc(c1)F 2230a_100015525214_100000230114 [1,1,0,0,0,0|2,0,0]=4 10830 B11R1.24 CCNCc1cccc(c1)F 270004a_100015525214_100000210812 [1,1,0,0,0,0|2,0,0]=4 10831 B11R1.24 CCNCc1cccc(c1)F 34a_100000174948_100000210202 [1,1,0,0,0,0|2,0,0]=4 10832 B11R1.24 CCNCc1cccc(c1)I 207a_100015525214_100000014684 [1,1,0,0,0,0|2,0,0]=4 10833 B11R1.24 CCNCc1cccc(c1)I 2230a_100000106179_100000210202 [1,1,0,0,0,0|2,0,0]=4 10834 B11R1.24 CCNCc1cccc(c1)I 2230a_100015525214_100011218688 [1,1,0,0,0,0|2,0,0]=4 10835 B11R1.24 CCNCc1cccc(c1)I 270004a_100015525214_100000014684 [1,1,0,0,0,0|2,0,0]=4 10836 B11R1.24 CCNCc1cccc(c1)I 34a_100000106179_100000210202 [1,1,0,0,0,0|2,0,0]=4 10837 B11R1.24 CCNCc1cccc(c1)O 207a_100015525214_100000188321 [1,1,0,0,0,0|2,0,0]=4 10838 B11R1.24 CCNCc1cccc(c1)O 2230a_100000743036_100000210202 [1,1,0,0,0,0|2,0,0]=4 10839 B11R1.24 CCNCc1cccc(c1)O 2230a_100015525214_100011660834 [1,1,0,0,0,0|2,0,0]=4 10840 B11R1.24 CCNCc1cccc(c1)O 270004a_100015525214_100000188321 [1,1,0,0,0,0|2,0,0]=4 10841 B11R1.24 CCNCc1cccc(c1)O 271570a_203496583355_100000187426 [1,1,0,0,0,0|2,0,0]=4 10842 B11R1.24 CCNCc1cccc(c1)O 34a_100000743036_100000210202 [1,1,0,0,0,0|2,0,0]=4 10843 B11R1.24 CCOCc1cccc(c1)Br 34a_100000687537_100000210202 [1,1,0,0,0,0|2,0,0]=4 10844 B11R1.24 CCOCc1cccc(c1)Br 34a_100121572206_100000698116 [1,1,0,0,0,0|2,0,0]=4 10845 B11R1.24 CCOCc1cccc(c1)Br 7a_100000687537_100000210202 [1,1,0,0,0,0|2,0,0]=4 10846 B11R1.24 CCOCc1cccc(c1)C 34a_100011217746_100000210202 [1,1,0,0,0,0|2,0,0]=4 10847 B11R1.24 CCOCc1cccc(c1)C 34a_100121572206_100000211840 [1,1,0,0,0,0|2,0,0]=4 10848 B11R1.24 CCOCc1cccc(c1)C 7a_100011217746_100000210202 [1,1,0,0,0,0|2,0,0]=4 10849 B11R1.24 CCOCc1cccc(c1)Cl 34a_100000241301_100000210202 [1,1,0,0,0,0|2,0,0]=4 10850 B11R1.24 CCOCc1cccc(c1)Cl 34a_100121572206_100000187163 [1,1,0,0,0,0|2,0,0]=4 10851 B11R1.24 CCOCc1cccc(c1)Cl 7a_100000241301_100000210202 [1,1,0,0,0,0|2,0,0]=4 10852 B11R1.24 CCOCc1cccc(c1)F 34a_100000210976_100000210202 [1,1,0,0,0,0|2,0,0]=4 10853 B11R1.24 CCOCc1cccc(c1)F 34a_100121572206_100000187166 [1,1,0,0,0,0|2,0,0]=4 10854 B11R1.24 CCOCc1cccc(c1)F 7a_100000210976_100000210202 [1,1,0,0,0,0|2,0,0]=4 10855 B11R1.24 CCOCc1cccc(c1)I 34a_100011215336_100000210202 [1,1,0,0,0,0|2,0,0]=4 10856 B11R1.24 CCOCc1cccc(c1)I 34a_100121572206_100011218688 [1,1,0,0,0,0|2,0,0]=4 10857 B11R1.24 CCOCc1cccc(c1)I 7a_100011215336_100000210202 [1,1,0,0,0,0|2,0,0]=4 10858 B11R1.24 CCOCc1cccc(c1)N 34a_100000211919_100000210202 [1,1,0,0,0,0|2,0,0]=4 10859 B11R1.24 CCOCc1cccc(c1)O 271570a_203496583355_100011493694 [1,1,0,0,0,0|2,0,0]=4 10860 B11R1.24 CCOCc1cccc(c1)O 34a_100121572206_100011660834 [1,1,0,0,0,0|2,0,0]=4 10861 B11R1.24 CCSCc1cccc(c1)Br 62a_100000210202_100000211773 [1,1,0,0,0,0|2,0,0]=4 10862 B11R1.24 CCSCc1cccc(c1)Br 62a_100000211773_100000210202 [1,1,0,0,0,0|2,0,0]=4 10863 B11R1.24 CCSCc1cccc(c1)C 62a_100000210202_100000211840 [1,1,0,0,0,0|2,0,0]=4 10864 B11R1.24 CCSCc1cccc(c1)C 62a_100000211840_100000210202 [1,1,0,0,0,0|2,0,0]=4 10865 B11R1.24 CCSCc1cccc(c1)Cl 62a_100000187163_100000210202 [1,1,0,0,0,0|2,0,0]=4 10866 B11R1.24 CCSCc1cccc(c1)Cl 62a_100000210202_100000187163 [1,1,0,0,0,0|2,0,0]=4 10867 B11R1.24 CCSCc1cccc(c1)F 62a_100000210202_100000230114 [1,1,0,0,0,0|2,0,0]=4 10868 B11R1.24 CCSCc1cccc(c1)F 62a_100000230114_100000210202 [1,1,0,0,0,0|2,0,0]=4 10869 B11R1.24 CCSCc1cccc(c1)I 62a_100000210202_100011218688 [1,1,0,0,0,0|2,0,0]=4 10870 B11R1.24 CCSCc1cccc(c1)I 62a_100011218688_100000210202 [1,1,0,0,0,0|2,0,0]=4 10871 B11R1.24 CCSCc1cccc(c1)O 62a_100000210202_100011660834 [1,1,0,0,0,0|2,0,0]=4 10872 B11R1.24 CCSCc1cccc(c1)O 62a_100011660834_100000210202 [1,1,0,0,0,0|2,0,0]=4 10873 B11R1.24 CNCCc1cccc(c1)Br 2230a_100011207229_200000210301 [1,1,0,0,0,0|0,0,0]=2 10874 B11R1.24 CNCCc1cccc(c1)Br 2230a_106832991635_100011740638 [1,1,0,0,0,0|0,0,0]=2 10875 B11R1.24 CNCCc1cccc(c1)Br 34a_100011207229_200000210301 [1,1,0,0,0,0|0,0,0]=2 10876 B11R1.24 CNCCc1cccc(c1)Br 34a_100102657272_100011740638 [1,1,0,0,0,0|0,0,0]=2 10877 B11R1.24 CNCCc1cccc(c1)Br 7a_106832991635_100011740638 [1,1,0,0,0,0|0,0,0]=2 10878 B11R1.24 CNCCc1cccc(c1)C 2230a_100000749837_200000210301 [1,1,0,0,0,0|0,0,0]=2 10879 B11R1.24 CNCCc1cccc(c1)C 2230a_106832991635_100011713685 [1,1,0,0,0,0|0,0,0]=2 10880 B11R1.24 CNCCc1cccc(c1)C 34a_100000749837_200000210301 [1,1,0,0,0,0|0,0,0]=2 10881 B11R1.24 CNCCc1cccc(c1)C 34a_100102657272_100011713685 [1,1,0,0,0,0|0,0,0]=2 10882 B11R1.24 CNCCc1cccc(c1)C 7a_106832991635_100011713685 [1,1,0,0,0,0|0,0,0]=2 10883 B11R1.24 CNCCc1cccc(c1)Cl 2230a_100000185263_200000210301 [1,1,0,0,0,0|0,0,0]=2 10884 B11R1.24 CNCCc1cccc(c1)Cl 2230a_106832991635_100011713710 [1,1,0,0,0,0|0,0,0]=2 10885 B11R1.24 CNCCc1cccc(c1)Cl 34a_100000185263_200000210301 [1,1,0,0,0,0|0,0,0]=2 10886 B11R1.24 CNCCc1cccc(c1)Cl 34a_100102657272_100011713710 [1,1,0,0,0,0|0,0,0]=2 10887 B11R1.24 CNCCc1cccc(c1)Cl 7a_106832991635_100011713710 [1,1,0,0,0,0|0,0,0]=2 10888 B11R1.24 CNCCc1cccc(c1)F 2230a_100000205154_200000210301 [1,1,0,0,0,0|0,0,0]=2 10889 B11R1.24 CNCCc1cccc(c1)F 2230a_106832991635_100011217235 [1,1,0,0,0,0|0,0,0]=2 10890 B11R1.24 CNCCc1cccc(c1)F 34a_100000205154_200000210301 [1,1,0,0,0,0|0,0,0]=2 10891 B11R1.24 CNCCc1cccc(c1)F 34a_100102657272_100011217235 [1,1,0,0,0,0|0,0,0]=2 10892 B11R1.24 CNCCc1cccc(c1)F 7a_106832991635_100011217235 [1,1,0,0,0,0|0,0,0]=2 10893 B11R1.24 CNCCc1cccc(c1)O 2230a_100000747277_200000210301 [1,1,0,0,0,0|0,0,0]=2 10894 B11R1.24 CNCCc1cccc(c1)O 34a_100000747277_200000210301 [1,1,0,0,0,0|0,0,0]=2 10895 B11R1.24 CNCCc1cccc(n1)C 2230a_100011824523_200000210301 [1,1,0,0,0,0|1,0,0]=3 10896 B11R1.24 CNCCc1cccc(n1)C 34a_100011824523_200000210301 [1,1,0,0,0,0|1,0,0]=3 10897 B11R1.24 COCCc1cccc(c1)Br 34a_100011217444_200000210301 [1,1,0,0,0,0|1,0,0]=3 10898 B11R1.24 COCCc1cccc(c1)Br 34a_100138415774_100011740638 [1,1,0,0,0,0|1,0,0]=3 10899 B11R1.24 COCCc1cccc(c1)Br 7a_100011217444_200000210301 [1,1,0,0,0,0|1,0,0]=3 10900 B11R1.24 COCCc1cccc(c1)C 34a_100011217157_200000210301 [1,1,0,0,0,0|1,0,0]=3 10901 B11R1.24 COCCc1cccc(c1)C 34a_100138415774_100011713685 [1,1,0,0,0,0|1,0,0]=3 10902 B11R1.24 COCCc1cccc(c1)C 7a_100011217157_200000210301 [1,1,0,0,0,0|1,0,0]=3 10903 B11R1.24 COCCc1cccc(c1)Cl 34a_100000754733_200000210301 [1,1,0,0,0,0|1,0,0]=3 10904 B11R1.24 COCCc1cccc(c1)Cl 34a_100138415774_100011713710 [1,1,0,0,0,0|1,0,0]=3 10905 B11R1.24 COCCc1cccc(c1)Cl 7a_100000754733_200000210301 [1,1,0,0,0,0|1,0,0]=3 10906 B11R1.24 COCCc1cccc(c1)F 34a_100000763591_200000210301 [1,1,0,0,0,0|1,0,0]=3 10907 B11R1.24 COCCc1cccc(c1)F 34a_100138415774_100011217235 [1,1,0,0,0,0|1,0,0]=3 10908 B11R1.24 COCCc1cccc(c1)F 7a_100000763591_200000210301 [1,1,0,0,0,0|1,0,0]=3 10909 B11R1.24 COCCc1cccc(c1)N 34a_100011996697_200000210301 [1,1,0,0,0,0|1,0,0]=3 10910 B11R1.24 COCCc1cccc(n1)Br 34a_100010221043_200000210301 [1,1,0,0,0,0|2,0,0]=4 10911 B11R1.24 COCCc1cccc(n1)Br 7a_100010221043_200000210301 [1,1,0,0,0,0|2,0,0]=4 10912 B11R1.24 COCNc1cccc(c1)C 2230a_100000188690_100000766300 [1,1,0,0,0,0|2,0,0]=4 10913 B11R1.24 COCOc1cccc(c1)O 271570a_203496583355_100012265688 [1,1,0,0,0,0|2,0,0]=4 10914 B11R1.24 COCSc1cccc(c1)Br 62a_100000691529_100000766300 [1,1,0,0,0,0|2,0,0]=4 10915 B11R1.24 COCSc1cccc(c1)Br 62a_100000766300_100000691529 [1,1,0,0,0,0|2,0,0]=4 10916 B11R1.24 COCSc1cccc(c1)C 62a_100000766300_100011215228 [1,1,0,0,0,0|2,0,0]=4 10917 B11R1.24 COCSc1cccc(c1)C 62a_100011215228_100000766300 [1,1,0,0,0,0|2,0,0]=4 10918 B11R1.24 COCSc1cccc(c1)Cl 62a_100000699651_100000766300 [1,1,0,0,0,0|2,0,0]=4 10919 B11R1.24 COCSc1cccc(c1)Cl 62a_100000766300_100000699651 [1,1,0,0,0,0|2,0,0]=4 10920 B11R1.24 COCSc1cccc(c1)F 62a_100000685547_100000766300 [1,1,0,0,0,0|2,0,0]=4 10921 B11R1.24 COCSc1cccc(c1)F 62a_100000766300_100000685547 [1,1,0,0,0,0|2,0,0]=4 10922 B11R1.24 COCSc1cccc(c1)N 62a_100000210019_100000766300 [1,1,0,0,0,0|2,0,0]=4 10923 B11R1.24 COCSc1cccc(c1)N 62a_100000766300_100000210019 [1,1,0,0,0,0|2,0,0]=4 10924 B11R1.24 COCSc1cccc(c1)O 62a_100000766300_100000211634 [1,1,0,0,0,0|2,0,0]=4 10925 B11R1.24 COCSc1cccc(c1)[S] 62a_100000766300_114929384022 [1,1,0,0,0,0|2,0,0]=4 10926 B11R1.24 COCSc1cccc(c1)[S] 62a_114929384022_100000766300 [1,1,0,0,0,0|2,0,0]=4 10927 B11R1.24 CSCCc1cccc(c1)Br 62a_100011740638_200000210301 [1,1,0,0,0,0|1,0,0]=3 10928 B11R1.24 CSCCc1cccc(c1)Br 62a_200000210301_100011740638 [1,1,0,0,0,0|1,0,0]=3 10929 B11R1.24 CSCCc1cccc(c1)C 62a_100011713685_200000210301 [1,1,0,0,0,0|1,0,0]=3 10930 B11R1.24 CSCCc1cccc(c1)C 62a_200000210301_100011713685 [1,1,0,0,0,0|1,0,0]=3 10931 B11R1.24 CSCCc1cccc(c1)Cl 62a_100011713710_200000210301 [1,1,0,0,0,0|1,0,0]=3 10932 B11R1.24 CSCCc1cccc(c1)Cl 62a_200000210301_100011713710 [1,1,0,0,0,0|1,0,0]=3 10933 B11R1.24 CSCCc1cccc(c1)F 62a_100011217235_200000210301 [1,1,0,0,0,0|1,0,0]=3 10934 B11R1.24 CSCCc1cccc(c1)F 62a_200000210301_100011217235 [1,1,0,0,0,0|1,0,0]=3 10935 B11R1.24 CSCNc1cccc(c1)Br 34a_100000210019_100011218213 [1,1,0,0,0,0|2,0,0]=4 10936 B11R1.24 CSCNc1cccc(c1)C 2230a_100000188690_100011218213 [1,1,0,0,0,0|2,0,0]=4 10937 B11R1.24 CSCNc1cccc(c1)C 34a_100000188690_100011218213 [1,1,0,0,0,0|2,0,0]=4 10938 B11R1.24 CSCNc1cccc(c1)Cl 34a_100000185859_100011218213 [1,1,0,0,0,0|2,0,0]=4 10939 B11R1.24 CSCNc1cccc(c1)F 34a_100000210047_100011218213 [1,1,0,0,0,0|2,0,0]=4 10940 B11R1.24 CSCNc1cccc(c1)I 34a_100000211102_100011218213 [1,1,0,0,0,0|2,0,0]=4 10941 B11R1.24 CSCNc1cccc(c1)O 34a_100000210217_100011218213 [1,1,0,0,0,0|2,0,0]=4 10942 B11R1.24 CSCOc1cccc(c1)Br 34a_100000210342_100011218213 [1,1,0,0,0,0|2,0,0]=4 10943 B11R1.24 CSCOc1cccc(c1)C 34a_100000210337_100011218213 [1,1,0,0,0,0|2,0,0]=4 10944 B11R1.24 CSCOc1cccc(c1)Cl 34a_100000210295_100011218213 [1,1,0,0,0,0|2,0,0]=4 10945 B11R1.24 CSCOc1cccc(c1)F 34a_100000210426_100011218213 [1,1,0,0,0,0|2,0,0]=4 10946 B11R1.24 CSCOc1cccc(c1)I 34a_100000211634_100011218213 [1,1,0,0,0,0|2,0,0]=4 10947 B11R1.24 CSCOc1cccc(c1)N 34a_100000210217_100011218213 [1,1,0,0,0,0|2,0,0]=4 10948 B11R1.24 CSCSc1cccc(c1)Br 62a_100000691529_100011218213 [1,1,0,0,0,0|2,0,0]=4 10949 B11R1.24 CSCSc1cccc(c1)Br 62a_100011218213_100000691529 [1,1,0,0,0,0|2,0,0]=4 10950 B11R1.24 CSCSc1cccc(c1)C 62a_100011215228_100011218213 [1,1,0,0,0,0|2,0,0]=4 10951 B11R1.24 CSCSc1cccc(c1)C 62a_100011218213_100011215228 [1,1,0,0,0,0|2,0,0]=4 10952 B11R1.24 CSCSc1cccc(c1)Cl 62a_100000699651_100011218213 [1,1,0,0,0,0|2,0,0]=4 10953 B11R1.24 CSCSc1cccc(c1)Cl 62a_100011218213_100000699651 [1,1,0,0,0,0|2,0,0]=4 10954 B11R1.24 CSCSc1cccc(c1)F 62a_100000685547_100011218213 [1,1,0,0,0,0|2,0,0]=4 10955 B11R1.24 CSCSc1cccc(c1)F 62a_100011218213_100000685547 [1,1,0,0,0,0|2,0,0]=4 10956 B11R1.24 CSCSc1cccc(c1)N 62a_100000210019_100011218213 [1,1,0,0,0,0|2,0,0]=4 10957 B11R1.24 CSCSc1cccc(c1)N 62a_100011218213_100000210019 [1,1,0,0,0,0|2,0,0]=4 10958 B11R1.24 CSCSc1cccc(c1)O 62a_100011218213_100000211634 [1,1,0,0,0,0|2,0,0]=4 10959 B11R1.24 CSCSc1cccc(c1)[S] 62a_100011218213_114929384022 [1,1,0,0,0,0|2,0,0]=4 10960 B11R1.24 CSCSc1cccc(c1)[S] 62a_114929384022_100011218213 [1,1,0,0,0,0|2,0,0]=4 10961 B11R1.24 Cc1cccc(c1)CCN[13CH3] 2230a_100000749837_200025704644 [1,1,0,0,0,0|0,0,0]=2 10962 B11R1.24 Cc1cccc(c1)CCN[13CH3] 34a_100000749837_200025704644 [1,1,0,0,0,0|0,0,0]=2 10963 B11R1.24 Cc1cccc(c1)CCO[13CH3] 34a_100011217157_200025704644 [1,1,0,0,0,0|1,0,0]=3 10964 B11R1.24 Cc1cccc(c1)CCO[13CH3] 7a_100011217157_200025704644 [1,1,0,0,0,0|1,0,0]=3 10965 B11R1.24 Cc1cccc(c1)CCS[13CH3] 62a_100011713685_200025704644 [1,1,0,0,0,0|1,0,0]=3 10966 B11R1.24 Cc1cccc(c1)CCS[13CH3] 62a_200025704644_100011713685 [1,1,0,0,0,0|1,0,0]=3 10967 B11R1.24 Cc1cccc(n1)CCN[13CH3] 2230a_100011824523_200025704644 [1,1,0,0,0,0|1,0,0]=3 10968 B11R1.24 Cc1cccc(n1)CCN[13CH3] 34a_100011824523_200025704644 [1,1,0,0,0,0|1,0,0]=3 10969 B11R1.24 N#CCCc1cccc(c1)O 271570a_203496583355_100011219771 [1,1,0,0,0,0|2,0,0]=4 10970 B11R1.24 NCCCc1cccc(c1)O 271570a_203496583355_100000753791 [1,1,0,0,0,0|2,0,0]=4 10971 B11R1.24 OCCCc1cccc(c1)O 271570a_203496583355_100011709248 [1,1,0,0,0,0|2,0,0]=4 10972 B11R1.24 [13CH3]NCCc1cccc(c1)Br 2230a_100011207229_200025704644 [1,1,0,0,0,0|0,0,0]=2 10973 B11R1.24 [13CH3]NCCc1cccc(c1)Br 34a_100011207229_200025704644 [1,1,0,0,0,0|0,0,0]=2 10974 B11R1.24 [13CH3]NCCc1cccc(c1)Cl 2230a_100000185263_200025704644 [1,1,0,0,0,0|0,0,0]=2 10975 B11R1.24 [13CH3]NCCc1cccc(c1)Cl 34a_100000185263_200025704644 [1,1,0,0,0,0|0,0,0]=2 10976 B11R1.24 [13CH3]NCCc1cccc(c1)F 2230a_100000205154_200025704644 [1,1,0,0,0,0|0,0,0]=2 10977 B11R1.24 [13CH3]NCCc1cccc(c1)F 34a_100000205154_200025704644 [1,1,0,0,0,0|0,0,0]=2 10978 B11R1.24 [13CH3]NCCc1cccc(c1)O 2230a_100000747277_200025704644 [1,1,0,0,0,0|0,0,0]=2 10979 B11R1.24 [13CH3]NCCc1cccc(c1)O 34a_100000747277_200025704644 [1,1,0,0,0,0|0,0,0]=2 10980 B11R1.24 [13CH3]OCCc1cccc(c1)Br 34a_100011217444_200025704644 [1,1,0,0,0,0|1,0,0]=3 10981 B11R1.24 [13CH3]OCCc1cccc(c1)Br 7a_100011217444_200025704644 [1,1,0,0,0,0|1,0,0]=3 10982 B11R1.24 [13CH3]OCCc1cccc(c1)Cl 34a_100000754733_200025704644 [1,1,0,0,0,0|1,0,0]=3 10983 B11R1.24 [13CH3]OCCc1cccc(c1)Cl 7a_100000754733_200025704644 [1,1,0,0,0,0|1,0,0]=3 10984 B11R1.24 [13CH3]OCCc1cccc(c1)F 34a_100000763591_200025704644 [1,1,0,0,0,0|1,0,0]=3 10985 B11R1.24 [13CH3]OCCc1cccc(c1)F 7a_100000763591_200025704644 [1,1,0,0,0,0|1,0,0]=3 10986 B11R1.24 [13CH3]OCCc1cccc(c1)N 34a_100011996697_200025704644 [1,1,0,0,0,0|1,0,0]=3 10987 B11R1.24 [13CH3]OCCc1cccc(n1)Br 34a_100010221043_200025704644 [1,1,0,0,0,0|2,0,0]=4 10988 B11R1.24 [13CH3]OCCc1cccc(n1)Br 7a_100010221043_200025704644 [1,1,0,0,0,0|2,0,0]=4 10989 B11R1.24 [13CH3]SCCc1cccc(c1)Br 62a_100011740638_200025704644 [1,1,0,0,0,0|1,0,0]=3 10990 B11R1.24 [13CH3]SCCc1cccc(c1)Br 62a_200025704644_100011740638 [1,1,0,0,0,0|1,0,0]=3 10991 B11R1.24 [13CH3]SCCc1cccc(c1)Cl 62a_100011713710_200025704644 [1,1,0,0,0,0|1,0,0]=3 10992 B11R1.24 [13CH3]SCCc1cccc(c1)Cl 62a_200025704644_100011713710 [1,1,0,0,0,0|1,0,0]=3 10993 B11R1.24 [13CH3]SCCc1cccc(c1)F 62a_100011217235_200025704644 [1,1,0,0,0,0|1,0,0]=3 10994 B11R1.24 [13CH3]SCCc1cccc(c1)F 62a_200025704644_100011217235 [1,1,0,0,0,0|1,0,0]=3 10995 B11R1.28 BrCCOCc1ccccc1 34a_100000211926_100015291786 [1,1,0,0,0,0|2,0,0]=4 10996 B11R1.28 C#CCCNc1ccccc1 34a_100000106764_100000688953 [1,1,0,0,0,0|1,0,1]=4 10997 B11R1.28 C#CCCOc1ccccc1 34a_100000210340_100000688953 [1,1,0,0,0,0|1,0,1]=4 10998 B11R1.28 C#CCCOc1ccccc1 7a_100000210340_100000688953 [1,1,0,0,0,0|1,0,1]=4 10999 B11R1.28 C#CCCSc1ccccc1 62a_100000688953_100000041952 [1,1,0,0,0,0|1,0,1]=4 11000 B11R1.28 C#CCCSc1ccccc1 62a_100000719477_100000688953 [1,1,0,0,0,0|1,0,1]=4 11001 B11R1.28 C#CCNCc1ccccc1 2230a_100015324214_100000038162 [1,1,0,0,0,0|1,0,1]=4 11002 B11R1.28 C#CCNCc1ccccc1 34a_100000212058_100015291786 [1,1,0,0,0,0|1,0,1]=4 11003 B11R1.28 C#CCNCc1ccccc1 34a_100015324214_100000184674 [1,1,0,0,0,0|1,0,1]=4 11004 B11R1.28 C#CCOCc1ccccc1 34a_100000210247_100015291786 [1,1,0,0,0,0|1,0,1]=4 11005 B11R1.28 C#CCOCc1ccccc1 34a_100000210790_100000184674 [1,1,0,0,0,0|1,0,1]=4 11006 B11R1.28 C#CCOCc1ccccc1 7a_100000210790_100000038162 [1,1,0,0,0,0|1,0,1]=4 11007 B11R1.28 C#CCSCc1ccccc1 62a_100000038162_100015291786 [1,1,0,0,0,0|1,0,1]=4 11008 B11R1.28 C/C=C/CNc1ccccc1 34a_100000106764_100102629194 [1,1,0,0,0,0|1,0,1]=4 11009 B11R1.28 C/C=C/COc1ccccc1 34a_100000210340_100102629194 [1,1,0,0,0,0|1,0,1]=4 11010 B11R1.28 C/C=C/COc1ccccc1 7a_100000210340_100102629194 [1,1,0,0,0,0|1,0,1]=4 11011 B11R1.28 C/C=C/CSc1ccccc1 62a_100000719477_100102629194 [1,1,0,0,0,0|1,0,1]=4 11012 B11R1.28 C/C=C/CSc1ccccc1 62a_100102629194_100000041952 [1,1,0,0,0,0|1,0,1]=4 11013 B11R1.28 C=CCCNc1ccccc1 34a_100000106764_100000754431 [1,1,0,0,0,0|1,0,1]=4 11014 B11R1.28 C=CCCOc1ccccc1 34a_100000210340_100000754431 [1,1,0,0,0,0|1,0,1]=4 11015 B11R1.28 C=CCCOc1ccccc1 7a_100000210340_100000754431 [1,1,0,0,0,0|1,0,1]=4 11016 B11R1.28 C=CCCSc1ccccc1 62a_100000719477_100000754431 [1,1,0,0,0,0|1,0,1]=4 11017 B11R1.28 C=CCCSc1ccccc1 62a_100000754431_100000041952 [1,1,0,0,0,0|1,0,1]=4 11018 B11R1.28 C=CCNCc1ccccc1 2230a_100015324214_100000210623 [1,1,0,0,0,0|1,0,1]=4 11019 B11R1.28 C=CCNCc1ccccc1 2230a_100020586998_100015291786 [1,1,0,0,0,0|1,0,1]=4 11020 B11R1.28 C=CCNCc1ccccc1 270004a_100020586998_100015611070 [1,1,0,0,0,0|1,0,1]=4 11021 B11R1.28 C=CCNCc1ccccc1 34a_100015324214_100015514636 [1,1,0,0,0,0|1,0,1]=4 11022 B11R1.28 C=CCOCc1ccccc1 34a_100000210790_100015514636 [1,1,0,0,0,0|1,0,1]=4 11023 B11R1.28 C=CCOCc1ccccc1 34a_200000210373_100015291786 [1,1,0,0,0,0|1,0,1]=4 11024 B11R1.28 C=CCOCc1ccccc1 7a_100000210790_100015514636 [1,1,0,0,0,0|1,0,1]=4 11025 B11R1.28 C=CCSCc1ccccc1 62a_100000210623_100015291786 [1,1,0,0,0,0|1,0,1]=4 11026 B11R1.28 C=CCSCc1ccccc1 62a_100000211182_100000210623 [1,1,0,0,0,0|1,0,1]=4 11027 B11R1.28 CC#CCNc1ccccc1 34a_100000106764_100000748600 [1,1,0,0,0,0|1,0,1]=4 11028 B11R1.28 CC#CCOc1ccccc1 34a_100000210340_100000748600 [1,1,0,0,0,0|1,0,1]=4 11029 B11R1.28 CC#CCOc1ccccc1 7a_100000210340_100000748600 [1,1,0,0,0,0|1,0,1]=4 11030 B11R1.28 CC#CCSc1ccccc1 62a_100000719477_100000748600 [1,1,0,0,0,0|1,0,1]=4 11031 B11R1.28 CC#CCSc1ccccc1 62a_100000748600_100000041952 [1,1,0,0,0,0|1,0,1]=4 11032 B11R1.28 CC=CCNc1ccccc1 34a_100000106764_100000070051 [1,1,0,0,0,0|1,0,1]=4 11033 B11R1.28 CC=CCOc1ccccc1 34a_100000210340_100000070051 [1,1,0,0,0,0|1,0,1]=4 11034 B11R1.28 CC=CCOc1ccccc1 7a_100000210340_100000070051 [1,1,0,0,0,0|1,0,1]=4 11035 B11R1.28 CC=CCSc1ccccc1 62a_100000070051_100000041952 [1,1,0,0,0,0|1,0,1]=4 11036 B11R1.28 CC=CCSc1ccccc1 62a_100000719477_100000070051 [1,1,0,0,0,0|1,0,1]=4 11037 B11R1.28 CC=NNCc1ccccc1 4a_100000007032_200000210099 [1,1,0,0,0,0|1,0,1]=4 11038 B11R1.28 CCCC=Cc1ccccc1 271570a_100016258520_100000210277 [1,1,0,0,0,0|1,0,1]=4 11039 B11R1.28 CCCCNc1ccccc1 34a_100000106764_100000210210 [1,1,0,0,0,0|1,0,0]=3 11040 B11R1.28 CCCCOc1ccccc1 34a_100000210340_100000210210 [1,1,0,0,0,0|1,0,0]=3 11041 B11R1.28 CCCCOc1ccccc1 7a_100000210340_100000210211 [1,1,0,0,0,0|1,0,0]=3 11042 B11R1.28 CCCCOc1cccnc1 34a_100000210849_100000210210 [1,1,0,0,0,0|2,0,0]=4 11043 B11R1.28 CCCCOc1cccnc1 7a_100000210849_100000210211 [1,1,0,0,0,0|2,0,0]=4 11044 B11R1.28 CCCCOc1ccncc1 34a_100000212176_100000210210 [1,1,0,0,0,0|2,0,0]=4 11045 B11R1.28 CCCCSc1ccccc1 62a_100000210211_100000041952 [1,1,0,0,0,0|1,0,0]=3 11046 B11R1.28 CCCCSc1ccccc1 62a_100000719477_100000210210 [1,1,0,0,0,0|1,0,0]=3 11047 B11R1.28 CCCCSc1ccccn1 62a_100000210211_100011216584 [1,1,0,0,0,0|2,0,0]=4 11048 B11R1.28 CCCCSc1ccccn1 62a_100011216584_100000210210 [1,1,0,0,0,0|2,0,0]=4 11049 B11R1.28 CCCCSc1cccnc1 62a_100000210063_100000210210 [1,1,0,0,0,0|2,0,0]=4 11050 B11R1.28 CCCCSc1cccnc1 62a_100000210211_100000210063 [1,1,0,0,0,0|2,0,0]=4 11051 B11R1.28 CCCCSc1ccncc1 62a_100000210211_100000728582 [1,1,0,0,0,0|2,0,0]=4 11052 B11R1.28 CCCCSc1ccncc1 62a_100000728582_100000210210 [1,1,0,0,0,0|2,0,0]=4 11053 B11R1.28 CCCNCc1ccccc1 207a_100020643023_100015611070 [1,1,0,0,0,0|1,0,0]=3 11054 B11R1.28 CCCNCc1ccccc1 2230a_100015324214_100000210303 [1,1,0,0,0,0|1,0,0]=3 11055 B11R1.28 CCCNCc1ccccc1 270004a_100020643023_100015611070 [1,1,0,0,0,0|1,0,0]=3 11056 B11R1.28 CCCNCc1ccccc1 34a_100015324214_100000210303 [1,1,0,0,0,0|1,0,0]=3 11057 B11R1.28 CCCNCc1ccccn1 207a_100020643023_100000209966 [1,1,0,0,0,0|2,0,0]=4 11058 B11R1.28 CCCNCc1ccccn1 270004a_100020643023_100000209966 [1,1,0,0,0,0|2,0,0]=4 11059 B11R1.28 CCCNCc1cccnc1 207a_100020643023_100000209961 [1,1,0,0,0,0|2,0,0]=4 11060 B11R1.28 CCCNCc1cccnc1 270004a_100020643023_100000209961 [1,1,0,0,0,0|2,0,0]=4 11061 B11R1.28 CCCNCc1ccncc1 207a_100020643023_100000186114 [1,1,0,0,0,0|2,0,0]=4 11062 B11R1.28 CCCOCc1ccccc1 34a_100000210258_100015291786 [1,1,0,0,0,0|1,0,0]=3 11063 B11R1.28 CCCOCc1ccccc1 34a_100000210790_100000210303 [1,1,0,0,0,0|1,0,0]=3 11064 B11R1.28 CCCOCc1ccccc1 7a_100000210790_100000210303 [1,1,0,0,0,0|1,0,0]=3 11065 B11R1.28 CCCOCc1ccccn1 34a_100000210258_100000721315 [1,1,0,0,0,0|2,0,0]=4 11066 B11R1.28 CCCOCc1cccnc1 34a_100000210258_100000733263 [1,1,0,0,0,0|2,0,0]=4 11067 B11R1.28 CCCSCc1ccccc1 62a_100000210303_100015291786 [1,1,0,0,0,0|1,0,0]=3 11068 B11R1.28 CCCSCc1ccccc1 62a_100000211182_100000210303 [1,1,0,0,0,0|1,0,0]=3 11069 B11R1.28 CCCSCc1ccccn1 62a_100000210303_100000721315 [1,1,0,0,0,0|2,0,0]=4 11070 B11R1.28 CCCSCc1ccccn1 62a_100000721315_100000210303 [1,1,0,0,0,0|2,0,0]=4 11071 B11R1.28 CCCSCc1cccnc1 62a_100000210303_100000741622 [1,1,0,0,0,0|2,0,0]=4 11072 B11R1.28 CCCSCc1cccnc1 62a_100000741622_100000210303 [1,1,0,0,0,0|2,0,0]=4 11073 B11R1.28 CCCSCc1ccncc1 62a_100000210303_100015193705 [1,1,0,0,0,0|2,0,0]=4 11074 B11R1.28 CCCSCc1ccncc1 62a_100015193705_100000210303 [1,1,0,0,0,0|2,0,0]=4 11075 B11R1.28 CCNCCc1ccccc1 2230a_100000106460_100000210202 [1,1,0,0,0,0|0,0,0]=2 11076 B11R1.28 CCNCCc1ccccc1 2230a_100015525214_100000765856 [1,1,0,0,0,0|0,0,0]=2 11077 B11R1.28 CCNCCc1ccccc1 34a_100000106460_100000210202 [1,1,0,0,0,0|0,0,0]=2 11078 B11R1.28 CCNCCc1ccccn1 2230a_100015525214_100015183660 [1,1,0,0,0,0|1,0,0]=3 11079 B11R1.28 CCNCCc1cccnc1 2230a_100000736294_100000210202 [1,1,0,0,0,0|1,0,0]=3 11080 B11R1.28 CCNCCc1cccnc1 2230a_100015525214_200011713674 [1,1,0,0,0,0|1,0,0]=3 11081 B11R1.28 CCNCCc1ccncc1 2230a_100015525214_100000723409 [1,1,0,0,0,0|1,0,0]=3 11082 B11R1.28 CCNCSc1ccccc1 2230a_100015525214_100011218342 [1,1,0,0,0,0|1,0,0]=3 11083 B11R1.28 CCNN=Cc1ccccc1 4a_100000756455_100015611070 [1,1,0,0,0,0|1,0,1]=4 11084 B11R1.28 CCOCCc1ccccc1 34a_100000210268_100000210202 [1,1,0,0,0,0|1,0,0]=3 11085 B11R1.28 CCOCCc1ccccc1 34a_100121572206_100000765856 [1,1,0,0,0,0|1,0,0]=3 11086 B11R1.28 CCOCCc1ccccc1 7a_100000210268_100000210202 [1,1,0,0,0,0|1,0,0]=3 11087 B11R1.28 CCOCCc1ccccn1 34a_100000210271_100000210202 [1,1,0,0,0,0|2,0,0]=4 11088 B11R1.28 CCOCCc1cccnc1 34a_100011217484_100000210202 [1,1,0,0,0,0|2,0,0]=4 11089 B11R1.28 CCOCCc1ccncc1 34a_100011216225_100000210202 [1,1,0,0,0,0|2,0,0]=4 11090 B11R1.28 CCOCSc1ccccc1 62a_100000719477_100000739092 [1,1,0,0,0,0|2,0,0]=4 11091 B11R1.28 CCOCSc1ccccc1 62a_100000739092_100000041952 [1,1,0,0,0,0|2,0,0]=4 11092 B11R1.28 CCSCCc1ccccc1 62a_100000210202_100011218657 [1,1,0,0,0,0|1,0,0]=3 11093 B11R1.28 CCSCCc1ccccc1 62a_100000765856_100000210202 [1,1,0,0,0,0|1,0,0]=3 11094 B11R1.28 CCSCCc1ccccn1 62a_100000210202_100015183660 [1,1,0,0,0,0|2,0,0]=4 11095 B11R1.28 CCSCCc1ccccn1 62a_100015183660_100000210202 [1,1,0,0,0,0|2,0,0]=4 11096 B11R1.28 CCSCCc1cccnc1 62a_100000210202_200011713674 [1,1,0,0,0,0|2,0,0]=4 11097 B11R1.28 CCSCCc1cccnc1 62a_200011713674_100000210202 [1,1,0,0,0,0|2,0,0]=4 11098 B11R1.28 CCSCCc1ccncc1 62a_100000210202_100000723409 [1,1,0,0,0,0|2,0,0]=4 11099 B11R1.28 CCSCCc1ccncc1 62a_100000723409_100000210202 [1,1,0,0,0,0|2,0,0]=4 11100 B11R1.28 CCSCSc1ccccc1 62a_100000210202_100011218342 [1,1,0,0,0,0|2,0,0]=4 11101 B11R1.28 CCSCSc1ccccc1 62a_100011218342_100000210202 [1,1,0,0,0,0|2,0,0]=4 11102 B11R1.28 CNC/C=C/c1ccccc1 2230a_100020603302_200000210301 [1,1,0,0,0,0|0,0,1]=3 11103 B11R1.28 CNC/C=C/c1ccccc1 2230a_106832991635_100016265936 [1,1,0,0,0,0|0,0,1]=3 11104 B11R1.28 CNC/C=C/c1ccccc1 34a_100020603302_200000210301 [1,1,0,0,0,0|0,0,1]=3 11105 B11R1.28 CNC/C=C/c1ccccc1 34a_100102657272_100016265936 [1,1,0,0,0,0|0,0,1]=3 11106 B11R1.28 CNC/C=C/c1ccccc1 7a_106832991635_100016265936 [1,1,0,0,0,0|0,0,1]=3 11107 B11R1.28 CNCC#Cc1ccccc1 2230a_106832991635_100011352542 [1,1,0,0,0,0|0,0,1]=3 11108 B11R1.28 CNCC#Cc1ccccc1 34a_100000735379_200000210301 [1,1,0,0,0,0|0,0,1]=3 11109 B11R1.28 CNCC#Cc1ccccc1 34a_100102657272_100011352542 [1,1,0,0,0,0|0,0,1]=3 11110 B11R1.28 CNCC#Cc1ccccc1 7a_106832991635_100011352542 [1,1,0,0,0,0|0,0,1]=3 11111 B11R1.28 CNCC=Cc1ccccc1 270004a_106832991635_100000210105 [1,1,0,0,0,0|0,0,1]=3 11112 B11R1.28 CNCCCc1ccccc1 2230a_100000211184_200000210301 [1,1,0,0,0,0|0,0,0]=2 11113 B11R1.28 CNCCCc1ccccc1 2230a_106832991635_100000211621 [1,1,0,0,0,0|0,0,0]=2 11114 B11R1.28 CNCCCc1ccccc1 34a_100000211184_200000210301 [1,1,0,0,0,0|0,0,0]=2 11115 B11R1.28 CNCCCc1ccccc1 34a_100102657272_100000211621 [1,1,0,0,0,0|0,0,0]=2 11116 B11R1.28 CNCCCc1ccccc1 7a_106832991635_100000211621 [1,1,0,0,0,0|0,0,0]=2 11117 B11R1.28 CNCCCc1cccnc1 2230a_100011532358_200000210301 [1,1,0,0,0,0|1,0,0]=3 11118 B11R1.28 CNCCCc1cccnc1 34a_100011532358_200000210301 [1,1,0,0,0,0|1,0,0]=3 11119 B11R1.28 CNCCCc1ccncc1 2230a_100011275580_200000210301 [1,1,0,0,0,0|1,0,0]=3 11120 B11R1.28 CNCCOc1ccccc1 2230a_100000174943_200000210301 [1,1,0,0,0,0|0,0,0]=2 11121 B11R1.28 CNCCOc1ccccc1 2230a_106832991635_100000184471 [1,1,0,0,0,0|0,0,0]=2 11122 B11R1.28 CNCCOc1ccccc1 270004a_106832991635_100000758736 [1,1,0,0,0,0|0,0,0]=2 11123 B11R1.28 CNCCOc1ccccc1 34a_100000174943_200000210301 [1,1,0,0,0,0|0,0,0]=2 11124 B11R1.28 CNCCOc1ccccc1 34a_100102657272_100000184471 [1,1,0,0,0,0|0,0,0]=2 11125 B11R1.28 CNCCOc1ccccc1 7a_106832991635_100000184471 [1,1,0,0,0,0|0,0,0]=2 11126 B11R1.28 CNCCOc1ccccn1 2230a_106741647558_200000210301 [1,1,0,0,0,0|1,0,0]=3 11127 B11R1.28 CNCCOc1cccnc1 2230a_100000754688_200000210301 [1,1,0,0,0,0|1,0,0]=3 11128 B11R1.28 CNCCSc1ccccc1 2230a_100000189519_200000210301 [1,1,0,0,0,0|0,0,0]=2 11129 B11R1.28 CNCCSc1ccccc1 2230a_106832991635_100000246102 [1,1,0,0,0,0|0,0,0]=2 11130 B11R1.28 CNCCSc1ccccc1 34a_100102657272_100000246102 [1,1,0,0,0,0|0,0,0]=2 11131 B11R1.28 CNCCSc1ccccc1 7a_106832991635_100000246102 [1,1,0,0,0,0|0,0,0]=2 11132 B11R1.28 CNCOCc1ccccc1 2230a_106832991635_100000763385 [1,1,0,0,0,0|0,0,0]=2 11133 B11R1.28 CNCOCc1ccccc1 34a_100102657272_100000763385 [1,1,0,0,0,0|0,0,0]=2 11134 B11R1.28 CNCSCc1ccccc1 2230a_106832991635_200011217039 [1,1,0,0,0,0|0,0,0]=2 11135 B11R1.28 CNCSCc1ccccc1 34a_100102657272_200011217039 [1,1,0,0,0,0|0,0,0]=2 11136 B11R1.28 COC/C=C/c1ccccc1 34a_100000210256_200000210301 [1,1,0,0,0,0|1,0,1]=4 11137 B11R1.28 COC/C=C/c1ccccc1 34a_100138415774_100016265936 [1,1,0,0,0,0|1,0,1]=4 11138 B11R1.28 COCC#Cc1ccccc1 34a_100011217464_200000210301 [1,1,0,0,0,0|1,0,1]=4 11139 B11R1.28 COCC#Cc1ccccc1 34a_100138415774_100011352542 [1,1,0,0,0,0|1,0,1]=4 11140 B11R1.28 COCC#Cc1ccccc1 7a_100011217464_200000210301 [1,1,0,0,0,0|1,0,1]=4 11141 B11R1.28 COCC=Cc1ccccc1 271570a_100016286323_100000210277 [1,1,0,0,0,0|1,0,1]=4 11142 B11R1.28 COCCCc1ccccc1 34a_100000210828_200000210301 [1,1,0,0,0,0|1,0,0]=3 11143 B11R1.28 COCCCc1ccccc1 34a_100138415774_100000211621 [1,1,0,0,0,0|1,0,0]=3 11144 B11R1.28 COCCCc1ccccc1 7a_100000210828_200000210301 [1,1,0,0,0,0|1,0,0]=3 11145 B11R1.28 COCCCc1ccccn1 34a_100011215068_200000210301 [1,1,0,0,0,0|2,0,0]=4 11146 B11R1.28 COCCCc1cccnc1 34a_100000211284_200000210301 [1,1,0,0,0,0|2,0,0]=4 11147 B11R1.28 COCCCc1ccncc1 34a_100000210659_200000210301 [1,1,0,0,0,0|2,0,0]=4 11148 B11R1.28 COCCNc1ccccc1 34a_100000106764_100011201679 [1,1,0,0,0,0|1,0,0]=3 11149 B11R1.28 COCCNc1ccccc1 34a_100000211345_200000210301 [1,1,0,0,0,0|1,0,0]=3 11150 B11R1.28 COCCNc1ccncc1 34a_200011243140_200000210301 [1,1,0,0,0,0|2,0,0]=4 11151 B11R1.28 COCCOc1ccccc1 34a_100000210260_200000210301 [1,1,0,0,0,0|1,0,0]=3 11152 B11R1.28 COCCOc1ccccc1 34a_100000210340_100011201679 [1,1,0,0,0,0|1,0,0]=3 11153 B11R1.28 COCCOc1ccccc1 34a_100138415774_100000184471 [1,1,0,0,0,0|1,0,0]=3 11154 B11R1.28 COCCOc1ccccc1 7a_100000210260_200000210301 [1,1,0,0,0,0|1,0,0]=3 11155 B11R1.28 COCCOc1ccccc1 7a_100000210340_100000233755 [1,1,0,0,0,0|1,0,0]=3 11156 B11R1.28 COCCOc1cccnc1 34a_100000210849_100011201679 [1,1,0,0,0,0|2,0,0]=4 11157 B11R1.28 COCCOc1cccnc1 7a_100000210849_100000233755 [1,1,0,0,0,0|2,0,0]=4 11158 B11R1.28 COCCOc1ccncc1 34a_100000212176_100011201679 [1,1,0,0,0,0|2,0,0]=4 11159 B11R1.28 COCCSc1ccccc1 34a_100138415774_100000246102 [1,1,0,0,0,0|1,0,0]=3 11160 B11R1.28 COCCSc1ccccc1 62a_100000233755_100000041952 [1,1,0,0,0,0|1,0,0]=3 11161 B11R1.28 COCCSc1ccccc1 62a_100000719477_100000233755 [1,1,0,0,0,0|1,0,0]=3 11162 B11R1.28 COCCSc1ccccc1 7a_100000230494_200000210301 [1,1,0,0,0,0|1,0,0]=3 11163 B11R1.28 COCCSc1ccccn1 62a_100000233755_100011216584 [1,1,0,0,0,0|2,0,0]=4 11164 B11R1.28 COCCSc1ccccn1 62a_100011216584_100000233755 [1,1,0,0,0,0|2,0,0]=4 11165 B11R1.28 COCCSc1ccccn1 7a_100000156319_200000210301 [1,1,0,0,0,0|2,0,0]=4 11166 B11R1.28 COCCSc1cccnc1 62a_100000210063_100000233755 [1,1,0,0,0,0|2,0,0]=4 11167 B11R1.28 COCCSc1cccnc1 62a_100000233755_100000210063 [1,1,0,0,0,0|2,0,0]=4 11168 B11R1.28 COCCSc1ccncc1 62a_100000233755_100000728582 [1,1,0,0,0,0|2,0,0]=4 11169 B11R1.28 COCCSc1ccncc1 62a_100000728582_100000233755 [1,1,0,0,0,0|2,0,0]=4 11170 B11R1.28 COCNCc1ccccc1 2230a_100015324214_100000766300 [1,1,0,0,0,0|1,0,0]=3 11171 B11R1.28 COCOCc1ccccc1 34a_100138415774_100000763385 [1,1,0,0,0,0|1,0,0]=3 11172 B11R1.28 COCSCc1ccccc1 34a_100138415774_200011217039 [1,1,0,0,0,0|1,0,0]=3 11173 B11R1.28 COCSCc1ccccc1 62a_100000211182_100000766300 [1,1,0,0,0,0|1,0,0]=3 11174 B11R1.28 COCSCc1ccccc1 62a_100000766300_100015291786 [1,1,0,0,0,0|1,0,0]=3 11175 B11R1.28 COCSCc1ccccn1 62a_100000721315_100000766300 [1,1,0,0,0,0|2,0,0]=4 11176 B11R1.28 COCSCc1ccccn1 62a_100000766300_100000721315 [1,1,0,0,0,0|2,0,0]=4 11177 B11R1.28 COCSCc1cccnc1 62a_100000741622_100000766300 [1,1,0,0,0,0|2,0,0]=4 11178 B11R1.28 COCSCc1cccnc1 62a_100000766300_100000741622 [1,1,0,0,0,0|2,0,0]=4 11179 B11R1.28 COCSCc1ccncc1 62a_100000766300_100015193705 [1,1,0,0,0,0|2,0,0]=4 11180 B11R1.28 COCSCc1ccncc1 62a_100015193705_100000766300 [1,1,0,0,0,0|2,0,0]=4 11181 B11R1.28 CSC/C=C/c1ccccc1 62a_100016265936_200000210301 [1,1,0,0,0,0|1,0,1]=4 11182 B11R1.28 CSC/C=C/c1ccccc1 62a_200000210301_100016265936 [1,1,0,0,0,0|1,0,1]=4 11183 B11R1.28 CSCC#Cc1ccccc1 62a_200000210301_100011352542 [1,1,0,0,0,0|1,0,1]=4 11184 B11R1.28 CSCCCc1ccccc1 62a_100000211621_200000210301 [1,1,0,0,0,0|1,0,0]=3 11185 B11R1.28 CSCCCc1ccccc1 62a_200000210301_100000211621 [1,1,0,0,0,0|1,0,0]=3 11186 B11R1.28 CSCCNc1ccccc1 34a_100000106764_100000212216 [1,1,0,0,0,0|1,0,0]=3 11187 B11R1.28 CSCCOc1ccccc1 34a_100000210340_100000212216 [1,1,0,0,0,0|1,0,0]=3 11188 B11R1.28 CSCCOc1ccccc1 62a_100000184471_200000210301 [1,1,0,0,0,0|1,0,0]=3 11189 B11R1.28 CSCCOc1ccccc1 62a_200000210301_100000184471 [1,1,0,0,0,0|1,0,0]=3 11190 B11R1.28 CSCCOc1ccccc1 7a_100000210340_100000212216 [1,1,0,0,0,0|1,0,0]=3 11191 B11R1.28 CSCCOc1cccnc1 34a_100000210849_100000212216 [1,1,0,0,0,0|2,0,0]=4 11192 B11R1.28 CSCCOc1cccnc1 7a_100000210849_100000212216 [1,1,0,0,0,0|2,0,0]=4 11193 B11R1.28 CSCCOc1ccncc1 34a_100000212176_100000212216 [1,1,0,0,0,0|2,0,0]=4 11194 B11R1.28 CSCCSc1ccccc1 62a_100000212216_100000041952 [1,1,0,0,0,0|1,0,0]=3 11195 B11R1.28 CSCCSc1ccccc1 62a_100000246102_200000210301 [1,1,0,0,0,0|1,0,0]=3 11196 B11R1.28 CSCCSc1ccccc1 62a_100000719477_100000751147 [1,1,0,0,0,0|1,0,0]=3 11197 B11R1.28 CSCCSc1ccccc1 62a_200000210301_100000246102 [1,1,0,0,0,0|1,0,0]=3 11198 B11R1.28 CSCCSc1ccccn1 62a_100000212216_100011216584 [1,1,0,0,0,0|2,0,0]=4 11199 B11R1.28 CSCCSc1ccccn1 62a_100011216584_100000751147 [1,1,0,0,0,0|2,0,0]=4 11200 B11R1.28 CSCCSc1cccnc1 62a_100000210063_100000751147 [1,1,0,0,0,0|2,0,0]=4 11201 B11R1.28 CSCCSc1cccnc1 62a_100000212216_100000210063 [1,1,0,0,0,0|2,0,0]=4 11202 B11R1.28 CSCCSc1ccncc1 62a_100000212216_100000728582 [1,1,0,0,0,0|2,0,0]=4 11203 B11R1.28 CSCCSc1ccncc1 62a_100000728582_100000751147 [1,1,0,0,0,0|2,0,0]=4 11204 B11R1.28 CSCNCc1ccccc1 2230a_100015324214_100011218213 [1,1,0,0,0,0|1,0,0]=3 11205 B11R1.28 CSCNCc1ccccc1 34a_100015324214_100011218213 [1,1,0,0,0,0|1,0,0]=3 11206 B11R1.28 CSCOCc1ccccc1 34a_100000210790_100011218213 [1,1,0,0,0,0|1,0,0]=3 11207 B11R1.28 CSCOCc1ccccc1 62a_100000763385_200000210301 [1,1,0,0,0,0|1,0,0]=3 11208 B11R1.28 CSCOCc1ccccc1 62a_200000210301_100000763385 [1,1,0,0,0,0|1,0,0]=3 11209 B11R1.28 CSCSCc1ccccc1 62a_100000211182_100011218213 [1,1,0,0,0,0|1,0,0]=3 11210 B11R1.28 CSCSCc1ccccc1 62a_100011218213_100015291786 [1,1,0,0,0,0|1,0,0]=3 11211 B11R1.28 CSCSCc1ccccc1 62a_200000210301_200011217039 [1,1,0,0,0,0|1,0,0]=3 11212 B11R1.28 CSCSCc1ccccc1 62a_200011217039_200000210301 [1,1,0,0,0,0|1,0,0]=3 11213 B11R1.28 CSCSCc1ccccn1 62a_100000721315_100011218213 [1,1,0,0,0,0|2,0,0]=4 11214 B11R1.28 CSCSCc1ccccn1 62a_100011218213_100000721315 [1,1,0,0,0,0|2,0,0]=4 11215 B11R1.28 CSCSCc1cccnc1 62a_100000741622_100011218213 [1,1,0,0,0,0|2,0,0]=4 11216 B11R1.28 CSCSCc1cccnc1 62a_100011218213_100000741622 [1,1,0,0,0,0|2,0,0]=4 11217 B11R1.28 CSCSCc1ccncc1 62a_100011218213_100015193705 [1,1,0,0,0,0|2,0,0]=4 11218 B11R1.28 CSCSCc1ccncc1 62a_100015193705_100011218213 [1,1,0,0,0,0|2,0,0]=4 11219 B11R1.28 FCCCNc1ccccc1 34a_100000106764_100011934791 [1,1,0,0,0,0|2,0,0]=4 11220 B11R1.28 FCCCOc1ccccc1 34a_100000210340_100011934791 [1,1,0,0,0,0|2,0,0]=4 11221 B11R1.28 FCCCOc1ccccc1 7a_100000210340_100011934791 [1,1,0,0,0,0|2,0,0]=4 11222 B11R1.28 FCCCSc1ccccc1 62a_100000719477_100011934791 [1,1,0,0,0,0|2,0,0]=4 11223 B11R1.28 FCCCSc1ccccc1 62a_100011934791_100000041952 [1,1,0,0,0,0|2,0,0]=4 11224 B11R1.28 FCCNCc1ccccc1 2230a_100015324214_100011217306 [1,1,0,0,0,0|2,0,0]=4 11225 B11R1.28 FCCNCc1ccccc1 34a_100000724931_100015291786 [1,1,0,0,0,0|2,0,0]=4 11226 B11R1.28 FCCNCc1ccccc1 34a_100015324214_100011217306 [1,1,0,0,0,0|2,0,0]=4 11227 B11R1.28 FCCOCc1ccccc1 34a_100000210790_100011217306 [1,1,0,0,0,0|2,0,0]=4 11228 B11R1.28 FCCOCc1ccccc1 7a_100000210790_100011217306 [1,1,0,0,0,0|2,0,0]=4 11229 B11R1.28 FCCSCc1ccccc1 62a_100000211182_100011217306 [1,1,0,0,0,0|2,0,0]=4 11230 B11R1.28 FCCSCc1ccccc1 62a_100011217306_100015291786 [1,1,0,0,0,0|2,0,0]=4 11231 B11R1.28 FCNCCc1ccccc1 34a_100000106460_100015361967 [1,1,0,0,0,0|0,0,0]=2 11232 B11R1.28 FCOCCc1ccccc1 34a_100000210268_100015361967 [1,1,0,0,0,0|1,0,0]=3 11233 B11R1.28 FCOCCc1ccccc1 7a_100000210268_100015361967 [1,1,0,0,0,0|1,0,0]=3 11234 B11R1.28 FCOCCc1ccccn1 34a_100000210271_100015361967 [1,1,0,0,0,0|2,0,0]=4 11235 B11R1.28 FCOCCc1cccnc1 34a_100011217484_100015361967 [1,1,0,0,0,0|2,0,0]=4 11236 B11R1.28 FCOCCc1ccncc1 34a_100011216225_100015361967 [1,1,0,0,0,0|2,0,0]=4 11237 B11R1.28 FCSCCc1ccccc1 62a_100000765856_100015361967 [1,1,0,0,0,0|1,0,0]=3 11238 B11R1.28 FCSCCc1ccccc1 62a_100015361967_100011218657 [1,1,0,0,0,0|1,0,0]=3 11239 B11R1.28 FCSCCc1ccccn1 62a_100015183660_100015361967 [1,1,0,0,0,0|2,0,0]=4 11240 B11R1.28 FCSCCc1ccccn1 62a_100015361967_100015183660 [1,1,0,0,0,0|2,0,0]=4 11241 B11R1.28 FCSCCc1cccnc1 62a_100015361967_200011713674 [1,1,0,0,0,0|2,0,0]=4 11242 B11R1.28 FCSCCc1cccnc1 62a_200011713674_100015361967 [1,1,0,0,0,0|2,0,0]=4 11243 B11R1.28 FCSCCc1ccncc1 62a_100000723409_100015361967 [1,1,0,0,0,0|2,0,0]=4 11244 B11R1.28 FCSCCc1ccncc1 62a_100015361967_100000723409 [1,1,0,0,0,0|2,0,0]=4 11245 B11R1.28 FCSCSc1ccccc1 62a_100011218342_100015361967 [1,1,0,0,0,0|2,0,0]=4 11246 B11R1.28 FCSCSc1ccccc1 62a_100015361967_100011218342 [1,1,0,0,0,0|2,0,0]=4 11247 B11R1.28 N#CCCOc1ccccc1 7a_100000210340_100000184422 [1,1,0,0,0,0|2,0,0]=4 11248 B11R1.28 N#CCCSc1ccccc1 62a_100000719477_100011215226 [1,1,0,0,0,0|2,0,0]=4 11249 B11R1.28 N#CCCSc1ccccc1 62a_100011215226_100000041952 [1,1,0,0,0,0|2,0,0]=4 11250 B11R1.28 N#CCNCc1ccccc1 2230a_100015324214_100011215382 [1,1,0,0,0,0|2,0,0]=4 11251 B11R1.28 N#CCOCc1ccccc1 7a_100000210790_100011215382 [1,1,0,0,0,0|2,0,0]=4 11252 B11R1.28 N#CCSCc1ccccc1 62a_100000211182_100011215382 [1,1,0,0,0,0|2,0,0]=4 11253 B11R1.28 N#CCSCc1ccccc1 62a_100011215382_100015291786 [1,1,0,0,0,0|2,0,0]=4 11254 B11R1.28 NCCOCc1ccccc1 34a_100000210304_100015291786 [1,1,0,0,0,0|2,0,0]=4 11255 B11R1.28 O=CCNCc1ccccc1 2230a_100015324214_200015260668 [1,1,0,0,0,0|2,0,0]=4 11256 B11R1.28 O=CCNCc1ccccc1 34a_100015324214_200009817547 [1,1,0,0,0,0|2,0,0]=4 11257 B11R1.28 O=CCOCc1ccccc1 34a_100000210790_200009817547 [1,1,0,0,0,0|2,0,0]=4 11258 B11R1.28 O=CCOCc1ccccc1 7a_100000210790_200015260668 [1,1,0,0,0,0|2,0,0]=4 11259 B11R1.28 O=CCSCc1ccccc1 62a_100000211182_200015260668 [1,1,0,0,0,0|2,0,0]=4 11260 B11R1.28 O=CCSCc1ccccc1 62a_200015260668_100015291786 [1,1,0,0,0,0|2,0,0]=4 11261 B11R1.28 OCCCNc1ccccc1 34a_100000106764_100000230001 [1,1,0,0,0,0|2,0,0]=4 11262 B11R1.28 OCCCOc1ccccc1 34a_100000210340_100000230001 [1,1,0,0,0,0|2,0,0]=4 11263 B11R1.28 OCCCOc1ccccc1 7a_100000210340_100011215043 [1,1,0,0,0,0|2,0,0]=4 11264 B11R1.28 OCCCSc1ccccc1 62a_100000719477_100011215043 [1,1,0,0,0,0|2,0,0]=4 11265 B11R1.28 OCCCSc1ccccc1 62a_100011215043_100000041952 [1,1,0,0,0,0|2,0,0]=4 11266 B11R1.28 OCCNCc1ccccc1 207a_100000210304_100015611070 [1,1,0,0,0,0|2,0,0]=4 11267 B11R1.28 OCCNCc1ccccc1 2230a_100015324214_100000211926 [1,1,0,0,0,0|2,0,0]=4 11268 B11R1.28 OCCNCc1ccccc1 2230a_100016997473_100015291786 [1,1,0,0,0,0|2,0,0]=4 11269 B11R1.28 OCCNCc1ccccc1 270004a_100000210304_100015611070 [1,1,0,0,0,0|2,0,0]=4 11270 B11R1.28 OCCNCc1ccccc1 34a_100015324214_100000211926 [1,1,0,0,0,0|2,0,0]=4 11271 B11R1.28 OCCNCc1ccccc1 34a_100016990907_100015291786 [1,1,0,0,0,0|2,0,0]=4 11272 B11R1.28 OCCOCc1ccccc1 34a_100000210790_100000211926 [1,1,0,0,0,0|2,0,0]=4 11273 B11R1.28 OCCOCc1ccccc1 7a_100000210790_100000211926 [1,1,0,0,0,0|2,0,0]=4 11274 B11R1.28 OCCSCc1ccccc1 62a_100000211182_100000211926 [1,1,0,0,0,0|2,0,0]=4 11275 B11R1.28 OCCSCc1ccccc1 62a_100000211926_100015291786 [1,1,0,0,0,0|2,0,0]=4 11276 B11R1.28 [13CH3]NC/C=C/c1ccccc1 2230a_100020603302_200025704644 [1,1,0,0,0,0|0,0,1]=3 11277 B11R1.28 [13CH3]NC/C=C/c1ccccc1 34a_100020603302_200025704644 [1,1,0,0,0,0|0,0,1]=3 11278 B11R1.28 [13CH3]NCC#Cc1ccccc1 34a_100000735379_200025704644 [1,1,0,0,0,0|0,0,1]=3 11279 B11R1.28 [13CH3]NCCCc1ccccc1 2230a_100000211184_200025704644 [1,1,0,0,0,0|0,0,0]=2 11280 B11R1.28 [13CH3]NCCCc1ccccc1 34a_100000211184_200025704644 [1,1,0,0,0,0|0,0,0]=2 11281 B11R1.28 [13CH3]NCCCc1cccnc1 2230a_100011532358_200025704644 [1,1,0,0,0,0|1,0,0]=3 11282 B11R1.28 [13CH3]NCCCc1cccnc1 34a_100011532358_200025704644 [1,1,0,0,0,0|1,0,0]=3 11283 B11R1.28 [13CH3]NCCCc1ccncc1 2230a_100011275580_200025704644 [1,1,0,0,0,0|1,0,0]=3 11284 B11R1.28 [13CH3]NCCOc1ccccc1 2230a_100000174943_200025704644 [1,1,0,0,0,0|0,0,0]=2 11285 B11R1.28 [13CH3]NCCOc1ccccc1 34a_100000174943_200025704644 [1,1,0,0,0,0|0,0,0]=2 11286 B11R1.28 [13CH3]NCCOc1ccccn1 2230a_106741647558_200025704644 [1,1,0,0,0,0|1,0,0]=3 11287 B11R1.28 [13CH3]NCCOc1cccnc1 2230a_100000754688_200025704644 [1,1,0,0,0,0|1,0,0]=3 11288 B11R1.28 [13CH3]NCCSc1ccccc1 2230a_100000189519_200025704644 [1,1,0,0,0,0|0,0,0]=2 11289 B11R1.28 [13CH3]OC/C=C/c1ccccc1 34a_100000210256_200025704644 [1,1,0,0,0,0|1,0,1]=4 11290 B11R1.28 [13CH3]OCC#Cc1ccccc1 34a_100011217464_200025704644 [1,1,0,0,0,0|1,0,1]=4 11291 B11R1.28 [13CH3]OCC#Cc1ccccc1 7a_100011217464_200025704644 [1,1,0,0,0,0|1,0,1]=4 11292 B11R1.28 [13CH3]OCCCc1ccccc1 34a_100000210828_200025704644 [1,1,0,0,0,0|1,0,0]=3 11293 B11R1.28 [13CH3]OCCCc1ccccc1 7a_100000210828_200025704644 [1,1,0,0,0,0|1,0,0]=3 11294 B11R1.28 [13CH3]OCCCc1ccccn1 34a_100011215068_200025704644 [1,1,0,0,0,0|2,0,0]=4 11295 B11R1.28 [13CH3]OCCCc1cccnc1 34a_100000211284_200025704644 [1,1,0,0,0,0|2,0,0]=4 11296 B11R1.28 [13CH3]OCCCc1ccncc1 34a_100000210659_200025704644 [1,1,0,0,0,0|2,0,0]=4 11297 B11R1.28 [13CH3]OCCNc1ccccc1 34a_100000211345_200025704644 [1,1,0,0,0,0|1,0,0]=3 11298 B11R1.28 [13CH3]OCCNc1ccncc1 34a_200011243140_200025704644 [1,1,0,0,0,0|2,0,0]=4 11299 B11R1.28 [13CH3]OCCOc1ccccc1 34a_100000210260_200025704644 [1,1,0,0,0,0|1,0,0]=3 11300 B11R1.28 [13CH3]OCCOc1ccccc1 7a_100000210260_200025704644 [1,1,0,0,0,0|1,0,0]=3 11301 B11R1.28 [13CH3]OCCSc1ccccc1 7a_100000230494_200025704644 [1,1,0,0,0,0|1,0,0]=3 11302 B11R1.28 [13CH3]OCCSc1ccccn1 7a_100000156319_200025704644 [1,1,0,0,0,0|2,0,0]=4 11303 B11R1.28 [13CH3]SC/C=C/c1ccccc1 62a_100016265936_200025704644 [1,1,0,0,0,0|1,0,1]=4 11304 B11R1.28 [13CH3]SC/C=C/c1ccccc1 62a_200025704644_100016265936 [1,1,0,0,0,0|1,0,1]=4 11305 B11R1.28 [13CH3]SCC#Cc1ccccc1 62a_200025704644_100011352542 [1,1,0,0,0,0|1,0,1]=4 11306 B11R1.28 [13CH3]SCCCc1ccccc1 62a_100000211621_200025704644 [1,1,0,0,0,0|1,0,0]=3 11307 B11R1.28 [13CH3]SCCCc1ccccc1 62a_200025704644_100000211621 [1,1,0,0,0,0|1,0,0]=3 11308 B11R1.28 [13CH3]SCCOc1ccccc1 62a_100000184471_200025704644 [1,1,0,0,0,0|1,0,0]=3 11309 B11R1.28 [13CH3]SCCOc1ccccc1 62a_200025704644_100000184471 [1,1,0,0,0,0|1,0,0]=3 11310 B11R1.28 [13CH3]SCCSc1ccccc1 62a_100000246102_200025704644 [1,1,0,0,0,0|1,0,0]=3 11311 B11R1.28 [13CH3]SCCSc1ccccc1 62a_200025704644_100000246102 [1,1,0,0,0,0|1,0,0]=3 11312 B11R1.28 [13CH3]SCOCc1ccccc1 62a_100000763385_200025704644 [1,1,0,0,0,0|1,0,0]=3 11313 B11R1.28 [13CH3]SCOCc1ccccc1 62a_200025704644_100000763385 [1,1,0,0,0,0|1,0,0]=3 11314 B11R1.28 [13CH3]SCSCc1ccccc1 62a_200011217039_200025704644 [1,1,0,0,0,0|1,0,0]=3 11315 B11R1.28 [13CH3]SCSCc1ccccc1 62a_200025704644_200011217039 [1,1,0,0,0,0|1,0,0]=3 11316 B11R1.40 CC(Cc1ccccc1)O[13CH3] 34a_100000748627_200025704644 [1,1,0,0,0,0|1,0,0]=3 11317 B11R1.40 CC(Cc1ccccc1)O[13CH3] 7a_100000748627_200025704644 [1,1,0,0,0,0|1,0,0]=3 11318 B11R1.40 CC(Cc1ccccc1)S[13CH3] 62a_200011218536_200025704644 [1,1,0,0,0,0|1,0,0]=3 11319 B11R1.40 CC(Cc1ccccc1)S[13CH3] 62a_200025704644_200011218536 [1,1,0,0,0,0|1,0,0]=3 11320 B11R1.40 CC(Cc1ccccn1)N[13CH3] 2230a_100000238496_200025704644 [1,1,0,0,0,0|1,0,0]=3 11321 B11R1.40 CC(Cc1cccnc1)N[13CH3] 2230a_100011207255_200025704644 [1,1,0,0,0,0|1,0,0]=3 11322 B11R1.40 CC(Cc1cnccn1)N[13CH3] 2230a_100011277835_200025704644 [1,1,0,0,0,0|2,0,0]=4 11323 B11R1.40 CCC(=O)Cc1ccccc1 1458a_100000210414_100015291786 [1,1,0,0,0,0|1,0,1]=4 11324 B11R1.40 CCC(C)Nc1ccccc1 34a_100000106764_100011215416 [1,1,0,0,0,0|2,0,0]=4 11325 B11R1.40 CCC(C)Oc1ccccc1 34a_100000210340_100011215416 [1,1,0,0,0,0|2,0,0]=4 11326 B11R1.40 CCC(C)Oc1ccccc1 7a_100000210340_100000758301 [1,1,0,0,0,0|2,0,0]=4 11327 B11R1.40 CCC(C)Sc1ccccc1 62a_100000719477_100000758301 [1,1,0,0,0,0|2,0,0]=4 11328 B11R1.40 CCC(C)Sc1ccccc1 62a_100000758301_100000041952 [1,1,0,0,0,0|2,0,0]=4 11329 B11R1.40 CCN(C)Cc1ccccc1 2230a_100000186898_100000210202 [1,1,0,0,0,0|2,0,0]=4 11330 B11R1.40 CCN(C)Cc1ccccc1 2230a_100000186914_200000210301 [1,1,0,0,0,0|2,0,0]=4 11331 B11R1.40 CCN(C)Cc1ccccc1 2230a_100000225621_100015291786 [1,1,0,0,0,0|2,0,0]=4 11332 B11R1.40 CCN(C)Cc1ccccc1 269982a_100000186898_100000204670 [1,1,0,0,0,0|2,0,0]=4 11333 B11R1.40 CCN(C)Cc1ccccc1 269982a_100000186914_200000210301 [1,1,0,0,0,0|2,0,0]=4 11334 B11R1.40 CCN(C)Cc1ccccc1 269982a_100000225621_100000211182 [1,1,0,0,0,0|2,0,0]=4 11335 B11R1.40 CCN([13CH3])Cc1ccccc1 2230a_100000186914_200025704644 [1,1,0,0,0,0|2,0,0]=4 11336 B11R1.40 CCN([13CH3])Cc1ccccc1 269982a_100000186914_200025704644 [1,1,0,0,0,0|2,0,0]=4 11337 B11R1.40 CNC(=O)C[n+]1ccccc1 11a_106832991635_200000086051 [1,1,0,0,0,0|1,0,1]=4 11338 B11R1.40 CNC(=O)C[n+]1ccccc1 240690a_100102657272_200000086051 [1,1,0,0,0,0|1,0,1]=4 11339 B11R1.40 CNC(=O)C[n+]1ccccc1 527a_100102657272_200000086051 [1,1,0,0,0,0|1,0,1]=4 11340 B11R1.40 CNC(=O)Cc1ccccn1 11a_106832991635_100000233486 [1,1,0,0,0,0|1,0,1]=4 11341 B11R1.40 CNC(=O)Cc1cccnc1 11a_106832991635_100000737805 [1,1,0,0,0,0|1,0,1]=4 11342 B11R1.40 CNC(=O)Cc1cccnc1 240690a_100102657272_100000737805 [1,1,0,0,0,0|1,0,1]=4 11343 B11R1.40 CNC(=O)Cc1cccnc1 527a_100102657272_100000737805 [1,1,0,0,0,0|1,0,1]=4 11344 B11R1.40 CNC(=O)Cc1ccncc1 11a_106832991635_100011201483 [1,1,0,0,0,0|1,0,1]=4 11345 B11R1.40 CNC(=O)Cc1ccncc1 240690a_100102657272_100011201483 [1,1,0,0,0,0|1,0,1]=4 11346 B11R1.40 CNC(=O)Nc1ccccc1 2430a_100000106764_100102657272 [1,1,0,0,0,0|1,0,1]=4 11347 B11R1.40 CNC(C)C[n+]1ccccc1 270004a_106832991635_100000034229 [1,1,0,0,0,0|1,0,0]=3 11348 B11R1.40 CNC(C)Cc1ccccc1 34a_100102657272_200011218536 [1,1,0,0,0,0|0,0,0]=2 11349 B11R1.40 CNC(C)Cc1ccccc1 7a_106832991635_200011218536 [1,1,0,0,0,0|0,0,0]=2 11350 B11R1.40 CNC(C)Cc1ccccn1 2230a_100000238496_200000210301 [1,1,0,0,0,0|1,0,0]=3 11351 B11R1.40 CNC(C)Cc1cccnc1 2230a_100011207255_200000210301 [1,1,0,0,0,0|1,0,0]=3 11352 B11R1.40 CNC(C)Cc1cccnc1 270004a_106832991635_100015187140 [1,1,0,0,0,0|1,0,0]=3 11353 B11R1.40 CNC(C)Cc1ccncc1 270004a_106832991635_100000238508 [1,1,0,0,0,0|1,0,0]=3 11354 B11R1.40 CNC(C)Cc1cnccn1 2230a_100011277835_200000210301 [1,1,0,0,0,0|2,0,0]=4 11355 B11R1.40 CNC(C)Cc1cnccn1 270004a_106832991635_100015184882 [1,1,0,0,0,0|2,0,0]=4 11356 B11R1.40 COC(C)Cc1ccccc1 34a_100000748627_200000210301 [1,1,0,0,0,0|1,0,0]=3 11357 B11R1.40 COC(C)Cc1ccccc1 34a_100138415774_200011218536 [1,1,0,0,0,0|1,0,0]=3 11358 B11R1.40 COC(C)Cc1ccccc1 7a_100000748627_200000210301 [1,1,0,0,0,0|1,0,0]=3 11359 B11R1.40 COC(C)Sc1ccccc1 62a_100000719477_100009879195 [1,1,0,0,0,0|2,0,0]=4 11360 B11R1.40 COC(C)Sc1ccccc1 62a_100009879195_100000041952 [1,1,0,0,0,0|2,0,0]=4 11361 B11R1.40 CSC(C)Cc1ccccc1 62a_200000210301_200011218536 [1,1,0,0,0,0|1,0,0]=3 11362 B11R1.40 CSC(C)Cc1ccccc1 62a_200011218536_200000210301 [1,1,0,0,0,0|1,0,0]=3 11363 B11R1.91 C=C(C)CNc1ccccc1 34a_100000106764_100000748629 [1,1,0,0,0,0|2,0,0]=4 11364 B11R1.91 C=C(C)COc1ccccc1 34a_100000210340_100000748629 [1,1,0,0,0,0|2,0,0]=4 11365 B11R1.91 C=C(C)COc1ccccc1 7a_100000210340_100000748629 [1,1,0,0,0,0|2,0,0]=4 11366 B11R1.91 C=C(C)CSc1ccccc1 62a_100000719477_100000211660 [1,1,0,0,0,0|2,0,0]=4 11367 B11R1.91 C=C(C)CSc1ccccc1 62a_100000748629_100000041952 [1,1,0,0,0,0|2,0,0]=4 11368 B11R1.91 CC(=O)CCc1ccccc1 1458a_100000070787_100000765856 [1,1,0,0,0,0|1,0,0]=3 11369 B11R1.91 CC(=O)CCc1ccccc1 1458a_100000185753_200000210301 [1,1,0,0,0,0|1,0,0]=3 11370 B11R1.91 CC(=O)CCc1ccccn1 1458a_100000070787_100015183660 [1,1,0,0,0,0|2,0,0]=4 11371 B11R1.91 CC(=O)CCc1ccccn1 1458a_100015195070_200000210301 [1,1,0,0,0,0|2,0,0]=4 11372 B11R1.91 CC(=O)CCc1cccnc1 1458a_100000070787_200011713674 [1,1,0,0,0,0|2,0,0]=4 11373 B11R1.91 CC(=O)CCc1cccnc1 1458a_100000198484_200000210301 [1,1,0,0,0,0|2,0,0]=4 11374 B11R1.91 CC(=O)CCc1ccncc1 1458a_100000070787_100000723409 [1,1,0,0,0,0|2,0,0]=4 11375 B11R1.91 CC(=O)CCc1ccncc1 1458a_100011225043_200000210301 [1,1,0,0,0,0|2,0,0]=4 11376 B11R1.91 CC(=O)COc1ccccc1 1458a_100000186222_200000210301 [1,1,0,0,0,0|2,0,0]=4 11377 B11R1.91 CC(=O)CSc1ccccc1 1458a_100000211596_200000210301 [1,1,0,0,0,0|2,0,0]=4 11378 B11R1.91 CC(=O)NCc1ccccc1 11a_100015324214_100015343762 [1,1,0,0,0,0|2,0,0]=4 11379 B11R1.91 CC(=O)NCc1ccccc1 1626a_100015324214_100015343762 [1,1,0,0,0,0|2,0,0]=4 11380 B11R1.91 CC(=O)NCc1ccccc1 240690a_100015324214_100015343762 [1,1,0,0,0,0|2,0,0]=4 11381 B11R1.91 CC(=O)NCc1ccccc1 527a_100015324214_100103153847 [1,1,0,0,0,0|2,0,0]=4 11382 B11R1.91 CC(C)CNc1ccccc1 34a_100000106764_100000210624 [1,1,0,0,0,0|2,0,0]=4 11383 B11R1.91 CC(C)COc1ccccc1 34a_100000210340_100000210624 [1,1,0,0,0,0|2,0,0]=4 11384 B11R1.91 CC(C)COc1ccccc1 7a_100000210340_100000210760 [1,1,0,0,0,0|2,0,0]=4 11385 B11R1.91 CC(C)CSc1ccccc1 62a_100000210624_100000041952 [1,1,0,0,0,0|2,0,0]=4 11386 B11R1.91 CC(C)CSc1ccccc1 62a_100000719477_100000210760 [1,1,0,0,0,0|2,0,0]=4 11387 B11R1.91 CC(C)NCc1ccccc1 207a_100138425928_100015611070 [1,1,0,0,0,0|2,0,0]=4 11388 B11R1.91 CC(C)NCc1ccccc1 2230a_100015324214_100000210206 [1,1,0,0,0,0|2,0,0]=4 11389 B11R1.91 CC(C)NCc1ccccc1 2230a_100138425928_100015291786 [1,1,0,0,0,0|2,0,0]=4 11390 B11R1.91 CC(C)NCc1ccccc1 34a_100015324214_100000210206 [1,1,0,0,0,0|2,0,0]=4 11391 B11R1.91 CC(C)NCc1ccccc1 34a_100138425928_100015291786 [1,1,0,0,0,0|2,0,0]=4 11392 B11R1.91 CC(C)OCc1ccccc1 34a_100000210790_100000210206 [1,1,0,0,0,0|2,0,0]=4 11393 B11R1.91 CC(C)OCc1ccccc1 34a_100000212225_100015291786 [1,1,0,0,0,0|2,0,0]=4 11394 B11R1.91 CC(C)OCc1ccccc1 7a_100000210790_100000210206 [1,1,0,0,0,0|2,0,0]=4 11395 B11R1.91 CC(C)SCc1ccccc1 62a_100000210206_100015291786 [1,1,0,0,0,0|2,0,0]=4 11396 B11R1.91 CC(C)SCc1ccccc1 62a_100000211182_100000210206 [1,1,0,0,0,0|2,0,0]=4 11397 B11R1.91 CC(O)CNc1ccccc1 34a_100000106764_100011218427 [1,1,0,0,0,0|2,0,0]=4 11398 B11R1.91 CC(O)COc1ccccc1 34a_100000210340_100011218427 [1,1,0,0,0,0|2,0,0]=4 11399 B11R1.91 CC(O)COc1ccccc1 7a_100000210340_100011218427 [1,1,0,0,0,0|2,0,0]=4 11400 B11R1.91 CC(O)CSc1ccccc1 62a_100000719477_100011218427 [1,1,0,0,0,0|2,0,0]=4 11401 B11R1.91 CC(O)CSc1ccccc1 62a_100011218427_100000041952 [1,1,0,0,0,0|2,0,0]=4 11402 B11R1.91 CN(C)CCc1ccccc1 2230a_100000207497_200000210301 [1,1,0,0,0,0|0,0,0]=2 11403 B11R1.91 CN(C)CCc1ccccc1 2230a_100102631434_100000765856 [1,1,0,0,0,0|0,0,0]=2 11404 B11R1.91 CN(C)CCc1ccccc1 269982a_100000207497_200000210301 [1,1,0,0,0,0|0,0,0]=2 11405 B11R1.91 CN(C)CCc1ccccc1 269982a_100102631434_100000765856 [1,1,0,0,0,0|0,0,0]=2 11406 B11R1.91 CN(C)CCc1ccccn1 2230a_100000737206_200000210301 [1,1,0,0,0,0|1,0,0]=3 11407 B11R1.91 CN(C)CCc1ccccn1 2230a_100102631434_100015183660 [1,1,0,0,0,0|1,0,0]=3 11408 B11R1.91 CN(C)CCc1ccccn1 269982a_100000737206_200000210301 [1,1,0,0,0,0|1,0,0]=3 11409 B11R1.91 CN(C)CCc1ccccn1 269982a_100102631434_100015183660 [1,1,0,0,0,0|1,0,0]=3 11410 B11R1.91 CN(C)CCc1cccnc1 2230a_100000763209_200000210301 [1,1,0,0,0,0|1,0,0]=3 11411 B11R1.91 CN(C)CCc1cccnc1 2230a_100102631434_200011713674 [1,1,0,0,0,0|1,0,0]=3 11412 B11R1.91 CN(C)CCc1cccnc1 269982a_100000763209_200000210301 [1,1,0,0,0,0|1,0,0]=3 11413 B11R1.91 CN(C)CCc1cccnc1 269982a_100102631434_200011713674 [1,1,0,0,0,0|1,0,0]=3 11414 B11R1.91 CN(C)CCc1ccncc1 2230a_100000742850_200000210301 [1,1,0,0,0,0|1,0,0]=3 11415 B11R1.91 CN(C)CCc1ccncc1 2230a_100102631434_100000723409 [1,1,0,0,0,0|1,0,0]=3 11416 B11R1.91 CN(C)CCc1ccncc1 269982a_100000742850_200000210301 [1,1,0,0,0,0|1,0,0]=3 11417 B11R1.91 CN(C)CCc1ccncc1 269982a_100102631434_100000723409 [1,1,0,0,0,0|1,0,0]=3 11418 B11R1.91 CN(C)CSc1ccccc1 2230a_100102631434_100011218342 [1,1,0,0,0,0|1,0,0]=3 11419 B11R1.91 CN(C)CSc1ccccc1 269982a_100102631434_100011218342 [1,1,0,0,0,0|1,0,0]=3 11420 B11R1.91 CN([13CH3])CCc1ccccc1 2230a_100000207497_200025704644 [1,1,0,0,0,0|0,0,0]=2 11421 B11R1.91 CN([13CH3])CCc1ccccc1 269982a_100000207497_200025704644 [1,1,0,0,0,0|0,0,0]=2 11422 B11R1.91 CN([13CH3])CCc1ccccn1 2230a_100000737206_200025704644 [1,1,0,0,0,0|1,0,0]=3 11423 B11R1.91 CN([13CH3])CCc1ccccn1 269982a_100000737206_200025704644 [1,1,0,0,0,0|1,0,0]=3 11424 B11R1.91 CN([13CH3])CCc1cccnc1 2230a_100000763209_200025704644 [1,1,0,0,0,0|1,0,0]=3 11425 B11R1.91 CN([13CH3])CCc1cccnc1 269982a_100000763209_200025704644 [1,1,0,0,0,0|1,0,0]=3 11426 B11R1.91 CN([13CH3])CCc1ccncc1 2230a_100000742850_200025704644 [1,1,0,0,0,0|1,0,0]=3 11427 B11R1.91 CN([13CH3])CCc1ccncc1 269982a_100000742850_200025704644 [1,1,0,0,0,0|1,0,0]=3 11428 B11R1.91 C[C@@H](O)CNc1ccccc1 34a_100000106764_100009817552 [1,1,0,0,0,0|2,0,0]=4 11429 B11R1.91 C[C@@H](O)COc1ccccc1 34a_100000210340_100009817552 [1,1,0,0,0,0|2,0,0]=4 11430 B11R1.91 C[C@@H](O)COc1ccccc1 7a_100000210340_100009817552 [1,1,0,0,0,0|2,0,0]=4 11431 B11R1.91 C[C@@H](O)CSc1ccccc1 62a_100000719477_100009817552 [1,1,0,0,0,0|2,0,0]=4 11432 B11R1.91 C[C@@H](O)CSc1ccccc1 62a_100009817552_100000041952 [1,1,0,0,0,0|2,0,0]=4 11433 B11R1.91 [13CH3]C(=O)CCc1ccccc1 1458a_100000185753_200025704644 [1,1,0,0,0,0|1,0,0]=3 11434 B11R1.91 [13CH3]C(=O)CCc1ccccn1 1458a_100015195070_200025704644 [1,1,0,0,0,0|2,0,0]=4 11435 B11R1.91 [13CH3]C(=O)CCc1cccnc1 1458a_100000198484_200025704644 [1,1,0,0,0,0|2,0,0]=4 11436 B11R1.91 [13CH3]C(=O)CCc1ccncc1 1458a_100011225043_200025704644 [1,1,0,0,0,0|2,0,0]=4 11437 B11R1.91 [13CH3]C(=O)COc1ccccc1 1458a_100000186222_200025704644 [1,1,0,0,0,0|2,0,0]=4 11438 B11R1.91 [13CH3]C(=O)CSc1ccccc1 1458a_100000211596_200025704644 [1,1,0,0,0,0|2,0,0]=4 11439 B11R1.180 CCCNCc1ccsc1Cl 207a_100020643023_100000089901 [0,1,0,0,1,0|2,0,0]=4 11440 B11R1.180 CCCNCc1ccsc1Cl 270004a_100020643023_100000089901 [0,1,0,0,1,0|2,0,0]=4 11441 B11R1.180 CCCNCc1sccc1Cl 207a_100020643023_100000722334 [0,1,0,0,1,0|2,0,0]=4 11442 B11R1.180 CCCNCc1sccc1Cl 2230a_100011934584_100000210303 [0,1,0,0,1,0|2,0,0]=4 11443 B11R1.180 CCCNCc1sccc1Cl 270004a_100020643023_100000722334 [0,1,0,0,1,0|2,0,0]=4 11444 B11R1.180 CCCNCc1sccc1Cl 34a_100011934584_100000210303 [0,1,0,0,1,0|2,0,0]=4 11445 B11R1.180 CCCOCc1ccsc1Cl 34a_100000210258_100010167017 [0,1,0,0,1,0|2,0,0]=4 11446 B11R1.180 CCCOCc1sccc1Cl 34a_100000722387_100000210303 [0,1,0,0,1,0|2,0,0]=4 11447 B11R1.180 CCCOCc1sccc1Cl 7a_100000722387_100000210303 [0,1,0,0,1,0|2,0,0]=4 11448 B11R1.180 CCCSCc1ccsc1Cl 62a_100000210303_100010167017 [0,1,0,0,1,0|2,0,0]=4 11449 B11R1.180 CCCSCc1ccsc1Cl 62a_100010167017_100000210303 [0,1,0,0,1,0|2,0,0]=4 11450 B11R1.180 CCNCCc1cccn1C 2230a_100011251756_100000210202 [0,1,0,0,1,0|2,0,0]=4 11451 B11R1.180 CCNCCc1cccn1C 34a_100011251756_100000210202 [0,1,0,0,1,0|2,0,0]=4 11452 B11R1.180 COCNCc1sccc1Cl 2230a_100011934584_100000766300 [0,1,0,0,1,0|2,0,0]=4 11453 B11R1.180 COCSCc1ccsc1Cl 62a_100000766300_100010167017 [0,1,0,0,1,0|2,0,0]=4 11454 B11R1.180 COCSCc1ccsc1Cl 62a_100010167017_100000766300 [0,1,0,0,1,0|2,0,0]=4 11455 B11R1.180 CSCNCc1sccc1Cl 2230a_100011934584_100011218213 [0,1,0,0,1,0|2,0,0]=4 11456 B11R1.180 CSCNCc1sccc1Cl 34a_100011934584_100011218213 [0,1,0,0,1,0|2,0,0]=4 11457 B11R1.180 CSCOCc1sccc1Cl 34a_100000722387_100011218213 [0,1,0,0,1,0|2,0,0]=4 11458 B11R1.180 CSCSCc1ccsc1Cl 62a_100010167017_100011218213 [0,1,0,0,1,0|2,0,0]=4 11459 B11R1.180 CSCSCc1ccsc1Cl 62a_100011218213_100010167017 [0,1,0,0,1,0|2,0,0]=4 11460 B11R1.180 Cn1cccc1CCNCF 34a_100011251756_100015361967 [0,1,0,0,1,0|2,0,0]=4 11461 B11R1.230 CCCCc1cc(sc1Cl)Cl 271570a_100020621405_100010244177 [0,1,0,0,1,0|2,0,0]=4 11462 B13R1.34 CCCCOc1cccccc1=O 34a_100000036025_100000210210 [0,1,0,0,0,1|2,0,0]=4 11463 B13R1.34 CCCCOc1cccccc1=O 7a_100000036025_100000210211 [0,1,0,0,0,1|2,0,0]=4 11464 B13R1.34 COCCOc1cccccc1=O 34a_100000036025_100011201679 [0,1,0,0,0,1|2,0,0]=4 11465 B13R1.34 COCCOc1cccccc1=O 7a_100000036025_100000233755 [0,1,0,0,0,1|2,0,0]=4 11466 B13R1.34 CSCCOc1cccccc1=O 34a_100000036025_100000212216 [0,1,0,0,0,1|2,0,0]=4 11467 B13R1.34 CSCCOc1cccccc1=O 7a_100000036025_100000212216 [0,1,0,0,0,1|2,0,0]=4 11468 B13R1.12 CCCC(=O)c1cccc(c1Cl)Br 1458a_100000760540_100000210303 [0,2,0,0,0,0|1,0,1]=4 11469 B13R1.12 CCCC(=O)c1cccc(c1Cl)C 1458a_100000693142_100000210303 [0,2,0,0,0,0|1,0,1]=4 11470 B13R1.12 CCCC(=O)c1cccc(c1Cl)Cl 1458a_100000183631_100000210303 [0,2,0,0,0,0|1,0,1]=4 11471 B13R1.12 CCCC(=O)c1cccc(c1Cl)F 1458a_100000759904_100000210303 [0,2,0,0,0,0|1,0,1]=4 11472 B13R1.12 CCCC(=O)c1cccc(c1Cl)I 1458a_100010176783_100000210303 [0,2,0,0,0,0|1,0,1]=4 11473 B13R1.12 CCCC(=O)c1cccc(c1Cl)O 1458a_100000092362_100000210303 [0,2,0,0,0,0|1,0,1]=4 11474 B13R1.12 CCCN(C)c1cccc(c1Cl)Cl 2230a_100000742713_100000210303 [0,2,0,0,0,0|2,0,0]=4 11475 B13R1.12 CCCN(C)c1cccc(c1Cl)Cl 269982a_100000742713_100000210303 [0,2,0,0,0,0|2,0,0]=4 11476 B13R1.12 CCCN(C)c1cccc(c1Cl)Cl 34a_100000742713_100000210303 [0,2,0,0,0,0|2,0,0]=4 11477 B13R1.12 CCNC(C)c1cccc(c1Cl)Br 269862a_100015525214_100012349481 [0,2,0,0,0,0|2,0,0]=4 11478 B13R1.12 CCNC(C)c1cccc(c1Cl)Cl 2230a_100015335525_100000210202 [0,2,0,0,0,0|2,0,0]=4 11479 B13R1.12 CCNC(C)c1cccc(c1Cl)Cl 269862a_100015525214_100000756844 [0,2,0,0,0,0|2,0,0]=4 11480 B13R1.12 CCNC(C)c1cccc(c1Cl)Cl 34a_100015335525_100000210202 [0,2,0,0,0,0|2,0,0]=4 11481 B13R1.12 CCNC(C)c1cccc(c1Cl)F 2230a_100103153465_100000210202 [0,2,0,0,0,0|2,0,0]=4 11482 B13R1.12 CCNC(C)c1cccc(c1Cl)F 269862a_100015525214_100000699253 [0,2,0,0,0,0|2,0,0]=4 11483 B13R1.12 CCNC(C)c1cccc(c1Cl)F 34a_100103153465_100000210202 [0,2,0,0,0,0|2,0,0]=4 11484 B13R1.12 CNCC(=O)c1cccc(c1C)I 34a_100102657272_100160470822 [0,2,0,0,0,0|1,0,1]=4 11485 B13R1.12 CNCC(=O)c1cccc(c1C)I 7a_106832991635_100160470822 [0,2,0,0,0,0|1,0,1]=4 11486 B13R1.12 CNCC(=O)c1cccc(c1F)Br 2230a_106832991635_100012356374 [0,2,0,0,0,0|0,1,1]=4 11487 B13R1.12 CNCC(=O)c1cccc(c1F)Br 34a_100102657272_100012356374 [0,2,0,0,0,0|0,1,1]=4 11488 B13R1.12 CNCC(=O)c1cccc(c1F)Br 7a_106832991635_100012356374 [0,2,0,0,0,0|0,1,1]=4 11489 B13R1.12 CNCC(=O)c1cccc(c1F)Cl 2230a_106832991635_200012351890 [0,2,0,0,0,0|0,1,1]=4 11490 B13R1.12 CNCC(=O)c1cccc(c1F)Cl 34a_100102657272_200012351890 [0,2,0,0,0,0|0,1,1]=4 11491 B13R1.12 CNCC(=O)c1cccc(c1F)Cl 7a_106832991635_200012351890 [0,2,0,0,0,0|0,1,1]=4 11492 B13R1.12 CNNC(=O)c1cccc(c1Cl)Br 22a_100016993582_100000760540 [0,2,0,0,0,0|1,0,1]=4 11493 B13R1.12 CNNC(=O)c1cccc(c1Cl)C 22a_100016993582_100000693142 [0,2,0,0,0,0|1,0,1]=4 11494 B13R1.12 CNNC(=O)c1cccc(c1Cl)Cl 22a_100016993582_100000183631 [0,2,0,0,0,0|1,0,1]=4 11495 B13R1.12 CNNC(=O)c1cccc(c1Cl)F 22a_100016993582_100000759904 [0,2,0,0,0,0|1,0,1]=4 11496 B13R1.12 CNNC(=O)c1cccc(c1Cl)I 22a_100016993582_100010176783 [0,2,0,0,0,0|1,0,1]=4 11497 B13R1.12 CNNC(=O)c1cccc(c1Cl)O 22a_100016993582_100000092362 [0,2,0,0,0,0|1,0,1]=4 11498 B13R1.12 COCN(C)c1cccc(c1Cl)Cl 2230a_100000742713_100000766300 [0,2,0,0,0,0|2,0,0]=4 11499 B13R1.12 COCN(C)c1cccc(c1Cl)Cl 269982a_100000742713_100000766300 [0,2,0,0,0,0|2,0,0]=4 11500 B13R1.12 CSCN(C)c1cccc(c1Cl)Cl 2230a_100000742713_100011218213 [0,2,0,0,0,0|2,0,0]=4 11501 B13R1.12 CSCN(C)c1cccc(c1Cl)Cl 269982a_100000742713_100011218213 [0,2,0,0,0,0|2,0,0]=4 11502 B13R1.12 CSCN(C)c1cccc(c1Cl)Cl 34a_100000742713_100011218213 [0,2,0,0,0,0|2,0,0]=4 11503 B13R1.16 C#CCCNc1cccc(c1Cl)Br 34a_100000687075_100000688953 [0,2,0,0,0,0|1,0,1]=4 11504 B13R1.16 C#CCCNc1cccc(c1Cl)C 34a_100000765562_100000688953 [0,2,0,0,0,0|1,0,1]=4 11505 B13R1.16 C#CCCNc1cccc(c1Cl)C 7a_100000765562_100000688953 [0,2,0,0,0,0|1,0,1]=4 11506 B13R1.16 C#CCCNc1cccc(c1Cl)Cl 34a_100000185733_100000688953 [0,2,0,0,0,0|1,0,1]=4 11507 B13R1.16 C#CCCNc1cccc(c1Cl)F 34a_100000692321_100000688953 [0,2,0,0,0,0|1,0,1]=4 11508 B13R1.16 C#CCCNc1cccc(c1Cl)O 34a_100012002038_100000688953 [0,2,0,0,0,0|1,0,1]=4 11509 B13R1.16 C#CCCNc1cccc(c1Cl)O 7a_100012002038_100000688953 [0,2,0,0,0,0|1,0,1]=4 11510 B13R1.16 C#CCCOc1cccc(c1Cl)Br 34a_100010187913_100000688953 [0,2,0,0,0,0|1,0,1]=4 11511 B13R1.16 C#CCCOc1cccc(c1Cl)Br 7a_100010187913_100000688953 [0,2,0,0,0,0|1,0,1]=4 11512 B13R1.16 C#CCCOc1cccc(c1Cl)C 34a_100000695629_100000688953 [0,2,0,0,0,0|1,0,1]=4 11513 B13R1.16 C#CCCOc1cccc(c1Cl)C 7a_100000695629_100000688953 [0,2,0,0,0,0|1,0,1]=4 11514 B13R1.16 C#CCCOc1cccc(c1Cl)Cl 34a_100000211076_100000688953 [0,2,0,0,0,0|1,0,1]=4 11515 B13R1.16 C#CCCOc1cccc(c1Cl)Cl 7a_100000211076_100000688953 [0,2,0,0,0,0|1,0,1]=4 11516 B13R1.16 C#CCCOc1cccc(c1Cl)F 34a_100000087408_100000688953 [0,2,0,0,0,0|1,0,1]=4 11517 B13R1.16 C#CCCOc1cccc(c1Cl)F 7a_100000087408_100000688953 [0,2,0,0,0,0|1,0,1]=4 11518 B13R1.16 C#CCCOc1cccc(c1Cl)I 34a_100000049636_100000688953 [0,2,0,0,0,0|1,0,1]=4 11519 B13R1.16 C#CCCOc1cccc(c1Cl)I 7a_100000049636_100000688953 [0,2,0,0,0,0|1,0,1]=4 11520 B13R1.16 C#CCCOc1cccc(c1Cl)N 34a_100012002038_100000688953 [0,2,0,0,0,0|1,0,1]=4 11521 B13R1.16 C#CCCOc1cccc(c1Cl)N 7a_100012002038_100000688953 [0,2,0,0,0,0|1,0,1]=4 11522 B13R1.16 C#CCCSc1cccc(c1Cl)Br 62a_100000688953_100010142854 [0,2,0,0,0,0|1,0,1]=4 11523 B13R1.16 C#CCCSc1cccc(c1Cl)Br 62a_100010142854_100000688953 [0,2,0,0,0,0|1,0,1]=4 11524 B13R1.16 C#CCCSc1cccc(c1Cl)C 62a_100000688953_200012352035 [0,2,0,0,0,0|1,0,1]=4 11525 B13R1.16 C#CCCSc1cccc(c1Cl)C 62a_200012352035_100000688953 [0,2,0,0,0,0|1,0,1]=4 11526 B13R1.16 C#CCCSc1cccc(c1Cl)Cl 62a_100000688953_100011215384 [0,2,0,0,0,0|1,0,1]=4 11527 B13R1.16 C#CCCSc1cccc(c1Cl)Cl 62a_100011215384_100000688953 [0,2,0,0,0,0|1,0,1]=4 11528 B13R1.16 C#CCCSc1cccc(c1Cl)F 62a_100000688953_200010234923 [0,2,0,0,0,0|1,0,1]=4 11529 B13R1.16 C#CCCSc1cccc(c1Cl)F 62a_200010234923_100000688953 [0,2,0,0,0,0|1,0,1]=4 11530 B13R1.16 C#CCCSc1cccc(c1Cl)O 62a_100000688953_100000049636 [0,2,0,0,0,0|1,0,1]=4 11531 B13R1.16 C#CCNCc1cccc(c1Cl)Br 34a_100000212058_100012349491 [0,2,0,0,0,0|1,0,1]=4 11532 B13R1.16 C#CCNCc1cccc(c1Cl)C 2230a_100025705714_100000038162 [0,2,0,0,0,0|1,0,1]=4 11533 B13R1.16 C#CCNCc1cccc(c1Cl)C 34a_100025705714_100000184674 [0,2,0,0,0,0|1,0,1]=4 11534 B13R1.16 C#CCNCc1cccc(c1Cl)Cl 2230a_100011211633_100000038162 [0,2,0,0,0,0|1,0,1]=4 11535 B13R1.16 C#CCNCc1cccc(c1Cl)Cl 34a_100000212058_100000723366 [0,2,0,0,0,0|1,0,1]=4 11536 B13R1.16 C#CCNCc1cccc(c1Cl)Cl 34a_100011211633_100000184674 [0,2,0,0,0,0|1,0,1]=4 11537 B13R1.16 C#CCNCc1cccc(c1Cl)F 2230a_100012001614_100000038162 [0,2,0,0,0,0|1,0,1]=4 11538 B13R1.16 C#CCNCc1cccc(c1Cl)F 34a_100000212058_100000696688 [0,2,0,0,0,0|1,0,1]=4 11539 B13R1.16 C#CCNCc1cccc(c1Cl)F 34a_100012001614_100000184674 [0,2,0,0,0,0|1,0,1]=4 11540 B13R1.16 C#CCOCc1cccc(c1Cl)Br 34a_100000210247_100012349491 [0,2,0,0,0,0|1,0,1]=4 11541 B13R1.16 C#CCOCc1cccc(c1Cl)Br 34a_100012351182_100000184674 [0,2,0,0,0,0|1,0,1]=4 11542 B13R1.16 C#CCOCc1cccc(c1Cl)Br 7a_100012351182_100000038162 [0,2,0,0,0,0|1,0,1]=4 11543 B13R1.16 C#CCOCc1cccc(c1Cl)C 34a_100000710031_100000184674 [0,2,0,0,0,0|1,0,1]=4 11544 B13R1.16 C#CCOCc1cccc(c1Cl)C 7a_100000710031_100000038162 [0,2,0,0,0,0|1,0,1]=4 11545 B13R1.16 C#CCOCc1cccc(c1Cl)Cl 34a_100000210247_100000723366 [0,2,0,0,0,0|1,0,1]=4 11546 B13R1.16 C#CCOCc1cccc(c1Cl)Cl 34a_100000720469_100000184674 [0,2,0,0,0,0|1,0,1]=4 11547 B13R1.16 C#CCOCc1cccc(c1Cl)Cl 7a_100000720469_100000038162 [0,2,0,0,0,0|1,0,1]=4 11548 B13R1.16 C#CCOCc1cccc(c1Cl)F 34a_100000210247_100000696688 [0,2,0,0,0,0|1,0,1]=4 11549 B13R1.16 C#CCOCc1cccc(c1Cl)F 34a_100000696319_100000184674 [0,2,0,0,0,0|1,0,1]=4 11550 B13R1.16 C#CCOCc1cccc(c1Cl)F 7a_100000696319_100000038162 [0,2,0,0,0,0|1,0,1]=4 11551 B13R1.16 C#CCSCc1cccc(c1Cl)Br 62a_100000038162_100012349491 [0,2,0,0,0,0|1,0,1]=4 11552 B13R1.16 C#CCSCc1cccc(c1Cl)Cl 62a_100000038162_100000723366 [0,2,0,0,0,0|1,0,1]=4 11553 B13R1.16 C#CCSCc1cccc(c1Cl)F 62a_100000038162_100000696688 [0,2,0,0,0,0|1,0,1]=4 11554 B13R1.16 C/C=C/CNc1cccc(c1Cl)Br 34a_100000687075_100102629194 [0,2,0,0,0,0|1,0,1]=4 11555 B13R1.16 C/C=C/CNc1cccc(c1Cl)C 34a_100000765562_100102629194 [0,2,0,0,0,0|1,0,1]=4 11556 B13R1.16 C/C=C/CNc1cccc(c1Cl)C 7a_100000765562_100102629194 [0,2,0,0,0,0|1,0,1]=4 11557 B13R1.16 C/C=C/CNc1cccc(c1Cl)Cl 34a_100000185733_100102629194 [0,2,0,0,0,0|1,0,1]=4 11558 B13R1.16 C/C=C/CNc1cccc(c1Cl)F 34a_100000692321_100102629194 [0,2,0,0,0,0|1,0,1]=4 11559 B13R1.16 C/C=C/CNc1cccc(c1Cl)O 34a_100012002038_100102629194 [0,2,0,0,0,0|1,0,1]=4 11560 B13R1.16 C/C=C/CNc1cccc(c1Cl)O 7a_100012002038_100102629194 [0,2,0,0,0,0|1,0,1]=4 11561 B13R1.16 C/C=C/COc1cccc(c1Cl)Br 34a_100010187913_100102629194 [0,2,0,0,0,0|1,0,1]=4 11562 B13R1.16 C/C=C/COc1cccc(c1Cl)Br 7a_100010187913_100102629194 [0,2,0,0,0,0|1,0,1]=4 11563 B13R1.16 C/C=C/COc1cccc(c1Cl)C 34a_100000695629_100102629194 [0,2,0,0,0,0|1,0,1]=4 11564 B13R1.16 C/C=C/COc1cccc(c1Cl)C 7a_100000695629_100102629194 [0,2,0,0,0,0|1,0,1]=4 11565 B13R1.16 C/C=C/COc1cccc(c1Cl)Cl 34a_100000211076_100102629194 [0,2,0,0,0,0|1,0,1]=4 11566 B13R1.16 C/C=C/COc1cccc(c1Cl)Cl 7a_100000211076_100102629194 [0,2,0,0,0,0|1,0,1]=4 11567 B13R1.16 C/C=C/COc1cccc(c1Cl)F 34a_100000087408_100102629194 [0,2,0,0,0,0|1,0,1]=4 11568 B13R1.16 C/C=C/COc1cccc(c1Cl)F 7a_100000087408_100102629194 [0,2,0,0,0,0|1,0,1]=4 11569 B13R1.16 C/C=C/COc1cccc(c1Cl)I 34a_100000049636_100102629194 [0,2,0,0,0,0|1,0,1]=4 11570 B13R1.16 C/C=C/COc1cccc(c1Cl)I 7a_100000049636_100102629194 [0,2,0,0,0,0|1,0,1]=4 11571 B13R1.16 C/C=C/COc1cccc(c1Cl)N 34a_100012002038_100102629194 [0,2,0,0,0,0|1,0,1]=4 11572 B13R1.16 C/C=C/COc1cccc(c1Cl)N 7a_100012002038_100102629194 [0,2,0,0,0,0|1,0,1]=4 11573 B13R1.16 C/C=C/CSc1cccc(c1Cl)Br 62a_100010142854_100102629194 [0,2,0,0,0,0|1,0,1]=4 11574 B13R1.16 C/C=C/CSc1cccc(c1Cl)Br 62a_100102629194_100010142854 [0,2,0,0,0,0|1,0,1]=4 11575 B13R1.16 C/C=C/CSc1cccc(c1Cl)C 62a_100102629194_200012352035 [0,2,0,0,0,0|1,0,1]=4 11576 B13R1.16 C/C=C/CSc1cccc(c1Cl)C 62a_200012352035_100102629194 [0,2,0,0,0,0|1,0,1]=4 11577 B13R1.16 C/C=C/CSc1cccc(c1Cl)Cl 62a_100011215384_100102629194 [0,2,0,0,0,0|1,0,1]=4 11578 B13R1.16 C/C=C/CSc1cccc(c1Cl)Cl 62a_100102629194_100011215384 [0,2,0,0,0,0|1,0,1]=4 11579 B13R1.16 C/C=C/CSc1cccc(c1Cl)F 62a_100102629194_200010234923 [0,2,0,0,0,0|1,0,1]=4 11580 B13R1.16 C/C=C/CSc1cccc(c1Cl)F 62a_200010234923_100102629194 [0,2,0,0,0,0|1,0,1]=4 11581 B13R1.16 C/C=C/CSc1cccc(c1Cl)O 62a_100102629194_100000049636 [0,2,0,0,0,0|1,0,1]=4 11582 B13R1.16 C=CCCNc1cccc(c1Cl)Br 34a_100000687075_100000754431 [0,2,0,0,0,0|1,0,1]=4 11583 B13R1.16 C=CCCNc1cccc(c1Cl)C 34a_100000765562_100000754431 [0,2,0,0,0,0|1,0,1]=4 11584 B13R1.16 C=CCCNc1cccc(c1Cl)C 7a_100000765562_100000754431 [0,2,0,0,0,0|1,0,1]=4 11585 B13R1.16 C=CCCNc1cccc(c1Cl)Cl 34a_100000185733_100000754431 [0,2,0,0,0,0|1,0,1]=4 11586 B13R1.16 C=CCCNc1cccc(c1Cl)F 34a_100000692321_100000754431 [0,2,0,0,0,0|1,0,1]=4 11587 B13R1.16 C=CCCNc1cccc(c1Cl)O 34a_100012002038_100000754431 [0,2,0,0,0,0|1,0,1]=4 11588 B13R1.16 C=CCCNc1cccc(c1Cl)O 7a_100012002038_100000754431 [0,2,0,0,0,0|1,0,1]=4 11589 B13R1.16 C=CCCOc1cccc(c1Cl)Br 34a_100010187913_100000754431 [0,2,0,0,0,0|1,0,1]=4 11590 B13R1.16 C=CCCOc1cccc(c1Cl)Br 7a_100010187913_100000754431 [0,2,0,0,0,0|1,0,1]=4 11591 B13R1.16 C=CCCOc1cccc(c1Cl)C 34a_100000695629_100000754431 [0,2,0,0,0,0|1,0,1]=4 11592 B13R1.16 C=CCCOc1cccc(c1Cl)C 7a_100000695629_100000754431 [0,2,0,0,0,0|1,0,1]=4 11593 B13R1.16 C=CCCOc1cccc(c1Cl)Cl 34a_100000211076_100000754431 [0,2,0,0,0,0|1,0,1]=4 11594 B13R1.16 C=CCCOc1cccc(c1Cl)Cl 7a_100000211076_100000754431 [0,2,0,0,0,0|1,0,1]=4 11595 B13R1.16 C=CCCOc1cccc(c1Cl)F 34a_100000087408_100000754431 [0,2,0,0,0,0|1,0,1]=4 11596 B13R1.16 C=CCCOc1cccc(c1Cl)F 7a_100000087408_100000754431 [0,2,0,0,0,0|1,0,1]=4 11597 B13R1.16 C=CCCOc1cccc(c1Cl)I 34a_100000049636_100000754431 [0,2,0,0,0,0|1,0,1]=4 11598 B13R1.16 C=CCCOc1cccc(c1Cl)I 7a_100000049636_100000754431 [0,2,0,0,0,0|1,0,1]=4 11599 B13R1.16 C=CCCOc1cccc(c1Cl)N 34a_100012002038_100000754431 [0,2,0,0,0,0|1,0,1]=4 11600 B13R1.16 C=CCCOc1cccc(c1Cl)N 7a_100012002038_100000754431 [0,2,0,0,0,0|1,0,1]=4 11601 B13R1.16 C=CCCSc1cccc(c1Cl)Br 62a_100000754431_100010142854 [0,2,0,0,0,0|1,0,1]=4 11602 B13R1.16 C=CCCSc1cccc(c1Cl)Br 62a_100010142854_100000754431 [0,2,0,0,0,0|1,0,1]=4 11603 B13R1.16 C=CCCSc1cccc(c1Cl)C 62a_100000754431_200012352035 [0,2,0,0,0,0|1,0,1]=4 11604 B13R1.16 C=CCCSc1cccc(c1Cl)C 62a_200012352035_100000754431 [0,2,0,0,0,0|1,0,1]=4 11605 B13R1.16 C=CCCSc1cccc(c1Cl)Cl 62a_100000754431_100011215384 [0,2,0,0,0,0|1,0,1]=4 11606 B13R1.16 C=CCCSc1cccc(c1Cl)Cl 62a_100011215384_100000754431 [0,2,0,0,0,0|1,0,1]=4 11607 B13R1.16 C=CCCSc1cccc(c1Cl)F 62a_100000754431_200010234923 [0,2,0,0,0,0|1,0,1]=4 11608 B13R1.16 C=CCCSc1cccc(c1Cl)F 62a_200010234923_100000754431 [0,2,0,0,0,0|1,0,1]=4 11609 B13R1.16 C=CCCSc1cccc(c1Cl)O 62a_100000754431_100000049636 [0,2,0,0,0,0|1,0,1]=4 11610 B13R1.16 C=CCNCc1cccc(c1Cl)Br 2230a_100020586998_100012349491 [0,2,0,0,0,0|1,0,1]=4 11611 B13R1.16 C=CCNCc1cccc(c1Cl)Br 270004a_100020586998_100012362481 [0,2,0,0,0,0|1,0,1]=4 11612 B13R1.16 C=CCNCc1cccc(c1Cl)C 2230a_100025705714_100000210623 [0,2,0,0,0,0|1,0,1]=4 11613 B13R1.16 C=CCNCc1cccc(c1Cl)C 270004a_100020586998_100012017286 [0,2,0,0,0,0|1,0,1]=4 11614 B13R1.16 C=CCNCc1cccc(c1Cl)C 34a_100025705714_100015514636 [0,2,0,0,0,0|1,0,1]=4 11615 B13R1.16 C=CCNCc1cccc(c1Cl)Cl 2230a_100011211633_100000210623 [0,2,0,0,0,0|1,0,1]=4 11616 B13R1.16 C=CCNCc1cccc(c1Cl)Cl 2230a_100020586998_100000723366 [0,2,0,0,0,0|1,0,1]=4 11617 B13R1.16 C=CCNCc1cccc(c1Cl)Cl 270004a_100020586998_100000210504 [0,2,0,0,0,0|1,0,1]=4 11618 B13R1.16 C=CCNCc1cccc(c1Cl)Cl 34a_100011211633_100015514636 [0,2,0,0,0,0|1,0,1]=4 11619 B13R1.16 C=CCNCc1cccc(c1Cl)F 2230a_100012001614_100000210623 [0,2,0,0,0,0|1,0,1]=4 11620 B13R1.16 C=CCNCc1cccc(c1Cl)F 2230a_100020586998_100000696688 [0,2,0,0,0,0|1,0,1]=4 11621 B13R1.16 C=CCNCc1cccc(c1Cl)F 270004a_100020586998_100011998484 [0,2,0,0,0,0|1,0,1]=4 11622 B13R1.16 C=CCNCc1cccc(c1Cl)F 34a_100012001614_100015514636 [0,2,0,0,0,0|1,0,1]=4 11623 B13R1.16 C=CCNCc1cccc(c1Cl)O 270004a_100020586998_100000050521 [0,2,0,0,0,0|1,0,1]=4 11624 B13R1.16 C=CCOCc1cccc(c1Cl)Br 34a_100012351182_100015514636 [0,2,0,0,0,0|1,0,1]=4 11625 B13R1.16 C=CCOCc1cccc(c1Cl)Br 34a_200000210373_100012349491 [0,2,0,0,0,0|1,0,1]=4 11626 B13R1.16 C=CCOCc1cccc(c1Cl)Br 7a_100012351182_100015514636 [0,2,0,0,0,0|1,0,1]=4 11627 B13R1.16 C=CCOCc1cccc(c1Cl)C 34a_100000710031_100015514636 [0,2,0,0,0,0|1,0,1]=4 11628 B13R1.16 C=CCOCc1cccc(c1Cl)C 7a_100000710031_100015514636 [0,2,0,0,0,0|1,0,1]=4 11629 B13R1.16 C=CCOCc1cccc(c1Cl)Cl 34a_100000720469_100015514636 [0,2,0,0,0,0|1,0,1]=4 11630 B13R1.16 C=CCOCc1cccc(c1Cl)Cl 34a_200000210373_100000723366 [0,2,0,0,0,0|1,0,1]=4 11631 B13R1.16 C=CCOCc1cccc(c1Cl)Cl 7a_100000720469_100015514636 [0,2,0,0,0,0|1,0,1]=4 11632 B13R1.16 C=CCOCc1cccc(c1Cl)F 34a_100000696319_100015514636 [0,2,0,0,0,0|1,0,1]=4 11633 B13R1.16 C=CCOCc1cccc(c1Cl)F 34a_200000210373_100000696688 [0,2,0,0,0,0|1,0,1]=4 11634 B13R1.16 C=CCOCc1cccc(c1Cl)F 7a_100000696319_100015514636 [0,2,0,0,0,0|1,0,1]=4 11635 B13R1.16 C=CCSCc1cccc(c1Cl)Br 62a_100000210623_100012349491 [0,2,0,0,0,0|1,0,1]=4 11636 B13R1.16 C=CCSCc1cccc(c1Cl)Br 62a_100012349491_100000210623 [0,2,0,0,0,0|1,0,1]=4 11637 B13R1.16 C=CCSCc1cccc(c1Cl)Cl 62a_100000210623_100000723366 [0,2,0,0,0,0|1,0,1]=4 11638 B13R1.16 C=CCSCc1cccc(c1Cl)Cl 62a_100000720918_100000210623 [0,2,0,0,0,0|1,0,1]=4 11639 B13R1.16 C=CCSCc1cccc(c1Cl)F 62a_100000210623_100000696688 [0,2,0,0,0,0|1,0,1]=4 11640 B13R1.16 C=CCSCc1cccc(c1Cl)F 62a_100000696688_100000210623 [0,2,0,0,0,0|1,0,1]=4 11641 B13R1.16 CC#CCNc1cccc(c1Cl)Br 34a_100000687075_100000748600 [0,2,0,0,0,0|1,0,1]=4 11642 B13R1.16 CC#CCNc1cccc(c1Cl)C 34a_100000765562_100000748600 [0,2,0,0,0,0|1,0,1]=4 11643 B13R1.16 CC#CCNc1cccc(c1Cl)C 7a_100000765562_100000748600 [0,2,0,0,0,0|1,0,1]=4 11644 B13R1.16 CC#CCNc1cccc(c1Cl)Cl 34a_100000185733_100000748600 [0,2,0,0,0,0|1,0,1]=4 11645 B13R1.16 CC#CCNc1cccc(c1Cl)F 34a_100000692321_100000748600 [0,2,0,0,0,0|1,0,1]=4 11646 B13R1.16 CC#CCNc1cccc(c1Cl)O 34a_100012002038_100000748600 [0,2,0,0,0,0|1,0,1]=4 11647 B13R1.16 CC#CCNc1cccc(c1Cl)O 7a_100012002038_100000748600 [0,2,0,0,0,0|1,0,1]=4 11648 B13R1.16 CC#CCOc1cccc(c1Cl)Br 34a_100010187913_100000748600 [0,2,0,0,0,0|1,0,1]=4 11649 B13R1.16 CC#CCOc1cccc(c1Cl)Br 7a_100010187913_100000748600 [0,2,0,0,0,0|1,0,1]=4 11650 B13R1.16 CC#CCOc1cccc(c1Cl)C 34a_100000695629_100000748600 [0,2,0,0,0,0|1,0,1]=4 11651 B13R1.16 CC#CCOc1cccc(c1Cl)C 7a_100000695629_100000748600 [0,2,0,0,0,0|1,0,1]=4 11652 B13R1.16 CC#CCOc1cccc(c1Cl)Cl 34a_100000211076_100000748600 [0,2,0,0,0,0|1,0,1]=4 11653 B13R1.16 CC#CCOc1cccc(c1Cl)Cl 7a_100000211076_100000748600 [0,2,0,0,0,0|1,0,1]=4 11654 B13R1.16 CC#CCOc1cccc(c1Cl)F 34a_100000087408_100000748600 [0,2,0,0,0,0|1,0,1]=4 11655 B13R1.16 CC#CCOc1cccc(c1Cl)F 7a_100000087408_100000748600 [0,2,0,0,0,0|1,0,1]=4 11656 B13R1.16 CC#CCOc1cccc(c1Cl)I 34a_100000049636_100000748600 [0,2,0,0,0,0|1,0,1]=4 11657 B13R1.16 CC#CCOc1cccc(c1Cl)I 7a_100000049636_100000748600 [0,2,0,0,0,0|1,0,1]=4 11658 B13R1.16 CC#CCOc1cccc(c1Cl)N 34a_100012002038_100000748600 [0,2,0,0,0,0|1,0,1]=4 11659 B13R1.16 CC#CCOc1cccc(c1Cl)N 7a_100012002038_100000748600 [0,2,0,0,0,0|1,0,1]=4 11660 B13R1.16 CC#CCSc1cccc(c1Cl)Br 62a_100000748600_100010142854 [0,2,0,0,0,0|1,0,1]=4 11661 B13R1.16 CC#CCSc1cccc(c1Cl)Br 62a_100010142854_100000748600 [0,2,0,0,0,0|1,0,1]=4 11662 B13R1.16 CC#CCSc1cccc(c1Cl)C 62a_100000748600_200012352035 [0,2,0,0,0,0|1,0,1]=4 11663 B13R1.16 CC#CCSc1cccc(c1Cl)C 62a_200012352035_100000748600 [0,2,0,0,0,0|1,0,1]=4 11664 B13R1.16 CC#CCSc1cccc(c1Cl)Cl 62a_100000748600_100011215384 [0,2,0,0,0,0|1,0,1]=4 11665 B13R1.16 CC#CCSc1cccc(c1Cl)Cl 62a_100011215384_100000748600 [0,2,0,0,0,0|1,0,1]=4 11666 B13R1.16 CC#CCSc1cccc(c1Cl)F 62a_100000748600_200010234923 [0,2,0,0,0,0|1,0,1]=4 11667 B13R1.16 CC#CCSc1cccc(c1Cl)F 62a_200010234923_100000748600 [0,2,0,0,0,0|1,0,1]=4 11668 B13R1.16 CC#CCSc1cccc(c1Cl)O 62a_100000748600_100000049636 [0,2,0,0,0,0|1,0,1]=4 11669 B13R1.16 CC=CCNc1cccc(c1Cl)Br 34a_100000687075_100000070051 [0,2,0,0,0,0|1,0,1]=4 11670 B13R1.16 CC=CCNc1cccc(c1Cl)C 34a_100000765562_100000070051 [0,2,0,0,0,0|1,0,1]=4 11671 B13R1.16 CC=CCNc1cccc(c1Cl)C 7a_100000765562_100000070051 [0,2,0,0,0,0|1,0,1]=4 11672 B13R1.16 CC=CCNc1cccc(c1Cl)Cl 34a_100000185733_100000070051 [0,2,0,0,0,0|1,0,1]=4 11673 B13R1.16 CC=CCNc1cccc(c1Cl)F 34a_100000692321_100000070051 [0,2,0,0,0,0|1,0,1]=4 11674 B13R1.16 CC=CCNc1cccc(c1Cl)O 34a_100012002038_100000070051 [0,2,0,0,0,0|1,0,1]=4 11675 B13R1.16 CC=CCNc1cccc(c1Cl)O 7a_100012002038_100000070051 [0,2,0,0,0,0|1,0,1]=4 11676 B13R1.16 CC=CCOc1cccc(c1Cl)Br 34a_100010187913_100000070051 [0,2,0,0,0,0|1,0,1]=4 11677 B13R1.16 CC=CCOc1cccc(c1Cl)Br 7a_100010187913_100000070051 [0,2,0,0,0,0|1,0,1]=4 11678 B13R1.16 CC=CCOc1cccc(c1Cl)C 34a_100000695629_100000070051 [0,2,0,0,0,0|1,0,1]=4 11679 B13R1.16 CC=CCOc1cccc(c1Cl)C 7a_100000695629_100000070051 [0,2,0,0,0,0|1,0,1]=4 11680 B13R1.16 CC=CCOc1cccc(c1Cl)Cl 34a_100000211076_100000070051 [0,2,0,0,0,0|1,0,1]=4 11681 B13R1.16 CC=CCOc1cccc(c1Cl)Cl 7a_100000211076_100000070051 [0,2,0,0,0,0|1,0,1]=4 11682 B13R1.16 CC=CCOc1cccc(c1Cl)F 34a_100000087408_100000070051 [0,2,0,0,0,0|1,0,1]=4 11683 B13R1.16 CC=CCOc1cccc(c1Cl)F 7a_100000087408_100000070051 [0,2,0,0,0,0|1,0,1]=4 11684 B13R1.16 CC=CCOc1cccc(c1Cl)I 34a_100000049636_100000070051 [0,2,0,0,0,0|1,0,1]=4 11685 B13R1.16 CC=CCOc1cccc(c1Cl)I 7a_100000049636_100000070051 [0,2,0,0,0,0|1,0,1]=4 11686 B13R1.16 CC=CCOc1cccc(c1Cl)N 34a_100012002038_100000070051 [0,2,0,0,0,0|1,0,1]=4 11687 B13R1.16 CC=CCOc1cccc(c1Cl)N 7a_100012002038_100000070051 [0,2,0,0,0,0|1,0,1]=4 11688 B13R1.16 CC=CCSc1cccc(c1Cl)Br 62a_100000070051_100010142854 [0,2,0,0,0,0|1,0,1]=4 11689 B13R1.16 CC=CCSc1cccc(c1Cl)Br 62a_100010142854_100000070051 [0,2,0,0,0,0|1,0,1]=4 11690 B13R1.16 CC=CCSc1cccc(c1Cl)C 62a_100000070051_200012352035 [0,2,0,0,0,0|1,0,1]=4 11691 B13R1.16 CC=CCSc1cccc(c1Cl)C 62a_200012352035_100000070051 [0,2,0,0,0,0|1,0,1]=4 11692 B13R1.16 CC=CCSc1cccc(c1Cl)Cl 62a_100000070051_100011215384 [0,2,0,0,0,0|1,0,1]=4 11693 B13R1.16 CC=CCSc1cccc(c1Cl)Cl 62a_100011215384_100000070051 [0,2,0,0,0,0|1,0,1]=4 11694 B13R1.16 CC=CCSc1cccc(c1Cl)F 62a_100000070051_200010234923 [0,2,0,0,0,0|1,0,1]=4 11695 B13R1.16 CC=CCSc1cccc(c1Cl)F 62a_200010234923_100000070051 [0,2,0,0,0,0|1,0,1]=4 11696 B13R1.16 CC=CCSc1cccc(c1Cl)O 62a_100000070051_100000049636 [0,2,0,0,0,0|1,0,1]=4 11697 B13R1.16 CCCC=Cc1cccc(c1Cl)Br 271570a_100016258520_100010142854 [0,2,0,0,0,0|1,0,1]=4 11698 B13R1.16 CCCC=Cc1cccc(c1Cl)C 271570a_100016258520_200012352035 [0,2,0,0,0,0|1,0,1]=4 11699 B13R1.16 CCCC=Cc1cccc(c1Cl)Cl 271570a_100016258520_100011215384 [0,2,0,0,0,0|1,0,1]=4 11700 B13R1.16 CCCC=Cc1cccc(c1Cl)F 271570a_100016258520_200010234923 [0,2,0,0,0,0|1,0,1]=4 11701 B13R1.16 CCCC=Cc1cccc(c1Cl)O 271570a_100016258520_100000049636 [0,2,0,0,0,0|1,0,1]=4 11702 B13R1.16 CCCCNc1cccc(c1Br)C 34a_100000684715_100000210210 [0,2,0,0,0,0|1,1,0]=4 11703 B13R1.16 CCCCNc1cccc(c1Br)Cl 34a_100000687072_100000210210 [0,2,0,0,0,0|1,1,0]=4 11704 B13R1.16 CCCCNc1cccc(c1Br)F 34a_100011934729_100000210210 [0,2,0,0,0,0|1,1,0]=4 11705 B13R1.16 CCCCNc1cccc(c1Br)O 34a_100012183704_100000210210 [0,2,0,0,0,0|1,1,0]=4 11706 B13R1.16 CCCCNc1cccc(c1Br)O 7a_100012183704_100000210211 [0,2,0,0,0,0|1,1,0]=4 11707 B13R1.16 CCCCNc1cccc(c1C)Br 34a_100000750434_100000210210 [0,2,0,0,0,0|2,0,0]=4 11708 B13R1.16 CCCCNc1cccc(c1C)C 2230a_100000210026_100000210211 [0,2,0,0,0,0|2,0,0]=4 11709 B13R1.16 CCCCNc1cccc(c1C)C 34a_100000210026_100000210210 [0,2,0,0,0,0|2,0,0]=4 11710 B13R1.16 CCCCNc1cccc(c1C)C 7a_100000210026_100000210211 [0,2,0,0,0,0|2,0,0]=4 11711 B13R1.16 CCCCNc1cccc(c1C)Cl 2230a_100000210441_100000210211 [0,2,0,0,0,0|2,0,0]=4 11712 B13R1.16 CCCCNc1cccc(c1C)Cl 34a_100000210441_100000210210 [0,2,0,0,0,0|2,0,0]=4 11713 B13R1.16 CCCCNc1cccc(c1C)Cl 7a_100000210441_100000210211 [0,2,0,0,0,0|2,0,0]=4 11714 B13R1.16 CCCCNc1cccc(c1C)F 34a_100000745574_100000210210 [0,2,0,0,0,0|2,0,0]=4 11715 B13R1.16 CCCCNc1cccc(c1C)F 7a_100000745574_100000210211 [0,2,0,0,0,0|2,0,0]=4 11716 B13R1.16 CCCCNc1cccc(c1C)I 34a_100000761887_100000210210 [0,2,0,0,0,0|2,0,0]=4 11717 B13R1.16 CCCCNc1cccc(c1C)O 34a_100011216573_100000210210 [0,2,0,0,0,0|2,0,0]=4 11718 B13R1.16 CCCCNc1cccc(c1C)O 7a_100011216573_100000210211 [0,2,0,0,0,0|2,0,0]=4 11719 B13R1.16 CCCCNc1cccc(c1Cl)Br 34a_100000687075_100000210210 [0,2,0,0,0,0|1,0,0]=3 11720 B13R1.16 CCCCNc1cccc(c1Cl)C 34a_100000765562_100000210210 [0,2,0,0,0,0|1,0,0]=3 11721 B13R1.16 CCCCNc1cccc(c1Cl)C 7a_100000765562_100000210211 [0,2,0,0,0,0|1,0,0]=3 11722 B13R1.16 CCCCNc1cccc(c1Cl)Cl 34a_100000185733_100000210210 [0,2,0,0,0,0|1,0,0]=3 11723 B13R1.16 CCCCNc1cccc(c1Cl)F 34a_100000692321_100000210210 [0,2,0,0,0,0|1,0,0]=3 11724 B13R1.16 CCCCNc1cccc(c1Cl)O 34a_100012002038_100000210210 [0,2,0,0,0,0|1,0,0]=3 11725 B13R1.16 CCCCNc1cccc(c1Cl)O 7a_100012002038_100000210211 [0,2,0,0,0,0|1,0,0]=3 11726 B13R1.16 CCCCNc1cccc(c1F)Br 2230a_100011935091_100000210211 [0,2,0,0,0,0|1,1,0]=4 11727 B13R1.16 CCCCNc1cccc(c1F)Br 34a_100011935091_100000210210 [0,2,0,0,0,0|1,1,0]=4 11728 B13R1.16 CCCCNc1cccc(c1F)C 2230a_100000697159_100000210211 [0,2,0,0,0,0|1,1,0]=4 11729 B13R1.16 CCCCNc1cccc(c1F)C 34a_100000697159_100000210210 [0,2,0,0,0,0|1,1,0]=4 11730 B13R1.16 CCCCNc1cccc(c1F)C 7a_100000697159_100000210211 [0,2,0,0,0,0|1,1,0]=4 11731 B13R1.16 CCCCNc1cccc(c1F)Cl 2230a_100000199060_100000210211 [0,2,0,0,0,0|1,1,0]=4 11732 B13R1.16 CCCCNc1cccc(c1F)Cl 34a_100000199060_100000210210 [0,2,0,0,0,0|1,1,0]=4 11733 B13R1.16 CCCCNc1cccc(c1F)F 34a_100000743855_100000210210 [0,2,0,0,0,0|1,1,0]=4 11734 B13R1.16 CCCCNc1cccc(c1I)Br 34a_100020590159_100000210210 [0,2,0,0,0,0|1,1,0]=4 11735 B13R1.16 CCCCNc1cccc(c1I)C 34a_100000761888_100000210210 [0,2,0,0,0,0|1,1,0]=4 11736 B13R1.16 CCCCNc1cccc(c1I)Cl 34a_100000049713_100000210210 [0,2,0,0,0,0|1,1,0]=4 11737 B13R1.16 CCCCNc1cccc(c1I)F 34a_100000690935_100000210210 [0,2,0,0,0,0|1,1,0]=4 11738 B13R1.16 CCCCNc1cccc(c1O)Br 34a_100011934915_100000210210 [0,2,0,0,0,0|2,0,0]=4 11739 B13R1.16 CCCCNc1cccc(c1O)C 34a_100000756359_100000210210 [0,2,0,0,0,0|2,0,0]=4 11740 B13R1.16 CCCCNc1cccc(c1O)Cl 34a_100000754742_100000210210 [0,2,0,0,0,0|2,0,0]=4 11741 B13R1.16 CCCCNc1cccc(c1O)F 34a_100011934987_100000210210 [0,2,0,0,0,0|2,0,0]=4 11742 B13R1.16 CCCCNc1ccnc(c1Cl)C 27a_100000102301_100000698670 [0,2,0,0,0,0|2,0,0]=4 11743 B13R1.16 CCCCNc1ccnc(c1Cl)F 27a_100000102301_100010067886 [0,2,0,0,0,0|2,0,0]=4 11744 B13R1.16 CCCCOc1cccc(c1Br)Br 34a_100010187966_100000210210 [0,2,0,0,0,0|1,1,0]=4 11745 B13R1.16 CCCCOc1cccc(c1Br)Br 7a_100010187966_100000210211 [0,2,0,0,0,0|1,1,0]=4 11746 B13R1.16 CCCCOc1cccc(c1Br)C 34a_100000686692_100000210210 [0,2,0,0,0,0|1,1,0]=4 11747 B13R1.16 CCCCOc1cccc(c1Br)C 7a_100000686692_100000210211 [0,2,0,0,0,0|1,1,0]=4 11748 B13R1.16 CCCCOc1cccc(c1Br)Cl 34a_100012348804_100000210210 [0,2,0,0,0,0|1,1,0]=4 11749 B13R1.16 CCCCOc1cccc(c1Br)Cl 7a_100012348804_100000210211 [0,2,0,0,0,0|1,1,0]=4 11750 B13R1.16 CCCCOc1cccc(c1Br)F 34a_100009820682_100000210210 [0,2,0,0,0,0|1,1,0]=4 11751 B13R1.16 CCCCOc1cccc(c1Br)F 7a_100009820682_100000210211 [0,2,0,0,0,0|1,1,0]=4 11752 B13R1.16 CCCCOc1cccc(c1Br)I 34a_100010187914_100000210210 [0,2,0,0,0,0|1,1,0]=4 11753 B13R1.16 CCCCOc1cccc(c1Br)I 7a_100010187914_100000210211 [0,2,0,0,0,0|1,1,0]=4 11754 B13R1.16 CCCCOc1cccc(c1Br)N 34a_100012183704_100000210210 [0,2,0,0,0,0|1,1,0]=4 11755 B13R1.16 CCCCOc1cccc(c1Br)N 7a_100012183704_100000210211 [0,2,0,0,0,0|1,1,0]=4 11756 B13R1.16 CCCCOc1cccc(c1C)Br 34a_100012002258_100000210210 [0,2,0,0,0,0|2,0,0]=4 11757 B13R1.16 CCCCOc1cccc(c1C)Br 7a_100012002258_100000210211 [0,2,0,0,0,0|2,0,0]=4 11758 B13R1.16 CCCCOc1cccc(c1C)C 34a_100000185855_100000210210 [0,2,0,0,0,0|2,0,0]=4 11759 B13R1.16 CCCCOc1cccc(c1C)C 7a_100000185855_100000210211 [0,2,0,0,0,0|2,0,0]=4 11760 B13R1.16 CCCCOc1cccc(c1C)Cl 34a_100011265684_100000210210 [0,2,0,0,0,0|2,0,0]=4 11761 B13R1.16 CCCCOc1cccc(c1C)Cl 7a_100011265684_100000210211 [0,2,0,0,0,0|2,0,0]=4 11762 B13R1.16 CCCCOc1cccc(c1C)F 34a_100011217231_100000210210 [0,2,0,0,0,0|2,0,0]=4 11763 B13R1.16 CCCCOc1cccc(c1C)F 7a_100011217231_100000210211 [0,2,0,0,0,0|2,0,0]=4 11764 B13R1.16 CCCCOc1cccc(c1C)N 34a_100011216573_100000210210 [0,2,0,0,0,0|2,0,0]=4 11765 B13R1.16 CCCCOc1cccc(c1C)N 7a_100011216573_100000210211 [0,2,0,0,0,0|2,0,0]=4 11766 B13R1.16 CCCCOc1cccc(c1Cl)Br 34a_100010187913_100000210210 [0,2,0,0,0,0|1,0,0]=3 11767 B13R1.16 CCCCOc1cccc(c1Cl)Br 7a_100010187913_100000210211 [0,2,0,0,0,0|1,0,0]=3 11768 B13R1.16 CCCCOc1cccc(c1Cl)C 34a_100000695629_100000210210 [0,2,0,0,0,0|1,0,0]=3 11769 B13R1.16 CCCCOc1cccc(c1Cl)C 7a_100000695629_100000210211 [0,2,0,0,0,0|1,0,0]=3 11770 B13R1.16 CCCCOc1cccc(c1Cl)Cl 34a_100000211076_100000210210 [0,2,0,0,0,0|1,0,0]=3 11771 B13R1.16 CCCCOc1cccc(c1Cl)Cl 7a_100000211076_100000210211 [0,2,0,0,0,0|1,0,0]=3 11772 B13R1.16 CCCCOc1cccc(c1Cl)F 34a_100000087408_100000210210 [0,2,0,0,0,0|1,0,0]=3 11773 B13R1.16 CCCCOc1cccc(c1Cl)F 7a_100000087408_100000210211 [0,2,0,0,0,0|1,0,0]=3 11774 B13R1.16 CCCCOc1cccc(c1Cl)I 34a_100000049636_100000210210 [0,2,0,0,0,0|1,0,0]=3 11775 B13R1.16 CCCCOc1cccc(c1Cl)I 7a_100000049636_100000210211 [0,2,0,0,0,0|1,0,0]=3 11776 B13R1.16 CCCCOc1cccc(c1Cl)N 34a_100012002038_100000210210 [0,2,0,0,0,0|1,0,0]=3 11777 B13R1.16 CCCCOc1cccc(c1Cl)N 7a_100012002038_100000210211 [0,2,0,0,0,0|1,0,0]=3 11778 B13R1.16 CCCCOc1cccc(c1F)Br 34a_100009817021_100000210210 [0,2,0,0,0,0|1,1,0]=4 11779 B13R1.16 CCCCOc1cccc(c1F)Br 7a_100009817021_100000210211 [0,2,0,0,0,0|1,1,0]=4 11780 B13R1.16 CCCCOc1cccc(c1F)C 34a_100000751311_100000210210 [0,2,0,0,0,0|1,1,0]=4 11781 B13R1.16 CCCCOc1cccc(c1F)C 7a_100000751311_100000210211 [0,2,0,0,0,0|1,1,0]=4 11782 B13R1.16 CCCCOc1cccc(c1F)Cl 34a_100000687438_100000210210 [0,2,0,0,0,0|1,1,0]=4 11783 B13R1.16 CCCCOc1cccc(c1F)Cl 7a_100000687438_100000210211 [0,2,0,0,0,0|1,1,0]=4 11784 B13R1.16 CCCCOc1cccc(c1F)F 34a_100000751161_100000210210 [0,2,0,0,0,0|1,1,0]=4 11785 B13R1.16 CCCCOc1cccc(c1F)F 7a_100000751161_100000210211 [0,2,0,0,0,0|1,1,0]=4 11786 B13R1.16 CCCCOc1cccc(c1I)Br 34a_100010187912_100000210210 [0,2,0,0,0,0|1,1,0]=4 11787 B13R1.16 CCCCOc1cccc(c1I)Br 7a_100010187912_100000210211 [0,2,0,0,0,0|1,1,0]=4 11788 B13R1.16 CCCCOc1cccc(c1I)C 34a_100010083724_100000210210 [0,2,0,0,0,0|1,1,0]=4 11789 B13R1.16 CCCCOc1cccc(c1I)C 7a_100010083724_100000210211 [0,2,0,0,0,0|1,1,0]=4 11790 B13R1.16 CCCCOc1cccc(c1I)Cl 34a_100000050174_100000210210 [0,2,0,0,0,0|1,1,0]=4 11791 B13R1.16 CCCCOc1cccc(c1I)Cl 7a_100000050174_100000210211 [0,2,0,0,0,0|1,1,0]=4 11792 B13R1.16 CCCCOc1cccc(c1I)F 34a_100000690913_100000210210 [0,2,0,0,0,0|1,1,0]=4 11793 B13R1.16 CCCCOc1cccc(c1I)F 7a_100000690913_100000210211 [0,2,0,0,0,0|1,1,0]=4 11794 B13R1.16 CCCCOc1cccc(c1N)Br 34a_100011934926_100000210210 [0,2,0,0,0,0|2,0,0]=4 11795 B13R1.16 CCCCOc1cccc(c1N)Br 7a_100011934926_100000210211 [0,2,0,0,0,0|2,0,0]=4 11796 B13R1.16 CCCCOc1cccc(c1N)C 34a_100000743429_100000210210 [0,2,0,0,0,0|2,0,0]=4 11797 B13R1.16 CCCCOc1cccc(c1N)C 7a_100000743429_100000210211 [0,2,0,0,0,0|2,0,0]=4 11798 B13R1.16 CCCCOc1cccc(c1N)Cl 34a_100012022510_100000210210 [0,2,0,0,0,0|2,0,0]=4 11799 B13R1.16 CCCCOc1cccc(c1N)Cl 7a_100012022510_100000210211 [0,2,0,0,0,0|2,0,0]=4 11800 B13R1.16 CCCCOc1cccc(c1N)F 34a_100020591140_100000210210 [0,2,0,0,0,0|2,0,0]=4 11801 B13R1.16 CCCCOc1cccc(c1N)F 7a_100020591140_100000210211 [0,2,0,0,0,0|2,0,0]=4 11802 B13R1.16 CCCCOc1cccc(c1N)I 34a_200000049512_100000210210 [0,2,0,0,0,0|2,0,0]=4 11803 B13R1.16 CCCCOc1cccc(c1N)I 7a_200000049512_100000210211 [0,2,0,0,0,0|2,0,0]=4 11804 B13R1.16 CCCCOc1cccc(c1N)N 34a_100000033209_100000210210 [0,2,0,0,0,0|2,0,0]=4 11805 B13R1.16 CCCCOc1ccnc(c1Cl)Cl 34a_100009860235_100000210210 [0,2,0,0,0,0|2,0,0]=4 11806 B13R1.16 CCCCOc1nccc(c1Cl)N 34a_200000093555_100000210210 [0,2,0,0,0,0|2,0,0]=4 11807 B13R1.16 CCCCSc1cccc(c1Br)Br 62a_100000210211_100010175083 [0,2,0,0,0,0|1,1,0]=4 11808 B13R1.16 CCCCSc1cccc(c1Br)Br 62a_100010175083_100000210210 [0,2,0,0,0,0|1,1,0]=4 11809 B13R1.16 CCCCSc1cccc(c1Br)C 62a_100000210211_100012362457 [0,2,0,0,0,0|1,1,0]=4 11810 B13R1.16 CCCCSc1cccc(c1Br)C 62a_100012362457_100000210210 [0,2,0,0,0,0|1,1,0]=4 11811 B13R1.16 CCCCSc1cccc(c1Br)Cl 62a_100000210211_100014021842 [0,2,0,0,0,0|1,1,0]=4 11812 B13R1.16 CCCCSc1cccc(c1Br)Cl 62a_100014021842_100000210210 [0,2,0,0,0,0|1,1,0]=4 11813 B13R1.16 CCCCSc1cccc(c1Br)F 62a_100000210211_100010202630 [0,2,0,0,0,0|1,1,0]=4 11814 B13R1.16 CCCCSc1cccc(c1Br)F 62a_100010202630_100000210210 [0,2,0,0,0,0|1,1,0]=4 11815 B13R1.16 CCCCSc1cccc(c1Br)O 62a_100000210211_100010187914 [0,2,0,0,0,0|1,1,0]=4 11816 B13R1.16 CCCCSc1cccc(c1Br)O 62a_100010187914_100000210210 [0,2,0,0,0,0|1,1,0]=4 11817 B13R1.16 CCCCSc1cccc(c1C)Br 62a_100000210211_100012353703 [0,2,0,0,0,0|2,0,0]=4 11818 B13R1.16 CCCCSc1cccc(c1C)Br 62a_100012353703_100000210210 [0,2,0,0,0,0|2,0,0]=4 11819 B13R1.16 CCCCSc1cccc(c1C)C 62a_100000210211_100011214922 [0,2,0,0,0,0|2,0,0]=4 11820 B13R1.16 CCCCSc1cccc(c1C)C 62a_100011214922_100000210210 [0,2,0,0,0,0|2,0,0]=4 11821 B13R1.16 CCCCSc1cccc(c1C)Cl 62a_100000210211_100000726075 [0,2,0,0,0,0|2,0,0]=4 11822 B13R1.16 CCCCSc1cccc(c1C)Cl 62a_100000726075_100000210210 [0,2,0,0,0,0|2,0,0]=4 11823 B13R1.16 CCCCSc1cccc(c1C)F 62a_100000210211_100011216893 [0,2,0,0,0,0|2,0,0]=4 11824 B13R1.16 CCCCSc1cccc(c1C)F 62a_100011216893_100000210210 [0,2,0,0,0,0|2,0,0]=4 11825 B13R1.16 CCCCSc1cccc(c1C)N 62a_100000210211_100000761887 [0,2,0,0,0,0|2,0,0]=4 11826 B13R1.16 CCCCSc1cccc(c1C)N 62a_100000761887_100000210210 [0,2,0,0,0,0|2,0,0]=4 11827 B13R1.16 CCCCSc1cccc(c1C)O 62a_100000210211_100012002258 [0,2,0,0,0,0|2,0,0]=4 11828 B13R1.16 CCCCSc1cccc(c1C)O 62a_100012002258_100000210210 [0,2,0,0,0,0|2,0,0]=4 11829 B13R1.16 CCCCSc1cccc(c1Cl)Br 62a_100000210211_100010142854 [0,2,0,0,0,0|1,0,0]=3 11830 B13R1.16 CCCCSc1cccc(c1Cl)Br 62a_100010142854_100000210210 [0,2,0,0,0,0|1,0,0]=3 11831 B13R1.16 CCCCSc1cccc(c1Cl)C 62a_100000210211_200012352035 [0,2,0,0,0,0|1,0,0]=3 11832 B13R1.16 CCCCSc1cccc(c1Cl)C 62a_200012352035_100000210210 [0,2,0,0,0,0|1,0,0]=3 11833 B13R1.16 CCCCSc1cccc(c1Cl)Cl 62a_100000210211_100011215384 [0,2,0,0,0,0|1,0,0]=3 11834 B13R1.16 CCCCSc1cccc(c1Cl)Cl 62a_100011215384_100000210210 [0,2,0,0,0,0|1,0,0]=3 11835 B13R1.16 CCCCSc1cccc(c1Cl)F 62a_100000210211_200010234923 [0,2,0,0,0,0|1,0,0]=3 11836 B13R1.16 CCCCSc1cccc(c1Cl)F 62a_200010234923_100000210210 [0,2,0,0,0,0|1,0,0]=3 11837 B13R1.16 CCCCSc1cccc(c1Cl)O 62a_100000210211_100000049636 [0,2,0,0,0,0|1,0,0]=3 11838 B13R1.16 CCCCSc1cccc(c1F)Br 62a_100000210211_100000702267 [0,2,0,0,0,0|1,1,0]=4 11839 B13R1.16 CCCCSc1cccc(c1F)Br 62a_100000702267_100000210210 [0,2,0,0,0,0|1,1,0]=4 11840 B13R1.16 CCCCSc1cccc(c1F)C 62a_100000210211_100000717567 [0,2,0,0,0,0|1,1,0]=4 11841 B13R1.16 CCCCSc1cccc(c1F)C 62a_100000717567_100000210210 [0,2,0,0,0,0|1,1,0]=4 11842 B13R1.16 CCCCSc1cccc(c1F)Cl 62a_100000210211_100011217346 [0,2,0,0,0,0|1,1,0]=4 11843 B13R1.16 CCCCSc1cccc(c1F)Cl 62a_100011217346_100000210210 [0,2,0,0,0,0|1,1,0]=4 11844 B13R1.16 CCCCSc1cccc(c1F)F 62a_100000210211_100000694657 [0,2,0,0,0,0|1,1,0]=4 11845 B13R1.16 CCCCSc1cccc(c1F)F 62a_100000694657_100000210210 [0,2,0,0,0,0|1,1,0]=4 11846 B13R1.16 CCCCSc1cccc(c1F)N 62a_100000210211_100011935091 [0,2,0,0,0,0|1,1,0]=4 11847 B13R1.16 CCCCSc1cccc(c1F)N 62a_100011935091_100000210210 [0,2,0,0,0,0|1,1,0]=4 11848 B13R1.16 CCCCSc1cccc(c1F)O 62a_100000210211_100009817021 [0,2,0,0,0,0|1,1,0]=4 11849 B13R1.16 CCCCSc1cccc(c1F)O 62a_100009817021_100000210210 [0,2,0,0,0,0|1,1,0]=4 11850 B13R1.16 CCCCSc1cccc(c1N)Br 62a_100000210211_100010146558 [0,2,0,0,0,0|2,0,0]=4 11851 B13R1.16 CCCCSc1cccc(c1N)Br 62a_100010146558_100000210210 [0,2,0,0,0,0|2,0,0]=4 11852 B13R1.16 CCCCSc1cccc(c1N)C 62a_100000210211_100011834072 [0,2,0,0,0,0|2,0,0]=4 11853 B13R1.16 CCCCSc1cccc(c1N)C 62a_100011834072_100000210210 [0,2,0,0,0,0|2,0,0]=4 11854 B13R1.16 CCCCSc1cccc(c1N)Cl 62a_100000210211_100010190421 [0,2,0,0,0,0|2,0,0]=4 11855 B13R1.16 CCCCSc1cccc(c1N)Cl 62a_100010190421_100000210210 [0,2,0,0,0,0|2,0,0]=4 11856 B13R1.16 CCCCSc1cccc(c1N)F 62a_100000042321_100000210210 [0,2,0,0,0,0|2,0,0]=4 11857 B13R1.16 CCCCSc1cccc(c1N)F 62a_100000210211_100000042321 [0,2,0,0,0,0|2,0,0]=4 11858 B13R1.16 CCCCSc1cccc(c1N)N 62a_100015191791_100000210210 [0,2,0,0,0,0|2,0,0]=4 11859 B13R1.16 CCCCSc1cccc(c1N)O 62a_100000210211_100011934926 [0,2,0,0,0,0|2,0,0]=4 11860 B13R1.16 CCCCSc1cccc(c1O)Br 62a_100000210211_100010084509 [0,2,0,0,0,0|2,0,0]=4 11861 B13R1.16 CCCCSc1cccc(c1O)Br 62a_100010084509_100000210210 [0,2,0,0,0,0|2,0,0]=4 11862 B13R1.16 CCCCSc1cccc(c1O)C 62a_100000210211_100009817157 [0,2,0,0,0,0|2,0,0]=4 11863 B13R1.16 CCCCSc1cccc(c1O)C 62a_100009817157_100000210210 [0,2,0,0,0,0|2,0,0]=4 11864 B13R1.16 CCCCSc1cccc(c1O)Cl 62a_100000210211_100010202889 [0,2,0,0,0,0|2,0,0]=4 11865 B13R1.16 CCCCSc1cccc(c1O)Cl 62a_100010202889_100000210210 [0,2,0,0,0,0|2,0,0]=4 11866 B13R1.16 CCCCSc1cccc(c1O)F 62a_100000210211_100009813666 [0,2,0,0,0,0|2,0,0]=4 11867 B13R1.16 CCCCSc1cccc(c1O)F 62a_100009813666_100000210210 [0,2,0,0,0,0|2,0,0]=4 11868 B13R1.16 CCCCSc1cccc(c1O)N 62a_100000210211_100010084371 [0,2,0,0,0,0|2,0,0]=4 11869 B13R1.16 CCCCSc1cccc(c1O)N 62a_100011934915_100000210210 [0,2,0,0,0,0|2,0,0]=4 11870 B13R1.16 CCCCSc1cccc(c1O)O 62a_100000210211_100009815950 [0,2,0,0,0,0|2,0,0]=4 11871 B13R1.16 CCCCSc1ccnc(c1Cl)C 62a_100000210211_100000698670 [0,2,0,0,0,0|2,0,0]=4 11872 B13R1.16 CCCCSc1ccnc(c1Cl)C 62a_100000698670_100000210210 [0,2,0,0,0,0|2,0,0]=4 11873 B13R1.16 CCCCSc1ccnc(c1Cl)Cl 62a_100000210211_100010246212 [0,2,0,0,0,0|2,0,0]=4 11874 B13R1.16 CCCCSc1ccnc(c1Cl)Cl 62a_100010246212_100000210210 [0,2,0,0,0,0|2,0,0]=4 11875 B13R1.16 CCCCSc1ccnc(c1Cl)F 62a_100000210211_100010067886 [0,2,0,0,0,0|2,0,0]=4 11876 B13R1.16 CCCCSc1ccnc(c1Cl)F 62a_100010067886_100000210210 [0,2,0,0,0,0|2,0,0]=4 11877 B13R1.16 CCCCSc1ccnc(c1Cl)N 62a_100000210211_100010735111 [0,2,0,0,0,0|2,0,0]=4 11878 B13R1.16 CCCCSc1ccnc(c1Cl)N 62a_100010735111_100000210210 [0,2,0,0,0,0|2,0,0]=4 11879 B13R1.16 CCCNCc1cccc(c1Br)Br 207a_100020643023_100010240334 [0,2,0,0,0,0|1,1,0]=4 11880 B13R1.16 CCCNCc1cccc(c1Br)Br 270004a_100020643023_100010240334 [0,2,0,0,0,0|1,1,0]=4 11881 B13R1.16 CCCNCc1cccc(c1Br)C 207a_100020643023_100012186367 [0,2,0,0,0,0|1,1,0]=4 11882 B13R1.16 CCCNCc1cccc(c1Br)C 270004a_100020643023_100012186367 [0,2,0,0,0,0|1,1,0]=4 11883 B13R1.16 CCCNCc1cccc(c1Br)Cl 207a_100020643023_100010232083 [0,2,0,0,0,0|1,1,0]=4 11884 B13R1.16 CCCNCc1cccc(c1Br)Cl 270004a_100020643023_100010232083 [0,2,0,0,0,0|1,1,0]=4 11885 B13R1.16 CCCNCc1cccc(c1Br)F 207a_100020643023_100011934749 [0,2,0,0,0,0|1,1,0]=4 11886 B13R1.16 CCCNCc1cccc(c1Br)F 2230a_100020638964_100000210303 [0,2,0,0,0,0|1,1,0]=4 11887 B13R1.16 CCCNCc1cccc(c1Br)F 270004a_100020643023_100011934749 [0,2,0,0,0,0|1,1,0]=4 11888 B13R1.16 CCCNCc1cccc(c1Br)F 34a_100020638964_100000210303 [0,2,0,0,0,0|1,1,0]=4 11889 B13R1.16 CCCNCc1cccc(c1C)Br 207a_100020643023_100012179384 [0,2,0,0,0,0|2,0,0]=4 11890 B13R1.16 CCCNCc1cccc(c1C)Br 270004a_100020643023_100012179384 [0,2,0,0,0,0|2,0,0]=4 11891 B13R1.16 CCCNCc1cccc(c1C)Br 34a_100000724210_100000210303 [0,2,0,0,0,0|2,0,0]=4 11892 B13R1.16 CCCNCc1cccc(c1C)C 207a_100020643023_100000229941 [0,2,0,0,0,0|2,0,0]=4 11893 B13R1.16 CCCNCc1cccc(c1C)C 2230a_100011211637_100000210303 [0,2,0,0,0,0|2,0,0]=4 11894 B13R1.16 CCCNCc1cccc(c1C)C 270004a_100020643023_100000229941 [0,2,0,0,0,0|2,0,0]=4 11895 B13R1.16 CCCNCc1cccc(c1C)C 34a_100011211637_100000210303 [0,2,0,0,0,0|2,0,0]=4 11896 B13R1.16 CCCNCc1cccc(c1C)Cl 207a_100020643023_100012002129 [0,2,0,0,0,0|2,0,0]=4 11897 B13R1.16 CCCNCc1cccc(c1C)Cl 2230a_100020639605_100000210303 [0,2,0,0,0,0|2,0,0]=4 11898 B13R1.16 CCCNCc1cccc(c1C)Cl 270004a_100020643023_100012002129 [0,2,0,0,0,0|2,0,0]=4 11899 B13R1.16 CCCNCc1cccc(c1C)Cl 34a_100020639605_100000210303 [0,2,0,0,0,0|2,0,0]=4 11900 B13R1.16 CCCNCc1cccc(c1C)F 207a_100020643023_100000037668 [0,2,0,0,0,0|2,0,0]=4 11901 B13R1.16 CCCNCc1cccc(c1C)F 2230a_100132306986_100000210303 [0,2,0,0,0,0|2,0,0]=4 11902 B13R1.16 CCCNCc1cccc(c1C)F 270004a_100020643023_100000037668 [0,2,0,0,0,0|2,0,0]=4 11903 B13R1.16 CCCNCc1cccc(c1C)F 34a_100132306986_100000210303 [0,2,0,0,0,0|2,0,0]=4 11904 B13R1.16 CCCNCc1cccc(c1C)O 270004a_100020643023_100009868165 [0,2,0,0,0,0|2,0,0]=4 11905 B13R1.16 CCCNCc1cccc(c1Cl)Br 207a_100020643023_100012362481 [0,2,0,0,0,0|1,0,0]=3 11906 B13R1.16 CCCNCc1cccc(c1Cl)Br 270004a_100020643023_100012362481 [0,2,0,0,0,0|1,0,0]=3 11907 B13R1.16 CCCNCc1cccc(c1Cl)C 207a_100020643023_100012017286 [0,2,0,0,0,0|1,0,0]=3 11908 B13R1.16 CCCNCc1cccc(c1Cl)C 2230a_100025705714_100000210303 [0,2,0,0,0,0|1,0,0]=3 11909 B13R1.16 CCCNCc1cccc(c1Cl)C 270004a_100020643023_100012017286 [0,2,0,0,0,0|1,0,0]=3 11910 B13R1.16 CCCNCc1cccc(c1Cl)C 34a_100025705714_100000210303 [0,2,0,0,0,0|1,0,0]=3 11911 B13R1.16 CCCNCc1cccc(c1Cl)Cl 207a_100020643023_100000210504 [0,2,0,0,0,0|1,0,0]=3 11912 B13R1.16 CCCNCc1cccc(c1Cl)Cl 2230a_100011211633_100000210303 [0,2,0,0,0,0|1,0,0]=3 11913 B13R1.16 CCCNCc1cccc(c1Cl)Cl 270004a_100020643023_100000210504 [0,2,0,0,0,0|1,0,0]=3 11914 B13R1.16 CCCNCc1cccc(c1Cl)Cl 34a_100011211633_100000210303 [0,2,0,0,0,0|1,0,0]=3 11915 B13R1.16 CCCNCc1cccc(c1Cl)F 207a_100020643023_100011998484 [0,2,0,0,0,0|1,0,0]=3 11916 B13R1.16 CCCNCc1cccc(c1Cl)F 2230a_100012001614_100000210303 [0,2,0,0,0,0|1,0,0]=3 11917 B13R1.16 CCCNCc1cccc(c1Cl)F 270004a_100020643023_100011998484 [0,2,0,0,0,0|1,0,0]=3 11918 B13R1.16 CCCNCc1cccc(c1Cl)F 34a_100012001614_100000210303 [0,2,0,0,0,0|1,0,0]=3 11919 B13R1.16 CCCNCc1cccc(c1Cl)O 270004a_100020643023_100000050521 [0,2,0,0,0,0|1,0,0]=3 11920 B13R1.16 CCCNCc1cccc(c1F)Br 207a_100020643023_100011361543 [0,2,0,0,0,0|1,1,0]=4 11921 B13R1.16 CCCNCc1cccc(c1F)Br 2230a_100015189953_100000210303 [0,2,0,0,0,0|1,1,0]=4 11922 B13R1.16 CCCNCc1cccc(c1F)Br 270004a_100020643023_100011361543 [0,2,0,0,0,0|1,1,0]=4 11923 B13R1.16 CCCNCc1cccc(c1F)Br 34a_100015189953_100000210303 [0,2,0,0,0,0|1,1,0]=4 11924 B13R1.16 CCCNCc1cccc(c1F)C 207a_100020643023_100011219516 [0,2,0,0,0,0|1,1,0]=4 11925 B13R1.16 CCCNCc1cccc(c1F)C 2230a_100012002060_100000210303 [0,2,0,0,0,0|1,1,0]=4 11926 B13R1.16 CCCNCc1cccc(c1F)C 270004a_100020643023_100011219516 [0,2,0,0,0,0|1,1,0]=4 11927 B13R1.16 CCCNCc1cccc(c1F)C 34a_100012002060_100000210303 [0,2,0,0,0,0|1,1,0]=4 11928 B13R1.16 CCCNCc1cccc(c1F)Cl 207a_100020643023_100000766533 [0,2,0,0,0,0|1,1,0]=4 11929 B13R1.16 CCCNCc1cccc(c1F)Cl 2230a_100000764326_100000210303 [0,2,0,0,0,0|1,1,0]=4 11930 B13R1.16 CCCNCc1cccc(c1F)Cl 270004a_100020643023_100000766533 [0,2,0,0,0,0|1,1,0]=4 11931 B13R1.16 CCCNCc1cccc(c1F)Cl 34a_100000764326_100000210303 [0,2,0,0,0,0|1,1,0]=4 11932 B13R1.16 CCCNCc1cccc(c1F)F 207a_100020643023_100000753312 [0,2,0,0,0,0|1,1,0]=4 11933 B13R1.16 CCCNCc1cccc(c1F)F 2230a_100011199105_100000210303 [0,2,0,0,0,0|1,1,0]=4 11934 B13R1.16 CCCNCc1cccc(c1F)F 270004a_100020643023_100000753312 [0,2,0,0,0,0|1,1,0]=4 11935 B13R1.16 CCCNCc1cccc(c1F)F 34a_100011199105_100000210303 [0,2,0,0,0,0|1,1,0]=4 11936 B13R1.16 CCCNCc1cccc(c1F)I 207a_100020643023_100010202174 [0,2,0,0,0,0|1,1,0]=4 11937 B13R1.16 CCCNCc1cccc(c1F)I 270004a_100020643023_100010202174 [0,2,0,0,0,0|1,1,0]=4 11938 B13R1.16 CCCNCc1cccc(c1F)O 271570a_203496583355_200012662976 [0,2,0,0,0,0|1,1,0]=4 11939 B13R1.16 CCCNCc1cccc(c1F)O 34a_100025773512_100000210303 [0,2,0,0,0,0|1,1,0]=4 11940 B13R1.16 CCCNCc1cccc(c1I)F 207a_100020643023_100010186293 [0,2,0,0,0,0|1,1,0]=4 11941 B13R1.16 CCCNCc1cccc(c1I)F 270004a_100020643023_100010186293 [0,2,0,0,0,0|1,1,0]=4 11942 B13R1.16 CCCNCc1cccc(c1O)C 34a_100020639391_100000210303 [0,2,0,0,0,0|2,0,0]=4 11943 B13R1.16 CCCNCc1ccnc(c1Cl)Br 270004a_100020643023_100010171661 [0,2,0,0,0,0|2,0,0]=4 11944 B13R1.16 CCCNCc1ccnc(c1Cl)F 270004a_100020643023_100009856171 [0,2,0,0,0,0|2,0,0]=4 11945 B13R1.16 CCCNCc1cncc(c1Cl)Br 207a_100020643023_100010173560 [0,2,0,0,0,0|2,0,0]=4 11946 B13R1.16 CCCOCc1cccc(c1Br)C 34a_100000210258_200012349612 [0,2,0,0,0,0|1,1,0]=4 11947 B13R1.16 CCCOCc1cccc(c1Br)C 34a_100011659289_100000210303 [0,2,0,0,0,0|1,1,0]=4 11948 B13R1.16 CCCOCc1cccc(c1Br)C 7a_100011659289_100000210303 [0,2,0,0,0,0|1,1,0]=4 11949 B13R1.16 CCCOCc1cccc(c1Br)Cl 34a_100000210258_100010145525 [0,2,0,0,0,0|1,1,0]=4 11950 B13R1.16 CCCOCc1cccc(c1Br)Cl 34a_100010168166_100000210303 [0,2,0,0,0,0|1,1,0]=4 11951 B13R1.16 CCCOCc1cccc(c1Br)Cl 7a_100010168166_100000210303 [0,2,0,0,0,0|1,1,0]=4 11952 B13R1.16 CCCOCc1cccc(c1Br)F 34a_100000210258_100012351116 [0,2,0,0,0,0|1,1,0]=4 11953 B13R1.16 CCCOCc1cccc(c1Br)F 34a_100012351117_100000210303 [0,2,0,0,0,0|1,1,0]=4 11954 B13R1.16 CCCOCc1cccc(c1Br)F 7a_100012351117_100000210303 [0,2,0,0,0,0|1,1,0]=4 11955 B13R1.16 CCCOCc1cccc(c1Br)I 34a_100000210258_100010254545 [0,2,0,0,0,0|1,1,0]=4 11956 B13R1.16 CCCOCc1cccc(c1Br)I 34a_100010240205_100000210303 [0,2,0,0,0,0|1,1,0]=4 11957 B13R1.16 CCCOCc1cccc(c1Br)I 7a_100010240205_100000210303 [0,2,0,0,0,0|1,1,0]=4 11958 B13R1.16 CCCOCc1cccc(c1C)Br 34a_100000210258_100000694682 [0,2,0,0,0,0|2,0,0]=4 11959 B13R1.16 CCCOCc1cccc(c1C)Br 34a_100000694458_100000210303 [0,2,0,0,0,0|2,0,0]=4 11960 B13R1.16 CCCOCc1cccc(c1C)Br 7a_100000694458_100000210303 [0,2,0,0,0,0|2,0,0]=4 11961 B13R1.16 CCCOCc1cccc(c1C)C 34a_100000210258_100011273979 [0,2,0,0,0,0|2,0,0]=4 11962 B13R1.16 CCCOCc1cccc(c1C)C 34a_100011219135_100000210303 [0,2,0,0,0,0|2,0,0]=4 11963 B13R1.16 CCCOCc1cccc(c1C)C 7a_100011219135_100000210303 [0,2,0,0,0,0|2,0,0]=4 11964 B13R1.16 CCCOCc1cccc(c1C)Cl 34a_100000210258_100012186920 [0,2,0,0,0,0|2,0,0]=4 11965 B13R1.16 CCCOCc1cccc(c1C)Cl 34a_100012000165_100000210303 [0,2,0,0,0,0|2,0,0]=4 11966 B13R1.16 CCCOCc1cccc(c1C)Cl 7a_100012000165_100000210303 [0,2,0,0,0,0|2,0,0]=4 11967 B13R1.16 CCCOCc1cccc(c1C)F 34a_100000042775_100000210303 [0,2,0,0,0,0|2,0,0]=4 11968 B13R1.16 CCCOCc1cccc(c1C)F 34a_100000210258_100009813626 [0,2,0,0,0,0|2,0,0]=4 11969 B13R1.16 CCCOCc1cccc(c1C)F 7a_100000042775_100000210303 [0,2,0,0,0,0|2,0,0]=4 11970 B13R1.16 CCCOCc1cccc(c1C)I 34a_100000210258_100010150147 [0,2,0,0,0,0|2,0,0]=4 11971 B13R1.16 CCCOCc1cccc(c1C)I 34a_100010150139_100000210303 [0,2,0,0,0,0|2,0,0]=4 11972 B13R1.16 CCCOCc1cccc(c1C)I 7a_100010150139_100000210303 [0,2,0,0,0,0|2,0,0]=4 11973 B13R1.16 CCCOCc1cccc(c1C)N 34a_102495339961_100000210303 [0,2,0,0,0,0|2,0,0]=4 11974 B13R1.16 CCCOCc1cccc(c1C)N 7a_102495339961_100000210303 [0,2,0,0,0,0|2,0,0]=4 11975 B13R1.16 CCCOCc1cccc(c1Cl)Br 34a_100000210258_100012349491 [0,2,0,0,0,0|1,0,0]=3 11976 B13R1.16 CCCOCc1cccc(c1Cl)Br 34a_100012351182_100000210303 [0,2,0,0,0,0|1,0,0]=3 11977 B13R1.16 CCCOCc1cccc(c1Cl)Br 7a_100012351182_100000210303 [0,2,0,0,0,0|1,0,0]=3 11978 B13R1.16 CCCOCc1cccc(c1Cl)C 34a_100000710031_100000210303 [0,2,0,0,0,0|1,0,0]=3 11979 B13R1.16 CCCOCc1cccc(c1Cl)C 7a_100000710031_100000210303 [0,2,0,0,0,0|1,0,0]=3 11980 B13R1.16 CCCOCc1cccc(c1Cl)Cl 34a_100000210258_100000723366 [0,2,0,0,0,0|1,0,0]=3 11981 B13R1.16 CCCOCc1cccc(c1Cl)Cl 34a_100000720469_100000210303 [0,2,0,0,0,0|1,0,0]=3 11982 B13R1.16 CCCOCc1cccc(c1Cl)Cl 7a_100000720469_100000210303 [0,2,0,0,0,0|1,0,0]=3 11983 B13R1.16 CCCOCc1cccc(c1Cl)F 34a_100000210258_100000696688 [0,2,0,0,0,0|1,0,0]=3 11984 B13R1.16 CCCOCc1cccc(c1Cl)F 34a_100000696319_100000210303 [0,2,0,0,0,0|1,0,0]=3 11985 B13R1.16 CCCOCc1cccc(c1Cl)F 7a_100000696319_100000210303 [0,2,0,0,0,0|1,0,0]=3 11986 B13R1.16 CCCOCc1cccc(c1F)Br 34a_100000210258_100012356506 [0,2,0,0,0,0|1,1,0]=4 11987 B13R1.16 CCCOCc1cccc(c1F)Br 34a_100011935076_100000210303 [0,2,0,0,0,0|1,1,0]=4 11988 B13R1.16 CCCOCc1cccc(c1F)Br 7a_100011935076_100000210303 [0,2,0,0,0,0|1,1,0]=4 11989 B13R1.16 CCCOCc1cccc(c1F)C 34a_100000210258_100011216058 [0,2,0,0,0,0|1,1,0]=4 11990 B13R1.16 CCCOCc1cccc(c1F)C 34a_200011219517_100000210303 [0,2,0,0,0,0|1,1,0]=4 11991 B13R1.16 CCCOCc1cccc(c1F)C 7a_200011219517_100000210303 [0,2,0,0,0,0|1,1,0]=4 11992 B13R1.16 CCCOCc1cccc(c1F)Cl 34a_100000210258_100000716733 [0,2,0,0,0,0|1,1,0]=4 11993 B13R1.16 CCCOCc1cccc(c1F)Cl 34a_100011216988_100000210303 [0,2,0,0,0,0|1,1,0]=4 11994 B13R1.16 CCCOCc1cccc(c1F)Cl 7a_100011216988_100000210303 [0,2,0,0,0,0|1,1,0]=4 11995 B13R1.16 CCCOCc1cccc(c1F)F 34a_100000210258_100000217499 [0,2,0,0,0,0|1,1,0]=4 11996 B13R1.16 CCCOCc1cccc(c1F)F 34a_100011218644_100000210303 [0,2,0,0,0,0|1,1,0]=4 11997 B13R1.16 CCCOCc1cccc(c1F)F 7a_100011218644_100000210303 [0,2,0,0,0,0|1,1,0]=4 11998 B13R1.16 CCCOCc1cccc(c1F)I 34a_200010235739_100000210303 [0,2,0,0,0,0|1,1,0]=4 11999 B13R1.16 CCCOCc1cccc(c1F)I 7a_200010235739_100000210303 [0,2,0,0,0,0|1,1,0]=4 12000 B13R1.16 CCCOCc1cccc(c1F)N 34a_100012023829_100000210303 [0,2,0,0,0,0|1,1,0]=4 12001 B13R1.16 CCCOCc1cccc(c1I)Br 34a_100010146604_100000210303 [0,2,0,0,0,0|1,1,0]=4 12002 B13R1.16 CCCOCc1cccc(c1I)Br 7a_100010146604_100000210303 [0,2,0,0,0,0|1,1,0]=4 12003 B13R1.16 CCCOCc1cccc(c1I)C 34a_100012349780_100000210303 [0,2,0,0,0,0|1,1,0]=4 12004 B13R1.16 CCCOCc1cccc(c1I)C 7a_100012349780_100000210303 [0,2,0,0,0,0|1,1,0]=4 12005 B13R1.16 CCCOCc1cccc(c1I)F 34a_100000210258_100010149603 [0,2,0,0,0,0|1,1,0]=4 12006 B13R1.16 CCCOCc1cccc(c1I)F 34a_100000692438_100000210303 [0,2,0,0,0,0|1,1,0]=4 12007 B13R1.16 CCCOCc1cccc(c1I)F 7a_100000692438_100000210303 [0,2,0,0,0,0|1,1,0]=4 12008 B13R1.16 CCCOCc1cccc(c1N)Br 34a_100012349457_100000210303 [0,2,0,0,0,0|2,0,0]=4 12009 B13R1.16 CCCOCc1cccc(c1N)C 34a_100011215590_100000210303 [0,2,0,0,0,0|2,0,0]=4 12010 B13R1.16 CCCOCc1cccc(c1N)Cl 34a_100012182729_100000210303 [0,2,0,0,0,0|2,0,0]=4 12011 B13R1.16 CCCOCc1cccc(c1N)F 34a_100000692437_100000210303 [0,2,0,0,0,0|2,0,0]=4 12012 B13R1.16 CCCSCc1cccc(c1Br)C 62a_100000210303_200012349612 [0,2,0,0,0,0|1,1,0]=4 12013 B13R1.16 CCCSCc1cccc(c1Br)C 62a_200012349612_100000210303 [0,2,0,0,0,0|1,1,0]=4 12014 B13R1.16 CCCSCc1cccc(c1Br)Cl 62a_100000210303_100010145525 [0,2,0,0,0,0|1,1,0]=4 12015 B13R1.16 CCCSCc1cccc(c1Br)Cl 62a_100010145525_100000210303 [0,2,0,0,0,0|1,1,0]=4 12016 B13R1.16 CCCSCc1cccc(c1Br)F 62a_100000210303_100012351116 [0,2,0,0,0,0|1,1,0]=4 12017 B13R1.16 CCCSCc1cccc(c1Br)F 62a_100012351116_100000210303 [0,2,0,0,0,0|1,1,0]=4 12018 B13R1.16 CCCSCc1cccc(c1Br)I 62a_100000210303_100010254545 [0,2,0,0,0,0|1,1,0]=4 12019 B13R1.16 CCCSCc1cccc(c1Br)I 62a_100010254545_100000210303 [0,2,0,0,0,0|1,1,0]=4 12020 B13R1.16 CCCSCc1cccc(c1C)Br 62a_100000210303_100000694682 [0,2,0,0,0,0|2,0,0]=4 12021 B13R1.16 CCCSCc1cccc(c1C)Br 62a_100000694682_100000210303 [0,2,0,0,0,0|2,0,0]=4 12022 B13R1.16 CCCSCc1cccc(c1C)C 62a_100000210303_100011515928 [0,2,0,0,0,0|2,0,0]=4 12023 B13R1.16 CCCSCc1cccc(c1C)C 62a_100011515928_100000210303 [0,2,0,0,0,0|2,0,0]=4 12024 B13R1.16 CCCSCc1cccc(c1C)Cl 62a_100000210303_100012186920 [0,2,0,0,0,0|2,0,0]=4 12025 B13R1.16 CCCSCc1cccc(c1C)Cl 62a_100012186920_100000210303 [0,2,0,0,0,0|2,0,0]=4 12026 B13R1.16 CCCSCc1cccc(c1C)F 62a_100000210303_100009813626 [0,2,0,0,0,0|2,0,0]=4 12027 B13R1.16 CCCSCc1cccc(c1C)F 62a_100009813626_100000210303 [0,2,0,0,0,0|2,0,0]=4 12028 B13R1.16 CCCSCc1cccc(c1C)I 62a_100000210303_100010150147 [0,2,0,0,0,0|2,0,0]=4 12029 B13R1.16 CCCSCc1cccc(c1C)I 62a_100010150147_100000210303 [0,2,0,0,0,0|2,0,0]=4 12030 B13R1.16 CCCSCc1cccc(c1Cl)Br 62a_100000210303_100012349491 [0,2,0,0,0,0|1,0,0]=3 12031 B13R1.16 CCCSCc1cccc(c1Cl)Br 62a_100012349491_100000210303 [0,2,0,0,0,0|1,0,0]=3 12032 B13R1.16 CCCSCc1cccc(c1Cl)Cl 62a_100000210303_100000723366 [0,2,0,0,0,0|1,0,0]=3 12033 B13R1.16 CCCSCc1cccc(c1Cl)Cl 62a_100000720918_100000210303 [0,2,0,0,0,0|1,0,0]=3 12034 B13R1.16 CCCSCc1cccc(c1Cl)F 62a_100000210303_100000696688 [0,2,0,0,0,0|1,0,0]=3 12035 B13R1.16 CCCSCc1cccc(c1Cl)F 62a_100000696688_100000210303 [0,2,0,0,0,0|1,0,0]=3 12036 B13R1.16 CCCSCc1cccc(c1F)Br 62a_100000210303_100012356506 [0,2,0,0,0,0|1,1,0]=4 12037 B13R1.16 CCCSCc1cccc(c1F)Br 62a_100012356506_100000210303 [0,2,0,0,0,0|1,1,0]=4 12038 B13R1.16 CCCSCc1cccc(c1F)C 62a_100000210303_100011216058 [0,2,0,0,0,0|1,1,0]=4 12039 B13R1.16 CCCSCc1cccc(c1F)C 62a_100011216058_100000210303 [0,2,0,0,0,0|1,1,0]=4 12040 B13R1.16 CCCSCc1cccc(c1F)Cl 62a_100000210303_100000716733 [0,2,0,0,0,0|1,1,0]=4 12041 B13R1.16 CCCSCc1cccc(c1F)Cl 62a_100000716733_100000210303 [0,2,0,0,0,0|1,1,0]=4 12042 B13R1.16 CCCSCc1cccc(c1F)F 62a_100000210303_100000217499 [0,2,0,0,0,0|1,1,0]=4 12043 B13R1.16 CCCSCc1cccc(c1F)F 62a_100000217499_100000210303 [0,2,0,0,0,0|1,1,0]=4 12044 B13R1.16 CCCSCc1cccc(c1I)F 62a_100000210303_100010149603 [0,2,0,0,0,0|1,1,0]=4 12045 B13R1.16 CCCSCc1cccc(c1I)F 62a_100010149603_100000210303 [0,2,0,0,0,0|1,1,0]=4 12046 B13R1.16 CCNCCc1cccc(c1C)Br 2230a_100161000114_100000210202 [0,2,0,0,0,0|1,0,0]=3 12047 B13R1.16 CCNCCc1cccc(c1C)Br 34a_100161000114_100000210202 [0,2,0,0,0,0|1,0,0]=3 12048 B13R1.16 CCNCCc1cccc(c1Cl)Cl 2230a_100000741019_100000210202 [0,2,0,0,0,0|0,0,0]=2 12049 B13R1.16 CCNCCc1cccc(c1Cl)Cl 2230a_100015525214_100000723033 [0,2,0,0,0,0|0,0,0]=2 12050 B13R1.16 CCNCCc1cccc(c1Cl)Cl 34a_100000741019_100000210202 [0,2,0,0,0,0|0,0,0]=2 12051 B13R1.16 CCNN=Cc1cccc(c1Cl)Br 4a_100000756455_100012362481 [0,2,0,0,0,0|1,0,1]=4 12052 B13R1.16 CCNN=Cc1cccc(c1Cl)C 4a_100000756455_100012017286 [0,2,0,0,0,0|1,0,1]=4 12053 B13R1.16 CCNN=Cc1cccc(c1Cl)Cl 4a_100000756455_100000210504 [0,2,0,0,0,0|1,0,1]=4 12054 B13R1.16 CCNN=Cc1cccc(c1Cl)F 4a_100000756455_100011998484 [0,2,0,0,0,0|1,0,1]=4 12055 B13R1.16 CCNN=Cc1cccc(c1Cl)O 4a_100000756455_100000050521 [0,2,0,0,0,0|1,0,1]=4 12056 B13R1.16 CCOCCc1cccc(c1Cl)Cl 34a_100011754357_100000210202 [0,2,0,0,0,0|1,0,0]=3 12057 B13R1.16 CCOCCc1cccc(c1Cl)Cl 34a_100121572206_100000723033 [0,2,0,0,0,0|1,0,0]=3 12058 B13R1.16 CCOCCc1cccc(c1Cl)Cl 7a_100011754357_100000210202 [0,2,0,0,0,0|1,0,0]=3 12059 B13R1.16 CCOCCc1cccc(c1F)Cl 34a_100011830271_100000210202 [0,2,0,0,0,0|1,1,0]=4 12060 B13R1.16 CCOCCc1cccc(c1F)Cl 7a_100011830271_100000210202 [0,2,0,0,0,0|1,1,0]=4 12061 B13R1.16 CCOCCc1cccc(c1F)F 34a_100000698707_100000210202 [0,2,0,0,0,0|1,1,0]=4 12062 B13R1.16 CCOCCc1cccc(c1F)F 7a_100000698707_100000210202 [0,2,0,0,0,0|1,1,0]=4 12063 B13R1.16 CCOCSc1cccc(c1Cl)Br 62a_100000739092_100010142854 [0,2,0,0,0,0|2,0,0]=4 12064 B13R1.16 CCOCSc1cccc(c1Cl)Br 62a_100010142854_100000739092 [0,2,0,0,0,0|2,0,0]=4 12065 B13R1.16 CCOCSc1cccc(c1Cl)C 62a_100000739092_200012352035 [0,2,0,0,0,0|2,0,0]=4 12066 B13R1.16 CCOCSc1cccc(c1Cl)C 62a_200012352035_100000739092 [0,2,0,0,0,0|2,0,0]=4 12067 B13R1.16 CCOCSc1cccc(c1Cl)Cl 62a_100000739092_100011215384 [0,2,0,0,0,0|2,0,0]=4 12068 B13R1.16 CCOCSc1cccc(c1Cl)Cl 62a_100011215384_100000739092 [0,2,0,0,0,0|2,0,0]=4 12069 B13R1.16 CCOCSc1cccc(c1Cl)F 62a_100000739092_200010234923 [0,2,0,0,0,0|2,0,0]=4 12070 B13R1.16 CCOCSc1cccc(c1Cl)F 62a_200010234923_100000739092 [0,2,0,0,0,0|2,0,0]=4 12071 B13R1.16 CCOCSc1cccc(c1Cl)O 62a_100000739092_100000049636 [0,2,0,0,0,0|2,0,0]=4 12072 B13R1.16 CCSCCc1cccc(c1Cl)Cl 62a_100000210202_100000723033 [0,2,0,0,0,0|1,0,0]=3 12073 B13R1.16 CCSCCc1cccc(c1Cl)Cl 62a_100000723033_100000210202 [0,2,0,0,0,0|1,0,0]=3 12074 B13R1.16 COCC=Cc1cccc(c1Cl)Br 271570a_100016286323_100010142854 [0,2,0,0,0,0|1,0,1]=4 12075 B13R1.16 COCC=Cc1cccc(c1Cl)C 271570a_100016286323_200012352035 [0,2,0,0,0,0|1,0,1]=4 12076 B13R1.16 COCC=Cc1cccc(c1Cl)Cl 271570a_100016286323_100011215384 [0,2,0,0,0,0|1,0,1]=4 12077 B13R1.16 COCC=Cc1cccc(c1Cl)F 271570a_100016286323_200010234923 [0,2,0,0,0,0|1,0,1]=4 12078 B13R1.16 COCC=Cc1cccc(c1Cl)O 271570a_100016286323_100000049636 [0,2,0,0,0,0|1,0,1]=4 12079 B13R1.16 COCCNc1cccc(c1Br)C 34a_100000684715_100011201679 [0,2,0,0,0,0|1,1,0]=4 12080 B13R1.16 COCCNc1cccc(c1Br)Cl 34a_100000687072_100011201679 [0,2,0,0,0,0|1,1,0]=4 12081 B13R1.16 COCCNc1cccc(c1Br)F 34a_100011934729_100011201679 [0,2,0,0,0,0|1,1,0]=4 12082 B13R1.16 COCCNc1cccc(c1Br)O 34a_100012183704_100011201679 [0,2,0,0,0,0|1,1,0]=4 12083 B13R1.16 COCCNc1cccc(c1Br)O 7a_100012183704_100000233755 [0,2,0,0,0,0|1,1,0]=4 12084 B13R1.16 COCCNc1cccc(c1C)Br 34a_100000750434_100011201679 [0,2,0,0,0,0|2,0,0]=4 12085 B13R1.16 COCCNc1cccc(c1C)C 2230a_100000210026_100011201679 [0,2,0,0,0,0|2,0,0]=4 12086 B13R1.16 COCCNc1cccc(c1C)C 34a_100000210026_100011201679 [0,2,0,0,0,0|2,0,0]=4 12087 B13R1.16 COCCNc1cccc(c1C)C 7a_100000210026_100000233755 [0,2,0,0,0,0|2,0,0]=4 12088 B13R1.16 COCCNc1cccc(c1C)Cl 2230a_100000210441_100011201679 [0,2,0,0,0,0|2,0,0]=4 12089 B13R1.16 COCCNc1cccc(c1C)Cl 34a_100000210441_100011201679 [0,2,0,0,0,0|2,0,0]=4 12090 B13R1.16 COCCNc1cccc(c1C)Cl 7a_100000210441_100000233755 [0,2,0,0,0,0|2,0,0]=4 12091 B13R1.16 COCCNc1cccc(c1C)F 34a_100000745574_100011201679 [0,2,0,0,0,0|2,0,0]=4 12092 B13R1.16 COCCNc1cccc(c1C)F 7a_100000745574_100000233755 [0,2,0,0,0,0|2,0,0]=4 12093 B13R1.16 COCCNc1cccc(c1C)I 34a_100000761887_100011201679 [0,2,0,0,0,0|2,0,0]=4 12094 B13R1.16 COCCNc1cccc(c1C)O 34a_100011216573_100011201679 [0,2,0,0,0,0|2,0,0]=4 12095 B13R1.16 COCCNc1cccc(c1C)O 7a_100011216573_100000233755 [0,2,0,0,0,0|2,0,0]=4 12096 B13R1.16 COCCNc1cccc(c1Cl)Br 34a_100000687075_100011201679 [0,2,0,0,0,0|1,0,0]=3 12097 B13R1.16 COCCNc1cccc(c1Cl)C 34a_100000765562_100011201679 [0,2,0,0,0,0|1,0,0]=3 12098 B13R1.16 COCCNc1cccc(c1Cl)C 7a_100000765562_100000233755 [0,2,0,0,0,0|1,0,0]=3 12099 B13R1.16 COCCNc1cccc(c1Cl)Cl 34a_100000185733_100011201679 [0,2,0,0,0,0|1,0,0]=3 12100 B13R1.16 COCCNc1cccc(c1Cl)F 34a_100000692321_100011201679 [0,2,0,0,0,0|1,0,0]=3 12101 B13R1.16 COCCNc1cccc(c1Cl)O 34a_100012002038_100011201679 [0,2,0,0,0,0|1,0,0]=3 12102 B13R1.16 COCCNc1cccc(c1Cl)O 7a_100012002038_100000233755 [0,2,0,0,0,0|1,0,0]=3 12103 B13R1.16 COCCNc1cccc(c1F)Br 2230a_100011935091_100011201679 [0,2,0,0,0,0|1,1,0]=4 12104 B13R1.16 COCCNc1cccc(c1F)Br 34a_100011935091_100011201679 [0,2,0,0,0,0|1,1,0]=4 12105 B13R1.16 COCCNc1cccc(c1F)C 2230a_100000697159_100011201679 [0,2,0,0,0,0|1,1,0]=4 12106 B13R1.16 COCCNc1cccc(c1F)C 34a_100000697159_100011201679 [0,2,0,0,0,0|1,1,0]=4 12107 B13R1.16 COCCNc1cccc(c1F)C 7a_100000697159_100000233755 [0,2,0,0,0,0|1,1,0]=4 12108 B13R1.16 COCCNc1cccc(c1F)Cl 2230a_100000199060_100011201679 [0,2,0,0,0,0|1,1,0]=4 12109 B13R1.16 COCCNc1cccc(c1F)Cl 34a_100000199060_100011201679 [0,2,0,0,0,0|1,1,0]=4 12110 B13R1.16 COCCNc1cccc(c1F)F 34a_100000743855_100011201679 [0,2,0,0,0,0|1,1,0]=4 12111 B13R1.16 COCCNc1cccc(c1I)Br 34a_100020590159_100011201679 [0,2,0,0,0,0|1,1,0]=4 12112 B13R1.16 COCCNc1cccc(c1I)C 34a_100000761888_100011201679 [0,2,0,0,0,0|1,1,0]=4 12113 B13R1.16 COCCNc1cccc(c1I)Cl 34a_100000049713_100011201679 [0,2,0,0,0,0|1,1,0]=4 12114 B13R1.16 COCCNc1cccc(c1I)F 34a_100000690935_100011201679 [0,2,0,0,0,0|1,1,0]=4 12115 B13R1.16 COCCNc1cccc(c1O)Br 34a_100011934915_100011201679 [0,2,0,0,0,0|2,0,0]=4 12116 B13R1.16 COCCNc1cccc(c1O)C 34a_100000756359_100011201679 [0,2,0,0,0,0|2,0,0]=4 12117 B13R1.16 COCCNc1cccc(c1O)Cl 34a_100000754742_100011201679 [0,2,0,0,0,0|2,0,0]=4 12118 B13R1.16 COCCNc1cccc(c1O)F 34a_100011934987_100011201679 [0,2,0,0,0,0|2,0,0]=4 12119 B13R1.16 COCCNc1ccnc(c1Cl)C 27a_100000209980_100000698670 [0,2,0,0,0,0|2,0,0]=4 12120 B13R1.16 COCCNc1ccnc(c1Cl)F 27a_100000209980_100010067886 [0,2,0,0,0,0|2,0,0]=4 12121 B13R1.16 COCCOc1cccc(c1Br)Br 34a_100010187966_100011201679 [0,2,0,0,0,0|1,1,0]=4 12122 B13R1.16 COCCOc1cccc(c1Br)Br 7a_100010187966_100000233755 [0,2,0,0,0,0|1,1,0]=4 12123 B13R1.16 COCCOc1cccc(c1Br)C 34a_100000686692_100011201679 [0,2,0,0,0,0|1,1,0]=4 12124 B13R1.16 COCCOc1cccc(c1Br)C 7a_100000686692_100000233755 [0,2,0,0,0,0|1,1,0]=4 12125 B13R1.16 COCCOc1cccc(c1Br)Cl 34a_100012348804_100011201679 [0,2,0,0,0,0|1,1,0]=4 12126 B13R1.16 COCCOc1cccc(c1Br)Cl 7a_100012348804_100000233755 [0,2,0,0,0,0|1,1,0]=4 12127 B13R1.16 COCCOc1cccc(c1Br)F 34a_100009820682_100011201679 [0,2,0,0,0,0|1,1,0]=4 12128 B13R1.16 COCCOc1cccc(c1Br)F 7a_100009820682_100000233755 [0,2,0,0,0,0|1,1,0]=4 12129 B13R1.16 COCCOc1cccc(c1Br)I 34a_100010187914_100011201679 [0,2,0,0,0,0|1,1,0]=4 12130 B13R1.16 COCCOc1cccc(c1Br)I 7a_100010187914_100000233755 [0,2,0,0,0,0|1,1,0]=4 12131 B13R1.16 COCCOc1cccc(c1Br)N 34a_100012183704_100011201679 [0,2,0,0,0,0|1,1,0]=4 12132 B13R1.16 COCCOc1cccc(c1Br)N 7a_100012183704_100000233755 [0,2,0,0,0,0|1,1,0]=4 12133 B13R1.16 COCCOc1cccc(c1C)Br 34a_100012002258_100011201679 [0,2,0,0,0,0|2,0,0]=4 12134 B13R1.16 COCCOc1cccc(c1C)Br 7a_100012002258_100000233755 [0,2,0,0,0,0|2,0,0]=4 12135 B13R1.16 COCCOc1cccc(c1C)C 34a_100000185855_100011201679 [0,2,0,0,0,0|2,0,0]=4 12136 B13R1.16 COCCOc1cccc(c1C)C 7a_100000185855_100000233755 [0,2,0,0,0,0|2,0,0]=4 12137 B13R1.16 COCCOc1cccc(c1C)Cl 34a_100011265684_100011201679 [0,2,0,0,0,0|2,0,0]=4 12138 B13R1.16 COCCOc1cccc(c1C)Cl 7a_100011265684_100000233755 [0,2,0,0,0,0|2,0,0]=4 12139 B13R1.16 COCCOc1cccc(c1C)F 34a_100011217231_100011201679 [0,2,0,0,0,0|2,0,0]=4 12140 B13R1.16 COCCOc1cccc(c1C)F 7a_100011217231_100000233755 [0,2,0,0,0,0|2,0,0]=4 12141 B13R1.16 COCCOc1cccc(c1C)N 34a_100011216573_100011201679 [0,2,0,0,0,0|2,0,0]=4 12142 B13R1.16 COCCOc1cccc(c1C)N 7a_100011216573_100000233755 [0,2,0,0,0,0|2,0,0]=4 12143 B13R1.16 COCCOc1cccc(c1Cl)Br 34a_100010187913_100011201679 [0,2,0,0,0,0|1,0,0]=3 12144 B13R1.16 COCCOc1cccc(c1Cl)Br 7a_100010187913_100000233755 [0,2,0,0,0,0|1,0,0]=3 12145 B13R1.16 COCCOc1cccc(c1Cl)C 34a_100000695629_100011201679 [0,2,0,0,0,0|1,0,0]=3 12146 B13R1.16 COCCOc1cccc(c1Cl)C 7a_100000695629_100000233755 [0,2,0,0,0,0|1,0,0]=3 12147 B13R1.16 COCCOc1cccc(c1Cl)Cl 34a_100000211076_100011201679 [0,2,0,0,0,0|1,0,0]=3 12148 B13R1.16 COCCOc1cccc(c1Cl)Cl 7a_100000211076_100000233755 [0,2,0,0,0,0|1,0,0]=3 12149 B13R1.16 COCCOc1cccc(c1Cl)F 34a_100000087408_100011201679 [0,2,0,0,0,0|1,0,0]=3 12150 B13R1.16 COCCOc1cccc(c1Cl)F 7a_100000087408_100000233755 [0,2,0,0,0,0|1,0,0]=3 12151 B13R1.16 COCCOc1cccc(c1Cl)I 34a_100000049636_100011201679 [0,2,0,0,0,0|1,0,0]=3 12152 B13R1.16 COCCOc1cccc(c1Cl)I 7a_100000049636_100000233755 [0,2,0,0,0,0|1,0,0]=3 12153 B13R1.16 COCCOc1cccc(c1Cl)N 34a_100012002038_100011201679 [0,2,0,0,0,0|1,0,0]=3 12154 B13R1.16 COCCOc1cccc(c1Cl)N 7a_100012002038_100000233755 [0,2,0,0,0,0|1,0,0]=3 12155 B13R1.16 COCCOc1cccc(c1F)Br 34a_100009817021_100011201679 [0,2,0,0,0,0|1,1,0]=4 12156 B13R1.16 COCCOc1cccc(c1F)Br 7a_100009817021_100000233755 [0,2,0,0,0,0|1,1,0]=4 12157 B13R1.16 COCCOc1cccc(c1F)C 34a_100000751311_100011201679 [0,2,0,0,0,0|1,1,0]=4 12158 B13R1.16 COCCOc1cccc(c1F)C 7a_100000751311_100000233755 [0,2,0,0,0,0|1,1,0]=4 12159 B13R1.16 COCCOc1cccc(c1F)Cl 34a_100000687438_100011201679 [0,2,0,0,0,0|1,1,0]=4 12160 B13R1.16 COCCOc1cccc(c1F)Cl 7a_100000687438_100000233755 [0,2,0,0,0,0|1,1,0]=4 12161 B13R1.16 COCCOc1cccc(c1F)F 34a_100000751161_100011201679 [0,2,0,0,0,0|1,1,0]=4 12162 B13R1.16 COCCOc1cccc(c1F)F 7a_100000751161_100000233755 [0,2,0,0,0,0|1,1,0]=4 12163 B13R1.16 COCCOc1cccc(c1I)Br 34a_100010187912_100011201679 [0,2,0,0,0,0|1,1,0]=4 12164 B13R1.16 COCCOc1cccc(c1I)Br 7a_100010187912_100000233755 [0,2,0,0,0,0|1,1,0]=4 12165 B13R1.16 COCCOc1cccc(c1I)C 34a_100010083724_100011201679 [0,2,0,0,0,0|1,1,0]=4 12166 B13R1.16 COCCOc1cccc(c1I)C 7a_100010083724_100000233755 [0,2,0,0,0,0|1,1,0]=4 12167 B13R1.16 COCCOc1cccc(c1I)Cl 34a_100000050174_100011201679 [0,2,0,0,0,0|1,1,0]=4 12168 B13R1.16 COCCOc1cccc(c1I)Cl 7a_100000050174_100000233755 [0,2,0,0,0,0|1,1,0]=4 12169 B13R1.16 COCCOc1cccc(c1I)F 34a_100000690913_100011201679 [0,2,0,0,0,0|1,1,0]=4 12170 B13R1.16 COCCOc1cccc(c1I)F 7a_100000690913_100000233755 [0,2,0,0,0,0|1,1,0]=4 12171 B13R1.16 COCCOc1cccc(c1N)Br 34a_100011934926_100011201679 [0,2,0,0,0,0|2,0,0]=4 12172 B13R1.16 COCCOc1cccc(c1N)Br 7a_100011934926_100000233755 [0,2,0,0,0,0|2,0,0]=4 12173 B13R1.16 COCCOc1cccc(c1N)C 34a_100000743429_100011201679 [0,2,0,0,0,0|2,0,0]=4 12174 B13R1.16 COCCOc1cccc(c1N)C 7a_100000743429_100000233755 [0,2,0,0,0,0|2,0,0]=4 12175 B13R1.16 COCCOc1cccc(c1N)Cl 34a_100012022510_100011201679 [0,2,0,0,0,0|2,0,0]=4 12176 B13R1.16 COCCOc1cccc(c1N)Cl 7a_100012022510_100000233755 [0,2,0,0,0,0|2,0,0]=4 12177 B13R1.16 COCCOc1cccc(c1N)F 34a_100020591140_100011201679 [0,2,0,0,0,0|2,0,0]=4 12178 B13R1.16 COCCOc1cccc(c1N)F 7a_100020591140_100000233755 [0,2,0,0,0,0|2,0,0]=4 12179 B13R1.16 COCCOc1cccc(c1N)I 34a_200000049512_100011201679 [0,2,0,0,0,0|2,0,0]=4 12180 B13R1.16 COCCOc1cccc(c1N)I 7a_200000049512_100000233755 [0,2,0,0,0,0|2,0,0]=4 12181 B13R1.16 COCCOc1cccc(c1N)N 34a_100000033209_100011201679 [0,2,0,0,0,0|2,0,0]=4 12182 B13R1.16 COCCOc1ccnc(c1Cl)Cl 34a_100009860235_100011201679 [0,2,0,0,0,0|2,0,0]=4 12183 B13R1.16 COCCOc1nccc(c1Cl)N 34a_200000093555_100011201679 [0,2,0,0,0,0|2,0,0]=4 12184 B13R1.16 COCCSc1cccc(c1Br)Br 62a_100000233755_100010175083 [0,2,0,0,0,0|1,1,0]=4 12185 B13R1.16 COCCSc1cccc(c1Br)Br 62a_100010175083_100000233755 [0,2,0,0,0,0|1,1,0]=4 12186 B13R1.16 COCCSc1cccc(c1Br)C 62a_100000233755_100012362457 [0,2,0,0,0,0|1,1,0]=4 12187 B13R1.16 COCCSc1cccc(c1Br)C 62a_100012362457_100000233755 [0,2,0,0,0,0|1,1,0]=4 12188 B13R1.16 COCCSc1cccc(c1Br)Cl 62a_100000233755_100014021842 [0,2,0,0,0,0|1,1,0]=4 12189 B13R1.16 COCCSc1cccc(c1Br)Cl 62a_100014021842_100000233755 [0,2,0,0,0,0|1,1,0]=4 12190 B13R1.16 COCCSc1cccc(c1Br)F 62a_100000233755_100010202630 [0,2,0,0,0,0|1,1,0]=4 12191 B13R1.16 COCCSc1cccc(c1Br)F 62a_100010202630_100000233755 [0,2,0,0,0,0|1,1,0]=4 12192 B13R1.16 COCCSc1cccc(c1Br)O 62a_100000233755_100010187914 [0,2,0,0,0,0|1,1,0]=4 12193 B13R1.16 COCCSc1cccc(c1Br)O 62a_100010187914_100000233755 [0,2,0,0,0,0|1,1,0]=4 12194 B13R1.16 COCCSc1cccc(c1C)Br 62a_100000233755_100012353703 [0,2,0,0,0,0|2,0,0]=4 12195 B13R1.16 COCCSc1cccc(c1C)Br 62a_100012353703_100000233755 [0,2,0,0,0,0|2,0,0]=4 12196 B13R1.16 COCCSc1cccc(c1C)C 62a_100000233755_100011214922 [0,2,0,0,0,0|2,0,0]=4 12197 B13R1.16 COCCSc1cccc(c1C)C 62a_100011214922_100000233755 [0,2,0,0,0,0|2,0,0]=4 12198 B13R1.16 COCCSc1cccc(c1C)Cl 62a_100000233755_100000726075 [0,2,0,0,0,0|2,0,0]=4 12199 B13R1.16 COCCSc1cccc(c1C)Cl 62a_100000726075_100000233755 [0,2,0,0,0,0|2,0,0]=4 12200 B13R1.16 COCCSc1cccc(c1C)F 62a_100000233755_100011216893 [0,2,0,0,0,0|2,0,0]=4 12201 B13R1.16 COCCSc1cccc(c1C)F 62a_100011216893_100000233755 [0,2,0,0,0,0|2,0,0]=4 12202 B13R1.16 COCCSc1cccc(c1C)N 62a_100000233755_100000761887 [0,2,0,0,0,0|2,0,0]=4 12203 B13R1.16 COCCSc1cccc(c1C)N 62a_100000761887_100000233755 [0,2,0,0,0,0|2,0,0]=4 12204 B13R1.16 COCCSc1cccc(c1C)O 62a_100000233755_100012002258 [0,2,0,0,0,0|2,0,0]=4 12205 B13R1.16 COCCSc1cccc(c1C)O 62a_100012002258_100000233755 [0,2,0,0,0,0|2,0,0]=4 12206 B13R1.16 COCCSc1cccc(c1Cl)Br 62a_100000233755_100010142854 [0,2,0,0,0,0|1,0,0]=3 12207 B13R1.16 COCCSc1cccc(c1Cl)Br 62a_100010142854_100000233755 [0,2,0,0,0,0|1,0,0]=3 12208 B13R1.16 COCCSc1cccc(c1Cl)C 62a_100000233755_200012352035 [0,2,0,0,0,0|1,0,0]=3 12209 B13R1.16 COCCSc1cccc(c1Cl)C 62a_200012352035_100000233755 [0,2,0,0,0,0|1,0,0]=3 12210 B13R1.16 COCCSc1cccc(c1Cl)Cl 34a_200010008661_200000210301 [0,2,0,0,0,0|1,0,0]=3 12211 B13R1.16 COCCSc1cccc(c1Cl)Cl 62a_100000233755_100011215384 [0,2,0,0,0,0|1,0,0]=3 12212 B13R1.16 COCCSc1cccc(c1Cl)Cl 62a_100011215384_100000233755 [0,2,0,0,0,0|1,0,0]=3 12213 B13R1.16 COCCSc1cccc(c1Cl)Cl 7a_200010008661_200000210301 [0,2,0,0,0,0|1,0,0]=3 12214 B13R1.16 COCCSc1cccc(c1Cl)F 62a_100000233755_200010234923 [0,2,0,0,0,0|1,0,0]=3 12215 B13R1.16 COCCSc1cccc(c1Cl)F 62a_200010234923_100000233755 [0,2,0,0,0,0|1,0,0]=3 12216 B13R1.16 COCCSc1cccc(c1Cl)O 62a_100000233755_100000049636 [0,2,0,0,0,0|1,0,0]=3 12217 B13R1.16 COCCSc1cccc(c1F)Br 62a_100000233755_100000702267 [0,2,0,0,0,0|1,1,0]=4 12218 B13R1.16 COCCSc1cccc(c1F)Br 62a_100000702267_100000233755 [0,2,0,0,0,0|1,1,0]=4 12219 B13R1.16 COCCSc1cccc(c1F)C 62a_100000233755_100000717567 [0,2,0,0,0,0|1,1,0]=4 12220 B13R1.16 COCCSc1cccc(c1F)C 62a_100000717567_100000233755 [0,2,0,0,0,0|1,1,0]=4 12221 B13R1.16 COCCSc1cccc(c1F)Cl 62a_100000233755_100011217346 [0,2,0,0,0,0|1,1,0]=4 12222 B13R1.16 COCCSc1cccc(c1F)Cl 62a_100011217346_100000233755 [0,2,0,0,0,0|1,1,0]=4 12223 B13R1.16 COCCSc1cccc(c1F)F 62a_100000233755_100000694657 [0,2,0,0,0,0|1,1,0]=4 12224 B13R1.16 COCCSc1cccc(c1F)F 62a_100000694657_100000233755 [0,2,0,0,0,0|1,1,0]=4 12225 B13R1.16 COCCSc1cccc(c1F)N 62a_100000233755_100011935091 [0,2,0,0,0,0|1,1,0]=4 12226 B13R1.16 COCCSc1cccc(c1F)N 62a_100011935091_100000233755 [0,2,0,0,0,0|1,1,0]=4 12227 B13R1.16 COCCSc1cccc(c1F)O 62a_100000233755_100009817021 [0,2,0,0,0,0|1,1,0]=4 12228 B13R1.16 COCCSc1cccc(c1F)O 62a_100009817021_100000233755 [0,2,0,0,0,0|1,1,0]=4 12229 B13R1.16 COCCSc1cccc(c1N)Br 62a_100000233755_100010146558 [0,2,0,0,0,0|2,0,0]=4 12230 B13R1.16 COCCSc1cccc(c1N)Br 62a_100010146558_100000233755 [0,2,0,0,0,0|2,0,0]=4 12231 B13R1.16 COCCSc1cccc(c1N)C 62a_100000233755_100011834072 [0,2,0,0,0,0|2,0,0]=4 12232 B13R1.16 COCCSc1cccc(c1N)C 62a_100011834072_100000233755 [0,2,0,0,0,0|2,0,0]=4 12233 B13R1.16 COCCSc1cccc(c1N)Cl 62a_100000233755_100010190421 [0,2,0,0,0,0|2,0,0]=4 12234 B13R1.16 COCCSc1cccc(c1N)Cl 62a_100010190421_100000233755 [0,2,0,0,0,0|2,0,0]=4 12235 B13R1.16 COCCSc1cccc(c1N)F 62a_100000042321_100000233755 [0,2,0,0,0,0|2,0,0]=4 12236 B13R1.16 COCCSc1cccc(c1N)F 62a_100000233755_100000042321 [0,2,0,0,0,0|2,0,0]=4 12237 B13R1.16 COCCSc1cccc(c1N)N 62a_100015191791_100000233755 [0,2,0,0,0,0|2,0,0]=4 12238 B13R1.16 COCCSc1cccc(c1N)O 62a_100000233755_100011934926 [0,2,0,0,0,0|2,0,0]=4 12239 B13R1.16 COCCSc1cccc(c1O)Br 62a_100000233755_100010084509 [0,2,0,0,0,0|2,0,0]=4 12240 B13R1.16 COCCSc1cccc(c1O)Br 62a_100010084509_100000233755 [0,2,0,0,0,0|2,0,0]=4 12241 B13R1.16 COCCSc1cccc(c1O)C 62a_100000233755_100009817157 [0,2,0,0,0,0|2,0,0]=4 12242 B13R1.16 COCCSc1cccc(c1O)C 62a_100009817157_100000233755 [0,2,0,0,0,0|2,0,0]=4 12243 B13R1.16 COCCSc1cccc(c1O)Cl 62a_100000233755_100010202889 [0,2,0,0,0,0|2,0,0]=4 12244 B13R1.16 COCCSc1cccc(c1O)Cl 62a_100010202889_100000233755 [0,2,0,0,0,0|2,0,0]=4 12245 B13R1.16 COCCSc1cccc(c1O)F 62a_100000233755_100009813666 [0,2,0,0,0,0|2,0,0]=4 12246 B13R1.16 COCCSc1cccc(c1O)F 62a_100009813666_100000233755 [0,2,0,0,0,0|2,0,0]=4 12247 B13R1.16 COCCSc1cccc(c1O)N 62a_100000233755_100010084371 [0,2,0,0,0,0|2,0,0]=4 12248 B13R1.16 COCCSc1cccc(c1O)N 62a_100011934915_100000233755 [0,2,0,0,0,0|2,0,0]=4 12249 B13R1.16 COCCSc1cccc(c1O)O 62a_100000233755_100009815950 [0,2,0,0,0,0|2,0,0]=4 12250 B13R1.16 COCCSc1ccnc(c1Cl)C 62a_100000233755_100000698670 [0,2,0,0,0,0|2,0,0]=4 12251 B13R1.16 COCCSc1ccnc(c1Cl)C 62a_100000698670_100000233755 [0,2,0,0,0,0|2,0,0]=4 12252 B13R1.16 COCCSc1ccnc(c1Cl)Cl 62a_100000233755_100010246212 [0,2,0,0,0,0|2,0,0]=4 12253 B13R1.16 COCCSc1ccnc(c1Cl)Cl 62a_100010246212_100000233755 [0,2,0,0,0,0|2,0,0]=4 12254 B13R1.16 COCCSc1ccnc(c1Cl)F 62a_100000233755_100010067886 [0,2,0,0,0,0|2,0,0]=4 12255 B13R1.16 COCCSc1ccnc(c1Cl)F 62a_100010067886_100000233755 [0,2,0,0,0,0|2,0,0]=4 12256 B13R1.16 COCCSc1ccnc(c1Cl)N 62a_100000233755_100010735111 [0,2,0,0,0,0|2,0,0]=4 12257 B13R1.16 COCCSc1ccnc(c1Cl)N 62a_100010735111_100000233755 [0,2,0,0,0,0|2,0,0]=4 12258 B13R1.16 COCNCc1cccc(c1Br)F 2230a_100020638964_100000766300 [0,2,0,0,0,0|1,1,0]=4 12259 B13R1.16 COCNCc1cccc(c1C)C 2230a_100011211637_100000766300 [0,2,0,0,0,0|2,0,0]=4 12260 B13R1.16 COCNCc1cccc(c1C)Cl 2230a_100020639605_100000766300 [0,2,0,0,0,0|2,0,0]=4 12261 B13R1.16 COCNCc1cccc(c1C)F 2230a_100132306986_100000766300 [0,2,0,0,0,0|2,0,0]=4 12262 B13R1.16 COCNCc1cccc(c1Cl)C 2230a_100025705714_100000766300 [0,2,0,0,0,0|1,0,0]=3 12263 B13R1.16 COCNCc1cccc(c1Cl)Cl 2230a_100011211633_100000766300 [0,2,0,0,0,0|1,0,0]=3 12264 B13R1.16 COCNCc1cccc(c1Cl)F 2230a_100012001614_100000766300 [0,2,0,0,0,0|1,0,0]=3 12265 B13R1.16 COCNCc1cccc(c1F)Br 2230a_100015189953_100000766300 [0,2,0,0,0,0|1,1,0]=4 12266 B13R1.16 COCNCc1cccc(c1F)C 2230a_100012002060_100000766300 [0,2,0,0,0,0|1,1,0]=4 12267 B13R1.16 COCNCc1cccc(c1F)Cl 2230a_100000764326_100000766300 [0,2,0,0,0,0|1,1,0]=4 12268 B13R1.16 COCNCc1cccc(c1F)F 2230a_100011199105_100000766300 [0,2,0,0,0,0|1,1,0]=4 12269 B13R1.16 COCSCc1cccc(c1Br)C 62a_100000766300_200012349612 [0,2,0,0,0,0|1,1,0]=4 12270 B13R1.16 COCSCc1cccc(c1Br)C 62a_200012349612_100000766300 [0,2,0,0,0,0|1,1,0]=4 12271 B13R1.16 COCSCc1cccc(c1Br)Cl 62a_100000766300_100010145525 [0,2,0,0,0,0|1,1,0]=4 12272 B13R1.16 COCSCc1cccc(c1Br)Cl 62a_100010145525_100000766300 [0,2,0,0,0,0|1,1,0]=4 12273 B13R1.16 COCSCc1cccc(c1Br)F 62a_100000766300_100012351116 [0,2,0,0,0,0|1,1,0]=4 12274 B13R1.16 COCSCc1cccc(c1Br)F 62a_100012351116_100000766300 [0,2,0,0,0,0|1,1,0]=4 12275 B13R1.16 COCSCc1cccc(c1Br)I 62a_100000766300_100010254545 [0,2,0,0,0,0|1,1,0]=4 12276 B13R1.16 COCSCc1cccc(c1Br)I 62a_100010254545_100000766300 [0,2,0,0,0,0|1,1,0]=4 12277 B13R1.16 COCSCc1cccc(c1C)Br 62a_100000694682_100000766300 [0,2,0,0,0,0|2,0,0]=4 12278 B13R1.16 COCSCc1cccc(c1C)Br 62a_100000766300_100000694682 [0,2,0,0,0,0|2,0,0]=4 12279 B13R1.16 COCSCc1cccc(c1C)C 62a_100000766300_100011515928 [0,2,0,0,0,0|2,0,0]=4 12280 B13R1.16 COCSCc1cccc(c1C)C 62a_100011515928_100000766300 [0,2,0,0,0,0|2,0,0]=4 12281 B13R1.16 COCSCc1cccc(c1C)Cl 62a_100000766300_100012186920 [0,2,0,0,0,0|2,0,0]=4 12282 B13R1.16 COCSCc1cccc(c1C)Cl 62a_100012186920_100000766300 [0,2,0,0,0,0|2,0,0]=4 12283 B13R1.16 COCSCc1cccc(c1C)F 62a_100000766300_100009813626 [0,2,0,0,0,0|2,0,0]=4 12284 B13R1.16 COCSCc1cccc(c1C)F 62a_100009813626_100000766300 [0,2,0,0,0,0|2,0,0]=4 12285 B13R1.16 COCSCc1cccc(c1C)I 62a_100000766300_100010150147 [0,2,0,0,0,0|2,0,0]=4 12286 B13R1.16 COCSCc1cccc(c1C)I 62a_100010150147_100000766300 [0,2,0,0,0,0|2,0,0]=4 12287 B13R1.16 COCSCc1cccc(c1Cl)Br 62a_100000766300_100012349491 [0,2,0,0,0,0|1,0,0]=3 12288 B13R1.16 COCSCc1cccc(c1Cl)Br 62a_100012349491_100000766300 [0,2,0,0,0,0|1,0,0]=3 12289 B13R1.16 COCSCc1cccc(c1Cl)Cl 62a_100000720918_100000766300 [0,2,0,0,0,0|1,0,0]=3 12290 B13R1.16 COCSCc1cccc(c1Cl)Cl 62a_100000766300_100000723366 [0,2,0,0,0,0|1,0,0]=3 12291 B13R1.16 COCSCc1cccc(c1Cl)F 62a_100000696688_100000766300 [0,2,0,0,0,0|1,0,0]=3 12292 B13R1.16 COCSCc1cccc(c1Cl)F 62a_100000766300_100000696688 [0,2,0,0,0,0|1,0,0]=3 12293 B13R1.16 COCSCc1cccc(c1F)Br 62a_100000766300_100012356506 [0,2,0,0,0,0|1,1,0]=4 12294 B13R1.16 COCSCc1cccc(c1F)Br 62a_100012356506_100000766300 [0,2,0,0,0,0|1,1,0]=4 12295 B13R1.16 COCSCc1cccc(c1F)C 62a_100000766300_100011216058 [0,2,0,0,0,0|1,1,0]=4 12296 B13R1.16 COCSCc1cccc(c1F)C 62a_100011216058_100000766300 [0,2,0,0,0,0|1,1,0]=4 12297 B13R1.16 COCSCc1cccc(c1F)Cl 62a_100000716733_100000766300 [0,2,0,0,0,0|1,1,0]=4 12298 B13R1.16 COCSCc1cccc(c1F)Cl 62a_100000766300_100000716733 [0,2,0,0,0,0|1,1,0]=4 12299 B13R1.16 COCSCc1cccc(c1F)F 62a_100000217499_100000766300 [0,2,0,0,0,0|1,1,0]=4 12300 B13R1.16 COCSCc1cccc(c1F)F 62a_100000766300_100000217499 [0,2,0,0,0,0|1,1,0]=4 12301 B13R1.16 COCSCc1cccc(c1I)F 62a_100000766300_100010149603 [0,2,0,0,0,0|1,1,0]=4 12302 B13R1.16 COCSCc1cccc(c1I)F 62a_100010149603_100000766300 [0,2,0,0,0,0|1,1,0]=4 12303 B13R1.16 CSCCNc1cccc(c1Br)C 34a_100000684715_100000212216 [0,2,0,0,0,0|1,1,0]=4 12304 B13R1.16 CSCCNc1cccc(c1Br)Cl 34a_100000687072_100000212216 [0,2,0,0,0,0|1,1,0]=4 12305 B13R1.16 CSCCNc1cccc(c1Br)F 34a_100011934729_100000212216 [0,2,0,0,0,0|1,1,0]=4 12306 B13R1.16 CSCCNc1cccc(c1Br)O 34a_100012183704_100000212216 [0,2,0,0,0,0|1,1,0]=4 12307 B13R1.16 CSCCNc1cccc(c1Br)O 7a_100012183704_100000212216 [0,2,0,0,0,0|1,1,0]=4 12308 B13R1.16 CSCCNc1cccc(c1C)Br 34a_100000750434_100000212216 [0,2,0,0,0,0|2,0,0]=4 12309 B13R1.16 CSCCNc1cccc(c1C)C 2230a_100000210026_100000751147 [0,2,0,0,0,0|2,0,0]=4 12310 B13R1.16 CSCCNc1cccc(c1C)C 34a_100000210026_100000212216 [0,2,0,0,0,0|2,0,0]=4 12311 B13R1.16 CSCCNc1cccc(c1C)C 7a_100000210026_100000212216 [0,2,0,0,0,0|2,0,0]=4 12312 B13R1.16 CSCCNc1cccc(c1C)Cl 2230a_100000210441_100000751147 [0,2,0,0,0,0|2,0,0]=4 12313 B13R1.16 CSCCNc1cccc(c1C)Cl 34a_100000210441_100000212216 [0,2,0,0,0,0|2,0,0]=4 12314 B13R1.16 CSCCNc1cccc(c1C)Cl 7a_100000210441_100000212216 [0,2,0,0,0,0|2,0,0]=4 12315 B13R1.16 CSCCNc1cccc(c1C)F 34a_100000745574_100000212216 [0,2,0,0,0,0|2,0,0]=4 12316 B13R1.16 CSCCNc1cccc(c1C)F 7a_100000745574_100000212216 [0,2,0,0,0,0|2,0,0]=4 12317 B13R1.16 CSCCNc1cccc(c1C)I 34a_100000761887_100000212216 [0,2,0,0,0,0|2,0,0]=4 12318 B13R1.16 CSCCNc1cccc(c1C)O 34a_100011216573_100000212216 [0,2,0,0,0,0|2,0,0]=4 12319 B13R1.16 CSCCNc1cccc(c1C)O 7a_100011216573_100000212216 [0,2,0,0,0,0|2,0,0]=4 12320 B13R1.16 CSCCNc1cccc(c1Cl)Br 34a_100000687075_100000212216 [0,2,0,0,0,0|1,0,0]=3 12321 B13R1.16 CSCCNc1cccc(c1Cl)C 34a_100000765562_100000212216 [0,2,0,0,0,0|1,0,0]=3 12322 B13R1.16 CSCCNc1cccc(c1Cl)C 7a_100000765562_100000212216 [0,2,0,0,0,0|1,0,0]=3 12323 B13R1.16 CSCCNc1cccc(c1Cl)Cl 34a_100000185733_100000212216 [0,2,0,0,0,0|1,0,0]=3 12324 B13R1.16 CSCCNc1cccc(c1Cl)F 34a_100000692321_100000212216 [0,2,0,0,0,0|1,0,0]=3 12325 B13R1.16 CSCCNc1cccc(c1Cl)O 34a_100012002038_100000212216 [0,2,0,0,0,0|1,0,0]=3 12326 B13R1.16 CSCCNc1cccc(c1Cl)O 7a_100012002038_100000212216 [0,2,0,0,0,0|1,0,0]=3 12327 B13R1.16 CSCCNc1cccc(c1F)Br 2230a_100011935091_100000751147 [0,2,0,0,0,0|1,1,0]=4 12328 B13R1.16 CSCCNc1cccc(c1F)Br 34a_100011935091_100000212216 [0,2,0,0,0,0|1,1,0]=4 12329 B13R1.16 CSCCNc1cccc(c1F)C 2230a_100000697159_100000751147 [0,2,0,0,0,0|1,1,0]=4 12330 B13R1.16 CSCCNc1cccc(c1F)C 34a_100000697159_100000212216 [0,2,0,0,0,0|1,1,0]=4 12331 B13R1.16 CSCCNc1cccc(c1F)C 7a_100000697159_100000212216 [0,2,0,0,0,0|1,1,0]=4 12332 B13R1.16 CSCCNc1cccc(c1F)Cl 2230a_100000199060_100000751147 [0,2,0,0,0,0|1,1,0]=4 12333 B13R1.16 CSCCNc1cccc(c1F)Cl 34a_100000199060_100000212216 [0,2,0,0,0,0|1,1,0]=4 12334 B13R1.16 CSCCNc1cccc(c1F)F 34a_100000743855_100000212216 [0,2,0,0,0,0|1,1,0]=4 12335 B13R1.16 CSCCNc1cccc(c1I)Br 34a_100020590159_100000212216 [0,2,0,0,0,0|1,1,0]=4 12336 B13R1.16 CSCCNc1cccc(c1I)C 34a_100000761888_100000212216 [0,2,0,0,0,0|1,1,0]=4 12337 B13R1.16 CSCCNc1cccc(c1I)Cl 34a_100000049713_100000212216 [0,2,0,0,0,0|1,1,0]=4 12338 B13R1.16 CSCCNc1cccc(c1I)F 34a_100000690935_100000212216 [0,2,0,0,0,0|1,1,0]=4 12339 B13R1.16 CSCCNc1cccc(c1O)Br 34a_100011934915_100000212216 [0,2,0,0,0,0|2,0,0]=4 12340 B13R1.16 CSCCNc1cccc(c1O)C 34a_100000756359_100000212216 [0,2,0,0,0,0|2,0,0]=4 12341 B13R1.16 CSCCNc1cccc(c1O)Cl 34a_100000754742_100000212216 [0,2,0,0,0,0|2,0,0]=4 12342 B13R1.16 CSCCNc1cccc(c1O)F 34a_100011934987_100000212216 [0,2,0,0,0,0|2,0,0]=4 12343 B13R1.16 CSCCNc1ccnc(c1Cl)C 27a_100020590264_100000698670 [0,2,0,0,0,0|2,0,0]=4 12344 B13R1.16 CSCCNc1ccnc(c1Cl)F 27a_100020590264_100010067886 [0,2,0,0,0,0|2,0,0]=4 12345 B13R1.16 CSCCOc1cccc(c1Br)Br 34a_100010187966_100000212216 [0,2,0,0,0,0|1,1,0]=4 12346 B13R1.16 CSCCOc1cccc(c1Br)Br 7a_100010187966_100000212216 [0,2,0,0,0,0|1,1,0]=4 12347 B13R1.16 CSCCOc1cccc(c1Br)C 34a_100000686692_100000212216 [0,2,0,0,0,0|1,1,0]=4 12348 B13R1.16 CSCCOc1cccc(c1Br)C 7a_100000686692_100000212216 [0,2,0,0,0,0|1,1,0]=4 12349 B13R1.16 CSCCOc1cccc(c1Br)Cl 34a_100012348804_100000212216 [0,2,0,0,0,0|1,1,0]=4 12350 B13R1.16 CSCCOc1cccc(c1Br)Cl 7a_100012348804_100000212216 [0,2,0,0,0,0|1,1,0]=4 12351 B13R1.16 CSCCOc1cccc(c1Br)F 34a_100009820682_100000212216 [0,2,0,0,0,0|1,1,0]=4 12352 B13R1.16 CSCCOc1cccc(c1Br)F 7a_100009820682_100000212216 [0,2,0,0,0,0|1,1,0]=4 12353 B13R1.16 CSCCOc1cccc(c1Br)I 34a_100010187914_100000212216 [0,2,0,0,0,0|1,1,0]=4 12354 B13R1.16 CSCCOc1cccc(c1Br)I 7a_100010187914_100000212216 [0,2,0,0,0,0|1,1,0]=4 12355 B13R1.16 CSCCOc1cccc(c1Br)N 34a_100012183704_100000212216 [0,2,0,0,0,0|1,1,0]=4 12356 B13R1.16 CSCCOc1cccc(c1Br)N 7a_100012183704_100000212216 [0,2,0,0,0,0|1,1,0]=4 12357 B13R1.16 CSCCOc1cccc(c1C)Br 34a_100012002258_100000212216 [0,2,0,0,0,0|2,0,0]=4 12358 B13R1.16 CSCCOc1cccc(c1C)Br 7a_100012002258_100000212216 [0,2,0,0,0,0|2,0,0]=4 12359 B13R1.16 CSCCOc1cccc(c1C)C 34a_100000185855_100000212216 [0,2,0,0,0,0|2,0,0]=4 12360 B13R1.16 CSCCOc1cccc(c1C)C 7a_100000185855_100000212216 [0,2,0,0,0,0|2,0,0]=4 12361 B13R1.16 CSCCOc1cccc(c1C)Cl 34a_100011265684_100000212216 [0,2,0,0,0,0|2,0,0]=4 12362 B13R1.16 CSCCOc1cccc(c1C)Cl 7a_100011265684_100000212216 [0,2,0,0,0,0|2,0,0]=4 12363 B13R1.16 CSCCOc1cccc(c1C)F 34a_100011217231_100000212216 [0,2,0,0,0,0|2,0,0]=4 12364 B13R1.16 CSCCOc1cccc(c1C)F 7a_100011217231_100000212216 [0,2,0,0,0,0|2,0,0]=4 12365 B13R1.16 CSCCOc1cccc(c1C)N 34a_100011216573_100000212216 [0,2,0,0,0,0|2,0,0]=4 12366 B13R1.16 CSCCOc1cccc(c1C)N 7a_100011216573_100000212216 [0,2,0,0,0,0|2,0,0]=4 12367 B13R1.16 CSCCOc1cccc(c1Cl)Br 34a_100010187913_100000212216 [0,2,0,0,0,0|1,0,0]=3 12368 B13R1.16 CSCCOc1cccc(c1Cl)Br 7a_100010187913_100000212216 [0,2,0,0,0,0|1,0,0]=3 12369 B13R1.16 CSCCOc1cccc(c1Cl)C 34a_100000695629_100000212216 [0,2,0,0,0,0|1,0,0]=3 12370 B13R1.16 CSCCOc1cccc(c1Cl)C 7a_100000695629_100000212216 [0,2,0,0,0,0|1,0,0]=3 12371 B13R1.16 CSCCOc1cccc(c1Cl)Cl 34a_100000211076_100000212216 [0,2,0,0,0,0|1,0,0]=3 12372 B13R1.16 CSCCOc1cccc(c1Cl)Cl 7a_100000211076_100000212216 [0,2,0,0,0,0|1,0,0]=3 12373 B13R1.16 CSCCOc1cccc(c1Cl)F 34a_100000087408_100000212216 [0,2,0,0,0,0|1,0,0]=3 12374 B13R1.16 CSCCOc1cccc(c1Cl)F 7a_100000087408_100000212216 [0,2,0,0,0,0|1,0,0]=3 12375 B13R1.16 CSCCOc1cccc(c1Cl)I 34a_100000049636_100000212216 [0,2,0,0,0,0|1,0,0]=3 12376 B13R1.16 CSCCOc1cccc(c1Cl)I 7a_100000049636_100000212216 [0,2,0,0,0,0|1,0,0]=3 12377 B13R1.16 CSCCOc1cccc(c1Cl)N 34a_100012002038_100000212216 [0,2,0,0,0,0|1,0,0]=3 12378 B13R1.16 CSCCOc1cccc(c1Cl)N 7a_100012002038_100000212216 [0,2,0,0,0,0|1,0,0]=3 12379 B13R1.16 CSCCOc1cccc(c1F)Br 34a_100009817021_100000212216 [0,2,0,0,0,0|1,1,0]=4 12380 B13R1.16 CSCCOc1cccc(c1F)Br 7a_100009817021_100000212216 [0,2,0,0,0,0|1,1,0]=4 12381 B13R1.16 CSCCOc1cccc(c1F)C 34a_100000751311_100000212216 [0,2,0,0,0,0|1,1,0]=4 12382 B13R1.16 CSCCOc1cccc(c1F)C 7a_100000751311_100000212216 [0,2,0,0,0,0|1,1,0]=4 12383 B13R1.16 CSCCOc1cccc(c1F)Cl 34a_100000687438_100000212216 [0,2,0,0,0,0|1,1,0]=4 12384 B13R1.16 CSCCOc1cccc(c1F)Cl 7a_100000687438_100000212216 [0,2,0,0,0,0|1,1,0]=4 12385 B13R1.16 CSCCOc1cccc(c1F)F 34a_100000751161_100000212216 [0,2,0,0,0,0|1,1,0]=4 12386 B13R1.16 CSCCOc1cccc(c1F)F 7a_100000751161_100000212216 [0,2,0,0,0,0|1,1,0]=4 12387 B13R1.16 CSCCOc1cccc(c1I)Br 34a_100010187912_100000212216 [0,2,0,0,0,0|1,1,0]=4 12388 B13R1.16 CSCCOc1cccc(c1I)Br 7a_100010187912_100000212216 [0,2,0,0,0,0|1,1,0]=4 12389 B13R1.16 CSCCOc1cccc(c1I)C 34a_100010083724_100000212216 [0,2,0,0,0,0|1,1,0]=4 12390 B13R1.16 CSCCOc1cccc(c1I)C 7a_100010083724_100000212216 [0,2,0,0,0,0|1,1,0]=4 12391 B13R1.16 CSCCOc1cccc(c1I)Cl 34a_100000050174_100000212216 [0,2,0,0,0,0|1,1,0]=4 12392 B13R1.16 CSCCOc1cccc(c1I)Cl 7a_100000050174_100000212216 [0,2,0,0,0,0|1,1,0]=4 12393 B13R1.16 CSCCOc1cccc(c1I)F 34a_100000690913_100000212216 [0,2,0,0,0,0|1,1,0]=4 12394 B13R1.16 CSCCOc1cccc(c1I)F 7a_100000690913_100000212216 [0,2,0,0,0,0|1,1,0]=4 12395 B13R1.16 CSCCOc1cccc(c1N)Br 34a_100011934926_100000212216 [0,2,0,0,0,0|2,0,0]=4 12396 B13R1.16 CSCCOc1cccc(c1N)Br 7a_100011934926_100000212216 [0,2,0,0,0,0|2,0,0]=4 12397 B13R1.16 CSCCOc1cccc(c1N)C 34a_100000743429_100000212216 [0,2,0,0,0,0|2,0,0]=4 12398 B13R1.16 CSCCOc1cccc(c1N)C 7a_100000743429_100000212216 [0,2,0,0,0,0|2,0,0]=4 12399 B13R1.16 CSCCOc1cccc(c1N)Cl 34a_100012022510_100000212216 [0,2,0,0,0,0|2,0,0]=4 12400 B13R1.16 CSCCOc1cccc(c1N)Cl 7a_100012022510_100000212216 [0,2,0,0,0,0|2,0,0]=4 12401 B13R1.16 CSCCOc1cccc(c1N)F 34a_100020591140_100000212216 [0,2,0,0,0,0|2,0,0]=4 12402 B13R1.16 CSCCOc1cccc(c1N)F 7a_100020591140_100000212216 [0,2,0,0,0,0|2,0,0]=4 12403 B13R1.16 CSCCOc1cccc(c1N)I 34a_200000049512_100000212216 [0,2,0,0,0,0|2,0,0]=4 12404 B13R1.16 CSCCOc1cccc(c1N)I 7a_200000049512_100000212216 [0,2,0,0,0,0|2,0,0]=4 12405 B13R1.16 CSCCOc1cccc(c1N)N 34a_100000033209_100000212216 [0,2,0,0,0,0|2,0,0]=4 12406 B13R1.16 CSCCOc1ccnc(c1Cl)Cl 34a_100009860235_100000212216 [0,2,0,0,0,0|2,0,0]=4 12407 B13R1.16 CSCCOc1nccc(c1Cl)N 34a_200000093555_100000212216 [0,2,0,0,0,0|2,0,0]=4 12408 B13R1.16 CSCCSc1cccc(c1Br)Br 62a_100000212216_100010175083 [0,2,0,0,0,0|1,1,0]=4 12409 B13R1.16 CSCCSc1cccc(c1Br)Br 62a_100010175083_100000751147 [0,2,0,0,0,0|1,1,0]=4 12410 B13R1.16 CSCCSc1cccc(c1Br)C 62a_100000212216_100012362457 [0,2,0,0,0,0|1,1,0]=4 12411 B13R1.16 CSCCSc1cccc(c1Br)C 62a_100012362457_100000751147 [0,2,0,0,0,0|1,1,0]=4 12412 B13R1.16 CSCCSc1cccc(c1Br)Cl 62a_100000212216_100014021842 [0,2,0,0,0,0|1,1,0]=4 12413 B13R1.16 CSCCSc1cccc(c1Br)Cl 62a_100014021842_100000751147 [0,2,0,0,0,0|1,1,0]=4 12414 B13R1.16 CSCCSc1cccc(c1Br)F 62a_100000212216_100010202630 [0,2,0,0,0,0|1,1,0]=4 12415 B13R1.16 CSCCSc1cccc(c1Br)F 62a_100010202630_100000751147 [0,2,0,0,0,0|1,1,0]=4 12416 B13R1.16 CSCCSc1cccc(c1Br)O 62a_100000212216_100010187914 [0,2,0,0,0,0|1,1,0]=4 12417 B13R1.16 CSCCSc1cccc(c1Br)O 62a_100010187914_100000751147 [0,2,0,0,0,0|1,1,0]=4 12418 B13R1.16 CSCCSc1cccc(c1C)Br 62a_100000212216_100012353703 [0,2,0,0,0,0|2,0,0]=4 12419 B13R1.16 CSCCSc1cccc(c1C)Br 62a_100012353703_100000751147 [0,2,0,0,0,0|2,0,0]=4 12420 B13R1.16 CSCCSc1cccc(c1C)C 62a_100000212216_100011214922 [0,2,0,0,0,0|2,0,0]=4 12421 B13R1.16 CSCCSc1cccc(c1C)C 62a_100011214922_100000751147 [0,2,0,0,0,0|2,0,0]=4 12422 B13R1.16 CSCCSc1cccc(c1C)Cl 62a_100000212216_100000726075 [0,2,0,0,0,0|2,0,0]=4 12423 B13R1.16 CSCCSc1cccc(c1C)Cl 62a_100000726075_100000751147 [0,2,0,0,0,0|2,0,0]=4 12424 B13R1.16 CSCCSc1cccc(c1C)F 62a_100000212216_100011216893 [0,2,0,0,0,0|2,0,0]=4 12425 B13R1.16 CSCCSc1cccc(c1C)F 62a_100011216893_100000751147 [0,2,0,0,0,0|2,0,0]=4 12426 B13R1.16 CSCCSc1cccc(c1C)N 62a_100000212216_100000761887 [0,2,0,0,0,0|2,0,0]=4 12427 B13R1.16 CSCCSc1cccc(c1C)N 62a_100000761887_100000751147 [0,2,0,0,0,0|2,0,0]=4 12428 B13R1.16 CSCCSc1cccc(c1C)O 62a_100000212216_100012002258 [0,2,0,0,0,0|2,0,0]=4 12429 B13R1.16 CSCCSc1cccc(c1C)O 62a_100012002258_100000751147 [0,2,0,0,0,0|2,0,0]=4 12430 B13R1.16 CSCCSc1cccc(c1Cl)Br 62a_100000212216_100010142854 [0,2,0,0,0,0|1,0,0]=3 12431 B13R1.16 CSCCSc1cccc(c1Cl)Br 62a_100010142854_100000751147 [0,2,0,0,0,0|1,0,0]=3 12432 B13R1.16 CSCCSc1cccc(c1Cl)C 62a_100000212216_200012352035 [0,2,0,0,0,0|1,0,0]=3 12433 B13R1.16 CSCCSc1cccc(c1Cl)C 62a_200012352035_100000751147 [0,2,0,0,0,0|1,0,0]=3 12434 B13R1.16 CSCCSc1cccc(c1Cl)Cl 62a_100000212216_100011215384 [0,2,0,0,0,0|1,0,0]=3 12435 B13R1.16 CSCCSc1cccc(c1Cl)Cl 62a_100011215384_100000751147 [0,2,0,0,0,0|1,0,0]=3 12436 B13R1.16 CSCCSc1cccc(c1Cl)F 62a_100000212216_200010234923 [0,2,0,0,0,0|1,0,0]=3 12437 B13R1.16 CSCCSc1cccc(c1Cl)F 62a_200010234923_100000751147 [0,2,0,0,0,0|1,0,0]=3 12438 B13R1.16 CSCCSc1cccc(c1Cl)O 62a_100000212216_100000049636 [0,2,0,0,0,0|1,0,0]=3 12439 B13R1.16 CSCCSc1cccc(c1F)Br 62a_100000212216_100000702267 [0,2,0,0,0,0|1,1,0]=4 12440 B13R1.16 CSCCSc1cccc(c1F)Br 62a_100000702267_100000751147 [0,2,0,0,0,0|1,1,0]=4 12441 B13R1.16 CSCCSc1cccc(c1F)C 62a_100000212216_100000717567 [0,2,0,0,0,0|1,1,0]=4 12442 B13R1.16 CSCCSc1cccc(c1F)C 62a_100000717567_100000751147 [0,2,0,0,0,0|1,1,0]=4 12443 B13R1.16 CSCCSc1cccc(c1F)Cl 62a_100000212216_100011217346 [0,2,0,0,0,0|1,1,0]=4 12444 B13R1.16 CSCCSc1cccc(c1F)Cl 62a_100011217346_100000751147 [0,2,0,0,0,0|1,1,0]=4 12445 B13R1.16 CSCCSc1cccc(c1F)F 62a_100000212216_100000694657 [0,2,0,0,0,0|1,1,0]=4 12446 B13R1.16 CSCCSc1cccc(c1F)F 62a_100000694657_100000751147 [0,2,0,0,0,0|1,1,0]=4 12447 B13R1.16 CSCCSc1cccc(c1F)N 62a_100000212216_100011935091 [0,2,0,0,0,0|1,1,0]=4 12448 B13R1.16 CSCCSc1cccc(c1F)N 62a_100011935091_100000751147 [0,2,0,0,0,0|1,1,0]=4 12449 B13R1.16 CSCCSc1cccc(c1F)O 62a_100000212216_100009817021 [0,2,0,0,0,0|1,1,0]=4 12450 B13R1.16 CSCCSc1cccc(c1F)O 62a_100009817021_100000751147 [0,2,0,0,0,0|1,1,0]=4 12451 B13R1.16 CSCCSc1cccc(c1N)Br 62a_100000212216_100010146558 [0,2,0,0,0,0|2,0,0]=4 12452 B13R1.16 CSCCSc1cccc(c1N)Br 62a_100010146558_100000751147 [0,2,0,0,0,0|2,0,0]=4 12453 B13R1.16 CSCCSc1cccc(c1N)C 62a_100000212216_100011834072 [0,2,0,0,0,0|2,0,0]=4 12454 B13R1.16 CSCCSc1cccc(c1N)C 62a_100011834072_100000751147 [0,2,0,0,0,0|2,0,0]=4 12455 B13R1.16 CSCCSc1cccc(c1N)Cl 62a_100000212216_100010190421 [0,2,0,0,0,0|2,0,0]=4 12456 B13R1.16 CSCCSc1cccc(c1N)Cl 62a_100010190421_100000751147 [0,2,0,0,0,0|2,0,0]=4 12457 B13R1.16 CSCCSc1cccc(c1N)F 62a_100000042321_100000751147 [0,2,0,0,0,0|2,0,0]=4 12458 B13R1.16 CSCCSc1cccc(c1N)F 62a_100000212216_100000042321 [0,2,0,0,0,0|2,0,0]=4 12459 B13R1.16 CSCCSc1cccc(c1N)N 62a_100015191791_100000751147 [0,2,0,0,0,0|2,0,0]=4 12460 B13R1.16 CSCCSc1cccc(c1N)O 62a_100000212216_100011934926 [0,2,0,0,0,0|2,0,0]=4 12461 B13R1.16 CSCCSc1cccc(c1O)Br 62a_100000212216_100010084509 [0,2,0,0,0,0|2,0,0]=4 12462 B13R1.16 CSCCSc1cccc(c1O)Br 62a_100010084509_100000751147 [0,2,0,0,0,0|2,0,0]=4 12463 B13R1.16 CSCCSc1cccc(c1O)C 62a_100000212216_100009817157 [0,2,0,0,0,0|2,0,0]=4 12464 B13R1.16 CSCCSc1cccc(c1O)C 62a_100009817157_100000751147 [0,2,0,0,0,0|2,0,0]=4 12465 B13R1.16 CSCCSc1cccc(c1O)Cl 62a_100000212216_100010202889 [0,2,0,0,0,0|2,0,0]=4 12466 B13R1.16 CSCCSc1cccc(c1O)Cl 62a_100010202889_100000751147 [0,2,0,0,0,0|2,0,0]=4 12467 B13R1.16 CSCCSc1cccc(c1O)F 62a_100000212216_100009813666 [0,2,0,0,0,0|2,0,0]=4 12468 B13R1.16 CSCCSc1cccc(c1O)F 62a_100009813666_100000751147 [0,2,0,0,0,0|2,0,0]=4 12469 B13R1.16 CSCCSc1cccc(c1O)N 62a_100000212216_100010084371 [0,2,0,0,0,0|2,0,0]=4 12470 B13R1.16 CSCCSc1cccc(c1O)N 62a_100011934915_100000751147 [0,2,0,0,0,0|2,0,0]=4 12471 B13R1.16 CSCCSc1cccc(c1O)O 62a_100000212216_100009815950 [0,2,0,0,0,0|2,0,0]=4 12472 B13R1.16 CSCCSc1ccnc(c1Cl)C 62a_100000212216_100000698670 [0,2,0,0,0,0|2,0,0]=4 12473 B13R1.16 CSCCSc1ccnc(c1Cl)C 62a_100000698670_100000751147 [0,2,0,0,0,0|2,0,0]=4 12474 B13R1.16 CSCCSc1ccnc(c1Cl)Cl 62a_100000212216_100010246212 [0,2,0,0,0,0|2,0,0]=4 12475 B13R1.16 CSCCSc1ccnc(c1Cl)Cl 62a_100010246212_100000751147 [0,2,0,0,0,0|2,0,0]=4 12476 B13R1.16 CSCCSc1ccnc(c1Cl)F 62a_100000212216_100010067886 [0,2,0,0,0,0|2,0,0]=4 12477 B13R1.16 CSCCSc1ccnc(c1Cl)F 62a_100010067886_100000751147 [0,2,0,0,0,0|2,0,0]=4 12478 B13R1.16 CSCCSc1ccnc(c1Cl)N 62a_100000212216_100010735111 [0,2,0,0,0,0|2,0,0]=4 12479 B13R1.16 CSCCSc1ccnc(c1Cl)N 62a_100010735111_100000751147 [0,2,0,0,0,0|2,0,0]=4 12480 B13R1.16 CSCNCc1cccc(c1Br)F 2230a_100020638964_100011218213 [0,2,0,0,0,0|1,1,0]=4 12481 B13R1.16 CSCNCc1cccc(c1Br)F 34a_100020638964_100011218213 [0,2,0,0,0,0|1,1,0]=4 12482 B13R1.16 CSCNCc1cccc(c1C)Br 34a_100000724210_100011218213 [0,2,0,0,0,0|2,0,0]=4 12483 B13R1.16 CSCNCc1cccc(c1C)C 2230a_100011211637_100011218213 [0,2,0,0,0,0|2,0,0]=4 12484 B13R1.16 CSCNCc1cccc(c1C)C 34a_100011211637_100011218213 [0,2,0,0,0,0|2,0,0]=4 12485 B13R1.16 CSCNCc1cccc(c1C)Cl 2230a_100020639605_100011218213 [0,2,0,0,0,0|2,0,0]=4 12486 B13R1.16 CSCNCc1cccc(c1C)Cl 34a_100020639605_100011218213 [0,2,0,0,0,0|2,0,0]=4 12487 B13R1.16 CSCNCc1cccc(c1C)F 2230a_100132306986_100011218213 [0,2,0,0,0,0|2,0,0]=4 12488 B13R1.16 CSCNCc1cccc(c1C)F 34a_100132306986_100011218213 [0,2,0,0,0,0|2,0,0]=4 12489 B13R1.16 CSCNCc1cccc(c1Cl)C 2230a_100025705714_100011218213 [0,2,0,0,0,0|1,0,0]=3 12490 B13R1.16 CSCNCc1cccc(c1Cl)C 34a_100025705714_100011218213 [0,2,0,0,0,0|1,0,0]=3 12491 B13R1.16 CSCNCc1cccc(c1Cl)Cl 2230a_100011211633_100011218213 [0,2,0,0,0,0|1,0,0]=3 12492 B13R1.16 CSCNCc1cccc(c1Cl)Cl 34a_100011211633_100011218213 [0,2,0,0,0,0|1,0,0]=3 12493 B13R1.16 CSCNCc1cccc(c1Cl)F 2230a_100012001614_100011218213 [0,2,0,0,0,0|1,0,0]=3 12494 B13R1.16 CSCNCc1cccc(c1Cl)F 34a_100012001614_100011218213 [0,2,0,0,0,0|1,0,0]=3 12495 B13R1.16 CSCNCc1cccc(c1F)Br 2230a_100015189953_100011218213 [0,2,0,0,0,0|1,1,0]=4 12496 B13R1.16 CSCNCc1cccc(c1F)Br 34a_100015189953_100011218213 [0,2,0,0,0,0|1,1,0]=4 12497 B13R1.16 CSCNCc1cccc(c1F)C 2230a_100012002060_100011218213 [0,2,0,0,0,0|1,1,0]=4 12498 B13R1.16 CSCNCc1cccc(c1F)C 34a_100012002060_100011218213 [0,2,0,0,0,0|1,1,0]=4 12499 B13R1.16 CSCNCc1cccc(c1F)Cl 2230a_100000764326_100011218213 [0,2,0,0,0,0|1,1,0]=4 12500 B13R1.16 CSCNCc1cccc(c1F)Cl 34a_100000764326_100011218213 [0,2,0,0,0,0|1,1,0]=4 12501 B13R1.16 CSCNCc1cccc(c1F)F 2230a_100011199105_100011218213 [0,2,0,0,0,0|1,1,0]=4 12502 B13R1.16 CSCNCc1cccc(c1F)F 34a_100011199105_100011218213 [0,2,0,0,0,0|1,1,0]=4 12503 B13R1.16 CSCNCc1cccc(c1F)O 34a_100025773512_100011218213 [0,2,0,0,0,0|1,1,0]=4 12504 B13R1.16 CSCNCc1cccc(c1O)C 34a_100020639391_100011218213 [0,2,0,0,0,0|2,0,0]=4 12505 B13R1.16 CSCOCc1cccc(c1Br)C 34a_100011659289_100011218213 [0,2,0,0,0,0|1,1,0]=4 12506 B13R1.16 CSCOCc1cccc(c1Br)Cl 34a_100010168166_100011218213 [0,2,0,0,0,0|1,1,0]=4 12507 B13R1.16 CSCOCc1cccc(c1Br)F 34a_100012351117_100011218213 [0,2,0,0,0,0|1,1,0]=4 12508 B13R1.16 CSCOCc1cccc(c1Br)I 34a_100010240205_100011218213 [0,2,0,0,0,0|1,1,0]=4 12509 B13R1.16 CSCOCc1cccc(c1C)Br 34a_100000694458_100011218213 [0,2,0,0,0,0|2,0,0]=4 12510 B13R1.16 CSCOCc1cccc(c1C)C 34a_100011219135_100011218213 [0,2,0,0,0,0|2,0,0]=4 12511 B13R1.16 CSCOCc1cccc(c1C)Cl 34a_100012000165_100011218213 [0,2,0,0,0,0|2,0,0]=4 12512 B13R1.16 CSCOCc1cccc(c1C)F 34a_100000042775_100011218213 [0,2,0,0,0,0|2,0,0]=4 12513 B13R1.16 CSCOCc1cccc(c1C)I 34a_100010150139_100011218213 [0,2,0,0,0,0|2,0,0]=4 12514 B13R1.16 CSCOCc1cccc(c1C)N 34a_102495339961_100011218213 [0,2,0,0,0,0|2,0,0]=4 12515 B13R1.16 CSCOCc1cccc(c1Cl)Br 34a_100012351182_100011218213 [0,2,0,0,0,0|1,0,0]=3 12516 B13R1.16 CSCOCc1cccc(c1Cl)C 34a_100000710031_100011218213 [0,2,0,0,0,0|1,0,0]=3 12517 B13R1.16 CSCOCc1cccc(c1Cl)Cl 34a_100000720469_100011218213 [0,2,0,0,0,0|1,0,0]=3 12518 B13R1.16 CSCOCc1cccc(c1Cl)F 34a_100000696319_100011218213 [0,2,0,0,0,0|1,0,0]=3 12519 B13R1.16 CSCOCc1cccc(c1F)Br 34a_100011935076_100011218213 [0,2,0,0,0,0|1,1,0]=4 12520 B13R1.16 CSCOCc1cccc(c1F)C 34a_200011219517_100011218213 [0,2,0,0,0,0|1,1,0]=4 12521 B13R1.16 CSCOCc1cccc(c1F)Cl 34a_100011216988_100011218213 [0,2,0,0,0,0|1,1,0]=4 12522 B13R1.16 CSCOCc1cccc(c1F)F 34a_100011218644_100011218213 [0,2,0,0,0,0|1,1,0]=4 12523 B13R1.16 CSCOCc1cccc(c1F)I 34a_200010235739_100011218213 [0,2,0,0,0,0|1,1,0]=4 12524 B13R1.16 CSCOCc1cccc(c1F)N 34a_100012023829_100011218213 [0,2,0,0,0,0|1,1,0]=4 12525 B13R1.16 CSCOCc1cccc(c1I)Br 34a_100010146604_100011218213 [0,2,0,0,0,0|1,1,0]=4 12526 B13R1.16 CSCOCc1cccc(c1I)C 34a_100012349780_100011218213 [0,2,0,0,0,0|1,1,0]=4 12527 B13R1.16 CSCOCc1cccc(c1I)F 34a_100000692438_100011218213 [0,2,0,0,0,0|1,1,0]=4 12528 B13R1.16 CSCOCc1cccc(c1N)Br 34a_100012349457_100011218213 [0,2,0,0,0,0|2,0,0]=4 12529 B13R1.16 CSCOCc1cccc(c1N)C 34a_100011215590_100011218213 [0,2,0,0,0,0|2,0,0]=4 12530 B13R1.16 CSCOCc1cccc(c1N)Cl 34a_100012182729_100011218213 [0,2,0,0,0,0|2,0,0]=4 12531 B13R1.16 CSCOCc1cccc(c1N)F 34a_100000692437_100011218213 [0,2,0,0,0,0|2,0,0]=4 12532 B13R1.16 CSCSCc1cccc(c1Br)C 62a_100011218213_200012349612 [0,2,0,0,0,0|1,1,0]=4 12533 B13R1.16 CSCSCc1cccc(c1Br)C 62a_200012349612_100011218213 [0,2,0,0,0,0|1,1,0]=4 12534 B13R1.16 CSCSCc1cccc(c1Br)Cl 62a_100010145525_100011218213 [0,2,0,0,0,0|1,1,0]=4 12535 B13R1.16 CSCSCc1cccc(c1Br)Cl 62a_100011218213_100010145525 [0,2,0,0,0,0|1,1,0]=4 12536 B13R1.16 CSCSCc1cccc(c1Br)F 62a_100011218213_100012351116 [0,2,0,0,0,0|1,1,0]=4 12537 B13R1.16 CSCSCc1cccc(c1Br)F 62a_100012351116_100011218213 [0,2,0,0,0,0|1,1,0]=4 12538 B13R1.16 CSCSCc1cccc(c1Br)I 62a_100010254545_100011218213 [0,2,0,0,0,0|1,1,0]=4 12539 B13R1.16 CSCSCc1cccc(c1Br)I 62a_100011218213_100010254545 [0,2,0,0,0,0|1,1,0]=4 12540 B13R1.16 CSCSCc1cccc(c1C)Br 62a_100000694682_100011218213 [0,2,0,0,0,0|2,0,0]=4 12541 B13R1.16 CSCSCc1cccc(c1C)Br 62a_100011218213_100000694682 [0,2,0,0,0,0|2,0,0]=4 12542 B13R1.16 CSCSCc1cccc(c1C)C 62a_100011218213_100011515928 [0,2,0,0,0,0|2,0,0]=4 12543 B13R1.16 CSCSCc1cccc(c1C)C 62a_100011515928_100011218213 [0,2,0,0,0,0|2,0,0]=4 12544 B13R1.16 CSCSCc1cccc(c1C)Cl 62a_100011218213_100012186920 [0,2,0,0,0,0|2,0,0]=4 12545 B13R1.16 CSCSCc1cccc(c1C)Cl 62a_100012186920_100011218213 [0,2,0,0,0,0|2,0,0]=4 12546 B13R1.16 CSCSCc1cccc(c1C)F 62a_100009813626_100011218213 [0,2,0,0,0,0|2,0,0]=4 12547 B13R1.16 CSCSCc1cccc(c1C)F 62a_100011218213_100009813626 [0,2,0,0,0,0|2,0,0]=4 12548 B13R1.16 CSCSCc1cccc(c1C)I 62a_100010150147_100011218213 [0,2,0,0,0,0|2,0,0]=4 12549 B13R1.16 CSCSCc1cccc(c1C)I 62a_100011218213_100010150147 [0,2,0,0,0,0|2,0,0]=4 12550 B13R1.16 CSCSCc1cccc(c1Cl)Br 62a_100011218213_100012349491 [0,2,0,0,0,0|1,0,0]=3 12551 B13R1.16 CSCSCc1cccc(c1Cl)Br 62a_100012349491_100011218213 [0,2,0,0,0,0|1,0,0]=3 12552 B13R1.16 CSCSCc1cccc(c1Cl)Cl 62a_100000720918_100011218213 [0,2,0,0,0,0|1,0,0]=3 12553 B13R1.16 CSCSCc1cccc(c1Cl)Cl 62a_100011218213_100000723366 [0,2,0,0,0,0|1,0,0]=3 12554 B13R1.16 CSCSCc1cccc(c1Cl)F 62a_100000696688_100011218213 [0,2,0,0,0,0|1,0,0]=3 12555 B13R1.16 CSCSCc1cccc(c1Cl)F 62a_100011218213_100000696688 [0,2,0,0,0,0|1,0,0]=3 12556 B13R1.16 CSCSCc1cccc(c1F)Br 62a_100011218213_100012356506 [0,2,0,0,0,0|1,1,0]=4 12557 B13R1.16 CSCSCc1cccc(c1F)Br 62a_100012356506_100011218213 [0,2,0,0,0,0|1,1,0]=4 12558 B13R1.16 CSCSCc1cccc(c1F)C 62a_100011216058_100011218213 [0,2,0,0,0,0|1,1,0]=4 12559 B13R1.16 CSCSCc1cccc(c1F)C 62a_100011218213_100011216058 [0,2,0,0,0,0|1,1,0]=4 12560 B13R1.16 CSCSCc1cccc(c1F)Cl 62a_100000716733_100011218213 [0,2,0,0,0,0|1,1,0]=4 12561 B13R1.16 CSCSCc1cccc(c1F)Cl 62a_100011218213_100000716733 [0,2,0,0,0,0|1,1,0]=4 12562 B13R1.16 CSCSCc1cccc(c1F)F 62a_100000217499_100011218213 [0,2,0,0,0,0|1,1,0]=4 12563 B13R1.16 CSCSCc1cccc(c1F)F 62a_100011218213_100000217499 [0,2,0,0,0,0|1,1,0]=4 12564 B13R1.16 CSCSCc1cccc(c1I)F 62a_100010149603_100011218213 [0,2,0,0,0,0|1,1,0]=4 12565 B13R1.16 CSCSCc1cccc(c1I)F 62a_100011218213_100010149603 [0,2,0,0,0,0|1,1,0]=4 12566 B13R1.16 Cc1c(cccc1CCNCF)Br 34a_100161000114_100015361967 [0,2,0,0,0,0|1,0,0]=3 12567 B13R1.16 Cc1cccc(c1Cl)CNCC#N 2230a_100025705714_100011215382 [0,2,0,0,0,0|2,0,0]=4 12568 B13R1.16 Cc1cccc(c1Cl)CNCC=O 2230a_100025705714_200015260668 [0,2,0,0,0,0|2,0,0]=4 12569 B13R1.16 Cc1cccc(c1Cl)CNCC=O 34a_100025705714_200009817547 [0,2,0,0,0,0|2,0,0]=4 12570 B13R1.16 Cc1cccc(c1Cl)CNCCF 2230a_100025705714_100011217306 [0,2,0,0,0,0|2,0,0]=4 12571 B13R1.16 Cc1cccc(c1Cl)CNCCF 34a_100025705714_100011217306 [0,2,0,0,0,0|2,0,0]=4 12572 B13R1.16 Cc1cccc(c1Cl)CNCCO 207a_100000210304_100012017286 [0,2,0,0,0,0|2,0,0]=4 12573 B13R1.16 Cc1cccc(c1Cl)CNCCO 2230a_100025705714_100000211926 [0,2,0,0,0,0|2,0,0]=4 12574 B13R1.16 Cc1cccc(c1Cl)CNCCO 270004a_100000210304_100012017286 [0,2,0,0,0,0|2,0,0]=4 12575 B13R1.16 Cc1cccc(c1Cl)CNCCO 34a_100025705714_100000211926 [0,2,0,0,0,0|2,0,0]=4 12576 B13R1.16 Cc1cccc(c1Cl)COCC#N 7a_100000710031_100011215382 [0,2,0,0,0,0|2,0,0]=4 12577 B13R1.16 Cc1cccc(c1Cl)COCC=O 34a_100000710031_200009817547 [0,2,0,0,0,0|2,0,0]=4 12578 B13R1.16 Cc1cccc(c1Cl)COCC=O 7a_100000710031_200015260668 [0,2,0,0,0,0|2,0,0]=4 12579 B13R1.16 Cc1cccc(c1Cl)COCCF 34a_100000710031_100011217306 [0,2,0,0,0,0|2,0,0]=4 12580 B13R1.16 Cc1cccc(c1Cl)COCCF 7a_100000710031_100011217306 [0,2,0,0,0,0|2,0,0]=4 12581 B13R1.16 Cc1cccc(c1Cl)COCCO 34a_100000710031_100000211926 [0,2,0,0,0,0|2,0,0]=4 12582 B13R1.16 Cc1cccc(c1Cl)COCCO 7a_100000710031_100000211926 [0,2,0,0,0,0|2,0,0]=4 12583 B13R1.16 Cc1cccc(c1Cl)NCCC#N 7a_100000765562_100000184422 [0,2,0,0,0,0|2,0,0]=4 12584 B13R1.16 Cc1cccc(c1Cl)NCCCF 34a_100000765562_100011934791 [0,2,0,0,0,0|2,0,0]=4 12585 B13R1.16 Cc1cccc(c1Cl)NCCCF 7a_100000765562_100011934791 [0,2,0,0,0,0|2,0,0]=4 12586 B13R1.16 Cc1cccc(c1Cl)NCCCO 34a_100000765562_100000230001 [0,2,0,0,0,0|2,0,0]=4 12587 B13R1.16 Cc1cccc(c1Cl)NCCCO 7a_100000765562_100011215043 [0,2,0,0,0,0|2,0,0]=4 12588 B13R1.16 Cc1cccc(c1Cl)OCCC#N 7a_100000695629_100000184422 [0,2,0,0,0,0|2,0,0]=4 12589 B13R1.16 Cc1cccc(c1Cl)OCCCF 34a_100000695629_100011934791 [0,2,0,0,0,0|2,0,0]=4 12590 B13R1.16 Cc1cccc(c1Cl)OCCCF 7a_100000695629_100011934791 [0,2,0,0,0,0|2,0,0]=4 12591 B13R1.16 Cc1cccc(c1Cl)OCCCO 34a_100000695629_100000230001 [0,2,0,0,0,0|2,0,0]=4 12592 B13R1.16 Cc1cccc(c1Cl)OCCCO 7a_100000695629_100011215043 [0,2,0,0,0,0|2,0,0]=4 12593 B13R1.16 Cc1cccc(c1Cl)SCCC#N 62a_100011215226_200012352035 [0,2,0,0,0,0|2,0,0]=4 12594 B13R1.16 Cc1cccc(c1Cl)SCCC#N 62a_200012352035_100011215226 [0,2,0,0,0,0|2,0,0]=4 12595 B13R1.16 Cc1cccc(c1Cl)SCCCF 62a_100011934791_200012352035 [0,2,0,0,0,0|2,0,0]=4 12596 B13R1.16 Cc1cccc(c1Cl)SCCCF 62a_200012352035_100011934791 [0,2,0,0,0,0|2,0,0]=4 12597 B13R1.16 Cc1cccc(c1Cl)SCCCO 62a_100011215043_200012352035 [0,2,0,0,0,0|2,0,0]=4 12598 B13R1.16 Cc1cccc(c1Cl)SCCCO 62a_200012352035_100011215043 [0,2,0,0,0,0|2,0,0]=4 12599 B13R1.16 Clc1c(cccc1COCCBr)Br 34a_100000211926_100012349491 [0,2,0,0,0,0|2,0,0]=4 12600 B13R1.16 Clc1cccc(c1Cl)COCCBr 34a_100000211926_100000723366 [0,2,0,0,0,0|2,0,0]=4 12601 B13R1.16 FCCCNc1cccc(c1Cl)Br 34a_100000687075_100011934791 [0,2,0,0,0,0|2,0,0]=4 12602 B13R1.16 FCCCNc1cccc(c1Cl)Cl 34a_100000185733_100011934791 [0,2,0,0,0,0|2,0,0]=4 12603 B13R1.16 FCCCNc1cccc(c1Cl)F 34a_100000692321_100011934791 [0,2,0,0,0,0|2,0,0]=4 12604 B13R1.16 FCCCOc1cccc(c1Cl)Br 34a_100010187913_100011934791 [0,2,0,0,0,0|2,0,0]=4 12605 B13R1.16 FCCCOc1cccc(c1Cl)Br 7a_100010187913_100011934791 [0,2,0,0,0,0|2,0,0]=4 12606 B13R1.16 FCCCOc1cccc(c1Cl)Cl 34a_100000211076_100011934791 [0,2,0,0,0,0|2,0,0]=4 12607 B13R1.16 FCCCOc1cccc(c1Cl)Cl 7a_100000211076_100011934791 [0,2,0,0,0,0|2,0,0]=4 12608 B13R1.16 FCCCOc1cccc(c1Cl)F 34a_100000087408_100011934791 [0,2,0,0,0,0|2,0,0]=4 12609 B13R1.16 FCCCOc1cccc(c1Cl)F 7a_100000087408_100011934791 [0,2,0,0,0,0|2,0,0]=4 12610 B13R1.16 FCCCOc1cccc(c1Cl)I 34a_100000049636_100011934791 [0,2,0,0,0,0|2,0,0]=4 12611 B13R1.16 FCCCOc1cccc(c1Cl)I 7a_100000049636_100011934791 [0,2,0,0,0,0|2,0,0]=4 12612 B13R1.16 FCCCSc1cccc(c1Cl)Br 62a_100010142854_100011934791 [0,2,0,0,0,0|2,0,0]=4 12613 B13R1.16 FCCCSc1cccc(c1Cl)Br 62a_100011934791_100010142854 [0,2,0,0,0,0|2,0,0]=4 12614 B13R1.16 FCCCSc1cccc(c1Cl)Cl 62a_100011215384_100011934791 [0,2,0,0,0,0|2,0,0]=4 12615 B13R1.16 FCCCSc1cccc(c1Cl)Cl 62a_100011934791_100011215384 [0,2,0,0,0,0|2,0,0]=4 12616 B13R1.16 FCCCSc1cccc(c1Cl)F 62a_100011934791_200010234923 [0,2,0,0,0,0|2,0,0]=4 12617 B13R1.16 FCCCSc1cccc(c1Cl)F 62a_200010234923_100011934791 [0,2,0,0,0,0|2,0,0]=4 12618 B13R1.16 FCCNCc1cccc(c1Cl)Br 34a_100000724931_100012349491 [0,2,0,0,0,0|2,0,0]=4 12619 B13R1.16 FCCNCc1cccc(c1Cl)Cl 2230a_100011211633_100011217306 [0,2,0,0,0,0|2,0,0]=4 12620 B13R1.16 FCCNCc1cccc(c1Cl)Cl 34a_100000724931_100000723366 [0,2,0,0,0,0|2,0,0]=4 12621 B13R1.16 FCCNCc1cccc(c1Cl)Cl 34a_100011211633_100011217306 [0,2,0,0,0,0|2,0,0]=4 12622 B13R1.16 FCCNCc1cccc(c1Cl)F 2230a_100012001614_100011217306 [0,2,0,0,0,0|2,0,0]=4 12623 B13R1.16 FCCNCc1cccc(c1Cl)F 34a_100000724931_100000696688 [0,2,0,0,0,0|2,0,0]=4 12624 B13R1.16 FCCNCc1cccc(c1Cl)F 34a_100012001614_100011217306 [0,2,0,0,0,0|2,0,0]=4 12625 B13R1.16 FCCOCc1cccc(c1Cl)Br 34a_100012351182_100011217306 [0,2,0,0,0,0|2,0,0]=4 12626 B13R1.16 FCCOCc1cccc(c1Cl)Br 7a_100012351182_100011217306 [0,2,0,0,0,0|2,0,0]=4 12627 B13R1.16 FCCOCc1cccc(c1Cl)Cl 34a_100000720469_100011217306 [0,2,0,0,0,0|2,0,0]=4 12628 B13R1.16 FCCOCc1cccc(c1Cl)Cl 7a_100000720469_100011217306 [0,2,0,0,0,0|2,0,0]=4 12629 B13R1.16 FCCOCc1cccc(c1Cl)F 34a_100000696319_100011217306 [0,2,0,0,0,0|2,0,0]=4 12630 B13R1.16 FCCOCc1cccc(c1Cl)F 7a_100000696319_100011217306 [0,2,0,0,0,0|2,0,0]=4 12631 B13R1.16 FCCSCc1cccc(c1Cl)Br 62a_100011217306_100012349491 [0,2,0,0,0,0|2,0,0]=4 12632 B13R1.16 FCCSCc1cccc(c1Cl)Br 62a_100012349491_100011217306 [0,2,0,0,0,0|2,0,0]=4 12633 B13R1.16 FCCSCc1cccc(c1Cl)Cl 62a_100000720918_100011217306 [0,2,0,0,0,0|2,0,0]=4 12634 B13R1.16 FCCSCc1cccc(c1Cl)Cl 62a_100011217306_100000723366 [0,2,0,0,0,0|2,0,0]=4 12635 B13R1.16 FCCSCc1cccc(c1Cl)F 62a_100000696688_100011217306 [0,2,0,0,0,0|2,0,0]=4 12636 B13R1.16 FCCSCc1cccc(c1Cl)F 62a_100011217306_100000696688 [0,2,0,0,0,0|2,0,0]=4 12637 B13R1.16 FCNCCc1cccc(c1Cl)Cl 34a_100000741019_100015361967 [0,2,0,0,0,0|0,0,0]=2 12638 B13R1.16 FCOCCc1cccc(c1Cl)Cl 34a_100011754357_100015361967 [0,2,0,0,0,0|1,0,0]=3 12639 B13R1.16 FCOCCc1cccc(c1Cl)Cl 7a_100011754357_100015361967 [0,2,0,0,0,0|1,0,0]=3 12640 B13R1.16 FCOCCc1cccc(c1F)Cl 34a_100011830271_100015361967 [0,2,0,0,0,0|1,1,0]=4 12641 B13R1.16 FCOCCc1cccc(c1F)Cl 7a_100011830271_100015361967 [0,2,0,0,0,0|1,1,0]=4 12642 B13R1.16 FCOCCc1cccc(c1F)F 34a_100000698707_100015361967 [0,2,0,0,0,0|1,1,0]=4 12643 B13R1.16 FCOCCc1cccc(c1F)F 7a_100000698707_100015361967 [0,2,0,0,0,0|1,1,0]=4 12644 B13R1.16 FCSCCc1cccc(c1Cl)Cl 62a_100000723033_100015361967 [0,2,0,0,0,0|1,0,0]=3 12645 B13R1.16 FCSCCc1cccc(c1Cl)Cl 62a_100015361967_100000723033 [0,2,0,0,0,0|1,0,0]=3 12646 B13R1.16 Fc1cccc(c1Cl)COCCBr 34a_100000211926_100000696688 [0,2,0,0,0,0|2,0,0]=4 12647 B13R1.16 N#CCCNc1cccc(c1Cl)O 7a_100012002038_100000184422 [0,2,0,0,0,0|2,0,0]=4 12648 B13R1.16 N#CCCOc1cccc(c1Cl)Br 7a_100010187913_100000184422 [0,2,0,0,0,0|2,0,0]=4 12649 B13R1.16 N#CCCOc1cccc(c1Cl)Cl 7a_100000211076_100000184422 [0,2,0,0,0,0|2,0,0]=4 12650 B13R1.16 N#CCCOc1cccc(c1Cl)F 7a_100000087408_100000184422 [0,2,0,0,0,0|2,0,0]=4 12651 B13R1.16 N#CCCOc1cccc(c1Cl)I 7a_100000049636_100000184422 [0,2,0,0,0,0|2,0,0]=4 12652 B13R1.16 N#CCCOc1cccc(c1Cl)N 7a_100012002038_100000184422 [0,2,0,0,0,0|2,0,0]=4 12653 B13R1.16 N#CCCSc1cccc(c1Cl)Br 62a_100010142854_100011215226 [0,2,0,0,0,0|2,0,0]=4 12654 B13R1.16 N#CCCSc1cccc(c1Cl)Br 62a_100011215226_100010142854 [0,2,0,0,0,0|2,0,0]=4 12655 B13R1.16 N#CCCSc1cccc(c1Cl)Cl 62a_100011215226_100011215384 [0,2,0,0,0,0|2,0,0]=4 12656 B13R1.16 N#CCCSc1cccc(c1Cl)Cl 62a_100011215384_100011215226 [0,2,0,0,0,0|2,0,0]=4 12657 B13R1.16 N#CCCSc1cccc(c1Cl)F 62a_100011215226_200010234923 [0,2,0,0,0,0|2,0,0]=4 12658 B13R1.16 N#CCCSc1cccc(c1Cl)F 62a_200010234923_100011215226 [0,2,0,0,0,0|2,0,0]=4 12659 B13R1.16 N#CCCSc1cccc(c1Cl)O 62a_100011215226_100000049636 [0,2,0,0,0,0|2,0,0]=4 12660 B13R1.16 N#CCNCc1cccc(c1Cl)Cl 2230a_100011211633_100011215382 [0,2,0,0,0,0|2,0,0]=4 12661 B13R1.16 N#CCNCc1cccc(c1Cl)F 2230a_100012001614_100011215382 [0,2,0,0,0,0|2,0,0]=4 12662 B13R1.16 N#CCOCc1cccc(c1Cl)Br 7a_100012351182_100011215382 [0,2,0,0,0,0|2,0,0]=4 12663 B13R1.16 N#CCOCc1cccc(c1Cl)Cl 7a_100000720469_100011215382 [0,2,0,0,0,0|2,0,0]=4 12664 B13R1.16 N#CCOCc1cccc(c1Cl)F 7a_100000696319_100011215382 [0,2,0,0,0,0|2,0,0]=4 12665 B13R1.16 N#CCSCc1cccc(c1Cl)Br 62a_100011215382_100012349491 [0,2,0,0,0,0|2,0,0]=4 12666 B13R1.16 N#CCSCc1cccc(c1Cl)Br 62a_100012349491_100011215382 [0,2,0,0,0,0|2,0,0]=4 12667 B13R1.16 N#CCSCc1cccc(c1Cl)Cl 62a_100000720918_100011215382 [0,2,0,0,0,0|2,0,0]=4 12668 B13R1.16 N#CCSCc1cccc(c1Cl)Cl 62a_100011215382_100000723366 [0,2,0,0,0,0|2,0,0]=4 12669 B13R1.16 N#CCSCc1cccc(c1Cl)F 62a_100000696688_100011215382 [0,2,0,0,0,0|2,0,0]=4 12670 B13R1.16 N#CCSCc1cccc(c1Cl)F 62a_100011215382_100000696688 [0,2,0,0,0,0|2,0,0]=4 12671 B13R1.16 NCCOCc1cccc(c1Cl)Br 34a_100000210304_100012349491 [0,2,0,0,0,0|2,0,0]=4 12672 B13R1.16 NCCOCc1cccc(c1Cl)Cl 34a_100000210304_100000723366 [0,2,0,0,0,0|2,0,0]=4 12673 B13R1.16 NCCOCc1cccc(c1Cl)F 34a_100000210304_100000696688 [0,2,0,0,0,0|2,0,0]=4 12674 B13R1.16 Nc1cccc(c1Cl)OCCCF 34a_100012002038_100011934791 [0,2,0,0,0,0|2,0,0]=4 12675 B13R1.16 Nc1cccc(c1Cl)OCCCF 7a_100012002038_100011934791 [0,2,0,0,0,0|2,0,0]=4 12676 B13R1.16 Nc1cccc(c1Cl)OCCCO 34a_100012002038_100000230001 [0,2,0,0,0,0|2,0,0]=4 12677 B13R1.16 Nc1cccc(c1Cl)OCCCO 7a_100012002038_100011215043 [0,2,0,0,0,0|2,0,0]=4 12678 B13R1.16 O=CCNCc1cccc(c1Cl)Cl 2230a_100011211633_200015260668 [0,2,0,0,0,0|2,0,0]=4 12679 B13R1.16 O=CCNCc1cccc(c1Cl)Cl 34a_100011211633_200009817547 [0,2,0,0,0,0|2,0,0]=4 12680 B13R1.16 O=CCNCc1cccc(c1Cl)F 2230a_100012001614_200015260668 [0,2,0,0,0,0|2,0,0]=4 12681 B13R1.16 O=CCNCc1cccc(c1Cl)F 34a_100012001614_200009817547 [0,2,0,0,0,0|2,0,0]=4 12682 B13R1.16 O=CCOCc1cccc(c1Cl)Br 34a_100012351182_200009817547 [0,2,0,0,0,0|2,0,0]=4 12683 B13R1.16 O=CCOCc1cccc(c1Cl)Br 7a_100012351182_200015260668 [0,2,0,0,0,0|2,0,0]=4 12684 B13R1.16 O=CCOCc1cccc(c1Cl)Cl 34a_100000720469_200009817547 [0,2,0,0,0,0|2,0,0]=4 12685 B13R1.16 O=CCOCc1cccc(c1Cl)Cl 7a_100000720469_200015260668 [0,2,0,0,0,0|2,0,0]=4 12686 B13R1.16 O=CCOCc1cccc(c1Cl)F 34a_100000696319_200009817547 [0,2,0,0,0,0|2,0,0]=4 12687 B13R1.16 O=CCOCc1cccc(c1Cl)F 7a_100000696319_200015260668 [0,2,0,0,0,0|2,0,0]=4 12688 B13R1.16 O=CCSCc1cccc(c1Cl)Br 62a_100012349491_200015260668 [0,2,0,0,0,0|2,0,0]=4 12689 B13R1.16 O=CCSCc1cccc(c1Cl)Br 62a_200015260668_100012349491 [0,2,0,0,0,0|2,0,0]=4 12690 B13R1.16 O=CCSCc1cccc(c1Cl)Cl 62a_100000720918_200015260668 [0,2,0,0,0,0|2,0,0]=4 12691 B13R1.16 O=CCSCc1cccc(c1Cl)Cl 62a_200015260668_100000723366 [0,2,0,0,0,0|2,0,0]=4 12692 B13R1.16 O=CCSCc1cccc(c1Cl)F 62a_100000696688_200015260668 [0,2,0,0,0,0|2,0,0]=4 12693 B13R1.16 O=CCSCc1cccc(c1Cl)F 62a_200015260668_100000696688 [0,2,0,0,0,0|2,0,0]=4 12694 B13R1.16 OCCCNc1cccc(c1Cl)Br 34a_100000687075_100000230001 [0,2,0,0,0,0|2,0,0]=4 12695 B13R1.16 OCCCNc1cccc(c1Cl)Cl 34a_100000185733_100000230001 [0,2,0,0,0,0|2,0,0]=4 12696 B13R1.16 OCCCNc1cccc(c1Cl)F 34a_100000692321_100000230001 [0,2,0,0,0,0|2,0,0]=4 12697 B13R1.16 OCCCNc1cccc(c1Cl)O 34a_100012002038_100000230001 [0,2,0,0,0,0|2,0,0]=4 12698 B13R1.16 OCCCNc1cccc(c1Cl)O 7a_100012002038_100011215043 [0,2,0,0,0,0|2,0,0]=4 12699 B13R1.16 OCCCOc1cccc(c1Cl)Br 34a_100010187913_100000230001 [0,2,0,0,0,0|2,0,0]=4 12700 B13R1.16 OCCCOc1cccc(c1Cl)Br 7a_100010187913_100011215043 [0,2,0,0,0,0|2,0,0]=4 12701 B13R1.16 OCCCOc1cccc(c1Cl)Cl 34a_100000211076_100000230001 [0,2,0,0,0,0|2,0,0]=4 12702 B13R1.16 OCCCOc1cccc(c1Cl)Cl 7a_100000211076_100011215043 [0,2,0,0,0,0|2,0,0]=4 12703 B13R1.16 OCCCOc1cccc(c1Cl)F 34a_100000087408_100000230001 [0,2,0,0,0,0|2,0,0]=4 12704 B13R1.16 OCCCOc1cccc(c1Cl)F 7a_100000087408_100011215043 [0,2,0,0,0,0|2,0,0]=4 12705 B13R1.16 OCCCOc1cccc(c1Cl)I 34a_100000049636_100000230001 [0,2,0,0,0,0|2,0,0]=4 12706 B13R1.16 OCCCOc1cccc(c1Cl)I 7a_100000049636_100011215043 [0,2,0,0,0,0|2,0,0]=4 12707 B13R1.16 OCCCSc1cccc(c1Cl)Br 62a_100010142854_100011215043 [0,2,0,0,0,0|2,0,0]=4 12708 B13R1.16 OCCCSc1cccc(c1Cl)Br 62a_100011215043_100010142854 [0,2,0,0,0,0|2,0,0]=4 12709 B13R1.16 OCCCSc1cccc(c1Cl)Cl 62a_100011215043_100011215384 [0,2,0,0,0,0|2,0,0]=4 12710 B13R1.16 OCCCSc1cccc(c1Cl)Cl 62a_100011215384_100011215043 [0,2,0,0,0,0|2,0,0]=4 12711 B13R1.16 OCCCSc1cccc(c1Cl)F 62a_100011215043_200010234923 [0,2,0,0,0,0|2,0,0]=4 12712 B13R1.16 OCCCSc1cccc(c1Cl)F 62a_200010234923_100011215043 [0,2,0,0,0,0|2,0,0]=4 12713 B13R1.16 OCCCSc1cccc(c1Cl)O 62a_100011215043_100000049636 [0,2,0,0,0,0|2,0,0]=4 12714 B13R1.16 OCCNCc1cccc(c1Cl)Br 207a_100000210304_100012362481 [0,2,0,0,0,0|2,0,0]=4 12715 B13R1.16 OCCNCc1cccc(c1Cl)Br 2230a_100016997473_100012349491 [0,2,0,0,0,0|2,0,0]=4 12716 B13R1.16 OCCNCc1cccc(c1Cl)Br 270004a_100000210304_100012362481 [0,2,0,0,0,0|2,0,0]=4 12717 B13R1.16 OCCNCc1cccc(c1Cl)Br 34a_100016990907_100012349491 [0,2,0,0,0,0|2,0,0]=4 12718 B13R1.16 OCCNCc1cccc(c1Cl)Cl 207a_100000210304_100000210504 [0,2,0,0,0,0|2,0,0]=4 12719 B13R1.16 OCCNCc1cccc(c1Cl)Cl 2230a_100011211633_100000211926 [0,2,0,0,0,0|2,0,0]=4 12720 B13R1.16 OCCNCc1cccc(c1Cl)Cl 2230a_100016997473_100000723366 [0,2,0,0,0,0|2,0,0]=4 12721 B13R1.16 OCCNCc1cccc(c1Cl)Cl 270004a_100000210304_100000210504 [0,2,0,0,0,0|2,0,0]=4 12722 B13R1.16 OCCNCc1cccc(c1Cl)Cl 34a_100011211633_100000211926 [0,2,0,0,0,0|2,0,0]=4 12723 B13R1.16 OCCNCc1cccc(c1Cl)Cl 34a_100016990907_100000723366 [0,2,0,0,0,0|2,0,0]=4 12724 B13R1.16 OCCNCc1cccc(c1Cl)F 207a_100000210304_100011998484 [0,2,0,0,0,0|2,0,0]=4 12725 B13R1.16 OCCNCc1cccc(c1Cl)F 2230a_100012001614_100000211926 [0,2,0,0,0,0|2,0,0]=4 12726 B13R1.16 OCCNCc1cccc(c1Cl)F 2230a_100016997473_100000696688 [0,2,0,0,0,0|2,0,0]=4 12727 B13R1.16 OCCNCc1cccc(c1Cl)F 270004a_100000210304_100011998484 [0,2,0,0,0,0|2,0,0]=4 12728 B13R1.16 OCCNCc1cccc(c1Cl)F 34a_100012001614_100000211926 [0,2,0,0,0,0|2,0,0]=4 12729 B13R1.16 OCCNCc1cccc(c1Cl)F 34a_100016990907_100000696688 [0,2,0,0,0,0|2,0,0]=4 12730 B13R1.16 OCCNCc1cccc(c1Cl)O 270004a_100000210304_100000050521 [0,2,0,0,0,0|2,0,0]=4 12731 B13R1.16 OCCOCc1cccc(c1Cl)Br 34a_100012351182_100000211926 [0,2,0,0,0,0|2,0,0]=4 12732 B13R1.16 OCCOCc1cccc(c1Cl)Br 7a_100012351182_100000211926 [0,2,0,0,0,0|2,0,0]=4 12733 B13R1.16 OCCOCc1cccc(c1Cl)Cl 34a_100000720469_100000211926 [0,2,0,0,0,0|2,0,0]=4 12734 B13R1.16 OCCOCc1cccc(c1Cl)Cl 7a_100000720469_100000211926 [0,2,0,0,0,0|2,0,0]=4 12735 B13R1.16 OCCOCc1cccc(c1Cl)F 34a_100000696319_100000211926 [0,2,0,0,0,0|2,0,0]=4 12736 B13R1.16 OCCOCc1cccc(c1Cl)F 7a_100000696319_100000211926 [0,2,0,0,0,0|2,0,0]=4 12737 B13R1.16 OCCSCc1cccc(c1Cl)Br 62a_100000211926_100012349491 [0,2,0,0,0,0|2,0,0]=4 12738 B13R1.16 OCCSCc1cccc(c1Cl)Br 62a_100012349491_100000211926 [0,2,0,0,0,0|2,0,0]=4 12739 B13R1.16 OCCSCc1cccc(c1Cl)Cl 62a_100000211926_100000723366 [0,2,0,0,0,0|2,0,0]=4 12740 B13R1.16 OCCSCc1cccc(c1Cl)Cl 62a_100000720918_100000211926 [0,2,0,0,0,0|2,0,0]=4 12741 B13R1.16 OCCSCc1cccc(c1Cl)F 62a_100000211926_100000696688 [0,2,0,0,0,0|2,0,0]=4 12742 B13R1.16 OCCSCc1cccc(c1Cl)F 62a_100000696688_100000211926 [0,2,0,0,0,0|2,0,0]=4 12743 B13R1.16 Oc1cccc(c1Cl)NCCCF 34a_100012002038_100011934791 [0,2,0,0,0,0|2,0,0]=4 12744 B13R1.16 Oc1cccc(c1Cl)NCCCF 7a_100012002038_100011934791 [0,2,0,0,0,0|2,0,0]=4 12745 B13R1.16 Oc1cccc(c1Cl)SCCCF 62a_100011934791_100000049636 [0,2,0,0,0,0|2,0,0]=4 12746 B13R1.16 [13CH3]OCCSc1cccc(c1Cl)Cl 34a_200010008661_200025704644 [0,2,0,0,0,0|1,0,0]=3 12747 B13R1.16 [13CH3]OCCSc1cccc(c1Cl)Cl 7a_200010008661_200025704644 [0,2,0,0,0,0|1,0,0]=3 12748 B13R1.40 CCC(=O)Cc1cccc(c1Cl)Br 1458a_100000210414_100012349491 [0,2,0,0,0,0|1,0,1]=4 12749 B13R1.40 CCC(=O)Cc1cccc(c1Cl)Br 1458a_100010145770_100000210202 [0,2,0,0,0,0|1,0,1]=4 12750 B13R1.40 CCC(=O)Cc1cccc(c1Cl)Cl 1458a_100000210414_100000720918 [0,2,0,0,0,0|1,0,1]=4 12751 B13R1.40 CCC(=O)Cc1cccc(c1Cl)Cl 1458a_100000759314_100000210202 [0,2,0,0,0,0|1,0,1]=4 12752 B13R1.40 CCC(=O)Cc1cccc(c1Cl)F 1458a_100000210414_100000696688 [0,2,0,0,0,0|1,0,1]=4 12753 B13R1.40 CCC(=O)Cc1cccc(c1Cl)F 1458a_100012001123_100000210202 [0,2,0,0,0,0|1,0,1]=4 12754 B13R1.40 CCC(C)Nc1cccc(c1Cl)Br 34a_100000687075_100011215416 [0,2,0,0,0,0|2,0,0]=4 12755 B13R1.40 CCC(C)Nc1cccc(c1Cl)C 34a_100000765562_100011215416 [0,2,0,0,0,0|2,0,0]=4 12756 B13R1.40 CCC(C)Nc1cccc(c1Cl)C 7a_100000765562_100000758301 [0,2,0,0,0,0|2,0,0]=4 12757 B13R1.40 CCC(C)Nc1cccc(c1Cl)Cl 34a_100000185733_100011215416 [0,2,0,0,0,0|2,0,0]=4 12758 B13R1.40 CCC(C)Nc1cccc(c1Cl)F 34a_100000692321_100011215416 [0,2,0,0,0,0|2,0,0]=4 12759 B13R1.40 CCC(C)Nc1cccc(c1Cl)O 34a_100012002038_100011215416 [0,2,0,0,0,0|2,0,0]=4 12760 B13R1.40 CCC(C)Nc1cccc(c1Cl)O 7a_100012002038_100000758301 [0,2,0,0,0,0|2,0,0]=4 12761 B13R1.40 CCC(C)Oc1cccc(c1Cl)Br 34a_100010187913_100011215416 [0,2,0,0,0,0|2,0,0]=4 12762 B13R1.40 CCC(C)Oc1cccc(c1Cl)Br 7a_100010187913_100000758301 [0,2,0,0,0,0|2,0,0]=4 12763 B13R1.40 CCC(C)Oc1cccc(c1Cl)C 34a_100000695629_100011215416 [0,2,0,0,0,0|2,0,0]=4 12764 B13R1.40 CCC(C)Oc1cccc(c1Cl)C 7a_100000695629_100000758301 [0,2,0,0,0,0|2,0,0]=4 12765 B13R1.40 CCC(C)Oc1cccc(c1Cl)Cl 34a_100000211076_100011215416 [0,2,0,0,0,0|2,0,0]=4 12766 B13R1.40 CCC(C)Oc1cccc(c1Cl)Cl 7a_100000211076_100000758301 [0,2,0,0,0,0|2,0,0]=4 12767 B13R1.40 CCC(C)Oc1cccc(c1Cl)F 34a_100000087408_100011215416 [0,2,0,0,0,0|2,0,0]=4 12768 B13R1.40 CCC(C)Oc1cccc(c1Cl)F 7a_100000087408_100000758301 [0,2,0,0,0,0|2,0,0]=4 12769 B13R1.40 CCC(C)Oc1cccc(c1Cl)I 34a_100000049636_100011215416 [0,2,0,0,0,0|2,0,0]=4 12770 B13R1.40 CCC(C)Oc1cccc(c1Cl)I 7a_100000049636_100000758301 [0,2,0,0,0,0|2,0,0]=4 12771 B13R1.40 CCC(C)Oc1cccc(c1Cl)N 34a_100012002038_100011215416 [0,2,0,0,0,0|2,0,0]=4 12772 B13R1.40 CCC(C)Oc1cccc(c1Cl)N 7a_100012002038_100000758301 [0,2,0,0,0,0|2,0,0]=4 12773 B13R1.40 CCC(C)Sc1cccc(c1Cl)Br 62a_100000758301_100010142854 [0,2,0,0,0,0|2,0,0]=4 12774 B13R1.40 CCC(C)Sc1cccc(c1Cl)Br 62a_100010142854_100000758301 [0,2,0,0,0,0|2,0,0]=4 12775 B13R1.40 CCC(C)Sc1cccc(c1Cl)C 62a_100000758301_200012352035 [0,2,0,0,0,0|2,0,0]=4 12776 B13R1.40 CCC(C)Sc1cccc(c1Cl)C 62a_200012352035_100000758301 [0,2,0,0,0,0|2,0,0]=4 12777 B13R1.40 CCC(C)Sc1cccc(c1Cl)Cl 62a_100000758301_100011215384 [0,2,0,0,0,0|2,0,0]=4 12778 B13R1.40 CCC(C)Sc1cccc(c1Cl)Cl 62a_100011215384_100000758301 [0,2,0,0,0,0|2,0,0]=4 12779 B13R1.40 CCC(C)Sc1cccc(c1Cl)F 62a_100000758301_200010234923 [0,2,0,0,0,0|2,0,0]=4 12780 B13R1.40 CCC(C)Sc1cccc(c1Cl)F 62a_200010234923_100000758301 [0,2,0,0,0,0|2,0,0]=4 12781 B13R1.40 CCC(C)Sc1cccc(c1Cl)O 62a_100000758301_100000049636 [0,2,0,0,0,0|2,0,0]=4 12782 B13R1.40 CCN(C)Cc1cccc(c1Cl)Br 2230a_100000225621_100012349491 [0,2,0,0,0,0|2,0,0]=4 12783 B13R1.40 CCN(C)Cc1cccc(c1Cl)Br 269982a_100000225621_100012349491 [0,2,0,0,0,0|2,0,0]=4 12784 B13R1.40 CCN(C)Cc1cccc(c1Cl)Br 26a_100000225621_100010187913 [0,2,0,0,0,0|2,0,0]=4 12785 B13R1.40 CCN(C)Cc1cccc(c1Cl)C 26a_100000225621_100000695629 [0,2,0,0,0,0|2,0,0]=4 12786 B13R1.40 CCN(C)Cc1cccc(c1Cl)Cl 2230a_100000225621_100000723366 [0,2,0,0,0,0|2,0,0]=4 12787 B13R1.40 CCN(C)Cc1cccc(c1Cl)Cl 2230a_100000690605_100000210202 [0,2,0,0,0,0|2,0,0]=4 12788 B13R1.40 CCN(C)Cc1cccc(c1Cl)Cl 269982a_100000225621_100000720918 [0,2,0,0,0,0|2,0,0]=4 12789 B13R1.40 CCN(C)Cc1cccc(c1Cl)Cl 269982a_100000690605_100000204670 [0,2,0,0,0,0|2,0,0]=4 12790 B13R1.40 CCN(C)Cc1cccc(c1Cl)Cl 26a_100000225621_100000211076 [0,2,0,0,0,0|2,0,0]=4 12791 B13R1.40 CCN(C)Cc1cccc(c1Cl)Cl 34a_100000690605_100000210202 [0,2,0,0,0,0|2,0,0]=4 12792 B13R1.40 CCN(C)Cc1cccc(c1Cl)F 2230a_100000225621_100000696688 [0,2,0,0,0,0|2,0,0]=4 12793 B13R1.40 CCN(C)Cc1cccc(c1Cl)F 269982a_100000225621_100000696688 [0,2,0,0,0,0|2,0,0]=4 12794 B13R1.40 CCN(C)Cc1cccc(c1Cl)F 26a_100000225621_100000087408 [0,2,0,0,0,0|2,0,0]=4 12795 B13R1.40 CCN(C)Cc1cccc(c1Cl)I 26a_100000225621_100000049636 [0,2,0,0,0,0|2,0,0]=4 12796 B13R1.40 CNC(=O)Cc1cccc(c1Br)C 11a_106832991635_100010147021 [0,2,0,0,0,0|0,1,1]=4 12797 B13R1.40 CNC(=O)Cc1cccc(c1Br)C 1626a_100102657272_100010147021 [0,2,0,0,0,0|0,1,1]=4 12798 B13R1.40 CNC(=O)Cc1cccc(c1Br)C 240690a_100102657272_100010147021 [0,2,0,0,0,0|0,1,1]=4 12799 B13R1.40 CNC(=O)Cc1cccc(c1Br)C 527a_100102657272_100010147021 [0,2,0,0,0,0|0,1,1]=4 12800 B13R1.40 CNC(=O)Cc1cccc(c1Br)Cl 11a_106832991635_100010145769 [0,2,0,0,0,0|0,1,1]=4 12801 B13R1.40 CNC(=O)Cc1cccc(c1Br)Cl 1626a_100102657272_100010145769 [0,2,0,0,0,0|0,1,1]=4 12802 B13R1.40 CNC(=O)Cc1cccc(c1Br)Cl 240690a_100102657272_100010145769 [0,2,0,0,0,0|0,1,1]=4 12803 B13R1.40 CNC(=O)Cc1cccc(c1Br)Cl 527a_100102657272_100010145769 [0,2,0,0,0,0|0,1,1]=4 12804 B13R1.40 CNC(=O)Cc1cccc(c1Br)F 11a_106832991635_100012356664 [0,2,0,0,0,0|0,1,1]=4 12805 B13R1.40 CNC(=O)Cc1cccc(c1Br)F 1626a_100102657272_100012356664 [0,2,0,0,0,0|0,1,1]=4 12806 B13R1.40 CNC(=O)Cc1cccc(c1Br)F 240690a_100102657272_100012356664 [0,2,0,0,0,0|0,1,1]=4 12807 B13R1.40 CNC(=O)Cc1cccc(c1Br)F 527a_100102657272_100012356664 [0,2,0,0,0,0|0,1,1]=4 12808 B13R1.40 CNC(=O)Cc1cccc(c1C)C 11a_106832991635_100011698479 [0,2,0,0,0,0|1,0,1]=4 12809 B13R1.40 CNC(=O)Cc1cccc(c1C)C 1626a_100102657272_100011698479 [0,2,0,0,0,0|1,0,1]=4 12810 B13R1.40 CNC(=O)Cc1cccc(c1C)C 240690a_100102657272_100011698479 [0,2,0,0,0,0|1,0,1]=4 12811 B13R1.40 CNC(=O)Cc1cccc(c1C)C 527a_100102657272_100011698479 [0,2,0,0,0,0|1,0,1]=4 12812 B13R1.40 CNC(=O)Cc1cccc(c1C)F 11a_106832991635_100000035905 [0,2,0,0,0,0|1,0,1]=4 12813 B13R1.40 CNC(=O)Cc1cccc(c1C)F 1626a_100102657272_100000035905 [0,2,0,0,0,0|1,0,1]=4 12814 B13R1.40 CNC(=O)Cc1cccc(c1C)F 240690a_100102657272_100000035905 [0,2,0,0,0,0|1,0,1]=4 12815 B13R1.40 CNC(=O)Cc1cccc(c1C)F 527a_100102657272_100000035905 [0,2,0,0,0,0|1,0,1]=4 12816 B13R1.40 CNC(=O)Cc1cccc(c1Cl)Br 11a_106832991635_100010145770 [0,2,0,0,0,0|0,0,1]=3 12817 B13R1.40 CNC(=O)Cc1cccc(c1Cl)Br 1626a_100102657272_100010145770 [0,2,0,0,0,0|0,0,1]=3 12818 B13R1.40 CNC(=O)Cc1cccc(c1Cl)Br 240690a_100102657272_100010145770 [0,2,0,0,0,0|0,0,1]=3 12819 B13R1.40 CNC(=O)Cc1cccc(c1Cl)Br 527a_100102657272_100010145770 [0,2,0,0,0,0|0,0,1]=3 12820 B13R1.40 CNC(=O)Cc1cccc(c1Cl)Cl 11a_106832991635_100000759314 [0,2,0,0,0,0|0,0,1]=3 12821 B13R1.40 CNC(=O)Cc1cccc(c1Cl)Cl 1626a_100102657272_100000759314 [0,2,0,0,0,0|0,0,1]=3 12822 B13R1.40 CNC(=O)Cc1cccc(c1Cl)Cl 240690a_100102657272_100000759314 [0,2,0,0,0,0|0,0,1]=3 12823 B13R1.40 CNC(=O)Cc1cccc(c1Cl)Cl 527a_100102657272_100000759314 [0,2,0,0,0,0|0,0,1]=3 12824 B13R1.40 CNC(=O)Cc1cccc(c1Cl)F 11a_106832991635_100012001123 [0,2,0,0,0,0|0,0,1]=3 12825 B13R1.40 CNC(=O)Cc1cccc(c1Cl)F 1626a_100102657272_100012001123 [0,2,0,0,0,0|0,0,1]=3 12826 B13R1.40 CNC(=O)Cc1cccc(c1Cl)F 240690a_100102657272_100012001123 [0,2,0,0,0,0|0,0,1]=3 12827 B13R1.40 CNC(=O)Cc1cccc(c1Cl)F 527a_100102657272_100012001123 [0,2,0,0,0,0|0,0,1]=3 12828 B13R1.40 CNC(=O)Cc1cccc(c1F)Br 11a_106832991635_100011935088 [0,2,0,0,0,0|0,1,1]=4 12829 B13R1.40 CNC(=O)Cc1cccc(c1F)Br 1626a_100102657272_100011935088 [0,2,0,0,0,0|0,1,1]=4 12830 B13R1.40 CNC(=O)Cc1cccc(c1F)Br 240690a_100102657272_100011935088 [0,2,0,0,0,0|0,1,1]=4 12831 B13R1.40 CNC(=O)Cc1cccc(c1F)Br 527a_100102657272_100011935088 [0,2,0,0,0,0|0,1,1]=4 12832 B13R1.40 CNC(=O)Cc1cccc(c1F)Cl 11a_106832991635_100000709823 [0,2,0,0,0,0|0,1,1]=4 12833 B13R1.40 CNC(=O)Cc1cccc(c1F)Cl 1626a_100102657272_100000709823 [0,2,0,0,0,0|0,1,1]=4 12834 B13R1.40 CNC(=O)Cc1cccc(c1F)Cl 240690a_100102657272_100000709823 [0,2,0,0,0,0|0,1,1]=4 12835 B13R1.40 CNC(=O)Cc1cccc(c1F)Cl 527a_100102657272_100000709823 [0,2,0,0,0,0|0,1,1]=4 12836 B13R1.40 CNC(=O)Cc1cccc(c1F)F 11a_106832991635_100000684727 [0,2,0,0,0,0|0,1,1]=4 12837 B13R1.40 CNC(=O)Cc1cccc(c1F)F 1626a_100102657272_100000684727 [0,2,0,0,0,0|0,1,1]=4 12838 B13R1.40 CNC(=O)Cc1cccc(c1F)F 240690a_100102657272_100000684727 [0,2,0,0,0,0|0,1,1]=4 12839 B13R1.40 CNC(=O)Cc1cccc(c1F)F 527a_100102657272_100000684727 [0,2,0,0,0,0|0,1,1]=4 12840 B13R1.40 CNC(=O)Nc1cccc(c1Cl)Br 2430a_100000687075_100102657272 [0,2,0,0,0,0|1,0,1]=4 12841 B13R1.40 CNC(=O)Nc1cccc(c1Cl)C 2430a_100000765562_100102657272 [0,2,0,0,0,0|1,0,1]=4 12842 B13R1.40 CNC(=O)Nc1cccc(c1Cl)Cl 2430a_100000185733_100102657272 [0,2,0,0,0,0|1,0,1]=4 12843 B13R1.40 CNC(=O)Nc1cccc(c1Cl)F 2430a_100000692321_100102657272 [0,2,0,0,0,0|1,0,1]=4 12844 B13R1.40 CNC(=O)Nc1cccc(c1Cl)O 2430a_100012002038_100102657272 [0,2,0,0,0,0|1,0,1]=4 12845 B13R1.40 CNC(C)Cc1cccc(c1C)F 270004a_106832991635_200000084601 [0,2,0,0,0,0|1,0,0]=3 12846 B13R1.40 CNC(C)Cc1cccc(c1F)F 270004a_106832991635_200011710203 [0,2,0,0,0,0|0,1,0]=3 12847 B13R1.40 COC(C)Sc1cccc(c1Cl)Br 62a_100009879195_100010142854 [0,2,0,0,0,0|2,0,0]=4 12848 B13R1.40 COC(C)Sc1cccc(c1Cl)Br 62a_100010142854_100009879195 [0,2,0,0,0,0|2,0,0]=4 12849 B13R1.40 COC(C)Sc1cccc(c1Cl)C 62a_100009879195_200012352035 [0,2,0,0,0,0|2,0,0]=4 12850 B13R1.40 COC(C)Sc1cccc(c1Cl)C 62a_200012352035_100009879195 [0,2,0,0,0,0|2,0,0]=4 12851 B13R1.40 COC(C)Sc1cccc(c1Cl)Cl 62a_100009879195_100011215384 [0,2,0,0,0,0|2,0,0]=4 12852 B13R1.40 COC(C)Sc1cccc(c1Cl)Cl 62a_100011215384_100009879195 [0,2,0,0,0,0|2,0,0]=4 12853 B13R1.40 COC(C)Sc1cccc(c1Cl)F 62a_100009879195_200010234923 [0,2,0,0,0,0|2,0,0]=4 12854 B13R1.40 COC(C)Sc1cccc(c1Cl)F 62a_200010234923_100009879195 [0,2,0,0,0,0|2,0,0]=4 12855 B13R1.40 COC(C)Sc1cccc(c1Cl)O 62a_100009879195_100000049636 [0,2,0,0,0,0|2,0,0]=4 12856 B13R1.123 CCCCc1cc(cc(c1Br)F)F 271570a_100020621405_100010256416 [0,2,0,0,0,0|1,1,0]=4 12857 B13R1.123 CCCCc1cc(cc(c1C)C)N 271570a_100020621405_100010368239 [0,2,0,0,0,0|2,0,0]=4 12858 B13R1.123 CCCCc1cc(cc(c1C)C)O 271570a_100020621405_100010068915 [0,2,0,0,0,0|2,0,0]=4 12859 B13R1.123 CCCCc1cc(cc(c1C)F)C 271570a_100020621405_100015473476 [0,2,0,0,0,0|2,0,0]=4 12860 B13R1.123 CCCCc1cc(cc(c1C)F)F 271570a_100020621405_100015579730 [0,2,0,0,0,0|2,0,0]=4 12861 B13R1.123 CCCCc1cc(cc(c1C)F)N 271570a_100020621405_100010254531 [0,2,0,0,0,0|2,0,0]=4 12862 B13R1.123 CCCCc1cc(cc(c1C)N)C 271570a_100020621405_102495365385 [0,2,0,0,0,0|2,0,0]=4 12863 B13R1.123 CCCCc1cc(cc(c1C)N)Cl 271570a_100020621405_200000050010 [0,2,0,0,0,0|2,0,0]=4 12864 B13R1.123 CCCCc1cc(cc(c1C)N)F 271570a_100020621405_100009814351 [0,2,0,0,0,0|2,0,0]=4 12865 B13R1.123 CCCCc1cc(cc(c1Cl)Cl)Cl 271570a_100020621405_200000042848 [0,2,0,0,0,0|1,0,0]=3 12866 B13R1.123 CCCCc1cc(cc(c1F)C)C 271570a_100020621405_200010204574 [0,2,0,0,0,0|1,1,0]=4 12867 B13R1.123 CCCCc1cc(cc(c1F)C)F 271570a_100020621405_100010291795 [0,2,0,0,0,0|1,1,0]=4 12868 B13R1.123 CCCCc1cc(cc(c1F)Cl)Br 271570a_100020621405_100010270166 [0,2,0,0,0,0|1,1,0]=4 12869 B13R1.123 CCCCc1cc(cc(c1F)F)C 271570a_100020621405_100010141297 [0,2,0,0,0,0|1,1,0]=4 12870 B13R1.123 CCCCc1cc(cc(c1F)F)F 271570a_100020621405_100000724850 [0,2,0,0,0,0|1,1,0]=4 12871 B13R1.123 CCCCc1cc(cc(c1F)F)N 271570a_100020621405_100009816004 [0,2,0,0,0,0|1,1,0]=4 12872 B13R1.123 CCCCc1cc(cc(c1F)N)C 271570a_100020621405_100010589139 [0,2,0,0,0,0|1,1,0]=4 12873 B13R1.123 CCCCc1cc(cc(c1F)N)F 271570a_100020621405_100000722353 [0,2,0,0,0,0|1,1,0]=4 12874 B13R1.123 CCCCc1cc(cc(c1N)Br)Cl 271570a_100020621405_200012970264 [0,2,0,0,0,0|2,0,0]=4 12875 B13R1.123 CCCCc1cc(cc(c1N)C)Br 271570a_100020621405_200000690823 [0,2,0,0,0,0|2,0,0]=4 12876 B13R1.123 CCCCc1cc(cc(c1N)C)C 271570a_100020621405_100000688863 [0,2,0,0,0,0|2,0,0]=4 12877 B13R1.123 CCCCc1cc(cc(c1N)C)Cl 271570a_100020621405_100012344046 [0,2,0,0,0,0|2,0,0]=4 12878 B13R1.123 CCCCc1cc(cc(c1N)C)F 271570a_100020621405_100011216670 [0,2,0,0,0,0|2,0,0]=4 12879 B13R1.123 CCCCc1cc(cc(c1N)Cl)Cl 271570a_100020621405_100011216899 [0,2,0,0,0,0|2,0,0]=4 12880 B13R1.123 CCCCc1cc(cc(c1N)F)Br 271570a_100020621405_100012970276 [0,2,0,0,0,0|2,0,0]=4 12881 B13R1.123 CCCCc1cc(cc(c1N)F)C 271570a_100020621405_100012353694 [0,2,0,0,0,0|2,0,0]=4 12882 B13R1.123 CCCCc1cc(cc(c1N)F)Cl 271570a_100020621405_100011214900 [0,2,0,0,0,0|2,0,0]=4 12883 B13R1.123 CCCCc1cc(cc(c1N)F)F 271570a_100020621405_100000211602 [0,2,0,0,0,0|2,0,0]=4 12884 B13R1.123 CCCCc1cc(cc(c1N)N)C 271570a_100020621405_100012348275 [0,2,0,0,0,0|2,0,0]=4 12885 B13R1.123 CCCCc1cc(cc(c1N)N)F 271570a_100020621405_100011934818 [0,2,0,0,0,0|2,0,0]=4 12886 B13R1.123 CCCCc1cc(cc(c1O)Br)F 271570a_100020621405_200013085147 [0,2,0,0,0,0|2,0,0]=4 12887 B13R1.123 CCCCc1cc(cc(c1O)C)C 271570a_100020621405_100011934984 [0,2,0,0,0,0|2,0,0]=4 12888 B13R1.123 CCCCc1cc(cc(c1O)C)Cl 271570a_100020621405_100012343667 [0,2,0,0,0,0|2,0,0]=4 12889 B13R1.123 CCCCc1cc(cc(c1O)C)N 271570a_100020621405_100010064301 [0,2,0,0,0,0|2,0,0]=4 12890 B13R1.123 CCCCc1cc(cc(c1O)Cl)Cl 271570a_100020621405_200012339341 [0,2,0,0,0,0|2,0,0]=4 12891 B13R1.123 CCCCc1cc(cc(c1O)F)Br 271570a_100020621405_100013354677 [0,2,0,0,0,0|2,0,0]=4 12892 B13R1.123 CCCCc1cc(cc(c1O)F)C 271570a_100020621405_200135191068 [0,2,0,0,0,0|2,0,0]=4 12893 B13R1.123 CCCCc1cc(cc(c1O)F)F 271570a_100020621405_100000688693 [0,2,0,0,0,0|2,0,0]=4 12894 B13R1.123 CCCCc1cc(cc(c1O)N)F 271570a_100020621405_200011217456 [0,2,0,0,0,0|2,0,0]=4 12895 B13R1.123 CCCNc1cc(cc(c1Cl)Cl)Cl 34a_106623411496_100000210303 [0,2,0,0,0,0|2,0,0]=4 12896 B13R1.123 CCCNc1cc(cc(c1Cl)Cl)Cl 7a_106623411496_100000210303 [0,2,0,0,0,0|2,0,0]=4 12897 B13R1.123 CCCNc1cc(cc(c1Cl)F)F 34a_100000037168_100000210303 [0,2,0,0,0,0|2,0,0]=4 12898 B13R1.123 CCCNc1cc(cc(c1Cl)F)F 7a_100000037168_100000210303 [0,2,0,0,0,0|2,0,0]=4 12899 B13R1.123 CCCOc1cc(cc(c1Cl)C)C 34a_100000094344_100000210303 [0,2,0,0,0,0|2,0,0]=4 12900 B13R1.123 CCCOc1cc(cc(c1Cl)C)C 7a_100000094344_100000210303 [0,2,0,0,0,0|2,0,0]=4 12901 B13R1.123 CCCOc1cc(cc(c1Cl)Cl)N 34a_100015839415_100000210303 [0,2,0,0,0,0|2,0,0]=4 12902 B13R1.123 CCCOc1cc(cc(c1Cl)Cl)N 7a_100015839415_100000210303 [0,2,0,0,0,0|2,0,0]=4 12903 B13R1.123 CCCOc1cc(cc(c1Cl)F)Br 34a_100010981968_100000210303 [0,2,0,0,0,0|2,0,0]=4 12904 B13R1.123 CCCOc1cc(cc(c1Cl)F)Br 7a_100010981968_100000210303 [0,2,0,0,0,0|2,0,0]=4 12905 B13R1.123 CCCOc1cc(cc(c1Cl)F)F 34a_200000037661_100000210303 [0,2,0,0,0,0|2,0,0]=4 12906 B13R1.123 CCCOc1cc(cc(c1Cl)F)F 7a_200000037661_100000210303 [0,2,0,0,0,0|2,0,0]=4 12907 B13R1.123 CCCSc1cc(cc(c1Cl)Cl)Cl 62a_100000210303_200000042848 [0,2,0,0,0,0|2,0,0]=4 12908 B13R1.123 CCCSc1cc(cc(c1Cl)Cl)Cl 62a_200000042848_100000210303 [0,2,0,0,0,0|2,0,0]=4 12909 B13R1.123 CCNCc1cc(cc(c1Cl)Br)C 207a_100015525214_200015622410 [0,2,0,0,0,0|2,0,0]=4 12910 B13R1.123 CCNCc1cc(cc(c1Cl)Br)C 270004a_100015525214_200015622410 [0,2,0,0,0,0|2,0,0]=4 12911 B13R1.123 CCNCc1cc(cc(c1Cl)Br)F 207a_100015525214_200011105904 [0,2,0,0,0,0|2,0,0]=4 12912 B13R1.123 CCNCc1cc(cc(c1Cl)Br)F 270004a_100015525214_200011105904 [0,2,0,0,0,0|2,0,0]=4 12913 B13R1.123 CCNCc1cc(cc(c1Cl)Br)I 2230a_100015525214_100021522891 [0,2,0,0,0,0|2,0,0]=4 12914 B13R1.123 CCNCc1cc(cc(c1Cl)Cl)Cl 207a_100015525214_100000043451 [0,2,0,0,0,0|2,0,0]=4 12915 B13R1.123 CCNCc1cc(cc(c1Cl)Cl)Cl 270004a_100015525214_100000043451 [0,2,0,0,0,0|2,0,0]=4 12916 B13R1.123 CCOCc1cc(cc(c1Cl)Br)I 34a_100121572206_100021522891 [0,2,0,0,0,0|2,0,0]=4 12917 B13R1.123 CCOCc1cc(cc(c1Cl)F)F 34a_100015484686_100000210202 [0,2,0,0,0,0|2,0,0]=4 12918 B13R1.123 CCOCc1cc(cc(c1Cl)F)F 7a_100015484686_100000210202 [0,2,0,0,0,0|2,0,0]=4 12919 B13R1.123 CCSCc1cc(cc(c1Cl)Br)I 62a_100000210202_100021522891 [0,2,0,0,0,0|2,0,0]=4 12920 B13R1.123 CCSCc1cc(cc(c1Cl)Br)I 62a_100021522891_100000210202 [0,2,0,0,0,0|2,0,0]=4 12921 B13R1.123 COCSc1cc(cc(c1Cl)Cl)Cl 62a_100000766300_200000042848 [0,2,0,0,0,0|2,0,0]=4 12922 B13R1.123 COCSc1cc(cc(c1Cl)Cl)Cl 62a_200000042848_100000766300 [0,2,0,0,0,0|2,0,0]=4 12923 B13R1.123 CSCNc1cc(cc(c1Cl)Cl)Cl 34a_106623411496_100011218213 [0,2,0,0,0,0|2,0,0]=4 12924 B13R1.123 CSCNc1cc(cc(c1Cl)F)F 34a_100000037168_100011218213 [0,2,0,0,0,0|2,0,0]=4 12925 B13R1.123 CSCOc1cc(cc(c1Cl)C)C 34a_100000094344_100011218213 [0,2,0,0,0,0|2,0,0]=4 12926 B13R1.123 CSCOc1cc(cc(c1Cl)Cl)N 34a_100015839415_100011218213 [0,2,0,0,0,0|2,0,0]=4 12927 B13R1.123 CSCOc1cc(cc(c1Cl)F)Br 34a_100010981968_100011218213 [0,2,0,0,0,0|2,0,0]=4 12928 B13R1.123 CSCOc1cc(cc(c1Cl)F)F 34a_200000037661_100011218213 [0,2,0,0,0,0|2,0,0]=4 12929 B13R1.123 CSCSc1cc(cc(c1Cl)Cl)Cl 62a_100011218213_200000042848 [0,2,0,0,0,0|2,0,0]=4 12930 B13R1.123 CSCSc1cc(cc(c1Cl)Cl)Cl 62a_200000042848_100011218213 [0,2,0,0,0,0|2,0,0]=4 12931 B13R1.150 C=C(C)CNc1cccc(c1Cl)Br 34a_100000687075_100000748629 [0,2,0,0,0,0|2,0,0]=4 12932 B13R1.150 C=C(C)CNc1cccc(c1Cl)C 34a_100000765562_100000748629 [0,2,0,0,0,0|2,0,0]=4 12933 B13R1.150 C=C(C)CNc1cccc(c1Cl)C 7a_100000765562_100000748629 [0,2,0,0,0,0|2,0,0]=4 12934 B13R1.150 C=C(C)CNc1cccc(c1Cl)Cl 34a_100000185733_100000748629 [0,2,0,0,0,0|2,0,0]=4 12935 B13R1.150 C=C(C)CNc1cccc(c1Cl)F 34a_100000692321_100000748629 [0,2,0,0,0,0|2,0,0]=4 12936 B13R1.150 C=C(C)CNc1cccc(c1Cl)O 34a_100012002038_100000748629 [0,2,0,0,0,0|2,0,0]=4 12937 B13R1.150 C=C(C)CNc1cccc(c1Cl)O 7a_100012002038_100000748629 [0,2,0,0,0,0|2,0,0]=4 12938 B13R1.150 C=C(C)COc1cccc(c1Cl)Br 34a_100010187913_100000748629 [0,2,0,0,0,0|2,0,0]=4 12939 B13R1.150 C=C(C)COc1cccc(c1Cl)Br 7a_100010187913_100000748629 [0,2,0,0,0,0|2,0,0]=4 12940 B13R1.150 C=C(C)COc1cccc(c1Cl)C 34a_100000695629_100000748629 [0,2,0,0,0,0|2,0,0]=4 12941 B13R1.150 C=C(C)COc1cccc(c1Cl)C 7a_100000695629_100000748629 [0,2,0,0,0,0|2,0,0]=4 12942 B13R1.150 C=C(C)COc1cccc(c1Cl)Cl 34a_100000211076_100000748629 [0,2,0,0,0,0|2,0,0]=4 12943 B13R1.150 C=C(C)COc1cccc(c1Cl)Cl 7a_100000211076_100000748629 [0,2,0,0,0,0|2,0,0]=4 12944 B13R1.150 C=C(C)COc1cccc(c1Cl)F 34a_100000087408_100000748629 [0,2,0,0,0,0|2,0,0]=4 12945 B13R1.150 C=C(C)COc1cccc(c1Cl)F 7a_100000087408_100000748629 [0,2,0,0,0,0|2,0,0]=4 12946 B13R1.150 C=C(C)COc1cccc(c1Cl)I 34a_100000049636_100000748629 [0,2,0,0,0,0|2,0,0]=4 12947 B13R1.150 C=C(C)COc1cccc(c1Cl)I 7a_100000049636_100000748629 [0,2,0,0,0,0|2,0,0]=4 12948 B13R1.150 C=C(C)COc1cccc(c1Cl)N 34a_100012002038_100000748629 [0,2,0,0,0,0|2,0,0]=4 12949 B13R1.150 C=C(C)COc1cccc(c1Cl)N 7a_100012002038_100000748629 [0,2,0,0,0,0|2,0,0]=4 12950 B13R1.150 C=C(C)CSc1cccc(c1Cl)Br 62a_100000748629_100010142854 [0,2,0,0,0,0|2,0,0]=4 12951 B13R1.150 C=C(C)CSc1cccc(c1Cl)Br 62a_100010142854_100000211660 [0,2,0,0,0,0|2,0,0]=4 12952 B13R1.150 C=C(C)CSc1cccc(c1Cl)C 62a_100000748629_200012352035 [0,2,0,0,0,0|2,0,0]=4 12953 B13R1.150 C=C(C)CSc1cccc(c1Cl)C 62a_200012352035_100000211660 [0,2,0,0,0,0|2,0,0]=4 12954 B13R1.150 C=C(C)CSc1cccc(c1Cl)Cl 62a_100000748629_100011215384 [0,2,0,0,0,0|2,0,0]=4 12955 B13R1.150 C=C(C)CSc1cccc(c1Cl)Cl 62a_100011215384_100000211660 [0,2,0,0,0,0|2,0,0]=4 12956 B13R1.150 C=C(C)CSc1cccc(c1Cl)F 62a_100000748629_200010234923 [0,2,0,0,0,0|2,0,0]=4 12957 B13R1.150 C=C(C)CSc1cccc(c1Cl)F 62a_200010234923_100000211660 [0,2,0,0,0,0|2,0,0]=4 12958 B13R1.150 C=C(C)CSc1cccc(c1Cl)O 62a_100000748629_100000049636 [0,2,0,0,0,0|2,0,0]=4 12959 B13R1.150 CC(=O)CCc1cccc(c1C)C 1458a_100011218151_200000210301 [0,2,0,0,0,0|2,0,0]=4 12960 B13R1.150 CC(=O)CCc1cccc(c1C)F 1458a_100000069055_200000210301 [0,2,0,0,0,0|2,0,0]=4 12961 B13R1.150 CC(=O)CCc1cccc(c1Cl)Cl 1458a_100000070787_100000723033 [0,2,0,0,0,0|1,0,0]=3 12962 B13R1.150 CC(=O)CCc1cccc(c1Cl)Cl 1458a_100000739359_200000210301 [0,2,0,0,0,0|1,0,0]=3 12963 B13R1.150 CC(=O)CCc1cccc(c1F)Br 1458a_100012349569_200000210301 [0,2,0,0,0,0|1,1,0]=4 12964 B13R1.150 CC(=O)CCc1cccc(c1F)Cl 1458a_100012349026_200000210301 [0,2,0,0,0,0|1,1,0]=4 12965 B13R1.150 CC(=O)CCc1cccc(c1F)F 1458a_100000748811_200000210301 [0,2,0,0,0,0|1,1,0]=4 12966 B13R1.150 CC(=O)CCc1cccc(c1O)O 1458a_100009873524_200000210301 [0,2,0,0,0,0|2,0,0]=4 12967 B13R1.150 CC(=O)COc1cccc(c1Cl)Cl 1458a_100000191259_200000210301 [0,2,0,0,0,0|2,0,0]=4 12968 B13R1.150 CC(=O)NCc1cccc(c1Cl)C 11a_100025705714_100015343762 [0,2,0,0,0,0|2,0,0]=4 12969 B13R1.150 CC(=O)NCc1cccc(c1Cl)C 1626a_100025705714_100015343762 [0,2,0,0,0,0|2,0,0]=4 12970 B13R1.150 CC(=O)NCc1cccc(c1Cl)C 240690a_100025705714_100015343762 [0,2,0,0,0,0|2,0,0]=4 12971 B13R1.150 CC(=O)NCc1cccc(c1Cl)C 527a_100025705714_100103153847 [0,2,0,0,0,0|2,0,0]=4 12972 B13R1.150 CC(=O)NCc1cccc(c1Cl)Cl 11a_100011211633_100015343762 [0,2,0,0,0,0|2,0,0]=4 12973 B13R1.150 CC(=O)NCc1cccc(c1Cl)Cl 1626a_100011211633_100015343762 [0,2,0,0,0,0|2,0,0]=4 12974 B13R1.150 CC(=O)NCc1cccc(c1Cl)Cl 240690a_100011211633_100015343762 [0,2,0,0,0,0|2,0,0]=4 12975 B13R1.150 CC(=O)NCc1cccc(c1Cl)Cl 527a_100011211633_100103153847 [0,2,0,0,0,0|2,0,0]=4 12976 B13R1.150 CC(=O)NCc1cccc(c1Cl)F 11a_100012001614_100015343762 [0,2,0,0,0,0|2,0,0]=4 12977 B13R1.150 CC(=O)NCc1cccc(c1Cl)F 1626a_100012001614_100015343762 [0,2,0,0,0,0|2,0,0]=4 12978 B13R1.150 CC(=O)NCc1cccc(c1Cl)F 240690a_100012001614_100015343762 [0,2,0,0,0,0|2,0,0]=4 12979 B13R1.150 CC(=O)NCc1cccc(c1Cl)F 527a_100012001614_100103153847 [0,2,0,0,0,0|2,0,0]=4 12980 B13R1.150 CC(C)CNc1cccc(c1Cl)Br 34a_100000687075_100000210624 [0,2,0,0,0,0|2,0,0]=4 12981 B13R1.150 CC(C)CNc1cccc(c1Cl)Cl 34a_100000185733_100000210624 [0,2,0,0,0,0|2,0,0]=4 12982 B13R1.150 CC(C)CNc1cccc(c1Cl)F 34a_100000692321_100000210624 [0,2,0,0,0,0|2,0,0]=4 12983 B13R1.150 CC(C)CNc1cccc(c1Cl)O 34a_100012002038_100000210624 [0,2,0,0,0,0|2,0,0]=4 12984 B13R1.150 CC(C)CNc1cccc(c1Cl)O 7a_100012002038_100000210760 [0,2,0,0,0,0|2,0,0]=4 12985 B13R1.150 CC(C)COc1cccc(c1Cl)Br 34a_100010187913_100000210624 [0,2,0,0,0,0|2,0,0]=4 12986 B13R1.150 CC(C)COc1cccc(c1Cl)Br 7a_100010187913_100000210760 [0,2,0,0,0,0|2,0,0]=4 12987 B13R1.150 CC(C)COc1cccc(c1Cl)Cl 34a_100000211076_100000210624 [0,2,0,0,0,0|2,0,0]=4 12988 B13R1.150 CC(C)COc1cccc(c1Cl)Cl 7a_100000211076_100000210760 [0,2,0,0,0,0|2,0,0]=4 12989 B13R1.150 CC(C)COc1cccc(c1Cl)F 34a_100000087408_100000210624 [0,2,0,0,0,0|2,0,0]=4 12990 B13R1.150 CC(C)COc1cccc(c1Cl)F 7a_100000087408_100000210760 [0,2,0,0,0,0|2,0,0]=4 12991 B13R1.150 CC(C)COc1cccc(c1Cl)I 34a_100000049636_100000210624 [0,2,0,0,0,0|2,0,0]=4 12992 B13R1.150 CC(C)COc1cccc(c1Cl)I 7a_100000049636_100000210760 [0,2,0,0,0,0|2,0,0]=4 12993 B13R1.150 CC(C)COc1cccc(c1Cl)N 34a_100012002038_100000210624 [0,2,0,0,0,0|2,0,0]=4 12994 B13R1.150 CC(C)COc1cccc(c1Cl)N 7a_100012002038_100000210760 [0,2,0,0,0,0|2,0,0]=4 12995 B13R1.150 CC(C)CSc1cccc(c1Cl)Br 62a_100000210624_100010142854 [0,2,0,0,0,0|2,0,0]=4 12996 B13R1.150 CC(C)CSc1cccc(c1Cl)Br 62a_100010142854_100000210760 [0,2,0,0,0,0|2,0,0]=4 12997 B13R1.150 CC(C)CSc1cccc(c1Cl)Cl 62a_100000210624_100011215384 [0,2,0,0,0,0|2,0,0]=4 12998 B13R1.150 CC(C)CSc1cccc(c1Cl)Cl 62a_100011215384_100000210760 [0,2,0,0,0,0|2,0,0]=4 12999 B13R1.150 CC(C)CSc1cccc(c1Cl)F 62a_100000210624_200010234923 [0,2,0,0,0,0|2,0,0]=4 13000 B13R1.150 CC(C)CSc1cccc(c1Cl)F 62a_200010234923_100000210760 [0,2,0,0,0,0|2,0,0]=4 13001 B13R1.150 CC(C)CSc1cccc(c1Cl)O 62a_100000210624_100000049636 [0,2,0,0,0,0|2,0,0]=4 13002 B13R1.150 CC(C)NCc1cccc(c1Cl)Br 207a_100138425928_100012362481 [0,2,0,0,0,0|2,0,0]=4 13003 B13R1.150 CC(C)NCc1cccc(c1Cl)Br 2230a_100138425928_100012349491 [0,2,0,0,0,0|2,0,0]=4 13004 B13R1.150 CC(C)NCc1cccc(c1Cl)Br 34a_100138425928_100012349491 [0,2,0,0,0,0|2,0,0]=4 13005 B13R1.150 CC(C)NCc1cccc(c1Cl)Cl 207a_100138425928_100000210504 [0,2,0,0,0,0|2,0,0]=4 13006 B13R1.150 CC(C)NCc1cccc(c1Cl)Cl 2230a_100011211633_100000210206 [0,2,0,0,0,0|2,0,0]=4 13007 B13R1.150 CC(C)NCc1cccc(c1Cl)Cl 2230a_100138425928_100000723366 [0,2,0,0,0,0|2,0,0]=4 13008 B13R1.150 CC(C)NCc1cccc(c1Cl)Cl 34a_100011211633_100000210206 [0,2,0,0,0,0|2,0,0]=4 13009 B13R1.150 CC(C)NCc1cccc(c1Cl)Cl 34a_100138425928_100000723366 [0,2,0,0,0,0|2,0,0]=4 13010 B13R1.150 CC(C)NCc1cccc(c1Cl)F 207a_100138425928_100011998484 [0,2,0,0,0,0|2,0,0]=4 13011 B13R1.150 CC(C)NCc1cccc(c1Cl)F 2230a_100012001614_100000210206 [0,2,0,0,0,0|2,0,0]=4 13012 B13R1.150 CC(C)NCc1cccc(c1Cl)F 2230a_100138425928_100000696688 [0,2,0,0,0,0|2,0,0]=4 13013 B13R1.150 CC(C)NCc1cccc(c1Cl)F 34a_100012001614_100000210206 [0,2,0,0,0,0|2,0,0]=4 13014 B13R1.150 CC(C)NCc1cccc(c1Cl)F 34a_100138425928_100000696688 [0,2,0,0,0,0|2,0,0]=4 13015 B13R1.150 CC(C)OCc1cccc(c1Cl)Br 34a_100000212225_100012349491 [0,2,0,0,0,0|2,0,0]=4 13016 B13R1.150 CC(C)OCc1cccc(c1Cl)Br 34a_100012351182_100000210206 [0,2,0,0,0,0|2,0,0]=4 13017 B13R1.150 CC(C)OCc1cccc(c1Cl)Br 7a_100012351182_100000210206 [0,2,0,0,0,0|2,0,0]=4 13018 B13R1.150 CC(C)OCc1cccc(c1Cl)Cl 34a_100000212225_100000723366 [0,2,0,0,0,0|2,0,0]=4 13019 B13R1.150 CC(C)OCc1cccc(c1Cl)Cl 34a_100000720469_100000210206 [0,2,0,0,0,0|2,0,0]=4 13020 B13R1.150 CC(C)OCc1cccc(c1Cl)Cl 7a_100000720469_100000210206 [0,2,0,0,0,0|2,0,0]=4 13021 B13R1.150 CC(C)OCc1cccc(c1Cl)F 34a_100000212225_100000696688 [0,2,0,0,0,0|2,0,0]=4 13022 B13R1.150 CC(C)OCc1cccc(c1Cl)F 34a_100000696319_100000210206 [0,2,0,0,0,0|2,0,0]=4 13023 B13R1.150 CC(C)OCc1cccc(c1Cl)F 7a_100000696319_100000210206 [0,2,0,0,0,0|2,0,0]=4 13024 B13R1.150 CC(C)SCc1cccc(c1Cl)Br 62a_100000210206_100012349491 [0,2,0,0,0,0|2,0,0]=4 13025 B13R1.150 CC(C)SCc1cccc(c1Cl)Br 62a_100012349491_100000210206 [0,2,0,0,0,0|2,0,0]=4 13026 B13R1.150 CC(C)SCc1cccc(c1Cl)Cl 62a_100000210206_100000723366 [0,2,0,0,0,0|2,0,0]=4 13027 B13R1.150 CC(C)SCc1cccc(c1Cl)Cl 62a_100000720918_100000210206 [0,2,0,0,0,0|2,0,0]=4 13028 B13R1.150 CC(C)SCc1cccc(c1Cl)F 62a_100000210206_100000696688 [0,2,0,0,0,0|2,0,0]=4 13029 B13R1.150 CC(C)SCc1cccc(c1Cl)F 62a_100000696688_100000210206 [0,2,0,0,0,0|2,0,0]=4 13030 B13R1.150 CC(O)CNc1cccc(c1Cl)Br 34a_100000687075_100011218427 [0,2,0,0,0,0|2,0,0]=4 13031 B13R1.150 CC(O)CNc1cccc(c1Cl)Cl 34a_100000185733_100011218427 [0,2,0,0,0,0|2,0,0]=4 13032 B13R1.150 CC(O)CNc1cccc(c1Cl)F 34a_100000692321_100011218427 [0,2,0,0,0,0|2,0,0]=4 13033 B13R1.150 CC(O)CNc1cccc(c1Cl)O 34a_100012002038_100011218427 [0,2,0,0,0,0|2,0,0]=4 13034 B13R1.150 CC(O)CNc1cccc(c1Cl)O 7a_100012002038_100011218427 [0,2,0,0,0,0|2,0,0]=4 13035 B13R1.150 CC(O)COc1cccc(c1Cl)Br 34a_100010187913_100011218427 [0,2,0,0,0,0|2,0,0]=4 13036 B13R1.150 CC(O)COc1cccc(c1Cl)Br 7a_100010187913_100011218427 [0,2,0,0,0,0|2,0,0]=4 13037 B13R1.150 CC(O)COc1cccc(c1Cl)Cl 34a_100000211076_100011218427 [0,2,0,0,0,0|2,0,0]=4 13038 B13R1.150 CC(O)COc1cccc(c1Cl)Cl 7a_100000211076_100011218427 [0,2,0,0,0,0|2,0,0]=4 13039 B13R1.150 CC(O)COc1cccc(c1Cl)F 34a_100000087408_100011218427 [0,2,0,0,0,0|2,0,0]=4 13040 B13R1.150 CC(O)COc1cccc(c1Cl)F 7a_100000087408_100011218427 [0,2,0,0,0,0|2,0,0]=4 13041 B13R1.150 CC(O)COc1cccc(c1Cl)I 34a_100000049636_100011218427 [0,2,0,0,0,0|2,0,0]=4 13042 B13R1.150 CC(O)COc1cccc(c1Cl)I 7a_100000049636_100011218427 [0,2,0,0,0,0|2,0,0]=4 13043 B13R1.150 CC(O)COc1cccc(c1Cl)N 34a_100012002038_100011218427 [0,2,0,0,0,0|2,0,0]=4 13044 B13R1.150 CC(O)COc1cccc(c1Cl)N 7a_100012002038_100011218427 [0,2,0,0,0,0|2,0,0]=4 13045 B13R1.150 CC(O)CSc1cccc(c1Cl)Br 62a_100010142854_100011218427 [0,2,0,0,0,0|2,0,0]=4 13046 B13R1.150 CC(O)CSc1cccc(c1Cl)Br 62a_100011218427_100010142854 [0,2,0,0,0,0|2,0,0]=4 13047 B13R1.150 CC(O)CSc1cccc(c1Cl)Cl 62a_100011215384_100011218427 [0,2,0,0,0,0|2,0,0]=4 13048 B13R1.150 CC(O)CSc1cccc(c1Cl)Cl 62a_100011218427_100011215384 [0,2,0,0,0,0|2,0,0]=4 13049 B13R1.150 CC(O)CSc1cccc(c1Cl)F 62a_100011218427_200010234923 [0,2,0,0,0,0|2,0,0]=4 13050 B13R1.150 CC(O)CSc1cccc(c1Cl)F 62a_200010234923_100011218427 [0,2,0,0,0,0|2,0,0]=4 13051 B13R1.150 CC(O)CSc1cccc(c1Cl)O 62a_100011218427_100000049636 [0,2,0,0,0,0|2,0,0]=4 13052 B13R1.150 CN(C)CCc1cccc(c1Cl)Cl 2230a_100102631434_100000723033 [0,2,0,0,0,0|0,0,0]=2 13053 B13R1.150 CN(C)CCc1cccc(c1Cl)Cl 269982a_100102631434_100000723033 [0,2,0,0,0,0|0,0,0]=2 13054 B13R1.150 C[C@@H](O)CNc1cccc(c1Cl)Br 34a_100000687075_100009817552 [0,2,0,0,0,0|2,0,0]=4 13055 B13R1.150 C[C@@H](O)CNc1cccc(c1Cl)Cl 34a_100000185733_100009817552 [0,2,0,0,0,0|2,0,0]=4 13056 B13R1.150 C[C@@H](O)CNc1cccc(c1Cl)F 34a_100000692321_100009817552 [0,2,0,0,0,0|2,0,0]=4 13057 B13R1.150 C[C@@H](O)CNc1cccc(c1Cl)O 34a_100012002038_100009817552 [0,2,0,0,0,0|2,0,0]=4 13058 B13R1.150 C[C@@H](O)CNc1cccc(c1Cl)O 7a_100012002038_100009817552 [0,2,0,0,0,0|2,0,0]=4 13059 B13R1.150 C[C@@H](O)COc1cccc(c1Cl)Br 34a_100010187913_100009817552 [0,2,0,0,0,0|2,0,0]=4 13060 B13R1.150 C[C@@H](O)COc1cccc(c1Cl)Br 7a_100010187913_100009817552 [0,2,0,0,0,0|2,0,0]=4 13061 B13R1.150 C[C@@H](O)COc1cccc(c1Cl)Cl 34a_100000211076_100009817552 [0,2,0,0,0,0|2,0,0]=4 13062 B13R1.150 C[C@@H](O)COc1cccc(c1Cl)Cl 7a_100000211076_100009817552 [0,2,0,0,0,0|2,0,0]=4 13063 B13R1.150 C[C@@H](O)COc1cccc(c1Cl)F 34a_100000087408_100009817552 [0,2,0,0,0,0|2,0,0]=4 13064 B13R1.150 C[C@@H](O)COc1cccc(c1Cl)F 7a_100000087408_100009817552 [0,2,0,0,0,0|2,0,0]=4 13065 B13R1.150 C[C@@H](O)COc1cccc(c1Cl)I 34a_100000049636_100009817552 [0,2,0,0,0,0|2,0,0]=4 13066 B13R1.150 C[C@@H](O)COc1cccc(c1Cl)I 7a_100000049636_100009817552 [0,2,0,0,0,0|2,0,0]=4 13067 B13R1.150 C[C@@H](O)COc1cccc(c1Cl)N 34a_100012002038_100009817552 [0,2,0,0,0,0|2,0,0]=4 13068 B13R1.150 C[C@@H](O)COc1cccc(c1Cl)N 7a_100012002038_100009817552 [0,2,0,0,0,0|2,0,0]=4 13069 B13R1.150 C[C@@H](O)CSc1cccc(c1Cl)Br 62a_100009817552_100010142854 [0,2,0,0,0,0|2,0,0]=4 13070 B13R1.150 C[C@@H](O)CSc1cccc(c1Cl)Br 62a_100010142854_100009817552 [0,2,0,0,0,0|2,0,0]=4 13071 B13R1.150 C[C@@H](O)CSc1cccc(c1Cl)Cl 62a_100009817552_100011215384 [0,2,0,0,0,0|2,0,0]=4 13072 B13R1.150 C[C@@H](O)CSc1cccc(c1Cl)Cl 62a_100011215384_100009817552 [0,2,0,0,0,0|2,0,0]=4 13073 B13R1.150 C[C@@H](O)CSc1cccc(c1Cl)F 62a_100009817552_200010234923 [0,2,0,0,0,0|2,0,0]=4 13074 B13R1.150 C[C@@H](O)CSc1cccc(c1Cl)F 62a_200010234923_100009817552 [0,2,0,0,0,0|2,0,0]=4 13075 B13R1.150 C[C@@H](O)CSc1cccc(c1Cl)O 62a_100009817552_100000049636 [0,2,0,0,0,0|2,0,0]=4 13076 B13R1.150 Cc1c(cccc1CCC(=O)[13CH3])F 1458a_100000069055_200025704644 [0,2,0,0,0,0|2,0,0]=4 13077 B13R1.150 Cc1cccc(c1C)CCC(=O)[13CH3] 1458a_100011218151_200025704644 [0,2,0,0,0,0|2,0,0]=4 13078 B13R1.150 Cc1cccc(c1Cl)CNC(C)C 207a_100138425928_100012017286 [0,2,0,0,0,0|2,0,0]=4 13079 B13R1.150 Cc1cccc(c1Cl)CNC(C)C 2230a_100025705714_100000210206 [0,2,0,0,0,0|2,0,0]=4 13080 B13R1.150 Cc1cccc(c1Cl)CNC(C)C 34a_100025705714_100000210206 [0,2,0,0,0,0|2,0,0]=4 13081 B13R1.150 Cc1cccc(c1Cl)COC(C)C 34a_100000710031_100000210206 [0,2,0,0,0,0|2,0,0]=4 13082 B13R1.150 Cc1cccc(c1Cl)COC(C)C 7a_100000710031_100000210206 [0,2,0,0,0,0|2,0,0]=4 13083 B13R1.150 Cc1cccc(c1Cl)NCC(C)C 34a_100000765562_100000210624 [0,2,0,0,0,0|2,0,0]=4 13084 B13R1.150 Cc1cccc(c1Cl)NCC(C)C 7a_100000765562_100000210760 [0,2,0,0,0,0|2,0,0]=4 13085 B13R1.150 Cc1cccc(c1Cl)NCC(C)O 34a_100000765562_100011218427 [0,2,0,0,0,0|2,0,0]=4 13086 B13R1.150 Cc1cccc(c1Cl)NCC(C)O 7a_100000765562_100011218427 [0,2,0,0,0,0|2,0,0]=4 13087 B13R1.150 Cc1cccc(c1Cl)NC[C@@H](C)O 34a_100000765562_100009817552 [0,2,0,0,0,0|2,0,0]=4 13088 B13R1.150 Cc1cccc(c1Cl)NC[C@@H](C)O 7a_100000765562_100009817552 [0,2,0,0,0,0|2,0,0]=4 13089 B13R1.150 Cc1cccc(c1Cl)OCC(C)C 34a_100000695629_100000210624 [0,2,0,0,0,0|2,0,0]=4 13090 B13R1.150 Cc1cccc(c1Cl)OCC(C)C 7a_100000695629_100000210760 [0,2,0,0,0,0|2,0,0]=4 13091 B13R1.150 Cc1cccc(c1Cl)OCC(C)O 34a_100000695629_100011218427 [0,2,0,0,0,0|2,0,0]=4 13092 B13R1.150 Cc1cccc(c1Cl)OCC(C)O 7a_100000695629_100011218427 [0,2,0,0,0,0|2,0,0]=4 13093 B13R1.150 Cc1cccc(c1Cl)OC[C@@H](C)O 34a_100000695629_100009817552 [0,2,0,0,0,0|2,0,0]=4 13094 B13R1.150 Cc1cccc(c1Cl)OC[C@@H](C)O 7a_100000695629_100009817552 [0,2,0,0,0,0|2,0,0]=4 13095 B13R1.150 Cc1cccc(c1Cl)SCC(C)C 62a_100000210624_200012352035 [0,2,0,0,0,0|2,0,0]=4 13096 B13R1.150 Cc1cccc(c1Cl)SCC(C)C 62a_200012352035_100000210760 [0,2,0,0,0,0|2,0,0]=4 13097 B13R1.150 Cc1cccc(c1Cl)SCC(C)O 62a_100011218427_200012352035 [0,2,0,0,0,0|2,0,0]=4 13098 B13R1.150 Cc1cccc(c1Cl)SCC(C)O 62a_200012352035_100011218427 [0,2,0,0,0,0|2,0,0]=4 13099 B13R1.150 Cc1cccc(c1Cl)SC[C@@H](C)O 62a_100009817552_200012352035 [0,2,0,0,0,0|2,0,0]=4 13100 B13R1.150 Cc1cccc(c1Cl)SC[C@@H](C)O 62a_200012352035_100009817552 [0,2,0,0,0,0|2,0,0]=4 13101 B13R1.150 [13CH3]C(=O)CCc1cccc(c1Cl)Cl 1458a_100000739359_200025704644 [0,2,0,0,0,0|1,0,0]=3 13102 B13R1.150 [13CH3]C(=O)CCc1cccc(c1F)Br 1458a_100012349569_200025704644 [0,2,0,0,0,0|1,1,0]=4 13103 B13R1.150 [13CH3]C(=O)CCc1cccc(c1F)Cl 1458a_100012349026_200025704644 [0,2,0,0,0,0|1,1,0]=4 13104 B13R1.150 [13CH3]C(=O)CCc1cccc(c1F)F 1458a_100000748811_200025704644 [0,2,0,0,0,0|1,1,0]=4 13105 B13R1.150 [13CH3]C(=O)CCc1cccc(c1O)O 1458a_100009873524_200025704644 [0,2,0,0,0,0|2,0,0]=4 13106 B13R1.150 [13CH3]C(=O)COc1cccc(c1Cl)Cl 1458a_100000191259_200025704644 [0,2,0,0,0,0|2,0,0]=4 13107 B13R1.569 CCCCc1cccc(c1Br)CO 271570a_100020621405_100010240205 [0,2,0,0,0,0|1,1,0]=4 13108 B13R1.569 CCCCc1cccc(c1C)C#N 271570a_100020621405_100000721996 [0,2,0,0,0,0|2,0,0]=4 13109 B13R1.569 CCCCc1cccc(c1C)C=O 271570a_100020621405_100012179384 [0,2,0,0,0,0|2,0,0]=4 13110 B13R1.569 CCCCc1cccc(c1C)CN 271570a_100020621405_100000724210 [0,2,0,0,0,0|2,0,0]=4 13111 B13R1.569 CCCCc1cccc(c1C)CO 271570a_100020621405_100000694458 [0,2,0,0,0,0|2,0,0]=4 13112 B13R1.569 CCCCc1cccc(c1C)OC 271570a_100020621405_100010002647 [0,2,0,0,0,0|2,0,0]=4 13113 B13R1.569 CCCCc1cccc(c1Cl)OC 271570a_100020621405_100010147677 [0,2,0,0,0,0|1,0,0]=3 13114 B13R1.569 CCCCc1cccc(c1F)C#N 271570a_100020621405_100011934600 [0,2,0,0,0,0|1,1,0]=4 13115 B13R1.569 CCCCc1cccc(c1F)C=O 271570a_100020621405_100000766533 [0,2,0,0,0,0|1,1,0]=4 13116 B13R1.569 CCCCc1cccc(c1F)CN 271570a_100020621405_100015189953 [0,2,0,0,0,0|1,1,0]=4 13117 B13R1.569 CCCCc1cccc(c1F)CO 271570a_100020621405_100011935076 [0,2,0,0,0,0|1,1,0]=4 13118 B13R1.569 CCCCc1cccc(c1F)OC 271570a_100020621405_100010185846 [0,2,0,0,0,0|1,1,0]=4 13119 B13R1.569 CCCCc1cccc(c1N)C#N 271570a_100020621405_100000690598 [0,2,0,0,0,0|2,0,0]=4 13120 B13R1.569 CCCCc1cccc(c1N)C=O 271570a_100020621405_100010144990 [0,2,0,0,0,0|2,0,0]=4 13121 B13R1.569 CCCCc1cccc(c1N)CO 271570a_100020621405_100012349457 [0,2,0,0,0,0|2,0,0]=4 13122 B13R1.569 CCCCc1cccc(c1N)NC 271570a_100020621405_100000695761 [0,2,0,0,0,0|2,0,0]=4 13123 B13R1.569 CCCCc1cccc(c1N)OC 271570a_100020621405_100000708083 [0,2,0,0,0,0|2,0,0]=4 13124 B13R1.569 CCCCc1cccc(c1O)C#N 271570a_100020621405_100009817103 [0,2,0,0,0,0|2,0,0]=4 13125 B13R1.569 CCCCc1cccc(c1O)C=O 271570a_100020621405_100000737635 [0,2,0,0,0,0|2,0,0]=4 13126 B13R1.569 CCCCc1cccc(c1O)CC 271570a_100020621405_200010001580 [0,2,0,0,0,0|2,0,0]=4 13127 B13R1.569 CCCCc1cccc(c1O)OC 271570a_100020621405_100000686866 [0,2,0,0,0,0|2,0,0]=4 13128 B13R1.569 CCCNc1cccc(c1Cl)C#N 34a_100012184300_100000210303 [0,2,0,0,0,0|2,0,0]=4 13129 B13R1.569 CCCNc1cccc(c1Cl)OC 34a_100000089720_100000210303 [0,2,0,0,0,0|2,0,0]=4 13130 B13R1.569 CCCOc1cccc(c1Cl)C#N 34a_200009871651_100000210303 [0,2,0,0,0,0|2,0,0]=4 13131 B13R1.569 CCCOc1cccc(c1Cl)C#N 7a_200009871651_100000210303 [0,2,0,0,0,0|2,0,0]=4 13132 B13R1.569 CCCOc1cccc(c1Cl)OC 34a_100000087810_100000210303 [0,2,0,0,0,0|2,0,0]=4 13133 B13R1.569 CCCOc1cccc(c1Cl)OC 7a_100000087810_100000210303 [0,2,0,0,0,0|2,0,0]=4 13134 B13R1.569 CCCSc1cccc(c1Cl)OC 62a_100000210303_100010147677 [0,2,0,0,0,0|2,0,0]=4 13135 B13R1.569 CCCSc1cccc(c1Cl)OC 62a_100010147677_100000210303 [0,2,0,0,0,0|2,0,0]=4 13136 B13R1.569 CCNCc1cccc(c1Cl)C#N 2230a_100015525214_100010147161 [0,2,0,0,0,0|2,0,0]=4 13137 B13R1.569 CCNCc1cccc(c1Cl)OC 207a_100015525214_100000068750 [0,2,0,0,0,0|2,0,0]=4 13138 B13R1.569 CCNCc1cccc(c1Cl)OC 2230a_100015525214_200010147866 [0,2,0,0,0,0|2,0,0]=4 13139 B13R1.569 CCNCc1cccc(c1Cl)OC 270004a_100015525214_100000068750 [0,2,0,0,0,0|2,0,0]=4 13140 B13R1.569 CCOCc1cccc(c1Cl)OC 34a_100121572206_200010147866 [0,2,0,0,0,0|2,0,0]=4 13141 B13R1.569 CCSCc1cccc(c1Cl)C#N 62a_100000210202_100010147161 [0,2,0,0,0,0|2,0,0]=4 13142 B13R1.569 CCSCc1cccc(c1Cl)OC 62a_100000210202_200010147866 [0,2,0,0,0,0|2,0,0]=4 13143 B13R1.569 CCSCc1cccc(c1Cl)OC 62a_200010147866_100000210202 [0,2,0,0,0,0|2,0,0]=4 13144 B13R1.569 COCSc1cccc(c1Cl)OC 62a_100000766300_100010147677 [0,2,0,0,0,0|2,0,0]=4 13145 B13R1.569 COCSc1cccc(c1Cl)OC 62a_100010147677_100000766300 [0,2,0,0,0,0|2,0,0]=4 13146 B13R1.569 COc1cccc(c1Cl)NCSC 34a_100000089720_100011218213 [0,2,0,0,0,0|2,0,0]=4 13147 B13R1.569 COc1cccc(c1Cl)OCSC 34a_100000087810_100011218213 [0,2,0,0,0,0|2,0,0]=4 13148 B13R1.569 COc1cccc(c1Cl)SCSC 62a_100010147677_100011218213 [0,2,0,0,0,0|2,0,0]=4 13149 B13R1.569 COc1cccc(c1Cl)SCSC 62a_100011218213_100010147677 [0,2,0,0,0,0|2,0,0]=4 13150 B13R1.569 CSCNc1cccc(c1Cl)C#N 34a_100012184300_100011218213 [0,2,0,0,0,0|2,0,0]=4 13151 B13R1.569 CSCOc1cccc(c1Cl)C#N 34a_200009871651_100011218213 [0,2,0,0,0,0|2,0,0]=4 13152 B13R1.3395 CCCCc1c(ccc(c1C)F)C 271570a_100020621405_100011068659 [0,2,0,0,0,0|2,0,0]=4 13153 B13R1.3395 CCCCc1c(ccc(c1C)F)F 271570a_100020621405_100010167959 [0,2,0,0,0,0|1,1,0]=4 13154 B13R1.3395 CCCCc1c(ccc(c1C)N)C 271570a_100020621405_106354213274 [0,2,0,0,0,0|2,0,0]=4 13155 B13R1.3395 CCCCc1c(ccc(c1C)O)C 271570a_100020621405_100010659238 [0,2,0,0,0,0|2,0,0]=4 13156 B13R1.3395 CCCCc1c(ccc(c1Cl)Br)N 271570a_100020621405_200010779962 [0,2,0,0,0,0|1,0,0]=3 13157 B13R1.3395 CCCCc1c(ccc(c1Cl)Cl)Cl 271570a_100020621405_200010170825 [0,2,0,0,0,0|1,0,0]=3 13158 B13R1.3395 CCCCc1c(ccc(c1Cl)Cl)F 271570a_100020621405_200015697950 [0,2,0,0,0,0|1,0,0]=3 13159 B13R1.3395 CCCCc1c(ccc(c1Cl)Cl)N 271570a_100020621405_200011093878 [0,2,0,0,0,0|1,0,0]=3 13160 B13R1.3395 CCCCc1c(ccc(c1Cl)F)Br 271570a_100020621405_200037249116 [0,2,0,0,0,0|1,0,0]=3 13161 B13R1.3395 CCCCc1c(ccc(c1Cl)F)F 271570a_100020621405_100010167948 [0,2,0,0,0,0|1,0,0]=3 13162 B13R1.3395 CCCCc1c(ccc(c1F)Br)Cl 271570a_100020621405_100011092007 [0,2,0,0,0,0|1,0,0]=3 13163 B13R1.3395 CCCCc1c(ccc(c1F)Br)F 271570a_100020621405_100000722365 [0,2,0,0,0,0|1,1,0]=4 13164 B13R1.3395 CCCCc1c(ccc(c1F)Cl)Br 271570a_100020621405_100011084128 [0,2,0,0,0,0|1,1,0]=4 13165 B13R1.3395 CCCCc1c(ccc(c1F)Cl)F 271570a_100020621405_200010167938 [0,2,0,0,0,0|1,1,0]=4 13166 B13R1.3395 CCCCc1c(ccc(c1F)Cl)N 271570a_100020621405_100010134325 [0,2,0,0,0,0|1,1,0]=4 13167 B13R1.3395 CCCCc1c(ccc(c1F)F)F 271570a_100020621405_100009814005 [0,2,0,0,0,0|1,1,0]=4 13168 B13R1.3395 CCCCc1c(ccc(c1F)F)N 271570a_100020621405_100010232473 [0,2,0,0,0,0|1,1,0]=4 13169 B13R1.3395 CCCCc1c(ccc(c1F)N)F 271570a_100020621405_100010070858 [0,2,0,0,0,0|1,1,0]=4 13170 B13R1.3395 CCCCc1c(ccc(c1N)F)F 271570a_100020621405_100014094178 [0,2,0,0,0,0|1,1,0]=4 13171 B13R1.3395 CCCCc1c(ccc(c1N)N)F 271570a_100020621405_100010128261 [0,2,0,0,0,0|1,1,0]=4 13172 B13R1.3395 CCCCc1c(ccc(c1O)F)C 271570a_100020621405_200010223207 [0,2,0,0,0,0|2,0,0]=4 13173 B13R1.3395 CCCCc1c(ccc(c1O)F)F 271570a_100020621405_100010170822 [0,2,0,0,0,0|1,1,0]=4 13174 B13R1.3395 CCCCc1c(cnc(c1Cl)F)Cl 271570a_100020621405_100010116697 [0,2,0,0,0,0|2,0,0]=4 13175 B13R1.3395 CCCCc1c(cnc(c1F)F)Cl 271570a_100020621405_100010233662 [0,2,0,0,0,0|2,0,0]=4 13176 B13R1.3395 CCCNc1c(ccc(c1C)Cl)Cl 34a_100009961198_100000210303 [0,2,0,0,0,0|2,0,0]=4 13177 B13R1.3395 CCCNc1c(ccc(c1Cl)C)Cl 34a_100000210993_100000210303 [0,2,0,0,0,0|2,0,0]=4 13178 B13R1.3395 CCCNc1c(ccc(c1Cl)C)F 34a_106744479701_100000210303 [0,2,0,0,0,0|2,0,0]=4 13179 B13R1.3395 CCCNc1c(ccc(c1Cl)Cl)Cl 34a_103437851083_100000210303 [0,2,0,0,0,0|2,0,0]=4 13180 B13R1.3395 CCCNc1c(ccc(c1Cl)Cl)F 34a_100000061523_100000210303 [0,2,0,0,0,0|2,0,0]=4 13181 B13R1.3395 CCCNc1c(ccc(c1Cl)F)F 34a_100000062006_100000210303 [0,2,0,0,0,0|2,0,0]=4 13182 B13R1.3395 CCCNc1c(ccc(c1Cl)O)Cl 34a_100016988457_100000210303 [0,2,0,0,0,0|2,0,0]=4 13183 B13R1.3395 CCCNc1c(ccc(c1Cl)O)Cl 7a_100016988457_100000210303 [0,2,0,0,0,0|2,0,0]=4 13184 B13R1.3395 CCCNc1c(ccc(c1F)Br)Cl 34a_100010995236_100000210303 [0,2,0,0,0,0|2,0,0]=4 13185 B13R1.3395 CCCNc1c(ccc(c1F)C)Cl 34a_100000062009_100000210303 [0,2,0,0,0,0|2,0,0]=4 13186 B13R1.3395 CCCNc1c(ccc(c1F)Cl)Cl 34a_200000061452_100000210303 [0,2,0,0,0,0|2,0,0]=4 13187 B13R1.3395 CCCNc1c(ccc(c1F)F)Cl 34a_200010381624_100000210303 [0,2,0,0,0,0|2,0,0]=4 13188 B13R1.3395 CCCOc1c(ccc(c1Cl)Br)Cl 34a_100010089855_100000210303 [0,2,0,0,0,0|2,0,0]=4 13189 B13R1.3395 CCCOc1c(ccc(c1Cl)Br)Cl 7a_100010089855_100000210303 [0,2,0,0,0,0|2,0,0]=4 13190 B13R1.3395 CCCOc1c(ccc(c1Cl)C)Cl 34a_200000087117_100000210303 [0,2,0,0,0,0|2,0,0]=4 13191 B13R1.3395 CCCOc1c(ccc(c1Cl)C)Cl 7a_200000087117_100000210303 [0,2,0,0,0,0|2,0,0]=4 13192 B13R1.3395 CCCOc1c(ccc(c1Cl)C)F 34a_100000035349_100000210303 [0,2,0,0,0,0|2,0,0]=4 13193 B13R1.3395 CCCOc1c(ccc(c1Cl)C)F 7a_100000035349_100000210303 [0,2,0,0,0,0|2,0,0]=4 13194 B13R1.3395 CCCOc1c(ccc(c1Cl)Cl)Cl 34a_100000042553_100000210303 [0,2,0,0,0,0|2,0,0]=4 13195 B13R1.3395 CCCOc1c(ccc(c1Cl)Cl)Cl 7a_100000042553_100000210303 [0,2,0,0,0,0|2,0,0]=4 13196 B13R1.3395 CCCOc1c(ccc(c1Cl)Cl)F 34a_100000062035_100000210303 [0,2,0,0,0,0|2,0,0]=4 13197 B13R1.3395 CCCOc1c(ccc(c1Cl)Cl)F 7a_100000062035_100000210303 [0,2,0,0,0,0|2,0,0]=4 13198 B13R1.3395 CCCOc1c(ccc(c1Cl)F)Br 34a_100014979575_100000210303 [0,2,0,0,0,0|2,0,0]=4 13199 B13R1.3395 CCCOc1c(ccc(c1Cl)F)Br 7a_100014979575_100000210303 [0,2,0,0,0,0|2,0,0]=4 13200 B13R1.3395 CCCOc1c(ccc(c1Cl)F)F 34a_100000038336_100000210303 [0,2,0,0,0,0|2,0,0]=4 13201 B13R1.3395 CCCOc1c(ccc(c1Cl)F)F 7a_100000038336_100000210303 [0,2,0,0,0,0|2,0,0]=4 13202 B13R1.3395 CCCOc1c(ccc(c1Cl)N)C 34a_100000036876_100000210303 [0,2,0,0,0,0|2,0,0]=4 13203 B13R1.3395 CCCOc1c(ccc(c1Cl)N)C 7a_100000036876_100000210303 [0,2,0,0,0,0|2,0,0]=4 13204 B13R1.3395 CCCOc1c(ccc(c1F)Br)Cl 34a_100010240321_100000210303 [0,2,0,0,0,0|2,0,0]=4 13205 B13R1.3395 CCCOc1c(ccc(c1F)Br)Cl 7a_100010240321_100000210303 [0,2,0,0,0,0|2,0,0]=4 13206 B13R1.3395 CCCOc1c(ccc(c1F)C)Cl 34a_200000034537_100000210303 [0,2,0,0,0,0|2,0,0]=4 13207 B13R1.3395 CCCOc1c(ccc(c1F)C)Cl 7a_200000034537_100000210303 [0,2,0,0,0,0|2,0,0]=4 13208 B13R1.3395 CCCSc1c(ccc(c1Cl)Br)N 62a_100000210303_200010779962 [0,2,0,0,0,0|2,0,0]=4 13209 B13R1.3395 CCCSc1c(ccc(c1Cl)Br)N 62a_200010779962_100000210303 [0,2,0,0,0,0|2,0,0]=4 13210 B13R1.3395 CCCSc1c(ccc(c1Cl)Cl)Cl 62a_100000210303_200010170825 [0,2,0,0,0,0|2,0,0]=4 13211 B13R1.3395 CCCSc1c(ccc(c1Cl)Cl)Cl 62a_200010170825_100000210303 [0,2,0,0,0,0|2,0,0]=4 13212 B13R1.3395 CCCSc1c(ccc(c1Cl)Cl)F 62a_100000210303_200015697950 [0,2,0,0,0,0|2,0,0]=4 13213 B13R1.3395 CCCSc1c(ccc(c1Cl)Cl)F 62a_200015697950_100000210303 [0,2,0,0,0,0|2,0,0]=4 13214 B13R1.3395 CCCSc1c(ccc(c1Cl)Cl)N 62a_100000210303_200011093878 [0,2,0,0,0,0|2,0,0]=4 13215 B13R1.3395 CCCSc1c(ccc(c1Cl)Cl)N 62a_200011093878_100000210303 [0,2,0,0,0,0|2,0,0]=4 13216 B13R1.3395 CCCSc1c(ccc(c1Cl)F)Br 62a_100000210303_200037249116 [0,2,0,0,0,0|2,0,0]=4 13217 B13R1.3395 CCCSc1c(ccc(c1Cl)F)Br 62a_200037249116_100000210303 [0,2,0,0,0,0|2,0,0]=4 13218 B13R1.3395 CCCSc1c(ccc(c1Cl)F)F 62a_100000210303_100010167948 [0,2,0,0,0,0|2,0,0]=4 13219 B13R1.3395 CCCSc1c(ccc(c1Cl)F)F 62a_100010167948_100000210303 [0,2,0,0,0,0|2,0,0]=4 13220 B13R1.3395 CCCSc1c(ccc(c1F)Br)Cl 62a_100000210303_100011092007 [0,2,0,0,0,0|2,0,0]=4 13221 B13R1.3395 CCCSc1c(ccc(c1F)Br)Cl 62a_100011092007_100000210303 [0,2,0,0,0,0|2,0,0]=4 13222 B13R1.3395 CCNCc1c(ccc(c1Br)C)Cl 207a_100015525214_200010235751 [0,2,0,0,0,0|2,0,0]=4 13223 B13R1.3395 CCNCc1c(ccc(c1Br)C)Cl 270004a_100015525214_200010235751 [0,2,0,0,0,0|2,0,0]=4 13224 B13R1.3395 CCNCc1c(ccc(c1Cl)Br)Cl 207a_100015525214_200010289272 [0,2,0,0,0,0|2,0,0]=4 13225 B13R1.3395 CCNCc1c(ccc(c1Cl)Br)Cl 270004a_100015525214_200010289272 [0,2,0,0,0,0|2,0,0]=4 13226 B13R1.3395 CCNCc1c(ccc(c1Cl)Br)F 207a_100015525214_100010235756 [0,2,0,0,0,0|2,0,0]=4 13227 B13R1.3395 CCNCc1c(ccc(c1Cl)Br)F 270004a_100015525214_100010235756 [0,2,0,0,0,0|2,0,0]=4 13228 B13R1.3395 CCNCc1c(ccc(c1Cl)C)Cl 2230a_100015525214_200010220899 [0,2,0,0,0,0|2,0,0]=4 13229 B13R1.3395 CCNCc1c(ccc(c1Cl)C)F 207a_100015525214_100000033498 [0,2,0,0,0,0|2,0,0]=4 13230 B13R1.3395 CCNCc1c(ccc(c1Cl)C)F 2230a_100015525214_100009813558 [0,2,0,0,0,0|2,0,0]=4 13231 B13R1.3395 CCNCc1c(ccc(c1Cl)C)F 2230a_102235353916_100000210202 [0,2,0,0,0,0|2,0,0]=4 13232 B13R1.3395 CCNCc1c(ccc(c1Cl)C)F 270004a_100015525214_100000033498 [0,2,0,0,0,0|2,0,0]=4 13233 B13R1.3395 CCNCc1c(ccc(c1Cl)C)F 34a_102235353916_100000210202 [0,2,0,0,0,0|2,0,0]=4 13234 B13R1.3395 CCNCc1c(ccc(c1Cl)Cl)Cl 207a_100015525214_100000211905 [0,2,0,0,0,0|2,0,0]=4 13235 B13R1.3395 CCNCc1c(ccc(c1Cl)Cl)Cl 2230a_100000705891_100000210202 [0,2,0,0,0,0|2,0,0]=4 13236 B13R1.3395 CCNCc1c(ccc(c1Cl)Cl)Cl 270004a_100015525214_100000211905 [0,2,0,0,0,0|2,0,0]=4 13237 B13R1.3395 CCNCc1c(ccc(c1Cl)Cl)Cl 34a_100000705891_100000210202 [0,2,0,0,0,0|2,0,0]=4 13238 B13R1.3395 CCNCc1c(ccc(c1Cl)Cl)F 207a_100015525214_100000062033 [0,2,0,0,0,0|2,0,0]=4 13239 B13R1.3395 CCNCc1c(ccc(c1Cl)Cl)F 2230a_100000062004_100000210202 [0,2,0,0,0,0|2,0,0]=4 13240 B13R1.3395 CCNCc1c(ccc(c1Cl)Cl)F 270004a_100015525214_100000062033 [0,2,0,0,0,0|2,0,0]=4 13241 B13R1.3395 CCNCc1c(ccc(c1Cl)Cl)F 34a_100000062004_100000210202 [0,2,0,0,0,0|2,0,0]=4 13242 B13R1.3395 CCNCc1c(ccc(c1Cl)F)Cl 207a_100015525214_100000094348 [0,2,0,0,0,0|2,0,0]=4 13243 B13R1.3395 CCNCc1c(ccc(c1Cl)F)Cl 270004a_100015525214_100000094348 [0,2,0,0,0,0|2,0,0]=4 13244 B13R1.3395 CCNCc1c(ccc(c1Cl)F)F 207a_100015525214_100000034233 [0,2,0,0,0,0|2,0,0]=4 13245 B13R1.3395 CCNCc1c(ccc(c1Cl)F)F 2230a_100000035581_100000210202 [0,2,0,0,0,0|2,0,0]=4 13246 B13R1.3395 CCNCc1c(ccc(c1Cl)F)F 2230a_100015525214_100009813715 [0,2,0,0,0,0|2,0,0]=4 13247 B13R1.3395 CCNCc1c(ccc(c1Cl)F)F 270004a_100015525214_100000034233 [0,2,0,0,0,0|2,0,0]=4 13248 B13R1.3395 CCNCc1c(ccc(c1Cl)F)F 34a_100000035581_100000210202 [0,2,0,0,0,0|2,0,0]=4 13249 B13R1.3395 CCNCc1c(ccc(c1F)Br)Cl 207a_100015525214_100010236160 [0,2,0,0,0,0|2,0,0]=4 13250 B13R1.3395 CCNCc1c(ccc(c1F)Br)Cl 2230a_100015525214_100010993448 [0,2,0,0,0,0|2,0,0]=4 13251 B13R1.3395 CCNCc1c(ccc(c1F)Br)Cl 270004a_100015525214_100010236160 [0,2,0,0,0,0|2,0,0]=4 13252 B13R1.3395 CCNCc1c(ccc(c1F)C)Cl 207a_100015525214_100000039034 [0,2,0,0,0,0|2,0,0]=4 13253 B13R1.3395 CCNCc1c(ccc(c1F)C)Cl 2230a_100000039309_100000210202 [0,2,0,0,0,0|2,0,0]=4 13254 B13R1.3395 CCNCc1c(ccc(c1F)C)Cl 2230a_100015525214_100009813557 [0,2,0,0,0,0|2,0,0]=4 13255 B13R1.3395 CCNCc1c(ccc(c1F)C)Cl 270004a_100015525214_100000039034 [0,2,0,0,0,0|2,0,0]=4 13256 B13R1.3395 CCNCc1c(ccc(c1F)C)Cl 34a_100000039309_100000210202 [0,2,0,0,0,0|2,0,0]=4 13257 B13R1.3395 CCNCc1c(ccc(c1F)Cl)Cl 207a_100015525214_100000061685 [0,2,0,0,0,0|2,0,0]=4 13258 B13R1.3395 CCNCc1c(ccc(c1F)Cl)Cl 2230a_100000061714_100000210202 [0,2,0,0,0,0|2,0,0]=4 13259 B13R1.3395 CCNCc1c(ccc(c1F)Cl)Cl 2230a_100015525214_100009814555 [0,2,0,0,0,0|2,0,0]=4 13260 B13R1.3395 CCNCc1c(ccc(c1F)Cl)Cl 270004a_100015525214_100000061685 [0,2,0,0,0,0|2,0,0]=4 13261 B13R1.3395 CCNCc1c(ccc(c1F)Cl)Cl 34a_100000061714_100000210202 [0,2,0,0,0,0|2,0,0]=4 13262 B13R1.3395 CCNCc1c(ccc(c1F)F)Cl 207a_100015525214_100011998157 [0,2,0,0,0,0|2,0,0]=4 13263 B13R1.3395 CCNCc1c(ccc(c1F)F)Cl 2230a_100015525214_100010381632 [0,2,0,0,0,0|2,0,0]=4 13264 B13R1.3395 CCNCc1c(ccc(c1F)F)Cl 270004a_100015525214_100011998157 [0,2,0,0,0,0|2,0,0]=4 13265 B13R1.3395 CCNCc1c(ccc(c1F)I)Cl 207a_100015525214_100010782290 [0,2,0,0,0,0|2,0,0]=4 13266 B13R1.3395 CCNCc1c(ccc(c1F)I)Cl 270004a_100015525214_100010782290 [0,2,0,0,0,0|2,0,0]=4 13267 B13R1.3395 CCOCc1c(ccc(c1Cl)Br)F 34a_100010289842_100000210202 [0,2,0,0,0,0|2,0,0]=4 13268 B13R1.3395 CCOCc1c(ccc(c1Cl)Br)F 7a_100010289842_100000210202 [0,2,0,0,0,0|2,0,0]=4 13269 B13R1.3395 CCOCc1c(ccc(c1Cl)C)Cl 34a_100009871603_100000210202 [0,2,0,0,0,0|2,0,0]=4 13270 B13R1.3395 CCOCc1c(ccc(c1Cl)C)Cl 34a_100121572206_200010220899 [0,2,0,0,0,0|2,0,0]=4 13271 B13R1.3395 CCOCc1c(ccc(c1Cl)C)Cl 7a_100009871603_100000210202 [0,2,0,0,0,0|2,0,0]=4 13272 B13R1.3395 CCOCc1c(ccc(c1Cl)C)F 34a_100000035582_100000210202 [0,2,0,0,0,0|2,0,0]=4 13273 B13R1.3395 CCOCc1c(ccc(c1Cl)C)F 34a_100121572206_100009813558 [0,2,0,0,0,0|2,0,0]=4 13274 B13R1.3395 CCOCc1c(ccc(c1Cl)C)F 7a_100000035582_100000210202 [0,2,0,0,0,0|2,0,0]=4 13275 B13R1.3395 CCOCc1c(ccc(c1Cl)F)F 34a_100000035659_100000210202 [0,2,0,0,0,0|2,0,0]=4 13276 B13R1.3395 CCOCc1c(ccc(c1Cl)F)F 34a_100121572206_100009813715 [0,2,0,0,0,0|2,0,0]=4 13277 B13R1.3395 CCOCc1c(ccc(c1Cl)F)F 7a_100000035659_100000210202 [0,2,0,0,0,0|2,0,0]=4 13278 B13R1.3395 CCOCc1c(ccc(c1F)Br)Cl 34a_100121572206_100010993448 [0,2,0,0,0,0|2,0,0]=4 13279 B13R1.3395 CCOCc1c(ccc(c1F)C)Cl 34a_100000038635_100000210202 [0,2,0,0,0,0|2,0,0]=4 13280 B13R1.3395 CCOCc1c(ccc(c1F)C)Cl 34a_100121572206_100009813557 [0,2,0,0,0,0|2,0,0]=4 13281 B13R1.3395 CCOCc1c(ccc(c1F)C)Cl 7a_100000038635_100000210202 [0,2,0,0,0,0|2,0,0]=4 13282 B13R1.3395 CCOCc1c(ccc(c1F)Cl)Cl 34a_100121572206_100009814555 [0,2,0,0,0,0|2,0,0]=4 13283 B13R1.3395 CCOCc1c(ccc(c1F)F)Cl 34a_100011998155_100000210202 [0,2,0,0,0,0|2,0,0]=4 13284 B13R1.3395 CCOCc1c(ccc(c1F)F)Cl 34a_100121572206_100010381632 [0,2,0,0,0,0|2,0,0]=4 13285 B13R1.3395 CCOCc1c(ccc(c1F)F)Cl 7a_100011998155_100000210202 [0,2,0,0,0,0|2,0,0]=4 13286 B13R1.3395 CCSCc1c(ccc(c1Cl)C)Cl 62a_100000210202_200010220899 [0,2,0,0,0,0|2,0,0]=4 13287 B13R1.3395 CCSCc1c(ccc(c1Cl)C)Cl 62a_200010220899_100000210202 [0,2,0,0,0,0|2,0,0]=4 13288 B13R1.3395 CCSCc1c(ccc(c1Cl)C)F 62a_100000210202_100009813558 [0,2,0,0,0,0|2,0,0]=4 13289 B13R1.3395 CCSCc1c(ccc(c1Cl)C)F 62a_100009813558_100000210202 [0,2,0,0,0,0|2,0,0]=4 13290 B13R1.3395 CCSCc1c(ccc(c1Cl)F)F 62a_100000210202_100009813715 [0,2,0,0,0,0|2,0,0]=4 13291 B13R1.3395 CCSCc1c(ccc(c1Cl)F)F 62a_100009813715_100000210202 [0,2,0,0,0,0|2,0,0]=4 13292 B13R1.3395 CCSCc1c(ccc(c1F)Br)Cl 62a_100000210202_100010993448 [0,2,0,0,0,0|2,0,0]=4 13293 B13R1.3395 CCSCc1c(ccc(c1F)Br)Cl 62a_100010993448_100000210202 [0,2,0,0,0,0|2,0,0]=4 13294 B13R1.3395 CCSCc1c(ccc(c1F)C)Cl 62a_100000210202_100009813557 [0,2,0,0,0,0|2,0,0]=4 13295 B13R1.3395 CCSCc1c(ccc(c1F)C)Cl 62a_100009813557_100000210202 [0,2,0,0,0,0|2,0,0]=4 13296 B13R1.3395 CCSCc1c(ccc(c1F)Cl)Cl 62a_100000210202_100009814555 [0,2,0,0,0,0|2,0,0]=4 13297 B13R1.3395 CCSCc1c(ccc(c1F)Cl)Cl 62a_100009814555_100000210202 [0,2,0,0,0,0|2,0,0]=4 13298 B13R1.3395 CCSCc1c(ccc(c1F)F)Cl 62a_100000210202_100010381632 [0,2,0,0,0,0|2,0,0]=4 13299 B13R1.3395 CCSCc1c(ccc(c1F)F)Cl 62a_100010381632_100000210202 [0,2,0,0,0,0|2,0,0]=4 13300 B13R1.3395 COCSc1c(ccc(c1Cl)Br)N 62a_100000766300_200010779962 [0,2,0,0,0,0|2,0,0]=4 13301 B13R1.3395 COCSc1c(ccc(c1Cl)Br)N 62a_200010779962_100000766300 [0,2,0,0,0,0|2,0,0]=4 13302 B13R1.3395 COCSc1c(ccc(c1Cl)Cl)Cl 62a_100000766300_200010170825 [0,2,0,0,0,0|2,0,0]=4 13303 B13R1.3395 COCSc1c(ccc(c1Cl)Cl)Cl 62a_200010170825_100000766300 [0,2,0,0,0,0|2,0,0]=4 13304 B13R1.3395 COCSc1c(ccc(c1Cl)Cl)F 62a_100000766300_200015697950 [0,2,0,0,0,0|2,0,0]=4 13305 B13R1.3395 COCSc1c(ccc(c1Cl)Cl)F 62a_200015697950_100000766300 [0,2,0,0,0,0|2,0,0]=4 13306 B13R1.3395 COCSc1c(ccc(c1Cl)Cl)N 62a_100000766300_200011093878 [0,2,0,0,0,0|2,0,0]=4 13307 B13R1.3395 COCSc1c(ccc(c1Cl)Cl)N 62a_200011093878_100000766300 [0,2,0,0,0,0|2,0,0]=4 13308 B13R1.3395 COCSc1c(ccc(c1Cl)F)Br 62a_100000766300_200037249116 [0,2,0,0,0,0|2,0,0]=4 13309 B13R1.3395 COCSc1c(ccc(c1Cl)F)Br 62a_200037249116_100000766300 [0,2,0,0,0,0|2,0,0]=4 13310 B13R1.3395 COCSc1c(ccc(c1Cl)F)F 62a_100000766300_100010167948 [0,2,0,0,0,0|2,0,0]=4 13311 B13R1.3395 COCSc1c(ccc(c1Cl)F)F 62a_100010167948_100000766300 [0,2,0,0,0,0|2,0,0]=4 13312 B13R1.3395 COCSc1c(ccc(c1F)Br)Cl 62a_100000766300_100011092007 [0,2,0,0,0,0|2,0,0]=4 13313 B13R1.3395 COCSc1c(ccc(c1F)Br)Cl 62a_100011092007_100000766300 [0,2,0,0,0,0|2,0,0]=4 13314 B13R1.3395 CSCNc1c(ccc(c1C)Cl)Cl 34a_100009961198_100011218213 [0,2,0,0,0,0|2,0,0]=4 13315 B13R1.3395 CSCNc1c(ccc(c1Cl)C)Cl 34a_100000210993_100011218213 [0,2,0,0,0,0|2,0,0]=4 13316 B13R1.3395 CSCNc1c(ccc(c1Cl)C)F 34a_106744479701_100011218213 [0,2,0,0,0,0|2,0,0]=4 13317 B13R1.3395 CSCNc1c(ccc(c1Cl)Cl)Cl 34a_103437851083_100011218213 [0,2,0,0,0,0|2,0,0]=4 13318 B13R1.3395 CSCNc1c(ccc(c1Cl)Cl)F 34a_100000061523_100011218213 [0,2,0,0,0,0|2,0,0]=4 13319 B13R1.3395 CSCNc1c(ccc(c1Cl)F)F 34a_100000062006_100011218213 [0,2,0,0,0,0|2,0,0]=4 13320 B13R1.3395 CSCNc1c(ccc(c1Cl)O)Cl 34a_100016988457_100011218213 [0,2,0,0,0,0|2,0,0]=4 13321 B13R1.3395 CSCNc1c(ccc(c1F)Br)Cl 34a_100010995236_100011218213 [0,2,0,0,0,0|2,0,0]=4 13322 B13R1.3395 CSCNc1c(ccc(c1F)C)Cl 34a_100000062009_100011218213 [0,2,0,0,0,0|2,0,0]=4 13323 B13R1.3395 CSCNc1c(ccc(c1F)Cl)Cl 34a_200000061452_100011218213 [0,2,0,0,0,0|2,0,0]=4 13324 B13R1.3395 CSCNc1c(ccc(c1F)F)Cl 34a_200010381624_100011218213 [0,2,0,0,0,0|2,0,0]=4 13325 B13R1.3395 CSCOc1c(ccc(c1Cl)Br)Cl 34a_100010089855_100011218213 [0,2,0,0,0,0|2,0,0]=4 13326 B13R1.3395 CSCOc1c(ccc(c1Cl)C)Cl 34a_200000087117_100011218213 [0,2,0,0,0,0|2,0,0]=4 13327 B13R1.3395 CSCOc1c(ccc(c1Cl)C)F 34a_100000035349_100011218213 [0,2,0,0,0,0|2,0,0]=4 13328 B13R1.3395 CSCOc1c(ccc(c1Cl)Cl)Cl 34a_100000042553_100011218213 [0,2,0,0,0,0|2,0,0]=4 13329 B13R1.3395 CSCOc1c(ccc(c1Cl)Cl)F 34a_100000062035_100011218213 [0,2,0,0,0,0|2,0,0]=4 13330 B13R1.3395 CSCOc1c(ccc(c1Cl)F)Br 34a_100014979575_100011218213 [0,2,0,0,0,0|2,0,0]=4 13331 B13R1.3395 CSCOc1c(ccc(c1Cl)F)F 34a_100000038336_100011218213 [0,2,0,0,0,0|2,0,0]=4 13332 B13R1.3395 CSCOc1c(ccc(c1Cl)N)C 34a_100000036876_100011218213 [0,2,0,0,0,0|2,0,0]=4 13333 B13R1.3395 CSCOc1c(ccc(c1F)Br)Cl 34a_100010240321_100011218213 [0,2,0,0,0,0|2,0,0]=4 13334 B13R1.3395 CSCOc1c(ccc(c1F)C)Cl 34a_200000034537_100011218213 [0,2,0,0,0,0|2,0,0]=4 13335 B13R1.3395 CSCSc1c(ccc(c1Cl)Br)N 62a_100011218213_200010779962 [0,2,0,0,0,0|2,0,0]=4 13336 B13R1.3395 CSCSc1c(ccc(c1Cl)Br)N 62a_200010779962_100011218213 [0,2,0,0,0,0|2,0,0]=4 13337 B13R1.3395 CSCSc1c(ccc(c1Cl)Cl)Cl 62a_100011218213_200010170825 [0,2,0,0,0,0|2,0,0]=4 13338 B13R1.3395 CSCSc1c(ccc(c1Cl)Cl)Cl 62a_200010170825_100011218213 [0,2,0,0,0,0|2,0,0]=4 13339 B13R1.3395 CSCSc1c(ccc(c1Cl)Cl)F 62a_100011218213_200015697950 [0,2,0,0,0,0|2,0,0]=4 13340 B13R1.3395 CSCSc1c(ccc(c1Cl)Cl)F 62a_200015697950_100011218213 [0,2,0,0,0,0|2,0,0]=4 13341 B13R1.3395 CSCSc1c(ccc(c1Cl)Cl)N 62a_100011218213_200011093878 [0,2,0,0,0,0|2,0,0]=4 13342 B13R1.3395 CSCSc1c(ccc(c1Cl)Cl)N 62a_200011093878_100011218213 [0,2,0,0,0,0|2,0,0]=4 13343 B13R1.3395 CSCSc1c(ccc(c1Cl)F)Br 62a_100011218213_200037249116 [0,2,0,0,0,0|2,0,0]=4 13344 B13R1.3395 CSCSc1c(ccc(c1Cl)F)Br 62a_200037249116_100011218213 [0,2,0,0,0,0|2,0,0]=4 13345 B13R1.3395 CSCSc1c(ccc(c1Cl)F)F 62a_100010167948_100011218213 [0,2,0,0,0,0|2,0,0]=4 13346 B13R1.3395 CSCSc1c(ccc(c1Cl)F)F 62a_100011218213_100010167948 [0,2,0,0,0,0|2,0,0]=4 13347 B13R1.3395 CSCSc1c(ccc(c1F)Br)Cl 62a_100011092007_100011218213 [0,2,0,0,0,0|2,0,0]=4 13348 B13R1.3395 CSCSc1c(ccc(c1F)Br)Cl 62a_100011218213_100011092007 [0,2,0,0,0,0|2,0,0]=4 13349 B13R1.3516 CCCCc1cccc(c1C#N)Br 271570a_100020621405_100010071968 [0,2,0,0,0,0|2,0,0]=4 13350 B13R1.3516 CCCCc1cccc(c1C#N)C 271570a_100020621405_100009819585 [0,2,0,0,0,0|2,0,0]=4 13351 B13R1.3516 CCCCc1cccc(c1C#N)Cl 271570a_100020621405_200000049503 [0,2,0,0,0,0|2,0,0]=4 13352 B13R1.3516 CCCCc1cccc(c1C#N)F 271570a_100020621405_100000699744 [0,2,0,0,0,0|2,0,0]=4 13353 B13R1.3516 CCCCc1cccc(c1C#N)N 271570a_100020621405_100011935054 [0,2,0,0,0,0|2,0,0]=4 13354 B13R1.3516 CCCCc1cccc(c1C#N)O 271570a_100020621405_100012180507 [0,2,0,0,0,0|2,0,0]=4 13355 B13R1.3516 CCCCc1cccc(c1C=O)C 271570a_100020621405_100000041122 [0,2,0,0,0,0|2,0,0]=4 13356 B13R1.3516 CCCCc1cccc(c1C=O)Cl 271570a_100020621405_100010147682 [0,2,0,0,0,0|2,0,0]=4 13357 B13R1.3516 CCCCc1cccc(c1C=O)F 271570a_100020621405_100000210083 [0,2,0,0,0,0|2,0,0]=4 13358 B13R1.3516 CCCCc1cccc(c1C=O)N 271570a_100020621405_100010232536 [0,2,0,0,0,0|2,0,0]=4 13359 B13R1.3516 CCCCc1cccc(c1C=O)O 271570a_100020621405_100009814793 [0,2,0,0,0,0|2,0,0]=4 13360 B13R1.3516 CCCCc1cccc(c1CN)F 271570a_100020621405_100012349121 [0,2,0,0,0,0|2,0,0]=4 13361 B13R1.3516 CCCCc1cccc(c1CO)F 271570a_100020621405_100012355691 [0,2,0,0,0,0|2,0,0]=4 13362 B13R1.3516 CCCCc1cccc(c1CO)N 271570a_100020621405_100000747656 [0,2,0,0,0,0|2,0,0]=4 13363 B13R1.3516 CCCCc1cccc(c1NC)N 271570a_100020621405_100010510394 [0,2,0,0,0,0|2,0,0]=4 13364 B13R1.3516 CCCCc1cccc(c1NN)F 271570a_100020621405_100016994982 [0,2,0,0,0,0|2,0,0]=4 13365 B13R1.3516 CCCCc1cccc(c1OC)Br 271570a_100020621405_100010146560 [0,2,0,0,0,0|2,0,0]=4 13366 B13R1.3516 CCCCc1cccc(c1OC)C 271570a_100020621405_100010141385 [0,2,0,0,0,0|2,0,0]=4 13367 B13R1.3516 CCCCc1cccc(c1OC)Cl 271570a_100020621405_100010147678 [0,2,0,0,0,0|2,0,0]=4 13368 B13R1.3516 CCCCc1cccc(c1OC)F 271570a_100020621405_100009816759 [0,2,0,0,0,0|2,0,0]=4 13369 B13R1.3516 CCCCc1cccc(c1OC)N 271570a_100020621405_100011935253 [0,2,0,0,0,0|2,0,0]=4 13370 B13R1.3516 CCCCc1cccc(c1OC)O 271570a_100020621405_100010234590 [0,2,0,0,0,0|2,0,0]=4 13371 B13R1.3516 CCCCc1cccc(c1SC)F 271570a_100020621405_200010709249 [0,2,0,0,0,0|2,0,0]=4 13372 B13R1.3518 CCCCc1ccc(c(c1C)C)Br 271570a_100020621405_200010185626 [0,2,0,0,0,0|2,0,0]=4 13373 B13R1.3518 CCCCc1ccc(c(c1C)C)F 271570a_100020621405_100009816033 [0,2,0,0,0,0|2,0,0]=4 13374 B13R1.3518 CCCCc1ccc(c(c1C)C)N 271570a_100020621405_100009816967 [0,2,0,0,0,0|2,0,0]=4 13375 B13R1.3518 CCCCc1ccc(c(c1C)C)O 271570a_100020621405_100012353674 [0,2,0,0,0,0|2,0,0]=4 13376 B13R1.3518 CCCCc1ccc(c(c1C)Cl)Br 271570a_100020621405_200010212245 [0,2,0,0,0,0|2,0,0]=4 13377 B13R1.3518 CCCCc1ccc(c(c1C)F)Br 271570a_100020621405_100010208201 [0,2,0,0,0,0|2,0,0]=4 13378 B13R1.3518 CCCCc1ccc(c(c1C)F)F 271570a_100020621405_100009815991 [0,2,0,0,0,0|2,0,0]=4 13379 B13R1.3518 CCCCc1ccc(c(c1C)F)N 271570a_100020621405_100000722916 [0,2,0,0,0,0|2,0,0]=4 13380 B13R1.3518 CCCCc1ccc(c(c1C)N)C 271570a_100020621405_200010074581 [0,2,0,0,0,0|2,0,0]=4 13381 B13R1.3518 CCCCc1ccc(c(c1C)N)F 271570a_100020621405_100010588651 [0,2,0,0,0,0|2,0,0]=4 13382 B13R1.3518 CCCCc1ccc(c(c1C)N)N 271570a_100020621405_100010009725 [0,2,0,0,0,0|2,0,0]=4 13383 B13R1.3518 CCCCc1ccc(c(c1C)N)O 271570a_100020621405_100013039247 [0,2,0,0,0,0|2,0,0]=4 13384 B13R1.3518 CCCCc1ccc(c(c1Cl)C)Br 271570a_100020621405_100055076181 [0,2,0,0,0,0|1,0,0]=3 13385 B13R1.3518 CCCCc1ccc(c(c1Cl)C)Cl 271570a_100020621405_100010730154 [0,2,0,0,0,0|1,0,0]=3 13386 B13R1.3518 CCCCc1ccc(c(c1Cl)Cl)Br 271570a_100020621405_200012356690 [0,2,0,0,0,0|1,0,0]=3 13387 B13R1.3518 CCCCc1ccc(c(c1F)Br)F 271570a_100020621405_100010167943 [0,2,0,0,0,0|1,1,0]=4 13388 B13R1.3518 CCCCc1ccc(c(c1F)Br)N 271570a_100020621405_100015781493 [0,2,0,0,0,0|1,1,0]=4 13389 B13R1.3518 CCCCc1ccc(c(c1F)C)C 271570a_100020621405_200015555822 [0,2,0,0,0,0|1,1,0]=4 13390 B13R1.3518 CCCCc1ccc(c(c1F)C)F 271570a_100020621405_100009815987 [0,2,0,0,0,0|1,1,0]=4 13391 B13R1.3518 CCCCc1ccc(c(c1F)C)N 271570a_100020621405_100010208198 [0,2,0,0,0,0|1,1,0]=4 13392 B13R1.3518 CCCCc1ccc(c(c1F)C)O 271570a_100020621405_100010390934 [0,2,0,0,0,0|1,1,0]=4 13393 B13R1.3518 CCCCc1ccc(c(c1F)Cl)Br 271570a_100020621405_100010212236 [0,2,0,0,0,0|1,1,0]=4 13394 B13R1.3518 CCCCc1ccc(c(c1F)Cl)F 271570a_100020621405_200000038702 [0,2,0,0,0,0|1,1,0]=4 13395 B13R1.3518 CCCCc1ccc(c(c1F)F)Br 271570a_100020621405_100010212264 [0,2,0,0,0,0|1,1,0]=4 13396 B13R1.3518 CCCCc1ccc(c(c1F)F)C 271570a_100020621405_100012766498 [0,2,0,0,0,0|1,1,0]=4 13397 B13R1.3518 CCCCc1ccc(c(c1F)F)F 271570a_100020621405_100000750562 [0,2,0,0,0,0|1,1,0]=4 13398 B13R1.3518 CCCCc1ccc(c(c1F)F)N 271570a_100020621405_100010200256 [0,2,0,0,0,0|1,1,0]=4 13399 B13R1.3518 CCCCc1ccc(c(c1F)F)O 271570a_100020621405_100011830415 [0,2,0,0,0,0|1,1,0]=4 13400 B13R1.3518 CCCCc1ccc(c(c1F)N)F 271570a_100020621405_100025793129 [0,2,0,0,0,0|1,1,0]=4 13401 B13R1.3518 CCCCc1ccc(c(c1F)N)N 271570a_100020621405_100009814308 [0,2,0,0,0,0|1,1,0]=4 13402 B13R1.3518 CCCCc1ccc(c(c1F)O)Br 271570a_100020621405_200010782288 [0,2,0,0,0,0|1,1,0]=4 13403 B13R1.3518 CCCCc1ccc(c(c1F)O)F 271570a_100020621405_100010167067 [0,2,0,0,0,0|1,1,0]=4 13404 B13R1.3518 CCCCc1ccc(c(c1N)C)F 271570a_100020621405_100011009917 [0,2,0,0,0,0|2,0,0]=4 13405 B13R1.3518 CCCCc1ccc(c(c1N)F)F 271570a_100020621405_100010008850 [0,2,0,0,0,0|2,0,0]=4 13406 B13R1.3518 CCCCc1ccc(c(c1N)N)F 271570a_100020621405_100011102919 [0,2,0,0,0,0|2,0,0]=4 13407 B13R1.3518 CCCCc1ccc(c(c1N)O)Br 271570a_100020621405_100020748643 [0,2,0,0,0,0|2,0,0]=4 13408 B13R1.3518 CCCCc1ccc(c(c1O)C)F 271570a_100020621405_200010391124 [0,2,0,0,0,0|2,0,0]=4 13409 B13R1.3518 CCCCc1ccc(c(c1O)F)C 271570a_100020621405_100000722096 [0,2,0,0,0,0|2,0,0]=4 13410 B13R1.3518 CCCCc1ccc(c(c1O)F)F 271570a_100020621405_100010243909 [0,2,0,0,0,0|2,0,0]=4 13411 B13R1.3518 CCCNc1ccc(c(c1Cl)C)Cl 34a_100011935240_100000210303 [0,2,0,0,0,0|2,0,0]=4 13412 B13R1.3518 CCCNc1ccc(c(c1Cl)C)Cl 7a_100011935240_100000210303 [0,2,0,0,0,0|2,0,0]=4 13413 B13R1.3518 CCCNc1ccc(c(c1Cl)C)F 2230a_100009863382_100000210303 [0,2,0,0,0,0|2,0,0]=4 13414 B13R1.3518 CCCNc1ccc(c(c1Cl)C)F 34a_100009863382_100000210303 [0,2,0,0,0,0|2,0,0]=4 13415 B13R1.3518 CCCNc1ccc(c(c1Cl)C)F 7a_100009863382_100000210303 [0,2,0,0,0,0|2,0,0]=4 13416 B13R1.3518 CCCNc1ccc(c(c1Cl)Cl)Br 34a_100000701039_100000210303 [0,2,0,0,0,0|2,0,0]=4 13417 B13R1.3518 CCCNc1ccc(c(c1Cl)Cl)Cl 34a_200000033989_100000210303 [0,2,0,0,0,0|2,0,0]=4 13418 B13R1.3518 CCCNc1ccc(c(c1Cl)Cl)F 2230a_100000068956_100000210303 [0,2,0,0,0,0|2,0,0]=4 13419 B13R1.3518 CCCNc1ccc(c(c1Cl)Cl)F 34a_100000068956_100000210303 [0,2,0,0,0,0|2,0,0]=4 13420 B13R1.3518 CCCNc1ccc(c(c1Cl)Cl)F 7a_100000068956_100000210303 [0,2,0,0,0,0|2,0,0]=4 13421 B13R1.3518 CCCNc1ccc(c(c1Cl)Cl)O 34a_100012017499_100000210303 [0,2,0,0,0,0|2,0,0]=4 13422 B13R1.3518 CCCNc1ccc(c(c1Cl)Cl)O 7a_100012017499_100000210303 [0,2,0,0,0,0|2,0,0]=4 13423 B13R1.3518 CCCNc1ccc(c(c1Cl)F)Br 2230a_100010109752_100000210303 [0,2,0,0,0,0|2,0,0]=4 13424 B13R1.3518 CCCNc1ccc(c(c1Cl)F)Br 34a_100010109752_100000210303 [0,2,0,0,0,0|2,0,0]=4 13425 B13R1.3518 CCCNc1ccc(c(c1Cl)F)Cl 2230a_100000069711_100000210303 [0,2,0,0,0,0|2,0,0]=4 13426 B13R1.3518 CCCNc1ccc(c(c1Cl)F)Cl 34a_100000069711_100000210303 [0,2,0,0,0,0|2,0,0]=4 13427 B13R1.3518 CCCNc1ccc(c(c1Cl)F)Cl 7a_100000069711_100000210303 [0,2,0,0,0,0|2,0,0]=4 13428 B13R1.3518 CCCNc1ccc(c(c1Cl)F)F 2230a_100000101296_100000210303 [0,2,0,0,0,0|2,0,0]=4 13429 B13R1.3518 CCCNc1ccc(c(c1Cl)F)F 34a_100000101296_100000210303 [0,2,0,0,0,0|2,0,0]=4 13430 B13R1.3518 CCCNc1ccc(c(c1Cl)F)F 7a_100000101296_100000210303 [0,2,0,0,0,0|2,0,0]=4 13431 B13R1.3518 CCCNc1ccc(c(c1Cl)O)C 34a_100000036876_100000210303 [0,2,0,0,0,0|2,0,0]=4 13432 B13R1.3518 CCCNc1ccc(c(c1Cl)O)C 7a_100000036876_100000210303 [0,2,0,0,0,0|2,0,0]=4 13433 B13R1.3518 CCCOc1ccc(c(c1Cl)C)Br 34a_100021574527_100000210303 [0,2,0,0,0,0|2,0,0]=4 13434 B13R1.3518 CCCOc1ccc(c(c1Cl)C)Br 7a_100021574527_100000210303 [0,2,0,0,0,0|2,0,0]=4 13435 B13R1.3518 CCCOc1ccc(c(c1Cl)Cl)Br 34a_100011988769_100000210303 [0,2,0,0,0,0|2,0,0]=4 13436 B13R1.3518 CCCOc1ccc(c(c1Cl)Cl)Br 7a_100011988769_100000210303 [0,2,0,0,0,0|2,0,0]=4 13437 B13R1.3518 CCCOc1ccc(c(c1Cl)Cl)Cl 34a_200011215298_100000210303 [0,2,0,0,0,0|2,0,0]=4 13438 B13R1.3518 CCCOc1ccc(c(c1Cl)Cl)Cl 7a_200011215298_100000210303 [0,2,0,0,0,0|2,0,0]=4 13439 B13R1.3518 CCCOc1ccc(c(c1Cl)Cl)N 34a_100012017499_100000210303 [0,2,0,0,0,0|2,0,0]=4 13440 B13R1.3518 CCCOc1ccc(c(c1Cl)Cl)N 7a_100012017499_100000210303 [0,2,0,0,0,0|2,0,0]=4 13441 B13R1.3518 CCCOc1ccc(c(c1Cl)F)Br 34a_100010245746_100000210303 [0,2,0,0,0,0|2,0,0]=4 13442 B13R1.3518 CCCOc1ccc(c(c1Cl)F)Br 7a_100010245746_100000210303 [0,2,0,0,0,0|2,0,0]=4 13443 B13R1.3518 CCCOc1ccc(c(c1Cl)F)N 34a_200000098347_100000210303 [0,2,0,0,0,0|2,0,0]=4 13444 B13R1.3518 CCCOc1ccc(c(c1Cl)F)N 7a_200000098347_100000210303 [0,2,0,0,0,0|2,0,0]=4 13445 B13R1.3518 CCCOc1ccc(c(c1Cl)N)Cl 34a_100016988457_100000210303 [0,2,0,0,0,0|2,0,0]=4 13446 B13R1.3518 CCCOc1ccc(c(c1Cl)N)Cl 7a_100016988457_100000210303 [0,2,0,0,0,0|2,0,0]=4 13447 B13R1.3518 CCCSc1ccc(c(c1Cl)C)Br 62a_100000210303_100055076181 [0,2,0,0,0,0|2,0,0]=4 13448 B13R1.3518 CCCSc1ccc(c(c1Cl)C)Br 62a_100055076181_100000210303 [0,2,0,0,0,0|2,0,0]=4 13449 B13R1.3518 CCCSc1ccc(c(c1Cl)C)Cl 62a_100000210303_100010730154 [0,2,0,0,0,0|2,0,0]=4 13450 B13R1.3518 CCCSc1ccc(c(c1Cl)C)Cl 62a_100010730154_100000210303 [0,2,0,0,0,0|2,0,0]=4 13451 B13R1.3518 CCCSc1ccc(c(c1Cl)Cl)Br 62a_100000210303_200012356690 [0,2,0,0,0,0|2,0,0]=4 13452 B13R1.3518 CCCSc1ccc(c(c1Cl)Cl)Br 62a_200012356690_100000210303 [0,2,0,0,0,0|2,0,0]=4 13453 B13R1.3518 CCNCc1ccc(c(c1Cl)C)F 207a_100015525214_100009872231 [0,2,0,0,0,0|2,0,0]=4 13454 B13R1.3518 CCNCc1ccc(c(c1Cl)C)F 270004a_100015525214_100009872231 [0,2,0,0,0,0|2,0,0]=4 13455 B13R1.3518 CCNCc1ccc(c(c1Cl)Cl)C 207a_100015525214_100009830617 [0,2,0,0,0,0|2,0,0]=4 13456 B13R1.3518 CCNCc1ccc(c(c1Cl)Cl)C 270004a_100015525214_100009830617 [0,2,0,0,0,0|2,0,0]=4 13457 B13R1.3518 CCNCc1ccc(c(c1Cl)Cl)Cl 207a_100015525214_100009994748 [0,2,0,0,0,0|2,0,0]=4 13458 B13R1.3518 CCNCc1ccc(c(c1Cl)Cl)Cl 270004a_100015525214_100009994748 [0,2,0,0,0,0|2,0,0]=4 13459 B13R1.3518 CCNCc1ccc(c(c1Cl)F)Cl 207a_100015525214_100010892301 [0,2,0,0,0,0|2,0,0]=4 13460 B13R1.3518 CCNCc1ccc(c(c1Cl)F)Cl 270004a_100015525214_100010892301 [0,2,0,0,0,0|2,0,0]=4 13461 B13R1.3518 CCNCc1ccc(c(c1Cl)F)F 207a_100015525214_100009876578 [0,2,0,0,0,0|2,0,0]=4 13462 B13R1.3518 CCOCc1ccc(c(c1Cl)F)Cl 34a_200015968052_100000210202 [0,2,0,0,0,0|2,0,0]=4 13463 B13R1.3518 CCOCc1ccc(c(c1Cl)F)Cl 7a_200015968052_100000210202 [0,2,0,0,0,0|2,0,0]=4 13464 B13R1.3518 CCOCc1ccc(c(c1Cl)F)F 34a_100015622271_100000210202 [0,2,0,0,0,0|2,0,0]=4 13465 B13R1.3518 CCOCc1ccc(c(c1Cl)F)F 7a_100015622271_100000210202 [0,2,0,0,0,0|2,0,0]=4 13466 B13R1.3518 COCCc1ccc(c(c1F)F)F 34a_100011778489_200000210301 [0,2,0,0,0,0|1,1,0]=4 13467 B13R1.3518 COCCc1ccc(c(c1F)F)F 7a_100011778489_200000210301 [0,2,0,0,0,0|1,1,0]=4 13468 B13R1.3518 COCNc1ccc(c(c1Cl)C)F 2230a_100009863382_100000766300 [0,2,0,0,0,0|2,0,0]=4 13469 B13R1.3518 COCNc1ccc(c(c1Cl)Cl)F 2230a_100000068956_100000766300 [0,2,0,0,0,0|2,0,0]=4 13470 B13R1.3518 COCNc1ccc(c(c1Cl)F)Br 2230a_100010109752_100000766300 [0,2,0,0,0,0|2,0,0]=4 13471 B13R1.3518 COCNc1ccc(c(c1Cl)F)Cl 2230a_100000069711_100000766300 [0,2,0,0,0,0|2,0,0]=4 13472 B13R1.3518 COCNc1ccc(c(c1Cl)F)F 2230a_100000101296_100000766300 [0,2,0,0,0,0|2,0,0]=4 13473 B13R1.3518 COCSc1ccc(c(c1Cl)C)Br 62a_100000766300_100055076181 [0,2,0,0,0,0|2,0,0]=4 13474 B13R1.3518 COCSc1ccc(c(c1Cl)C)Br 62a_100055076181_100000766300 [0,2,0,0,0,0|2,0,0]=4 13475 B13R1.3518 COCSc1ccc(c(c1Cl)C)Cl 62a_100000766300_100010730154 [0,2,0,0,0,0|2,0,0]=4 13476 B13R1.3518 COCSc1ccc(c(c1Cl)C)Cl 62a_100010730154_100000766300 [0,2,0,0,0,0|2,0,0]=4 13477 B13R1.3518 COCSc1ccc(c(c1Cl)Cl)Br 62a_100000766300_200012356690 [0,2,0,0,0,0|2,0,0]=4 13478 B13R1.3518 COCSc1ccc(c(c1Cl)Cl)Br 62a_200012356690_100000766300 [0,2,0,0,0,0|2,0,0]=4 13479 B13R1.3518 CSCNc1ccc(c(c1Cl)C)Cl 34a_100011935240_100011218213 [0,2,0,0,0,0|2,0,0]=4 13480 B13R1.3518 CSCNc1ccc(c(c1Cl)C)F 2230a_100009863382_100011218213 [0,2,0,0,0,0|2,0,0]=4 13481 B13R1.3518 CSCNc1ccc(c(c1Cl)C)F 34a_100009863382_100011218213 [0,2,0,0,0,0|2,0,0]=4 13482 B13R1.3518 CSCNc1ccc(c(c1Cl)Cl)Br 34a_100000701039_100011218213 [0,2,0,0,0,0|2,0,0]=4 13483 B13R1.3518 CSCNc1ccc(c(c1Cl)Cl)Cl 34a_200000033989_100011218213 [0,2,0,0,0,0|2,0,0]=4 13484 B13R1.3518 CSCNc1ccc(c(c1Cl)Cl)F 2230a_100000068956_100011218213 [0,2,0,0,0,0|2,0,0]=4 13485 B13R1.3518 CSCNc1ccc(c(c1Cl)Cl)F 34a_100000068956_100011218213 [0,2,0,0,0,0|2,0,0]=4 13486 B13R1.3518 CSCNc1ccc(c(c1Cl)Cl)O 34a_100012017499_100011218213 [0,2,0,0,0,0|2,0,0]=4 13487 B13R1.3518 CSCNc1ccc(c(c1Cl)F)Br 2230a_100010109752_100011218213 [0,2,0,0,0,0|2,0,0]=4 13488 B13R1.3518 CSCNc1ccc(c(c1Cl)F)Br 34a_100010109752_100011218213 [0,2,0,0,0,0|2,0,0]=4 13489 B13R1.3518 CSCNc1ccc(c(c1Cl)F)Cl 2230a_100000069711_100011218213 [0,2,0,0,0,0|2,0,0]=4 13490 B13R1.3518 CSCNc1ccc(c(c1Cl)F)Cl 34a_100000069711_100011218213 [0,2,0,0,0,0|2,0,0]=4 13491 B13R1.3518 CSCNc1ccc(c(c1Cl)F)F 2230a_100000101296_100011218213 [0,2,0,0,0,0|2,0,0]=4 13492 B13R1.3518 CSCNc1ccc(c(c1Cl)F)F 34a_100000101296_100011218213 [0,2,0,0,0,0|2,0,0]=4 13493 B13R1.3518 CSCNc1ccc(c(c1Cl)O)C 34a_100000036876_100011218213 [0,2,0,0,0,0|2,0,0]=4 13494 B13R1.3518 CSCOc1ccc(c(c1Cl)C)Br 34a_100021574527_100011218213 [0,2,0,0,0,0|2,0,0]=4 13495 B13R1.3518 CSCOc1ccc(c(c1Cl)Cl)Br 34a_100011988769_100011218213 [0,2,0,0,0,0|2,0,0]=4 13496 B13R1.3518 CSCOc1ccc(c(c1Cl)Cl)Cl 34a_200011215298_100011218213 [0,2,0,0,0,0|2,0,0]=4 13497 B13R1.3518 CSCOc1ccc(c(c1Cl)Cl)N 34a_100012017499_100011218213 [0,2,0,0,0,0|2,0,0]=4 13498 B13R1.3518 CSCOc1ccc(c(c1Cl)F)Br 34a_100010245746_100011218213 [0,2,0,0,0,0|2,0,0]=4 13499 B13R1.3518 CSCOc1ccc(c(c1Cl)F)N 34a_200000098347_100011218213 [0,2,0,0,0,0|2,0,0]=4 13500 B13R1.3518 CSCOc1ccc(c(c1Cl)N)Cl 34a_100016988457_100011218213 [0,2,0,0,0,0|2,0,0]=4 13501 B13R1.3518 CSCSc1ccc(c(c1Cl)C)Br 62a_100011218213_100055076181 [0,2,0,0,0,0|2,0,0]=4 13502 B13R1.3518 CSCSc1ccc(c(c1Cl)C)Br 62a_100055076181_100011218213 [0,2,0,0,0,0|2,0,0]=4 13503 B13R1.3518 CSCSc1ccc(c(c1Cl)C)Cl 62a_100010730154_100011218213 [0,2,0,0,0,0|2,0,0]=4 13504 B13R1.3518 CSCSc1ccc(c(c1Cl)C)Cl 62a_100011218213_100010730154 [0,2,0,0,0,0|2,0,0]=4 13505 B13R1.3518 CSCSc1ccc(c(c1Cl)Cl)Br 62a_100011218213_200012356690 [0,2,0,0,0,0|2,0,0]=4 13506 B13R1.3518 CSCSc1ccc(c(c1Cl)Cl)Br 62a_200012356690_100011218213 [0,2,0,0,0,0|2,0,0]=4 13507 B13R1.3518 [13CH3]OCCc1ccc(c(c1F)F)F 34a_100011778489_200025704644 [0,2,0,0,0,0|1,1,0]=4 13508 B13R1.3518 [13CH3]OCCc1ccc(c(c1F)F)F 7a_100011778489_200025704644 [0,2,0,0,0,0|1,1,0]=4 13509 B13R1.73 CCCCc1ccc(cc1C#N)Br 271570a_100020621405_100011219714 [0,2,0,0,0,0|2,0,0]=4 13510 B13R1.73 CCCCc1ccc(cc1C#N)C 271570a_100020621405_100011935190 [0,2,0,0,0,0|2,0,0]=4 13511 B13R1.73 CCCCc1ccc(cc1C#N)Cl 271570a_100020621405_200011356825 [0,2,0,0,0,0|2,0,0]=4 13512 B13R1.73 CCCCc1ccc(cc1C#N)F 271570a_100020621405_100000747550 [0,2,0,0,0,0|2,0,0]=4 13513 B13R1.73 CCCCc1ccc(cc1C#N)N 271570a_100020621405_100011934039 [0,2,0,0,0,0|2,0,0]=4 13514 B13R1.73 CCCCc1ccc(cc1C#N)O 271570a_100020621405_100009818209 [0,2,0,0,0,0|2,0,0]=4 13515 B13R1.73 CCCCc1ccc(cc1C=O)Br 271570a_100020621405_100010185651 [0,2,0,0,0,0|2,0,0]=4 13516 B13R1.73 CCCCc1ccc(cc1C=O)C 271570a_100020621405_100011551863 [0,2,0,0,0,0|2,0,0]=4 13517 B13R1.73 CCCCc1ccc(cc1C=O)Cl 271570a_100020621405_100010254386 [0,2,0,0,0,0|2,0,0]=4 13518 B13R1.73 CCCCc1ccc(cc1C=O)F 271570a_100020621405_100011218309 [0,2,0,0,0,0|2,0,0]=4 13519 B13R1.73 CCCCc1ccc(cc1C=O)O 271570a_100020621405_100000690577 [0,2,0,0,0,0|2,0,0]=4 13520 B13R1.73 CCCCc1ccc(cc1CC)Br 271570a_100020621405_100011216195 [0,2,0,0,0,0|2,0,0]=4 13521 B13R1.73 CCCCc1ccc(cc1CC)N 271570a_100020621405_100010109747 [0,2,0,0,0,0|2,0,0]=4 13522 B13R1.73 CCCCc1ccc(cc1CN)F 271570a_100020621405_100000742738 [0,2,0,0,0,0|2,0,0]=4 13523 B13R1.73 CCCCc1ccc(cc1CO)Br 271570a_100020621405_100011356890 [0,2,0,0,0,0|2,0,0]=4 13524 B13R1.73 CCCCc1ccc(cc1CO)C 271570a_100020621405_100012361352 [0,2,0,0,0,0|2,0,0]=4 13525 B13R1.73 CCCCc1ccc(cc1CO)F 271570a_100020621405_100011217561 [0,2,0,0,0,0|2,0,0]=4 13526 B13R1.73 CCCCc1ccc(cc1CO)N 271570a_100020621405_100012347228 [0,2,0,0,0,0|2,0,0]=4 13527 B13R1.73 CCCCc1ccc(cc1CO)O 271570a_100020621405_100012351483 [0,2,0,0,0,0|2,0,0]=4 13528 B13R1.73 CCCCc1ccc(cc1NC)F 271570a_100020621405_100020633008 [0,2,0,0,0,0|2,0,0]=4 13529 B13R1.73 CCCCc1ccc(cc1NN)F 271570a_100020621405_100012362518 [0,2,0,0,0,0|2,0,0]=4 13530 B13R1.73 CCCCc1ccc(cc1OC)Br 271570a_100020621405_100010245111 [0,2,0,0,0,0|2,0,0]=4 13531 B13R1.73 CCCCc1ccc(cc1OC)C 271570a_100020621405_100010200004 [0,2,0,0,0,0|2,0,0]=4 13532 B13R1.73 CCCCc1ccc(cc1OC)Cl 271570a_100020621405_100000050115 [0,2,0,0,0,0|2,0,0]=4 13533 B13R1.73 CCCCc1ccc(cc1OC)F 271570a_100020621405_100000757151 [0,2,0,0,0,0|2,0,0]=4 13534 B13R1.73 CCCCc1ccc(cc1OC)N 271570a_100020621405_100000765947 [0,2,0,0,0,0|2,0,0]=4 13535 B13R1.73 CCCCc1ccc(cc1OC)O 271570a_100020621405_100011827694 [0,2,0,0,0,0|2,0,0]=4 13536 B13R1.73 CCCCc1ccc(cc1SC)C 271570a_100020621405_200010709736 [0,2,0,0,0,0|2,0,0]=4 13537 B13R1.75 CCCCc1ccc(cc1Br)C#N 271570a_100020621405_100012356348 [0,2,0,0,0,0|1,1,0]=4 13538 B13R1.75 CCCCc1ccc(cc1Br)CC 271570a_100020621405_200009997437 [0,2,0,0,0,0|1,1,0]=4 13539 B13R1.75 CCCCc1ccc(cc1Br)OC 271570a_100020621405_100012349170 [0,2,0,0,0,0|1,1,0]=4 13540 B13R1.75 CCCCc1ccc(cc1C)C#N 271570a_100020621405_100000212329 [0,2,0,0,0,0|2,0,0]=4 13541 B13R1.75 CCCCc1ccc(cc1C)C=O 271570a_100020621405_100000765772 [0,2,0,0,0,0|2,0,0]=4 13542 B13R1.75 CCCCc1ccc(cc1C)CN 271570a_100020621405_100015205234 [0,2,0,0,0,0|2,0,0]=4 13543 B13R1.75 CCCCc1ccc(cc1C)CO 271570a_100020621405_100000718852 [0,2,0,0,0,0|2,0,0]=4 13544 B13R1.75 CCCCc1ccc(cc1C)NC 271570a_100020621405_100102888905 [0,2,0,0,0,0|2,0,0]=4 13545 B13R1.75 CCCCc1ccc(cc1C)NN 271570a_100020621405_100000745493 [0,2,0,0,0,0|2,0,0]=4 13546 B13R1.75 CCCCc1ccc(cc1C)OC 271570a_100020621405_100000759875 [0,2,0,0,0,0|2,0,0]=4 13547 B13R1.75 CCCCc1ccc(cc1Cl)C#N 271570a_100020621405_100012349663 [0,2,0,0,0,0|1,0,0]=3 13548 B13R1.75 CCCCc1ccc(cc1Cl)CO 271570a_100020621405_100000718186 [0,2,0,0,0,0|1,0,0]=3 13549 B13R1.75 CCCCc1ccc(cc1F)C#N 271570a_100020621405_100011794375 [0,2,0,0,0,0|1,1,0]=4 13550 B13R1.75 CCCCc1ccc(cc1F)C=O 271570a_100020621405_100000686674 [0,2,0,0,0,0|1,1,0]=4 13551 B13R1.75 CCCCc1ccc(cc1F)CC 271570a_100020621405_200010339503 [0,2,0,0,0,0|1,1,0]=4 13552 B13R1.75 CCCCc1ccc(cc1F)CN 271570a_100020621405_100000755036 [0,2,0,0,0,0|1,1,0]=4 13553 B13R1.75 CCCCc1ccc(cc1F)CO 271570a_100020621405_100011533735 [0,2,0,0,0,0|1,1,0]=4 13554 B13R1.75 CCCCc1ccc(cc1F)NC 271570a_100020621405_100012285320 [0,2,0,0,0,0|1,1,0]=4 13555 B13R1.75 CCCCc1ccc(cc1F)NN 271570a_100020621405_100016992936 [0,2,0,0,0,0|1,1,0]=4 13556 B13R1.75 CCCCc1ccc(cc1F)OC 271570a_100020621405_100000753793 [0,2,0,0,0,0|1,1,0]=4 13557 B13R1.75 CCCCc1ccc(cc1F)SC 271570a_100020621405_100009816902 [0,2,0,0,0,0|1,1,0]=4 13558 B13R1.75 CCCCc1ccc(cc1N)C#N 271570a_100020621405_100012001879 [0,2,0,0,0,0|2,0,0]=4 13559 B13R1.75 CCCCc1ccc(cc1N)CO 271570a_100020621405_100012347568 [0,2,0,0,0,0|2,0,0]=4 13560 B13R1.75 CCCCc1ccc(cc1N)OC 271570a_100020621405_100000748021 [0,2,0,0,0,0|2,0,0]=4 13561 B13R1.75 CCCCc1ccc(cc1O)C#N 271570a_100020621405_100000724445 [0,2,0,0,0,0|2,0,0]=4 13562 B13R1.75 CCCCc1ccc(cc1O)C=O 271570a_100020621405_100000041418 [0,2,0,0,0,0|2,0,0]=4 13563 B13R1.75 CCCCc1ccc(cc1O)CO 271570a_100020621405_100000049605 [0,2,0,0,0,0|2,0,0]=4 13564 B13R1.75 CCCCc1ccc(cc1O)OC 271570a_100020621405_100000719091 [0,2,0,0,0,0|2,0,0]=4 13565 B13R1.75 CCCNc1ccc(cc1Cl)C#N 34a_100000690208_100000210303 [0,2,0,0,0,0|2,0,0]=4 13566 B13R1.75 CCCNc1ccc(cc1Cl)C#N 7a_100000690208_100000210303 [0,2,0,0,0,0|2,0,0]=4 13567 B13R1.75 CCCNc1ccc(cc1Cl)OC 34a_100000747055_100000210303 [0,2,0,0,0,0|2,0,0]=4 13568 B13R1.75 CCCOc1ccc(cc1Cl)C#N 34a_100000205955_100000210303 [0,2,0,0,0,0|2,0,0]=4 13569 B13R1.75 CCCOc1ccc(cc1Cl)C#N 7a_100000205955_100000210303 [0,2,0,0,0,0|2,0,0]=4 13570 B13R1.75 CCCOc1ccc(cc1Cl)NC 34a_100000742593_200000210301 [0,2,0,0,0,0|2,0,0]=4 13571 B13R1.75 CCCOc1ccc(cc1Cl)NC 7a_100000742593_200000210301 [0,2,0,0,0,0|2,0,0]=4 13572 B13R1.75 CCCOc1ccc(cc1Cl)N[13CH3] 34a_100000742593_200025704644 [0,2,0,0,0,0|2,0,0]=4 13573 B13R1.75 CCCOc1ccc(cc1Cl)N[13CH3] 7a_100000742593_200025704644 [0,2,0,0,0,0|2,0,0]=4 13574 B13R1.75 CCCOc1ccc(cc1Cl)OC 34a_100000038596_100000210303 [0,2,0,0,0,0|2,0,0]=4 13575 B13R1.75 CCCOc1ccc(cc1Cl)OC 7a_100000038596_100000210303 [0,2,0,0,0,0|2,0,0]=4 13576 B13R1.75 CCCSc1ccc(cc1Cl)C#N 62a_100000210303_100012349663 [0,2,0,0,0,0|2,0,0]=4 13577 B13R1.75 CCCSc1ccc(cc1Cl)CO 62a_100000210303_100000718186 [0,2,0,0,0,0|2,0,0]=4 13578 B13R1.75 CCCSc1ccc(cc1Cl)CO 62a_100000718186_100000210303 [0,2,0,0,0,0|2,0,0]=4 13579 B13R1.75 CCNCc1ccc(cc1Cl)C#N 207a_100015525214_100012001878 [0,2,0,0,0,0|2,0,0]=4 13580 B13R1.75 CCNCc1ccc(cc1Cl)C#N 2230a_100015525214_100000709902 [0,2,0,0,0,0|2,0,0]=4 13581 B13R1.75 CCNCc1ccc(cc1Cl)C#N 270004a_100015525214_100012001878 [0,2,0,0,0,0|2,0,0]=4 13582 B13R1.75 CCNCc1ccc(cc1Cl)OC 207a_100015525214_100000235372 [0,2,0,0,0,0|2,0,0]=4 13583 B13R1.75 CCNCc1ccc(cc1Cl)OC 2230a_100015525214_200011830453 [0,2,0,0,0,0|2,0,0]=4 13584 B13R1.75 CCNCc1ccc(cc1Cl)OC 270004a_100015525214_100000235372 [0,2,0,0,0,0|2,0,0]=4 13585 B13R1.75 CCNCc1ccc(cc1Cl)OC 34a_100138410423_100000210202 [0,2,0,0,0,0|2,0,0]=4 13586 B13R1.75 CCOCc1ccc(cc1Cl)C#N 34a_100121572206_100000709902 [0,2,0,0,0,0|2,0,0]=4 13587 B13R1.75 CCOCc1ccc(cc1Cl)OC 34a_100011982767_100000210202 [0,2,0,0,0,0|2,0,0]=4 13588 B13R1.75 CCOCc1ccc(cc1Cl)OC 34a_100121572206_200011830453 [0,2,0,0,0,0|2,0,0]=4 13589 B13R1.75 CCOCc1ccc(cc1Cl)OC 7a_100011982767_100000210202 [0,2,0,0,0,0|2,0,0]=4 13590 B13R1.75 CCSCc1ccc(cc1Cl)C#N 62a_100000210202_100000709902 [0,2,0,0,0,0|2,0,0]=4 13591 B13R1.75 CCSCc1ccc(cc1Cl)OC 62a_100000210202_200011830453 [0,2,0,0,0,0|2,0,0]=4 13592 B13R1.75 CCSCc1ccc(cc1Cl)OC 62a_200011830453_100000210202 [0,2,0,0,0,0|2,0,0]=4 13593 B13R1.75 COCSc1ccc(cc1Cl)C#N 62a_100000766300_100012349663 [0,2,0,0,0,0|2,0,0]=4 13594 B13R1.75 COCSc1ccc(cc1Cl)CO 62a_100000718186_100000766300 [0,2,0,0,0,0|2,0,0]=4 13595 B13R1.75 COCSc1ccc(cc1Cl)CO 62a_100000766300_100000718186 [0,2,0,0,0,0|2,0,0]=4 13596 B13R1.75 COc1ccc(c(c1)Cl)NCSC 34a_100000747055_100011218213 [0,2,0,0,0,0|2,0,0]=4 13597 B13R1.75 COc1ccc(c(c1)Cl)OCSC 34a_100000038596_100011218213 [0,2,0,0,0,0|2,0,0]=4 13598 B13R1.75 CSCNc1ccc(cc1Cl)C#N 34a_100000690208_100011218213 [0,2,0,0,0,0|2,0,0]=4 13599 B13R1.75 CSCOc1ccc(cc1Cl)C#N 34a_100000205955_100011218213 [0,2,0,0,0,0|2,0,0]=4 13600 B13R1.75 CSCSc1ccc(cc1Cl)C#N 62a_100011218213_100012349663 [0,2,0,0,0,0|2,0,0]=4 13601 B13R1.75 CSCSc1ccc(cc1Cl)CO 62a_100000718186_100011218213 [0,2,0,0,0,0|2,0,0]=4 13602 B13R1.75 CSCSc1ccc(cc1Cl)CO 62a_100011218213_100000718186 [0,2,0,0,0,0|2,0,0]=4 13603 B13R1.164 C=C(C)CNc1ccc(cc1Cl)Br 34a_100000211467_100000748629 [0,2,0,0,0,0|2,0,0]=4 13604 B13R1.164 C=C(C)CNc1ccc(cc1Cl)C 34a_100000210522_100000748629 [0,2,0,0,0,0|2,0,0]=4 13605 B13R1.164 C=C(C)CNc1ccc(cc1Cl)Cl 34a_100000185861_100000748629 [0,2,0,0,0,0|2,0,0]=4 13606 B13R1.164 C=C(C)CNc1ccc(cc1Cl)F 34a_100000212003_100000748629 [0,2,0,0,0,0|2,0,0]=4 13607 B13R1.164 C=C(C)CNc1ccc(cc1Cl)I 34a_100011218065_100000748629 [0,2,0,0,0,0|2,0,0]=4 13608 B13R1.164 C=C(C)CNc1ccc(cc1Cl)O 34a_100011215599_100000748629 [0,2,0,0,0,0|2,0,0]=4 13609 B13R1.164 C=C(C)COc1ccc(cc1Cl)Br 34a_100000186472_100000748629 [0,2,0,0,0,0|2,0,0]=4 13610 B13R1.164 C=C(C)COc1ccc(cc1Cl)Br 7a_100000186472_100000748629 [0,2,0,0,0,0|2,0,0]=4 13611 B13R1.164 C=C(C)COc1ccc(cc1Cl)C 34a_100000749699_100000748629 [0,2,0,0,0,0|2,0,0]=4 13612 B13R1.164 C=C(C)COc1ccc(cc1Cl)C 7a_100000749699_100000748629 [0,2,0,0,0,0|2,0,0]=4 13613 B13R1.164 C=C(C)COc1ccc(cc1Cl)Cl 34a_100015191787_100000748629 [0,2,0,0,0,0|2,0,0]=4 13614 B13R1.164 C=C(C)COc1ccc(cc1Cl)Cl 7a_100015191787_100000748629 [0,2,0,0,0,0|2,0,0]=4 13615 B13R1.164 C=C(C)COc1ccc(cc1Cl)F 34a_100000212004_100000748629 [0,2,0,0,0,0|2,0,0]=4 13616 B13R1.164 C=C(C)COc1ccc(cc1Cl)F 7a_100000212004_100000748629 [0,2,0,0,0,0|2,0,0]=4 13617 B13R1.164 C=C(C)COc1ccc(cc1Cl)I 34a_100012360047_100000748629 [0,2,0,0,0,0|2,0,0]=4 13618 B13R1.164 C=C(C)COc1ccc(cc1Cl)I 7a_100012360047_100000748629 [0,2,0,0,0,0|2,0,0]=4 13619 B13R1.164 C=C(C)COc1ccc(cc1Cl)N 34a_100000744943_100000748629 [0,2,0,0,0,0|2,0,0]=4 13620 B13R1.164 C=C(C)COc1ccc(cc1Cl)N 7a_100000744943_100000748629 [0,2,0,0,0,0|2,0,0]=4 13621 B13R1.164 C=C(C)CSc1ccc(cc1Cl)Br 62a_100000748629_100011216062 [0,2,0,0,0,0|2,0,0]=4 13622 B13R1.164 C=C(C)CSc1ccc(cc1Cl)Br 62a_100011216062_100000211660 [0,2,0,0,0,0|2,0,0]=4 13623 B13R1.164 C=C(C)CSc1ccc(cc1Cl)C 62a_100000748629_100011263221 [0,2,0,0,0,0|2,0,0]=4 13624 B13R1.164 C=C(C)CSc1ccc(cc1Cl)C 62a_100011263221_100000211660 [0,2,0,0,0,0|2,0,0]=4 13625 B13R1.164 C=C(C)CSc1ccc(cc1Cl)Cl 62a_100000699841_100000211660 [0,2,0,0,0,0|2,0,0]=4 13626 B13R1.164 C=C(C)CSc1ccc(cc1Cl)Cl 62a_100000748629_100000699841 [0,2,0,0,0,0|2,0,0]=4 13627 B13R1.164 C=C(C)CSc1ccc(cc1Cl)F 62a_100000733362_100000211660 [0,2,0,0,0,0|2,0,0]=4 13628 B13R1.164 C=C(C)CSc1ccc(cc1Cl)F 62a_100000748629_100000733362 [0,2,0,0,0,0|2,0,0]=4 13629 B13R1.164 C=C(C)CSc1ccc(cc1Cl)N 62a_100000748629_100000761885 [0,2,0,0,0,0|2,0,0]=4 13630 B13R1.164 C=C(C)CSc1ccc(cc1Cl)N 62a_100000761885_100000211660 [0,2,0,0,0,0|2,0,0]=4 13631 B13R1.164 C=C(C)CSc1ccc(cc1Cl)O 62a_100000047559_100000211660 [0,2,0,0,0,0|2,0,0]=4 13632 B13R1.164 C=C(C)CSc1ccc(cc1Cl)O 62a_100000748629_100000047559 [0,2,0,0,0,0|2,0,0]=4 13633 B13R1.164 CC(=O)CCc1ccc(cc1Br)Cl 1458a_100000070787_200012945151 [0,2,0,0,0,0|1,1,0]=4 13634 B13R1.164 CC(=O)CCc1ccc(cc1Br)F 1458a_100011308366_200000210301 [0,2,0,0,0,0|1,1,0]=4 13635 B13R1.164 CC(=O)CCc1ccc(cc1C)C 1458a_100000239910_200000210301 [0,2,0,0,0,0|2,0,0]=4 13636 B13R1.164 CC(=O)CCc1ccc(cc1C)F 1458a_100011615716_200000210301 [0,2,0,0,0,0|2,0,0]=4 13637 B13R1.164 CC(=O)CCc1ccc(cc1Cl)Br 1458a_100012349522_200000210301 [0,2,0,0,0,0|1,0,0]=3 13638 B13R1.164 CC(=O)CCc1ccc(cc1Cl)Cl 1458a_100000070787_200012161198 [0,2,0,0,0,0|1,0,0]=3 13639 B13R1.164 CC(=O)CCc1ccc(cc1Cl)Cl 1458a_100000736762_200000210301 [0,2,0,0,0,0|1,0,0]=3 13640 B13R1.164 CC(=O)CCc1ccc(cc1Cl)F 1458a_100011308368_200000210301 [0,2,0,0,0,0|1,0,0]=3 13641 B13R1.164 CC(=O)CCc1ccc(cc1F)Br 1458a_100000747174_200000210301 [0,2,0,0,0,0|1,1,0]=4 13642 B13R1.164 CC(=O)CCc1ccc(cc1F)C 1458a_100000061718_200000210301 [0,2,0,0,0,0|1,1,0]=4 13643 B13R1.164 CC(=O)CCc1ccc(cc1F)Cl 1458a_100012351355_200000210301 [0,2,0,0,0,0|1,1,0]=4 13644 B13R1.164 CC(=O)CCc1ccc(cc1F)F 1458a_100000691965_200000210301 [0,2,0,0,0,0|1,1,0]=4 13645 B13R1.164 CC(=O)CCc1ccc(cc1O)O 1458a_100000041388_200000210301 [0,2,0,0,0,0|2,0,0]=4 13646 B13R1.164 CC(=O)COc1ccc(cc1Cl)Br 1458a_100000185252_200000210301 [0,2,0,0,0,0|2,0,0]=4 13647 B13R1.164 CC(=O)COc1ccc(cc1Cl)C 1458a_200011725833_200000210301 [0,2,0,0,0,0|2,0,0]=4 13648 B13R1.164 CC(=O)COc1ccc(cc1Cl)Cl 1458a_100102647096_200000210301 [0,2,0,0,0,0|2,0,0]=4 13649 B13R1.164 CC(=O)COc1ccc(cc1Cl)F 1458a_100000191239_200000210301 [0,2,0,0,0,0|2,0,0]=4 13650 B13R1.164 CC(=O)NCc1ccc(cc1Cl)Br 11a_100020628970_100015343762 [0,2,0,0,0,0|2,0,0]=4 13651 B13R1.164 CC(=O)NCc1ccc(cc1Cl)Br 1626a_100020628970_100015343762 [0,2,0,0,0,0|2,0,0]=4 13652 B13R1.164 CC(=O)NCc1ccc(cc1Cl)Br 240690a_100020628970_100015343762 [0,2,0,0,0,0|2,0,0]=4 13653 B13R1.164 CC(=O)NCc1ccc(cc1Cl)Br 527a_100020628970_100103153847 [0,2,0,0,0,0|2,0,0]=4 13654 B13R1.164 CC(=O)NCc1ccc(cc1Cl)C 11a_100011997539_100015343762 [0,2,0,0,0,0|2,0,0]=4 13655 B13R1.164 CC(=O)NCc1ccc(cc1Cl)C 1626a_100011997539_100015343762 [0,2,0,0,0,0|2,0,0]=4 13656 B13R1.164 CC(=O)NCc1ccc(cc1Cl)C 240690a_100011997539_100015343762 [0,2,0,0,0,0|2,0,0]=4 13657 B13R1.164 CC(=O)NCc1ccc(cc1Cl)C 527a_100011997539_100103153847 [0,2,0,0,0,0|2,0,0]=4 13658 B13R1.164 CC(=O)NCc1ccc(cc1Cl)Cl 11a_100000174880_100015343762 [0,2,0,0,0,0|2,0,0]=4 13659 B13R1.164 CC(=O)NCc1ccc(cc1Cl)Cl 1626a_100000174880_100015343762 [0,2,0,0,0,0|2,0,0]=4 13660 B13R1.164 CC(=O)NCc1ccc(cc1Cl)Cl 240690a_100000174880_100015343762 [0,2,0,0,0,0|2,0,0]=4 13661 B13R1.164 CC(=O)NCc1ccc(cc1Cl)Cl 527a_100000174880_100103153847 [0,2,0,0,0,0|2,0,0]=4 13662 B13R1.164 CC(=O)NCc1ccc(cc1Cl)F 11a_100000174946_100015343762 [0,2,0,0,0,0|2,0,0]=4 13663 B13R1.164 CC(=O)NCc1ccc(cc1Cl)F 1626a_100000174946_100015343762 [0,2,0,0,0,0|2,0,0]=4 13664 B13R1.164 CC(=O)NCc1ccc(cc1Cl)F 240690a_100000174946_100015343762 [0,2,0,0,0,0|2,0,0]=4 13665 B13R1.164 CC(=O)NCc1ccc(cc1Cl)F 527a_100000174946_100103153847 [0,2,0,0,0,0|2,0,0]=4 13666 B13R1.164 CC(=O)NCc1ccc(cc1Cl)O 240690a_200161156549_100015343762 [0,2,0,0,0,0|2,0,0]=4 13667 B13R1.164 CC(=O)NCc1ccc(cc1Cl)O 527a_200161156549_100103153847 [0,2,0,0,0,0|2,0,0]=4 13668 B13R1.164 CC(C)CNc1ccc(cc1Cl)Br 34a_100000211467_100000210624 [0,2,0,0,0,0|2,0,0]=4 13669 B13R1.164 CC(C)CNc1ccc(cc1Cl)Cl 34a_100000185861_100000210624 [0,2,0,0,0,0|2,0,0]=4 13670 B13R1.164 CC(C)CNc1ccc(cc1Cl)F 34a_100000212003_100000210624 [0,2,0,0,0,0|2,0,0]=4 13671 B13R1.164 CC(C)CNc1ccc(cc1Cl)I 34a_100011218065_100000210624 [0,2,0,0,0,0|2,0,0]=4 13672 B13R1.164 CC(C)CNc1ccc(cc1Cl)O 34a_100011215599_100000210624 [0,2,0,0,0,0|2,0,0]=4 13673 B13R1.164 CC(C)COc1ccc(cc1Cl)Br 34a_100000186472_100000210624 [0,2,0,0,0,0|2,0,0]=4 13674 B13R1.164 CC(C)COc1ccc(cc1Cl)Br 7a_100000186472_100000210760 [0,2,0,0,0,0|2,0,0]=4 13675 B13R1.164 CC(C)COc1ccc(cc1Cl)Cl 34a_100015191787_100000210624 [0,2,0,0,0,0|2,0,0]=4 13676 B13R1.164 CC(C)COc1ccc(cc1Cl)Cl 7a_100015191787_100000210760 [0,2,0,0,0,0|2,0,0]=4 13677 B13R1.164 CC(C)COc1ccc(cc1Cl)F 34a_100000212004_100000210624 [0,2,0,0,0,0|2,0,0]=4 13678 B13R1.164 CC(C)COc1ccc(cc1Cl)F 7a_100000212004_100000210760 [0,2,0,0,0,0|2,0,0]=4 13679 B13R1.164 CC(C)COc1ccc(cc1Cl)I 34a_100012360047_100000210624 [0,2,0,0,0,0|2,0,0]=4 13680 B13R1.164 CC(C)COc1ccc(cc1Cl)I 7a_100012360047_100000210760 [0,2,0,0,0,0|2,0,0]=4 13681 B13R1.164 CC(C)COc1ccc(cc1Cl)N 34a_100000744943_100000210624 [0,2,0,0,0,0|2,0,0]=4 13682 B13R1.164 CC(C)COc1ccc(cc1Cl)N 7a_100000744943_100000210760 [0,2,0,0,0,0|2,0,0]=4 13683 B13R1.164 CC(C)CSc1ccc(cc1Cl)Br 62a_100000210624_100011216062 [0,2,0,0,0,0|2,0,0]=4 13684 B13R1.164 CC(C)CSc1ccc(cc1Cl)Br 62a_100011216062_100000210760 [0,2,0,0,0,0|2,0,0]=4 13685 B13R1.164 CC(C)CSc1ccc(cc1Cl)Cl 62a_100000210624_100000699841 [0,2,0,0,0,0|2,0,0]=4 13686 B13R1.164 CC(C)CSc1ccc(cc1Cl)Cl 62a_100000699841_100000210760 [0,2,0,0,0,0|2,0,0]=4 13687 B13R1.164 CC(C)CSc1ccc(cc1Cl)F 62a_100000210624_100000733362 [0,2,0,0,0,0|2,0,0]=4 13688 B13R1.164 CC(C)CSc1ccc(cc1Cl)F 62a_100000733362_100000210760 [0,2,0,0,0,0|2,0,0]=4 13689 B13R1.164 CC(C)CSc1ccc(cc1Cl)N 62a_100000210624_100000761885 [0,2,0,0,0,0|2,0,0]=4 13690 B13R1.164 CC(C)CSc1ccc(cc1Cl)N 62a_100000761885_100000210760 [0,2,0,0,0,0|2,0,0]=4 13691 B13R1.164 CC(C)CSc1ccc(cc1Cl)O 62a_100000047559_100000210760 [0,2,0,0,0,0|2,0,0]=4 13692 B13R1.164 CC(C)CSc1ccc(cc1Cl)O 62a_100000210624_100000047559 [0,2,0,0,0,0|2,0,0]=4 13693 B13R1.164 CC(C)NCc1ccc(cc1Cl)Br 207a_100138425928_100000764164 [0,2,0,0,0,0|2,0,0]=4 13694 B13R1.164 CC(C)NCc1ccc(cc1Cl)Br 2230a_100138425928_100011740631 [0,2,0,0,0,0|2,0,0]=4 13695 B13R1.164 CC(C)NCc1ccc(cc1Cl)Br 34a_100020628970_100000210206 [0,2,0,0,0,0|2,0,0]=4 13696 B13R1.164 CC(C)NCc1ccc(cc1Cl)Br 34a_100138425928_100011740631 [0,2,0,0,0,0|2,0,0]=4 13697 B13R1.164 CC(C)NCc1ccc(cc1Cl)Cl 207a_100138425928_100000188887 [0,2,0,0,0,0|2,0,0]=4 13698 B13R1.164 CC(C)NCc1ccc(cc1Cl)Cl 2230a_100138425928_100000188473 [0,2,0,0,0,0|2,0,0]=4 13699 B13R1.164 CC(C)NCc1ccc(cc1Cl)Cl 34a_100000174880_100000210206 [0,2,0,0,0,0|2,0,0]=4 13700 B13R1.164 CC(C)NCc1ccc(cc1Cl)Cl 34a_100138425928_100000188473 [0,2,0,0,0,0|2,0,0]=4 13701 B13R1.164 CC(C)NCc1ccc(cc1Cl)F 207a_100138425928_100000752949 [0,2,0,0,0,0|2,0,0]=4 13702 B13R1.164 CC(C)NCc1ccc(cc1Cl)F 2230a_100138425928_100011216360 [0,2,0,0,0,0|2,0,0]=4 13703 B13R1.164 CC(C)NCc1ccc(cc1Cl)F 34a_100000174946_100000210206 [0,2,0,0,0,0|2,0,0]=4 13704 B13R1.164 CC(C)NCc1ccc(cc1Cl)F 34a_100138425928_100011216360 [0,2,0,0,0,0|2,0,0]=4 13705 B13R1.164 CC(C)NCc1ccc(cc1Cl)I 207a_100138425928_100000727542 [0,2,0,0,0,0|2,0,0]=4 13706 B13R1.164 CC(C)NCc1ccc(cc1Cl)O 34a_200161156549_100000210206 [0,2,0,0,0,0|2,0,0]=4 13707 B13R1.164 CC(C)OCc1ccc(cc1Cl)Br 34a_100000212225_100011740631 [0,2,0,0,0,0|2,0,0]=4 13708 B13R1.164 CC(C)OCc1ccc(cc1Cl)Br 34a_100000756401_100000210206 [0,2,0,0,0,0|2,0,0]=4 13709 B13R1.164 CC(C)OCc1ccc(cc1Cl)Br 7a_100000756401_100000210206 [0,2,0,0,0,0|2,0,0]=4 13710 B13R1.164 CC(C)OCc1ccc(cc1Cl)Cl 34a_100000212225_100000188473 [0,2,0,0,0,0|2,0,0]=4 13711 B13R1.164 CC(C)OCc1ccc(cc1Cl)Cl 34a_100000215721_100000210206 [0,2,0,0,0,0|2,0,0]=4 13712 B13R1.164 CC(C)OCc1ccc(cc1Cl)Cl 7a_100000215721_100000210206 [0,2,0,0,0,0|2,0,0]=4 13713 B13R1.164 CC(C)OCc1ccc(cc1Cl)F 34a_100000212225_100011216360 [0,2,0,0,0,0|2,0,0]=4 13714 B13R1.164 CC(C)OCc1ccc(cc1Cl)F 34a_100011219954_100000210206 [0,2,0,0,0,0|2,0,0]=4 13715 B13R1.164 CC(C)OCc1ccc(cc1Cl)F 7a_100011219954_100000210206 [0,2,0,0,0,0|2,0,0]=4 13716 B13R1.164 CC(C)OCc1ccc(cc1Cl)N 34a_100000689119_100000210206 [0,2,0,0,0,0|2,0,0]=4 13717 B13R1.164 CC(C)SCc1ccc(cc1Cl)Br 62a_100000210206_100011740631 [0,2,0,0,0,0|2,0,0]=4 13718 B13R1.164 CC(C)SCc1ccc(cc1Cl)Br 62a_100011740631_100000210206 [0,2,0,0,0,0|2,0,0]=4 13719 B13R1.164 CC(C)SCc1ccc(cc1Cl)Cl 62a_100000188473_100000210206 [0,2,0,0,0,0|2,0,0]=4 13720 B13R1.164 CC(C)SCc1ccc(cc1Cl)Cl 62a_100000210206_100000188473 [0,2,0,0,0,0|2,0,0]=4 13721 B13R1.164 CC(C)SCc1ccc(cc1Cl)F 62a_100000187853_100000210206 [0,2,0,0,0,0|2,0,0]=4 13722 B13R1.164 CC(C)SCc1ccc(cc1Cl)F 62a_100000210206_100000187853 [0,2,0,0,0,0|2,0,0]=4 13723 B13R1.164 CC(O)CNc1ccc(cc1Cl)Br 34a_100000211467_100011218427 [0,2,0,0,0,0|2,0,0]=4 13724 B13R1.164 CC(O)CNc1ccc(cc1Cl)Cl 34a_100000185861_100011218427 [0,2,0,0,0,0|2,0,0]=4 13725 B13R1.164 CC(O)CNc1ccc(cc1Cl)F 34a_100000212003_100011218427 [0,2,0,0,0,0|2,0,0]=4 13726 B13R1.164 CC(O)CNc1ccc(cc1Cl)I 34a_100011218065_100011218427 [0,2,0,0,0,0|2,0,0]=4 13727 B13R1.164 CC(O)CNc1ccc(cc1Cl)O 34a_100011215599_100011218427 [0,2,0,0,0,0|2,0,0]=4 13728 B13R1.164 CC(O)COc1ccc(cc1Cl)Br 34a_100000186472_100011218427 [0,2,0,0,0,0|2,0,0]=4 13729 B13R1.164 CC(O)COc1ccc(cc1Cl)Br 7a_100000186472_100011218427 [0,2,0,0,0,0|2,0,0]=4 13730 B13R1.164 CC(O)COc1ccc(cc1Cl)Cl 34a_100015191787_100011218427 [0,2,0,0,0,0|2,0,0]=4 13731 B13R1.164 CC(O)COc1ccc(cc1Cl)Cl 7a_100015191787_100011218427 [0,2,0,0,0,0|2,0,0]=4 13732 B13R1.164 CC(O)COc1ccc(cc1Cl)F 34a_100000212004_100011218427 [0,2,0,0,0,0|2,0,0]=4 13733 B13R1.164 CC(O)COc1ccc(cc1Cl)F 7a_100000212004_100011218427 [0,2,0,0,0,0|2,0,0]=4 13734 B13R1.164 CC(O)COc1ccc(cc1Cl)I 34a_100012360047_100011218427 [0,2,0,0,0,0|2,0,0]=4 13735 B13R1.164 CC(O)COc1ccc(cc1Cl)I 7a_100012360047_100011218427 [0,2,0,0,0,0|2,0,0]=4 13736 B13R1.164 CC(O)COc1ccc(cc1Cl)N 34a_100000744943_100011218427 [0,2,0,0,0,0|2,0,0]=4 13737 B13R1.164 CC(O)COc1ccc(cc1Cl)N 7a_100000744943_100011218427 [0,2,0,0,0,0|2,0,0]=4 13738 B13R1.164 CC(O)CSc1ccc(cc1Cl)Br 62a_100011216062_100011218427 [0,2,0,0,0,0|2,0,0]=4 13739 B13R1.164 CC(O)CSc1ccc(cc1Cl)Br 62a_100011218427_100011216062 [0,2,0,0,0,0|2,0,0]=4 13740 B13R1.164 CC(O)CSc1ccc(cc1Cl)Cl 62a_100000699841_100011218427 [0,2,0,0,0,0|2,0,0]=4 13741 B13R1.164 CC(O)CSc1ccc(cc1Cl)Cl 62a_100011218427_100000699841 [0,2,0,0,0,0|2,0,0]=4 13742 B13R1.164 CC(O)CSc1ccc(cc1Cl)F 62a_100000733362_100011218427 [0,2,0,0,0,0|2,0,0]=4 13743 B13R1.164 CC(O)CSc1ccc(cc1Cl)F 62a_100011218427_100000733362 [0,2,0,0,0,0|2,0,0]=4 13744 B13R1.164 CC(O)CSc1ccc(cc1Cl)N 62a_100000761885_100011218427 [0,2,0,0,0,0|2,0,0]=4 13745 B13R1.164 CC(O)CSc1ccc(cc1Cl)N 62a_100011218427_100000761885 [0,2,0,0,0,0|2,0,0]=4 13746 B13R1.164 CC(O)CSc1ccc(cc1Cl)O 62a_100000047559_100011218427 [0,2,0,0,0,0|2,0,0]=4 13747 B13R1.164 CC(O)CSc1ccc(cc1Cl)O 62a_100011218427_100000047559 [0,2,0,0,0,0|2,0,0]=4 13748 B13R1.164 CN(C)CCc1ccc(cc1Br)Cl 2230a_100102631434_200012945151 [0,2,0,0,0,0|0,1,0]=3 13749 B13R1.164 CN(C)CCc1ccc(cc1Br)Cl 269982a_100102631434_200012945151 [0,2,0,0,0,0|0,1,0]=3 13750 B13R1.164 CN(C)CCc1ccc(cc1Cl)Cl 2230a_100102631434_200012161198 [0,2,0,0,0,0|0,0,0]=2 13751 B13R1.164 CN(C)CCc1ccc(cc1Cl)Cl 269982a_100102631434_200012161198 [0,2,0,0,0,0|0,0,0]=2 13752 B13R1.164 C[C@@H](O)CNc1ccc(cc1Cl)Br 34a_100000211467_100009817552 [0,2,0,0,0,0|2,0,0]=4 13753 B13R1.164 C[C@@H](O)CNc1ccc(cc1Cl)Cl 34a_100000185861_100009817552 [0,2,0,0,0,0|2,0,0]=4 13754 B13R1.164 C[C@@H](O)CNc1ccc(cc1Cl)F 34a_100000212003_100009817552 [0,2,0,0,0,0|2,0,0]=4 13755 B13R1.164 C[C@@H](O)CNc1ccc(cc1Cl)I 34a_100011218065_100009817552 [0,2,0,0,0,0|2,0,0]=4 13756 B13R1.164 C[C@@H](O)CNc1ccc(cc1Cl)O 34a_100011215599_100009817552 [0,2,0,0,0,0|2,0,0]=4 13757 B13R1.164 C[C@@H](O)COc1ccc(cc1Cl)Br 34a_100000186472_100009817552 [0,2,0,0,0,0|2,0,0]=4 13758 B13R1.164 C[C@@H](O)COc1ccc(cc1Cl)Br 7a_100000186472_100009817552 [0,2,0,0,0,0|2,0,0]=4 13759 B13R1.164 C[C@@H](O)COc1ccc(cc1Cl)Cl 34a_100015191787_100009817552 [0,2,0,0,0,0|2,0,0]=4 13760 B13R1.164 C[C@@H](O)COc1ccc(cc1Cl)Cl 7a_100015191787_100009817552 [0,2,0,0,0,0|2,0,0]=4 13761 B13R1.164 C[C@@H](O)COc1ccc(cc1Cl)F 34a_100000212004_100009817552 [0,2,0,0,0,0|2,0,0]=4 13762 B13R1.164 C[C@@H](O)COc1ccc(cc1Cl)F 7a_100000212004_100009817552 [0,2,0,0,0,0|2,0,0]=4 13763 B13R1.164 C[C@@H](O)COc1ccc(cc1Cl)I 34a_100012360047_100009817552 [0,2,0,0,0,0|2,0,0]=4 13764 B13R1.164 C[C@@H](O)COc1ccc(cc1Cl)I 7a_100012360047_100009817552 [0,2,0,0,0,0|2,0,0]=4 13765 B13R1.164 C[C@@H](O)COc1ccc(cc1Cl)N 34a_100000744943_100009817552 [0,2,0,0,0,0|2,0,0]=4 13766 B13R1.164 C[C@@H](O)COc1ccc(cc1Cl)N 7a_100000744943_100009817552 [0,2,0,0,0,0|2,0,0]=4 13767 B13R1.164 C[C@@H](O)CSc1ccc(cc1Cl)Br 62a_100009817552_100011216062 [0,2,0,0,0,0|2,0,0]=4 13768 B13R1.164 C[C@@H](O)CSc1ccc(cc1Cl)Br 62a_100011216062_100009817552 [0,2,0,0,0,0|2,0,0]=4 13769 B13R1.164 C[C@@H](O)CSc1ccc(cc1Cl)Cl 62a_100000699841_100009817552 [0,2,0,0,0,0|2,0,0]=4 13770 B13R1.164 C[C@@H](O)CSc1ccc(cc1Cl)Cl 62a_100009817552_100000699841 [0,2,0,0,0,0|2,0,0]=4 13771 B13R1.164 C[C@@H](O)CSc1ccc(cc1Cl)F 62a_100000733362_100009817552 [0,2,0,0,0,0|2,0,0]=4 13772 B13R1.164 C[C@@H](O)CSc1ccc(cc1Cl)F 62a_100009817552_100000733362 [0,2,0,0,0,0|2,0,0]=4 13773 B13R1.164 C[C@@H](O)CSc1ccc(cc1Cl)N 62a_100000761885_100009817552 [0,2,0,0,0,0|2,0,0]=4 13774 B13R1.164 C[C@@H](O)CSc1ccc(cc1Cl)N 62a_100009817552_100000761885 [0,2,0,0,0,0|2,0,0]=4 13775 B13R1.164 C[C@@H](O)CSc1ccc(cc1Cl)O 62a_100000047559_100009817552 [0,2,0,0,0,0|2,0,0]=4 13776 B13R1.164 C[C@@H](O)CSc1ccc(cc1Cl)O 62a_100009817552_100000047559 [0,2,0,0,0,0|2,0,0]=4 13777 B13R1.164 Cc1cc(ccc1CCC(=O)[13CH3])F 1458a_100011615716_200025704644 [0,2,0,0,0,0|2,0,0]=4 13778 B13R1.164 Cc1ccc(c(c1)C)CCC(=O)[13CH3] 1458a_100000239910_200025704644 [0,2,0,0,0,0|2,0,0]=4 13779 B13R1.164 Cc1ccc(c(c1)C)CCN(C)C 270004a_100102631434_100011754701 [0,2,0,0,0,0|1,0,0]=3 13780 B13R1.164 Cc1ccc(c(c1)Cl)CNC(C)C 207a_100138425928_100011935181 [0,2,0,0,0,0|2,0,0]=4 13781 B13R1.164 Cc1ccc(c(c1)Cl)CNC(C)C 2230a_100138425928_100012349684 [0,2,0,0,0,0|2,0,0]=4 13782 B13R1.164 Cc1ccc(c(c1)Cl)CNC(C)C 34a_100011997539_100000210206 [0,2,0,0,0,0|2,0,0]=4 13783 B13R1.164 Cc1ccc(c(c1)Cl)CNC(C)C 34a_100138425928_100012349684 [0,2,0,0,0,0|2,0,0]=4 13784 B13R1.164 Cc1ccc(c(c1)Cl)COC(C)C 34a_100000212225_100012349684 [0,2,0,0,0,0|2,0,0]=4 13785 B13R1.164 Cc1ccc(c(c1)Cl)COC(C)C 34a_100000720314_100000210206 [0,2,0,0,0,0|2,0,0]=4 13786 B13R1.164 Cc1ccc(c(c1)Cl)COC(C)C 7a_100000720314_100000210206 [0,2,0,0,0,0|2,0,0]=4 13787 B13R1.164 Cc1ccc(c(c1)Cl)CSC(C)C 62a_100000210206_100012349684 [0,2,0,0,0,0|2,0,0]=4 13788 B13R1.164 Cc1ccc(c(c1)Cl)CSC(C)C 62a_100012349684_100000210206 [0,2,0,0,0,0|2,0,0]=4 13789 B13R1.164 Cc1ccc(c(c1)Cl)NCC(C)C 34a_100000210522_100000210624 [0,2,0,0,0,0|2,0,0]=4 13790 B13R1.164 Cc1ccc(c(c1)Cl)NCC(C)O 34a_100000210522_100011218427 [0,2,0,0,0,0|2,0,0]=4 13791 B13R1.164 Cc1ccc(c(c1)Cl)NC[C@@H](C)O 34a_100000210522_100009817552 [0,2,0,0,0,0|2,0,0]=4 13792 B13R1.164 Cc1ccc(c(c1)Cl)OCC(=O)[13CH3] 1458a_200011725833_200025704644 [0,2,0,0,0,0|2,0,0]=4 13793 B13R1.164 Cc1ccc(c(c1)Cl)OCC(C)C 34a_100000749699_100000210624 [0,2,0,0,0,0|2,0,0]=4 13794 B13R1.164 Cc1ccc(c(c1)Cl)OCC(C)C 7a_100000749699_100000210760 [0,2,0,0,0,0|2,0,0]=4 13795 B13R1.164 Cc1ccc(c(c1)Cl)OCC(C)O 34a_100000749699_100011218427 [0,2,0,0,0,0|2,0,0]=4 13796 B13R1.164 Cc1ccc(c(c1)Cl)OCC(C)O 7a_100000749699_100011218427 [0,2,0,0,0,0|2,0,0]=4 13797 B13R1.164 Cc1ccc(c(c1)Cl)OC[C@@H](C)O 34a_100000749699_100009817552 [0,2,0,0,0,0|2,0,0]=4 13798 B13R1.164 Cc1ccc(c(c1)Cl)OC[C@@H](C)O 7a_100000749699_100009817552 [0,2,0,0,0,0|2,0,0]=4 13799 B13R1.164 Cc1ccc(c(c1)Cl)SCC(C)C 62a_100000210624_100011263221 [0,2,0,0,0,0|2,0,0]=4 13800 B13R1.164 Cc1ccc(c(c1)Cl)SCC(C)C 62a_100011263221_100000210760 [0,2,0,0,0,0|2,0,0]=4 13801 B13R1.164 Cc1ccc(c(c1)Cl)SCC(C)O 62a_100011218427_100011263221 [0,2,0,0,0,0|2,0,0]=4 13802 B13R1.164 Cc1ccc(c(c1)Cl)SCC(C)O 62a_100011263221_100011218427 [0,2,0,0,0,0|2,0,0]=4 13803 B13R1.164 Cc1ccc(c(c1)Cl)SC[C@@H](C)O 62a_100009817552_100011263221 [0,2,0,0,0,0|2,0,0]=4 13804 B13R1.164 Cc1ccc(c(c1)Cl)SC[C@@H](C)O 62a_100011263221_100009817552 [0,2,0,0,0,0|2,0,0]=4 13805 B13R1.164 Cc1ccc(c(c1)F)CCC(=O)[13CH3] 1458a_100000061718_200025704644 [0,2,0,0,0,0|1,1,0]=4 13806 B13R1.164 [13CH3]C(=O)CCc1ccc(cc1Br)F 1458a_100011308366_200025704644 [0,2,0,0,0,0|1,1,0]=4 13807 B13R1.164 [13CH3]C(=O)CCc1ccc(cc1Cl)Br 1458a_100012349522_200025704644 [0,2,0,0,0,0|1,0,0]=3 13808 B13R1.164 [13CH3]C(=O)CCc1ccc(cc1Cl)Cl 1458a_100000736762_200025704644 [0,2,0,0,0,0|1,0,0]=3 13809 B13R1.164 [13CH3]C(=O)CCc1ccc(cc1Cl)F 1458a_100011308368_200025704644 [0,2,0,0,0,0|1,0,0]=3 13810 B13R1.164 [13CH3]C(=O)CCc1ccc(cc1F)Br 1458a_100000747174_200025704644 [0,2,0,0,0,0|1,1,0]=4 13811 B13R1.164 [13CH3]C(=O)CCc1ccc(cc1F)Cl 1458a_100012351355_200025704644 [0,2,0,0,0,0|1,1,0]=4 13812 B13R1.164 [13CH3]C(=O)CCc1ccc(cc1F)F 1458a_100000691965_200025704644 [0,2,0,0,0,0|1,1,0]=4 13813 B13R1.164 [13CH3]C(=O)CCc1ccc(cc1O)O 1458a_100000041388_200025704644 [0,2,0,0,0,0|2,0,0]=4 13814 B13R1.164 [13CH3]C(=O)COc1ccc(cc1Cl)Br 1458a_100000185252_200025704644 [0,2,0,0,0,0|2,0,0]=4 13815 B13R1.164 [13CH3]C(=O)COc1ccc(cc1Cl)Cl 1458a_100102647096_200025704644 [0,2,0,0,0,0|2,0,0]=4 13816 B13R1.164 [13CH3]C(=O)COc1ccc(cc1Cl)F 1458a_100000191239_200025704644 [0,2,0,0,0,0|2,0,0]=4 13817 B13R1.369 C#CCCNc1ccc(cc1Cl)Br 34a_100000211467_100000688953 [0,2,0,0,0,0|1,0,1]=4 13818 B13R1.369 C#CCCNc1ccc(cc1Cl)C 34a_100000210522_100000688953 [0,2,0,0,0,0|1,0,1]=4 13819 B13R1.369 C#CCCNc1ccc(cc1Cl)Cl 34a_100000185861_100000688953 [0,2,0,0,0,0|1,0,1]=4 13820 B13R1.369 C#CCCNc1ccc(cc1Cl)F 34a_100000212003_100000688953 [0,2,0,0,0,0|1,0,1]=4 13821 B13R1.369 C#CCCNc1ccc(cc1Cl)I 34a_100011218065_100000688953 [0,2,0,0,0,0|1,0,1]=4 13822 B13R1.369 C#CCCNc1ccc(cc1Cl)O 34a_100011215599_100000688953 [0,2,0,0,0,0|1,0,1]=4 13823 B13R1.369 C#CCCOc1ccc(cc1Cl)Br 34a_100000186472_100000688953 [0,2,0,0,0,0|1,0,1]=4 13824 B13R1.369 C#CCCOc1ccc(cc1Cl)Br 7a_100000186472_100000688953 [0,2,0,0,0,0|1,0,1]=4 13825 B13R1.369 C#CCCOc1ccc(cc1Cl)C 34a_100000749699_100000688953 [0,2,0,0,0,0|1,0,1]=4 13826 B13R1.369 C#CCCOc1ccc(cc1Cl)C 7a_100000749699_100000688953 [0,2,0,0,0,0|1,0,1]=4 13827 B13R1.369 C#CCCOc1ccc(cc1Cl)Cl 34a_100015191787_100000688953 [0,2,0,0,0,0|1,0,1]=4 13828 B13R1.369 C#CCCOc1ccc(cc1Cl)Cl 7a_100015191787_100000688953 [0,2,0,0,0,0|1,0,1]=4 13829 B13R1.369 C#CCCOc1ccc(cc1Cl)F 34a_100000212004_100000688953 [0,2,0,0,0,0|1,0,1]=4 13830 B13R1.369 C#CCCOc1ccc(cc1Cl)F 7a_100000212004_100000688953 [0,2,0,0,0,0|1,0,1]=4 13831 B13R1.369 C#CCCOc1ccc(cc1Cl)I 34a_100012360047_100000688953 [0,2,0,0,0,0|1,0,1]=4 13832 B13R1.369 C#CCCOc1ccc(cc1Cl)I 7a_100012360047_100000688953 [0,2,0,0,0,0|1,0,1]=4 13833 B13R1.369 C#CCCOc1ccc(cc1Cl)N 34a_100000744943_100000688953 [0,2,0,0,0,0|1,0,1]=4 13834 B13R1.369 C#CCCOc1ccc(cc1Cl)N 7a_100000744943_100000688953 [0,2,0,0,0,0|1,0,1]=4 13835 B13R1.369 C#CCCSc1ccc(cc1Cl)Br 62a_100000688953_100011216062 [0,2,0,0,0,0|1,0,1]=4 13836 B13R1.369 C#CCCSc1ccc(cc1Cl)Br 62a_100011216062_100000688953 [0,2,0,0,0,0|1,0,1]=4 13837 B13R1.369 C#CCCSc1ccc(cc1Cl)C 62a_100000688953_100011263221 [0,2,0,0,0,0|1,0,1]=4 13838 B13R1.369 C#CCCSc1ccc(cc1Cl)C 62a_100011263221_100000688953 [0,2,0,0,0,0|1,0,1]=4 13839 B13R1.369 C#CCCSc1ccc(cc1Cl)Cl 62a_100000688953_100000699841 [0,2,0,0,0,0|1,0,1]=4 13840 B13R1.369 C#CCCSc1ccc(cc1Cl)Cl 62a_100000699841_100000688953 [0,2,0,0,0,0|1,0,1]=4 13841 B13R1.369 C#CCCSc1ccc(cc1Cl)F 62a_100000688953_100000733362 [0,2,0,0,0,0|1,0,1]=4 13842 B13R1.369 C#CCCSc1ccc(cc1Cl)F 62a_100000733362_100000688953 [0,2,0,0,0,0|1,0,1]=4 13843 B13R1.369 C#CCCSc1ccc(cc1Cl)N 62a_100000688953_100000761885 [0,2,0,0,0,0|1,0,1]=4 13844 B13R1.369 C#CCCSc1ccc(cc1Cl)N 62a_100000761885_100000688953 [0,2,0,0,0,0|1,0,1]=4 13845 B13R1.369 C#CCCSc1ccc(cc1Cl)O 62a_100000047559_100000688953 [0,2,0,0,0,0|1,0,1]=4 13846 B13R1.369 C#CCCSc1ccc(cc1Cl)O 62a_100000688953_100000047559 [0,2,0,0,0,0|1,0,1]=4 13847 B13R1.369 C#CCNCc1ccc(cc1Cl)Br 34a_100000212058_100011740631 [0,2,0,0,0,0|1,0,1]=4 13848 B13R1.369 C#CCNCc1ccc(cc1Cl)Br 34a_100020628970_100000184674 [0,2,0,0,0,0|1,0,1]=4 13849 B13R1.369 C#CCNCc1ccc(cc1Cl)C 34a_100000212058_100012349684 [0,2,0,0,0,0|1,0,1]=4 13850 B13R1.369 C#CCNCc1ccc(cc1Cl)C 34a_100011997539_100000184674 [0,2,0,0,0,0|1,0,1]=4 13851 B13R1.369 C#CCNCc1ccc(cc1Cl)Cl 34a_100000174880_100000184674 [0,2,0,0,0,0|1,0,1]=4 13852 B13R1.369 C#CCNCc1ccc(cc1Cl)Cl 34a_100000212058_100000188473 [0,2,0,0,0,0|1,0,1]=4 13853 B13R1.369 C#CCNCc1ccc(cc1Cl)F 34a_100000174946_100000184674 [0,2,0,0,0,0|1,0,1]=4 13854 B13R1.369 C#CCNCc1ccc(cc1Cl)F 34a_100000212058_100011216360 [0,2,0,0,0,0|1,0,1]=4 13855 B13R1.369 C#CCNCc1ccc(cc1Cl)O 34a_200161156549_100000184674 [0,2,0,0,0,0|1,0,1]=4 13856 B13R1.369 C#CCOCc1ccc(cc1Cl)Br 34a_100000210247_100011740631 [0,2,0,0,0,0|1,0,1]=4 13857 B13R1.369 C#CCOCc1ccc(cc1Cl)Br 34a_100000756401_100000184674 [0,2,0,0,0,0|1,0,1]=4 13858 B13R1.369 C#CCOCc1ccc(cc1Cl)Br 7a_100000756401_100000038162 [0,2,0,0,0,0|1,0,1]=4 13859 B13R1.369 C#CCOCc1ccc(cc1Cl)C 34a_100000210247_100012349684 [0,2,0,0,0,0|1,0,1]=4 13860 B13R1.369 C#CCOCc1ccc(cc1Cl)C 34a_100000720314_100000184674 [0,2,0,0,0,0|1,0,1]=4 13861 B13R1.369 C#CCOCc1ccc(cc1Cl)C 7a_100000720314_100000038162 [0,2,0,0,0,0|1,0,1]=4 13862 B13R1.369 C#CCOCc1ccc(cc1Cl)Cl 34a_100000210247_100000188473 [0,2,0,0,0,0|1,0,1]=4 13863 B13R1.369 C#CCOCc1ccc(cc1Cl)Cl 34a_100000215721_100000184674 [0,2,0,0,0,0|1,0,1]=4 13864 B13R1.369 C#CCOCc1ccc(cc1Cl)Cl 7a_100000215721_100000038162 [0,2,0,0,0,0|1,0,1]=4 13865 B13R1.369 C#CCOCc1ccc(cc1Cl)F 34a_100000210247_100011216360 [0,2,0,0,0,0|1,0,1]=4 13866 B13R1.369 C#CCOCc1ccc(cc1Cl)F 34a_100011219954_100000184674 [0,2,0,0,0,0|1,0,1]=4 13867 B13R1.369 C#CCOCc1ccc(cc1Cl)F 7a_100011219954_100000038162 [0,2,0,0,0,0|1,0,1]=4 13868 B13R1.369 C#CCOCc1ccc(cc1Cl)N 34a_100000689119_100000184674 [0,2,0,0,0,0|1,0,1]=4 13869 B13R1.369 C#CCSCc1ccc(cc1Cl)Br 62a_100000038162_100011740631 [0,2,0,0,0,0|1,0,1]=4 13870 B13R1.369 C#CCSCc1ccc(cc1Cl)C 62a_100000038162_100012349684 [0,2,0,0,0,0|1,0,1]=4 13871 B13R1.369 C#CCSCc1ccc(cc1Cl)Cl 62a_100000038162_100000188473 [0,2,0,0,0,0|1,0,1]=4 13872 B13R1.369 C#CCSCc1ccc(cc1Cl)F 62a_100000038162_100000187853 [0,2,0,0,0,0|1,0,1]=4 13873 B13R1.369 C/C=C/CNc1ccc(cc1Cl)Br 34a_100000211467_100102629194 [0,2,0,0,0,0|1,0,1]=4 13874 B13R1.369 C/C=C/CNc1ccc(cc1Cl)C 34a_100000210522_100102629194 [0,2,0,0,0,0|1,0,1]=4 13875 B13R1.369 C/C=C/CNc1ccc(cc1Cl)Cl 34a_100000185861_100102629194 [0,2,0,0,0,0|1,0,1]=4 13876 B13R1.369 C/C=C/CNc1ccc(cc1Cl)F 34a_100000212003_100102629194 [0,2,0,0,0,0|1,0,1]=4 13877 B13R1.369 C/C=C/CNc1ccc(cc1Cl)I 34a_100011218065_100102629194 [0,2,0,0,0,0|1,0,1]=4 13878 B13R1.369 C/C=C/CNc1ccc(cc1Cl)O 34a_100011215599_100102629194 [0,2,0,0,0,0|1,0,1]=4 13879 B13R1.369 C/C=C/COc1ccc(cc1Cl)Br 34a_100000186472_100102629194 [0,2,0,0,0,0|1,0,1]=4 13880 B13R1.369 C/C=C/COc1ccc(cc1Cl)Br 7a_100000186472_100102629194 [0,2,0,0,0,0|1,0,1]=4 13881 B13R1.369 C/C=C/COc1ccc(cc1Cl)C 34a_100000749699_100102629194 [0,2,0,0,0,0|1,0,1]=4 13882 B13R1.369 C/C=C/COc1ccc(cc1Cl)C 7a_100000749699_100102629194 [0,2,0,0,0,0|1,0,1]=4 13883 B13R1.369 C/C=C/COc1ccc(cc1Cl)Cl 34a_100015191787_100102629194 [0,2,0,0,0,0|1,0,1]=4 13884 B13R1.369 C/C=C/COc1ccc(cc1Cl)Cl 7a_100015191787_100102629194 [0,2,0,0,0,0|1,0,1]=4 13885 B13R1.369 C/C=C/COc1ccc(cc1Cl)F 34a_100000212004_100102629194 [0,2,0,0,0,0|1,0,1]=4 13886 B13R1.369 C/C=C/COc1ccc(cc1Cl)F 7a_100000212004_100102629194 [0,2,0,0,0,0|1,0,1]=4 13887 B13R1.369 C/C=C/COc1ccc(cc1Cl)I 34a_100012360047_100102629194 [0,2,0,0,0,0|1,0,1]=4 13888 B13R1.369 C/C=C/COc1ccc(cc1Cl)I 7a_100012360047_100102629194 [0,2,0,0,0,0|1,0,1]=4 13889 B13R1.369 C/C=C/COc1ccc(cc1Cl)N 34a_100000744943_100102629194 [0,2,0,0,0,0|1,0,1]=4 13890 B13R1.369 C/C=C/COc1ccc(cc1Cl)N 7a_100000744943_100102629194 [0,2,0,0,0,0|1,0,1]=4 13891 B13R1.369 C/C=C/CSc1ccc(cc1Cl)Br 62a_100011216062_100102629194 [0,2,0,0,0,0|1,0,1]=4 13892 B13R1.369 C/C=C/CSc1ccc(cc1Cl)Br 62a_100102629194_100011216062 [0,2,0,0,0,0|1,0,1]=4 13893 B13R1.369 C/C=C/CSc1ccc(cc1Cl)C 62a_100011263221_100102629194 [0,2,0,0,0,0|1,0,1]=4 13894 B13R1.369 C/C=C/CSc1ccc(cc1Cl)C 62a_100102629194_100011263221 [0,2,0,0,0,0|1,0,1]=4 13895 B13R1.369 C/C=C/CSc1ccc(cc1Cl)Cl 62a_100000699841_100102629194 [0,2,0,0,0,0|1,0,1]=4 13896 B13R1.369 C/C=C/CSc1ccc(cc1Cl)Cl 62a_100102629194_100000699841 [0,2,0,0,0,0|1,0,1]=4 13897 B13R1.369 C/C=C/CSc1ccc(cc1Cl)F 62a_100000733362_100102629194 [0,2,0,0,0,0|1,0,1]=4 13898 B13R1.369 C/C=C/CSc1ccc(cc1Cl)F 62a_100102629194_100000733362 [0,2,0,0,0,0|1,0,1]=4 13899 B13R1.369 C/C=C/CSc1ccc(cc1Cl)N 62a_100000761885_100102629194 [0,2,0,0,0,0|1,0,1]=4 13900 B13R1.369 C/C=C/CSc1ccc(cc1Cl)N 62a_100102629194_100000761885 [0,2,0,0,0,0|1,0,1]=4 13901 B13R1.369 C/C=C/CSc1ccc(cc1Cl)O 62a_100000047559_100102629194 [0,2,0,0,0,0|1,0,1]=4 13902 B13R1.369 C/C=C/CSc1ccc(cc1Cl)O 62a_100102629194_100000047559 [0,2,0,0,0,0|1,0,1]=4 13903 B13R1.369 C=CCCNc1ccc(cc1Cl)Br 34a_100000211467_100000754431 [0,2,0,0,0,0|1,0,1]=4 13904 B13R1.369 C=CCCNc1ccc(cc1Cl)C 34a_100000210522_100000754431 [0,2,0,0,0,0|1,0,1]=4 13905 B13R1.369 C=CCCNc1ccc(cc1Cl)Cl 34a_100000185861_100000754431 [0,2,0,0,0,0|1,0,1]=4 13906 B13R1.369 C=CCCNc1ccc(cc1Cl)F 34a_100000212003_100000754431 [0,2,0,0,0,0|1,0,1]=4 13907 B13R1.369 C=CCCNc1ccc(cc1Cl)I 34a_100011218065_100000754431 [0,2,0,0,0,0|1,0,1]=4 13908 B13R1.369 C=CCCNc1ccc(cc1Cl)O 34a_100011215599_100000754431 [0,2,0,0,0,0|1,0,1]=4 13909 B13R1.369 C=CCCOc1ccc(cc1Cl)Br 34a_100000186472_100000754431 [0,2,0,0,0,0|1,0,1]=4 13910 B13R1.369 C=CCCOc1ccc(cc1Cl)Br 7a_100000186472_100000754431 [0,2,0,0,0,0|1,0,1]=4 13911 B13R1.369 C=CCCOc1ccc(cc1Cl)C 34a_100000749699_100000754431 [0,2,0,0,0,0|1,0,1]=4 13912 B13R1.369 C=CCCOc1ccc(cc1Cl)C 7a_100000749699_100000754431 [0,2,0,0,0,0|1,0,1]=4 13913 B13R1.369 C=CCCOc1ccc(cc1Cl)Cl 34a_100015191787_100000754431 [0,2,0,0,0,0|1,0,1]=4 13914 B13R1.369 C=CCCOc1ccc(cc1Cl)Cl 7a_100015191787_100000754431 [0,2,0,0,0,0|1,0,1]=4 13915 B13R1.369 C=CCCOc1ccc(cc1Cl)F 34a_100000212004_100000754431 [0,2,0,0,0,0|1,0,1]=4 13916 B13R1.369 C=CCCOc1ccc(cc1Cl)F 7a_100000212004_100000754431 [0,2,0,0,0,0|1,0,1]=4 13917 B13R1.369 C=CCCOc1ccc(cc1Cl)I 34a_100012360047_100000754431 [0,2,0,0,0,0|1,0,1]=4 13918 B13R1.369 C=CCCOc1ccc(cc1Cl)I 7a_100012360047_100000754431 [0,2,0,0,0,0|1,0,1]=4 13919 B13R1.369 C=CCCOc1ccc(cc1Cl)N 34a_100000744943_100000754431 [0,2,0,0,0,0|1,0,1]=4 13920 B13R1.369 C=CCCOc1ccc(cc1Cl)N 7a_100000744943_100000754431 [0,2,0,0,0,0|1,0,1]=4 13921 B13R1.369 C=CCCSc1ccc(cc1Cl)Br 62a_100000754431_100011216062 [0,2,0,0,0,0|1,0,1]=4 13922 B13R1.369 C=CCCSc1ccc(cc1Cl)Br 62a_100011216062_100000754431 [0,2,0,0,0,0|1,0,1]=4 13923 B13R1.369 C=CCCSc1ccc(cc1Cl)C 62a_100000754431_100011263221 [0,2,0,0,0,0|1,0,1]=4 13924 B13R1.369 C=CCCSc1ccc(cc1Cl)C 62a_100011263221_100000754431 [0,2,0,0,0,0|1,0,1]=4 13925 B13R1.369 C=CCCSc1ccc(cc1Cl)Cl 62a_100000699841_100000754431 [0,2,0,0,0,0|1,0,1]=4 13926 B13R1.369 C=CCCSc1ccc(cc1Cl)Cl 62a_100000754431_100000699841 [0,2,0,0,0,0|1,0,1]=4 13927 B13R1.369 C=CCCSc1ccc(cc1Cl)F 62a_100000733362_100000754431 [0,2,0,0,0,0|1,0,1]=4 13928 B13R1.369 C=CCCSc1ccc(cc1Cl)F 62a_100000754431_100000733362 [0,2,0,0,0,0|1,0,1]=4 13929 B13R1.369 C=CCCSc1ccc(cc1Cl)N 62a_100000754431_100000761885 [0,2,0,0,0,0|1,0,1]=4 13930 B13R1.369 C=CCCSc1ccc(cc1Cl)N 62a_100000761885_100000754431 [0,2,0,0,0,0|1,0,1]=4 13931 B13R1.369 C=CCCSc1ccc(cc1Cl)O 62a_100000047559_100000754431 [0,2,0,0,0,0|1,0,1]=4 13932 B13R1.369 C=CCCSc1ccc(cc1Cl)O 62a_100000754431_100000047559 [0,2,0,0,0,0|1,0,1]=4 13933 B13R1.369 C=CCNCc1ccc(cc1Cl)Br 2230a_100020586998_100011740631 [0,2,0,0,0,0|1,0,1]=4 13934 B13R1.369 C=CCNCc1ccc(cc1Cl)Br 270004a_100020586998_100000764164 [0,2,0,0,0,0|1,0,1]=4 13935 B13R1.369 C=CCNCc1ccc(cc1Cl)Br 34a_100020628970_100015514636 [0,2,0,0,0,0|1,0,1]=4 13936 B13R1.369 C=CCNCc1ccc(cc1Cl)C 2230a_100020586998_100012349684 [0,2,0,0,0,0|1,0,1]=4 13937 B13R1.369 C=CCNCc1ccc(cc1Cl)C 270004a_100020586998_100011935181 [0,2,0,0,0,0|1,0,1]=4 13938 B13R1.369 C=CCNCc1ccc(cc1Cl)C 34a_100011997539_100015514636 [0,2,0,0,0,0|1,0,1]=4 13939 B13R1.369 C=CCNCc1ccc(cc1Cl)Cl 2230a_100020586998_100000188473 [0,2,0,0,0,0|1,0,1]=4 13940 B13R1.369 C=CCNCc1ccc(cc1Cl)Cl 270004a_100020586998_100000188887 [0,2,0,0,0,0|1,0,1]=4 13941 B13R1.369 C=CCNCc1ccc(cc1Cl)Cl 34a_100000174880_100015514636 [0,2,0,0,0,0|1,0,1]=4 13942 B13R1.369 C=CCNCc1ccc(cc1Cl)F 2230a_100020586998_100011216360 [0,2,0,0,0,0|1,0,1]=4 13943 B13R1.369 C=CCNCc1ccc(cc1Cl)F 270004a_100020586998_100000752949 [0,2,0,0,0,0|1,0,1]=4 13944 B13R1.369 C=CCNCc1ccc(cc1Cl)F 34a_100000174946_100015514636 [0,2,0,0,0,0|1,0,1]=4 13945 B13R1.369 C=CCNCc1ccc(cc1Cl)O 34a_200161156549_100015514636 [0,2,0,0,0,0|1,0,1]=4 13946 B13R1.369 C=CCOCc1ccc(cc1Cl)Br 34a_100000756401_100015514636 [0,2,0,0,0,0|1,0,1]=4 13947 B13R1.369 C=CCOCc1ccc(cc1Cl)Br 34a_200000210373_100011740631 [0,2,0,0,0,0|1,0,1]=4 13948 B13R1.369 C=CCOCc1ccc(cc1Cl)Br 7a_100000756401_100015514636 [0,2,0,0,0,0|1,0,1]=4 13949 B13R1.369 C=CCOCc1ccc(cc1Cl)C 34a_100000720314_100015514636 [0,2,0,0,0,0|1,0,1]=4 13950 B13R1.369 C=CCOCc1ccc(cc1Cl)C 34a_200000210373_100012349684 [0,2,0,0,0,0|1,0,1]=4 13951 B13R1.369 C=CCOCc1ccc(cc1Cl)C 7a_100000720314_100015514636 [0,2,0,0,0,0|1,0,1]=4 13952 B13R1.369 C=CCOCc1ccc(cc1Cl)Cl 34a_100000215721_100015514636 [0,2,0,0,0,0|1,0,1]=4 13953 B13R1.369 C=CCOCc1ccc(cc1Cl)Cl 34a_200000210373_100000188473 [0,2,0,0,0,0|1,0,1]=4 13954 B13R1.369 C=CCOCc1ccc(cc1Cl)Cl 7a_100000215721_100015514636 [0,2,0,0,0,0|1,0,1]=4 13955 B13R1.369 C=CCOCc1ccc(cc1Cl)F 34a_100011219954_100015514636 [0,2,0,0,0,0|1,0,1]=4 13956 B13R1.369 C=CCOCc1ccc(cc1Cl)F 34a_200000210373_100011216360 [0,2,0,0,0,0|1,0,1]=4 13957 B13R1.369 C=CCOCc1ccc(cc1Cl)F 7a_100011219954_100015514636 [0,2,0,0,0,0|1,0,1]=4 13958 B13R1.369 C=CCOCc1ccc(cc1Cl)N 34a_100000689119_100015514636 [0,2,0,0,0,0|1,0,1]=4 13959 B13R1.369 C=CCSCc1ccc(cc1Cl)Br 62a_100000210623_100011740631 [0,2,0,0,0,0|1,0,1]=4 13960 B13R1.369 C=CCSCc1ccc(cc1Cl)Br 62a_100011740631_100000210623 [0,2,0,0,0,0|1,0,1]=4 13961 B13R1.369 C=CCSCc1ccc(cc1Cl)C 62a_100000210623_100012349684 [0,2,0,0,0,0|1,0,1]=4 13962 B13R1.369 C=CCSCc1ccc(cc1Cl)C 62a_100012349684_100000210623 [0,2,0,0,0,0|1,0,1]=4 13963 B13R1.369 C=CCSCc1ccc(cc1Cl)Cl 62a_100000188473_100000210623 [0,2,0,0,0,0|1,0,1]=4 13964 B13R1.369 C=CCSCc1ccc(cc1Cl)Cl 62a_100000210623_100000188473 [0,2,0,0,0,0|1,0,1]=4 13965 B13R1.369 C=CCSCc1ccc(cc1Cl)F 62a_100000187853_100000210623 [0,2,0,0,0,0|1,0,1]=4 13966 B13R1.369 C=CCSCc1ccc(cc1Cl)F 62a_100000210623_100000187853 [0,2,0,0,0,0|1,0,1]=4 13967 B13R1.369 CC#CCNc1ccc(cc1Cl)Br 34a_100000211467_100000748600 [0,2,0,0,0,0|1,0,1]=4 13968 B13R1.369 CC#CCNc1ccc(cc1Cl)C 34a_100000210522_100000748600 [0,2,0,0,0,0|1,0,1]=4 13969 B13R1.369 CC#CCNc1ccc(cc1Cl)Cl 34a_100000185861_100000748600 [0,2,0,0,0,0|1,0,1]=4 13970 B13R1.369 CC#CCNc1ccc(cc1Cl)F 34a_100000212003_100000748600 [0,2,0,0,0,0|1,0,1]=4 13971 B13R1.369 CC#CCNc1ccc(cc1Cl)I 34a_100011218065_100000748600 [0,2,0,0,0,0|1,0,1]=4 13972 B13R1.369 CC#CCNc1ccc(cc1Cl)O 34a_100011215599_100000748600 [0,2,0,0,0,0|1,0,1]=4 13973 B13R1.369 CC#CCOc1ccc(cc1Cl)Br 34a_100000186472_100000748600 [0,2,0,0,0,0|1,0,1]=4 13974 B13R1.369 CC#CCOc1ccc(cc1Cl)Br 7a_100000186472_100000748600 [0,2,0,0,0,0|1,0,1]=4 13975 B13R1.369 CC#CCOc1ccc(cc1Cl)C 34a_100000749699_100000748600 [0,2,0,0,0,0|1,0,1]=4 13976 B13R1.369 CC#CCOc1ccc(cc1Cl)C 7a_100000749699_100000748600 [0,2,0,0,0,0|1,0,1]=4 13977 B13R1.369 CC#CCOc1ccc(cc1Cl)Cl 34a_100015191787_100000748600 [0,2,0,0,0,0|1,0,1]=4 13978 B13R1.369 CC#CCOc1ccc(cc1Cl)Cl 7a_100015191787_100000748600 [0,2,0,0,0,0|1,0,1]=4 13979 B13R1.369 CC#CCOc1ccc(cc1Cl)F 34a_100000212004_100000748600 [0,2,0,0,0,0|1,0,1]=4 13980 B13R1.369 CC#CCOc1ccc(cc1Cl)F 7a_100000212004_100000748600 [0,2,0,0,0,0|1,0,1]=4 13981 B13R1.369 CC#CCOc1ccc(cc1Cl)I 34a_100012360047_100000748600 [0,2,0,0,0,0|1,0,1]=4 13982 B13R1.369 CC#CCOc1ccc(cc1Cl)I 7a_100012360047_100000748600 [0,2,0,0,0,0|1,0,1]=4 13983 B13R1.369 CC#CCOc1ccc(cc1Cl)N 34a_100000744943_100000748600 [0,2,0,0,0,0|1,0,1]=4 13984 B13R1.369 CC#CCOc1ccc(cc1Cl)N 7a_100000744943_100000748600 [0,2,0,0,0,0|1,0,1]=4 13985 B13R1.369 CC#CCSc1ccc(cc1Cl)Br 62a_100000748600_100011216062 [0,2,0,0,0,0|1,0,1]=4 13986 B13R1.369 CC#CCSc1ccc(cc1Cl)Br 62a_100011216062_100000748600 [0,2,0,0,0,0|1,0,1]=4 13987 B13R1.369 CC#CCSc1ccc(cc1Cl)C 62a_100000748600_100011263221 [0,2,0,0,0,0|1,0,1]=4 13988 B13R1.369 CC#CCSc1ccc(cc1Cl)C 62a_100011263221_100000748600 [0,2,0,0,0,0|1,0,1]=4 13989 B13R1.369 CC#CCSc1ccc(cc1Cl)Cl 62a_100000699841_100000748600 [0,2,0,0,0,0|1,0,1]=4 13990 B13R1.369 CC#CCSc1ccc(cc1Cl)Cl 62a_100000748600_100000699841 [0,2,0,0,0,0|1,0,1]=4 13991 B13R1.369 CC#CCSc1ccc(cc1Cl)F 62a_100000733362_100000748600 [0,2,0,0,0,0|1,0,1]=4 13992 B13R1.369 CC#CCSc1ccc(cc1Cl)F 62a_100000748600_100000733362 [0,2,0,0,0,0|1,0,1]=4 13993 B13R1.369 CC#CCSc1ccc(cc1Cl)N 62a_100000748600_100000761885 [0,2,0,0,0,0|1,0,1]=4 13994 B13R1.369 CC#CCSc1ccc(cc1Cl)N 62a_100000761885_100000748600 [0,2,0,0,0,0|1,0,1]=4 13995 B13R1.369 CC#CCSc1ccc(cc1Cl)O 62a_100000047559_100000748600 [0,2,0,0,0,0|1,0,1]=4 13996 B13R1.369 CC#CCSc1ccc(cc1Cl)O 62a_100000748600_100000047559 [0,2,0,0,0,0|1,0,1]=4 13997 B13R1.369 CC=CCNc1ccc(cc1Cl)Br 34a_100000211467_100000070051 [0,2,0,0,0,0|1,0,1]=4 13998 B13R1.369 CC=CCNc1ccc(cc1Cl)C 34a_100000210522_100000070051 [0,2,0,0,0,0|1,0,1]=4 13999 B13R1.369 CC=CCNc1ccc(cc1Cl)Cl 34a_100000185861_100000070051 [0,2,0,0,0,0|1,0,1]=4 14000 B13R1.369 CC=CCNc1ccc(cc1Cl)F 34a_100000212003_100000070051 [0,2,0,0,0,0|1,0,1]=4 14001 B13R1.369 CC=CCNc1ccc(cc1Cl)I 34a_100011218065_100000070051 [0,2,0,0,0,0|1,0,1]=4 14002 B13R1.369 CC=CCNc1ccc(cc1Cl)O 34a_100011215599_100000070051 [0,2,0,0,0,0|1,0,1]=4 14003 B13R1.369 CC=CCOc1ccc(cc1Cl)Br 34a_100000186472_100000070051 [0,2,0,0,0,0|1,0,1]=4 14004 B13R1.369 CC=CCOc1ccc(cc1Cl)Br 7a_100000186472_100000070051 [0,2,0,0,0,0|1,0,1]=4 14005 B13R1.369 CC=CCOc1ccc(cc1Cl)C 34a_100000749699_100000070051 [0,2,0,0,0,0|1,0,1]=4 14006 B13R1.369 CC=CCOc1ccc(cc1Cl)C 7a_100000749699_100000070051 [0,2,0,0,0,0|1,0,1]=4 14007 B13R1.369 CC=CCOc1ccc(cc1Cl)Cl 34a_100015191787_100000070051 [0,2,0,0,0,0|1,0,1]=4 14008 B13R1.369 CC=CCOc1ccc(cc1Cl)Cl 7a_100015191787_100000070051 [0,2,0,0,0,0|1,0,1]=4 14009 B13R1.369 CC=CCOc1ccc(cc1Cl)F 34a_100000212004_100000070051 [0,2,0,0,0,0|1,0,1]=4 14010 B13R1.369 CC=CCOc1ccc(cc1Cl)F 7a_100000212004_100000070051 [0,2,0,0,0,0|1,0,1]=4 14011 B13R1.369 CC=CCOc1ccc(cc1Cl)I 34a_100012360047_100000070051 [0,2,0,0,0,0|1,0,1]=4 14012 B13R1.369 CC=CCOc1ccc(cc1Cl)I 7a_100012360047_100000070051 [0,2,0,0,0,0|1,0,1]=4 14013 B13R1.369 CC=CCOc1ccc(cc1Cl)N 34a_100000744943_100000070051 [0,2,0,0,0,0|1,0,1]=4 14014 B13R1.369 CC=CCOc1ccc(cc1Cl)N 7a_100000744943_100000070051 [0,2,0,0,0,0|1,0,1]=4 14015 B13R1.369 CC=CCSc1ccc(cc1Cl)Br 62a_100000070051_100011216062 [0,2,0,0,0,0|1,0,1]=4 14016 B13R1.369 CC=CCSc1ccc(cc1Cl)Br 62a_100011216062_100000070051 [0,2,0,0,0,0|1,0,1]=4 14017 B13R1.369 CC=CCSc1ccc(cc1Cl)C 62a_100000070051_100011263221 [0,2,0,0,0,0|1,0,1]=4 14018 B13R1.369 CC=CCSc1ccc(cc1Cl)C 62a_100011263221_100000070051 [0,2,0,0,0,0|1,0,1]=4 14019 B13R1.369 CC=CCSc1ccc(cc1Cl)Cl 62a_100000070051_100000699841 [0,2,0,0,0,0|1,0,1]=4 14020 B13R1.369 CC=CCSc1ccc(cc1Cl)Cl 62a_100000699841_100000070051 [0,2,0,0,0,0|1,0,1]=4 14021 B13R1.369 CC=CCSc1ccc(cc1Cl)F 62a_100000070051_100000733362 [0,2,0,0,0,0|1,0,1]=4 14022 B13R1.369 CC=CCSc1ccc(cc1Cl)F 62a_100000733362_100000070051 [0,2,0,0,0,0|1,0,1]=4 14023 B13R1.369 CC=CCSc1ccc(cc1Cl)N 62a_100000070051_100000761885 [0,2,0,0,0,0|1,0,1]=4 14024 B13R1.369 CC=CCSc1ccc(cc1Cl)N 62a_100000761885_100000070051 [0,2,0,0,0,0|1,0,1]=4 14025 B13R1.369 CC=CCSc1ccc(cc1Cl)O 62a_100000047559_100000070051 [0,2,0,0,0,0|1,0,1]=4 14026 B13R1.369 CC=CCSc1ccc(cc1Cl)O 62a_100000070051_100000047559 [0,2,0,0,0,0|1,0,1]=4 14027 B13R1.369 CC=NNCc1ccc(cc1Cl)Cl 4a_100000738016_200000210099 [0,2,0,0,0,0|1,0,1]=4 14028 B13R1.369 CC=NNCc1ccc(cc1Cl)F 4a_100025702793_200000210099 [0,2,0,0,0,0|1,0,1]=4 14029 B13R1.369 CCCC=Cc1ccc(cc1Cl)Br 271570a_100016258520_100011216062 [0,2,0,0,0,0|1,0,1]=4 14030 B13R1.369 CCCC=Cc1ccc(cc1Cl)C 271570a_100016258520_100011263221 [0,2,0,0,0,0|1,0,1]=4 14031 B13R1.369 CCCC=Cc1ccc(cc1Cl)Cl 271570a_100016258520_100000699841 [0,2,0,0,0,0|1,0,1]=4 14032 B13R1.369 CCCC=Cc1ccc(cc1Cl)F 271570a_100016258520_100000733362 [0,2,0,0,0,0|1,0,1]=4 14033 B13R1.369 CCCC=Cc1ccc(cc1Cl)N 271570a_100016258520_100000761885 [0,2,0,0,0,0|1,0,1]=4 14034 B13R1.369 CCCC=Cc1ccc(cc1Cl)O 271570a_100016258520_100000047559 [0,2,0,0,0,0|1,0,1]=4 14035 B13R1.369 CCCCNc1ccc(cc1Br)Br 34a_100000211012_100000210210 [0,2,0,0,0,0|1,1,0]=4 14036 B13R1.369 CCCCNc1ccc(cc1Br)C 34a_100000210942_100000210210 [0,2,0,0,0,0|1,1,0]=4 14037 B13R1.369 CCCCNc1ccc(cc1Br)Cl 34a_100000752454_100000210210 [0,2,0,0,0,0|1,1,0]=4 14038 B13R1.369 CCCCNc1ccc(cc1Br)F 34a_100000738039_100000210210 [0,2,0,0,0,0|1,1,0]=4 14039 B13R1.369 CCCCNc1ccc(cc1Br)O 34a_100012001276_100000210210 [0,2,0,0,0,0|1,1,0]=4 14040 B13R1.369 CCCCNc1ccc(cc1C)Br 34a_100000211769_100000210210 [0,2,0,0,0,0|2,0,0]=4 14041 B13R1.369 CCCCNc1ccc(cc1C)Br 7a_100000211769_100000210211 [0,2,0,0,0,0|2,0,0]=4 14042 B13R1.369 CCCCNc1ccc(cc1C)C 34a_100000736561_100000210210 [0,2,0,0,0,0|2,0,0]=4 14043 B13R1.369 CCCCNc1ccc(cc1C)C 7a_100000736561_100000210211 [0,2,0,0,0,0|2,0,0]=4 14044 B13R1.369 CCCCNc1ccc(cc1C)Cl 34a_100000210418_100000210210 [0,2,0,0,0,0|2,0,0]=4 14045 B13R1.369 CCCCNc1ccc(cc1C)Cl 7a_100000210418_100000210211 [0,2,0,0,0,0|2,0,0]=4 14046 B13R1.369 CCCCNc1ccc(cc1C)F 34a_100000211637_100000210210 [0,2,0,0,0,0|2,0,0]=4 14047 B13R1.369 CCCCNc1ccc(cc1C)F 7a_100000211637_100000210211 [0,2,0,0,0,0|2,0,0]=4 14048 B13R1.369 CCCCNc1ccc(cc1C)I 34a_100000184554_100000210210 [0,2,0,0,0,0|2,0,0]=4 14049 B13R1.369 CCCCNc1ccc(cc1C)I 7a_100000184554_100000210211 [0,2,0,0,0,0|2,0,0]=4 14050 B13R1.369 CCCCNc1ccc(cc1C)O 34a_100000756630_100000210210 [0,2,0,0,0,0|2,0,0]=4 14051 B13R1.369 CCCCNc1ccc(cc1Cl)Br 34a_100000211467_100000210210 [0,2,0,0,0,0|1,0,0]=3 14052 B13R1.369 CCCCNc1ccc(cc1Cl)C 34a_100000210522_100000210210 [0,2,0,0,0,0|1,0,0]=3 14053 B13R1.369 CCCCNc1ccc(cc1Cl)Cl 34a_100000185861_100000210210 [0,2,0,0,0,0|1,0,0]=3 14054 B13R1.369 CCCCNc1ccc(cc1Cl)F 34a_100000212003_100000210210 [0,2,0,0,0,0|1,0,0]=3 14055 B13R1.369 CCCCNc1ccc(cc1Cl)I 34a_100011218065_100000210210 [0,2,0,0,0,0|1,0,0]=3 14056 B13R1.369 CCCCNc1ccc(cc1Cl)O 34a_100011215599_100000210210 [0,2,0,0,0,0|1,0,0]=3 14057 B13R1.369 CCCCNc1ccc(cc1F)Br 34a_100000210722_100000210210 [0,2,0,0,0,0|1,1,0]=4 14058 B13R1.369 CCCCNc1ccc(cc1F)C 34a_100000211023_100000210210 [0,2,0,0,0,0|1,1,0]=4 14059 B13R1.369 CCCCNc1ccc(cc1F)Cl 34a_100000211020_100000210210 [0,2,0,0,0,0|1,1,0]=4 14060 B13R1.369 CCCCNc1ccc(cc1F)F 34a_100000210720_100000210210 [0,2,0,0,0,0|1,1,0]=4 14061 B13R1.369 CCCCNc1ccc(cc1F)I 34a_100011215594_100000210210 [0,2,0,0,0,0|1,1,0]=4 14062 B13R1.369 CCCCNc1ccc(cc1F)O 34a_100000759473_100000210210 [0,2,0,0,0,0|1,1,0]=4 14063 B13R1.369 CCCCNc1ccc(cc1I)Br 34a_100000187925_100000210210 [0,2,0,0,0,0|1,1,0]=4 14064 B13R1.369 CCCCNc1ccc(cc1I)C 34a_100011356834_100000210210 [0,2,0,0,0,0|1,1,0]=4 14065 B13R1.369 CCCCNc1ccc(cc1I)Cl 34a_100000761889_100000210210 [0,2,0,0,0,0|1,1,0]=4 14066 B13R1.369 CCCCNc1ccc(cc1I)F 34a_100000760547_100000210210 [0,2,0,0,0,0|1,1,0]=4 14067 B13R1.369 CCCCNc1ccc(cc1I)O 34a_100010084370_100000210210 [0,2,0,0,0,0|1,1,0]=4 14068 B13R1.369 CCCCNc1ccc(cc1O)Br 34a_100000739049_100000210210 [0,2,0,0,0,0|2,0,0]=4 14069 B13R1.369 CCCCNc1ccc(cc1O)C 34a_100000211527_100000210210 [0,2,0,0,0,0|2,0,0]=4 14070 B13R1.369 CCCCNc1ccc(cc1O)Cl 34a_100000185728_100000210210 [0,2,0,0,0,0|2,0,0]=4 14071 B13R1.369 CCCCNc1ccc(cc1O)F 34a_100000753323_100000210210 [0,2,0,0,0,0|2,0,0]=4 14072 B13R1.369 CCCCNc1ccc(cc1O)O 34a_100000106777_100000210210 [0,2,0,0,0,0|2,0,0]=4 14073 B13R1.369 CCCCOc1ccc(cc1Br)Br 34a_100000188717_100000210210 [0,2,0,0,0,0|1,1,0]=4 14074 B13R1.369 CCCCOc1ccc(cc1Br)Br 7a_100000188717_100000210211 [0,2,0,0,0,0|1,1,0]=4 14075 B13R1.369 CCCCOc1ccc(cc1Br)C 34a_100000210800_100000210210 [0,2,0,0,0,0|1,1,0]=4 14076 B13R1.369 CCCCOc1ccc(cc1Br)C 7a_100000210800_100000210211 [0,2,0,0,0,0|1,1,0]=4 14077 B13R1.369 CCCCOc1ccc(cc1Br)Cl 34a_100000211998_100000210210 [0,2,0,0,0,0|1,1,0]=4 14078 B13R1.369 CCCCOc1ccc(cc1Br)Cl 7a_100000211998_100000210211 [0,2,0,0,0,0|1,1,0]=4 14079 B13R1.369 CCCCOc1ccc(cc1Br)F 34a_100000211999_100000210210 [0,2,0,0,0,0|1,1,0]=4 14080 B13R1.369 CCCCOc1ccc(cc1Br)F 7a_100000211999_100000210211 [0,2,0,0,0,0|1,1,0]=4 14081 B13R1.369 CCCCOc1ccc(cc1Br)I 34a_100012361655_100000210210 [0,2,0,0,0,0|1,1,0]=4 14082 B13R1.369 CCCCOc1ccc(cc1Br)I 7a_100012361655_100000210211 [0,2,0,0,0,0|1,1,0]=4 14083 B13R1.369 CCCCOc1ccc(cc1Br)N 34a_100011534360_100000210210 [0,2,0,0,0,0|1,1,0]=4 14084 B13R1.369 CCCCOc1ccc(cc1Br)N 7a_100011534360_100000210211 [0,2,0,0,0,0|1,1,0]=4 14085 B13R1.369 CCCCOc1ccc(cc1C)Br 34a_100000186361_100000210210 [0,2,0,0,0,0|2,0,0]=4 14086 B13R1.369 CCCCOc1ccc(cc1C)Br 7a_100000186361_100000210211 [0,2,0,0,0,0|2,0,0]=4 14087 B13R1.369 CCCCOc1ccc(cc1C)C 34a_100000211776_100000210210 [0,2,0,0,0,0|2,0,0]=4 14088 B13R1.369 CCCCOc1ccc(cc1C)C 7a_100000211776_100000210211 [0,2,0,0,0,0|2,0,0]=4 14089 B13R1.369 CCCCOc1ccc(cc1C)Cl 34a_100000211091_100000210210 [0,2,0,0,0,0|2,0,0]=4 14090 B13R1.369 CCCCOc1ccc(cc1C)Cl 7a_100000211091_100000210211 [0,2,0,0,0,0|2,0,0]=4 14091 B13R1.369 CCCCOc1ccc(cc1C)F 34a_100000764316_100000210210 [0,2,0,0,0,0|2,0,0]=4 14092 B13R1.369 CCCCOc1ccc(cc1C)F 7a_100000764316_100000210211 [0,2,0,0,0,0|2,0,0]=4 14093 B13R1.369 CCCCOc1ccc(cc1C)I 34a_100011218673_100000210210 [0,2,0,0,0,0|2,0,0]=4 14094 B13R1.369 CCCCOc1ccc(cc1C)I 7a_100011218673_100000210211 [0,2,0,0,0,0|2,0,0]=4 14095 B13R1.369 CCCCOc1ccc(cc1C)N 34a_100011218179_100000210210 [0,2,0,0,0,0|2,0,0]=4 14096 B13R1.369 CCCCOc1ccc(cc1C)N 7a_100011218179_100000210211 [0,2,0,0,0,0|2,0,0]=4 14097 B13R1.369 CCCCOc1ccc(cc1Cl)Br 34a_100000186472_100000210210 [0,2,0,0,0,0|1,0,0]=3 14098 B13R1.369 CCCCOc1ccc(cc1Cl)Br 7a_100000186472_100000210211 [0,2,0,0,0,0|1,0,0]=3 14099 B13R1.369 CCCCOc1ccc(cc1Cl)C 34a_100000749699_100000210210 [0,2,0,0,0,0|1,0,0]=3 14100 B13R1.369 CCCCOc1ccc(cc1Cl)C 7a_100000749699_100000210211 [0,2,0,0,0,0|1,0,0]=3 14101 B13R1.369 CCCCOc1ccc(cc1Cl)Cl 34a_100015191787_100000210210 [0,2,0,0,0,0|1,0,0]=3 14102 B13R1.369 CCCCOc1ccc(cc1Cl)Cl 7a_100015191787_100000210211 [0,2,0,0,0,0|1,0,0]=3 14103 B13R1.369 CCCCOc1ccc(cc1Cl)F 34a_100000212004_100000210210 [0,2,0,0,0,0|1,0,0]=3 14104 B13R1.369 CCCCOc1ccc(cc1Cl)F 7a_100000212004_100000210211 [0,2,0,0,0,0|1,0,0]=3 14105 B13R1.369 CCCCOc1ccc(cc1Cl)I 34a_100012360047_100000210210 [0,2,0,0,0,0|1,0,0]=3 14106 B13R1.369 CCCCOc1ccc(cc1Cl)I 7a_100012360047_100000210211 [0,2,0,0,0,0|1,0,0]=3 14107 B13R1.369 CCCCOc1ccc(cc1Cl)N 34a_100000744943_100000210210 [0,2,0,0,0,0|1,0,0]=3 14108 B13R1.369 CCCCOc1ccc(cc1Cl)N 7a_100000744943_100000210211 [0,2,0,0,0,0|1,0,0]=3 14109 B13R1.369 CCCCOc1ccc(cc1F)Br 34a_100000185481_100000210210 [0,2,0,0,0,0|1,1,0]=4 14110 B13R1.369 CCCCOc1ccc(cc1F)Br 7a_100000185481_100000210211 [0,2,0,0,0,0|1,1,0]=4 14111 B13R1.369 CCCCOc1ccc(cc1F)C 34a_100011216688_100000210210 [0,2,0,0,0,0|1,1,0]=4 14112 B13R1.369 CCCCOc1ccc(cc1F)C 7a_100011216688_100000210211 [0,2,0,0,0,0|1,1,0]=4 14113 B13R1.369 CCCCOc1ccc(cc1F)Cl 34a_100000230166_100000210210 [0,2,0,0,0,0|1,1,0]=4 14114 B13R1.369 CCCCOc1ccc(cc1F)Cl 7a_100000230166_100000210211 [0,2,0,0,0,0|1,1,0]=4 14115 B13R1.369 CCCCOc1ccc(cc1F)F 34a_100000230127_100000210210 [0,2,0,0,0,0|1,1,0]=4 14116 B13R1.369 CCCCOc1ccc(cc1F)F 7a_100000230127_100000210211 [0,2,0,0,0,0|1,1,0]=4 14117 B13R1.369 CCCCOc1ccc(cc1F)I 34a_100011356965_100000210210 [0,2,0,0,0,0|1,1,0]=4 14118 B13R1.369 CCCCOc1ccc(cc1F)I 7a_100011356965_100000210211 [0,2,0,0,0,0|1,1,0]=4 14119 B13R1.369 CCCCOc1ccc(cc1F)N 34a_100011220035_100000210210 [0,2,0,0,0,0|1,1,0]=4 14120 B13R1.369 CCCCOc1ccc(cc1F)N 7a_100011220035_100000210211 [0,2,0,0,0,0|1,1,0]=4 14121 B13R1.369 CCCCOc1ccc(cc1I)Br 34a_100012355227_100000210210 [0,2,0,0,0,0|1,1,0]=4 14122 B13R1.369 CCCCOc1ccc(cc1I)Br 7a_100012355227_100000210211 [0,2,0,0,0,0|1,1,0]=4 14123 B13R1.369 CCCCOc1ccc(cc1I)C 34a_100000765521_100000210210 [0,2,0,0,0,0|1,1,0]=4 14124 B13R1.369 CCCCOc1ccc(cc1I)C 7a_100000765521_100000210211 [0,2,0,0,0,0|1,1,0]=4 14125 B13R1.369 CCCCOc1ccc(cc1I)Cl 34a_100011356953_100000210210 [0,2,0,0,0,0|1,1,0]=4 14126 B13R1.369 CCCCOc1ccc(cc1I)Cl 7a_100011356953_100000210211 [0,2,0,0,0,0|1,1,0]=4 14127 B13R1.369 CCCCOc1ccc(cc1I)F 34a_100012355409_100000210210 [0,2,0,0,0,0|1,1,0]=4 14128 B13R1.369 CCCCOc1ccc(cc1I)F 7a_100012355409_100000210211 [0,2,0,0,0,0|1,1,0]=4 14129 B13R1.369 CCCCOc1ccc(cc1I)I 7a_100010001573_100000210211 [0,2,0,0,0,0|1,1,0]=4 14130 B13R1.369 CCCCOc1ccc(cc1N)Br 34a_100000752626_100000210210 [0,2,0,0,0,0|2,0,0]=4 14131 B13R1.369 CCCCOc1ccc(cc1N)Br 7a_100000752626_100000210211 [0,2,0,0,0,0|2,0,0]=4 14132 B13R1.369 CCCCOc1ccc(cc1N)C 34a_100011215204_100000210210 [0,2,0,0,0,0|2,0,0]=4 14133 B13R1.369 CCCCOc1ccc(cc1N)C 7a_100011215204_100000210211 [0,2,0,0,0,0|2,0,0]=4 14134 B13R1.369 CCCCOc1ccc(cc1N)Cl 34a_100000210500_100000210210 [0,2,0,0,0,0|2,0,0]=4 14135 B13R1.369 CCCCOc1ccc(cc1N)Cl 7a_100000210500_100000210211 [0,2,0,0,0,0|2,0,0]=4 14136 B13R1.369 CCCCOc1ccc(cc1N)F 34a_100000759472_100000210210 [0,2,0,0,0,0|2,0,0]=4 14137 B13R1.369 CCCCOc1ccc(cc1N)F 7a_100000759472_100000210211 [0,2,0,0,0,0|2,0,0]=4 14138 B13R1.369 CCCCOc1ccc(cc1N)I 34a_100000753495_100000210210 [0,2,0,0,0,0|2,0,0]=4 14139 B13R1.369 CCCCOc1ccc(cc1N)I 7a_100000753495_100000210211 [0,2,0,0,0,0|2,0,0]=4 14140 B13R1.369 CCCCOc1ccc(cc1N)N 34a_100000725306_100000210210 [0,2,0,0,0,0|2,0,0]=4 14141 B13R1.369 CCCCOc1ccc(cc1O)F 271570a_203496583355_200000205391 [0,2,0,0,0,0|2,0,0]=4 14142 B13R1.369 CCCCOc1ccc(nc1Cl)Br 34a_100010246206_100000210210 [0,2,0,0,0,0|2,0,0]=4 14143 B13R1.369 CCCCOc1ccc(nc1Cl)Br 7a_100010246206_100000210211 [0,2,0,0,0,0|2,0,0]=4 14144 B13R1.369 CCCCOc1ccc(nc1Cl)C 34a_100000086286_100000210210 [0,2,0,0,0,0|2,0,0]=4 14145 B13R1.369 CCCCOc1ccc(nc1Cl)C 7a_100000086286_100000210211 [0,2,0,0,0,0|2,0,0]=4 14146 B13R1.369 CCCCOc1ccc(nc1Cl)Cl 34a_100000101165_100000210210 [0,2,0,0,0,0|2,0,0]=4 14147 B13R1.369 CCCCOc1ccc(nc1Cl)Cl 7a_100000101165_100000210211 [0,2,0,0,0,0|2,0,0]=4 14148 B13R1.369 CCCCOc1ccc(nc1Cl)I 34a_100000721234_100000210210 [0,2,0,0,0,0|2,0,0]=4 14149 B13R1.369 CCCCOc1ccc(nc1Cl)I 7a_100000721234_100000210211 [0,2,0,0,0,0|2,0,0]=4 14150 B13R1.369 CCCCOc1cnc(cc1Cl)Cl 34a_100009868576_100000210210 [0,2,0,0,0,0|2,0,0]=4 14151 B13R1.369 CCCCOc1cnc(cc1Cl)Cl 7a_100009868576_100000210211 [0,2,0,0,0,0|2,0,0]=4 14152 B13R1.369 CCCCOc1ncc(cc1Cl)Br 34a_100012339560_100000210210 [0,2,0,0,0,0|2,0,0]=4 14153 B13R1.369 CCCCOc1ncc(cc1Cl)F 34a_100009847679_100000210210 [0,2,0,0,0,0|2,0,0]=4 14154 B13R1.369 CCCCSc1ccc(cc1Br)Br 62a_100000210211_100011484698 [0,2,0,0,0,0|1,1,0]=4 14155 B13R1.369 CCCCSc1ccc(cc1Br)Br 62a_100011484698_100000210210 [0,2,0,0,0,0|1,1,0]=4 14156 B13R1.369 CCCCSc1ccc(cc1Br)C 62a_100000210211_100009813563 [0,2,0,0,0,0|1,1,0]=4 14157 B13R1.369 CCCCSc1ccc(cc1Br)C 62a_100009813563_100000210210 [0,2,0,0,0,0|1,1,0]=4 14158 B13R1.369 CCCCSc1ccc(cc1Br)Cl 62a_100000210211_100011219703 [0,2,0,0,0,0|1,1,0]=4 14159 B13R1.369 CCCCSc1ccc(cc1Br)Cl 62a_100011219703_100000210210 [0,2,0,0,0,0|1,1,0]=4 14160 B13R1.369 CCCCSc1ccc(cc1Br)F 62a_100000210211_100011217111 [0,2,0,0,0,0|1,1,0]=4 14161 B13R1.369 CCCCSc1ccc(cc1Br)F 62a_100011217111_100000210210 [0,2,0,0,0,0|1,1,0]=4 14162 B13R1.369 CCCCSc1ccc(cc1Br)N 62a_100000210211_100000750458 [0,2,0,0,0,0|1,1,0]=4 14163 B13R1.369 CCCCSc1ccc(cc1Br)N 62a_100000750458_100000210210 [0,2,0,0,0,0|1,1,0]=4 14164 B13R1.369 CCCCSc1ccc(cc1Br)O 62a_100000210211_100000701344 [0,2,0,0,0,0|1,1,0]=4 14165 B13R1.369 CCCCSc1ccc(cc1Br)O 62a_100000701344_100000210210 [0,2,0,0,0,0|1,1,0]=4 14166 B13R1.369 CCCCSc1ccc(cc1C)Br 62a_100000210211_100000701812 [0,2,0,0,0,0|2,0,0]=4 14167 B13R1.369 CCCCSc1ccc(cc1C)Br 62a_100000701812_100000210210 [0,2,0,0,0,0|2,0,0]=4 14168 B13R1.369 CCCCSc1ccc(cc1C)C 62a_100000210211_100011217332 [0,2,0,0,0,0|2,0,0]=4 14169 B13R1.369 CCCCSc1ccc(cc1C)C 62a_100011217332_100000210210 [0,2,0,0,0,0|2,0,0]=4 14170 B13R1.369 CCCCSc1ccc(cc1C)Cl 62a_100000210211_100011219607 [0,2,0,0,0,0|2,0,0]=4 14171 B13R1.369 CCCCSc1ccc(cc1C)Cl 62a_100011219607_100000210210 [0,2,0,0,0,0|2,0,0]=4 14172 B13R1.369 CCCCSc1ccc(cc1C)F 62a_100000210211_100011205405 [0,2,0,0,0,0|2,0,0]=4 14173 B13R1.369 CCCCSc1ccc(cc1C)F 62a_100011205405_100000210210 [0,2,0,0,0,0|2,0,0]=4 14174 B13R1.369 CCCCSc1ccc(cc1C)N 62a_100000210211_100000210723 [0,2,0,0,0,0|2,0,0]=4 14175 B13R1.369 CCCCSc1ccc(cc1C)N 62a_100000210723_100000210210 [0,2,0,0,0,0|2,0,0]=4 14176 B13R1.369 CCCCSc1ccc(cc1C)O 62a_100000210211_100000690111 [0,2,0,0,0,0|2,0,0]=4 14177 B13R1.369 CCCCSc1ccc(cc1Cl)Br 62a_100000210211_100011216062 [0,2,0,0,0,0|1,0,0]=3 14178 B13R1.369 CCCCSc1ccc(cc1Cl)Br 62a_100011216062_100000210210 [0,2,0,0,0,0|1,0,0]=3 14179 B13R1.369 CCCCSc1ccc(cc1Cl)C 62a_100000210211_100011263221 [0,2,0,0,0,0|1,0,0]=3 14180 B13R1.369 CCCCSc1ccc(cc1Cl)C 62a_100011263221_100000210210 [0,2,0,0,0,0|1,0,0]=3 14181 B13R1.369 CCCCSc1ccc(cc1Cl)Cl 62a_100000210211_100000699841 [0,2,0,0,0,0|1,0,0]=3 14182 B13R1.369 CCCCSc1ccc(cc1Cl)Cl 62a_100000699841_100000210210 [0,2,0,0,0,0|1,0,0]=3 14183 B13R1.369 CCCCSc1ccc(cc1Cl)F 62a_100000210211_100000733362 [0,2,0,0,0,0|1,0,0]=3 14184 B13R1.369 CCCCSc1ccc(cc1Cl)F 62a_100000733362_100000210210 [0,2,0,0,0,0|1,0,0]=3 14185 B13R1.369 CCCCSc1ccc(cc1Cl)N 62a_100000210211_100000761885 [0,2,0,0,0,0|1,0,0]=3 14186 B13R1.369 CCCCSc1ccc(cc1Cl)N 62a_100000761885_100000210210 [0,2,0,0,0,0|1,0,0]=3 14187 B13R1.369 CCCCSc1ccc(cc1Cl)O 62a_100000047559_100000210210 [0,2,0,0,0,0|1,0,0]=3 14188 B13R1.369 CCCCSc1ccc(cc1Cl)O 62a_100000210211_100000047559 [0,2,0,0,0,0|1,0,0]=3 14189 B13R1.369 CCCCSc1ccc(cc1F)Br 62a_100000210211_100009814013 [0,2,0,0,0,0|1,1,0]=4 14190 B13R1.369 CCCCSc1ccc(cc1F)Br 62a_100009814013_100000210210 [0,2,0,0,0,0|1,1,0]=4 14191 B13R1.369 CCCCSc1ccc(cc1F)C 62a_100000210211_100011216119 [0,2,0,0,0,0|1,1,0]=4 14192 B13R1.369 CCCCSc1ccc(cc1F)C 62a_100011216119_100000210210 [0,2,0,0,0,0|1,1,0]=4 14193 B13R1.369 CCCCSc1ccc(cc1F)Cl 62a_100000210211_100011216042 [0,2,0,0,0,0|1,1,0]=4 14194 B13R1.369 CCCCSc1ccc(cc1F)Cl 62a_100011216042_100000210210 [0,2,0,0,0,0|1,1,0]=4 14195 B13R1.369 CCCCSc1ccc(cc1F)F 62a_100000210211_100000750030 [0,2,0,0,0,0|1,1,0]=4 14196 B13R1.369 CCCCSc1ccc(cc1F)F 62a_100000750030_100000210210 [0,2,0,0,0,0|1,1,0]=4 14197 B13R1.369 CCCCSc1ccc(cc1F)N 62a_100000210211_100011356925 [0,2,0,0,0,0|1,1,0]=4 14198 B13R1.369 CCCCSc1ccc(cc1F)N 62a_100011356925_100000210210 [0,2,0,0,0,0|1,1,0]=4 14199 B13R1.369 CCCCSc1ccc(cc1F)O 62a_100000210211_100000755031 [0,2,0,0,0,0|1,1,0]=4 14200 B13R1.369 CCCCSc1ccc(cc1F)O 62a_100000755031_100000210210 [0,2,0,0,0,0|1,1,0]=4 14201 B13R1.369 CCCCSc1ccc(cc1N)Br 62a_100000210211_100000743836 [0,2,0,0,0,0|2,0,0]=4 14202 B13R1.369 CCCCSc1ccc(cc1N)Br 62a_100000743836_100000210210 [0,2,0,0,0,0|2,0,0]=4 14203 B13R1.369 CCCCSc1ccc(cc1N)C 62a_100000210211_100011216686 [0,2,0,0,0,0|2,0,0]=4 14204 B13R1.369 CCCCSc1ccc(cc1N)C 62a_100011216686_100000210210 [0,2,0,0,0,0|2,0,0]=4 14205 B13R1.369 CCCCSc1ccc(cc1N)Cl 62a_100000210211_100000761886 [0,2,0,0,0,0|2,0,0]=4 14206 B13R1.369 CCCCSc1ccc(cc1N)Cl 62a_100000761886_100000210210 [0,2,0,0,0,0|2,0,0]=4 14207 B13R1.369 CCCCSc1ccc(cc1N)F 62a_100000210211_100000687223 [0,2,0,0,0,0|2,0,0]=4 14208 B13R1.369 CCCCSc1ccc(cc1N)F 62a_100000687223_100000210210 [0,2,0,0,0,0|2,0,0]=4 14209 B13R1.369 CCCCSc1ccc(cc1N)N 62a_100000210211_200012175722 [0,2,0,0,0,0|2,0,0]=4 14210 B13R1.369 CCCCSc1ccc(cc1N)N 62a_200012175722_100000210210 [0,2,0,0,0,0|2,0,0]=4 14211 B13R1.369 CCCCSc1ccc(cc1N)O 62a_100000210211_100011999798 [0,2,0,0,0,0|2,0,0]=4 14212 B13R1.369 CCCCSc1ccc(cc1N)O 62a_100011999798_100000210210 [0,2,0,0,0,0|2,0,0]=4 14213 B13R1.369 CCCCSc1ccc(cc1O)Br 62a_100000210211_100012344904 [0,2,0,0,0,0|2,0,0]=4 14214 B13R1.369 CCCCSc1ccc(cc1O)Br 62a_100012344904_100000210210 [0,2,0,0,0,0|2,0,0]=4 14215 B13R1.369 CCCCSc1ccc(cc1O)C 62a_100000210211_100012002257 [0,2,0,0,0,0|2,0,0]=4 14216 B13R1.369 CCCCSc1ccc(cc1O)C 62a_100012002257_100000210210 [0,2,0,0,0,0|2,0,0]=4 14217 B13R1.369 CCCCSc1ccc(cc1O)Cl 62a_100000050036_100000210210 [0,2,0,0,0,0|2,0,0]=4 14218 B13R1.369 CCCCSc1ccc(cc1O)Cl 62a_100000210211_100000050036 [0,2,0,0,0,0|2,0,0]=4 14219 B13R1.369 CCCCSc1ccc(cc1O)F 62a_100000210211_100000690578 [0,2,0,0,0,0|2,0,0]=4 14220 B13R1.369 CCCCSc1ccc(cc1O)F 62a_100000690578_100000210210 [0,2,0,0,0,0|2,0,0]=4 14221 B13R1.369 CCCCSc1ccc(cc1O)O 62a_100000210211_100009813921 [0,2,0,0,0,0|2,0,0]=4 14222 B13R1.369 CCCCSc1ccc(nc1Cl)Br 62a_100000210211_100010246183 [0,2,0,0,0,0|2,0,0]=4 14223 B13R1.369 CCCCSc1ccc(nc1Cl)Br 62a_100010246183_100000210210 [0,2,0,0,0,0|2,0,0]=4 14224 B13R1.369 CCCCSc1ccc(nc1Cl)Cl 62a_100000210211_100000043682 [0,2,0,0,0,0|2,0,0]=4 14225 B13R1.369 CCCCSc1ccc(nc1Cl)N 62a_100000210211_100010270343 [0,2,0,0,0,0|2,0,0]=4 14226 B13R1.369 CCCCSc1ccc(nc1Cl)N 62a_100010270343_100000210210 [0,2,0,0,0,0|2,0,0]=4 14227 B13R1.369 CCCCSc1cnc(cc1Cl)Br 62a_100000210211_100010381092 [0,2,0,0,0,0|2,0,0]=4 14228 B13R1.369 CCCCSc1cnc(cc1Cl)Br 62a_100010381092_100000210210 [0,2,0,0,0,0|2,0,0]=4 14229 B13R1.369 CCCCSc1cnc(cc1Cl)Cl 62a_100000210211_100010200927 [0,2,0,0,0,0|2,0,0]=4 14230 B13R1.369 CCCCSc1cnc(cc1Cl)Cl 62a_100010200927_100000210210 [0,2,0,0,0,0|2,0,0]=4 14231 B13R1.369 CCCCSc1cnc(cc1Cl)N 62a_100000210211_100000694920 [0,2,0,0,0,0|2,0,0]=4 14232 B13R1.369 CCCCSc1cnc(cc1Cl)N 62a_100000694920_100000210210 [0,2,0,0,0,0|2,0,0]=4 14233 B13R1.369 CCCNCc1ccc(cc1Br)Br 207a_100020643023_100012351556 [0,2,0,0,0,0|1,1,0]=4 14234 B13R1.369 CCCNCc1ccc(cc1Br)Br 270004a_100020643023_100012351556 [0,2,0,0,0,0|1,1,0]=4 14235 B13R1.369 CCCNCc1ccc(cc1Br)C 207a_100020643023_100000692596 [0,2,0,0,0,0|1,1,0]=4 14236 B13R1.369 CCCNCc1ccc(cc1Br)C 270004a_100020643023_100000692596 [0,2,0,0,0,0|1,1,0]=4 14237 B13R1.369 CCCNCc1ccc(cc1Br)Cl 207a_100020643023_100000687667 [0,2,0,0,0,0|1,1,0]=4 14238 B13R1.369 CCCNCc1ccc(cc1Br)Cl 270004a_100020643023_100000687667 [0,2,0,0,0,0|1,1,0]=4 14239 B13R1.369 CCCNCc1ccc(cc1Br)Cl 34a_100102692131_100000210303 [0,2,0,0,0,0|1,1,0]=4 14240 B13R1.369 CCCNCc1ccc(cc1Br)F 207a_100020643023_100000685661 [0,2,0,0,0,0|1,1,0]=4 14241 B13R1.369 CCCNCc1ccc(cc1Br)F 270004a_100020643023_100000685661 [0,2,0,0,0,0|1,1,0]=4 14242 B13R1.369 CCCNCc1ccc(cc1Br)F 34a_100000708791_100000210303 [0,2,0,0,0,0|1,1,0]=4 14243 B13R1.369 CCCNCc1ccc(cc1Br)I 207a_100020643023_100010185650 [0,2,0,0,0,0|1,1,0]=4 14244 B13R1.369 CCCNCc1ccc(cc1C)Br 207a_100020643023_100000687586 [0,2,0,0,0,0|2,0,0]=4 14245 B13R1.369 CCCNCc1ccc(cc1C)Br 270004a_100020643023_100000687586 [0,2,0,0,0,0|2,0,0]=4 14246 B13R1.369 CCCNCc1ccc(cc1C)Br 34a_100000753881_100000210303 [0,2,0,0,0,0|2,0,0]=4 14247 B13R1.369 CCCNCc1ccc(cc1C)C 207a_100020643023_100000211342 [0,2,0,0,0,0|2,0,0]=4 14248 B13R1.369 CCCNCc1ccc(cc1C)C 270004a_100020643023_100000211342 [0,2,0,0,0,0|2,0,0]=4 14249 B13R1.369 CCCNCc1ccc(cc1C)C 34a_100000737523_100000210303 [0,2,0,0,0,0|2,0,0]=4 14250 B13R1.369 CCCNCc1ccc(cc1C)Cl 207a_100020643023_100000766358 [0,2,0,0,0,0|2,0,0]=4 14251 B13R1.369 CCCNCc1ccc(cc1C)Cl 270004a_100020643023_100000766358 [0,2,0,0,0,0|2,0,0]=4 14252 B13R1.369 CCCNCc1ccc(cc1C)Cl 34a_103436540063_100000210303 [0,2,0,0,0,0|2,0,0]=4 14253 B13R1.369 CCCNCc1ccc(cc1C)F 207a_100020643023_100000745986 [0,2,0,0,0,0|2,0,0]=4 14254 B13R1.369 CCCNCc1ccc(cc1C)F 270004a_100020643023_100000745986 [0,2,0,0,0,0|2,0,0]=4 14255 B13R1.369 CCCNCc1ccc(cc1C)F 34a_100137329023_100000210303 [0,2,0,0,0,0|2,0,0]=4 14256 B13R1.369 CCCNCc1ccc(cc1Cl)Br 207a_100020643023_100000764164 [0,2,0,0,0,0|1,0,0]=3 14257 B13R1.369 CCCNCc1ccc(cc1Cl)Br 270004a_100020643023_100000764164 [0,2,0,0,0,0|1,0,0]=3 14258 B13R1.369 CCCNCc1ccc(cc1Cl)Br 34a_100020628970_100000210303 [0,2,0,0,0,0|1,0,0]=3 14259 B13R1.369 CCCNCc1ccc(cc1Cl)C 207a_100020643023_100011935181 [0,2,0,0,0,0|1,0,0]=3 14260 B13R1.369 CCCNCc1ccc(cc1Cl)C 270004a_100020643023_100011935181 [0,2,0,0,0,0|1,0,0]=3 14261 B13R1.369 CCCNCc1ccc(cc1Cl)C 34a_100011997539_100000210303 [0,2,0,0,0,0|1,0,0]=3 14262 B13R1.369 CCCNCc1ccc(cc1Cl)Cl 207a_100020643023_100000188887 [0,2,0,0,0,0|1,0,0]=3 14263 B13R1.369 CCCNCc1ccc(cc1Cl)Cl 270004a_100020643023_100000188887 [0,2,0,0,0,0|1,0,0]=3 14264 B13R1.369 CCCNCc1ccc(cc1Cl)Cl 34a_100000174880_100000210303 [0,2,0,0,0,0|1,0,0]=3 14265 B13R1.369 CCCNCc1ccc(cc1Cl)F 207a_100020643023_100000752949 [0,2,0,0,0,0|1,0,0]=3 14266 B13R1.369 CCCNCc1ccc(cc1Cl)F 270004a_100020643023_100000752949 [0,2,0,0,0,0|1,0,0]=3 14267 B13R1.369 CCCNCc1ccc(cc1Cl)F 34a_100000174946_100000210303 [0,2,0,0,0,0|1,0,0]=3 14268 B13R1.369 CCCNCc1ccc(cc1Cl)I 207a_100020643023_100000727542 [0,2,0,0,0,0|1,0,0]=3 14269 B13R1.369 CCCNCc1ccc(cc1Cl)O 34a_200161156549_100000210303 [0,2,0,0,0,0|1,0,0]=3 14270 B13R1.369 CCCNCc1ccc(cc1F)Br 207a_100020643023_100000211676 [0,2,0,0,0,0|1,1,0]=4 14271 B13R1.369 CCCNCc1ccc(cc1F)Br 270004a_100020643023_100000211676 [0,2,0,0,0,0|1,1,0]=4 14272 B13R1.369 CCCNCc1ccc(cc1F)Br 34a_100000754580_100000210303 [0,2,0,0,0,0|1,1,0]=4 14273 B13R1.369 CCCNCc1ccc(cc1F)C 207a_100020643023_100011217368 [0,2,0,0,0,0|1,1,0]=4 14274 B13R1.369 CCCNCc1ccc(cc1F)C 270004a_100020643023_100011217368 [0,2,0,0,0,0|1,1,0]=4 14275 B13R1.369 CCCNCc1ccc(cc1F)C 34a_100102887089_100000210303 [0,2,0,0,0,0|1,1,0]=4 14276 B13R1.369 CCCNCc1ccc(cc1F)Cl 207a_100020643023_100000697372 [0,2,0,0,0,0|1,1,0]=4 14277 B13R1.369 CCCNCc1ccc(cc1F)Cl 270004a_100020643023_100000697372 [0,2,0,0,0,0|1,1,0]=4 14278 B13R1.369 CCCNCc1ccc(cc1F)Cl 34a_100000708496_100000210303 [0,2,0,0,0,0|1,1,0]=4 14279 B13R1.369 CCCNCc1ccc(cc1F)F 207a_100020643023_100000211964 [0,2,0,0,0,0|1,1,0]=4 14280 B13R1.369 CCCNCc1ccc(cc1F)F 270004a_100020643023_100000211964 [0,2,0,0,0,0|1,1,0]=4 14281 B13R1.369 CCCNCc1ccc(cc1F)F 34a_100000737868_100000210303 [0,2,0,0,0,0|1,1,0]=4 14282 B13R1.369 CCCNCc1ccc(cc1F)I 207a_100020643023_100000050965 [0,2,0,0,0,0|1,1,0]=4 14283 B13R1.369 CCCNCc1ccc(cc1I)Br 207a_100020643023_100010146562 [0,2,0,0,0,0|1,1,0]=4 14284 B13R1.369 CCCNCc1ccc(cc1I)Br 270004a_100020643023_100010146562 [0,2,0,0,0,0|1,1,0]=4 14285 B13R1.369 CCCNCc1ccc(cc1I)C 207a_100020643023_100010150104 [0,2,0,0,0,0|1,1,0]=4 14286 B13R1.369 CCCNCc1ccc(cc1I)C 270004a_100020643023_100010150104 [0,2,0,0,0,0|1,1,0]=4 14287 B13R1.369 CCCNCc1ccc(cc1I)F 207a_100020643023_100010254405 [0,2,0,0,0,0|1,1,0]=4 14288 B13R1.369 CCCNCc1ncc(cc1Cl)Br 207a_100020643023_100009814801 [0,2,0,0,0,0|2,0,0]=4 14289 B13R1.369 CCCNCc1ncc(cc1Cl)Br 270004a_100020643023_100009814801 [0,2,0,0,0,0|2,0,0]=4 14290 B13R1.369 CCCNCc1ncc(cc1Cl)Br 34a_100025703182_100000210303 [0,2,0,0,0,0|2,0,0]=4 14291 B13R1.369 CCCNCc1ncc(cc1Cl)Cl 207a_100020643023_100011361609 [0,2,0,0,0,0|2,0,0]=4 14292 B13R1.369 CCCNCc1ncc(cc1Cl)Cl 270004a_100020643023_100011361609 [0,2,0,0,0,0|2,0,0]=4 14293 B13R1.369 CCCNCc1ncc(cc1Cl)F 34a_100020639648_100000210303 [0,2,0,0,0,0|2,0,0]=4 14294 B13R1.369 CCCOCc1ccc(cc1Br)Br 34a_100000210258_200012351560 [0,2,0,0,0,0|1,1,0]=4 14295 B13R1.369 CCCOCc1ccc(cc1Br)Br 34a_100012357508_100000210303 [0,2,0,0,0,0|1,1,0]=4 14296 B13R1.369 CCCOCc1ccc(cc1Br)Br 7a_100012357508_100000210303 [0,2,0,0,0,0|1,1,0]=4 14297 B13R1.369 CCCOCc1ccc(cc1Br)Cl 34a_100000210258_100000755608 [0,2,0,0,0,0|1,1,0]=4 14298 B13R1.369 CCCOCc1ccc(cc1Br)Cl 34a_100000707881_100000210303 [0,2,0,0,0,0|1,1,0]=4 14299 B13R1.369 CCCOCc1ccc(cc1Br)Cl 7a_100000707881_100000210303 [0,2,0,0,0,0|1,1,0]=4 14300 B13R1.369 CCCOCc1ccc(cc1Br)F 34a_100000210258_100000243222 [0,2,0,0,0,0|1,1,0]=4 14301 B13R1.369 CCCOCc1ccc(cc1Br)F 34a_100000744086_100000210303 [0,2,0,0,0,0|1,1,0]=4 14302 B13R1.369 CCCOCc1ccc(cc1Br)F 7a_100000744086_100000210303 [0,2,0,0,0,0|1,1,0]=4 14303 B13R1.369 CCCOCc1ccc(cc1Br)I 34a_100000210258_100010146610 [0,2,0,0,0,0|1,1,0]=4 14304 B13R1.369 CCCOCc1ccc(cc1Br)I 7a_100010240206_100000210303 [0,2,0,0,0,0|1,1,0]=4 14305 B13R1.369 CCCOCc1ccc(cc1C)Br 34a_100000210258_100000708836 [0,2,0,0,0,0|2,0,0]=4 14306 B13R1.369 CCCOCc1ccc(cc1C)Br 34a_100000748258_100000210303 [0,2,0,0,0,0|2,0,0]=4 14307 B13R1.369 CCCOCc1ccc(cc1C)Br 7a_100000748258_100000210303 [0,2,0,0,0,0|2,0,0]=4 14308 B13R1.369 CCCOCc1ccc(cc1C)C 34a_100000210258_100011219618 [0,2,0,0,0,0|2,0,0]=4 14309 B13R1.369 CCCOCc1ccc(cc1C)C 34a_100011215341_100000210303 [0,2,0,0,0,0|2,0,0]=4 14310 B13R1.369 CCCOCc1ccc(cc1C)C 7a_100011215341_100000210303 [0,2,0,0,0,0|2,0,0]=4 14311 B13R1.369 CCCOCc1ccc(cc1C)Cl 34a_100000210258_100012361307 [0,2,0,0,0,0|2,0,0]=4 14312 B13R1.369 CCCOCc1ccc(cc1C)Cl 34a_100000702939_100000210303 [0,2,0,0,0,0|2,0,0]=4 14313 B13R1.369 CCCOCc1ccc(cc1C)Cl 7a_100000702939_100000210303 [0,2,0,0,0,0|2,0,0]=4 14314 B13R1.369 CCCOCc1ccc(cc1C)F 34a_100000210258_100000700533 [0,2,0,0,0,0|2,0,0]=4 14315 B13R1.369 CCCOCc1ccc(cc1C)F 34a_100000700136_100000210303 [0,2,0,0,0,0|2,0,0]=4 14316 B13R1.369 CCCOCc1ccc(cc1C)F 7a_100000700136_100000210303 [0,2,0,0,0,0|2,0,0]=4 14317 B13R1.369 CCCOCc1ccc(cc1C)N 34a_100000102464_100000210303 [0,2,0,0,0,0|2,0,0]=4 14318 B13R1.369 CCCOCc1ccc(cc1C)N 7a_100000102464_100000210303 [0,2,0,0,0,0|2,0,0]=4 14319 B13R1.369 CCCOCc1ccc(cc1Cl)Br 34a_100000210258_100011740631 [0,2,0,0,0,0|1,0,0]=3 14320 B13R1.369 CCCOCc1ccc(cc1Cl)Br 34a_100000756401_100000210303 [0,2,0,0,0,0|1,0,0]=3 14321 B13R1.369 CCCOCc1ccc(cc1Cl)Br 7a_100000756401_100000210303 [0,2,0,0,0,0|1,0,0]=3 14322 B13R1.369 CCCOCc1ccc(cc1Cl)C 34a_100000210258_100012349684 [0,2,0,0,0,0|1,0,0]=3 14323 B13R1.369 CCCOCc1ccc(cc1Cl)C 34a_100000720314_100000210303 [0,2,0,0,0,0|1,0,0]=3 14324 B13R1.369 CCCOCc1ccc(cc1Cl)C 7a_100000720314_100000210303 [0,2,0,0,0,0|1,0,0]=3 14325 B13R1.369 CCCOCc1ccc(cc1Cl)Cl 34a_100000210258_100000188473 [0,2,0,0,0,0|1,0,0]=3 14326 B13R1.369 CCCOCc1ccc(cc1Cl)Cl 34a_100000215721_100000210303 [0,2,0,0,0,0|1,0,0]=3 14327 B13R1.369 CCCOCc1ccc(cc1Cl)Cl 7a_100000215721_100000210303 [0,2,0,0,0,0|1,0,0]=3 14328 B13R1.369 CCCOCc1ccc(cc1Cl)F 34a_100000210258_100011216360 [0,2,0,0,0,0|1,0,0]=3 14329 B13R1.369 CCCOCc1ccc(cc1Cl)F 34a_100011219954_100000210303 [0,2,0,0,0,0|1,0,0]=3 14330 B13R1.369 CCCOCc1ccc(cc1Cl)F 7a_100011219954_100000210303 [0,2,0,0,0,0|1,0,0]=3 14331 B13R1.369 CCCOCc1ccc(cc1Cl)N 34a_100000689119_100000210303 [0,2,0,0,0,0|1,0,0]=3 14332 B13R1.369 CCCOCc1ccc(cc1F)Br 34a_100000210258_100000211606 [0,2,0,0,0,0|1,1,0]=4 14333 B13R1.369 CCCOCc1ccc(cc1F)Br 34a_100011191541_100000210303 [0,2,0,0,0,0|1,1,0]=4 14334 B13R1.369 CCCOCc1ccc(cc1F)Br 7a_100011191541_100000210303 [0,2,0,0,0,0|1,1,0]=4 14335 B13R1.369 CCCOCc1ccc(cc1F)C 34a_100000210258_100012002367 [0,2,0,0,0,0|1,1,0]=4 14336 B13R1.369 CCCOCc1ccc(cc1F)C 34a_100011216587_100000210303 [0,2,0,0,0,0|1,1,0]=4 14337 B13R1.369 CCCOCc1ccc(cc1F)C 7a_100011216587_100000210303 [0,2,0,0,0,0|1,1,0]=4 14338 B13R1.369 CCCOCc1ccc(cc1F)Cl 34a_100000210258_100000709361 [0,2,0,0,0,0|1,1,0]=4 14339 B13R1.369 CCCOCc1ccc(cc1F)Cl 34a_100011217562_100000210303 [0,2,0,0,0,0|1,1,0]=4 14340 B13R1.369 CCCOCc1ccc(cc1F)Cl 7a_100011217562_100000210303 [0,2,0,0,0,0|1,1,0]=4 14341 B13R1.369 CCCOCc1ccc(cc1F)F 34a_100000210258_100000748237 [0,2,0,0,0,0|1,1,0]=4 14342 B13R1.369 CCCOCc1ccc(cc1F)F 34a_100011215441_100000210303 [0,2,0,0,0,0|1,1,0]=4 14343 B13R1.369 CCCOCc1ccc(cc1F)F 7a_100011215441_100000210303 [0,2,0,0,0,0|1,1,0]=4 14344 B13R1.369 CCCOCc1ccc(cc1F)I 34a_100000210258_100010244991 [0,2,0,0,0,0|1,1,0]=4 14345 B13R1.369 CCCOCc1ccc(cc1F)I 34a_200010202041_100000210303 [0,2,0,0,0,0|1,1,0]=4 14346 B13R1.369 CCCOCc1ccc(cc1F)I 7a_200010202041_100000210303 [0,2,0,0,0,0|1,1,0]=4 14347 B13R1.369 CCCOCc1ccc(cc1I)Br 34a_100000210258_100010146615 [0,2,0,0,0,0|1,1,0]=4 14348 B13R1.369 CCCOCc1ccc(cc1I)Br 7a_100010146605_100000210303 [0,2,0,0,0,0|1,1,0]=4 14349 B13R1.369 CCCOCc1ccc(cc1I)Cl 34a_100000210258_100010254388 [0,2,0,0,0,0|1,1,0]=4 14350 B13R1.369 CCCOCc1ccc(cc1I)Cl 34a_100000722340_100000210303 [0,2,0,0,0,0|1,1,0]=4 14351 B13R1.369 CCCOCc1ccc(cc1I)Cl 7a_100000722340_100000210303 [0,2,0,0,0,0|1,1,0]=4 14352 B13R1.369 CCCOCc1ccc(cc1I)F 34a_100000210258_100012354799 [0,2,0,0,0,0|1,1,0]=4 14353 B13R1.369 CCCOCc1ccc(cc1I)F 34a_100011356828_100000210303 [0,2,0,0,0,0|1,1,0]=4 14354 B13R1.369 CCCOCc1ccc(cc1I)F 7a_100011356828_100000210303 [0,2,0,0,0,0|1,1,0]=4 14355 B13R1.369 CCCOCc1ccc(cc1N)Br 34a_100000718831_100000210303 [0,2,0,0,0,0|2,0,0]=4 14356 B13R1.369 CCCOCc1ccc(cc1N)Br 7a_100000718831_100000210303 [0,2,0,0,0,0|2,0,0]=4 14357 B13R1.369 CCCOCc1ccc(cc1N)C 34a_100000087799_100000210303 [0,2,0,0,0,0|2,0,0]=4 14358 B13R1.369 CCCOCc1ccc(cc1N)C 7a_100000087799_100000210303 [0,2,0,0,0,0|2,0,0]=4 14359 B13R1.369 CCCOCc1ccc(cc1N)Cl 34a_100000238622_100000210303 [0,2,0,0,0,0|2,0,0]=4 14360 B13R1.369 CCCOCc1ccc(cc1N)Cl 7a_100000238622_100000210303 [0,2,0,0,0,0|2,0,0]=4 14361 B13R1.369 CCCOCc1ccc(cc1N)F 34a_100011996588_100000210303 [0,2,0,0,0,0|2,0,0]=4 14362 B13R1.369 CCCOCc1ccc(nc1Cl)C 34a_102495338573_100000210303 [0,2,0,0,0,0|2,0,0]=4 14363 B13R1.369 CCCOCc1ccc(nc1Cl)C 7a_102495338573_100000210303 [0,2,0,0,0,0|2,0,0]=4 14364 B13R1.369 CCCOCc1ccc(nc1Cl)Cl 34a_100000210258_100000722033 [0,2,0,0,0,0|2,0,0]=4 14365 B13R1.369 CCCOCc1ccc(nc1Cl)Cl 34a_100000720492_100000210303 [0,2,0,0,0,0|2,0,0]=4 14366 B13R1.369 CCCOCc1ccc(nc1Cl)Cl 7a_100000720492_100000210303 [0,2,0,0,0,0|2,0,0]=4 14367 B13R1.369 CCCOCc1cnc(cc1Cl)Cl 34a_100000210258_100011997056 [0,2,0,0,0,0|2,0,0]=4 14368 B13R1.369 CCCOCc1cnc(cc1Cl)Cl 34a_100000702863_100000210303 [0,2,0,0,0,0|2,0,0]=4 14369 B13R1.369 CCCOCc1cnc(cc1Cl)Cl 7a_100000702863_100000210303 [0,2,0,0,0,0|2,0,0]=4 14370 B13R1.369 CCCOCc1ncc(cc1Cl)Br 34a_100010065239_100000210303 [0,2,0,0,0,0|2,0,0]=4 14371 B13R1.369 CCCOCc1ncc(cc1Cl)Br 7a_100010065239_100000210303 [0,2,0,0,0,0|2,0,0]=4 14372 B13R1.369 CCCOCc1ncc(cc1Cl)Cl 34a_100103146734_100000210303 [0,2,0,0,0,0|2,0,0]=4 14373 B13R1.369 CCCOCc1ncc(cc1Cl)Cl 7a_100103146734_100000210303 [0,2,0,0,0,0|2,0,0]=4 14374 B13R1.369 CCCSCc1ccc(cc1Br)Br 62a_100000210303_200012351560 [0,2,0,0,0,0|1,1,0]=4 14375 B13R1.369 CCCSCc1ccc(cc1Br)Br 62a_200012351560_100000210303 [0,2,0,0,0,0|1,1,0]=4 14376 B13R1.369 CCCSCc1ccc(cc1Br)Cl 62a_100000210303_100000755608 [0,2,0,0,0,0|1,1,0]=4 14377 B13R1.369 CCCSCc1ccc(cc1Br)Cl 62a_100000755608_100000210303 [0,2,0,0,0,0|1,1,0]=4 14378 B13R1.369 CCCSCc1ccc(cc1Br)F 62a_100000210303_100000243222 [0,2,0,0,0,0|1,1,0]=4 14379 B13R1.369 CCCSCc1ccc(cc1Br)F 62a_100000243222_100000210303 [0,2,0,0,0,0|1,1,0]=4 14380 B13R1.369 CCCSCc1ccc(cc1Br)I 62a_100000210303_100010146610 [0,2,0,0,0,0|1,1,0]=4 14381 B13R1.369 CCCSCc1ccc(cc1Br)I 62a_100010146610_100000210303 [0,2,0,0,0,0|1,1,0]=4 14382 B13R1.369 CCCSCc1ccc(cc1C)Br 62a_100000210303_100000708836 [0,2,0,0,0,0|2,0,0]=4 14383 B13R1.369 CCCSCc1ccc(cc1C)Br 62a_100000708836_100000210303 [0,2,0,0,0,0|2,0,0]=4 14384 B13R1.369 CCCSCc1ccc(cc1C)C 62a_100000210303_100011219618 [0,2,0,0,0,0|2,0,0]=4 14385 B13R1.369 CCCSCc1ccc(cc1C)C 62a_100011219618_100000210303 [0,2,0,0,0,0|2,0,0]=4 14386 B13R1.369 CCCSCc1ccc(cc1C)Cl 62a_100000210303_100012361307 [0,2,0,0,0,0|2,0,0]=4 14387 B13R1.369 CCCSCc1ccc(cc1C)Cl 62a_100012361307_100000210303 [0,2,0,0,0,0|2,0,0]=4 14388 B13R1.369 CCCSCc1ccc(cc1C)F 62a_100000210303_100000700533 [0,2,0,0,0,0|2,0,0]=4 14389 B13R1.369 CCCSCc1ccc(cc1C)F 62a_100000700533_100000210303 [0,2,0,0,0,0|2,0,0]=4 14390 B13R1.369 CCCSCc1ccc(cc1Cl)Br 62a_100000210303_100011740631 [0,2,0,0,0,0|1,0,0]=3 14391 B13R1.369 CCCSCc1ccc(cc1Cl)Br 62a_100011740631_100000210303 [0,2,0,0,0,0|1,0,0]=3 14392 B13R1.369 CCCSCc1ccc(cc1Cl)C 62a_100000210303_100012349684 [0,2,0,0,0,0|1,0,0]=3 14393 B13R1.369 CCCSCc1ccc(cc1Cl)C 62a_100012349684_100000210303 [0,2,0,0,0,0|1,0,0]=3 14394 B13R1.369 CCCSCc1ccc(cc1Cl)Cl 62a_100000188473_100000210303 [0,2,0,0,0,0|1,0,0]=3 14395 B13R1.369 CCCSCc1ccc(cc1Cl)Cl 62a_100000210303_100000188473 [0,2,0,0,0,0|1,0,0]=3 14396 B13R1.369 CCCSCc1ccc(cc1Cl)F 62a_100000187853_100000210303 [0,2,0,0,0,0|1,0,0]=3 14397 B13R1.369 CCCSCc1ccc(cc1Cl)F 62a_100000210303_100000187853 [0,2,0,0,0,0|1,0,0]=3 14398 B13R1.369 CCCSCc1ccc(cc1F)Br 62a_100000210303_100000211606 [0,2,0,0,0,0|1,1,0]=4 14399 B13R1.369 CCCSCc1ccc(cc1F)Br 62a_100000211606_100000210303 [0,2,0,0,0,0|1,1,0]=4 14400 B13R1.369 CCCSCc1ccc(cc1F)C 62a_100000210303_100011217900 [0,2,0,0,0,0|1,1,0]=4 14401 B13R1.369 CCCSCc1ccc(cc1F)C 62a_100011217900_100000210303 [0,2,0,0,0,0|1,1,0]=4 14402 B13R1.369 CCCSCc1ccc(cc1F)Cl 62a_100000210303_100000709361 [0,2,0,0,0,0|1,1,0]=4 14403 B13R1.369 CCCSCc1ccc(cc1F)Cl 62a_100000709361_100000210303 [0,2,0,0,0,0|1,1,0]=4 14404 B13R1.369 CCCSCc1ccc(cc1F)F 62a_100000210303_100000748237 [0,2,0,0,0,0|1,1,0]=4 14405 B13R1.369 CCCSCc1ccc(cc1F)F 62a_100000748237_100000210303 [0,2,0,0,0,0|1,1,0]=4 14406 B13R1.369 CCCSCc1ccc(cc1F)I 62a_100000210303_100010244991 [0,2,0,0,0,0|1,1,0]=4 14407 B13R1.369 CCCSCc1ccc(cc1F)I 62a_100010244991_100000210303 [0,2,0,0,0,0|1,1,0]=4 14408 B13R1.369 CCCSCc1ccc(cc1I)Br 62a_100000210303_100010146615 [0,2,0,0,0,0|1,1,0]=4 14409 B13R1.369 CCCSCc1ccc(cc1I)Br 62a_100010146615_100000210303 [0,2,0,0,0,0|1,1,0]=4 14410 B13R1.369 CCCSCc1ccc(cc1I)Cl 62a_100000210303_100010254388 [0,2,0,0,0,0|1,1,0]=4 14411 B13R1.369 CCCSCc1ccc(cc1I)Cl 62a_100010254388_100000210303 [0,2,0,0,0,0|1,1,0]=4 14412 B13R1.369 CCCSCc1ccc(cc1I)F 62a_100000210303_100012354799 [0,2,0,0,0,0|1,1,0]=4 14413 B13R1.369 CCCSCc1ccc(cc1I)F 62a_100012354799_100000210303 [0,2,0,0,0,0|1,1,0]=4 14414 B13R1.369 CCCSCc1ccc(nc1Cl)Cl 62a_100000210303_100000722033 [0,2,0,0,0,0|2,0,0]=4 14415 B13R1.369 CCCSCc1ccc(nc1Cl)Cl 62a_100000722033_100000210303 [0,2,0,0,0,0|2,0,0]=4 14416 B13R1.369 CCCSCc1cnc(cc1Cl)Cl 62a_100000210303_100011997056 [0,2,0,0,0,0|2,0,0]=4 14417 B13R1.369 CCCSCc1cnc(cc1Cl)Cl 62a_100011997056_100000210303 [0,2,0,0,0,0|2,0,0]=4 14418 B13R1.369 CCNCCc1ccc(cc1Br)Cl 2230a_100015525214_200012945151 [0,2,0,0,0,0|0,1,0]=3 14419 B13R1.369 CCNCCc1ccc(cc1C)C 2230a_100000745621_100000210202 [0,2,0,0,0,0|1,0,0]=3 14420 B13R1.369 CCNCCc1ccc(cc1C)C 270004a_100015525214_100011754701 [0,2,0,0,0,0|1,0,0]=3 14421 B13R1.369 CCNCCc1ccc(cc1C)C 34a_100000745621_100000210202 [0,2,0,0,0,0|1,0,0]=3 14422 B13R1.369 CCNCCc1ccc(cc1Cl)Cl 2230a_100000210994_100000210202 [0,2,0,0,0,0|0,0,0]=2 14423 B13R1.369 CCNCCc1ccc(cc1Cl)Cl 2230a_100015525214_200012161198 [0,2,0,0,0,0|0,0,0]=2 14424 B13R1.369 CCNCCc1ccc(cc1Cl)Cl 34a_100000210994_100000210202 [0,2,0,0,0,0|0,0,0]=2 14425 B13R1.369 CCNCCc1ccc(cc1F)Cl 2230a_103496529009_100000210202 [0,2,0,0,0,0|0,1,0]=3 14426 B13R1.369 CCNCCc1ccc(cc1F)Cl 34a_103496529009_100000210202 [0,2,0,0,0,0|0,1,0]=3 14427 B13R1.369 CCNCCc1ccc(cc1F)F 2230a_100000754870_100000210202 [0,2,0,0,0,0|0,1,0]=3 14428 B13R1.369 CCNCCc1ccc(cc1F)F 34a_100000754870_100000210202 [0,2,0,0,0,0|0,1,0]=3 14429 B13R1.369 CCNN=Cc1ccc(cc1Cl)Br 4a_100000756455_100000764164 [0,2,0,0,0,0|1,0,1]=4 14430 B13R1.369 CCNN=Cc1ccc(cc1Cl)C 4a_100000756455_100011935181 [0,2,0,0,0,0|1,0,1]=4 14431 B13R1.369 CCNN=Cc1ccc(cc1Cl)Cl 4a_100000756455_100000188887 [0,2,0,0,0,0|1,0,1]=4 14432 B13R1.369 CCNN=Cc1ccc(cc1Cl)F 4a_100000756455_100000752949 [0,2,0,0,0,0|1,0,1]=4 14433 B13R1.369 CCNN=Cc1ccc(cc1Cl)I 4a_100000756455_100000727542 [0,2,0,0,0,0|1,0,1]=4 14434 B13R1.369 CCNN=Cc1ccc(cc1Cl)O 4a_100000756455_100011215651 [0,2,0,0,0,0|1,0,1]=4 14435 B13R1.369 CCOCCc1ccc(cc1Br)Cl 34a_100121572206_200012945151 [0,2,0,0,0,0|1,1,0]=4 14436 B13R1.369 CCOCCc1ccc(cc1Cl)Br 34a_100013445822_100000210202 [0,2,0,0,0,0|1,0,0]=3 14437 B13R1.369 CCOCCc1ccc(cc1Cl)Br 7a_100013445822_100000210202 [0,2,0,0,0,0|1,0,0]=3 14438 B13R1.369 CCOCCc1ccc(cc1Cl)Cl 34a_100011215701_100000210202 [0,2,0,0,0,0|1,0,0]=3 14439 B13R1.369 CCOCCc1ccc(cc1Cl)Cl 34a_100121572206_200012161198 [0,2,0,0,0,0|1,0,0]=3 14440 B13R1.369 CCOCCc1ccc(cc1Cl)Cl 7a_100011215701_100000210202 [0,2,0,0,0,0|1,0,0]=3 14441 B13R1.369 CCOCCc1ccc(cc1Cl)F 34a_100011962860_100000210202 [0,2,0,0,0,0|1,0,0]=3 14442 B13R1.369 CCOCCc1ccc(cc1Cl)F 7a_100011962860_100000210202 [0,2,0,0,0,0|1,0,0]=3 14443 B13R1.369 CCOCCc1ccc(cc1F)Br 34a_100011962869_100000210202 [0,2,0,0,0,0|1,1,0]=4 14444 B13R1.369 CCOCCc1ccc(cc1F)Br 7a_100011962869_100000210202 [0,2,0,0,0,0|1,1,0]=4 14445 B13R1.369 CCOCCc1ccc(cc1F)F 34a_100000697962_100000210202 [0,2,0,0,0,0|1,1,0]=4 14446 B13R1.369 CCOCCc1ccc(cc1F)F 7a_100000697962_100000210202 [0,2,0,0,0,0|1,1,0]=4 14447 B13R1.369 CCOCSc1ccc(cc1Cl)Br 62a_100000739092_100011216062 [0,2,0,0,0,0|2,0,0]=4 14448 B13R1.369 CCOCSc1ccc(cc1Cl)Br 62a_100011216062_100000739092 [0,2,0,0,0,0|2,0,0]=4 14449 B13R1.369 CCOCSc1ccc(cc1Cl)C 62a_100000739092_100011263221 [0,2,0,0,0,0|2,0,0]=4 14450 B13R1.369 CCOCSc1ccc(cc1Cl)C 62a_100011263221_100000739092 [0,2,0,0,0,0|2,0,0]=4 14451 B13R1.369 CCOCSc1ccc(cc1Cl)Cl 62a_100000699841_100000739092 [0,2,0,0,0,0|2,0,0]=4 14452 B13R1.369 CCOCSc1ccc(cc1Cl)Cl 62a_100000739092_100000699841 [0,2,0,0,0,0|2,0,0]=4 14453 B13R1.369 CCOCSc1ccc(cc1Cl)F 62a_100000733362_100000739092 [0,2,0,0,0,0|2,0,0]=4 14454 B13R1.369 CCOCSc1ccc(cc1Cl)F 62a_100000739092_100000733362 [0,2,0,0,0,0|2,0,0]=4 14455 B13R1.369 CCOCSc1ccc(cc1Cl)N 62a_100000739092_100000761885 [0,2,0,0,0,0|2,0,0]=4 14456 B13R1.369 CCOCSc1ccc(cc1Cl)N 62a_100000761885_100000739092 [0,2,0,0,0,0|2,0,0]=4 14457 B13R1.369 CCOCSc1ccc(cc1Cl)O 62a_100000047559_100000739092 [0,2,0,0,0,0|2,0,0]=4 14458 B13R1.369 CCOCSc1ccc(cc1Cl)O 62a_100000739092_100000047559 [0,2,0,0,0,0|2,0,0]=4 14459 B13R1.369 CCSCCc1ccc(cc1Br)Cl 62a_100000210202_200012945151 [0,2,0,0,0,0|1,1,0]=4 14460 B13R1.369 CCSCCc1ccc(cc1Br)Cl 62a_200012945151_100000210202 [0,2,0,0,0,0|1,1,0]=4 14461 B13R1.369 CCSCCc1ccc(cc1Cl)Cl 62a_100000210202_200012161198 [0,2,0,0,0,0|1,0,0]=3 14462 B13R1.369 CCSCCc1ccc(cc1Cl)Cl 62a_200012161198_100000210202 [0,2,0,0,0,0|1,0,0]=3 14463 B13R1.369 CNCCCc1ccc(cc1Cl)Cl 270004a_106832991635_100000765304 [0,2,0,0,0,0|0,0,0]=2 14464 B13R1.369 CNCCOc1ccc(cc1Br)C 2230a_100025744979_200000210301 [0,2,0,0,0,0|0,1,0]=3 14465 B13R1.369 CNCCOc1ccc(cc1Br)C 34a_100025744979_200000210301 [0,2,0,0,0,0|0,1,0]=3 14466 B13R1.369 CNCCOc1ccc(cc1Br)Cl 2230a_106832991635_100000199037 [0,2,0,0,0,0|0,1,0]=3 14467 B13R1.369 CNCCOc1ccc(cc1Br)Cl 34a_100102657272_100000199037 [0,2,0,0,0,0|0,1,0]=3 14468 B13R1.369 CNCCOc1ccc(cc1Br)Cl 7a_106832991635_100000199037 [0,2,0,0,0,0|0,1,0]=3 14469 B13R1.369 CNCCOc1ccc(cc1C)C 2230a_106832991635_100011210784 [0,2,0,0,0,0|1,0,0]=3 14470 B13R1.369 CNCCOc1ccc(cc1C)C 34a_100102657272_100011210784 [0,2,0,0,0,0|1,0,0]=3 14471 B13R1.369 CNCCOc1ccc(cc1C)C 7a_106832991635_100011210784 [0,2,0,0,0,0|1,0,0]=3 14472 B13R1.369 CNCCOc1ccc(cc1C)Cl 2230a_100025744827_200000210301 [0,2,0,0,0,0|1,0,0]=3 14473 B13R1.369 CNCCOc1ccc(cc1C)Cl 34a_100025744827_200000210301 [0,2,0,0,0,0|1,0,0]=3 14474 B13R1.369 CNCCOc1ccc(cc1Cl)Cl 2230a_106832991635_100000184432 [0,2,0,0,0,0|0,0,0]=2 14475 B13R1.369 CNCCOc1ccc(cc1Cl)Cl 34a_100102657272_100000184432 [0,2,0,0,0,0|0,0,0]=2 14476 B13R1.369 CNCCOc1ccc(cc1Cl)Cl 7a_106832991635_100000184432 [0,2,0,0,0,0|0,0,0]=2 14477 B13R1.369 CNCCOc1ccc(cc1Cl)F 2230a_100020586385_200000210301 [0,2,0,0,0,0|0,0,0]=2 14478 B13R1.369 CNCCOc1ccc(cc1Cl)F 34a_100020586385_200000210301 [0,2,0,0,0,0|0,0,0]=2 14479 B13R1.369 COCC=Cc1ccc(cc1Cl)Br 271570a_100016286323_100011216062 [0,2,0,0,0,0|1,0,1]=4 14480 B13R1.369 COCC=Cc1ccc(cc1Cl)C 271570a_100016286323_100011263221 [0,2,0,0,0,0|1,0,1]=4 14481 B13R1.369 COCC=Cc1ccc(cc1Cl)Cl 271570a_100016286323_100000699841 [0,2,0,0,0,0|1,0,1]=4 14482 B13R1.369 COCC=Cc1ccc(cc1Cl)F 271570a_100016286323_100000733362 [0,2,0,0,0,0|1,0,1]=4 14483 B13R1.369 COCC=Cc1ccc(cc1Cl)N 271570a_100016286323_100000761885 [0,2,0,0,0,0|1,0,1]=4 14484 B13R1.369 COCC=Cc1ccc(cc1Cl)O 271570a_100016286323_100000047559 [0,2,0,0,0,0|1,0,1]=4 14485 B13R1.369 COCCCc1ccc(cc1Cl)Cl 34a_200011713141_200000210301 [0,2,0,0,0,0|1,0,0]=3 14486 B13R1.369 COCCCc1ccc(cc1Cl)Cl 7a_200011713141_200000210301 [0,2,0,0,0,0|1,0,0]=3 14487 B13R1.369 COCCNc1ccc(cc1Br)Br 34a_100000211012_100011201679 [0,2,0,0,0,0|1,1,0]=4 14488 B13R1.369 COCCNc1ccc(cc1Br)C 34a_100000210942_100011201679 [0,2,0,0,0,0|1,1,0]=4 14489 B13R1.369 COCCNc1ccc(cc1Br)Cl 34a_100000752454_100011201679 [0,2,0,0,0,0|1,1,0]=4 14490 B13R1.369 COCCNc1ccc(cc1Br)F 34a_100000738039_100011201679 [0,2,0,0,0,0|1,1,0]=4 14491 B13R1.369 COCCNc1ccc(cc1Br)O 34a_100012001276_100011201679 [0,2,0,0,0,0|1,1,0]=4 14492 B13R1.369 COCCNc1ccc(cc1C)Br 34a_100000211769_100011201679 [0,2,0,0,0,0|2,0,0]=4 14493 B13R1.369 COCCNc1ccc(cc1C)Br 7a_100000211769_100000233755 [0,2,0,0,0,0|2,0,0]=4 14494 B13R1.369 COCCNc1ccc(cc1C)C 34a_100000736561_100011201679 [0,2,0,0,0,0|2,0,0]=4 14495 B13R1.369 COCCNc1ccc(cc1C)C 7a_100000736561_100000233755 [0,2,0,0,0,0|2,0,0]=4 14496 B13R1.369 COCCNc1ccc(cc1C)Cl 34a_100000210418_100011201679 [0,2,0,0,0,0|2,0,0]=4 14497 B13R1.369 COCCNc1ccc(cc1C)Cl 7a_100000210418_100000233755 [0,2,0,0,0,0|2,0,0]=4 14498 B13R1.369 COCCNc1ccc(cc1C)F 34a_100000211637_100011201679 [0,2,0,0,0,0|2,0,0]=4 14499 B13R1.369 COCCNc1ccc(cc1C)F 7a_100000211637_100000233755 [0,2,0,0,0,0|2,0,0]=4 14500 B13R1.369 COCCNc1ccc(cc1C)I 34a_100000184554_100011201679 [0,2,0,0,0,0|2,0,0]=4 14501 B13R1.369 COCCNc1ccc(cc1C)I 7a_100000184554_100000233755 [0,2,0,0,0,0|2,0,0]=4 14502 B13R1.369 COCCNc1ccc(cc1C)O 34a_100000756630_100011201679 [0,2,0,0,0,0|2,0,0]=4 14503 B13R1.369 COCCNc1ccc(cc1Cl)Br 34a_100000211467_100011201679 [0,2,0,0,0,0|1,0,0]=3 14504 B13R1.369 COCCNc1ccc(cc1Cl)C 34a_100000210522_100011201679 [0,2,0,0,0,0|1,0,0]=3 14505 B13R1.369 COCCNc1ccc(cc1Cl)Cl 34a_100000185861_100011201679 [0,2,0,0,0,0|1,0,0]=3 14506 B13R1.369 COCCNc1ccc(cc1Cl)F 34a_100000212003_100011201679 [0,2,0,0,0,0|1,0,0]=3 14507 B13R1.369 COCCNc1ccc(cc1Cl)I 34a_100011218065_100011201679 [0,2,0,0,0,0|1,0,0]=3 14508 B13R1.369 COCCNc1ccc(cc1Cl)O 34a_100011215599_100011201679 [0,2,0,0,0,0|1,0,0]=3 14509 B13R1.369 COCCNc1ccc(cc1F)Br 34a_100000210722_100011201679 [0,2,0,0,0,0|1,1,0]=4 14510 B13R1.369 COCCNc1ccc(cc1F)C 34a_100000211023_100011201679 [0,2,0,0,0,0|1,1,0]=4 14511 B13R1.369 COCCNc1ccc(cc1F)Cl 34a_100000211020_100011201679 [0,2,0,0,0,0|1,1,0]=4 14512 B13R1.369 COCCNc1ccc(cc1F)F 34a_100000210720_100011201679 [0,2,0,0,0,0|1,1,0]=4 14513 B13R1.369 COCCNc1ccc(cc1F)F 34a_100000692795_200000210301 [0,2,0,0,0,0|1,1,0]=4 14514 B13R1.369 COCCNc1ccc(cc1F)F 7a_100000692795_200000210301 [0,2,0,0,0,0|1,1,0]=4 14515 B13R1.369 COCCNc1ccc(cc1F)I 34a_100011215594_100011201679 [0,2,0,0,0,0|1,1,0]=4 14516 B13R1.369 COCCNc1ccc(cc1F)O 34a_100000759473_100011201679 [0,2,0,0,0,0|1,1,0]=4 14517 B13R1.369 COCCNc1ccc(cc1I)Br 34a_100000187925_100011201679 [0,2,0,0,0,0|1,1,0]=4 14518 B13R1.369 COCCNc1ccc(cc1I)C 34a_100011356834_100011201679 [0,2,0,0,0,0|1,1,0]=4 14519 B13R1.369 COCCNc1ccc(cc1I)Cl 34a_100000761889_100011201679 [0,2,0,0,0,0|1,1,0]=4 14520 B13R1.369 COCCNc1ccc(cc1I)F 34a_100000760547_100011201679 [0,2,0,0,0,0|1,1,0]=4 14521 B13R1.369 COCCNc1ccc(cc1I)O 34a_100010084370_100011201679 [0,2,0,0,0,0|1,1,0]=4 14522 B13R1.369 COCCNc1ccc(cc1O)Br 34a_100000739049_100011201679 [0,2,0,0,0,0|2,0,0]=4 14523 B13R1.369 COCCNc1ccc(cc1O)C 34a_100000211527_100011201679 [0,2,0,0,0,0|2,0,0]=4 14524 B13R1.369 COCCNc1ccc(cc1O)Cl 34a_100000185728_100011201679 [0,2,0,0,0,0|2,0,0]=4 14525 B13R1.369 COCCNc1ccc(cc1O)F 34a_100000753323_100011201679 [0,2,0,0,0,0|2,0,0]=4 14526 B13R1.369 COCCNc1ccc(cc1O)O 34a_100000106777_100011201679 [0,2,0,0,0,0|2,0,0]=4 14527 B13R1.369 COCCOc1ccc(cc1Br)Br 34a_100000188717_100011201679 [0,2,0,0,0,0|1,1,0]=4 14528 B13R1.369 COCCOc1ccc(cc1Br)Br 7a_100000188717_100000233755 [0,2,0,0,0,0|1,1,0]=4 14529 B13R1.369 COCCOc1ccc(cc1Br)C 34a_100000210800_100011201679 [0,2,0,0,0,0|1,1,0]=4 14530 B13R1.369 COCCOc1ccc(cc1Br)C 7a_100000210800_100000233755 [0,2,0,0,0,0|1,1,0]=4 14531 B13R1.369 COCCOc1ccc(cc1Br)Cl 34a_100000193638_200000210301 [0,2,0,0,0,0|1,1,0]=4 14532 B13R1.369 COCCOc1ccc(cc1Br)Cl 34a_100000211998_100011201679 [0,2,0,0,0,0|1,1,0]=4 14533 B13R1.369 COCCOc1ccc(cc1Br)Cl 34a_100138415774_100000199037 [0,2,0,0,0,0|1,1,0]=4 14534 B13R1.369 COCCOc1ccc(cc1Br)Cl 7a_100000193638_200000210301 [0,2,0,0,0,0|1,1,0]=4 14535 B13R1.369 COCCOc1ccc(cc1Br)Cl 7a_100000211998_100000233755 [0,2,0,0,0,0|1,1,0]=4 14536 B13R1.369 COCCOc1ccc(cc1Br)F 34a_100000211999_100011201679 [0,2,0,0,0,0|1,1,0]=4 14537 B13R1.369 COCCOc1ccc(cc1Br)F 7a_100000211999_100000233755 [0,2,0,0,0,0|1,1,0]=4 14538 B13R1.369 COCCOc1ccc(cc1Br)I 34a_100012361655_100011201679 [0,2,0,0,0,0|1,1,0]=4 14539 B13R1.369 COCCOc1ccc(cc1Br)I 7a_100012361655_100000233755 [0,2,0,0,0,0|1,1,0]=4 14540 B13R1.369 COCCOc1ccc(cc1Br)N 34a_100011534360_100011201679 [0,2,0,0,0,0|1,1,0]=4 14541 B13R1.369 COCCOc1ccc(cc1Br)N 7a_100011534360_100000233755 [0,2,0,0,0,0|1,1,0]=4 14542 B13R1.369 COCCOc1ccc(cc1C)Br 34a_100000186361_100011201679 [0,2,0,0,0,0|2,0,0]=4 14543 B13R1.369 COCCOc1ccc(cc1C)Br 7a_100000186361_100000233755 [0,2,0,0,0,0|2,0,0]=4 14544 B13R1.369 COCCOc1ccc(cc1C)C 34a_100000211776_100011201679 [0,2,0,0,0,0|2,0,0]=4 14545 B13R1.369 COCCOc1ccc(cc1C)C 34a_100138415774_100011210784 [0,2,0,0,0,0|2,0,0]=4 14546 B13R1.369 COCCOc1ccc(cc1C)C 7a_100000211776_100000233755 [0,2,0,0,0,0|2,0,0]=4 14547 B13R1.369 COCCOc1ccc(cc1C)Cl 34a_100000211091_100011201679 [0,2,0,0,0,0|2,0,0]=4 14548 B13R1.369 COCCOc1ccc(cc1C)Cl 7a_100000211091_100000233755 [0,2,0,0,0,0|2,0,0]=4 14549 B13R1.369 COCCOc1ccc(cc1C)F 34a_100000764316_100011201679 [0,2,0,0,0,0|2,0,0]=4 14550 B13R1.369 COCCOc1ccc(cc1C)F 7a_100000764316_100000233755 [0,2,0,0,0,0|2,0,0]=4 14551 B13R1.369 COCCOc1ccc(cc1C)I 34a_100011218673_100011201679 [0,2,0,0,0,0|2,0,0]=4 14552 B13R1.369 COCCOc1ccc(cc1C)I 7a_100011218673_100000233755 [0,2,0,0,0,0|2,0,0]=4 14553 B13R1.369 COCCOc1ccc(cc1C)N 34a_100011218179_100011201679 [0,2,0,0,0,0|2,0,0]=4 14554 B13R1.369 COCCOc1ccc(cc1C)N 7a_100011218179_100000233755 [0,2,0,0,0,0|2,0,0]=4 14555 B13R1.369 COCCOc1ccc(cc1Cl)Br 34a_100000186472_100011201679 [0,2,0,0,0,0|1,0,0]=3 14556 B13R1.369 COCCOc1ccc(cc1Cl)Br 7a_100000186472_100000233755 [0,2,0,0,0,0|1,0,0]=3 14557 B13R1.369 COCCOc1ccc(cc1Cl)C 34a_100000749699_100011201679 [0,2,0,0,0,0|1,0,0]=3 14558 B13R1.369 COCCOc1ccc(cc1Cl)C 7a_100000749699_100000233755 [0,2,0,0,0,0|1,0,0]=3 14559 B13R1.369 COCCOc1ccc(cc1Cl)Cl 34a_100015191787_100011201679 [0,2,0,0,0,0|1,0,0]=3 14560 B13R1.369 COCCOc1ccc(cc1Cl)Cl 34a_100138415774_100000184432 [0,2,0,0,0,0|1,0,0]=3 14561 B13R1.369 COCCOc1ccc(cc1Cl)Cl 34a_200000205304_200000210301 [0,2,0,0,0,0|1,0,0]=3 14562 B13R1.369 COCCOc1ccc(cc1Cl)Cl 7a_100015191787_100000233755 [0,2,0,0,0,0|1,0,0]=3 14563 B13R1.369 COCCOc1ccc(cc1Cl)Cl 7a_200000205304_200000210301 [0,2,0,0,0,0|1,0,0]=3 14564 B13R1.369 COCCOc1ccc(cc1Cl)F 34a_100000212004_100011201679 [0,2,0,0,0,0|1,0,0]=3 14565 B13R1.369 COCCOc1ccc(cc1Cl)F 7a_100000212004_100000233755 [0,2,0,0,0,0|1,0,0]=3 14566 B13R1.369 COCCOc1ccc(cc1Cl)I 34a_100012360047_100011201679 [0,2,0,0,0,0|1,0,0]=3 14567 B13R1.369 COCCOc1ccc(cc1Cl)I 7a_100012360047_100000233755 [0,2,0,0,0,0|1,0,0]=3 14568 B13R1.369 COCCOc1ccc(cc1Cl)N 34a_100000744943_100011201679 [0,2,0,0,0,0|1,0,0]=3 14569 B13R1.369 COCCOc1ccc(cc1Cl)N 7a_100000744943_100000233755 [0,2,0,0,0,0|1,0,0]=3 14570 B13R1.369 COCCOc1ccc(cc1F)Br 34a_100000185481_100011201679 [0,2,0,0,0,0|1,1,0]=4 14571 B13R1.369 COCCOc1ccc(cc1F)Br 7a_100000185481_100000233755 [0,2,0,0,0,0|1,1,0]=4 14572 B13R1.369 COCCOc1ccc(cc1F)C 34a_100011216688_100011201679 [0,2,0,0,0,0|1,1,0]=4 14573 B13R1.369 COCCOc1ccc(cc1F)C 7a_100011216688_100000233755 [0,2,0,0,0,0|1,1,0]=4 14574 B13R1.369 COCCOc1ccc(cc1F)Cl 34a_100000230166_100011201679 [0,2,0,0,0,0|1,1,0]=4 14575 B13R1.369 COCCOc1ccc(cc1F)Cl 7a_100000230166_100000233755 [0,2,0,0,0,0|1,1,0]=4 14576 B13R1.369 COCCOc1ccc(cc1F)F 34a_100000230127_100011201679 [0,2,0,0,0,0|1,1,0]=4 14577 B13R1.369 COCCOc1ccc(cc1F)F 7a_100000230127_100000233755 [0,2,0,0,0,0|1,1,0]=4 14578 B13R1.369 COCCOc1ccc(cc1F)I 34a_100011356965_100011201679 [0,2,0,0,0,0|1,1,0]=4 14579 B13R1.369 COCCOc1ccc(cc1F)I 7a_100011356965_100000233755 [0,2,0,0,0,0|1,1,0]=4 14580 B13R1.369 COCCOc1ccc(cc1F)N 34a_100011220035_100011201679 [0,2,0,0,0,0|1,1,0]=4 14581 B13R1.369 COCCOc1ccc(cc1F)N 7a_100011220035_100000233755 [0,2,0,0,0,0|1,1,0]=4 14582 B13R1.369 COCCOc1ccc(cc1I)Br 34a_100012355227_100011201679 [0,2,0,0,0,0|1,1,0]=4 14583 B13R1.369 COCCOc1ccc(cc1I)Br 7a_100012355227_100000233755 [0,2,0,0,0,0|1,1,0]=4 14584 B13R1.369 COCCOc1ccc(cc1I)C 34a_100000765521_100011201679 [0,2,0,0,0,0|1,1,0]=4 14585 B13R1.369 COCCOc1ccc(cc1I)C 7a_100000765521_100000233755 [0,2,0,0,0,0|1,1,0]=4 14586 B13R1.369 COCCOc1ccc(cc1I)Cl 34a_100011356953_100011201679 [0,2,0,0,0,0|1,1,0]=4 14587 B13R1.369 COCCOc1ccc(cc1I)Cl 7a_100011356953_100000233755 [0,2,0,0,0,0|1,1,0]=4 14588 B13R1.369 COCCOc1ccc(cc1I)F 34a_100012355409_100011201679 [0,2,0,0,0,0|1,1,0]=4 14589 B13R1.369 COCCOc1ccc(cc1I)F 7a_100012355409_100000233755 [0,2,0,0,0,0|1,1,0]=4 14590 B13R1.369 COCCOc1ccc(cc1I)I 7a_100010001573_100000233755 [0,2,0,0,0,0|1,1,0]=4 14591 B13R1.369 COCCOc1ccc(cc1N)Br 34a_100000752626_100011201679 [0,2,0,0,0,0|2,0,0]=4 14592 B13R1.369 COCCOc1ccc(cc1N)Br 7a_100000752626_100000233755 [0,2,0,0,0,0|2,0,0]=4 14593 B13R1.369 COCCOc1ccc(cc1N)C 34a_100011215204_100011201679 [0,2,0,0,0,0|2,0,0]=4 14594 B13R1.369 COCCOc1ccc(cc1N)C 7a_100011215204_100000233755 [0,2,0,0,0,0|2,0,0]=4 14595 B13R1.369 COCCOc1ccc(cc1N)Cl 34a_100000210500_100011201679 [0,2,0,0,0,0|2,0,0]=4 14596 B13R1.369 COCCOc1ccc(cc1N)Cl 7a_100000210500_100000233755 [0,2,0,0,0,0|2,0,0]=4 14597 B13R1.369 COCCOc1ccc(cc1N)F 34a_100000759472_100011201679 [0,2,0,0,0,0|2,0,0]=4 14598 B13R1.369 COCCOc1ccc(cc1N)F 7a_100000759472_100000233755 [0,2,0,0,0,0|2,0,0]=4 14599 B13R1.369 COCCOc1ccc(cc1N)I 34a_100000753495_100011201679 [0,2,0,0,0,0|2,0,0]=4 14600 B13R1.369 COCCOc1ccc(cc1N)I 7a_100000753495_100000233755 [0,2,0,0,0,0|2,0,0]=4 14601 B13R1.369 COCCOc1ccc(cc1N)N 34a_100000725306_100011201679 [0,2,0,0,0,0|2,0,0]=4 14602 B13R1.369 COCCOc1ccc(cc1N)N 34a_100016991323_200000210301 [0,2,0,0,0,0|2,0,0]=4 14603 B13R1.369 COCCOc1ccc(nc1Cl)Br 34a_100010246206_100011201679 [0,2,0,0,0,0|2,0,0]=4 14604 B13R1.369 COCCOc1ccc(nc1Cl)Br 7a_100010246206_100000233755 [0,2,0,0,0,0|2,0,0]=4 14605 B13R1.369 COCCOc1ccc(nc1Cl)C 34a_100000086286_100011201679 [0,2,0,0,0,0|2,0,0]=4 14606 B13R1.369 COCCOc1ccc(nc1Cl)C 7a_100000086286_100000233755 [0,2,0,0,0,0|2,0,0]=4 14607 B13R1.369 COCCOc1ccc(nc1Cl)Cl 34a_100000101165_100011201679 [0,2,0,0,0,0|2,0,0]=4 14608 B13R1.369 COCCOc1ccc(nc1Cl)Cl 7a_100000101165_100000233755 [0,2,0,0,0,0|2,0,0]=4 14609 B13R1.369 COCCOc1ccc(nc1Cl)I 34a_100000721234_100011201679 [0,2,0,0,0,0|2,0,0]=4 14610 B13R1.369 COCCOc1ccc(nc1Cl)I 7a_100000721234_100000233755 [0,2,0,0,0,0|2,0,0]=4 14611 B13R1.369 COCCOc1cnc(cc1Cl)Cl 34a_100009868576_100011201679 [0,2,0,0,0,0|2,0,0]=4 14612 B13R1.369 COCCOc1cnc(cc1Cl)Cl 7a_100009868576_100000233755 [0,2,0,0,0,0|2,0,0]=4 14613 B13R1.369 COCCOc1ncc(cc1Cl)Br 34a_100012339560_100011201679 [0,2,0,0,0,0|2,0,0]=4 14614 B13R1.369 COCCOc1ncc(cc1Cl)F 34a_100009847679_100011201679 [0,2,0,0,0,0|2,0,0]=4 14615 B13R1.369 COCCSc1ccc(cc1Br)Br 62a_100000233755_100011484698 [0,2,0,0,0,0|1,1,0]=4 14616 B13R1.369 COCCSc1ccc(cc1Br)Br 62a_100011484698_100000233755 [0,2,0,0,0,0|1,1,0]=4 14617 B13R1.369 COCCSc1ccc(cc1Br)C 62a_100000233755_100009813563 [0,2,0,0,0,0|1,1,0]=4 14618 B13R1.369 COCCSc1ccc(cc1Br)C 62a_100009813563_100000233755 [0,2,0,0,0,0|1,1,0]=4 14619 B13R1.369 COCCSc1ccc(cc1Br)Cl 62a_100000233755_100011219703 [0,2,0,0,0,0|1,1,0]=4 14620 B13R1.369 COCCSc1ccc(cc1Br)Cl 62a_100011219703_100000233755 [0,2,0,0,0,0|1,1,0]=4 14621 B13R1.369 COCCSc1ccc(cc1Br)F 62a_100000233755_100011217111 [0,2,0,0,0,0|1,1,0]=4 14622 B13R1.369 COCCSc1ccc(cc1Br)F 62a_100011217111_100000233755 [0,2,0,0,0,0|1,1,0]=4 14623 B13R1.369 COCCSc1ccc(cc1Br)N 62a_100000233755_100000750458 [0,2,0,0,0,0|1,1,0]=4 14624 B13R1.369 COCCSc1ccc(cc1Br)N 62a_100000750458_100000233755 [0,2,0,0,0,0|1,1,0]=4 14625 B13R1.369 COCCSc1ccc(cc1Br)O 62a_100000233755_100000701344 [0,2,0,0,0,0|1,1,0]=4 14626 B13R1.369 COCCSc1ccc(cc1Br)O 62a_100000701344_100000233755 [0,2,0,0,0,0|1,1,0]=4 14627 B13R1.369 COCCSc1ccc(cc1C)Br 62a_100000233755_100000701812 [0,2,0,0,0,0|2,0,0]=4 14628 B13R1.369 COCCSc1ccc(cc1C)Br 62a_100000701812_100000233755 [0,2,0,0,0,0|2,0,0]=4 14629 B13R1.369 COCCSc1ccc(cc1C)C 62a_100000233755_100011217332 [0,2,0,0,0,0|2,0,0]=4 14630 B13R1.369 COCCSc1ccc(cc1C)C 62a_100011217332_100000233755 [0,2,0,0,0,0|2,0,0]=4 14631 B13R1.369 COCCSc1ccc(cc1C)Cl 62a_100000233755_100011219607 [0,2,0,0,0,0|2,0,0]=4 14632 B13R1.369 COCCSc1ccc(cc1C)Cl 62a_100011219607_100000233755 [0,2,0,0,0,0|2,0,0]=4 14633 B13R1.369 COCCSc1ccc(cc1C)F 62a_100000233755_100011205405 [0,2,0,0,0,0|2,0,0]=4 14634 B13R1.369 COCCSc1ccc(cc1C)F 62a_100011205405_100000233755 [0,2,0,0,0,0|2,0,0]=4 14635 B13R1.369 COCCSc1ccc(cc1C)N 62a_100000210723_100000233755 [0,2,0,0,0,0|2,0,0]=4 14636 B13R1.369 COCCSc1ccc(cc1C)N 62a_100000233755_100000210723 [0,2,0,0,0,0|2,0,0]=4 14637 B13R1.369 COCCSc1ccc(cc1C)O 62a_100000233755_100000690111 [0,2,0,0,0,0|2,0,0]=4 14638 B13R1.369 COCCSc1ccc(cc1Cl)Br 62a_100000233755_100011216062 [0,2,0,0,0,0|1,0,0]=3 14639 B13R1.369 COCCSc1ccc(cc1Cl)Br 62a_100011216062_100000233755 [0,2,0,0,0,0|1,0,0]=3 14640 B13R1.369 COCCSc1ccc(cc1Cl)C 62a_100000233755_100011263221 [0,2,0,0,0,0|1,0,0]=3 14641 B13R1.369 COCCSc1ccc(cc1Cl)C 62a_100011263221_100000233755 [0,2,0,0,0,0|1,0,0]=3 14642 B13R1.369 COCCSc1ccc(cc1Cl)Cl 34a_200010001942_200000210301 [0,2,0,0,0,0|1,0,0]=3 14643 B13R1.369 COCCSc1ccc(cc1Cl)Cl 62a_100000233755_100000699841 [0,2,0,0,0,0|1,0,0]=3 14644 B13R1.369 COCCSc1ccc(cc1Cl)Cl 62a_100000699841_100000233755 [0,2,0,0,0,0|1,0,0]=3 14645 B13R1.369 COCCSc1ccc(cc1Cl)Cl 7a_200010001942_200000210301 [0,2,0,0,0,0|1,0,0]=3 14646 B13R1.369 COCCSc1ccc(cc1Cl)F 62a_100000233755_100000733362 [0,2,0,0,0,0|1,0,0]=3 14647 B13R1.369 COCCSc1ccc(cc1Cl)F 62a_100000733362_100000233755 [0,2,0,0,0,0|1,0,0]=3 14648 B13R1.369 COCCSc1ccc(cc1Cl)N 62a_100000233755_100000761885 [0,2,0,0,0,0|1,0,0]=3 14649 B13R1.369 COCCSc1ccc(cc1Cl)N 62a_100000761885_100000233755 [0,2,0,0,0,0|1,0,0]=3 14650 B13R1.369 COCCSc1ccc(cc1Cl)O 62a_100000047559_100000233755 [0,2,0,0,0,0|1,0,0]=3 14651 B13R1.369 COCCSc1ccc(cc1Cl)O 62a_100000233755_100000047559 [0,2,0,0,0,0|1,0,0]=3 14652 B13R1.369 COCCSc1ccc(cc1F)Br 62a_100000233755_100009814013 [0,2,0,0,0,0|1,1,0]=4 14653 B13R1.369 COCCSc1ccc(cc1F)Br 62a_100009814013_100000233755 [0,2,0,0,0,0|1,1,0]=4 14654 B13R1.369 COCCSc1ccc(cc1F)C 62a_100000233755_100011216119 [0,2,0,0,0,0|1,1,0]=4 14655 B13R1.369 COCCSc1ccc(cc1F)C 62a_100011216119_100000233755 [0,2,0,0,0,0|1,1,0]=4 14656 B13R1.369 COCCSc1ccc(cc1F)Cl 62a_100000233755_100011216042 [0,2,0,0,0,0|1,1,0]=4 14657 B13R1.369 COCCSc1ccc(cc1F)Cl 62a_100011216042_100000233755 [0,2,0,0,0,0|1,1,0]=4 14658 B13R1.369 COCCSc1ccc(cc1F)F 34a_200000204339_200000210301 [0,2,0,0,0,0|1,1,0]=4 14659 B13R1.369 COCCSc1ccc(cc1F)F 62a_100000233755_100000750030 [0,2,0,0,0,0|1,1,0]=4 14660 B13R1.369 COCCSc1ccc(cc1F)F 62a_100000750030_100000233755 [0,2,0,0,0,0|1,1,0]=4 14661 B13R1.369 COCCSc1ccc(cc1F)F 7a_200000204339_200000210301 [0,2,0,0,0,0|1,1,0]=4 14662 B13R1.369 COCCSc1ccc(cc1F)N 62a_100000233755_100011356925 [0,2,0,0,0,0|1,1,0]=4 14663 B13R1.369 COCCSc1ccc(cc1F)N 62a_100011356925_100000233755 [0,2,0,0,0,0|1,1,0]=4 14664 B13R1.369 COCCSc1ccc(cc1F)O 62a_100000233755_100000755031 [0,2,0,0,0,0|1,1,0]=4 14665 B13R1.369 COCCSc1ccc(cc1F)O 62a_100000755031_100000233755 [0,2,0,0,0,0|1,1,0]=4 14666 B13R1.369 COCCSc1ccc(cc1N)Br 62a_100000233755_100000743836 [0,2,0,0,0,0|2,0,0]=4 14667 B13R1.369 COCCSc1ccc(cc1N)Br 62a_100000743836_100000233755 [0,2,0,0,0,0|2,0,0]=4 14668 B13R1.369 COCCSc1ccc(cc1N)C 62a_100000233755_100011216686 [0,2,0,0,0,0|2,0,0]=4 14669 B13R1.369 COCCSc1ccc(cc1N)C 62a_100011216686_100000233755 [0,2,0,0,0,0|2,0,0]=4 14670 B13R1.369 COCCSc1ccc(cc1N)Cl 62a_100000233755_100000761886 [0,2,0,0,0,0|2,0,0]=4 14671 B13R1.369 COCCSc1ccc(cc1N)Cl 62a_100000761886_100000233755 [0,2,0,0,0,0|2,0,0]=4 14672 B13R1.369 COCCSc1ccc(cc1N)F 62a_100000233755_100000687223 [0,2,0,0,0,0|2,0,0]=4 14673 B13R1.369 COCCSc1ccc(cc1N)F 62a_100000687223_100000233755 [0,2,0,0,0,0|2,0,0]=4 14674 B13R1.369 COCCSc1ccc(cc1N)N 62a_100000233755_200012175722 [0,2,0,0,0,0|2,0,0]=4 14675 B13R1.369 COCCSc1ccc(cc1N)N 62a_200012175722_100000233755 [0,2,0,0,0,0|2,0,0]=4 14676 B13R1.369 COCCSc1ccc(cc1N)O 62a_100000233755_100011999798 [0,2,0,0,0,0|2,0,0]=4 14677 B13R1.369 COCCSc1ccc(cc1N)O 62a_100011999798_100000233755 [0,2,0,0,0,0|2,0,0]=4 14678 B13R1.369 COCCSc1ccc(cc1O)Br 62a_100000233755_100012344904 [0,2,0,0,0,0|2,0,0]=4 14679 B13R1.369 COCCSc1ccc(cc1O)Br 62a_100012344904_100000233755 [0,2,0,0,0,0|2,0,0]=4 14680 B13R1.369 COCCSc1ccc(cc1O)C 62a_100000233755_100012002257 [0,2,0,0,0,0|2,0,0]=4 14681 B13R1.369 COCCSc1ccc(cc1O)C 62a_100012002257_100000233755 [0,2,0,0,0,0|2,0,0]=4 14682 B13R1.369 COCCSc1ccc(cc1O)Cl 62a_100000050036_100000233755 [0,2,0,0,0,0|2,0,0]=4 14683 B13R1.369 COCCSc1ccc(cc1O)Cl 62a_100000233755_100000050036 [0,2,0,0,0,0|2,0,0]=4 14684 B13R1.369 COCCSc1ccc(cc1O)F 62a_100000233755_100000690578 [0,2,0,0,0,0|2,0,0]=4 14685 B13R1.369 COCCSc1ccc(cc1O)F 62a_100000690578_100000233755 [0,2,0,0,0,0|2,0,0]=4 14686 B13R1.369 COCCSc1ccc(cc1O)O 62a_100000233755_100009813921 [0,2,0,0,0,0|2,0,0]=4 14687 B13R1.369 COCCSc1ccc(nc1Cl)Br 62a_100000233755_100010246183 [0,2,0,0,0,0|2,0,0]=4 14688 B13R1.369 COCCSc1ccc(nc1Cl)Br 62a_100010246183_100000233755 [0,2,0,0,0,0|2,0,0]=4 14689 B13R1.369 COCCSc1ccc(nc1Cl)Cl 62a_100000233755_100000043682 [0,2,0,0,0,0|2,0,0]=4 14690 B13R1.369 COCCSc1ccc(nc1Cl)N 62a_100000233755_100010270343 [0,2,0,0,0,0|2,0,0]=4 14691 B13R1.369 COCCSc1ccc(nc1Cl)N 62a_100010270343_100000233755 [0,2,0,0,0,0|2,0,0]=4 14692 B13R1.369 COCCSc1cnc(cc1Cl)Br 62a_100000233755_100010381092 [0,2,0,0,0,0|2,0,0]=4 14693 B13R1.369 COCCSc1cnc(cc1Cl)Br 62a_100010381092_100000233755 [0,2,0,0,0,0|2,0,0]=4 14694 B13R1.369 COCCSc1cnc(cc1Cl)Cl 62a_100000233755_100010200927 [0,2,0,0,0,0|2,0,0]=4 14695 B13R1.369 COCCSc1cnc(cc1Cl)Cl 62a_100010200927_100000233755 [0,2,0,0,0,0|2,0,0]=4 14696 B13R1.369 COCCSc1cnc(cc1Cl)N 62a_100000233755_100000694920 [0,2,0,0,0,0|2,0,0]=4 14697 B13R1.369 COCCSc1cnc(cc1Cl)N 62a_100000694920_100000233755 [0,2,0,0,0,0|2,0,0]=4 14698 B13R1.369 COCSCc1ccc(cc1Br)Br 62a_100000766300_200012351560 [0,2,0,0,0,0|1,1,0]=4 14699 B13R1.369 COCSCc1ccc(cc1Br)Br 62a_200012351560_100000766300 [0,2,0,0,0,0|1,1,0]=4 14700 B13R1.369 COCSCc1ccc(cc1Br)Cl 62a_100000755608_100000766300 [0,2,0,0,0,0|1,1,0]=4 14701 B13R1.369 COCSCc1ccc(cc1Br)Cl 62a_100000766300_100000755608 [0,2,0,0,0,0|1,1,0]=4 14702 B13R1.369 COCSCc1ccc(cc1Br)F 62a_100000243222_100000766300 [0,2,0,0,0,0|1,1,0]=4 14703 B13R1.369 COCSCc1ccc(cc1Br)F 62a_100000766300_100000243222 [0,2,0,0,0,0|1,1,0]=4 14704 B13R1.369 COCSCc1ccc(cc1Br)I 62a_100000766300_100010146610 [0,2,0,0,0,0|1,1,0]=4 14705 B13R1.369 COCSCc1ccc(cc1Br)I 62a_100010146610_100000766300 [0,2,0,0,0,0|1,1,0]=4 14706 B13R1.369 COCSCc1ccc(cc1C)Br 62a_100000708836_100000766300 [0,2,0,0,0,0|2,0,0]=4 14707 B13R1.369 COCSCc1ccc(cc1C)Br 62a_100000766300_100000708836 [0,2,0,0,0,0|2,0,0]=4 14708 B13R1.369 COCSCc1ccc(cc1C)C 62a_100000766300_100011219618 [0,2,0,0,0,0|2,0,0]=4 14709 B13R1.369 COCSCc1ccc(cc1C)C 62a_100011219618_100000766300 [0,2,0,0,0,0|2,0,0]=4 14710 B13R1.369 COCSCc1ccc(cc1C)Cl 62a_100000766300_100012361307 [0,2,0,0,0,0|2,0,0]=4 14711 B13R1.369 COCSCc1ccc(cc1C)Cl 62a_100012361307_100000766300 [0,2,0,0,0,0|2,0,0]=4 14712 B13R1.369 COCSCc1ccc(cc1C)F 62a_100000700533_100000766300 [0,2,0,0,0,0|2,0,0]=4 14713 B13R1.369 COCSCc1ccc(cc1C)F 62a_100000766300_100000700533 [0,2,0,0,0,0|2,0,0]=4 14714 B13R1.369 COCSCc1ccc(cc1Cl)Br 62a_100000766300_100011740631 [0,2,0,0,0,0|1,0,0]=3 14715 B13R1.369 COCSCc1ccc(cc1Cl)Br 62a_100011740631_100000766300 [0,2,0,0,0,0|1,0,0]=3 14716 B13R1.369 COCSCc1ccc(cc1Cl)C 62a_100000766300_100012349684 [0,2,0,0,0,0|1,0,0]=3 14717 B13R1.369 COCSCc1ccc(cc1Cl)C 62a_100012349684_100000766300 [0,2,0,0,0,0|1,0,0]=3 14718 B13R1.369 COCSCc1ccc(cc1Cl)Cl 62a_100000188473_100000766300 [0,2,0,0,0,0|1,0,0]=3 14719 B13R1.369 COCSCc1ccc(cc1Cl)Cl 62a_100000766300_100000188473 [0,2,0,0,0,0|1,0,0]=3 14720 B13R1.369 COCSCc1ccc(cc1Cl)F 62a_100000187853_100000766300 [0,2,0,0,0,0|1,0,0]=3 14721 B13R1.369 COCSCc1ccc(cc1Cl)F 62a_100000766300_100000187853 [0,2,0,0,0,0|1,0,0]=3 14722 B13R1.369 COCSCc1ccc(cc1F)Br 62a_100000211606_100000766300 [0,2,0,0,0,0|1,1,0]=4 14723 B13R1.369 COCSCc1ccc(cc1F)Br 62a_100000766300_100000211606 [0,2,0,0,0,0|1,1,0]=4 14724 B13R1.369 COCSCc1ccc(cc1F)C 62a_100000766300_100011217900 [0,2,0,0,0,0|1,1,0]=4 14725 B13R1.369 COCSCc1ccc(cc1F)C 62a_100011217900_100000766300 [0,2,0,0,0,0|1,1,0]=4 14726 B13R1.369 COCSCc1ccc(cc1F)Cl 62a_100000709361_100000766300 [0,2,0,0,0,0|1,1,0]=4 14727 B13R1.369 COCSCc1ccc(cc1F)Cl 62a_100000766300_100000709361 [0,2,0,0,0,0|1,1,0]=4 14728 B13R1.369 COCSCc1ccc(cc1F)F 62a_100000748237_100000766300 [0,2,0,0,0,0|1,1,0]=4 14729 B13R1.369 COCSCc1ccc(cc1F)F 62a_100000766300_100000748237 [0,2,0,0,0,0|1,1,0]=4 14730 B13R1.369 COCSCc1ccc(cc1F)I 62a_100000766300_100010244991 [0,2,0,0,0,0|1,1,0]=4 14731 B13R1.369 COCSCc1ccc(cc1F)I 62a_100010244991_100000766300 [0,2,0,0,0,0|1,1,0]=4 14732 B13R1.369 COCSCc1ccc(cc1I)Br 62a_100000766300_100010146615 [0,2,0,0,0,0|1,1,0]=4 14733 B13R1.369 COCSCc1ccc(cc1I)Br 62a_100010146615_100000766300 [0,2,0,0,0,0|1,1,0]=4 14734 B13R1.369 COCSCc1ccc(cc1I)Cl 62a_100000766300_100010254388 [0,2,0,0,0,0|1,1,0]=4 14735 B13R1.369 COCSCc1ccc(cc1I)Cl 62a_100010254388_100000766300 [0,2,0,0,0,0|1,1,0]=4 14736 B13R1.369 COCSCc1ccc(cc1I)F 62a_100000766300_100012354799 [0,2,0,0,0,0|1,1,0]=4 14737 B13R1.369 COCSCc1ccc(cc1I)F 62a_100012354799_100000766300 [0,2,0,0,0,0|1,1,0]=4 14738 B13R1.369 COCSCc1ccc(nc1Cl)Cl 62a_100000722033_100000766300 [0,2,0,0,0,0|2,0,0]=4 14739 B13R1.369 COCSCc1ccc(nc1Cl)Cl 62a_100000766300_100000722033 [0,2,0,0,0,0|2,0,0]=4 14740 B13R1.369 COCSCc1cnc(cc1Cl)Cl 62a_100000766300_100011997056 [0,2,0,0,0,0|2,0,0]=4 14741 B13R1.369 COCSCc1cnc(cc1Cl)Cl 62a_100011997056_100000766300 [0,2,0,0,0,0|2,0,0]=4 14742 B13R1.369 CSCCNc1ccc(cc1Br)Br 34a_100000211012_100000212216 [0,2,0,0,0,0|1,1,0]=4 14743 B13R1.369 CSCCNc1ccc(cc1Br)C 34a_100000210942_100000212216 [0,2,0,0,0,0|1,1,0]=4 14744 B13R1.369 CSCCNc1ccc(cc1Br)Cl 34a_100000752454_100000212216 [0,2,0,0,0,0|1,1,0]=4 14745 B13R1.369 CSCCNc1ccc(cc1Br)F 34a_100000738039_100000212216 [0,2,0,0,0,0|1,1,0]=4 14746 B13R1.369 CSCCNc1ccc(cc1Br)O 34a_100012001276_100000212216 [0,2,0,0,0,0|1,1,0]=4 14747 B13R1.369 CSCCNc1ccc(cc1C)Br 34a_100000211769_100000212216 [0,2,0,0,0,0|2,0,0]=4 14748 B13R1.369 CSCCNc1ccc(cc1C)Br 7a_100000211769_100000212216 [0,2,0,0,0,0|2,0,0]=4 14749 B13R1.369 CSCCNc1ccc(cc1C)C 34a_100000736561_100000212216 [0,2,0,0,0,0|2,0,0]=4 14750 B13R1.369 CSCCNc1ccc(cc1C)C 7a_100000736561_100000212216 [0,2,0,0,0,0|2,0,0]=4 14751 B13R1.369 CSCCNc1ccc(cc1C)Cl 34a_100000210418_100000212216 [0,2,0,0,0,0|2,0,0]=4 14752 B13R1.369 CSCCNc1ccc(cc1C)Cl 7a_100000210418_100000212216 [0,2,0,0,0,0|2,0,0]=4 14753 B13R1.369 CSCCNc1ccc(cc1C)F 34a_100000211637_100000212216 [0,2,0,0,0,0|2,0,0]=4 14754 B13R1.369 CSCCNc1ccc(cc1C)F 7a_100000211637_100000212216 [0,2,0,0,0,0|2,0,0]=4 14755 B13R1.369 CSCCNc1ccc(cc1C)I 34a_100000184554_100000212216 [0,2,0,0,0,0|2,0,0]=4 14756 B13R1.369 CSCCNc1ccc(cc1C)I 7a_100000184554_100000212216 [0,2,0,0,0,0|2,0,0]=4 14757 B13R1.369 CSCCNc1ccc(cc1C)O 34a_100000756630_100000212216 [0,2,0,0,0,0|2,0,0]=4 14758 B13R1.369 CSCCNc1ccc(cc1Cl)Br 34a_100000211467_100000212216 [0,2,0,0,0,0|1,0,0]=3 14759 B13R1.369 CSCCNc1ccc(cc1Cl)C 34a_100000210522_100000212216 [0,2,0,0,0,0|1,0,0]=3 14760 B13R1.369 CSCCNc1ccc(cc1Cl)Cl 34a_100000185861_100000212216 [0,2,0,0,0,0|1,0,0]=3 14761 B13R1.369 CSCCNc1ccc(cc1Cl)F 34a_100000212003_100000212216 [0,2,0,0,0,0|1,0,0]=3 14762 B13R1.369 CSCCNc1ccc(cc1Cl)I 34a_100011218065_100000212216 [0,2,0,0,0,0|1,0,0]=3 14763 B13R1.369 CSCCNc1ccc(cc1Cl)O 34a_100011215599_100000212216 [0,2,0,0,0,0|1,0,0]=3 14764 B13R1.369 CSCCNc1ccc(cc1F)Br 34a_100000210722_100000212216 [0,2,0,0,0,0|1,1,0]=4 14765 B13R1.369 CSCCNc1ccc(cc1F)C 34a_100000211023_100000212216 [0,2,0,0,0,0|1,1,0]=4 14766 B13R1.369 CSCCNc1ccc(cc1F)Cl 34a_100000211020_100000212216 [0,2,0,0,0,0|1,1,0]=4 14767 B13R1.369 CSCCNc1ccc(cc1F)F 34a_100000210720_100000212216 [0,2,0,0,0,0|1,1,0]=4 14768 B13R1.369 CSCCNc1ccc(cc1F)I 34a_100011215594_100000212216 [0,2,0,0,0,0|1,1,0]=4 14769 B13R1.369 CSCCNc1ccc(cc1F)O 34a_100000759473_100000212216 [0,2,0,0,0,0|1,1,0]=4 14770 B13R1.369 CSCCNc1ccc(cc1I)Br 34a_100000187925_100000212216 [0,2,0,0,0,0|1,1,0]=4 14771 B13R1.369 CSCCNc1ccc(cc1I)C 34a_100011356834_100000212216 [0,2,0,0,0,0|1,1,0]=4 14772 B13R1.369 CSCCNc1ccc(cc1I)Cl 34a_100000761889_100000212216 [0,2,0,0,0,0|1,1,0]=4 14773 B13R1.369 CSCCNc1ccc(cc1I)F 34a_100000760547_100000212216 [0,2,0,0,0,0|1,1,0]=4 14774 B13R1.369 CSCCNc1ccc(cc1I)O 34a_100010084370_100000212216 [0,2,0,0,0,0|1,1,0]=4 14775 B13R1.369 CSCCNc1ccc(cc1O)Br 34a_100000739049_100000212216 [0,2,0,0,0,0|2,0,0]=4 14776 B13R1.369 CSCCNc1ccc(cc1O)C 34a_100000211527_100000212216 [0,2,0,0,0,0|2,0,0]=4 14777 B13R1.369 CSCCNc1ccc(cc1O)Cl 34a_100000185728_100000212216 [0,2,0,0,0,0|2,0,0]=4 14778 B13R1.369 CSCCNc1ccc(cc1O)F 34a_100000753323_100000212216 [0,2,0,0,0,0|2,0,0]=4 14779 B13R1.369 CSCCNc1ccc(cc1O)O 34a_100000106777_100000212216 [0,2,0,0,0,0|2,0,0]=4 14780 B13R1.369 CSCCOc1ccc(cc1Br)Br 34a_100000188717_100000212216 [0,2,0,0,0,0|1,1,0]=4 14781 B13R1.369 CSCCOc1ccc(cc1Br)Br 7a_100000188717_100000212216 [0,2,0,0,0,0|1,1,0]=4 14782 B13R1.369 CSCCOc1ccc(cc1Br)C 34a_100000210800_100000212216 [0,2,0,0,0,0|1,1,0]=4 14783 B13R1.369 CSCCOc1ccc(cc1Br)C 7a_100000210800_100000212216 [0,2,0,0,0,0|1,1,0]=4 14784 B13R1.369 CSCCOc1ccc(cc1Br)Cl 34a_100000211998_100000212216 [0,2,0,0,0,0|1,1,0]=4 14785 B13R1.369 CSCCOc1ccc(cc1Br)Cl 62a_100000199037_200000210301 [0,2,0,0,0,0|1,1,0]=4 14786 B13R1.369 CSCCOc1ccc(cc1Br)Cl 62a_200000210301_100000199037 [0,2,0,0,0,0|1,1,0]=4 14787 B13R1.369 CSCCOc1ccc(cc1Br)Cl 7a_100000211998_100000212216 [0,2,0,0,0,0|1,1,0]=4 14788 B13R1.369 CSCCOc1ccc(cc1Br)F 34a_100000211999_100000212216 [0,2,0,0,0,0|1,1,0]=4 14789 B13R1.369 CSCCOc1ccc(cc1Br)F 7a_100000211999_100000212216 [0,2,0,0,0,0|1,1,0]=4 14790 B13R1.369 CSCCOc1ccc(cc1Br)I 34a_100012361655_100000212216 [0,2,0,0,0,0|1,1,0]=4 14791 B13R1.369 CSCCOc1ccc(cc1Br)I 7a_100012361655_100000212216 [0,2,0,0,0,0|1,1,0]=4 14792 B13R1.369 CSCCOc1ccc(cc1Br)N 34a_100011534360_100000212216 [0,2,0,0,0,0|1,1,0]=4 14793 B13R1.369 CSCCOc1ccc(cc1Br)N 7a_100011534360_100000212216 [0,2,0,0,0,0|1,1,0]=4 14794 B13R1.369 CSCCOc1ccc(cc1C)Br 34a_100000186361_100000212216 [0,2,0,0,0,0|2,0,0]=4 14795 B13R1.369 CSCCOc1ccc(cc1C)Br 7a_100000186361_100000212216 [0,2,0,0,0,0|2,0,0]=4 14796 B13R1.369 CSCCOc1ccc(cc1C)C 34a_100000211776_100000212216 [0,2,0,0,0,0|2,0,0]=4 14797 B13R1.369 CSCCOc1ccc(cc1C)C 62a_100011210784_200000210301 [0,2,0,0,0,0|2,0,0]=4 14798 B13R1.369 CSCCOc1ccc(cc1C)C 62a_200000210301_100011210784 [0,2,0,0,0,0|2,0,0]=4 14799 B13R1.369 CSCCOc1ccc(cc1C)C 7a_100000211776_100000212216 [0,2,0,0,0,0|2,0,0]=4 14800 B13R1.369 CSCCOc1ccc(cc1C)Cl 34a_100000211091_100000212216 [0,2,0,0,0,0|2,0,0]=4 14801 B13R1.369 CSCCOc1ccc(cc1C)Cl 7a_100000211091_100000212216 [0,2,0,0,0,0|2,0,0]=4 14802 B13R1.369 CSCCOc1ccc(cc1C)F 34a_100000764316_100000212216 [0,2,0,0,0,0|2,0,0]=4 14803 B13R1.369 CSCCOc1ccc(cc1C)F 7a_100000764316_100000212216 [0,2,0,0,0,0|2,0,0]=4 14804 B13R1.369 CSCCOc1ccc(cc1C)I 34a_100011218673_100000212216 [0,2,0,0,0,0|2,0,0]=4 14805 B13R1.369 CSCCOc1ccc(cc1C)I 7a_100011218673_100000212216 [0,2,0,0,0,0|2,0,0]=4 14806 B13R1.369 CSCCOc1ccc(cc1C)N 34a_100011218179_100000212216 [0,2,0,0,0,0|2,0,0]=4 14807 B13R1.369 CSCCOc1ccc(cc1C)N 7a_100011218179_100000212216 [0,2,0,0,0,0|2,0,0]=4 14808 B13R1.369 CSCCOc1ccc(cc1Cl)Br 34a_100000186472_100000212216 [0,2,0,0,0,0|1,0,0]=3 14809 B13R1.369 CSCCOc1ccc(cc1Cl)Br 7a_100000186472_100000212216 [0,2,0,0,0,0|1,0,0]=3 14810 B13R1.369 CSCCOc1ccc(cc1Cl)C 34a_100000749699_100000212216 [0,2,0,0,0,0|1,0,0]=3 14811 B13R1.369 CSCCOc1ccc(cc1Cl)C 7a_100000749699_100000212216 [0,2,0,0,0,0|1,0,0]=3 14812 B13R1.369 CSCCOc1ccc(cc1Cl)Cl 34a_100015191787_100000212216 [0,2,0,0,0,0|1,0,0]=3 14813 B13R1.369 CSCCOc1ccc(cc1Cl)Cl 62a_100000184432_200000210301 [0,2,0,0,0,0|1,0,0]=3 14814 B13R1.369 CSCCOc1ccc(cc1Cl)Cl 62a_200000210301_100000184432 [0,2,0,0,0,0|1,0,0]=3 14815 B13R1.369 CSCCOc1ccc(cc1Cl)Cl 7a_100015191787_100000212216 [0,2,0,0,0,0|1,0,0]=3 14816 B13R1.369 CSCCOc1ccc(cc1Cl)F 34a_100000212004_100000212216 [0,2,0,0,0,0|1,0,0]=3 14817 B13R1.369 CSCCOc1ccc(cc1Cl)F 7a_100000212004_100000212216 [0,2,0,0,0,0|1,0,0]=3 14818 B13R1.369 CSCCOc1ccc(cc1Cl)I 34a_100012360047_100000212216 [0,2,0,0,0,0|1,0,0]=3 14819 B13R1.369 CSCCOc1ccc(cc1Cl)I 7a_100012360047_100000212216 [0,2,0,0,0,0|1,0,0]=3 14820 B13R1.369 CSCCOc1ccc(cc1Cl)N 34a_100000744943_100000212216 [0,2,0,0,0,0|1,0,0]=3 14821 B13R1.369 CSCCOc1ccc(cc1Cl)N 7a_100000744943_100000212216 [0,2,0,0,0,0|1,0,0]=3 14822 B13R1.369 CSCCOc1ccc(cc1F)Br 34a_100000185481_100000212216 [0,2,0,0,0,0|1,1,0]=4 14823 B13R1.369 CSCCOc1ccc(cc1F)Br 7a_100000185481_100000212216 [0,2,0,0,0,0|1,1,0]=4 14824 B13R1.369 CSCCOc1ccc(cc1F)C 34a_100011216688_100000212216 [0,2,0,0,0,0|1,1,0]=4 14825 B13R1.369 CSCCOc1ccc(cc1F)C 7a_100011216688_100000212216 [0,2,0,0,0,0|1,1,0]=4 14826 B13R1.369 CSCCOc1ccc(cc1F)Cl 34a_100000230166_100000212216 [0,2,0,0,0,0|1,1,0]=4 14827 B13R1.369 CSCCOc1ccc(cc1F)Cl 7a_100000230166_100000212216 [0,2,0,0,0,0|1,1,0]=4 14828 B13R1.369 CSCCOc1ccc(cc1F)F 34a_100000230127_100000212216 [0,2,0,0,0,0|1,1,0]=4 14829 B13R1.369 CSCCOc1ccc(cc1F)F 7a_100000230127_100000212216 [0,2,0,0,0,0|1,1,0]=4 14830 B13R1.369 CSCCOc1ccc(cc1F)I 34a_100011356965_100000212216 [0,2,0,0,0,0|1,1,0]=4 14831 B13R1.369 CSCCOc1ccc(cc1F)I 7a_100011356965_100000212216 [0,2,0,0,0,0|1,1,0]=4 14832 B13R1.369 CSCCOc1ccc(cc1F)N 34a_100011220035_100000212216 [0,2,0,0,0,0|1,1,0]=4 14833 B13R1.369 CSCCOc1ccc(cc1F)N 7a_100011220035_100000212216 [0,2,0,0,0,0|1,1,0]=4 14834 B13R1.369 CSCCOc1ccc(cc1I)Br 34a_100012355227_100000212216 [0,2,0,0,0,0|1,1,0]=4 14835 B13R1.369 CSCCOc1ccc(cc1I)Br 7a_100012355227_100000212216 [0,2,0,0,0,0|1,1,0]=4 14836 B13R1.369 CSCCOc1ccc(cc1I)C 34a_100000765521_100000212216 [0,2,0,0,0,0|1,1,0]=4 14837 B13R1.369 CSCCOc1ccc(cc1I)C 7a_100000765521_100000212216 [0,2,0,0,0,0|1,1,0]=4 14838 B13R1.369 CSCCOc1ccc(cc1I)Cl 34a_100011356953_100000212216 [0,2,0,0,0,0|1,1,0]=4 14839 B13R1.369 CSCCOc1ccc(cc1I)Cl 7a_100011356953_100000212216 [0,2,0,0,0,0|1,1,0]=4 14840 B13R1.369 CSCCOc1ccc(cc1I)F 34a_100012355409_100000212216 [0,2,0,0,0,0|1,1,0]=4 14841 B13R1.369 CSCCOc1ccc(cc1I)F 7a_100012355409_100000212216 [0,2,0,0,0,0|1,1,0]=4 14842 B13R1.369 CSCCOc1ccc(cc1I)I 7a_100010001573_100000212216 [0,2,0,0,0,0|1,1,0]=4 14843 B13R1.369 CSCCOc1ccc(cc1N)Br 34a_100000752626_100000212216 [0,2,0,0,0,0|2,0,0]=4 14844 B13R1.369 CSCCOc1ccc(cc1N)Br 7a_100000752626_100000212216 [0,2,0,0,0,0|2,0,0]=4 14845 B13R1.369 CSCCOc1ccc(cc1N)C 34a_100011215204_100000212216 [0,2,0,0,0,0|2,0,0]=4 14846 B13R1.369 CSCCOc1ccc(cc1N)C 7a_100011215204_100000212216 [0,2,0,0,0,0|2,0,0]=4 14847 B13R1.369 CSCCOc1ccc(cc1N)Cl 34a_100000210500_100000212216 [0,2,0,0,0,0|2,0,0]=4 14848 B13R1.369 CSCCOc1ccc(cc1N)Cl 7a_100000210500_100000212216 [0,2,0,0,0,0|2,0,0]=4 14849 B13R1.369 CSCCOc1ccc(cc1N)F 34a_100000759472_100000212216 [0,2,0,0,0,0|2,0,0]=4 14850 B13R1.369 CSCCOc1ccc(cc1N)F 7a_100000759472_100000212216 [0,2,0,0,0,0|2,0,0]=4 14851 B13R1.369 CSCCOc1ccc(cc1N)I 34a_100000753495_100000212216 [0,2,0,0,0,0|2,0,0]=4 14852 B13R1.369 CSCCOc1ccc(cc1N)I 7a_100000753495_100000212216 [0,2,0,0,0,0|2,0,0]=4 14853 B13R1.369 CSCCOc1ccc(cc1N)N 34a_100000725306_100000212216 [0,2,0,0,0,0|2,0,0]=4 14854 B13R1.369 CSCCOc1ccc(nc1Cl)Br 34a_100010246206_100000212216 [0,2,0,0,0,0|2,0,0]=4 14855 B13R1.369 CSCCOc1ccc(nc1Cl)Br 7a_100010246206_100000212216 [0,2,0,0,0,0|2,0,0]=4 14856 B13R1.369 CSCCOc1ccc(nc1Cl)C 34a_100000086286_100000212216 [0,2,0,0,0,0|2,0,0]=4 14857 B13R1.369 CSCCOc1ccc(nc1Cl)C 7a_100000086286_100000212216 [0,2,0,0,0,0|2,0,0]=4 14858 B13R1.369 CSCCOc1ccc(nc1Cl)Cl 34a_100000101165_100000212216 [0,2,0,0,0,0|2,0,0]=4 14859 B13R1.369 CSCCOc1ccc(nc1Cl)Cl 7a_100000101165_100000212216 [0,2,0,0,0,0|2,0,0]=4 14860 B13R1.369 CSCCOc1ccc(nc1Cl)I 34a_100000721234_100000212216 [0,2,0,0,0,0|2,0,0]=4 14861 B13R1.369 CSCCOc1ccc(nc1Cl)I 7a_100000721234_100000212216 [0,2,0,0,0,0|2,0,0]=4 14862 B13R1.369 CSCCOc1cnc(cc1Cl)Cl 34a_100009868576_100000212216 [0,2,0,0,0,0|2,0,0]=4 14863 B13R1.369 CSCCOc1cnc(cc1Cl)Cl 7a_100009868576_100000212216 [0,2,0,0,0,0|2,0,0]=4 14864 B13R1.369 CSCCOc1ncc(cc1Cl)Br 34a_100012339560_100000212216 [0,2,0,0,0,0|2,0,0]=4 14865 B13R1.369 CSCCOc1ncc(cc1Cl)F 34a_100009847679_100000212216 [0,2,0,0,0,0|2,0,0]=4 14866 B13R1.369 CSCCSc1ccc(cc1Br)Br 62a_100000212216_100011484698 [0,2,0,0,0,0|1,1,0]=4 14867 B13R1.369 CSCCSc1ccc(cc1Br)Br 62a_100011484698_100000751147 [0,2,0,0,0,0|1,1,0]=4 14868 B13R1.369 CSCCSc1ccc(cc1Br)C 62a_100000212216_100009813563 [0,2,0,0,0,0|1,1,0]=4 14869 B13R1.369 CSCCSc1ccc(cc1Br)C 62a_100009813563_100000751147 [0,2,0,0,0,0|1,1,0]=4 14870 B13R1.369 CSCCSc1ccc(cc1Br)Cl 62a_100000212216_100011219703 [0,2,0,0,0,0|1,1,0]=4 14871 B13R1.369 CSCCSc1ccc(cc1Br)Cl 62a_100011219703_100000751147 [0,2,0,0,0,0|1,1,0]=4 14872 B13R1.369 CSCCSc1ccc(cc1Br)F 62a_100000212216_100011217111 [0,2,0,0,0,0|1,1,0]=4 14873 B13R1.369 CSCCSc1ccc(cc1Br)F 62a_100011217111_100000751147 [0,2,0,0,0,0|1,1,0]=4 14874 B13R1.369 CSCCSc1ccc(cc1Br)N 62a_100000212216_100000750458 [0,2,0,0,0,0|1,1,0]=4 14875 B13R1.369 CSCCSc1ccc(cc1Br)N 62a_100000750458_100000751147 [0,2,0,0,0,0|1,1,0]=4 14876 B13R1.369 CSCCSc1ccc(cc1Br)O 62a_100000212216_100000701344 [0,2,0,0,0,0|1,1,0]=4 14877 B13R1.369 CSCCSc1ccc(cc1Br)O 62a_100000701344_100000751147 [0,2,0,0,0,0|1,1,0]=4 14878 B13R1.369 CSCCSc1ccc(cc1C)Br 62a_100000212216_100000701812 [0,2,0,0,0,0|2,0,0]=4 14879 B13R1.369 CSCCSc1ccc(cc1C)Br 62a_100000701812_100000751147 [0,2,0,0,0,0|2,0,0]=4 14880 B13R1.369 CSCCSc1ccc(cc1C)C 62a_100000212216_100011217332 [0,2,0,0,0,0|2,0,0]=4 14881 B13R1.369 CSCCSc1ccc(cc1C)C 62a_100011217332_100000751147 [0,2,0,0,0,0|2,0,0]=4 14882 B13R1.369 CSCCSc1ccc(cc1C)Cl 62a_100000212216_100011219607 [0,2,0,0,0,0|2,0,0]=4 14883 B13R1.369 CSCCSc1ccc(cc1C)Cl 62a_100011219607_100000751147 [0,2,0,0,0,0|2,0,0]=4 14884 B13R1.369 CSCCSc1ccc(cc1C)F 62a_100000212216_100011205405 [0,2,0,0,0,0|2,0,0]=4 14885 B13R1.369 CSCCSc1ccc(cc1C)F 62a_100011205405_100000751147 [0,2,0,0,0,0|2,0,0]=4 14886 B13R1.369 CSCCSc1ccc(cc1C)N 62a_100000210723_100000751147 [0,2,0,0,0,0|2,0,0]=4 14887 B13R1.369 CSCCSc1ccc(cc1C)N 62a_100000212216_100000210723 [0,2,0,0,0,0|2,0,0]=4 14888 B13R1.369 CSCCSc1ccc(cc1C)O 62a_100000212216_100000690111 [0,2,0,0,0,0|2,0,0]=4 14889 B13R1.369 CSCCSc1ccc(cc1Cl)Br 62a_100000212216_100011216062 [0,2,0,0,0,0|1,0,0]=3 14890 B13R1.369 CSCCSc1ccc(cc1Cl)Br 62a_100011216062_100000751147 [0,2,0,0,0,0|1,0,0]=3 14891 B13R1.369 CSCCSc1ccc(cc1Cl)C 62a_100000212216_100011263221 [0,2,0,0,0,0|1,0,0]=3 14892 B13R1.369 CSCCSc1ccc(cc1Cl)C 62a_100011263221_100000751147 [0,2,0,0,0,0|1,0,0]=3 14893 B13R1.369 CSCCSc1ccc(cc1Cl)Cl 62a_100000212216_100000699841 [0,2,0,0,0,0|1,0,0]=3 14894 B13R1.369 CSCCSc1ccc(cc1Cl)Cl 62a_100000699841_100000751147 [0,2,0,0,0,0|1,0,0]=3 14895 B13R1.369 CSCCSc1ccc(cc1Cl)F 62a_100000212216_100000733362 [0,2,0,0,0,0|1,0,0]=3 14896 B13R1.369 CSCCSc1ccc(cc1Cl)F 62a_100000733362_100000751147 [0,2,0,0,0,0|1,0,0]=3 14897 B13R1.369 CSCCSc1ccc(cc1Cl)N 62a_100000212216_100000761885 [0,2,0,0,0,0|1,0,0]=3 14898 B13R1.369 CSCCSc1ccc(cc1Cl)N 62a_100000761885_100000751147 [0,2,0,0,0,0|1,0,0]=3 14899 B13R1.369 CSCCSc1ccc(cc1Cl)O 62a_100000047559_100000751147 [0,2,0,0,0,0|1,0,0]=3 14900 B13R1.369 CSCCSc1ccc(cc1Cl)O 62a_100000212216_100000047559 [0,2,0,0,0,0|1,0,0]=3 14901 B13R1.369 CSCCSc1ccc(cc1F)Br 62a_100000212216_100009814013 [0,2,0,0,0,0|1,1,0]=4 14902 B13R1.369 CSCCSc1ccc(cc1F)Br 62a_100009814013_100000751147 [0,2,0,0,0,0|1,1,0]=4 14903 B13R1.369 CSCCSc1ccc(cc1F)C 62a_100000212216_100011216119 [0,2,0,0,0,0|1,1,0]=4 14904 B13R1.369 CSCCSc1ccc(cc1F)C 62a_100011216119_100000751147 [0,2,0,0,0,0|1,1,0]=4 14905 B13R1.369 CSCCSc1ccc(cc1F)Cl 62a_100000212216_100011216042 [0,2,0,0,0,0|1,1,0]=4 14906 B13R1.369 CSCCSc1ccc(cc1F)Cl 62a_100011216042_100000751147 [0,2,0,0,0,0|1,1,0]=4 14907 B13R1.369 CSCCSc1ccc(cc1F)F 62a_100000212216_100000750030 [0,2,0,0,0,0|1,1,0]=4 14908 B13R1.369 CSCCSc1ccc(cc1F)F 62a_100000750030_100000751147 [0,2,0,0,0,0|1,1,0]=4 14909 B13R1.369 CSCCSc1ccc(cc1F)N 62a_100000212216_100011356925 [0,2,0,0,0,0|1,1,0]=4 14910 B13R1.369 CSCCSc1ccc(cc1F)N 62a_100011356925_100000751147 [0,2,0,0,0,0|1,1,0]=4 14911 B13R1.369 CSCCSc1ccc(cc1F)O 62a_100000212216_100000755031 [0,2,0,0,0,0|1,1,0]=4 14912 B13R1.369 CSCCSc1ccc(cc1F)O 62a_100000755031_100000751147 [0,2,0,0,0,0|1,1,0]=4 14913 B13R1.369 CSCCSc1ccc(cc1N)Br 62a_100000212216_100000743836 [0,2,0,0,0,0|2,0,0]=4 14914 B13R1.369 CSCCSc1ccc(cc1N)Br 62a_100000743836_100000751147 [0,2,0,0,0,0|2,0,0]=4 14915 B13R1.369 CSCCSc1ccc(cc1N)C 62a_100000212216_100011216686 [0,2,0,0,0,0|2,0,0]=4 14916 B13R1.369 CSCCSc1ccc(cc1N)C 62a_100011216686_100000751147 [0,2,0,0,0,0|2,0,0]=4 14917 B13R1.369 CSCCSc1ccc(cc1N)Cl 62a_100000212216_100000761886 [0,2,0,0,0,0|2,0,0]=4 14918 B13R1.369 CSCCSc1ccc(cc1N)Cl 62a_100000761886_100000751147 [0,2,0,0,0,0|2,0,0]=4 14919 B13R1.369 CSCCSc1ccc(cc1N)F 62a_100000212216_100000687223 [0,2,0,0,0,0|2,0,0]=4 14920 B13R1.369 CSCCSc1ccc(cc1N)F 62a_100000687223_100000751147 [0,2,0,0,0,0|2,0,0]=4 14921 B13R1.369 CSCCSc1ccc(cc1N)N 62a_100000212216_200012175722 [0,2,0,0,0,0|2,0,0]=4 14922 B13R1.369 CSCCSc1ccc(cc1N)N 62a_200012175722_100000751147 [0,2,0,0,0,0|2,0,0]=4 14923 B13R1.369 CSCCSc1ccc(cc1N)O 62a_100000212216_100011999798 [0,2,0,0,0,0|2,0,0]=4 14924 B13R1.369 CSCCSc1ccc(cc1N)O 62a_100011999798_100000751147 [0,2,0,0,0,0|2,0,0]=4 14925 B13R1.369 CSCCSc1ccc(cc1O)Br 62a_100000212216_100012344904 [0,2,0,0,0,0|2,0,0]=4 14926 B13R1.369 CSCCSc1ccc(cc1O)Br 62a_100012344904_100000751147 [0,2,0,0,0,0|2,0,0]=4 14927 B13R1.369 CSCCSc1ccc(cc1O)C 62a_100000212216_100012002257 [0,2,0,0,0,0|2,0,0]=4 14928 B13R1.369 CSCCSc1ccc(cc1O)C 62a_100012002257_100000751147 [0,2,0,0,0,0|2,0,0]=4 14929 B13R1.369 CSCCSc1ccc(cc1O)Cl 62a_100000050036_100000751147 [0,2,0,0,0,0|2,0,0]=4 14930 B13R1.369 CSCCSc1ccc(cc1O)Cl 62a_100000212216_100000050036 [0,2,0,0,0,0|2,0,0]=4 14931 B13R1.369 CSCCSc1ccc(cc1O)F 62a_100000212216_100000690578 [0,2,0,0,0,0|2,0,0]=4 14932 B13R1.369 CSCCSc1ccc(cc1O)F 62a_100000690578_100000751147 [0,2,0,0,0,0|2,0,0]=4 14933 B13R1.369 CSCCSc1ccc(cc1O)O 62a_100000212216_100009813921 [0,2,0,0,0,0|2,0,0]=4 14934 B13R1.369 CSCCSc1ccc(nc1Cl)Br 62a_100000212216_100010246183 [0,2,0,0,0,0|2,0,0]=4 14935 B13R1.369 CSCCSc1ccc(nc1Cl)Br 62a_100010246183_100000751147 [0,2,0,0,0,0|2,0,0]=4 14936 B13R1.369 CSCCSc1ccc(nc1Cl)Cl 62a_100000212216_100000043682 [0,2,0,0,0,0|2,0,0]=4 14937 B13R1.369 CSCCSc1ccc(nc1Cl)N 62a_100000212216_100010270343 [0,2,0,0,0,0|2,0,0]=4 14938 B13R1.369 CSCCSc1ccc(nc1Cl)N 62a_100010270343_100000751147 [0,2,0,0,0,0|2,0,0]=4 14939 B13R1.369 CSCCSc1cnc(cc1Cl)Br 62a_100000212216_100010381092 [0,2,0,0,0,0|2,0,0]=4 14940 B13R1.369 CSCCSc1cnc(cc1Cl)Br 62a_100010381092_100000751147 [0,2,0,0,0,0|2,0,0]=4 14941 B13R1.369 CSCCSc1cnc(cc1Cl)Cl 62a_100000212216_100010200927 [0,2,0,0,0,0|2,0,0]=4 14942 B13R1.369 CSCCSc1cnc(cc1Cl)Cl 62a_100010200927_100000751147 [0,2,0,0,0,0|2,0,0]=4 14943 B13R1.369 CSCCSc1cnc(cc1Cl)N 62a_100000212216_100000694920 [0,2,0,0,0,0|2,0,0]=4 14944 B13R1.369 CSCCSc1cnc(cc1Cl)N 62a_100000694920_100000751147 [0,2,0,0,0,0|2,0,0]=4 14945 B13R1.369 CSCNCc1ccc(cc1Br)Cl 34a_100102692131_100011218213 [0,2,0,0,0,0|1,1,0]=4 14946 B13R1.369 CSCNCc1ccc(cc1Br)F 34a_100000708791_100011218213 [0,2,0,0,0,0|1,1,0]=4 14947 B13R1.369 CSCNCc1ccc(cc1C)Br 34a_100000753881_100011218213 [0,2,0,0,0,0|2,0,0]=4 14948 B13R1.369 CSCNCc1ccc(cc1C)C 34a_100000737523_100011218213 [0,2,0,0,0,0|2,0,0]=4 14949 B13R1.369 CSCNCc1ccc(cc1C)Cl 34a_103436540063_100011218213 [0,2,0,0,0,0|2,0,0]=4 14950 B13R1.369 CSCNCc1ccc(cc1C)F 34a_100137329023_100011218213 [0,2,0,0,0,0|2,0,0]=4 14951 B13R1.369 CSCNCc1ccc(cc1Cl)Br 34a_100020628970_100011218213 [0,2,0,0,0,0|1,0,0]=3 14952 B13R1.369 CSCNCc1ccc(cc1Cl)C 34a_100011997539_100011218213 [0,2,0,0,0,0|1,0,0]=3 14953 B13R1.369 CSCNCc1ccc(cc1Cl)Cl 34a_100000174880_100011218213 [0,2,0,0,0,0|1,0,0]=3 14954 B13R1.369 CSCNCc1ccc(cc1Cl)F 34a_100000174946_100011218213 [0,2,0,0,0,0|1,0,0]=3 14955 B13R1.369 CSCNCc1ccc(cc1Cl)O 34a_200161156549_100011218213 [0,2,0,0,0,0|1,0,0]=3 14956 B13R1.369 CSCNCc1ccc(cc1F)Br 34a_100000754580_100011218213 [0,2,0,0,0,0|1,1,0]=4 14957 B13R1.369 CSCNCc1ccc(cc1F)C 34a_100102887089_100011218213 [0,2,0,0,0,0|1,1,0]=4 14958 B13R1.369 CSCNCc1ccc(cc1F)Cl 34a_100000708496_100011218213 [0,2,0,0,0,0|1,1,0]=4 14959 B13R1.369 CSCNCc1ccc(cc1F)F 34a_100000737868_100011218213 [0,2,0,0,0,0|1,1,0]=4 14960 B13R1.369 CSCNCc1ncc(cc1Cl)Br 34a_100025703182_100011218213 [0,2,0,0,0,0|2,0,0]=4 14961 B13R1.369 CSCNCc1ncc(cc1Cl)F 34a_100020639648_100011218213 [0,2,0,0,0,0|2,0,0]=4 14962 B13R1.369 CSCOCc1ccc(cc1Br)Br 34a_100012357508_100011218213 [0,2,0,0,0,0|1,1,0]=4 14963 B13R1.369 CSCOCc1ccc(cc1Br)Cl 34a_100000707881_100011218213 [0,2,0,0,0,0|1,1,0]=4 14964 B13R1.369 CSCOCc1ccc(cc1Br)F 34a_100000744086_100011218213 [0,2,0,0,0,0|1,1,0]=4 14965 B13R1.369 CSCOCc1ccc(cc1C)Br 34a_100000748258_100011218213 [0,2,0,0,0,0|2,0,0]=4 14966 B13R1.369 CSCOCc1ccc(cc1C)C 34a_100011215341_100011218213 [0,2,0,0,0,0|2,0,0]=4 14967 B13R1.369 CSCOCc1ccc(cc1C)Cl 34a_100000702939_100011218213 [0,2,0,0,0,0|2,0,0]=4 14968 B13R1.369 CSCOCc1ccc(cc1C)F 34a_100000700136_100011218213 [0,2,0,0,0,0|2,0,0]=4 14969 B13R1.369 CSCOCc1ccc(cc1C)N 34a_100000102464_100011218213 [0,2,0,0,0,0|2,0,0]=4 14970 B13R1.369 CSCOCc1ccc(cc1Cl)Br 34a_100000756401_100011218213 [0,2,0,0,0,0|1,0,0]=3 14971 B13R1.369 CSCOCc1ccc(cc1Cl)C 34a_100000720314_100011218213 [0,2,0,0,0,0|1,0,0]=3 14972 B13R1.369 CSCOCc1ccc(cc1Cl)Cl 34a_100000215721_100011218213 [0,2,0,0,0,0|1,0,0]=3 14973 B13R1.369 CSCOCc1ccc(cc1Cl)F 34a_100011219954_100011218213 [0,2,0,0,0,0|1,0,0]=3 14974 B13R1.369 CSCOCc1ccc(cc1Cl)N 34a_100000689119_100011218213 [0,2,0,0,0,0|1,0,0]=3 14975 B13R1.369 CSCOCc1ccc(cc1F)Br 34a_100011191541_100011218213 [0,2,0,0,0,0|1,1,0]=4 14976 B13R1.369 CSCOCc1ccc(cc1F)C 34a_100011216587_100011218213 [0,2,0,0,0,0|1,1,0]=4 14977 B13R1.369 CSCOCc1ccc(cc1F)Cl 34a_100011217562_100011218213 [0,2,0,0,0,0|1,1,0]=4 14978 B13R1.369 CSCOCc1ccc(cc1F)F 34a_100011215441_100011218213 [0,2,0,0,0,0|1,1,0]=4 14979 B13R1.369 CSCOCc1ccc(cc1F)I 34a_200010202041_100011218213 [0,2,0,0,0,0|1,1,0]=4 14980 B13R1.369 CSCOCc1ccc(cc1I)Cl 34a_100000722340_100011218213 [0,2,0,0,0,0|1,1,0]=4 14981 B13R1.369 CSCOCc1ccc(cc1I)F 34a_100011356828_100011218213 [0,2,0,0,0,0|1,1,0]=4 14982 B13R1.369 CSCOCc1ccc(cc1N)Br 34a_100000718831_100011218213 [0,2,0,0,0,0|2,0,0]=4 14983 B13R1.369 CSCOCc1ccc(cc1N)C 34a_100000087799_100011218213 [0,2,0,0,0,0|2,0,0]=4 14984 B13R1.369 CSCOCc1ccc(cc1N)Cl 34a_100000238622_100011218213 [0,2,0,0,0,0|2,0,0]=4 14985 B13R1.369 CSCOCc1ccc(cc1N)F 34a_100011996588_100011218213 [0,2,0,0,0,0|2,0,0]=4 14986 B13R1.369 CSCOCc1ccc(nc1Cl)C 34a_102495338573_100011218213 [0,2,0,0,0,0|2,0,0]=4 14987 B13R1.369 CSCOCc1ccc(nc1Cl)Cl 34a_100000720492_100011218213 [0,2,0,0,0,0|2,0,0]=4 14988 B13R1.369 CSCOCc1cnc(cc1Cl)Cl 34a_100000702863_100011218213 [0,2,0,0,0,0|2,0,0]=4 14989 B13R1.369 CSCOCc1ncc(cc1Cl)Br 34a_100010065239_100011218213 [0,2,0,0,0,0|2,0,0]=4 14990 B13R1.369 CSCOCc1ncc(cc1Cl)Cl 34a_100103146734_100011218213 [0,2,0,0,0,0|2,0,0]=4 14991 B13R1.369 CSCSCc1ccc(cc1Br)Br 62a_100011218213_200012351560 [0,2,0,0,0,0|1,1,0]=4 14992 B13R1.369 CSCSCc1ccc(cc1Br)Br 62a_200012351560_100011218213 [0,2,0,0,0,0|1,1,0]=4 14993 B13R1.369 CSCSCc1ccc(cc1Br)Cl 62a_100000755608_100011218213 [0,2,0,0,0,0|1,1,0]=4 14994 B13R1.369 CSCSCc1ccc(cc1Br)Cl 62a_100011218213_100000755608 [0,2,0,0,0,0|1,1,0]=4 14995 B13R1.369 CSCSCc1ccc(cc1Br)F 62a_100000243222_100011218213 [0,2,0,0,0,0|1,1,0]=4 14996 B13R1.369 CSCSCc1ccc(cc1Br)F 62a_100011218213_100000243222 [0,2,0,0,0,0|1,1,0]=4 14997 B13R1.369 CSCSCc1ccc(cc1Br)I 62a_100010146610_100011218213 [0,2,0,0,0,0|1,1,0]=4 14998 B13R1.369 CSCSCc1ccc(cc1Br)I 62a_100011218213_100010146610 [0,2,0,0,0,0|1,1,0]=4 14999 B13R1.369 CSCSCc1ccc(cc1C)Br 62a_100000708836_100011218213 [0,2,0,0,0,0|2,0,0]=4 15000 B13R1.369 CSCSCc1ccc(cc1C)Br 62a_100011218213_100000708836 [0,2,0,0,0,0|2,0,0]=4 15001 B13R1.369 CSCSCc1ccc(cc1C)C 62a_100011218213_100011219618 [0,2,0,0,0,0|2,0,0]=4 15002 B13R1.369 CSCSCc1ccc(cc1C)C 62a_100011219618_100011218213 [0,2,0,0,0,0|2,0,0]=4 15003 B13R1.369 CSCSCc1ccc(cc1C)Cl 62a_100011218213_100012361307 [0,2,0,0,0,0|2,0,0]=4 15004 B13R1.369 CSCSCc1ccc(cc1C)Cl 62a_100012361307_100011218213 [0,2,0,0,0,0|2,0,0]=4 15005 B13R1.369 CSCSCc1ccc(cc1C)F 62a_100000700533_100011218213 [0,2,0,0,0,0|2,0,0]=4 15006 B13R1.369 CSCSCc1ccc(cc1C)F 62a_100011218213_100000700533 [0,2,0,0,0,0|2,0,0]=4 15007 B13R1.369 CSCSCc1ccc(cc1Cl)Br 62a_100011218213_100011740631 [0,2,0,0,0,0|1,0,0]=3 15008 B13R1.369 CSCSCc1ccc(cc1Cl)Br 62a_100011740631_100011218213 [0,2,0,0,0,0|1,0,0]=3 15009 B13R1.369 CSCSCc1ccc(cc1Cl)C 62a_100011218213_100012349684 [0,2,0,0,0,0|1,0,0]=3 15010 B13R1.369 CSCSCc1ccc(cc1Cl)C 62a_100012349684_100011218213 [0,2,0,0,0,0|1,0,0]=3 15011 B13R1.369 CSCSCc1ccc(cc1Cl)Cl 62a_100000188473_100011218213 [0,2,0,0,0,0|1,0,0]=3 15012 B13R1.369 CSCSCc1ccc(cc1Cl)Cl 62a_100011218213_100000188473 [0,2,0,0,0,0|1,0,0]=3 15013 B13R1.369 CSCSCc1ccc(cc1Cl)F 62a_100000187853_100011218213 [0,2,0,0,0,0|1,0,0]=3 15014 B13R1.369 CSCSCc1ccc(cc1Cl)F 62a_100011218213_100000187853 [0,2,0,0,0,0|1,0,0]=3 15015 B13R1.369 CSCSCc1ccc(cc1F)Br 62a_100000211606_100011218213 [0,2,0,0,0,0|1,1,0]=4 15016 B13R1.369 CSCSCc1ccc(cc1F)Br 62a_100011218213_100000211606 [0,2,0,0,0,0|1,1,0]=4 15017 B13R1.369 CSCSCc1ccc(cc1F)C 62a_100011217900_100011218213 [0,2,0,0,0,0|1,1,0]=4 15018 B13R1.369 CSCSCc1ccc(cc1F)C 62a_100011218213_100011217900 [0,2,0,0,0,0|1,1,0]=4 15019 B13R1.369 CSCSCc1ccc(cc1F)Cl 62a_100000709361_100011218213 [0,2,0,0,0,0|1,1,0]=4 15020 B13R1.369 CSCSCc1ccc(cc1F)Cl 62a_100011218213_100000709361 [0,2,0,0,0,0|1,1,0]=4 15021 B13R1.369 CSCSCc1ccc(cc1F)F 62a_100000748237_100011218213 [0,2,0,0,0,0|1,1,0]=4 15022 B13R1.369 CSCSCc1ccc(cc1F)F 62a_100011218213_100000748237 [0,2,0,0,0,0|1,1,0]=4 15023 B13R1.369 CSCSCc1ccc(cc1F)I 62a_100010244991_100011218213 [0,2,0,0,0,0|1,1,0]=4 15024 B13R1.369 CSCSCc1ccc(cc1F)I 62a_100011218213_100010244991 [0,2,0,0,0,0|1,1,0]=4 15025 B13R1.369 CSCSCc1ccc(cc1I)Br 62a_100010146615_100011218213 [0,2,0,0,0,0|1,1,0]=4 15026 B13R1.369 CSCSCc1ccc(cc1I)Br 62a_100011218213_100010146615 [0,2,0,0,0,0|1,1,0]=4 15027 B13R1.369 CSCSCc1ccc(cc1I)Cl 62a_100010254388_100011218213 [0,2,0,0,0,0|1,1,0]=4 15028 B13R1.369 CSCSCc1ccc(cc1I)Cl 62a_100011218213_100010254388 [0,2,0,0,0,0|1,1,0]=4 15029 B13R1.369 CSCSCc1ccc(cc1I)F 62a_100011218213_100012354799 [0,2,0,0,0,0|1,1,0]=4 15030 B13R1.369 CSCSCc1ccc(cc1I)F 62a_100012354799_100011218213 [0,2,0,0,0,0|1,1,0]=4 15031 B13R1.369 CSCSCc1ccc(nc1Cl)Cl 62a_100000722033_100011218213 [0,2,0,0,0,0|2,0,0]=4 15032 B13R1.369 CSCSCc1ccc(nc1Cl)Cl 62a_100011218213_100000722033 [0,2,0,0,0,0|2,0,0]=4 15033 B13R1.369 CSCSCc1cnc(cc1Cl)Cl 62a_100011218213_100011997056 [0,2,0,0,0,0|2,0,0]=4 15034 B13R1.369 CSCSCc1cnc(cc1Cl)Cl 62a_100011997056_100011218213 [0,2,0,0,0,0|2,0,0]=4 15035 B13R1.369 Cc1cc(ccc1OCCN[13CH3])Cl 2230a_100025744827_200025704644 [0,2,0,0,0,0|1,0,0]=3 15036 B13R1.369 Cc1cc(ccc1OCCN[13CH3])Cl 34a_100025744827_200025704644 [0,2,0,0,0,0|1,0,0]=3 15037 B13R1.369 Cc1ccc(c(c1)Br)OCCN[13CH3] 2230a_100025744979_200025704644 [0,2,0,0,0,0|0,1,0]=3 15038 B13R1.369 Cc1ccc(c(c1)Br)OCCN[13CH3] 34a_100025744979_200025704644 [0,2,0,0,0,0|0,1,0]=3 15039 B13R1.369 Cc1ccc(c(c1)C)CCNCF 34a_100000745621_100015361967 [0,2,0,0,0,0|1,0,0]=3 15040 B13R1.369 Cc1ccc(c(c1)C)OCCS[13CH3] 62a_100011210784_200025704644 [0,2,0,0,0,0|2,0,0]=4 15041 B13R1.369 Cc1ccc(c(c1)C)OCCS[13CH3] 62a_200025704644_100011210784 [0,2,0,0,0,0|2,0,0]=4 15042 B13R1.369 Cc1ccc(c(c1)Cl)CNCC=O 34a_100011997539_200009817547 [0,2,0,0,0,0|2,0,0]=4 15043 B13R1.369 Cc1ccc(c(c1)Cl)CNCCF 34a_100000724931_100012349684 [0,2,0,0,0,0|2,0,0]=4 15044 B13R1.369 Cc1ccc(c(c1)Cl)CNCCF 34a_100011997539_100011217306 [0,2,0,0,0,0|2,0,0]=4 15045 B13R1.369 Cc1ccc(c(c1)Cl)CNCCO 207a_100000210304_100011935181 [0,2,0,0,0,0|2,0,0]=4 15046 B13R1.369 Cc1ccc(c(c1)Cl)CNCCO 2230a_100016997473_100012349684 [0,2,0,0,0,0|2,0,0]=4 15047 B13R1.369 Cc1ccc(c(c1)Cl)CNCCO 270004a_100000210304_100011935181 [0,2,0,0,0,0|2,0,0]=4 15048 B13R1.369 Cc1ccc(c(c1)Cl)CNCCO 34a_100011997539_100000211926 [0,2,0,0,0,0|2,0,0]=4 15049 B13R1.369 Cc1ccc(c(c1)Cl)CNCCO 34a_100016990907_100012349684 [0,2,0,0,0,0|2,0,0]=4 15050 B13R1.369 Cc1ccc(c(c1)Cl)COCC#N 7a_100000720314_100011215382 [0,2,0,0,0,0|2,0,0]=4 15051 B13R1.369 Cc1ccc(c(c1)Cl)COCC=O 34a_100000720314_200009817547 [0,2,0,0,0,0|2,0,0]=4 15052 B13R1.369 Cc1ccc(c(c1)Cl)COCC=O 7a_100000720314_200015260668 [0,2,0,0,0,0|2,0,0]=4 15053 B13R1.369 Cc1ccc(c(c1)Cl)COCCBr 34a_100000211926_100012349684 [0,2,0,0,0,0|2,0,0]=4 15054 B13R1.369 Cc1ccc(c(c1)Cl)COCCF 34a_100000720314_100011217306 [0,2,0,0,0,0|2,0,0]=4 15055 B13R1.369 Cc1ccc(c(c1)Cl)COCCF 7a_100000720314_100011217306 [0,2,0,0,0,0|2,0,0]=4 15056 B13R1.369 Cc1ccc(c(c1)Cl)COCCN 34a_100000210304_100012349684 [0,2,0,0,0,0|2,0,0]=4 15057 B13R1.369 Cc1ccc(c(c1)Cl)COCCO 34a_100000720314_100000211926 [0,2,0,0,0,0|2,0,0]=4 15058 B13R1.369 Cc1ccc(c(c1)Cl)COCCO 7a_100000720314_100000211926 [0,2,0,0,0,0|2,0,0]=4 15059 B13R1.369 Cc1ccc(c(c1)Cl)CSCC#N 62a_100011215382_100012349684 [0,2,0,0,0,0|2,0,0]=4 15060 B13R1.369 Cc1ccc(c(c1)Cl)CSCC#N 62a_100012349684_100011215382 [0,2,0,0,0,0|2,0,0]=4 15061 B13R1.369 Cc1ccc(c(c1)Cl)CSCC=O 62a_100012349684_200015260668 [0,2,0,0,0,0|2,0,0]=4 15062 B13R1.369 Cc1ccc(c(c1)Cl)CSCC=O 62a_200015260668_100012349684 [0,2,0,0,0,0|2,0,0]=4 15063 B13R1.369 Cc1ccc(c(c1)Cl)CSCCF 62a_100011217306_100012349684 [0,2,0,0,0,0|2,0,0]=4 15064 B13R1.369 Cc1ccc(c(c1)Cl)CSCCF 62a_100012349684_100011217306 [0,2,0,0,0,0|2,0,0]=4 15065 B13R1.369 Cc1ccc(c(c1)Cl)CSCCO 62a_100000211926_100012349684 [0,2,0,0,0,0|2,0,0]=4 15066 B13R1.369 Cc1ccc(c(c1)Cl)CSCCO 62a_100012349684_100000211926 [0,2,0,0,0,0|2,0,0]=4 15067 B13R1.369 Cc1ccc(c(c1)Cl)NCCCF 34a_100000210522_100011934791 [0,2,0,0,0,0|2,0,0]=4 15068 B13R1.369 Cc1ccc(c(c1)Cl)NCCCO 34a_100000210522_100000230001 [0,2,0,0,0,0|2,0,0]=4 15069 B13R1.369 Cc1ccc(c(c1)Cl)OCCC#N 7a_100000749699_100000184422 [0,2,0,0,0,0|2,0,0]=4 15070 B13R1.369 Cc1ccc(c(c1)Cl)OCCCF 34a_100000749699_100011934791 [0,2,0,0,0,0|2,0,0]=4 15071 B13R1.369 Cc1ccc(c(c1)Cl)OCCCF 7a_100000749699_100011934791 [0,2,0,0,0,0|2,0,0]=4 15072 B13R1.369 Cc1ccc(c(c1)Cl)OCCCO 34a_100000749699_100000230001 [0,2,0,0,0,0|2,0,0]=4 15073 B13R1.369 Cc1ccc(c(c1)Cl)OCCCO 7a_100000749699_100011215043 [0,2,0,0,0,0|2,0,0]=4 15074 B13R1.369 Cc1ccc(c(c1)Cl)SCCC#N 62a_100011215226_100011263221 [0,2,0,0,0,0|2,0,0]=4 15075 B13R1.369 Cc1ccc(c(c1)Cl)SCCC#N 62a_100011263221_100011215226 [0,2,0,0,0,0|2,0,0]=4 15076 B13R1.369 Cc1ccc(c(c1)Cl)SCCCF 62a_100011263221_100011934791 [0,2,0,0,0,0|2,0,0]=4 15077 B13R1.369 Cc1ccc(c(c1)Cl)SCCCF 62a_100011934791_100011263221 [0,2,0,0,0,0|2,0,0]=4 15078 B13R1.369 Cc1ccc(c(c1)Cl)SCCCO 62a_100011215043_100011263221 [0,2,0,0,0,0|2,0,0]=4 15079 B13R1.369 Cc1ccc(c(c1)Cl)SCCCO 62a_100011263221_100011215043 [0,2,0,0,0,0|2,0,0]=4 15080 B13R1.369 Clc1cc(ccc1COCCBr)Br 34a_100000211926_100011740631 [0,2,0,0,0,0|2,0,0]=4 15081 B13R1.369 Clc1ccc(c(c1)Cl)COCCBr 34a_100000211926_100000188473 [0,2,0,0,0,0|2,0,0]=4 15082 B13R1.369 FCCCNc1ccc(cc1Cl)Br 34a_100000211467_100011934791 [0,2,0,0,0,0|2,0,0]=4 15083 B13R1.369 FCCCNc1ccc(cc1Cl)Cl 34a_100000185861_100011934791 [0,2,0,0,0,0|2,0,0]=4 15084 B13R1.369 FCCCNc1ccc(cc1Cl)F 34a_100000212003_100011934791 [0,2,0,0,0,0|2,0,0]=4 15085 B13R1.369 FCCCNc1ccc(cc1Cl)I 34a_100011218065_100011934791 [0,2,0,0,0,0|2,0,0]=4 15086 B13R1.369 FCCCOc1ccc(cc1Cl)Br 34a_100000186472_100011934791 [0,2,0,0,0,0|2,0,0]=4 15087 B13R1.369 FCCCOc1ccc(cc1Cl)Br 7a_100000186472_100011934791 [0,2,0,0,0,0|2,0,0]=4 15088 B13R1.369 FCCCOc1ccc(cc1Cl)Cl 34a_100015191787_100011934791 [0,2,0,0,0,0|2,0,0]=4 15089 B13R1.369 FCCCOc1ccc(cc1Cl)Cl 7a_100015191787_100011934791 [0,2,0,0,0,0|2,0,0]=4 15090 B13R1.369 FCCCOc1ccc(cc1Cl)F 34a_100000212004_100011934791 [0,2,0,0,0,0|2,0,0]=4 15091 B13R1.369 FCCCOc1ccc(cc1Cl)F 7a_100000212004_100011934791 [0,2,0,0,0,0|2,0,0]=4 15092 B13R1.369 FCCCOc1ccc(cc1Cl)I 34a_100012360047_100011934791 [0,2,0,0,0,0|2,0,0]=4 15093 B13R1.369 FCCCOc1ccc(cc1Cl)I 7a_100012360047_100011934791 [0,2,0,0,0,0|2,0,0]=4 15094 B13R1.369 FCCCSc1ccc(cc1Cl)Br 62a_100011216062_100011934791 [0,2,0,0,0,0|2,0,0]=4 15095 B13R1.369 FCCCSc1ccc(cc1Cl)Br 62a_100011934791_100011216062 [0,2,0,0,0,0|2,0,0]=4 15096 B13R1.369 FCCCSc1ccc(cc1Cl)Cl 62a_100000699841_100011934791 [0,2,0,0,0,0|2,0,0]=4 15097 B13R1.369 FCCCSc1ccc(cc1Cl)Cl 62a_100011934791_100000699841 [0,2,0,0,0,0|2,0,0]=4 15098 B13R1.369 FCCCSc1ccc(cc1Cl)F 62a_100000733362_100011934791 [0,2,0,0,0,0|2,0,0]=4 15099 B13R1.369 FCCCSc1ccc(cc1Cl)F 62a_100011934791_100000733362 [0,2,0,0,0,0|2,0,0]=4 15100 B13R1.369 FCCNCc1ccc(cc1Cl)Br 34a_100000724931_100011740631 [0,2,0,0,0,0|2,0,0]=4 15101 B13R1.369 FCCNCc1ccc(cc1Cl)Br 34a_100020628970_100011217306 [0,2,0,0,0,0|2,0,0]=4 15102 B13R1.369 FCCNCc1ccc(cc1Cl)Cl 34a_100000174880_100011217306 [0,2,0,0,0,0|2,0,0]=4 15103 B13R1.369 FCCNCc1ccc(cc1Cl)Cl 34a_100000724931_100000188473 [0,2,0,0,0,0|2,0,0]=4 15104 B13R1.369 FCCNCc1ccc(cc1Cl)F 34a_100000174946_100011217306 [0,2,0,0,0,0|2,0,0]=4 15105 B13R1.369 FCCNCc1ccc(cc1Cl)F 34a_100000724931_100011216360 [0,2,0,0,0,0|2,0,0]=4 15106 B13R1.369 FCCOCc1ccc(cc1Cl)Br 34a_100000756401_100011217306 [0,2,0,0,0,0|2,0,0]=4 15107 B13R1.369 FCCOCc1ccc(cc1Cl)Br 7a_100000756401_100011217306 [0,2,0,0,0,0|2,0,0]=4 15108 B13R1.369 FCCOCc1ccc(cc1Cl)Cl 34a_100000215721_100011217306 [0,2,0,0,0,0|2,0,0]=4 15109 B13R1.369 FCCOCc1ccc(cc1Cl)Cl 7a_100000215721_100011217306 [0,2,0,0,0,0|2,0,0]=4 15110 B13R1.369 FCCOCc1ccc(cc1Cl)F 34a_100011219954_100011217306 [0,2,0,0,0,0|2,0,0]=4 15111 B13R1.369 FCCOCc1ccc(cc1Cl)F 7a_100011219954_100011217306 [0,2,0,0,0,0|2,0,0]=4 15112 B13R1.369 FCCSCc1ccc(cc1Cl)Br 62a_100011217306_100011740631 [0,2,0,0,0,0|2,0,0]=4 15113 B13R1.369 FCCSCc1ccc(cc1Cl)Br 62a_100011740631_100011217306 [0,2,0,0,0,0|2,0,0]=4 15114 B13R1.369 FCCSCc1ccc(cc1Cl)Cl 62a_100000188473_100011217306 [0,2,0,0,0,0|2,0,0]=4 15115 B13R1.369 FCCSCc1ccc(cc1Cl)Cl 62a_100011217306_100000188473 [0,2,0,0,0,0|2,0,0]=4 15116 B13R1.369 FCCSCc1ccc(cc1Cl)F 62a_100000187853_100011217306 [0,2,0,0,0,0|2,0,0]=4 15117 B13R1.369 FCCSCc1ccc(cc1Cl)F 62a_100011217306_100000187853 [0,2,0,0,0,0|2,0,0]=4 15118 B13R1.369 FCNCCc1ccc(cc1Cl)Cl 34a_100000210994_100015361967 [0,2,0,0,0,0|0,0,0]=2 15119 B13R1.369 FCNCCc1ccc(cc1F)Cl 34a_103496529009_100015361967 [0,2,0,0,0,0|0,1,0]=3 15120 B13R1.369 FCNCCc1ccc(cc1F)F 34a_100000754870_100015361967 [0,2,0,0,0,0|0,1,0]=3 15121 B13R1.369 FCOCCc1ccc(cc1Cl)Br 34a_100013445822_100015361967 [0,2,0,0,0,0|1,0,0]=3 15122 B13R1.369 FCOCCc1ccc(cc1Cl)Br 7a_100013445822_100015361967 [0,2,0,0,0,0|1,0,0]=3 15123 B13R1.369 FCOCCc1ccc(cc1Cl)Cl 34a_100011215701_100015361967 [0,2,0,0,0,0|1,0,0]=3 15124 B13R1.369 FCOCCc1ccc(cc1Cl)Cl 7a_100011215701_100015361967 [0,2,0,0,0,0|1,0,0]=3 15125 B13R1.369 FCOCCc1ccc(cc1Cl)F 34a_100011962860_100015361967 [0,2,0,0,0,0|1,0,0]=3 15126 B13R1.369 FCOCCc1ccc(cc1Cl)F 7a_100011962860_100015361967 [0,2,0,0,0,0|1,0,0]=3 15127 B13R1.369 FCOCCc1ccc(cc1F)Br 34a_100011962869_100015361967 [0,2,0,0,0,0|1,1,0]=4 15128 B13R1.369 FCOCCc1ccc(cc1F)Br 7a_100011962869_100015361967 [0,2,0,0,0,0|1,1,0]=4 15129 B13R1.369 FCOCCc1ccc(cc1F)F 34a_100000697962_100015361967 [0,2,0,0,0,0|1,1,0]=4 15130 B13R1.369 FCOCCc1ccc(cc1F)F 7a_100000697962_100015361967 [0,2,0,0,0,0|1,1,0]=4 15131 B13R1.369 FCSCCc1ccc(cc1Br)Cl 62a_100015361967_200012945151 [0,2,0,0,0,0|1,1,0]=4 15132 B13R1.369 FCSCCc1ccc(cc1Br)Cl 62a_200012945151_100015361967 [0,2,0,0,0,0|1,1,0]=4 15133 B13R1.369 FCSCCc1ccc(cc1Cl)Cl 62a_100015361967_200012161198 [0,2,0,0,0,0|1,0,0]=3 15134 B13R1.369 FCSCCc1ccc(cc1Cl)Cl 62a_200012161198_100015361967 [0,2,0,0,0,0|1,0,0]=3 15135 B13R1.369 Fc1ccc(c(c1)Cl)COCCBr 34a_100000211926_100011216360 [0,2,0,0,0,0|2,0,0]=4 15136 B13R1.369 N#CCCOc1ccc(cc1Cl)Br 7a_100000186472_100000184422 [0,2,0,0,0,0|2,0,0]=4 15137 B13R1.369 N#CCCOc1ccc(cc1Cl)Cl 7a_100015191787_100000184422 [0,2,0,0,0,0|2,0,0]=4 15138 B13R1.369 N#CCCOc1ccc(cc1Cl)F 7a_100000212004_100000184422 [0,2,0,0,0,0|2,0,0]=4 15139 B13R1.369 N#CCCOc1ccc(cc1Cl)I 7a_100012360047_100000184422 [0,2,0,0,0,0|2,0,0]=4 15140 B13R1.369 N#CCCOc1ccc(cc1Cl)N 7a_100000744943_100000184422 [0,2,0,0,0,0|2,0,0]=4 15141 B13R1.369 N#CCCSc1ccc(cc1Cl)Br 62a_100011215226_100011216062 [0,2,0,0,0,0|2,0,0]=4 15142 B13R1.369 N#CCCSc1ccc(cc1Cl)Br 62a_100011216062_100011215226 [0,2,0,0,0,0|2,0,0]=4 15143 B13R1.369 N#CCCSc1ccc(cc1Cl)Cl 62a_100000699841_100011215226 [0,2,0,0,0,0|2,0,0]=4 15144 B13R1.369 N#CCCSc1ccc(cc1Cl)Cl 62a_100011215226_100000699841 [0,2,0,0,0,0|2,0,0]=4 15145 B13R1.369 N#CCCSc1ccc(cc1Cl)F 62a_100000733362_100011215226 [0,2,0,0,0,0|2,0,0]=4 15146 B13R1.369 N#CCCSc1ccc(cc1Cl)F 62a_100011215226_100000733362 [0,2,0,0,0,0|2,0,0]=4 15147 B13R1.369 N#CCCSc1ccc(cc1Cl)N 62a_100000761885_100011215226 [0,2,0,0,0,0|2,0,0]=4 15148 B13R1.369 N#CCCSc1ccc(cc1Cl)N 62a_100011215226_100000761885 [0,2,0,0,0,0|2,0,0]=4 15149 B13R1.369 N#CCCSc1ccc(cc1Cl)O 62a_100000047559_100011215226 [0,2,0,0,0,0|2,0,0]=4 15150 B13R1.369 N#CCCSc1ccc(cc1Cl)O 62a_100011215226_100000047559 [0,2,0,0,0,0|2,0,0]=4 15151 B13R1.369 N#CCOCc1ccc(cc1Cl)Br 7a_100000756401_100011215382 [0,2,0,0,0,0|2,0,0]=4 15152 B13R1.369 N#CCOCc1ccc(cc1Cl)Cl 7a_100000215721_100011215382 [0,2,0,0,0,0|2,0,0]=4 15153 B13R1.369 N#CCOCc1ccc(cc1Cl)F 7a_100011219954_100011215382 [0,2,0,0,0,0|2,0,0]=4 15154 B13R1.369 N#CCSCc1ccc(cc1Cl)Br 62a_100011215382_100011740631 [0,2,0,0,0,0|2,0,0]=4 15155 B13R1.369 N#CCSCc1ccc(cc1Cl)Br 62a_100011740631_100011215382 [0,2,0,0,0,0|2,0,0]=4 15156 B13R1.369 N#CCSCc1ccc(cc1Cl)Cl 62a_100000188473_100011215382 [0,2,0,0,0,0|2,0,0]=4 15157 B13R1.369 N#CCSCc1ccc(cc1Cl)Cl 62a_100011215382_100000188473 [0,2,0,0,0,0|2,0,0]=4 15158 B13R1.369 N#CCSCc1ccc(cc1Cl)F 62a_100000187853_100011215382 [0,2,0,0,0,0|2,0,0]=4 15159 B13R1.369 N#CCSCc1ccc(cc1Cl)F 62a_100011215382_100000187853 [0,2,0,0,0,0|2,0,0]=4 15160 B13R1.369 NCCOCc1ccc(cc1Cl)Br 34a_100000210304_100011740631 [0,2,0,0,0,0|2,0,0]=4 15161 B13R1.369 NCCOCc1ccc(cc1Cl)Cl 34a_100000210304_100000188473 [0,2,0,0,0,0|2,0,0]=4 15162 B13R1.369 NCCOCc1ccc(cc1Cl)F 34a_100000210304_100011216360 [0,2,0,0,0,0|2,0,0]=4 15163 B13R1.369 Nc1ccc(c(c1)Cl)COCC=O 34a_100000689119_200009817547 [0,2,0,0,0,0|2,0,0]=4 15164 B13R1.369 Nc1ccc(c(c1)Cl)COCCF 34a_100000689119_100011217306 [0,2,0,0,0,0|2,0,0]=4 15165 B13R1.369 Nc1ccc(c(c1)Cl)COCCO 34a_100000689119_100000211926 [0,2,0,0,0,0|2,0,0]=4 15166 B13R1.369 Nc1ccc(c(c1)Cl)OCCCF 34a_100000744943_100011934791 [0,2,0,0,0,0|2,0,0]=4 15167 B13R1.369 Nc1ccc(c(c1)Cl)OCCCF 7a_100000744943_100011934791 [0,2,0,0,0,0|2,0,0]=4 15168 B13R1.369 Nc1ccc(c(c1)Cl)OCCCO 34a_100000744943_100000230001 [0,2,0,0,0,0|2,0,0]=4 15169 B13R1.369 Nc1ccc(c(c1)Cl)OCCCO 7a_100000744943_100011215043 [0,2,0,0,0,0|2,0,0]=4 15170 B13R1.369 Nc1ccc(c(c1)Cl)SCCCF 62a_100000761885_100011934791 [0,2,0,0,0,0|2,0,0]=4 15171 B13R1.369 Nc1ccc(c(c1)Cl)SCCCF 62a_100011934791_100000761885 [0,2,0,0,0,0|2,0,0]=4 15172 B13R1.369 Nc1ccc(c(c1)Cl)SCCCO 62a_100000761885_100011215043 [0,2,0,0,0,0|2,0,0]=4 15173 B13R1.369 Nc1ccc(c(c1)Cl)SCCCO 62a_100011215043_100000761885 [0,2,0,0,0,0|2,0,0]=4 15174 B13R1.369 O=CCNCc1ccc(cc1Cl)Br 34a_100020628970_200009817547 [0,2,0,0,0,0|2,0,0]=4 15175 B13R1.369 O=CCNCc1ccc(cc1Cl)Cl 34a_100000174880_200009817547 [0,2,0,0,0,0|2,0,0]=4 15176 B13R1.369 O=CCNCc1ccc(cc1Cl)F 34a_100000174946_200009817547 [0,2,0,0,0,0|2,0,0]=4 15177 B13R1.369 O=CCNCc1ccc(cc1Cl)O 34a_200161156549_200009817547 [0,2,0,0,0,0|2,0,0]=4 15178 B13R1.369 O=CCOCc1ccc(cc1Cl)Br 34a_100000756401_200009817547 [0,2,0,0,0,0|2,0,0]=4 15179 B13R1.369 O=CCOCc1ccc(cc1Cl)Br 7a_100000756401_200015260668 [0,2,0,0,0,0|2,0,0]=4 15180 B13R1.369 O=CCOCc1ccc(cc1Cl)Cl 34a_100000215721_200009817547 [0,2,0,0,0,0|2,0,0]=4 15181 B13R1.369 O=CCOCc1ccc(cc1Cl)Cl 7a_100000215721_200015260668 [0,2,0,0,0,0|2,0,0]=4 15182 B13R1.369 O=CCOCc1ccc(cc1Cl)F 34a_100011219954_200009817547 [0,2,0,0,0,0|2,0,0]=4 15183 B13R1.369 O=CCOCc1ccc(cc1Cl)F 7a_100011219954_200015260668 [0,2,0,0,0,0|2,0,0]=4 15184 B13R1.369 O=CCSCc1ccc(cc1Cl)Br 62a_100011740631_200015260668 [0,2,0,0,0,0|2,0,0]=4 15185 B13R1.369 O=CCSCc1ccc(cc1Cl)Br 62a_200015260668_100011740631 [0,2,0,0,0,0|2,0,0]=4 15186 B13R1.369 O=CCSCc1ccc(cc1Cl)Cl 62a_100000188473_200015260668 [0,2,0,0,0,0|2,0,0]=4 15187 B13R1.369 O=CCSCc1ccc(cc1Cl)Cl 62a_200015260668_100000188473 [0,2,0,0,0,0|2,0,0]=4 15188 B13R1.369 O=CCSCc1ccc(cc1Cl)F 62a_100000187853_200015260668 [0,2,0,0,0,0|2,0,0]=4 15189 B13R1.369 O=CCSCc1ccc(cc1Cl)F 62a_200015260668_100000187853 [0,2,0,0,0,0|2,0,0]=4 15190 B13R1.369 OCCCNc1ccc(cc1Cl)Br 34a_100000211467_100000230001 [0,2,0,0,0,0|2,0,0]=4 15191 B13R1.369 OCCCNc1ccc(cc1Cl)Cl 34a_100000185861_100000230001 [0,2,0,0,0,0|2,0,0]=4 15192 B13R1.369 OCCCNc1ccc(cc1Cl)F 34a_100000212003_100000230001 [0,2,0,0,0,0|2,0,0]=4 15193 B13R1.369 OCCCNc1ccc(cc1Cl)I 34a_100011218065_100000230001 [0,2,0,0,0,0|2,0,0]=4 15194 B13R1.369 OCCCNc1ccc(cc1Cl)O 34a_100011215599_100000230001 [0,2,0,0,0,0|2,0,0]=4 15195 B13R1.369 OCCCOc1ccc(cc1Cl)Br 34a_100000186472_100000230001 [0,2,0,0,0,0|2,0,0]=4 15196 B13R1.369 OCCCOc1ccc(cc1Cl)Br 7a_100000186472_100011215043 [0,2,0,0,0,0|2,0,0]=4 15197 B13R1.369 OCCCOc1ccc(cc1Cl)Cl 34a_100015191787_100000230001 [0,2,0,0,0,0|2,0,0]=4 15198 B13R1.369 OCCCOc1ccc(cc1Cl)Cl 7a_100015191787_100011215043 [0,2,0,0,0,0|2,0,0]=4 15199 B13R1.369 OCCCOc1ccc(cc1Cl)F 34a_100000212004_100000230001 [0,2,0,0,0,0|2,0,0]=4 15200 B13R1.369 OCCCOc1ccc(cc1Cl)F 7a_100000212004_100011215043 [0,2,0,0,0,0|2,0,0]=4 15201 B13R1.369 OCCCOc1ccc(cc1Cl)I 34a_100012360047_100000230001 [0,2,0,0,0,0|2,0,0]=4 15202 B13R1.369 OCCCOc1ccc(cc1Cl)I 7a_100012360047_100011215043 [0,2,0,0,0,0|2,0,0]=4 15203 B13R1.369 OCCCSc1ccc(cc1Cl)Br 62a_100011215043_100011216062 [0,2,0,0,0,0|2,0,0]=4 15204 B13R1.369 OCCCSc1ccc(cc1Cl)Br 62a_100011216062_100011215043 [0,2,0,0,0,0|2,0,0]=4 15205 B13R1.369 OCCCSc1ccc(cc1Cl)Cl 62a_100000699841_100011215043 [0,2,0,0,0,0|2,0,0]=4 15206 B13R1.369 OCCCSc1ccc(cc1Cl)Cl 62a_100011215043_100000699841 [0,2,0,0,0,0|2,0,0]=4 15207 B13R1.369 OCCCSc1ccc(cc1Cl)F 62a_100000733362_100011215043 [0,2,0,0,0,0|2,0,0]=4 15208 B13R1.369 OCCCSc1ccc(cc1Cl)F 62a_100011215043_100000733362 [0,2,0,0,0,0|2,0,0]=4 15209 B13R1.369 OCCCSc1ccc(cc1Cl)O 62a_100000047559_100011215043 [0,2,0,0,0,0|2,0,0]=4 15210 B13R1.369 OCCCSc1ccc(cc1Cl)O 62a_100011215043_100000047559 [0,2,0,0,0,0|2,0,0]=4 15211 B13R1.369 OCCNCc1ccc(cc1Cl)Br 207a_100000210304_100000764164 [0,2,0,0,0,0|2,0,0]=4 15212 B13R1.369 OCCNCc1ccc(cc1Cl)Br 2230a_100016997473_100011740631 [0,2,0,0,0,0|2,0,0]=4 15213 B13R1.369 OCCNCc1ccc(cc1Cl)Br 270004a_100000210304_100000764164 [0,2,0,0,0,0|2,0,0]=4 15214 B13R1.369 OCCNCc1ccc(cc1Cl)Br 34a_100016990907_100011740631 [0,2,0,0,0,0|2,0,0]=4 15215 B13R1.369 OCCNCc1ccc(cc1Cl)Br 34a_100020628970_100000211926 [0,2,0,0,0,0|2,0,0]=4 15216 B13R1.369 OCCNCc1ccc(cc1Cl)Cl 207a_100000210304_100000188887 [0,2,0,0,0,0|2,0,0]=4 15217 B13R1.369 OCCNCc1ccc(cc1Cl)Cl 2230a_100016997473_100000188473 [0,2,0,0,0,0|2,0,0]=4 15218 B13R1.369 OCCNCc1ccc(cc1Cl)Cl 270004a_100000210304_100000188887 [0,2,0,0,0,0|2,0,0]=4 15219 B13R1.369 OCCNCc1ccc(cc1Cl)Cl 34a_100000174880_100000211926 [0,2,0,0,0,0|2,0,0]=4 15220 B13R1.369 OCCNCc1ccc(cc1Cl)Cl 34a_100016990907_100000188473 [0,2,0,0,0,0|2,0,0]=4 15221 B13R1.369 OCCNCc1ccc(cc1Cl)F 207a_100000210304_100000752949 [0,2,0,0,0,0|2,0,0]=4 15222 B13R1.369 OCCNCc1ccc(cc1Cl)F 2230a_100016997473_100011216360 [0,2,0,0,0,0|2,0,0]=4 15223 B13R1.369 OCCNCc1ccc(cc1Cl)F 270004a_100000210304_100000752949 [0,2,0,0,0,0|2,0,0]=4 15224 B13R1.369 OCCNCc1ccc(cc1Cl)F 34a_100000174946_100000211926 [0,2,0,0,0,0|2,0,0]=4 15225 B13R1.369 OCCNCc1ccc(cc1Cl)F 34a_100016990907_100011216360 [0,2,0,0,0,0|2,0,0]=4 15226 B13R1.369 OCCNCc1ccc(cc1Cl)I 207a_100000210304_100000727542 [0,2,0,0,0,0|2,0,0]=4 15227 B13R1.369 OCCNCc1ccc(cc1Cl)O 34a_200161156549_100000211926 [0,2,0,0,0,0|2,0,0]=4 15228 B13R1.369 OCCOCc1ccc(cc1Cl)Br 34a_100000756401_100000211926 [0,2,0,0,0,0|2,0,0]=4 15229 B13R1.369 OCCOCc1ccc(cc1Cl)Br 7a_100000756401_100000211926 [0,2,0,0,0,0|2,0,0]=4 15230 B13R1.369 OCCOCc1ccc(cc1Cl)Cl 34a_100000215721_100000211926 [0,2,0,0,0,0|2,0,0]=4 15231 B13R1.369 OCCOCc1ccc(cc1Cl)Cl 7a_100000215721_100000211926 [0,2,0,0,0,0|2,0,0]=4 15232 B13R1.369 OCCOCc1ccc(cc1Cl)F 34a_100011219954_100000211926 [0,2,0,0,0,0|2,0,0]=4 15233 B13R1.369 OCCOCc1ccc(cc1Cl)F 7a_100011219954_100000211926 [0,2,0,0,0,0|2,0,0]=4 15234 B13R1.369 OCCSCc1ccc(cc1Cl)Br 62a_100000211926_100011740631 [0,2,0,0,0,0|2,0,0]=4 15235 B13R1.369 OCCSCc1ccc(cc1Cl)Br 62a_100011740631_100000211926 [0,2,0,0,0,0|2,0,0]=4 15236 B13R1.369 OCCSCc1ccc(cc1Cl)Cl 62a_100000188473_100000211926 [0,2,0,0,0,0|2,0,0]=4 15237 B13R1.369 OCCSCc1ccc(cc1Cl)Cl 62a_100000211926_100000188473 [0,2,0,0,0,0|2,0,0]=4 15238 B13R1.369 OCCSCc1ccc(cc1Cl)F 62a_100000187853_100000211926 [0,2,0,0,0,0|2,0,0]=4 15239 B13R1.369 OCCSCc1ccc(cc1Cl)F 62a_100000211926_100000187853 [0,2,0,0,0,0|2,0,0]=4 15240 B13R1.369 Oc1ccc(c(c1)Cl)CNCCF 34a_200161156549_100011217306 [0,2,0,0,0,0|2,0,0]=4 15241 B13R1.369 Oc1ccc(c(c1)Cl)NCCCF 34a_100011215599_100011934791 [0,2,0,0,0,0|2,0,0]=4 15242 B13R1.369 Oc1ccc(c(c1)Cl)SCCCF 62a_100000047559_100011934791 [0,2,0,0,0,0|2,0,0]=4 15243 B13R1.369 Oc1ccc(c(c1)Cl)SCCCF 62a_100011934791_100000047559 [0,2,0,0,0,0|2,0,0]=4 15244 B13R1.369 [13CH3]NCCOc1ccc(cc1Cl)F 2230a_100020586385_200025704644 [0,2,0,0,0,0|0,0,0]=2 15245 B13R1.369 [13CH3]NCCOc1ccc(cc1Cl)F 34a_100020586385_200025704644 [0,2,0,0,0,0|0,0,0]=2 15246 B13R1.369 [13CH3]OCCCc1ccc(cc1Cl)Cl 34a_200011713141_200025704644 [0,2,0,0,0,0|1,0,0]=3 15247 B13R1.369 [13CH3]OCCCc1ccc(cc1Cl)Cl 7a_200011713141_200025704644 [0,2,0,0,0,0|1,0,0]=3 15248 B13R1.369 [13CH3]OCCNc1ccc(cc1F)F 34a_100000692795_200025704644 [0,2,0,0,0,0|1,1,0]=4 15249 B13R1.369 [13CH3]OCCNc1ccc(cc1F)F 7a_100000692795_200025704644 [0,2,0,0,0,0|1,1,0]=4 15250 B13R1.369 [13CH3]OCCOc1ccc(cc1Br)Cl 34a_100000193638_200025704644 [0,2,0,0,0,0|1,1,0]=4 15251 B13R1.369 [13CH3]OCCOc1ccc(cc1Br)Cl 7a_100000193638_200025704644 [0,2,0,0,0,0|1,1,0]=4 15252 B13R1.369 [13CH3]OCCOc1ccc(cc1Cl)Cl 34a_200000205304_200025704644 [0,2,0,0,0,0|1,0,0]=3 15253 B13R1.369 [13CH3]OCCOc1ccc(cc1Cl)Cl 7a_200000205304_200025704644 [0,2,0,0,0,0|1,0,0]=3 15254 B13R1.369 [13CH3]OCCOc1ccc(cc1N)N 34a_100016991323_200025704644 [0,2,0,0,0,0|2,0,0]=4 15255 B13R1.369 [13CH3]OCCSc1ccc(cc1Cl)Cl 34a_200010001942_200025704644 [0,2,0,0,0,0|1,0,0]=3 15256 B13R1.369 [13CH3]OCCSc1ccc(cc1Cl)Cl 7a_200010001942_200025704644 [0,2,0,0,0,0|1,0,0]=3 15257 B13R1.369 [13CH3]OCCSc1ccc(cc1F)F 34a_200000204339_200025704644 [0,2,0,0,0,0|1,1,0]=4 15258 B13R1.369 [13CH3]OCCSc1ccc(cc1F)F 7a_200000204339_200025704644 [0,2,0,0,0,0|1,1,0]=4 15259 B13R1.369 [13CH3]SCCOc1ccc(cc1Br)Cl 62a_100000199037_200025704644 [0,2,0,0,0,0|1,1,0]=4 15260 B13R1.369 [13CH3]SCCOc1ccc(cc1Br)Cl 62a_200025704644_100000199037 [0,2,0,0,0,0|1,1,0]=4 15261 B13R1.369 [13CH3]SCCOc1ccc(cc1Cl)Cl 62a_100000184432_200025704644 [0,2,0,0,0,0|1,0,0]=3 15262 B13R1.369 [13CH3]SCCOc1ccc(cc1Cl)Cl 62a_200025704644_100000184432 [0,2,0,0,0,0|1,0,0]=3 15263 B13R1.1511 CCCC(=O)c1ccc(cc1Cl)Br 1458a_100000741628_100000210303 [0,2,0,0,0,0|1,0,1]=4 15264 B13R1.1511 CCCC(=O)c1ccc(cc1Cl)C 1458a_100000766932_100000210303 [0,2,0,0,0,0|1,0,1]=4 15265 B13R1.1511 CCCC(=O)c1ccc(cc1Cl)Cl 1458a_100000185840_100000210303 [0,2,0,0,0,0|1,0,1]=4 15266 B13R1.1511 CCCC(=O)c1ccc(cc1Cl)F 1458a_100000211397_100000210303 [0,2,0,0,0,0|1,0,1]=4 15267 B13R1.1511 CCCC(=O)c1ccc(cc1Cl)I 1458a_100000751301_100000210303 [0,2,0,0,0,0|1,0,1]=4 15268 B13R1.1511 CCCC(=O)c1ccc(cc1Cl)O 1458a_100000702456_100000210303 [0,2,0,0,0,0|1,0,1]=4 15269 B13R1.1511 CCCN(C)c1ccc(cc1Cl)Br 269982a_100000221650_100000210303 [0,2,0,0,0,0|2,0,0]=4 15270 B13R1.1511 CCCN(C)c1ccc(cc1Cl)Br 269982a_100102671017_200000210301 [0,2,0,0,0,0|2,0,0]=4 15271 B13R1.1511 CCCN(C)c1ccc(cc1Cl)Br 34a_100000221650_100000210303 [0,2,0,0,0,0|2,0,0]=4 15272 B13R1.1511 CCCN(C)c1ccc(cc1Cl)Br 34a_100102671017_200000210301 [0,2,0,0,0,0|2,0,0]=4 15273 B13R1.1511 CCCN(C)c1ccc(cc1Cl)Cl 269982a_114849113696_100000210303 [0,2,0,0,0,0|2,0,0]=4 15274 B13R1.1511 CCCN(C)c1ccc(cc1Cl)Cl 34a_114849113696_100000210303 [0,2,0,0,0,0|2,0,0]=4 15275 B13R1.1511 CCCN([13CH3])c1ccc(cc1Cl)Br 269982a_100102671017_200025704644 [0,2,0,0,0,0|2,0,0]=4 15276 B13R1.1511 CCCN([13CH3])c1ccc(cc1Cl)Br 34a_100102671017_200025704644 [0,2,0,0,0,0|2,0,0]=4 15277 B13R1.1511 CCNC(C)c1ccc(cc1Cl)Br 269862a_100015525214_100000693907 [0,2,0,0,0,0|2,0,0]=4 15278 B13R1.1511 CCNC(C)c1ccc(cc1Cl)Cl 2230a_100000179772_100000210202 [0,2,0,0,0,0|2,0,0]=4 15279 B13R1.1511 CCNC(C)c1ccc(cc1Cl)Cl 269862a_100015525214_100000210972 [0,2,0,0,0,0|2,0,0]=4 15280 B13R1.1511 CCNC(C)c1ccc(cc1Cl)Cl 34a_100000179772_100000210202 [0,2,0,0,0,0|2,0,0]=4 15281 B13R1.1511 CCNC(C)c1ccc(cc1Cl)F 269862a_100015525214_100000214953 [0,2,0,0,0,0|2,0,0]=4 15282 B13R1.1511 CCN[C@H](C)c1ccc(cc1Cl)F 2230a_100015196781_100000210202 [0,2,0,0,0,0|2,0,0]=4 15283 B13R1.1511 CCN[C@H](C)c1ccc(cc1Cl)F 34a_100015196781_100000210202 [0,2,0,0,0,0|2,0,0]=4 15284 B13R1.1511 CCOC(C)c1ccc(cc1Cl)Cl 34a_100000743050_100000210202 [0,2,0,0,0,0|2,0,0]=4 15285 B13R1.1511 CCOC(C)c1ccc(cc1Cl)Cl 7a_100000743050_100000210202 [0,2,0,0,0,0|2,0,0]=4 15286 B13R1.1511 CCOC(C)c1ccc(cc1Cl)F 34a_200011245020_100000210202 [0,2,0,0,0,0|2,0,0]=4 15287 B13R1.1511 CCOC(C)c1ccc(cc1Cl)F 7a_200011245020_100000210202 [0,2,0,0,0,0|2,0,0]=4 15288 B13R1.1511 CNCC(=O)c1ccc(cc1Br)F 34a_100102657272_100012361341 [0,2,0,0,0,0|0,1,1]=4 15289 B13R1.1511 CNCC(=O)c1ccc(cc1Br)F 7a_106832991635_100012361341 [0,2,0,0,0,0|0,1,1]=4 15290 B13R1.1511 CNCC(=O)c1ccc(cc1C)C 2230a_106832991635_100000229959 [0,2,0,0,0,0|1,0,1]=4 15291 B13R1.1511 CNCC(=O)c1ccc(cc1C)C 34a_100102657272_100000229959 [0,2,0,0,0,0|1,0,1]=4 15292 B13R1.1511 CNCC(=O)c1ccc(cc1C)C 7a_106832991635_100000229959 [0,2,0,0,0,0|1,0,1]=4 15293 B13R1.1511 CNCC(=O)c1ccc(cc1Cl)Cl 2230a_106832991635_100011218845 [0,2,0,0,0,0|0,0,1]=3 15294 B13R1.1511 CNCC(=O)c1ccc(cc1Cl)F 2230a_106832991635_100012056422 [0,2,0,0,0,0|0,0,1]=3 15295 B13R1.1511 CNCC(=O)c1ccc(cc1Cl)F 34a_100102657272_100012056422 [0,2,0,0,0,0|0,0,1]=3 15296 B13R1.1511 CNCC(=O)c1ccc(cc1F)Br 34a_100102657272_200012361339 [0,2,0,0,0,0|0,1,1]=4 15297 B13R1.1511 CNCC(=O)c1ccc(cc1F)Br 7a_106832991635_200012361339 [0,2,0,0,0,0|0,1,1]=4 15298 B13R1.1511 CNCC(=O)c1ccc(cc1F)Cl 34a_100102657272_100012351891 [0,2,0,0,0,0|0,1,1]=4 15299 B13R1.1511 CNCC(=O)c1ccc(cc1F)Cl 7a_106832991635_100012351891 [0,2,0,0,0,0|0,1,1]=4 15300 B13R1.1511 CNCC(=O)c1ccc(cc1F)F 34a_100102657272_100000229962 [0,2,0,0,0,0|0,1,1]=4 15301 B13R1.1511 CNCC(=O)c1ccc(cc1F)F 7a_106832991635_100000229962 [0,2,0,0,0,0|0,1,1]=4 15302 B13R1.1511 CNCC(=O)c1ccc(cc1O)F 34a_100102657272_100009817053 [0,2,0,0,0,0|1,0,1]=4 15303 B13R1.1511 CNCC(=O)c1ccc(cc1O)O 34a_100102657272_100009814262 [0,2,0,0,0,0|1,0,1]=4 15304 B13R1.1511 CNCC(=O)c1ccc(cc1O)O 7a_106832991635_100009814262 [0,2,0,0,0,0|1,0,1]=4 15305 B13R1.1511 CNC[C@@H](O)c1ccc(cc1F)F 2230a_106832991635_100000761269 [0,2,0,0,0,0|0,1,0]=3 15306 B13R1.1511 CNC[C@@H](O)c1ccc(cc1F)F 34a_100102657272_100000761269 [0,2,0,0,0,0|0,1,0]=3 15307 B13R1.1511 CNC[C@@H](O)c1ccc(cc1F)F 7a_106832991635_100000761269 [0,2,0,0,0,0|0,1,0]=3 15308 B13R1.1511 CNC[C@H](O)c1ccc(cc1Cl)Cl 2230a_106832991635_100000761231 [0,2,0,0,0,0|0,0,0]=2 15309 B13R1.1511 CNC[C@H](O)c1ccc(cc1Cl)Cl 34a_100102657272_100000761231 [0,2,0,0,0,0|0,0,0]=2 15310 B13R1.1511 CNC[C@H](O)c1ccc(cc1Cl)Cl 7a_106832991635_100000761231 [0,2,0,0,0,0|0,0,0]=2 15311 B13R1.1511 CNNC(=O)c1ccc(cc1Cl)Br 22a_100016993582_100000741628 [0,2,0,0,0,0|1,0,1]=4 15312 B13R1.1511 CNNC(=O)c1ccc(cc1Cl)C 22a_100016993582_100000766932 [0,2,0,0,0,0|1,0,1]=4 15313 B13R1.1511 CNNC(=O)c1ccc(cc1Cl)Cl 22a_100016993582_100000185840 [0,2,0,0,0,0|1,0,1]=4 15314 B13R1.1511 CNNC(=O)c1ccc(cc1Cl)F 22a_100016993582_100000211397 [0,2,0,0,0,0|1,0,1]=4 15315 B13R1.1511 CNNC(=O)c1ccc(cc1Cl)I 22a_100016993582_100000751301 [0,2,0,0,0,0|1,0,1]=4 15316 B13R1.1511 CNNC(=O)c1ccc(cc1Cl)O 22a_100016993582_100000702456 [0,2,0,0,0,0|1,0,1]=4 15317 B13R1.1511 COCC(=O)c1ccc(cc1Cl)F 34a_100138415774_100012056422 [0,2,0,0,0,0|1,0,1]=4 15318 B13R1.1511 COCN(C)c1ccc(cc1Cl)Br 269982a_100000221650_100000766300 [0,2,0,0,0,0|2,0,0]=4 15319 B13R1.1511 COCN(C)c1ccc(cc1Cl)Cl 269982a_114849113696_100000766300 [0,2,0,0,0,0|2,0,0]=4 15320 B13R1.1511 COC[C@@H](N)c1ccc(cc1C)Br 34a_100138412551_200000210301 [0,2,0,0,0,0|2,0,0]=4 15321 B13R1.1511 COC[C@@H](N)c1ccc(cc1Cl)F 34a_102531768864_200000210301 [0,2,0,0,0,0|1,0,0]=3 15322 B13R1.1511 COC[C@@H](N)c1ccc(cc1F)F 34a_100138412331_200000210301 [0,2,0,0,0,0|1,1,0]=4 15323 B13R1.1511 COC[C@@H](O)c1ccc(cc1F)F 34a_100138415774_100000761269 [0,2,0,0,0,0|1,1,0]=4 15324 B13R1.1511 COC[C@H](O)c1ccc(cc1Cl)Cl 34a_100138415774_100000761231 [0,2,0,0,0,0|1,0,0]=3 15325 B13R1.1511 CSCC(=O)c1ccc(cc1Cl)Cl 62a_100011218845_200000210301 [0,2,0,0,0,0|1,0,1]=4 15326 B13R1.1511 CSCC(=O)c1ccc(cc1Cl)F 62a_100012056422_200000210301 [0,2,0,0,0,0|1,0,1]=4 15327 B13R1.1511 CSCC(=O)c1ccc(cc1Cl)F 62a_200000210301_100012056422 [0,2,0,0,0,0|1,0,1]=4 15328 B13R1.1511 CSCN(C)c1ccc(cc1Cl)Br 269982a_100000221650_100011218213 [0,2,0,0,0,0|2,0,0]=4 15329 B13R1.1511 CSCN(C)c1ccc(cc1Cl)Br 34a_100000221650_100011218213 [0,2,0,0,0,0|2,0,0]=4 15330 B13R1.1511 CSCN(C)c1ccc(cc1Cl)Cl 269982a_114849113696_100011218213 [0,2,0,0,0,0|2,0,0]=4 15331 B13R1.1511 CSCN(C)c1ccc(cc1Cl)Cl 34a_114849113696_100011218213 [0,2,0,0,0,0|2,0,0]=4 15332 B13R1.1511 CSC[C@@H](O)c1ccc(cc1F)F 62a_100000761269_200000210301 [0,2,0,0,0,0|1,1,0]=4 15333 B13R1.1511 CSC[C@@H](O)c1ccc(cc1F)F 62a_200000210301_100000761269 [0,2,0,0,0,0|1,1,0]=4 15334 B13R1.1511 CSC[C@H](O)c1ccc(cc1Cl)Cl 62a_100000761231_200000210301 [0,2,0,0,0,0|1,0,0]=3 15335 B13R1.1511 CSC[C@H](O)c1ccc(cc1Cl)Cl 62a_200000210301_100000761231 [0,2,0,0,0,0|1,0,0]=3 15336 B13R1.1511 Cc1cc(ccc1[C@H](N)CO[13CH3])Br 34a_100138412551_200025704644 [0,2,0,0,0,0|2,0,0]=4 15337 B13R1.1511 [13CH3]OC[C@@H](N)c1ccc(cc1Cl)F 34a_102531768864_200025704644 [0,2,0,0,0,0|1,0,0]=3 15338 B13R1.1511 [13CH3]OC[C@@H](N)c1ccc(cc1F)F 34a_100138412331_200025704644 [0,2,0,0,0,0|1,1,0]=4 15339 B13R1.1511 [13CH3]SCC(=O)c1ccc(cc1Cl)Cl 62a_100011218845_200025704644 [0,2,0,0,0,0|1,0,1]=4 15340 B13R1.1511 [13CH3]SCC(=O)c1ccc(cc1Cl)F 62a_100012056422_200025704644 [0,2,0,0,0,0|1,0,1]=4 15341 B13R1.1511 [13CH3]SCC(=O)c1ccc(cc1Cl)F 62a_200025704644_100012056422 [0,2,0,0,0,0|1,0,1]=4 15342 B13R1.1511 [13CH3]SC[C@@H](O)c1ccc(cc1F)F 62a_100000761269_200025704644 [0,2,0,0,0,0|1,1,0]=4 15343 B13R1.1511 [13CH3]SC[C@@H](O)c1ccc(cc1F)F 62a_200025704644_100000761269 [0,2,0,0,0,0|1,1,0]=4 15344 B13R1.1511 [13CH3]SC[C@H](O)c1ccc(cc1Cl)Cl 62a_100000761231_200025704644 [0,2,0,0,0,0|1,0,0]=3 15345 B13R1.1511 [13CH3]SC[C@H](O)c1ccc(cc1Cl)Cl 62a_200025704644_100000761231 [0,2,0,0,0,0|1,0,0]=3 15346 B13R1.1601 CCCCc1c(cc(cc1Br)Br)F 271570a_100020621405_100000708766 [0,2,0,0,0,0|1,1,0]=4 15347 B13R1.1601 CCCCc1c(cc(cc1Br)C)Br 271570a_100020621405_200011219743 [0,2,0,0,0,0|1,1,0]=4 15348 B13R1.1601 CCCCc1c(cc(cc1Br)C)C 271570a_100020621405_200012353697 [0,2,0,0,0,0|1,1,0]=4 15349 B13R1.1601 CCCCc1c(cc(cc1Br)C)F 271570a_100020621405_100010208195 [0,2,0,0,0,0|1,1,0]=4 15350 B13R1.1601 CCCCc1c(cc(cc1Br)Cl)Cl 271570a_100020621405_200009992027 [0,2,0,0,0,0|1,0,0]=3 15351 B13R1.1601 CCCCc1c(cc(cc1Br)Cl)F 271570a_100020621405_100009993495 [0,2,0,0,0,0|1,1,0]=4 15352 B13R1.1601 CCCCc1c(cc(cc1Br)F)Br 271570a_100020621405_100009813983 [0,2,0,0,0,0|1,1,0]=4 15353 B13R1.1601 CCCCc1c(cc(cc1Br)F)C 271570a_100020621405_100010208209 [0,2,0,0,0,0|1,1,0]=4 15354 B13R1.1601 CCCCc1c(cc(cc1Br)F)Cl 271570a_100020621405_100012356682 [0,2,0,0,0,0|1,0,0]=3 15355 B13R1.1601 CCCCc1c(cc(cc1Br)F)F 271570a_100020621405_100000720994 [0,2,0,0,0,0|1,1,0]=4 15356 B13R1.1601 CCCCc1c(cc(cc1Br)F)N 271570a_100020621405_200010740111 [0,2,0,0,0,0|1,1,0]=4 15357 B13R1.1601 CCCCc1c(cc(cc1C)Br)C 271570a_100020621405_100009814048 [0,2,0,0,0,0|2,0,0]=4 15358 B13R1.1601 CCCCc1c(cc(cc1C)C)C 271570a_100020621405_100011204320 [0,2,0,0,0,0|2,0,0]=4 15359 B13R1.1601 CCCCc1c(cc(cc1C)Cl)C 271570a_100020621405_100010244930 [0,2,0,0,0,0|2,0,0]=4 15360 B13R1.1601 CCCCc1c(cc(cc1C)F)C 271570a_100020621405_100012356666 [0,2,0,0,0,0|2,0,0]=4 15361 B13R1.1601 CCCCc1c(cc(cc1C)O)C 271570a_100020621405_100000243743 [0,2,0,0,0,0|2,0,0]=4 15362 B13R1.1601 CCCCc1c(cc(cc1Cl)Br)Cl 271570a_100020621405_200011263224 [0,2,0,0,0,0|1,0,0]=3 15363 B13R1.1601 CCCCc1c(cc(cc1Cl)Br)F 271570a_100020621405_100010212234 [0,2,0,0,0,0|1,0,0]=3 15364 B13R1.1601 CCCCc1c(cc(cc1Cl)Cl)C 271570a_100020621405_200000035511 [0,2,0,0,0,0|1,0,0]=3 15365 B13R1.1601 CCCCc1c(cc(cc1Cl)Cl)Cl 271570a_100020621405_200011216440 [0,2,0,0,0,0|1,0,0]=3 15366 B13R1.1601 CCCCc1c(cc(cc1Cl)F)C 271570a_100020621405_100010079234 [0,2,0,0,0,0|1,0,0]=3 15367 B13R1.1601 CCCCc1c(cc(cc1Cl)F)Cl 271570a_100020621405_100010175091 [0,2,0,0,0,0|1,0,0]=3 15368 B13R1.1601 CCCCc1c(cc(cc1Cl)N)F 271570a_100020621405_100014833993 [0,2,0,0,0,0|1,0,0]=3 15369 B13R1.1601 CCCCc1c(cc(cc1F)Br)F 271570a_100020621405_100009813614 [0,2,0,0,0,0|1,1,0]=4 15370 B13R1.1601 CCCCc1c(cc(cc1F)C)F 271570a_100020621405_100015306127 [0,2,0,0,0,0|1,1,0]=4 15371 B13R1.1601 CCCCc1c(cc(cc1F)C)N 271570a_100020621405_100021129147 [0,2,0,0,0,0|1,1,0]=4 15372 B13R1.1601 CCCCc1c(cc(cc1F)Cl)N 271570a_100020621405_200021297760 [0,2,0,0,0,0|1,1,0]=4 15373 B13R1.1601 CCCCc1c(cc(cc1F)F)F 271570a_100020621405_100000243675 [0,2,0,0,0,0|1,1,0]=4 15374 B13R1.1601 CCCCc1c(cc(cc1F)F)N 271570a_100020621405_100000716482 [0,2,0,0,0,0|1,1,0]=4 15375 B13R1.1601 CCCCc1c(cc(cc1F)F)O 271570a_100020621405_100009815984 [0,2,0,0,0,0|1,1,0]=4 15376 B13R1.1601 CCCCc1c(cc(cc1F)O)F 271570a_100020621405_100010219129 [0,2,0,0,0,0|1,1,0]=4 15377 B13R1.1601 CCCCc1c(cc(cc1N)Cl)C 271570a_100020621405_100000698757 [0,2,0,0,0,0|2,0,0]=4 15378 B13R1.1601 CCCCc1c(cc(cc1O)C)C 271570a_100020621405_100010342985 [0,2,0,0,0,0|2,0,0]=4 15379 B13R1.1601 CCCCc1c(cc(cc1O)Cl)C 271570a_100020621405_100010254216 [0,2,0,0,0,0|2,0,0]=4 15380 B13R1.1601 CCCCc1c(cc(cc1O)O)O 271570a_100020621405_200010341185 [0,2,0,0,0,0|2,0,0]=4 15381 B13R1.1601 CCCNc1c(cc(cc1Br)Br)Cl 34a_100011216035_100000210303 [0,2,0,0,0,0|2,0,0]=4 15382 B13R1.1601 CCCNc1c(cc(cc1Br)C)Cl 34a_100012339639_100000210303 [0,2,0,0,0,0|2,0,0]=4 15383 B13R1.1601 CCCNc1c(cc(cc1Br)Cl)Cl 34a_100011218119_100000210303 [0,2,0,0,0,0|2,0,0]=4 15384 B13R1.1601 CCCNc1c(cc(cc1Br)F)Cl 34a_100000694656_100000210303 [0,2,0,0,0,0|2,0,0]=4 15385 B13R1.1601 CCCNc1c(cc(cc1Cl)Br)C 34a_100000741131_100000210303 [0,2,0,0,0,0|2,0,0]=4 15386 B13R1.1601 CCCNc1c(cc(cc1Cl)Br)C 7a_100000741131_100000210303 [0,2,0,0,0,0|2,0,0]=4 15387 B13R1.1601 CCCNc1c(cc(cc1Cl)Br)Cl 34a_100000211608_100000210303 [0,2,0,0,0,0|2,0,0]=4 15388 B13R1.1601 CCCNc1c(cc(cc1Cl)Br)F 34a_100000725741_100000210303 [0,2,0,0,0,0|2,0,0]=4 15389 B13R1.1601 CCCNc1c(cc(cc1Cl)Br)F 7a_100000725741_100000210303 [0,2,0,0,0,0|2,0,0]=4 15390 B13R1.1601 CCCNc1c(cc(cc1Cl)C)C 34a_100000211461_100000210303 [0,2,0,0,0,0|2,0,0]=4 15391 B13R1.1601 CCCNc1c(cc(cc1Cl)C)C 7a_100000211461_100000210303 [0,2,0,0,0,0|2,0,0]=4 15392 B13R1.1601 CCCNc1c(cc(cc1Cl)C)Cl 34a_100011996032_100000210303 [0,2,0,0,0,0|2,0,0]=4 15393 B13R1.1601 CCCNc1c(cc(cc1Cl)C)O 34a_100015906060_100000210303 [0,2,0,0,0,0|2,0,0]=4 15394 B13R1.1601 CCCNc1c(cc(cc1Cl)Cl)C 34a_100011215104_100000210303 [0,2,0,0,0,0|2,0,0]=4 15395 B13R1.1601 CCCNc1c(cc(cc1Cl)Cl)C 7a_100011215104_100000210303 [0,2,0,0,0,0|2,0,0]=4 15396 B13R1.1601 CCCNc1c(cc(cc1Cl)Cl)Cl 34a_100000210601_100000210303 [0,2,0,0,0,0|2,0,0]=4 15397 B13R1.1601 CCCNc1c(cc(cc1Cl)Cl)F 34a_100000688862_100000210303 [0,2,0,0,0,0|2,0,0]=4 15398 B13R1.1601 CCCNc1c(cc(cc1Cl)Cl)F 7a_100000688862_100000210303 [0,2,0,0,0,0|2,0,0]=4 15399 B13R1.1601 CCCNc1c(cc(cc1Cl)F)C 34a_100000725997_100000210303 [0,2,0,0,0,0|2,0,0]=4 15400 B13R1.1601 CCCNc1c(cc(cc1Cl)F)C 7a_100000725997_100000210303 [0,2,0,0,0,0|2,0,0]=4 15401 B13R1.1601 CCCNc1c(cc(cc1Cl)F)Cl 34a_100000688861_100000210303 [0,2,0,0,0,0|2,0,0]=4 15402 B13R1.1601 CCCNc1c(cc(cc1Cl)F)F 34a_100000688773_100000210303 [0,2,0,0,0,0|2,0,0]=4 15403 B13R1.1601 CCCOc1c(cc(cc1Br)Br)Cl 34a_100012337755_100000210303 [0,2,0,0,0,0|2,0,0]=4 15404 B13R1.1601 CCCOc1c(cc(cc1Br)Br)Cl 7a_100012337755_100000210303 [0,2,0,0,0,0|2,0,0]=4 15405 B13R1.1601 CCCOc1c(cc(cc1Br)Cl)Cl 34a_200000243811_100000210303 [0,2,0,0,0,0|2,0,0]=4 15406 B13R1.1601 CCCOc1c(cc(cc1Br)Cl)Cl 7a_200000243811_100000210303 [0,2,0,0,0,0|2,0,0]=4 15407 B13R1.1601 CCCOc1c(cc(cc1Br)F)Cl 34a_100011830411_100000210303 [0,2,0,0,0,0|2,0,0]=4 15408 B13R1.1601 CCCOc1c(cc(cc1Br)F)Cl 7a_100011830411_100000210303 [0,2,0,0,0,0|2,0,0]=4 15409 B13R1.1601 CCCOc1c(cc(cc1Cl)Br)C 34a_100000211485_100000210303 [0,2,0,0,0,0|2,0,0]=4 15410 B13R1.1601 CCCOc1c(cc(cc1Cl)Br)C 7a_100000211485_100000210303 [0,2,0,0,0,0|2,0,0]=4 15411 B13R1.1601 CCCOc1c(cc(cc1Cl)Br)Cl 34a_100000753780_100000210303 [0,2,0,0,0,0|2,0,0]=4 15412 B13R1.1601 CCCOc1c(cc(cc1Cl)Br)Cl 7a_100000753780_100000210303 [0,2,0,0,0,0|2,0,0]=4 15413 B13R1.1601 CCCOc1c(cc(cc1Cl)Br)F 34a_100011216646_100000210303 [0,2,0,0,0,0|2,0,0]=4 15414 B13R1.1601 CCCOc1c(cc(cc1Cl)Br)F 7a_100011216646_100000210303 [0,2,0,0,0,0|2,0,0]=4 15415 B13R1.1601 CCCOc1c(cc(cc1Cl)Br)N 34a_100000694353_100000210303 [0,2,0,0,0,0|2,0,0]=4 15416 B13R1.1601 CCCOc1c(cc(cc1Cl)Br)N 7a_100000694353_100000210303 [0,2,0,0,0,0|2,0,0]=4 15417 B13R1.1601 CCCOc1c(cc(cc1Cl)C)Cl 34a_100000034925_100000210303 [0,2,0,0,0,0|2,0,0]=4 15418 B13R1.1601 CCCOc1c(cc(cc1Cl)C)Cl 7a_100000034925_100000210303 [0,2,0,0,0,0|2,0,0]=4 15419 B13R1.1601 CCCOc1c(cc(cc1Cl)Cl)C 34a_100011218458_100000210303 [0,2,0,0,0,0|2,0,0]=4 15420 B13R1.1601 CCCOc1c(cc(cc1Cl)Cl)C 7a_100011218458_100000210303 [0,2,0,0,0,0|2,0,0]=4 15421 B13R1.1601 CCCOc1c(cc(cc1Cl)Cl)Cl 34a_100000210218_100000210303 [0,2,0,0,0,0|2,0,0]=4 15422 B13R1.1601 CCCOc1c(cc(cc1Cl)Cl)Cl 7a_100000210218_100000210303 [0,2,0,0,0,0|2,0,0]=4 15423 B13R1.1601 CCCOc1c(cc(cc1Cl)Cl)N 34a_100000695819_100000210303 [0,2,0,0,0,0|2,0,0]=4 15424 B13R1.1601 CCCOc1c(cc(cc1Cl)Cl)N 7a_100000695819_100000210303 [0,2,0,0,0,0|2,0,0]=4 15425 B13R1.1601 CCCOc1c(cc(cc1Cl)F)Cl 34a_100011217724_100000210303 [0,2,0,0,0,0|2,0,0]=4 15426 B13R1.1601 CCCOc1c(cc(cc1Cl)F)Cl 7a_100011217724_100000210303 [0,2,0,0,0,0|2,0,0]=4 15427 B13R1.1601 CCCOc1c(cc(cc1Cl)F)F 34a_100011935252_100000210303 [0,2,0,0,0,0|2,0,0]=4 15428 B13R1.1601 CCCOc1c(cc(cc1Cl)F)F 7a_100011935252_100000210303 [0,2,0,0,0,0|2,0,0]=4 15429 B13R1.1601 CCCOc1c(cc(cc1Cl)I)C 34a_200015900153_100000210303 [0,2,0,0,0,0|2,0,0]=4 15430 B13R1.1601 CCCOc1c(cc(cc1Cl)I)C 7a_200015900153_100000210303 [0,2,0,0,0,0|2,0,0]=4 15431 B13R1.1601 CCCOc1c(cc(cc1Cl)I)Cl 7a_100012339652_100000210303 [0,2,0,0,0,0|2,0,0]=4 15432 B13R1.1601 CCCOc1c(cc(cc1Cl)N)Cl 34a_100000695418_100000210303 [0,2,0,0,0,0|2,0,0]=4 15433 B13R1.1601 CCCOc1c(cc(cc1Cl)N)Cl 7a_100000695418_100000210303 [0,2,0,0,0,0|2,0,0]=4 15434 B13R1.1601 CCCOc1c(cc(cc1I)Cl)Cl 34a_200012339341_100000210303 [0,2,0,0,0,0|2,0,0]=4 15435 B13R1.1601 CCCOc1c(cc(cc1I)Cl)Cl 7a_200012339341_100000210303 [0,2,0,0,0,0|2,0,0]=4 15436 B13R1.1601 CCCOc1c(cc(cc1I)I)Cl 7a_100009997439_100000210303 [0,2,0,0,0,0|2,0,0]=4 15437 B13R1.1601 CCCSc1c(cc(cc1Br)Cl)Cl 62a_100000210303_200009992027 [0,2,0,0,0,0|2,0,0]=4 15438 B13R1.1601 CCCSc1c(cc(cc1Br)Cl)Cl 62a_200009992027_100000210303 [0,2,0,0,0,0|2,0,0]=4 15439 B13R1.1601 CCCSc1c(cc(cc1Br)F)Cl 62a_100000210303_100012356682 [0,2,0,0,0,0|2,0,0]=4 15440 B13R1.1601 CCCSc1c(cc(cc1Br)F)Cl 62a_100012356682_100000210303 [0,2,0,0,0,0|2,0,0]=4 15441 B13R1.1601 CCCSc1c(cc(cc1Cl)Br)Cl 62a_100000210303_200011263224 [0,2,0,0,0,0|2,0,0]=4 15442 B13R1.1601 CCCSc1c(cc(cc1Cl)Br)Cl 62a_200011263224_100000210303 [0,2,0,0,0,0|2,0,0]=4 15443 B13R1.1601 CCCSc1c(cc(cc1Cl)Br)F 62a_100000210303_100010212234 [0,2,0,0,0,0|2,0,0]=4 15444 B13R1.1601 CCCSc1c(cc(cc1Cl)Br)F 62a_100010212234_100000210303 [0,2,0,0,0,0|2,0,0]=4 15445 B13R1.1601 CCCSc1c(cc(cc1Cl)Cl)C 62a_100000210303_200000035511 [0,2,0,0,0,0|2,0,0]=4 15446 B13R1.1601 CCCSc1c(cc(cc1Cl)Cl)C 62a_200000035511_100000210303 [0,2,0,0,0,0|2,0,0]=4 15447 B13R1.1601 CCCSc1c(cc(cc1Cl)Cl)Cl 62a_100000210303_200011216440 [0,2,0,0,0,0|2,0,0]=4 15448 B13R1.1601 CCCSc1c(cc(cc1Cl)Cl)Cl 62a_200011216440_100000210303 [0,2,0,0,0,0|2,0,0]=4 15449 B13R1.1601 CCCSc1c(cc(cc1Cl)F)C 62a_100000210303_100010079234 [0,2,0,0,0,0|2,0,0]=4 15450 B13R1.1601 CCCSc1c(cc(cc1Cl)F)C 62a_100010079234_100000210303 [0,2,0,0,0,0|2,0,0]=4 15451 B13R1.1601 CCCSc1c(cc(cc1Cl)F)Cl 62a_100000210303_100010175091 [0,2,0,0,0,0|2,0,0]=4 15452 B13R1.1601 CCCSc1c(cc(cc1Cl)F)Cl 62a_100010175091_100000210303 [0,2,0,0,0,0|2,0,0]=4 15453 B13R1.1601 CCCSc1c(cc(cc1Cl)N)F 62a_100000210303_100014833993 [0,2,0,0,0,0|2,0,0]=4 15454 B13R1.1601 CCCSc1c(cc(cc1Cl)N)F 62a_100014833993_100000210303 [0,2,0,0,0,0|2,0,0]=4 15455 B13R1.1601 CCNCc1c(cc(cc1Br)F)Cl 207a_100015525214_100016221765 [0,2,0,0,0,0|2,0,0]=4 15456 B13R1.1601 CCNCc1c(cc(cc1Br)F)Cl 270004a_100015525214_100016221765 [0,2,0,0,0,0|2,0,0]=4 15457 B13R1.1601 CCNCc1c(cc(cc1Cl)Br)Cl 207a_100015525214_100010238519 [0,2,0,0,0,0|2,0,0]=4 15458 B13R1.1601 CCNCc1c(cc(cc1Cl)Br)Cl 270004a_100015525214_100010238519 [0,2,0,0,0,0|2,0,0]=4 15459 B13R1.1601 CCNCc1c(cc(cc1Cl)Br)F 207a_100015525214_100010827746 [0,2,0,0,0,0|2,0,0]=4 15460 B13R1.1601 CCNCc1c(cc(cc1Cl)Br)F 270004a_100015525214_100010827746 [0,2,0,0,0,0|2,0,0]=4 15461 B13R1.1601 CCNCc1c(cc(cc1Cl)C)Cl 207a_100015525214_100000093335 [0,2,0,0,0,0|2,0,0]=4 15462 B13R1.1601 CCNCc1c(cc(cc1Cl)C)Cl 270004a_100015525214_100000093335 [0,2,0,0,0,0|2,0,0]=4 15463 B13R1.1601 CCNCc1c(cc(cc1Cl)Cl)C 34a_200000031571_100000210202 [0,2,0,0,0,0|2,0,0]=4 15464 B13R1.1601 CCNCc1c(cc(cc1Cl)Cl)Cl 207a_100015525214_100012362488 [0,2,0,0,0,0|2,0,0]=4 15465 B13R1.1601 CCNCc1c(cc(cc1Cl)Cl)Cl 2230a_100015525214_100012339996 [0,2,0,0,0,0|2,0,0]=4 15466 B13R1.1601 CCNCc1c(cc(cc1Cl)Cl)Cl 270004a_100015525214_100012362488 [0,2,0,0,0,0|2,0,0]=4 15467 B13R1.1601 CCNCc1c(cc(cc1Cl)Cl)F 207a_100015525214_100000117891 [0,2,0,0,0,0|2,0,0]=4 15468 B13R1.1601 CCNCc1c(cc(cc1Cl)Cl)F 270004a_100015525214_100000117891 [0,2,0,0,0,0|2,0,0]=4 15469 B13R1.1601 CCNCc1c(cc(cc1Cl)Cl)O 270004a_100015525214_100011827663 [0,2,0,0,0,0|2,0,0]=4 15470 B13R1.1601 CCNCc1c(cc(cc1Cl)F)C 207a_100015525214_200015781908 [0,2,0,0,0,0|2,0,0]=4 15471 B13R1.1601 CCNCc1c(cc(cc1Cl)F)C 270004a_100015525214_200015781908 [0,2,0,0,0,0|2,0,0]=4 15472 B13R1.1601 CCNCc1c(cc(cc1Cl)F)Cl 207a_100015525214_100010271666 [0,2,0,0,0,0|2,0,0]=4 15473 B13R1.1601 CCNCc1c(cc(cc1Cl)F)Cl 270004a_100015525214_100010271666 [0,2,0,0,0,0|2,0,0]=4 15474 B13R1.1601 CCNCc1c(cc(cc1Cl)F)F 207a_100015525214_100009880014 [0,2,0,0,0,0|2,0,0]=4 15475 B13R1.1601 CCNCc1c(cc(cc1Cl)F)F 270004a_100015525214_100009880014 [0,2,0,0,0,0|2,0,0]=4 15476 B13R1.1601 CCNCc1c(cc(cc1Cl)I)Cl 207a_100015525214_200011001975 [0,2,0,0,0,0|2,0,0]=4 15477 B13R1.1601 CCOCc1c(cc(cc1Cl)Br)Cl 34a_100010009727_100000210202 [0,2,0,0,0,0|2,0,0]=4 15478 B13R1.1601 CCOCc1c(cc(cc1Cl)Br)Cl 7a_100010009727_100000210202 [0,2,0,0,0,0|2,0,0]=4 15479 B13R1.1601 CCOCc1c(cc(cc1Cl)Cl)Cl 34a_100000067030_100000210202 [0,2,0,0,0,0|2,0,0]=4 15480 B13R1.1601 CCOCc1c(cc(cc1Cl)Cl)Cl 34a_100121572206_100012339996 [0,2,0,0,0,0|2,0,0]=4 15481 B13R1.1601 CCOCc1c(cc(cc1Cl)Cl)Cl 7a_100000067030_100000210202 [0,2,0,0,0,0|2,0,0]=4 15482 B13R1.1601 CCOCc1c(cc(cc1Cl)I)Cl 7a_200011001976_100000210202 [0,2,0,0,0,0|2,0,0]=4 15483 B13R1.1601 CCSCc1c(cc(cc1Cl)Cl)Cl 62a_100000210202_100012339996 [0,2,0,0,0,0|2,0,0]=4 15484 B13R1.1601 CCSCc1c(cc(cc1Cl)Cl)Cl 62a_100012339996_100000210202 [0,2,0,0,0,0|2,0,0]=4 15485 B13R1.1601 CNCCc1c(cc(cc1C)C)C 2230a_100000692091_200000210301 [0,2,0,0,0,0|1,0,0]=3 15486 B13R1.1601 CNCCc1c(cc(cc1C)C)C 34a_100000692091_200000210301 [0,2,0,0,0,0|1,0,0]=3 15487 B13R1.1601 COCCc1c(cc(cc1C)C)C 34a_100011216341_200000210301 [0,2,0,0,0,0|2,0,0]=4 15488 B13R1.1601 COCCc1c(cc(cc1C)C)C 7a_100011216341_200000210301 [0,2,0,0,0,0|2,0,0]=4 15489 B13R1.1601 COCSc1c(cc(cc1Br)Cl)Cl 62a_100000766300_200009992027 [0,2,0,0,0,0|2,0,0]=4 15490 B13R1.1601 COCSc1c(cc(cc1Br)Cl)Cl 62a_200009992027_100000766300 [0,2,0,0,0,0|2,0,0]=4 15491 B13R1.1601 COCSc1c(cc(cc1Br)F)Cl 62a_100000766300_100012356682 [0,2,0,0,0,0|2,0,0]=4 15492 B13R1.1601 COCSc1c(cc(cc1Br)F)Cl 62a_100012356682_100000766300 [0,2,0,0,0,0|2,0,0]=4 15493 B13R1.1601 COCSc1c(cc(cc1Cl)Br)Cl 62a_100000766300_200011263224 [0,2,0,0,0,0|2,0,0]=4 15494 B13R1.1601 COCSc1c(cc(cc1Cl)Br)Cl 62a_200011263224_100000766300 [0,2,0,0,0,0|2,0,0]=4 15495 B13R1.1601 COCSc1c(cc(cc1Cl)Br)F 62a_100000766300_100010212234 [0,2,0,0,0,0|2,0,0]=4 15496 B13R1.1601 COCSc1c(cc(cc1Cl)Br)F 62a_100010212234_100000766300 [0,2,0,0,0,0|2,0,0]=4 15497 B13R1.1601 COCSc1c(cc(cc1Cl)Cl)C 62a_100000766300_200000035511 [0,2,0,0,0,0|2,0,0]=4 15498 B13R1.1601 COCSc1c(cc(cc1Cl)Cl)C 62a_200000035511_100000766300 [0,2,0,0,0,0|2,0,0]=4 15499 B13R1.1601 COCSc1c(cc(cc1Cl)Cl)Cl 62a_100000766300_200011216440 [0,2,0,0,0,0|2,0,0]=4 15500 B13R1.1601 COCSc1c(cc(cc1Cl)Cl)Cl 62a_200011216440_100000766300 [0,2,0,0,0,0|2,0,0]=4 15501 B13R1.1601 COCSc1c(cc(cc1Cl)F)C 62a_100000766300_100010079234 [0,2,0,0,0,0|2,0,0]=4 15502 B13R1.1601 COCSc1c(cc(cc1Cl)F)C 62a_100010079234_100000766300 [0,2,0,0,0,0|2,0,0]=4 15503 B13R1.1601 COCSc1c(cc(cc1Cl)F)Cl 62a_100000766300_100010175091 [0,2,0,0,0,0|2,0,0]=4 15504 B13R1.1601 COCSc1c(cc(cc1Cl)F)Cl 62a_100010175091_100000766300 [0,2,0,0,0,0|2,0,0]=4 15505 B13R1.1601 COCSc1c(cc(cc1Cl)N)F 62a_100000766300_100014833993 [0,2,0,0,0,0|2,0,0]=4 15506 B13R1.1601 COCSc1c(cc(cc1Cl)N)F 62a_100014833993_100000766300 [0,2,0,0,0,0|2,0,0]=4 15507 B13R1.1601 CSCNc1c(cc(cc1Br)Br)Cl 34a_100011216035_100011218213 [0,2,0,0,0,0|2,0,0]=4 15508 B13R1.1601 CSCNc1c(cc(cc1Br)C)Cl 34a_100012339639_100011218213 [0,2,0,0,0,0|2,0,0]=4 15509 B13R1.1601 CSCNc1c(cc(cc1Br)Cl)Cl 34a_100011218119_100011218213 [0,2,0,0,0,0|2,0,0]=4 15510 B13R1.1601 CSCNc1c(cc(cc1Br)F)Cl 34a_100000694656_100011218213 [0,2,0,0,0,0|2,0,0]=4 15511 B13R1.1601 CSCNc1c(cc(cc1Cl)Br)C 34a_100000741131_100011218213 [0,2,0,0,0,0|2,0,0]=4 15512 B13R1.1601 CSCNc1c(cc(cc1Cl)Br)Cl 34a_100000211608_100011218213 [0,2,0,0,0,0|2,0,0]=4 15513 B13R1.1601 CSCNc1c(cc(cc1Cl)Br)F 34a_100000725741_100011218213 [0,2,0,0,0,0|2,0,0]=4 15514 B13R1.1601 CSCNc1c(cc(cc1Cl)C)C 34a_100000211461_100011218213 [0,2,0,0,0,0|2,0,0]=4 15515 B13R1.1601 CSCNc1c(cc(cc1Cl)C)Cl 34a_100011996032_100011218213 [0,2,0,0,0,0|2,0,0]=4 15516 B13R1.1601 CSCNc1c(cc(cc1Cl)C)O 34a_100015906060_100011218213 [0,2,0,0,0,0|2,0,0]=4 15517 B13R1.1601 CSCNc1c(cc(cc1Cl)Cl)C 34a_100011215104_100011218213 [0,2,0,0,0,0|2,0,0]=4 15518 B13R1.1601 CSCNc1c(cc(cc1Cl)Cl)Cl 34a_100000210601_100011218213 [0,2,0,0,0,0|2,0,0]=4 15519 B13R1.1601 CSCNc1c(cc(cc1Cl)Cl)F 34a_100000688862_100011218213 [0,2,0,0,0,0|2,0,0]=4 15520 B13R1.1601 CSCNc1c(cc(cc1Cl)F)C 34a_100000725997_100011218213 [0,2,0,0,0,0|2,0,0]=4 15521 B13R1.1601 CSCNc1c(cc(cc1Cl)F)Cl 34a_100000688861_100011218213 [0,2,0,0,0,0|2,0,0]=4 15522 B13R1.1601 CSCNc1c(cc(cc1Cl)F)F 34a_100000688773_100011218213 [0,2,0,0,0,0|2,0,0]=4 15523 B13R1.1601 CSCOc1c(cc(cc1Br)Br)Cl 34a_100012337755_100011218213 [0,2,0,0,0,0|2,0,0]=4 15524 B13R1.1601 CSCOc1c(cc(cc1Br)Cl)Cl 34a_200000243811_100011218213 [0,2,0,0,0,0|2,0,0]=4 15525 B13R1.1601 CSCOc1c(cc(cc1Br)F)Cl 34a_100011830411_100011218213 [0,2,0,0,0,0|2,0,0]=4 15526 B13R1.1601 CSCOc1c(cc(cc1Cl)Br)C 34a_100000211485_100011218213 [0,2,0,0,0,0|2,0,0]=4 15527 B13R1.1601 CSCOc1c(cc(cc1Cl)Br)Cl 34a_100000753780_100011218213 [0,2,0,0,0,0|2,0,0]=4 15528 B13R1.1601 CSCOc1c(cc(cc1Cl)Br)F 34a_100011216646_100011218213 [0,2,0,0,0,0|2,0,0]=4 15529 B13R1.1601 CSCOc1c(cc(cc1Cl)Br)N 34a_100000694353_100011218213 [0,2,0,0,0,0|2,0,0]=4 15530 B13R1.1601 CSCOc1c(cc(cc1Cl)C)Cl 34a_100000034925_100011218213 [0,2,0,0,0,0|2,0,0]=4 15531 B13R1.1601 CSCOc1c(cc(cc1Cl)Cl)C 34a_100011218458_100011218213 [0,2,0,0,0,0|2,0,0]=4 15532 B13R1.1601 CSCOc1c(cc(cc1Cl)Cl)Cl 34a_100000210218_100011218213 [0,2,0,0,0,0|2,0,0]=4 15533 B13R1.1601 CSCOc1c(cc(cc1Cl)Cl)N 34a_100000695819_100011218213 [0,2,0,0,0,0|2,0,0]=4 15534 B13R1.1601 CSCOc1c(cc(cc1Cl)F)Cl 34a_100011217724_100011218213 [0,2,0,0,0,0|2,0,0]=4 15535 B13R1.1601 CSCOc1c(cc(cc1Cl)F)F 34a_100011935252_100011218213 [0,2,0,0,0,0|2,0,0]=4 15536 B13R1.1601 CSCOc1c(cc(cc1Cl)I)C 34a_200015900153_100011218213 [0,2,0,0,0,0|2,0,0]=4 15537 B13R1.1601 CSCOc1c(cc(cc1Cl)N)Cl 34a_100000695418_100011218213 [0,2,0,0,0,0|2,0,0]=4 15538 B13R1.1601 CSCOc1c(cc(cc1I)Cl)Cl 34a_200012339341_100011218213 [0,2,0,0,0,0|2,0,0]=4 15539 B13R1.1601 CSCSc1c(cc(cc1Br)Cl)Cl 62a_100011218213_200009992027 [0,2,0,0,0,0|2,0,0]=4 15540 B13R1.1601 CSCSc1c(cc(cc1Br)Cl)Cl 62a_200009992027_100011218213 [0,2,0,0,0,0|2,0,0]=4 15541 B13R1.1601 CSCSc1c(cc(cc1Br)F)Cl 62a_100011218213_100012356682 [0,2,0,0,0,0|2,0,0]=4 15542 B13R1.1601 CSCSc1c(cc(cc1Br)F)Cl 62a_100012356682_100011218213 [0,2,0,0,0,0|2,0,0]=4 15543 B13R1.1601 CSCSc1c(cc(cc1Cl)Br)Cl 62a_100011218213_200011263224 [0,2,0,0,0,0|2,0,0]=4 15544 B13R1.1601 CSCSc1c(cc(cc1Cl)Br)Cl 62a_200011263224_100011218213 [0,2,0,0,0,0|2,0,0]=4 15545 B13R1.1601 CSCSc1c(cc(cc1Cl)Br)F 62a_100010212234_100011218213 [0,2,0,0,0,0|2,0,0]=4 15546 B13R1.1601 CSCSc1c(cc(cc1Cl)Br)F 62a_100011218213_100010212234 [0,2,0,0,0,0|2,0,0]=4 15547 B13R1.1601 CSCSc1c(cc(cc1Cl)Cl)C 62a_100011218213_200000035511 [0,2,0,0,0,0|2,0,0]=4 15548 B13R1.1601 CSCSc1c(cc(cc1Cl)Cl)C 62a_200000035511_100011218213 [0,2,0,0,0,0|2,0,0]=4 15549 B13R1.1601 CSCSc1c(cc(cc1Cl)Cl)Cl 62a_100011218213_200011216440 [0,2,0,0,0,0|2,0,0]=4 15550 B13R1.1601 CSCSc1c(cc(cc1Cl)Cl)Cl 62a_200011216440_100011218213 [0,2,0,0,0,0|2,0,0]=4 15551 B13R1.1601 CSCSc1c(cc(cc1Cl)F)C 62a_100010079234_100011218213 [0,2,0,0,0,0|2,0,0]=4 15552 B13R1.1601 CSCSc1c(cc(cc1Cl)F)C 62a_100011218213_100010079234 [0,2,0,0,0,0|2,0,0]=4 15553 B13R1.1601 CSCSc1c(cc(cc1Cl)F)Cl 62a_100010175091_100011218213 [0,2,0,0,0,0|2,0,0]=4 15554 B13R1.1601 CSCSc1c(cc(cc1Cl)F)Cl 62a_100011218213_100010175091 [0,2,0,0,0,0|2,0,0]=4 15555 B13R1.1601 CSCSc1c(cc(cc1Cl)N)F 62a_100011218213_100014833993 [0,2,0,0,0,0|2,0,0]=4 15556 B13R1.1601 CSCSc1c(cc(cc1Cl)N)F 62a_100014833993_100011218213 [0,2,0,0,0,0|2,0,0]=4 15557 B13R1.1601 Cc1cc(c(c(c1)C)CCN[13CH3])C 2230a_100000692091_200025704644 [0,2,0,0,0,0|1,0,0]=3 15558 B13R1.1601 Cc1cc(c(c(c1)C)CCN[13CH3])C 34a_100000692091_200025704644 [0,2,0,0,0,0|1,0,0]=3 15559 B13R1.1601 Cc1cc(c(c(c1)C)CCO[13CH3])C 34a_100011216341_200025704644 [0,2,0,0,0,0|2,0,0]=4 15560 B13R1.1601 Cc1cc(c(c(c1)C)CCO[13CH3])C 7a_100011216341_200025704644 [0,2,0,0,0,0|2,0,0]=4 15561 B13R1.1630 CCCCc1cc(c(cc1Br)Br)Br 271570a_100020621405_100010151546 [0,2,0,0,0,0|1,1,0]=4 15562 B13R1.1630 CCCCc1cc(c(cc1Br)Br)F 271570a_100020621405_200010212206 [0,2,0,0,0,0|1,1,0]=4 15563 B13R1.1630 CCCCc1cc(c(cc1Br)C)Br 271570a_100020621405_100012929169 [0,2,0,0,0,0|1,1,0]=4 15564 B13R1.1630 CCCCc1cc(c(cc1Br)C)F 271570a_100020621405_200009814774 [0,2,0,0,0,0|1,1,0]=4 15565 B13R1.1630 CCCCc1cc(c(cc1Br)Cl)F 271570a_100020621405_100010254745 [0,2,0,0,0,0|1,1,0]=4 15566 B13R1.1630 CCCCc1cc(c(cc1Br)Cl)O 271570a_100020621405_100021297947 [0,2,0,0,0,0|1,1,0]=4 15567 B13R1.1630 CCCCc1cc(c(cc1Br)F)C 271570a_100020621405_200009814773 [0,2,0,0,0,0|1,1,0]=4 15568 B13R1.1630 CCCCc1cc(c(cc1Br)F)F 271570a_100020621405_100010259568 [0,2,0,0,0,0|1,1,0]=4 15569 B13R1.1630 CCCCc1cc(c(cc1C)Br)C 271570a_100020621405_100011356911 [0,2,0,0,0,0|2,0,0]=4 15570 B13R1.1630 CCCCc1cc(c(cc1C)Br)Cl 271570a_100020621405_200009814780 [0,2,0,0,0,0|2,0,0]=4 15571 B13R1.1630 CCCCc1cc(c(cc1C)Br)F 271570a_100020621405_100011356895 [0,2,0,0,0,0|2,0,0]=4 15572 B13R1.1630 CCCCc1cc(c(cc1C)C)C 271570a_100020621405_100000759388 [0,2,0,0,0,0|2,0,0]=4 15573 B13R1.1630 CCCCc1cc(c(cc1C)C)N 271570a_100020621405_100000703630 [0,2,0,0,0,0|2,0,0]=4 15574 B13R1.1630 CCCCc1cc(c(cc1C)Cl)C 271570a_100020621405_100012357408 [0,2,0,0,0,0|2,0,0]=4 15575 B13R1.1630 CCCCc1cc(c(cc1C)F)Br 271570a_100020621405_100011216669 [0,2,0,0,0,0|2,0,0]=4 15576 B13R1.1630 CCCCc1cc(c(cc1C)F)C 271570a_100020621405_100010212296 [0,2,0,0,0,0|2,0,0]=4 15577 B13R1.1630 CCCCc1cc(c(cc1C)F)F 271570a_100020621405_100009815990 [0,2,0,0,0,0|2,0,0]=4 15578 B13R1.1630 CCCCc1cc(c(cc1C)F)N 271570a_100020621405_100011014115 [0,2,0,0,0,0|2,0,0]=4 15579 B13R1.1630 CCCCc1cc(c(cc1C)F)O 271570a_100020621405_100010068922 [0,2,0,0,0,0|2,0,0]=4 15580 B13R1.1630 CCCCc1cc(c(cc1C)N)C 271570a_100020621405_100011934712 [0,2,0,0,0,0|2,0,0]=4 15581 B13R1.1630 CCCCc1cc(c(cc1C)N)F 271570a_100020621405_100000691575 [0,2,0,0,0,0|2,0,0]=4 15582 B13R1.1630 CCCCc1cc(c(cc1C)N)N 271570a_100020621405_100010080480 [0,2,0,0,0,0|2,0,0]=4 15583 B13R1.1630 CCCCc1cc(c(cc1C)N)O 271570a_100020621405_200010107346 [0,2,0,0,0,0|2,0,0]=4 15584 B13R1.1630 CCCCc1cc(c(cc1C)O)C 271570a_100020621405_100000698207 [0,2,0,0,0,0|2,0,0]=4 15585 B13R1.1630 CCCCc1cc(c(cc1C)O)F 271570a_100020621405_100012355673 [0,2,0,0,0,0|2,0,0]=4 15586 B13R1.1630 CCCCc1cc(c(cc1C)O)N 271570a_100020621405_200010235796 [0,2,0,0,0,0|2,0,0]=4 15587 B13R1.1630 CCCCc1cc(c(cc1Cl)Br)C 271570a_100020621405_100010259621 [0,2,0,0,0,0|1,0,0]=3 15588 B13R1.1630 CCCCc1cc(c(cc1Cl)Br)Cl 271570a_100020621405_200010244590 [0,2,0,0,0,0|1,0,0]=3 15589 B13R1.1630 CCCCc1cc(c(cc1Cl)Br)F 271570a_100020621405_100010212230 [0,2,0,0,0,0|1,0,0]=3 15590 B13R1.1630 CCCCc1cc(c(cc1Cl)Cl)Cl 271570a_100020621405_200011216203 [0,2,0,0,0,0|1,0,0]=3 15591 B13R1.1630 CCCCc1cc(c(cc1Cl)Cl)N 271570a_100020621405_100016224655 [0,2,0,0,0,0|1,0,0]=3 15592 B13R1.1630 CCCCc1cc(c(cc1Cl)F)F 271570a_100020621405_100012349977 [0,2,0,0,0,0|1,0,0]=3 15593 B13R1.1630 CCCCc1cc(c(cc1Cl)O)N 271570a_100020621405_100011011175 [0,2,0,0,0,0|1,0,0]=3 15594 B13R1.1630 CCCCc1cc(c(cc1F)Br)Br 271570a_100020621405_200010212210 [0,2,0,0,0,0|1,1,0]=4 15595 B13R1.1630 CCCCc1cc(c(cc1F)Br)C 271570a_100020621405_200009814772 [0,2,0,0,0,0|1,1,0]=4 15596 B13R1.1630 CCCCc1cc(c(cc1F)Br)F 271570a_100020621405_100011356857 [0,2,0,0,0,0|1,1,0]=4 15597 B13R1.1630 CCCCc1cc(c(cc1F)C)Br 271570a_100020621405_100011068846 [0,2,0,0,0,0|1,1,0]=4 15598 B13R1.1630 CCCCc1cc(c(cc1F)C)C 271570a_100020621405_100010197417 [0,2,0,0,0,0|1,1,0]=4 15599 B13R1.1630 CCCCc1cc(c(cc1F)C)F 271570a_100020621405_100011219510 [0,2,0,0,0,0|1,1,0]=4 15600 B13R1.1630 CCCCc1cc(c(cc1F)C)N 271570a_100020621405_100000717900 [0,2,0,0,0,0|1,1,0]=4 15601 B13R1.1630 CCCCc1cc(c(cc1F)C)O 271570a_100020621405_100014242602 [0,2,0,0,0,0|1,1,0]=4 15602 B13R1.1630 CCCCc1cc(c(cc1F)Cl)F 271570a_100020621405_100010142863 [0,2,0,0,0,0|1,1,0]=4 15603 B13R1.1630 CCCCc1cc(c(cc1F)Cl)O 271570a_100020621405_100010735246 [0,2,0,0,0,0|1,1,0]=4 15604 B13R1.1630 CCCCc1cc(c(cc1F)F)Br 271570a_100020621405_100011356914 [0,2,0,0,0,0|1,1,0]=4 15605 B13R1.1630 CCCCc1cc(c(cc1F)F)C 271570a_100020621405_100000692463 [0,2,0,0,0,0|1,1,0]=4 15606 B13R1.1630 CCCCc1cc(c(cc1F)F)F 271570a_100020621405_100000686897 [0,2,0,0,0,0|1,1,0]=4 15607 B13R1.1630 CCCCc1cc(c(cc1F)F)N 271570a_100020621405_100000700208 [0,2,0,0,0,0|1,1,0]=4 15608 B13R1.1630 CCCCc1cc(c(cc1F)F)O 271570a_100020621405_100012457948 [0,2,0,0,0,0|1,1,0]=4 15609 B13R1.1630 CCCCc1cc(c(cc1F)N)C 271570a_100020621405_100000695870 [0,2,0,0,0,0|1,1,0]=4 15610 B13R1.1630 CCCCc1cc(c(cc1F)N)F 271570a_100020621405_100000690247 [0,2,0,0,0,0|1,1,0]=4 15611 B13R1.1630 CCCCc1cc(c(cc1F)N)N 271570a_100020621405_100000766667 [0,2,0,0,0,0|1,1,0]=4 15612 B13R1.1630 CCCCc1cc(c(cc1F)N)O 271570a_100020621405_100013038943 [0,2,0,0,0,0|1,1,0]=4 15613 B13R1.1630 CCCCc1cc(c(cc1F)O)F 271570a_100020621405_100011830439 [0,2,0,0,0,0|1,1,0]=4 15614 B13R1.1630 CCCCc1cc(c(cc1F)O)N 271570a_100020621405_100012359894 [0,2,0,0,0,0|1,1,0]=4 15615 B13R1.1630 CCCCc1cc(c(cc1N)Br)C 271570a_100020621405_200015600912 [0,2,0,0,0,0|2,0,0]=4 15616 B13R1.1630 CCCCc1cc(c(cc1N)Br)F 271570a_100020621405_200021016574 [0,2,0,0,0,0|2,0,0]=4 15617 B13R1.1630 CCCCc1cc(c(cc1N)C)C 271570a_100020621405_100012337760 [0,2,0,0,0,0|2,0,0]=4 15618 B13R1.1630 CCCCc1cc(c(cc1N)C)F 271570a_100020621405_100010233353 [0,2,0,0,0,0|2,0,0]=4 15619 B13R1.1630 CCCCc1cc(c(cc1N)Cl)Cl 271570a_100020621405_200011093942 [0,2,0,0,0,0|2,0,0]=4 15620 B13R1.1630 CCCCc1cc(c(cc1N)Cl)F 271570a_100020621405_200010992381 [0,2,0,0,0,0|2,0,0]=4 15621 B13R1.1630 CCCCc1cc(c(cc1N)F)Br 271570a_100020621405_100010888672 [0,2,0,0,0,0|2,0,0]=4 15622 B13R1.1630 CCCCc1cc(c(cc1N)F)C 271570a_100020621405_100011218008 [0,2,0,0,0,0|2,0,0]=4 15623 B13R1.1630 CCCCc1cc(c(cc1N)F)Cl 271570a_100020621405_100010892166 [0,2,0,0,0,0|2,0,0]=4 15624 B13R1.1630 CCCCc1cc(c(cc1N)F)F 271570a_100020621405_100000765032 [0,2,0,0,0,0|2,0,0]=4 15625 B13R1.1630 CCCCc1cc(c(cc1N)N)C 271570a_100020621405_200013038441 [0,2,0,0,0,0|2,0,0]=4 15626 B13R1.1630 CCCCc1cc(c(cc1N)N)F 271570a_100020621405_200010115645 [0,2,0,0,0,0|2,0,0]=4 15627 B13R1.1630 CCCCc1cc(c(cc1O)C)C 271570a_100020621405_100009814663 [0,2,0,0,0,0|2,0,0]=4 15628 B13R1.1630 CCCCc1cc(c(cc1O)F)F 271570a_100020621405_100009813768 [0,2,0,0,0,0|2,0,0]=4 15629 B13R1.1630 CCCCc1nc(c(cc1Cl)N)N 271570a_100020621405_100160470741 [0,2,0,0,0,0|2,0,0]=4 15630 B13R1.1630 CCCNc1cc(c(cc1Cl)Br)Cl 34a_100000246133_100000210303 [0,2,0,0,0,0|2,0,0]=4 15631 B13R1.1630 CCCNc1cc(c(cc1Cl)Br)Cl 7a_100000246133_100000210303 [0,2,0,0,0,0|2,0,0]=4 15632 B13R1.1630 CCCNc1cc(c(cc1Cl)Br)F 34a_100000688864_100000210303 [0,2,0,0,0,0|2,0,0]=4 15633 B13R1.1630 CCCNc1cc(c(cc1Cl)Br)F 7a_100000688864_100000210303 [0,2,0,0,0,0|2,0,0]=4 15634 B13R1.1630 CCCNc1cc(c(cc1Cl)C)C 34a_100012183282_100000210303 [0,2,0,0,0,0|2,0,0]=4 15635 B13R1.1630 CCCNc1cc(c(cc1Cl)C)C 7a_100012183282_100000210303 [0,2,0,0,0,0|2,0,0]=4 15636 B13R1.1630 CCCNc1cc(c(cc1Cl)C)O 34a_100000092876_100000210303 [0,2,0,0,0,0|2,0,0]=4 15637 B13R1.1630 CCCNc1cc(c(cc1Cl)C)O 7a_100000092876_100000210303 [0,2,0,0,0,0|2,0,0]=4 15638 B13R1.1630 CCCNc1cc(c(cc1Cl)Cl)Br 34a_200012360370_100000210303 [0,2,0,0,0,0|2,0,0]=4 15639 B13R1.1630 CCCNc1cc(c(cc1Cl)Cl)Br 7a_200012360370_100000210303 [0,2,0,0,0,0|2,0,0]=4 15640 B13R1.1630 CCCNc1cc(c(cc1Cl)Cl)C 34a_100012000392_100000210303 [0,2,0,0,0,0|2,0,0]=4 15641 B13R1.1630 CCCNc1cc(c(cc1Cl)Cl)C 7a_100012000392_100000210303 [0,2,0,0,0,0|2,0,0]=4 15642 B13R1.1630 CCCNc1cc(c(cc1Cl)Cl)Cl 34a_100000211015_100000210303 [0,2,0,0,0,0|2,0,0]=4 15643 B13R1.1630 CCCNc1cc(c(cc1Cl)Cl)Cl 7a_100000211015_100000210303 [0,2,0,0,0,0|2,0,0]=4 15644 B13R1.1630 CCCNc1cc(c(cc1Cl)Cl)F 34a_100012017157_100000210303 [0,2,0,0,0,0|2,0,0]=4 15645 B13R1.1630 CCCNc1cc(c(cc1Cl)Cl)F 7a_100012017157_100000210303 [0,2,0,0,0,0|2,0,0]=4 15646 B13R1.1630 CCCNc1cc(c(cc1Cl)Cl)I 7a_100016224655_100000210303 [0,2,0,0,0,0|2,0,0]=4 15647 B13R1.1630 CCCNc1cc(c(cc1Cl)Cl)O 34a_100000037174_100000210303 [0,2,0,0,0,0|2,0,0]=4 15648 B13R1.1630 CCCNc1cc(c(cc1Cl)Cl)O 7a_100000037174_100000210303 [0,2,0,0,0,0|2,0,0]=4 15649 B13R1.1630 CCCNc1cc(c(cc1Cl)F)Br 34a_100000685351_100000210303 [0,2,0,0,0,0|2,0,0]=4 15650 B13R1.1630 CCCNc1cc(c(cc1Cl)F)Br 7a_100000685351_100000210303 [0,2,0,0,0,0|2,0,0]=4 15651 B13R1.1630 CCCNc1cc(c(cc1Cl)F)C 34a_100000729549_100000210303 [0,2,0,0,0,0|2,0,0]=4 15652 B13R1.1630 CCCNc1cc(c(cc1Cl)F)C 7a_100000729549_100000210303 [0,2,0,0,0,0|2,0,0]=4 15653 B13R1.1630 CCCNc1cc(c(cc1Cl)F)Cl 34a_100000085081_100000210303 [0,2,0,0,0,0|2,0,0]=4 15654 B13R1.1630 CCCNc1cc(c(cc1Cl)F)Cl 7a_100000085081_100000210303 [0,2,0,0,0,0|2,0,0]=4 15655 B13R1.1630 CCCNc1cc(c(cc1Cl)F)F 34a_100000766337_100000210303 [0,2,0,0,0,0|2,0,0]=4 15656 B13R1.1630 CCCNc1cc(c(cc1Cl)F)F 7a_100000766337_100000210303 [0,2,0,0,0,0|2,0,0]=4 15657 B13R1.1630 CCCNc1cc(c(cc1Cl)O)Cl 34a_100012000071_100000210303 [0,2,0,0,0,0|2,0,0]=4 15658 B13R1.1630 CCCNc1cc(c(cc1Cl)O)Cl 7a_100012000071_100000210303 [0,2,0,0,0,0|2,0,0]=4 15659 B13R1.1630 CCCNc1cc(c(cc1Cl)O)F 34a_100009886023_100000210303 [0,2,0,0,0,0|2,0,0]=4 15660 B13R1.1630 CCCNc1cc(c(cc1Cl)O)F 7a_100009886023_100000210303 [0,2,0,0,0,0|2,0,0]=4 15661 B13R1.1630 CCCOc1cc(c(cc1Cl)Br)C 34a_200012350488_100000210303 [0,2,0,0,0,0|2,0,0]=4 15662 B13R1.1630 CCCOc1cc(c(cc1Cl)Br)C 7a_200012350488_100000210303 [0,2,0,0,0,0|2,0,0]=4 15663 B13R1.1630 CCCOc1cc(c(cc1Cl)Br)Cl 34a_100000719705_100000210303 [0,2,0,0,0,0|2,0,0]=4 15664 B13R1.1630 CCCOc1cc(c(cc1Cl)Br)Cl 7a_100000719705_100000210303 [0,2,0,0,0,0|2,0,0]=4 15665 B13R1.1630 CCCOc1cc(c(cc1Cl)Br)F 34a_100000726166_100000210303 [0,2,0,0,0,0|2,0,0]=4 15666 B13R1.1630 CCCOc1cc(c(cc1Cl)Br)F 7a_100000726166_100000210303 [0,2,0,0,0,0|2,0,0]=4 15667 B13R1.1630 CCCOc1cc(c(cc1Cl)Br)I 34a_100021297947_100000210303 [0,2,0,0,0,0|2,0,0]=4 15668 B13R1.1630 CCCOc1cc(c(cc1Cl)Br)I 7a_100021297947_100000210303 [0,2,0,0,0,0|2,0,0]=4 15669 B13R1.1630 CCCOc1cc(c(cc1Cl)C)C 34a_100000031796_100000210303 [0,2,0,0,0,0|2,0,0]=4 15670 B13R1.1630 CCCOc1cc(c(cc1Cl)C)C 7a_100000031796_100000210303 [0,2,0,0,0,0|2,0,0]=4 15671 B13R1.1630 CCCOc1cc(c(cc1Cl)C)N 34a_100009961766_100000210303 [0,2,0,0,0,0|2,0,0]=4 15672 B13R1.1630 CCCOc1cc(c(cc1Cl)C)N 7a_100009961766_100000210303 [0,2,0,0,0,0|2,0,0]=4 15673 B13R1.1630 CCCOc1cc(c(cc1Cl)Cl)Br 34a_100010203734_100000210303 [0,2,0,0,0,0|2,0,0]=4 15674 B13R1.1630 CCCOc1cc(c(cc1Cl)Cl)Br 7a_100010203734_100000210303 [0,2,0,0,0,0|2,0,0]=4 15675 B13R1.1630 CCCOc1cc(c(cc1Cl)Cl)C 34a_100012002691_100000210303 [0,2,0,0,0,0|2,0,0]=4 15676 B13R1.1630 CCCOc1cc(c(cc1Cl)Cl)C 7a_100012002691_100000210303 [0,2,0,0,0,0|2,0,0]=4 15677 B13R1.1630 CCCOc1cc(c(cc1Cl)Cl)Cl 34a_100000211312_100000210303 [0,2,0,0,0,0|2,0,0]=4 15678 B13R1.1630 CCCOc1cc(c(cc1Cl)Cl)Cl 7a_100000211312_100000210303 [0,2,0,0,0,0|2,0,0]=4 15679 B13R1.1630 CCCOc1cc(c(cc1Cl)Cl)N 34a_100000037174_100000210303 [0,2,0,0,0,0|2,0,0]=4 15680 B13R1.1630 CCCOc1cc(c(cc1Cl)Cl)N 7a_100000037174_100000210303 [0,2,0,0,0,0|2,0,0]=4 15681 B13R1.1630 CCCOc1cc(c(cc1Cl)F)Br 34a_100010189047_100000210303 [0,2,0,0,0,0|2,0,0]=4 15682 B13R1.1630 CCCOc1cc(c(cc1Cl)F)Br 7a_100010189047_100000210303 [0,2,0,0,0,0|2,0,0]=4 15683 B13R1.1630 CCCOc1cc(c(cc1Cl)F)F 34a_100009848785_100000210303 [0,2,0,0,0,0|2,0,0]=4 15684 B13R1.1630 CCCOc1cc(c(cc1Cl)F)F 7a_100009848785_100000210303 [0,2,0,0,0,0|2,0,0]=4 15685 B13R1.1630 CCCOc1cc(c(cc1Cl)F)I 34a_100010735246_100000210303 [0,2,0,0,0,0|2,0,0]=4 15686 B13R1.1630 CCCOc1cc(c(cc1Cl)F)I 7a_100010735246_100000210303 [0,2,0,0,0,0|2,0,0]=4 15687 B13R1.1630 CCCOc1cc(c(cc1Cl)F)N 34a_100000042052_100000210303 [0,2,0,0,0,0|2,0,0]=4 15688 B13R1.1630 CCCOc1cc(c(cc1Cl)F)N 7a_100000042052_100000210303 [0,2,0,0,0,0|2,0,0]=4 15689 B13R1.1630 CCCOc1cc(c(cc1Cl)N)Cl 34a_100012000071_100000210303 [0,2,0,0,0,0|2,0,0]=4 15690 B13R1.1630 CCCOc1cc(c(cc1Cl)N)Cl 7a_100012000071_100000210303 [0,2,0,0,0,0|2,0,0]=4 15691 B13R1.1630 CCCSc1cc(c(cc1Cl)Br)C 62a_100000210303_100010259621 [0,2,0,0,0,0|2,0,0]=4 15692 B13R1.1630 CCCSc1cc(c(cc1Cl)Br)C 62a_100010259621_100000210303 [0,2,0,0,0,0|2,0,0]=4 15693 B13R1.1630 CCCSc1cc(c(cc1Cl)Br)Cl 62a_100000210303_200010244590 [0,2,0,0,0,0|2,0,0]=4 15694 B13R1.1630 CCCSc1cc(c(cc1Cl)Br)Cl 62a_200010244590_100000210303 [0,2,0,0,0,0|2,0,0]=4 15695 B13R1.1630 CCCSc1cc(c(cc1Cl)Br)F 62a_100000210303_100010212230 [0,2,0,0,0,0|2,0,0]=4 15696 B13R1.1630 CCCSc1cc(c(cc1Cl)Br)F 62a_100010212230_100000210303 [0,2,0,0,0,0|2,0,0]=4 15697 B13R1.1630 CCCSc1cc(c(cc1Cl)Cl)Cl 62a_100000210303_200011216203 [0,2,0,0,0,0|2,0,0]=4 15698 B13R1.1630 CCCSc1cc(c(cc1Cl)Cl)Cl 62a_200011216203_100000210303 [0,2,0,0,0,0|2,0,0]=4 15699 B13R1.1630 CCCSc1cc(c(cc1Cl)Cl)N 62a_100000210303_100016224655 [0,2,0,0,0,0|2,0,0]=4 15700 B13R1.1630 CCCSc1cc(c(cc1Cl)Cl)N 62a_100016224655_100000210303 [0,2,0,0,0,0|2,0,0]=4 15701 B13R1.1630 CCCSc1cc(c(cc1Cl)F)F 62a_100000210303_100012349977 [0,2,0,0,0,0|2,0,0]=4 15702 B13R1.1630 CCCSc1cc(c(cc1Cl)F)F 62a_100012349977_100000210303 [0,2,0,0,0,0|2,0,0]=4 15703 B13R1.1630 CCCSc1cc(c(cc1Cl)O)N 62a_100000210303_100011011175 [0,2,0,0,0,0|2,0,0]=4 15704 B13R1.1630 CCCSc1cc(c(cc1Cl)O)N 62a_100011011175_100000210303 [0,2,0,0,0,0|2,0,0]=4 15705 B13R1.1630 CCNCc1cc(c(cc1Cl)Br)F 207a_100015525214_100010172941 [0,2,0,0,0,0|2,0,0]=4 15706 B13R1.1630 CCNCc1cc(c(cc1Cl)Br)F 270004a_100015525214_100010172941 [0,2,0,0,0,0|2,0,0]=4 15707 B13R1.1630 CCNCc1cc(c(cc1Cl)Cl)Cl 207a_100015525214_100010220946 [0,2,0,0,0,0|2,0,0]=4 15708 B13R1.1630 CCNCc1cc(c(cc1Cl)Cl)Cl 2230a_100015525214_100010220947 [0,2,0,0,0,0|2,0,0]=4 15709 B13R1.1630 CCNCc1cc(c(cc1Cl)Cl)Cl 270004a_100015525214_100010220946 [0,2,0,0,0,0|2,0,0]=4 15710 B13R1.1630 CCNCc1cc(c(cc1Cl)Cl)F 207a_100015525214_100000036543 [0,2,0,0,0,0|2,0,0]=4 15711 B13R1.1630 CCNCc1cc(c(cc1Cl)Cl)F 2230a_100015525214_100009813697 [0,2,0,0,0,0|2,0,0]=4 15712 B13R1.1630 CCNCc1cc(c(cc1Cl)Cl)F 2230a_114828290983_100000210202 [0,2,0,0,0,0|2,0,0]=4 15713 B13R1.1630 CCNCc1cc(c(cc1Cl)Cl)F 270004a_100015525214_100000036543 [0,2,0,0,0,0|2,0,0]=4 15714 B13R1.1630 CCNCc1cc(c(cc1Cl)Cl)F 34a_114828290983_100000210202 [0,2,0,0,0,0|2,0,0]=4 15715 B13R1.1630 CCNCc1cc(c(cc1Cl)F)Br 207a_100015525214_100015727512 [0,2,0,0,0,0|2,0,0]=4 15716 B13R1.1630 CCNCc1cc(c(cc1Cl)F)Br 270004a_100015525214_100015727512 [0,2,0,0,0,0|2,0,0]=4 15717 B13R1.1630 CCNCc1cc(c(cc1Cl)F)Cl 207a_100015525214_100010623807 [0,2,0,0,0,0|2,0,0]=4 15718 B13R1.1630 CCNCc1cc(c(cc1Cl)F)Cl 270004a_100015525214_100010623807 [0,2,0,0,0,0|2,0,0]=4 15719 B13R1.1630 CCNCc1cc(c(cc1Cl)F)F 207a_100015525214_100011998482 [0,2,0,0,0,0|2,0,0]=4 15720 B13R1.1630 CCNCc1cc(c(cc1Cl)F)F 2230a_100011830481_100000210202 [0,2,0,0,0,0|2,0,0]=4 15721 B13R1.1630 CCNCc1cc(c(cc1Cl)F)F 2230a_100015525214_100011830393 [0,2,0,0,0,0|2,0,0]=4 15722 B13R1.1630 CCNCc1cc(c(cc1Cl)F)F 270004a_100015525214_100011998482 [0,2,0,0,0,0|2,0,0]=4 15723 B13R1.1630 CCNCc1cc(c(cc1Cl)F)F 34a_100011830481_100000210202 [0,2,0,0,0,0|2,0,0]=4 15724 B13R1.1630 CCOCc1cc(c(cc1Cl)Br)F 34a_100010883925_100000210202 [0,2,0,0,0,0|2,0,0]=4 15725 B13R1.1630 CCOCc1cc(c(cc1Cl)Br)F 7a_100010883925_100000210202 [0,2,0,0,0,0|2,0,0]=4 15726 B13R1.1630 CCOCc1cc(c(cc1Cl)Cl)Cl 34a_100121572206_100010220947 [0,2,0,0,0,0|2,0,0]=4 15727 B13R1.1630 CCOCc1cc(c(cc1Cl)Cl)F 34a_100000043066_100000210202 [0,2,0,0,0,0|2,0,0]=4 15728 B13R1.1630 CCOCc1cc(c(cc1Cl)Cl)F 34a_100121572206_100009813697 [0,2,0,0,0,0|2,0,0]=4 15729 B13R1.1630 CCOCc1cc(c(cc1Cl)Cl)F 7a_100000043066_100000210202 [0,2,0,0,0,0|2,0,0]=4 15730 B13R1.1630 CCOCc1cc(c(cc1Cl)F)Br 34a_200021122263_100000210202 [0,2,0,0,0,0|2,0,0]=4 15731 B13R1.1630 CCOCc1cc(c(cc1Cl)F)Br 7a_200021122263_100000210202 [0,2,0,0,0,0|2,0,0]=4 15732 B13R1.1630 CCOCc1cc(c(cc1Cl)F)F 34a_100011996549_100000210202 [0,2,0,0,0,0|2,0,0]=4 15733 B13R1.1630 CCOCc1cc(c(cc1Cl)F)F 34a_100121572206_100011830393 [0,2,0,0,0,0|2,0,0]=4 15734 B13R1.1630 CCOCc1cc(c(cc1Cl)F)F 7a_100011996549_100000210202 [0,2,0,0,0,0|2,0,0]=4 15735 B13R1.1630 CCSCc1cc(c(cc1Cl)Cl)Cl 62a_100000210202_100010220947 [0,2,0,0,0,0|2,0,0]=4 15736 B13R1.1630 CCSCc1cc(c(cc1Cl)Cl)Cl 62a_100010220947_100000210202 [0,2,0,0,0,0|2,0,0]=4 15737 B13R1.1630 CCSCc1cc(c(cc1Cl)Cl)F 62a_100000210202_100009813697 [0,2,0,0,0,0|2,0,0]=4 15738 B13R1.1630 CCSCc1cc(c(cc1Cl)Cl)F 62a_100009813697_100000210202 [0,2,0,0,0,0|2,0,0]=4 15739 B13R1.1630 CCSCc1cc(c(cc1Cl)F)F 62a_100000210202_100011830393 [0,2,0,0,0,0|2,0,0]=4 15740 B13R1.1630 CCSCc1cc(c(cc1Cl)F)F 62a_100011830393_100000210202 [0,2,0,0,0,0|2,0,0]=4 15741 B13R1.1630 COCCc1cc(c(cc1F)F)F 34a_100011830277_200000210301 [0,2,0,0,0,0|1,1,0]=4 15742 B13R1.1630 COCCc1cc(c(cc1F)F)F 7a_100011830277_200000210301 [0,2,0,0,0,0|1,1,0]=4 15743 B13R1.1630 COCSc1cc(c(cc1Cl)Br)C 62a_100000766300_100010259621 [0,2,0,0,0,0|2,0,0]=4 15744 B13R1.1630 COCSc1cc(c(cc1Cl)Br)C 62a_100010259621_100000766300 [0,2,0,0,0,0|2,0,0]=4 15745 B13R1.1630 COCSc1cc(c(cc1Cl)Br)Cl 62a_100000766300_200010244590 [0,2,0,0,0,0|2,0,0]=4 15746 B13R1.1630 COCSc1cc(c(cc1Cl)Br)Cl 62a_200010244590_100000766300 [0,2,0,0,0,0|2,0,0]=4 15747 B13R1.1630 COCSc1cc(c(cc1Cl)Br)F 62a_100000766300_100010212230 [0,2,0,0,0,0|2,0,0]=4 15748 B13R1.1630 COCSc1cc(c(cc1Cl)Br)F 62a_100010212230_100000766300 [0,2,0,0,0,0|2,0,0]=4 15749 B13R1.1630 COCSc1cc(c(cc1Cl)Cl)Cl 62a_100000766300_200011216203 [0,2,0,0,0,0|2,0,0]=4 15750 B13R1.1630 COCSc1cc(c(cc1Cl)Cl)Cl 62a_200011216203_100000766300 [0,2,0,0,0,0|2,0,0]=4 15751 B13R1.1630 COCSc1cc(c(cc1Cl)Cl)N 62a_100000766300_100016224655 [0,2,0,0,0,0|2,0,0]=4 15752 B13R1.1630 COCSc1cc(c(cc1Cl)Cl)N 62a_100016224655_100000766300 [0,2,0,0,0,0|2,0,0]=4 15753 B13R1.1630 COCSc1cc(c(cc1Cl)F)F 62a_100000766300_100012349977 [0,2,0,0,0,0|2,0,0]=4 15754 B13R1.1630 COCSc1cc(c(cc1Cl)F)F 62a_100012349977_100000766300 [0,2,0,0,0,0|2,0,0]=4 15755 B13R1.1630 COCSc1cc(c(cc1Cl)O)N 62a_100000766300_100011011175 [0,2,0,0,0,0|2,0,0]=4 15756 B13R1.1630 COCSc1cc(c(cc1Cl)O)N 62a_100011011175_100000766300 [0,2,0,0,0,0|2,0,0]=4 15757 B13R1.1630 CSCNc1cc(c(cc1Cl)Br)Cl 34a_100000246133_100011218213 [0,2,0,0,0,0|2,0,0]=4 15758 B13R1.1630 CSCNc1cc(c(cc1Cl)Br)F 34a_100000688864_100011218213 [0,2,0,0,0,0|2,0,0]=4 15759 B13R1.1630 CSCNc1cc(c(cc1Cl)C)C 34a_100012183282_100011218213 [0,2,0,0,0,0|2,0,0]=4 15760 B13R1.1630 CSCNc1cc(c(cc1Cl)C)O 34a_100000092876_100011218213 [0,2,0,0,0,0|2,0,0]=4 15761 B13R1.1630 CSCNc1cc(c(cc1Cl)Cl)Br 34a_200012360370_100011218213 [0,2,0,0,0,0|2,0,0]=4 15762 B13R1.1630 CSCNc1cc(c(cc1Cl)Cl)C 34a_100012000392_100011218213 [0,2,0,0,0,0|2,0,0]=4 15763 B13R1.1630 CSCNc1cc(c(cc1Cl)Cl)Cl 34a_100000211015_100011218213 [0,2,0,0,0,0|2,0,0]=4 15764 B13R1.1630 CSCNc1cc(c(cc1Cl)Cl)F 34a_100012017157_100011218213 [0,2,0,0,0,0|2,0,0]=4 15765 B13R1.1630 CSCNc1cc(c(cc1Cl)Cl)O 34a_100000037174_100011218213 [0,2,0,0,0,0|2,0,0]=4 15766 B13R1.1630 CSCNc1cc(c(cc1Cl)F)Br 34a_100000685351_100011218213 [0,2,0,0,0,0|2,0,0]=4 15767 B13R1.1630 CSCNc1cc(c(cc1Cl)F)C 34a_100000729549_100011218213 [0,2,0,0,0,0|2,0,0]=4 15768 B13R1.1630 CSCNc1cc(c(cc1Cl)F)Cl 34a_100000085081_100011218213 [0,2,0,0,0,0|2,0,0]=4 15769 B13R1.1630 CSCNc1cc(c(cc1Cl)F)F 34a_100000766337_100011218213 [0,2,0,0,0,0|2,0,0]=4 15770 B13R1.1630 CSCNc1cc(c(cc1Cl)O)Cl 34a_100012000071_100011218213 [0,2,0,0,0,0|2,0,0]=4 15771 B13R1.1630 CSCNc1cc(c(cc1Cl)O)F 34a_100009886023_100011218213 [0,2,0,0,0,0|2,0,0]=4 15772 B13R1.1630 CSCOc1cc(c(cc1Cl)Br)C 34a_200012350488_100011218213 [0,2,0,0,0,0|2,0,0]=4 15773 B13R1.1630 CSCOc1cc(c(cc1Cl)Br)Cl 34a_100000719705_100011218213 [0,2,0,0,0,0|2,0,0]=4 15774 B13R1.1630 CSCOc1cc(c(cc1Cl)Br)F 34a_100000726166_100011218213 [0,2,0,0,0,0|2,0,0]=4 15775 B13R1.1630 CSCOc1cc(c(cc1Cl)Br)I 34a_100021297947_100011218213 [0,2,0,0,0,0|2,0,0]=4 15776 B13R1.1630 CSCOc1cc(c(cc1Cl)C)C 34a_100000031796_100011218213 [0,2,0,0,0,0|2,0,0]=4 15777 B13R1.1630 CSCOc1cc(c(cc1Cl)C)N 34a_100009961766_100011218213 [0,2,0,0,0,0|2,0,0]=4 15778 B13R1.1630 CSCOc1cc(c(cc1Cl)Cl)Br 34a_100010203734_100011218213 [0,2,0,0,0,0|2,0,0]=4 15779 B13R1.1630 CSCOc1cc(c(cc1Cl)Cl)C 34a_100012002691_100011218213 [0,2,0,0,0,0|2,0,0]=4 15780 B13R1.1630 CSCOc1cc(c(cc1Cl)Cl)Cl 34a_100000211312_100011218213 [0,2,0,0,0,0|2,0,0]=4 15781 B13R1.1630 CSCOc1cc(c(cc1Cl)Cl)N 34a_100000037174_100011218213 [0,2,0,0,0,0|2,0,0]=4 15782 B13R1.1630 CSCOc1cc(c(cc1Cl)F)Br 34a_100010189047_100011218213 [0,2,0,0,0,0|2,0,0]=4 15783 B13R1.1630 CSCOc1cc(c(cc1Cl)F)F 34a_100009848785_100011218213 [0,2,0,0,0,0|2,0,0]=4 15784 B13R1.1630 CSCOc1cc(c(cc1Cl)F)I 34a_100010735246_100011218213 [0,2,0,0,0,0|2,0,0]=4 15785 B13R1.1630 CSCOc1cc(c(cc1Cl)F)N 34a_100000042052_100011218213 [0,2,0,0,0,0|2,0,0]=4 15786 B13R1.1630 CSCOc1cc(c(cc1Cl)N)Cl 34a_100012000071_100011218213 [0,2,0,0,0,0|2,0,0]=4 15787 B13R1.1630 CSCSc1cc(c(cc1Cl)Br)C 62a_100010259621_100011218213 [0,2,0,0,0,0|2,0,0]=4 15788 B13R1.1630 CSCSc1cc(c(cc1Cl)Br)C 62a_100011218213_100010259621 [0,2,0,0,0,0|2,0,0]=4 15789 B13R1.1630 CSCSc1cc(c(cc1Cl)Br)Cl 62a_100011218213_200010244590 [0,2,0,0,0,0|2,0,0]=4 15790 B13R1.1630 CSCSc1cc(c(cc1Cl)Br)Cl 62a_200010244590_100011218213 [0,2,0,0,0,0|2,0,0]=4 15791 B13R1.1630 CSCSc1cc(c(cc1Cl)Br)F 62a_100010212230_100011218213 [0,2,0,0,0,0|2,0,0]=4 15792 B13R1.1630 CSCSc1cc(c(cc1Cl)Br)F 62a_100011218213_100010212230 [0,2,0,0,0,0|2,0,0]=4 15793 B13R1.1630 CSCSc1cc(c(cc1Cl)Cl)Cl 62a_100011218213_200011216203 [0,2,0,0,0,0|2,0,0]=4 15794 B13R1.1630 CSCSc1cc(c(cc1Cl)Cl)Cl 62a_200011216203_100011218213 [0,2,0,0,0,0|2,0,0]=4 15795 B13R1.1630 CSCSc1cc(c(cc1Cl)Cl)N 62a_100011218213_100016224655 [0,2,0,0,0,0|2,0,0]=4 15796 B13R1.1630 CSCSc1cc(c(cc1Cl)Cl)N 62a_100016224655_100011218213 [0,2,0,0,0,0|2,0,0]=4 15797 B13R1.1630 CSCSc1cc(c(cc1Cl)F)F 62a_100011218213_100012349977 [0,2,0,0,0,0|2,0,0]=4 15798 B13R1.1630 CSCSc1cc(c(cc1Cl)F)F 62a_100012349977_100011218213 [0,2,0,0,0,0|2,0,0]=4 15799 B13R1.1630 CSCSc1cc(c(cc1Cl)O)N 62a_100011011175_100011218213 [0,2,0,0,0,0|2,0,0]=4 15800 B13R1.1630 CSCSc1cc(c(cc1Cl)O)N 62a_100011218213_100011011175 [0,2,0,0,0,0|2,0,0]=4 15801 B13R1.1630 [13CH3]OCCc1cc(c(cc1F)F)F 34a_100011830277_200025704644 [0,2,0,0,0,0|1,1,0]=4 15802 B13R1.1630 [13CH3]OCCc1cc(c(cc1F)F)F 7a_100011830277_200025704644 [0,2,0,0,0,0|1,1,0]=4 15803 B13R1.2679 CCC(=O)Cc1ccc(cc1Cl)Br 1458a_100000210414_100011740631 [0,2,0,0,0,0|1,0,1]=4 15804 B13R1.2679 CCC(=O)Cc1ccc(cc1Cl)Br 1458a_100012361378_100000210202 [0,2,0,0,0,0|1,0,1]=4 15805 B13R1.2679 CCC(=O)Cc1ccc(cc1Cl)C 1458a_100000210414_100012349684 [0,2,0,0,0,0|1,0,1]=4 15806 B13R1.2679 CCC(=O)Cc1ccc(cc1Cl)Cl 1458a_100000210414_100000188473 [0,2,0,0,0,0|1,0,1]=4 15807 B13R1.2679 CCC(=O)Cc1ccc(cc1Cl)Cl 1458a_100000210926_100000210202 [0,2,0,0,0,0|1,0,1]=4 15808 B13R1.2679 CCC(=O)Cc1ccc(cc1Cl)F 1458a_100000210414_100011216360 [0,2,0,0,0,0|1,0,1]=4 15809 B13R1.2679 CCC(=O)Cc1ccc(cc1Cl)F 1458a_100000690284_100000210202 [0,2,0,0,0,0|1,0,1]=4 15810 B13R1.2679 CCC(C)Nc1ccc(cc1Cl)Br 34a_100000211467_100011215416 [0,2,0,0,0,0|2,0,0]=4 15811 B13R1.2679 CCC(C)Nc1ccc(cc1Cl)C 34a_100000210522_100011215416 [0,2,0,0,0,0|2,0,0]=4 15812 B13R1.2679 CCC(C)Nc1ccc(cc1Cl)Cl 34a_100000185861_100011215416 [0,2,0,0,0,0|2,0,0]=4 15813 B13R1.2679 CCC(C)Nc1ccc(cc1Cl)F 34a_100000212003_100011215416 [0,2,0,0,0,0|2,0,0]=4 15814 B13R1.2679 CCC(C)Nc1ccc(cc1Cl)I 34a_100011218065_100011215416 [0,2,0,0,0,0|2,0,0]=4 15815 B13R1.2679 CCC(C)Nc1ccc(cc1Cl)O 34a_100011215599_100011215416 [0,2,0,0,0,0|2,0,0]=4 15816 B13R1.2679 CCC(C)Oc1ccc(cc1Cl)Br 34a_100000186472_100011215416 [0,2,0,0,0,0|2,0,0]=4 15817 B13R1.2679 CCC(C)Oc1ccc(cc1Cl)Br 7a_100000186472_100000758301 [0,2,0,0,0,0|2,0,0]=4 15818 B13R1.2679 CCC(C)Oc1ccc(cc1Cl)C 34a_100000749699_100011215416 [0,2,0,0,0,0|2,0,0]=4 15819 B13R1.2679 CCC(C)Oc1ccc(cc1Cl)C 7a_100000749699_100000758301 [0,2,0,0,0,0|2,0,0]=4 15820 B13R1.2679 CCC(C)Oc1ccc(cc1Cl)Cl 34a_100015191787_100011215416 [0,2,0,0,0,0|2,0,0]=4 15821 B13R1.2679 CCC(C)Oc1ccc(cc1Cl)Cl 7a_100015191787_100000758301 [0,2,0,0,0,0|2,0,0]=4 15822 B13R1.2679 CCC(C)Oc1ccc(cc1Cl)F 34a_100000212004_100011215416 [0,2,0,0,0,0|2,0,0]=4 15823 B13R1.2679 CCC(C)Oc1ccc(cc1Cl)F 7a_100000212004_100000758301 [0,2,0,0,0,0|2,0,0]=4 15824 B13R1.2679 CCC(C)Oc1ccc(cc1Cl)I 34a_100012360047_100011215416 [0,2,0,0,0,0|2,0,0]=4 15825 B13R1.2679 CCC(C)Oc1ccc(cc1Cl)I 7a_100012360047_100000758301 [0,2,0,0,0,0|2,0,0]=4 15826 B13R1.2679 CCC(C)Oc1ccc(cc1Cl)N 34a_100000744943_100011215416 [0,2,0,0,0,0|2,0,0]=4 15827 B13R1.2679 CCC(C)Oc1ccc(cc1Cl)N 7a_100000744943_100000758301 [0,2,0,0,0,0|2,0,0]=4 15828 B13R1.2679 CCC(C)Sc1ccc(cc1Cl)Br 62a_100000758301_100011216062 [0,2,0,0,0,0|2,0,0]=4 15829 B13R1.2679 CCC(C)Sc1ccc(cc1Cl)Br 62a_100011216062_100000758301 [0,2,0,0,0,0|2,0,0]=4 15830 B13R1.2679 CCC(C)Sc1ccc(cc1Cl)C 62a_100000758301_100011263221 [0,2,0,0,0,0|2,0,0]=4 15831 B13R1.2679 CCC(C)Sc1ccc(cc1Cl)C 62a_100011263221_100000758301 [0,2,0,0,0,0|2,0,0]=4 15832 B13R1.2679 CCC(C)Sc1ccc(cc1Cl)Cl 62a_100000699841_100000758301 [0,2,0,0,0,0|2,0,0]=4 15833 B13R1.2679 CCC(C)Sc1ccc(cc1Cl)Cl 62a_100000758301_100000699841 [0,2,0,0,0,0|2,0,0]=4 15834 B13R1.2679 CCC(C)Sc1ccc(cc1Cl)F 62a_100000733362_100000758301 [0,2,0,0,0,0|2,0,0]=4 15835 B13R1.2679 CCC(C)Sc1ccc(cc1Cl)F 62a_100000758301_100000733362 [0,2,0,0,0,0|2,0,0]=4 15836 B13R1.2679 CCC(C)Sc1ccc(cc1Cl)N 62a_100000758301_100000761885 [0,2,0,0,0,0|2,0,0]=4 15837 B13R1.2679 CCC(C)Sc1ccc(cc1Cl)N 62a_100000761885_100000758301 [0,2,0,0,0,0|2,0,0]=4 15838 B13R1.2679 CCC(C)Sc1ccc(cc1Cl)O 62a_100000047559_100000758301 [0,2,0,0,0,0|2,0,0]=4 15839 B13R1.2679 CCC(C)Sc1ccc(cc1Cl)O 62a_100000758301_100000047559 [0,2,0,0,0,0|2,0,0]=4 15840 B13R1.2679 CCN(C)Cc1ccc(cc1Cl)Br 2230a_100000225621_100011740631 [0,2,0,0,0,0|2,0,0]=4 15841 B13R1.2679 CCN(C)Cc1ccc(cc1Cl)Br 269982a_100000225621_100011740631 [0,2,0,0,0,0|2,0,0]=4 15842 B13R1.2679 CCN(C)Cc1ccc(cc1Cl)Br 26a_100000225621_100000186472 [0,2,0,0,0,0|2,0,0]=4 15843 B13R1.2679 CCN(C)Cc1ccc(cc1Cl)C 2230a_100000225621_100012349684 [0,2,0,0,0,0|2,0,0]=4 15844 B13R1.2679 CCN(C)Cc1ccc(cc1Cl)C 269982a_100000225621_100012349684 [0,2,0,0,0,0|2,0,0]=4 15845 B13R1.2679 CCN(C)Cc1ccc(cc1Cl)C 26a_100000225621_100000749699 [0,2,0,0,0,0|2,0,0]=4 15846 B13R1.2679 CCN(C)Cc1ccc(cc1Cl)Cl 2230a_100000186925_200000210301 [0,2,0,0,0,0|2,0,0]=4 15847 B13R1.2679 CCN(C)Cc1ccc(cc1Cl)Cl 2230a_100000225621_100000188473 [0,2,0,0,0,0|2,0,0]=4 15848 B13R1.2679 CCN(C)Cc1ccc(cc1Cl)Cl 2230a_100015189987_100000210202 [0,2,0,0,0,0|2,0,0]=4 15849 B13R1.2679 CCN(C)Cc1ccc(cc1Cl)Cl 269982a_100000186925_200000210301 [0,2,0,0,0,0|2,0,0]=4 15850 B13R1.2679 CCN(C)Cc1ccc(cc1Cl)Cl 269982a_100000225621_100000188473 [0,2,0,0,0,0|2,0,0]=4 15851 B13R1.2679 CCN(C)Cc1ccc(cc1Cl)Cl 269982a_100015189987_100000204670 [0,2,0,0,0,0|2,0,0]=4 15852 B13R1.2679 CCN(C)Cc1ccc(cc1Cl)Cl 26a_100000225621_100015191787 [0,2,0,0,0,0|2,0,0]=4 15853 B13R1.2679 CCN(C)Cc1ccc(cc1Cl)Cl 34a_100000186925_200000210301 [0,2,0,0,0,0|2,0,0]=4 15854 B13R1.2679 CCN(C)Cc1ccc(cc1Cl)Cl 34a_100015189987_100000210202 [0,2,0,0,0,0|2,0,0]=4 15855 B13R1.2679 CCN(C)Cc1ccc(cc1Cl)F 2230a_100000225621_100011216360 [0,2,0,0,0,0|2,0,0]=4 15856 B13R1.2679 CCN(C)Cc1ccc(cc1Cl)F 269982a_100000225621_100011216360 [0,2,0,0,0,0|2,0,0]=4 15857 B13R1.2679 CCN(C)Cc1ccc(cc1Cl)F 26a_100000225621_100000212004 [0,2,0,0,0,0|2,0,0]=4 15858 B13R1.2679 CCN([13CH3])Cc1ccc(cc1Cl)Cl 2230a_100000186925_200025704644 [0,2,0,0,0,0|2,0,0]=4 15859 B13R1.2679 CCN([13CH3])Cc1ccc(cc1Cl)Cl 269982a_100000186925_200025704644 [0,2,0,0,0,0|2,0,0]=4 15860 B13R1.2679 CCN([13CH3])Cc1ccc(cc1Cl)Cl 34a_100000186925_200025704644 [0,2,0,0,0,0|2,0,0]=4 15861 B13R1.2679 CNC(=O)Cc1ccc(cc1Br)Br 11a_106832991635_100010172832 [0,2,0,0,0,0|0,1,1]=4 15862 B13R1.2679 CNC(=O)Cc1ccc(cc1Br)Br 240690a_100102657272_100010172832 [0,2,0,0,0,0|0,1,1]=4 15863 B13R1.2679 CNC(=O)Cc1ccc(cc1Br)Br 527a_100102657272_100010172832 [0,2,0,0,0,0|0,1,1]=4 15864 B13R1.2679 CNC(=O)Cc1ccc(cc1Br)Cl 11a_106832991635_100000755479 [0,2,0,0,0,0|0,1,1]=4 15865 B13R1.2679 CNC(=O)Cc1ccc(cc1Br)Cl 1626a_100102657272_100000755479 [0,2,0,0,0,0|0,1,1]=4 15866 B13R1.2679 CNC(=O)Cc1ccc(cc1Br)Cl 240690a_100102657272_100000755479 [0,2,0,0,0,0|0,1,1]=4 15867 B13R1.2679 CNC(=O)Cc1ccc(cc1Br)Cl 527a_100102657272_100000755479 [0,2,0,0,0,0|0,1,1]=4 15868 B13R1.2679 CNC(=O)Cc1ccc(cc1Br)F 11a_106832991635_100000708238 [0,2,0,0,0,0|0,1,1]=4 15869 B13R1.2679 CNC(=O)Cc1ccc(cc1Br)F 1626a_100102657272_100000708238 [0,2,0,0,0,0|0,1,1]=4 15870 B13R1.2679 CNC(=O)Cc1ccc(cc1Br)F 240690a_100102657272_100000708238 [0,2,0,0,0,0|0,1,1]=4 15871 B13R1.2679 CNC(=O)Cc1ccc(cc1Br)F 527a_100102657272_100000708238 [0,2,0,0,0,0|0,1,1]=4 15872 B13R1.2679 CNC(=O)Cc1ccc(cc1Br)O 240690a_100102657272_100010176083 [0,2,0,0,0,0|0,1,1]=4 15873 B13R1.2679 CNC(=O)Cc1ccc(cc1Br)O 527a_100102657272_100010176083 [0,2,0,0,0,0|0,1,1]=4 15874 B13R1.2679 CNC(=O)Cc1ccc(cc1C)Br 11a_106832991635_100000697930 [0,2,0,0,0,0|1,0,1]=4 15875 B13R1.2679 CNC(=O)Cc1ccc(cc1C)Br 1626a_100102657272_100000697930 [0,2,0,0,0,0|1,0,1]=4 15876 B13R1.2679 CNC(=O)Cc1ccc(cc1C)Br 240690a_100102657272_100000697930 [0,2,0,0,0,0|1,0,1]=4 15877 B13R1.2679 CNC(=O)Cc1ccc(cc1C)Br 527a_100102657272_100000697930 [0,2,0,0,0,0|1,0,1]=4 15878 B13R1.2679 CNC(=O)Cc1ccc(cc1C)C 11a_106832991635_100011236500 [0,2,0,0,0,0|1,0,1]=4 15879 B13R1.2679 CNC(=O)Cc1ccc(cc1C)C 1626a_100102657272_100011236500 [0,2,0,0,0,0|1,0,1]=4 15880 B13R1.2679 CNC(=O)Cc1ccc(cc1C)C 240690a_100102657272_100011236500 [0,2,0,0,0,0|1,0,1]=4 15881 B13R1.2679 CNC(=O)Cc1ccc(cc1C)C 527a_100102657272_100011236500 [0,2,0,0,0,0|1,0,1]=4 15882 B13R1.2679 CNC(=O)Cc1ccc(cc1C)F 11a_106832991635_100011667441 [0,2,0,0,0,0|1,0,1]=4 15883 B13R1.2679 CNC(=O)Cc1ccc(cc1C)F 1626a_100102657272_100011667441 [0,2,0,0,0,0|1,0,1]=4 15884 B13R1.2679 CNC(=O)Cc1ccc(cc1C)F 240690a_100102657272_100011667441 [0,2,0,0,0,0|1,0,1]=4 15885 B13R1.2679 CNC(=O)Cc1ccc(cc1C)F 527a_100102657272_100011667441 [0,2,0,0,0,0|1,0,1]=4 15886 B13R1.2679 CNC(=O)Cc1ccc(cc1Cl)Br 11a_106832991635_100012361378 [0,2,0,0,0,0|0,0,1]=3 15887 B13R1.2679 CNC(=O)Cc1ccc(cc1Cl)Br 1626a_100102657272_100012361378 [0,2,0,0,0,0|0,0,1]=3 15888 B13R1.2679 CNC(=O)Cc1ccc(cc1Cl)Br 240690a_100102657272_100012361378 [0,2,0,0,0,0|0,0,1]=3 15889 B13R1.2679 CNC(=O)Cc1ccc(cc1Cl)Br 527a_100102657272_100012361378 [0,2,0,0,0,0|0,0,1]=3 15890 B13R1.2679 CNC(=O)Cc1ccc(cc1Cl)Cl 11a_106832991635_100000210926 [0,2,0,0,0,0|0,0,1]=3 15891 B13R1.2679 CNC(=O)Cc1ccc(cc1Cl)Cl 1626a_100102657272_100000210926 [0,2,0,0,0,0|0,0,1]=3 15892 B13R1.2679 CNC(=O)Cc1ccc(cc1Cl)Cl 240690a_100102657272_100000210926 [0,2,0,0,0,0|0,0,1]=3 15893 B13R1.2679 CNC(=O)Cc1ccc(cc1Cl)Cl 527a_100102657272_100000210926 [0,2,0,0,0,0|0,0,1]=3 15894 B13R1.2679 CNC(=O)Cc1ccc(cc1Cl)F 11a_106832991635_100000690284 [0,2,0,0,0,0|0,0,1]=3 15895 B13R1.2679 CNC(=O)Cc1ccc(cc1Cl)F 1626a_100102657272_100000690284 [0,2,0,0,0,0|0,0,1]=3 15896 B13R1.2679 CNC(=O)Cc1ccc(cc1Cl)F 240690a_100102657272_100000690284 [0,2,0,0,0,0|0,0,1]=3 15897 B13R1.2679 CNC(=O)Cc1ccc(cc1Cl)F 527a_100102657272_100000690284 [0,2,0,0,0,0|0,0,1]=3 15898 B13R1.2679 CNC(=O)Cc1ccc(cc1F)Br 11a_106832991635_100011295475 [0,2,0,0,0,0|0,1,1]=4 15899 B13R1.2679 CNC(=O)Cc1ccc(cc1F)Br 1626a_100102657272_100011295475 [0,2,0,0,0,0|0,1,1]=4 15900 B13R1.2679 CNC(=O)Cc1ccc(cc1F)Br 240690a_100102657272_100011295475 [0,2,0,0,0,0|0,1,1]=4 15901 B13R1.2679 CNC(=O)Cc1ccc(cc1F)Br 527a_100102657272_100011295475 [0,2,0,0,0,0|0,1,1]=4 15902 B13R1.2679 CNC(=O)Cc1ccc(cc1F)C 11a_106832991635_100000042674 [0,2,0,0,0,0|0,1,1]=4 15903 B13R1.2679 CNC(=O)Cc1ccc(cc1F)C 1626a_100102657272_100000042674 [0,2,0,0,0,0|0,1,1]=4 15904 B13R1.2679 CNC(=O)Cc1ccc(cc1F)C 240690a_100102657272_100000042674 [0,2,0,0,0,0|0,1,1]=4 15905 B13R1.2679 CNC(=O)Cc1ccc(cc1F)C 527a_100102657272_100000042674 [0,2,0,0,0,0|0,1,1]=4 15906 B13R1.2679 CNC(=O)Cc1ccc(cc1F)Cl 11a_106832991635_100011830378 [0,2,0,0,0,0|0,1,1]=4 15907 B13R1.2679 CNC(=O)Cc1ccc(cc1F)Cl 1626a_100102657272_100011830378 [0,2,0,0,0,0|0,1,1]=4 15908 B13R1.2679 CNC(=O)Cc1ccc(cc1F)Cl 240690a_100102657272_100011830378 [0,2,0,0,0,0|0,1,1]=4 15909 B13R1.2679 CNC(=O)Cc1ccc(cc1F)Cl 527a_100102657272_100011830378 [0,2,0,0,0,0|0,1,1]=4 15910 B13R1.2679 CNC(=O)Cc1ccc(cc1F)F 11a_106832991635_100000684719 [0,2,0,0,0,0|0,1,1]=4 15911 B13R1.2679 CNC(=O)Cc1ccc(cc1F)F 1626a_100102657272_100000684719 [0,2,0,0,0,0|0,1,1]=4 15912 B13R1.2679 CNC(=O)Cc1ccc(cc1F)F 240690a_100102657272_100000684719 [0,2,0,0,0,0|0,1,1]=4 15913 B13R1.2679 CNC(=O)Cc1ccc(cc1F)F 527a_100102657272_100000684719 [0,2,0,0,0,0|0,1,1]=4 15914 B13R1.2679 CNC(=O)Cc1ccc(cc1F)I 11a_106832991635_100010149628 [0,2,0,0,0,0|0,1,1]=4 15915 B13R1.2679 CNC(=O)Cc1ccc(cc1F)I 1626a_100102657272_100010149628 [0,2,0,0,0,0|0,1,1]=4 15916 B13R1.2679 CNC(=O)Cc1ccc(cc1F)I 240690a_100102657272_100010149628 [0,2,0,0,0,0|0,1,1]=4 15917 B13R1.2679 CNC(=O)Cc1ccc(cc1F)I 527a_100102657272_100010149628 [0,2,0,0,0,0|0,1,1]=4 15918 B13R1.2679 CNC(=O)Cc1ccc(cc1F)O 240690a_100102657272_100000090534 [0,2,0,0,0,0|0,1,1]=4 15919 B13R1.2679 CNC(=O)Cc1ccc(cc1F)O 527a_100102657272_100000090534 [0,2,0,0,0,0|0,1,1]=4 15920 B13R1.2679 CNC(=O)Cc1ccc(cc1O)Br 240690a_100102657272_100000707504 [0,2,0,0,0,0|1,0,1]=4 15921 B13R1.2679 CNC(=O)Cc1ccc(nc1Cl)Cl 11a_106832991635_200010067290 [0,2,0,0,0,0|1,0,1]=4 15922 B13R1.2679 CNC(=O)Cc1ccc(nc1Cl)Cl 1626a_100102657272_200010067290 [0,2,0,0,0,0|1,0,1]=4 15923 B13R1.2679 CNC(=O)Cc1ccc(nc1Cl)Cl 240690a_100102657272_200010067290 [0,2,0,0,0,0|1,0,1]=4 15924 B13R1.2679 CNC(=O)Cc1ccc(nc1Cl)Cl 527a_100102657272_200010067290 [0,2,0,0,0,0|1,0,1]=4 15925 B13R1.2679 CNC(=O)Nc1ccc(cc1Cl)Br 2430a_100000211467_100102657272 [0,2,0,0,0,0|1,0,1]=4 15926 B13R1.2679 CNC(=O)Nc1ccc(cc1Cl)C 2430a_100000210522_100102657272 [0,2,0,0,0,0|1,0,1]=4 15927 B13R1.2679 CNC(=O)Nc1ccc(cc1Cl)Cl 2430a_100000185861_100102657272 [0,2,0,0,0,0|1,0,1]=4 15928 B13R1.2679 CNC(=O)Nc1ccc(cc1Cl)F 2430a_100000212003_100102657272 [0,2,0,0,0,0|1,0,1]=4 15929 B13R1.2679 CNC(=O)Nc1ccc(cc1Cl)I 2430a_100011218065_100102657272 [0,2,0,0,0,0|1,0,1]=4 15930 B13R1.2679 CNC(=O)Nc1ccc(cc1Cl)O 2430a_100011215599_100102657272 [0,2,0,0,0,0|1,0,1]=4 15931 B13R1.2679 CNC(C)Cc1ccc(cc1Br)Cl 270004a_106832991635_200010078464 [0,2,0,0,0,0|0,1,0]=3 15932 B13R1.2679 CNC(C)Cc1ccc(cc1C)C 270004a_106832991635_200000075425 [0,2,0,0,0,0|1,0,0]=3 15933 B13R1.2679 CNC(C)Cc1ccc(cc1Cl)Cl 270004a_106832991635_200011350722 [0,2,0,0,0,0|0,0,0]=2 15934 B13R1.2679 CNC(C)Cc1ccc(cc1Cl)O 270004a_106832991635_200000084595 [0,2,0,0,0,0|0,0,0]=2 15935 B13R1.2679 CNC(C)Cc1ccc(cc1F)F 270004a_106832991635_100011622162 [0,2,0,0,0,0|0,1,0]=3 15936 B13R1.2679 COC(C)Sc1ccc(cc1Cl)Br 62a_100009879195_100011216062 [0,2,0,0,0,0|2,0,0]=4 15937 B13R1.2679 COC(C)Sc1ccc(cc1Cl)Br 62a_100011216062_100009879195 [0,2,0,0,0,0|2,0,0]=4 15938 B13R1.2679 COC(C)Sc1ccc(cc1Cl)C 62a_100009879195_100011263221 [0,2,0,0,0,0|2,0,0]=4 15939 B13R1.2679 COC(C)Sc1ccc(cc1Cl)C 62a_100011263221_100009879195 [0,2,0,0,0,0|2,0,0]=4 15940 B13R1.2679 COC(C)Sc1ccc(cc1Cl)Cl 62a_100000699841_100009879195 [0,2,0,0,0,0|2,0,0]=4 15941 B13R1.2679 COC(C)Sc1ccc(cc1Cl)Cl 62a_100009879195_100000699841 [0,2,0,0,0,0|2,0,0]=4 15942 B13R1.2679 COC(C)Sc1ccc(cc1Cl)F 62a_100000733362_100009879195 [0,2,0,0,0,0|2,0,0]=4 15943 B13R1.2679 COC(C)Sc1ccc(cc1Cl)F 62a_100009879195_100000733362 [0,2,0,0,0,0|2,0,0]=4 15944 B13R1.2679 COC(C)Sc1ccc(cc1Cl)N 62a_100000761885_100009879195 [0,2,0,0,0,0|2,0,0]=4 15945 B13R1.2679 COC(C)Sc1ccc(cc1Cl)N 62a_100009879195_100000761885 [0,2,0,0,0,0|2,0,0]=4 15946 B13R1.2679 COC(C)Sc1ccc(cc1Cl)O 62a_100000047559_100009879195 [0,2,0,0,0,0|2,0,0]=4 15947 B13R1.2679 COC(C)Sc1ccc(cc1Cl)O 62a_100009879195_100000047559 [0,2,0,0,0,0|2,0,0]=4 15948 B13R1.84 C#Cc1ccccc1CNCCC 34a_100020634229_100000210303 [0,2,0,0,0,0|2,0,0]=4 15949 B13R1.84 C#Cc1ccccc1CNCSC 34a_100020634229_100011218213 [0,2,0,0,0,0|2,0,0]=4 15950 B13R1.84 C#Cc1ccccc1COCCC 34a_100000054652_100000210303 [0,2,0,0,0,0|2,0,0]=4 15951 B13R1.84 C#Cc1ccccc1COCCC 7a_100000054652_100000210303 [0,2,0,0,0,0|2,0,0]=4 15952 B13R1.84 C#Cc1ccccc1COCSC 34a_100000054652_100011218213 [0,2,0,0,0,0|2,0,0]=4 15953 B13R1.84 C#Cc1ccccc1NCCCC 34a_100011470550_100000210210 [0,2,0,0,0,0|2,0,0]=4 15954 B13R1.84 C#Cc1ccccc1NCCOC 34a_100011470550_100011201679 [0,2,0,0,0,0|2,0,0]=4 15955 B13R1.84 C#Cc1ccccc1NCCSC 34a_100011470550_100000212216 [0,2,0,0,0,0|2,0,0]=4 15956 B13R1.84 C#Cc1ccccc1OCCCC 34a_200011470546_100000210210 [0,2,0,0,0,0|2,0,0]=4 15957 B13R1.84 C#Cc1ccccc1OCCCC 7a_200011470546_100000210211 [0,2,0,0,0,0|2,0,0]=4 15958 B13R1.84 C#Cc1ccccc1OCCOC 34a_200011470546_100011201679 [0,2,0,0,0,0|2,0,0]=4 15959 B13R1.84 C#Cc1ccccc1OCCOC 7a_200011470546_100000233755 [0,2,0,0,0,0|2,0,0]=4 15960 B13R1.84 C#Cc1ccccc1OCCSC 34a_200011470546_100000212216 [0,2,0,0,0,0|2,0,0]=4 15961 B13R1.84 C#Cc1ccccc1OCCSC 7a_200011470546_100000212216 [0,2,0,0,0,0|2,0,0]=4 15962 B13R1.84 C=Cc1ccccc1CCCCO 271570a_100011290941_100012092669 [0,2,0,0,0,0|2,0,0]=4 15963 B13R1.84 C=Cc1ccccc1CNCCC 271570a_100011290941_100000196483 [0,2,0,0,0,0|2,0,0]=4 15964 B13R1.84 C=Cc1ccccc1COCCC 34a_200010883148_100000210303 [0,2,0,0,0,0|2,0,0]=4 15965 B13R1.84 C=Cc1ccccc1COCCC 7a_200010883148_100000210303 [0,2,0,0,0,0|2,0,0]=4 15966 B13R1.84 C=Cc1ccccc1COCSC 34a_200010883148_100011218213 [0,2,0,0,0,0|2,0,0]=4 15967 B13R1.84 C=Cc1ccccc1CSCCC 271570a_100011290941_200000173363 [0,2,0,0,0,0|2,0,0]=4 15968 B13R1.84 C=Cc1ccccc1NCCCC 34a_100012022501_100000210210 [0,2,0,0,0,0|2,0,0]=4 15969 B13R1.84 C=Cc1ccccc1NCCOC 34a_100012022501_100011201679 [0,2,0,0,0,0|2,0,0]=4 15970 B13R1.84 C=Cc1ccccc1NCCSC 34a_100012022501_100000212216 [0,2,0,0,0,0|2,0,0]=4 15971 B13R1.84 C=Cc1ccccc1OCCCC 271570a_100011290941_100000230755 [0,2,0,0,0,0|2,0,0]=4 15972 B13R1.84 C=Cc1ccccc1OCCOC 271570a_100011290941_100000234100 [0,2,0,0,0,0|2,0,0]=4 15973 B13R1.84 C=Cc1ccccc1SCCCC 62a_100000210211_100011218376 [0,2,0,0,0,0|2,0,0]=4 15974 B13R1.84 C=Cc1ccccc1SCCCC 62a_100011218376_100000210210 [0,2,0,0,0,0|2,0,0]=4 15975 B13R1.84 C=Cc1ccccc1SCCOC 271570a_100011290941_200016336083 [0,2,0,0,0,0|2,0,0]=4 15976 B13R1.84 C=Cc1ccccc1SCCOC 62a_100000233755_100011218376 [0,2,0,0,0,0|2,0,0]=4 15977 B13R1.84 C=Cc1ccccc1SCCOC 62a_100011218376_100000233755 [0,2,0,0,0,0|2,0,0]=4 15978 B13R1.84 C=Cc1ccccc1SCCSC 62a_100000212216_100011218376 [0,2,0,0,0,0|2,0,0]=4 15979 B13R1.84 C=Cc1ccccc1SCCSC 62a_100011218376_100000751147 [0,2,0,0,0,0|2,0,0]=4 15980 B13R1.84 CCCCNc1ccccc1C#N 34a_100000211148_100000210210 [0,2,0,0,0,0|2,0,0]=4 15981 B13R1.84 CCCCNc1ccccc1CC 2230a_100000212081_100000210211 [0,2,0,0,0,0|2,0,0]=4 15982 B13R1.84 CCCCNc1ccccc1CC 34a_100000212081_100000210210 [0,2,0,0,0,0|2,0,0]=4 15983 B13R1.84 CCCCNc1ccccc1CC 7a_100000212081_100000210211 [0,2,0,0,0,0|2,0,0]=4 15984 B13R1.84 CCCCNc1ccccc1CO 34a_100000212039_100000210210 [0,2,0,0,0,0|2,0,0]=4 15985 B13R1.84 CCCCNc1ccccc1OC 34a_100000210025_100000210210 [0,2,0,0,0,0|2,0,0]=4 15986 B13R1.84 CCCCNc1ccccc1SC 34a_100000211160_100000210210 [0,2,0,0,0,0|2,0,0]=4 15987 B13R1.84 CCCCOc1ccccc1C#N 34a_100000211048_100000210210 [0,2,0,0,0,0|2,0,0]=4 15988 B13R1.84 CCCCOc1ccccc1C#N 7a_100000211048_100000210211 [0,2,0,0,0,0|2,0,0]=4 15989 B13R1.84 CCCCOc1ccccc1CC 34a_100000210936_100000210210 [0,2,0,0,0,0|2,0,0]=4 15990 B13R1.84 CCCCOc1ccccc1CC 7a_100000210936_100000210211 [0,2,0,0,0,0|2,0,0]=4 15991 B13R1.84 CCCCOc1ccccc1CN 34a_100000185550_100000210210 [0,2,0,0,0,0|2,0,0]=4 15992 B13R1.84 CCCCOc1ccccc1CO 34a_100011216872_100000210210 [0,2,0,0,0,0|2,0,0]=4 15993 B13R1.84 CCCCOc1ccccc1NC 2230a_100000743494_200000210301 [0,2,0,0,0,0|2,0,0]=4 15994 B13R1.84 CCCCOc1ccccc1NC 34a_100000033821_100000210210 [0,2,0,0,0,0|2,0,0]=4 15995 B13R1.84 CCCCOc1ccccc1NC 34a_100000743494_200000210301 [0,2,0,0,0,0|2,0,0]=4 15996 B13R1.84 CCCCOc1ccccc1N[13CH3] 2230a_100000743494_200025704644 [0,2,0,0,0,0|2,0,0]=4 15997 B13R1.84 CCCCOc1ccccc1N[13CH3] 34a_100000743494_200025704644 [0,2,0,0,0,0|2,0,0]=4 15998 B13R1.84 CCCCOc1ccccc1OC 34a_100000210385_100000210210 [0,2,0,0,0,0|2,0,0]=4 15999 B13R1.84 CCCCOc1ccccc1SC 34a_100011216402_100000210210 [0,2,0,0,0,0|2,0,0]=4 16000 B13R1.84 CCCCOc1ccccc1SC 62a_100000230755_200000210301 [0,2,0,0,0,0|2,0,0]=4 16001 B13R1.84 CCCCOc1ccccc1SC 62a_200000210301_100000230755 [0,2,0,0,0,0|2,0,0]=4 16002 B13R1.84 CCCCOc1ccccc1S[13CH3] 62a_100000230755_200025704644 [0,2,0,0,0,0|2,0,0]=4 16003 B13R1.84 CCCCOc1ccccc1S[13CH3] 62a_200025704644_100000230755 [0,2,0,0,0,0|2,0,0]=4 16004 B13R1.84 CCCCSc1ccccc1C#N 62a_100000210211_100000188569 [0,2,0,0,0,0|2,0,0]=4 16005 B13R1.84 CCCCSc1ccccc1C=O 62a_100000210073_100000210210 [0,2,0,0,0,0|2,0,0]=4 16006 B13R1.84 CCCCSc1ccccc1C=O 62a_100000210211_100000210073 [0,2,0,0,0,0|2,0,0]=4 16007 B13R1.84 CCCCSc1ccccc1CC 62a_100000210211_100011215823 [0,2,0,0,0,0|2,0,0]=4 16008 B13R1.84 CCCCSc1ccccc1CC 62a_100011215823_100000210210 [0,2,0,0,0,0|2,0,0]=4 16009 B13R1.84 CCCCSc1ccccc1CN 62a_100000210211_100000689332 [0,2,0,0,0,0|2,0,0]=4 16010 B13R1.84 CCCCSc1ccccc1CN 62a_100000689332_100000210210 [0,2,0,0,0,0|2,0,0]=4 16011 B13R1.84 CCCCSc1ccccc1CO 62a_100000187465_100000210210 [0,2,0,0,0,0|2,0,0]=4 16012 B13R1.84 CCCCSc1ccccc1CO 62a_100000210211_100000187465 [0,2,0,0,0,0|2,0,0]=4 16013 B13R1.84 CCCCSc1ccccc1NC 62a_100000210211_100020606079 [0,2,0,0,0,0|2,0,0]=4 16014 B13R1.84 CCCCSc1ccccc1NC 62a_100020606079_100000210210 [0,2,0,0,0,0|2,0,0]=4 16015 B13R1.84 CCCCSc1ccccc1NN 62a_100000210211_100000241748 [0,2,0,0,0,0|2,0,0]=4 16016 B13R1.84 CCCCSc1ccccc1NN 62a_100000241748_100000210210 [0,2,0,0,0,0|2,0,0]=4 16017 B13R1.84 CCCCSc1ccccc1OC 62a_100000210211_100000210334 [0,2,0,0,0,0|2,0,0]=4 16018 B13R1.84 CCCCSc1ccccc1OC 62a_100000210334_100000210210 [0,2,0,0,0,0|2,0,0]=4 16019 B13R1.84 CCCCSc1ccccc1SC 62a_100000210211_100011217816 [0,2,0,0,0,0|2,0,0]=4 16020 B13R1.84 CCCCSc1ccccc1SC 62a_100011217816_100000210210 [0,2,0,0,0,0|2,0,0]=4 16021 B13R1.84 CCCNCc1ccccc1C#N 34a_100016989011_100000210303 [0,2,0,0,0,0|2,0,0]=4 16022 B13R1.84 CCCNCc1ccccc1CC 207a_100020643023_100011219594 [0,2,0,0,0,0|2,0,0]=4 16023 B13R1.84 CCCNCc1ccccc1CC 270004a_100020643023_100011219594 [0,2,0,0,0,0|2,0,0]=4 16024 B13R1.84 CCCNCc1ccccc1OC 207a_100020643023_100000169842 [0,2,0,0,0,0|2,0,0]=4 16025 B13R1.84 CCCNCc1ccccc1OC 270004a_100020643023_100000169842 [0,2,0,0,0,0|2,0,0]=4 16026 B13R1.84 CCCNCc1ccccc1OC 34a_100000188900_100000210303 [0,2,0,0,0,0|2,0,0]=4 16027 B13R1.84 CCCNCc1ccccc1OC 34a_100000749093_200000210301 [0,2,0,0,0,0|2,0,0]=4 16028 B13R1.84 CCCNCc1ccccc1O[13CH3] 34a_100000749093_200025704644 [0,2,0,0,0,0|2,0,0]=4 16029 B13R1.84 CCCNCc1ccccc1SC 207a_100020643023_100011217347 [0,2,0,0,0,0|2,0,0]=4 16030 B13R1.84 CCCNCc1ccccc1SC 270004a_100020643023_100011217347 [0,2,0,0,0,0|2,0,0]=4 16031 B13R1.84 CCCNCc1ccccc1SC 34a_102495365025_100000210303 [0,2,0,0,0,0|2,0,0]=4 16032 B13R1.84 CCCNCc1ccccc1SC 62a_100000196483_200000210301 [0,2,0,0,0,0|2,0,0]=4 16033 B13R1.84 CCCNCc1ccccc1SC 62a_200000210301_100000196483 [0,2,0,0,0,0|2,0,0]=4 16034 B13R1.84 CCCNCc1ccccc1S[13CH3] 62a_100000196483_200025704644 [0,2,0,0,0,0|2,0,0]=4 16035 B13R1.84 CCCNCc1ccccc1S[13CH3] 62a_200025704644_100000196483 [0,2,0,0,0,0|2,0,0]=4 16036 B13R1.84 CCCOCc1ccccc1C#N 34a_100000210258_100000181865 [0,2,0,0,0,0|2,0,0]=4 16037 B13R1.84 CCCOCc1ccccc1C#N 34a_200011269968_100000210303 [0,2,0,0,0,0|2,0,0]=4 16038 B13R1.84 CCCOCc1ccccc1C#N 7a_200011269968_100000210303 [0,2,0,0,0,0|2,0,0]=4 16039 B13R1.84 CCCOCc1ccccc1C=O 34a_100000210258_200009853537 [0,2,0,0,0,0|2,0,0]=4 16040 B13R1.84 CCCOCc1ccccc1CBr 34a_100009816955_100000210303 [0,2,0,0,0,0|1,1,0]=4 16041 B13R1.84 CCCOCc1ccccc1CBr 7a_100009816955_100000210303 [0,2,0,0,0,0|1,1,0]=4 16042 B13R1.84 CCCOCc1ccccc1CC 34a_100011663872_100000210303 [0,2,0,0,0,0|2,0,0]=4 16043 B13R1.84 CCCOCc1ccccc1CC 7a_100011663872_100000210303 [0,2,0,0,0,0|2,0,0]=4 16044 B13R1.84 CCCOCc1ccccc1CN 34a_100000743596_100000210303 [0,2,0,0,0,0|2,0,0]=4 16045 B13R1.84 CCCOCc1ccccc1CO 34a_100000210258_100009816955 [0,2,0,0,0,0|2,0,0]=4 16046 B13R1.84 CCCOCc1ccccc1OC 34a_100000210258_100000210004 [0,2,0,0,0,0|2,0,0]=4 16047 B13R1.84 CCCOCc1ccccc1OC 34a_100000211301_100000210303 [0,2,0,0,0,0|2,0,0]=4 16048 B13R1.84 CCCOCc1ccccc1SC 34a_100000210258_100000699184 [0,2,0,0,0,0|2,0,0]=4 16049 B13R1.84 CCCOCc1ccccc1SC 34a_100000699167_100000210303 [0,2,0,0,0,0|2,0,0]=4 16050 B13R1.84 CCCSCc1ccccc1C#N 62a_100000186380_100000210303 [0,2,0,0,0,0|2,0,0]=4 16051 B13R1.84 CCCSCc1ccccc1C#N 62a_100000210303_100000181865 [0,2,0,0,0,0|2,0,0]=4 16052 B13R1.84 CCCSCc1ccccc1C=O 62a_100000210303_200009853537 [0,2,0,0,0,0|2,0,0]=4 16053 B13R1.84 CCCSCc1ccccc1C=O 62a_200009853537_100000210303 [0,2,0,0,0,0|2,0,0]=4 16054 B13R1.84 CCCSCc1ccccc1CO 62a_100000210303_100009816955 [0,2,0,0,0,0|2,0,0]=4 16055 B13R1.84 CCCSCc1ccccc1CO 62a_100009816955_100000210303 [0,2,0,0,0,0|2,0,0]=4 16056 B13R1.84 CCCSCc1ccccc1OC 62a_100000210004_100000210303 [0,2,0,0,0,0|2,0,0]=4 16057 B13R1.84 CCCSCc1ccccc1OC 62a_100000210303_100000210004 [0,2,0,0,0,0|2,0,0]=4 16058 B13R1.84 CCCSCc1ccccc1SC 62a_100000210303_100000699184 [0,2,0,0,0,0|2,0,0]=4 16059 B13R1.84 CCCSCc1ccccc1SC 62a_100000699184_100000210303 [0,2,0,0,0,0|2,0,0]=4 16060 B13R1.84 CCCSCc1ccccc1SC 62a_200000173363_200000210301 [0,2,0,0,0,0|2,0,0]=4 16061 B13R1.84 CCCSCc1ccccc1SC 62a_200000210301_200000173363 [0,2,0,0,0,0|2,0,0]=4 16062 B13R1.84 CCCSCc1ccccc1S[13CH3] 62a_200000173363_200025704644 [0,2,0,0,0,0|2,0,0]=4 16063 B13R1.84 CCCSCc1ccccc1S[13CH3] 62a_200025704644_200000173363 [0,2,0,0,0,0|2,0,0]=4 16064 B13R1.84 CCNCCc1ccccc1C#N 2230a_100015525214_200013032965 [0,2,0,0,0,0|1,0,0]=3 16065 B13R1.84 CCNCCc1ccccc1C=O 2230a_100015525214_100010186698 [0,2,0,0,0,0|1,0,0]=3 16066 B13R1.84 CCNCCc1ccccc1CC 2230a_100011663701_100000210202 [0,2,0,0,0,0|1,0,0]=3 16067 B13R1.84 CCNCCc1ccccc1CC 34a_100011663701_100000210202 [0,2,0,0,0,0|1,0,0]=3 16068 B13R1.84 CCNCCc1ccccc1OC 2230a_100000211851_100000210202 [0,2,0,0,0,0|1,0,0]=3 16069 B13R1.84 CCNCCc1ccccc1OC 2230a_100015525214_100011713687 [0,2,0,0,0,0|1,0,0]=3 16070 B13R1.84 CCNCCc1ccccc1OC 270004a_100015525214_100011713418 [0,2,0,0,0,0|1,0,0]=3 16071 B13R1.84 CCNCCc1ccccc1OC 34a_100000211851_100000210202 [0,2,0,0,0,0|1,0,0]=3 16072 B13R1.84 CCNCCc1ccccc1[Pd]Cl 2230a_106741704370_100000210202 [0,2,0,0,0,0|0,0,0]=2 16073 B13R1.84 CCNCCc1ccccc1[Pd]Cl 34a_106741704370_100000210202 [0,2,0,0,0,0|0,0,0]=2 16074 B13R1.84 CCNCCc1ccccc1[Pd]Cl 7a_106741704370_100000210202 [0,2,0,0,0,0|0,0,0]=2 16075 B13R1.84 CCOCCc1ccccc1C#N 34a_100121572206_200013032965 [0,2,0,0,0,0|2,0,0]=4 16076 B13R1.84 CCOCCc1ccccc1C=O 34a_100121572206_100010186698 [0,2,0,0,0,0|2,0,0]=4 16077 B13R1.84 CCOCCc1ccccc1OC 34a_100011218620_100000210202 [0,2,0,0,0,0|2,0,0]=4 16078 B13R1.84 CCOCCc1ccccc1OC 34a_100121572206_100011713687 [0,2,0,0,0,0|2,0,0]=4 16079 B13R1.84 CCOCCc1ccccc1OC 7a_100011218620_100000210202 [0,2,0,0,0,0|2,0,0]=4 16080 B13R1.84 CCSCCc1ccccc1C#N 62a_100000210202_200013032965 [0,2,0,0,0,0|2,0,0]=4 16081 B13R1.84 CCSCCc1ccccc1C=O 62a_100000210202_100010186698 [0,2,0,0,0,0|2,0,0]=4 16082 B13R1.84 CCSCCc1ccccc1C=O 62a_100010186698_100000210202 [0,2,0,0,0,0|2,0,0]=4 16083 B13R1.84 CCSCCc1ccccc1OC 62a_100000210202_100011713687 [0,2,0,0,0,0|2,0,0]=4 16084 B13R1.84 CCSCCc1ccccc1OC 62a_100011713687_100000210202 [0,2,0,0,0,0|2,0,0]=4 16085 B13R1.84 CCc1ccccc1CCNCF 34a_100011663701_100015361967 [0,2,0,0,0,0|1,0,0]=3 16086 B13R1.84 CCc1ccccc1COCSC 34a_100011663872_100011218213 [0,2,0,0,0,0|2,0,0]=4 16087 B13R1.84 CCc1ccccc1NCCOC 2230a_100000212081_100011201679 [0,2,0,0,0,0|2,0,0]=4 16088 B13R1.84 CCc1ccccc1NCCOC 34a_100000212081_100011201679 [0,2,0,0,0,0|2,0,0]=4 16089 B13R1.84 CCc1ccccc1NCCOC 7a_100000212081_100000233755 [0,2,0,0,0,0|2,0,0]=4 16090 B13R1.84 CCc1ccccc1NCCSC 2230a_100000212081_100000751147 [0,2,0,0,0,0|2,0,0]=4 16091 B13R1.84 CCc1ccccc1NCCSC 34a_100000212081_100000212216 [0,2,0,0,0,0|2,0,0]=4 16092 B13R1.84 CCc1ccccc1NCCSC 7a_100000212081_100000212216 [0,2,0,0,0,0|2,0,0]=4 16093 B13R1.84 CCc1ccccc1OCCOC 34a_100000210936_100011201679 [0,2,0,0,0,0|2,0,0]=4 16094 B13R1.84 CCc1ccccc1OCCOC 7a_100000210936_100000233755 [0,2,0,0,0,0|2,0,0]=4 16095 B13R1.84 CCc1ccccc1OCCSC 34a_100000210936_100000212216 [0,2,0,0,0,0|2,0,0]=4 16096 B13R1.84 CCc1ccccc1OCCSC 7a_100000210936_100000212216 [0,2,0,0,0,0|2,0,0]=4 16097 B13R1.84 CCc1ccccc1SCCOC 62a_100000233755_100011215823 [0,2,0,0,0,0|2,0,0]=4 16098 B13R1.84 CCc1ccccc1SCCOC 62a_100011215823_100000233755 [0,2,0,0,0,0|2,0,0]=4 16099 B13R1.84 CCc1ccccc1SCCSC 62a_100000212216_100011215823 [0,2,0,0,0,0|2,0,0]=4 16100 B13R1.84 CCc1ccccc1SCCSC 62a_100011215823_100000751147 [0,2,0,0,0,0|2,0,0]=4 16101 B13R1.84 CNCC=Cc1ccccc1OC 270004a_106832991635_100000210733 [0,2,0,0,0,0|1,0,1]=4 16102 B13R1.84 CNCCCc1ccccc1OC 270004a_106832991635_100011713476 [0,2,0,0,0,0|1,0,0]=3 16103 B13R1.84 CNCCOc1ccccc1C#N 2230a_106726388804_200000210301 [0,2,0,0,0,0|1,0,0]=3 16104 B13R1.84 CNCCOc1ccccc1C#N 2230a_106832991635_100000743737 [0,2,0,0,0,0|1,0,0]=3 16105 B13R1.84 CNCCOc1ccccc1C#N 34a_100102657272_100000743737 [0,2,0,0,0,0|1,0,0]=3 16106 B13R1.84 CNCCOc1ccccc1C#N 34a_106726388804_200000210301 [0,2,0,0,0,0|1,0,0]=3 16107 B13R1.84 CNCCOc1ccccc1C#N 7a_106832991635_100000743737 [0,2,0,0,0,0|1,0,0]=3 16108 B13R1.84 CNCCOc1ccccc1C=O 2230a_106832991635_100009990610 [0,2,0,0,0,0|1,0,0]=3 16109 B13R1.84 CNCCOc1ccccc1C=O 34a_100102657272_100009990610 [0,2,0,0,0,0|1,0,0]=3 16110 B13R1.84 CNCCOc1ccccc1C=O 7a_106832991635_100009990610 [0,2,0,0,0,0|1,0,0]=3 16111 B13R1.84 CNCCOc1ccccc1OC 2230a_100000683763_200000210301 [0,2,0,0,0,0|1,0,0]=3 16112 B13R1.84 CNCCOc1ccccc1OC 2230a_106832991635_100000188471 [0,2,0,0,0,0|1,0,0]=3 16113 B13R1.84 CNCCOc1ccccc1OC 34a_100000683763_200000210301 [0,2,0,0,0,0|1,0,0]=3 16114 B13R1.84 CNCCOc1ccccc1OC 34a_100102657272_100000188471 [0,2,0,0,0,0|1,0,0]=3 16115 B13R1.84 CNCCOc1ccccc1OC 7a_106832991635_100000188471 [0,2,0,0,0,0|1,0,0]=3 16116 B13R1.84 CNCCOc1ccccc1SC 2230a_100011893647_200000210301 [0,2,0,0,0,0|1,0,0]=3 16117 B13R1.84 CNCCOc1ccccc1SC 34a_100011893647_200000210301 [0,2,0,0,0,0|1,0,0]=3 16118 B13R1.84 CNc1ccccc1OCCOC 34a_100000033821_100011201679 [0,2,0,0,0,0|2,0,0]=4 16119 B13R1.84 CNc1ccccc1OCCOC 34a_100000744978_200000210301 [0,2,0,0,0,0|2,0,0]=4 16120 B13R1.84 CNc1ccccc1OCCSC 34a_100000033821_100000212216 [0,2,0,0,0,0|2,0,0]=4 16121 B13R1.84 CNc1ccccc1SCCOC 62a_100000233755_100020606079 [0,2,0,0,0,0|2,0,0]=4 16122 B13R1.84 CNc1ccccc1SCCOC 62a_100020606079_100000233755 [0,2,0,0,0,0|2,0,0]=4 16123 B13R1.84 CNc1ccccc1SCCSC 62a_100000212216_100020606079 [0,2,0,0,0,0|2,0,0]=4 16124 B13R1.84 CNc1ccccc1SCCSC 62a_100020606079_100000751147 [0,2,0,0,0,0|2,0,0]=4 16125 B13R1.84 COCCCc1ccccc1OC 34a_100011709264_200000210301 [0,2,0,0,0,0|2,0,0]=4 16126 B13R1.84 COCCCc1ccccc1OC 7a_100011709264_200000210301 [0,2,0,0,0,0|2,0,0]=4 16127 B13R1.84 COCCNc1ccccc1C#N 34a_100000211148_100011201679 [0,2,0,0,0,0|2,0,0]=4 16128 B13R1.84 COCCNc1ccccc1CO 34a_100000212039_100011201679 [0,2,0,0,0,0|2,0,0]=4 16129 B13R1.84 COCCNc1ccccc1OC 34a_100000210025_100011201679 [0,2,0,0,0,0|2,0,0]=4 16130 B13R1.84 COCCNc1ccccc1SC 34a_100000211160_100011201679 [0,2,0,0,0,0|2,0,0]=4 16131 B13R1.84 COCCOc1ccccc1C#N 34a_100000211048_100011201679 [0,2,0,0,0,0|2,0,0]=4 16132 B13R1.84 COCCOc1ccccc1C#N 34a_100138415774_100000743737 [0,2,0,0,0,0|2,0,0]=4 16133 B13R1.84 COCCOc1ccccc1C#N 7a_100000211048_100000233755 [0,2,0,0,0,0|2,0,0]=4 16134 B13R1.84 COCCOc1ccccc1C=O 34a_100138415774_100009990610 [0,2,0,0,0,0|2,0,0]=4 16135 B13R1.84 COCCOc1ccccc1CN 34a_100000185550_100011201679 [0,2,0,0,0,0|2,0,0]=4 16136 B13R1.84 COCCOc1ccccc1CO 34a_100011216872_100011201679 [0,2,0,0,0,0|2,0,0]=4 16137 B13R1.84 COCCOc1ccccc1N[13CH3] 34a_100000744978_200025704644 [0,2,0,0,0,0|2,0,0]=4 16138 B13R1.84 COCCOc1ccccc1OC 34a_100000210385_100011201679 [0,2,0,0,0,0|2,0,0]=4 16139 B13R1.84 COCCOc1ccccc1OC 34a_100138415774_100000188471 [0,2,0,0,0,0|2,0,0]=4 16140 B13R1.84 COCCOc1ccccc1SC 34a_100011216402_100011201679 [0,2,0,0,0,0|2,0,0]=4 16141 B13R1.84 COCCOc1ccccc1SC 62a_100000234100_200000210301 [0,2,0,0,0,0|2,0,0]=4 16142 B13R1.84 COCCOc1ccccc1SC 62a_200000210301_100000234100 [0,2,0,0,0,0|2,0,0]=4 16143 B13R1.84 COCCOc1ccccc1S[13CH3] 62a_100000234100_200025704644 [0,2,0,0,0,0|2,0,0]=4 16144 B13R1.84 COCCOc1ccccc1S[13CH3] 62a_200025704644_100000234100 [0,2,0,0,0,0|2,0,0]=4 16145 B13R1.84 COCCSc1ccccc1C#N 62a_100000233755_100000188569 [0,2,0,0,0,0|2,0,0]=4 16146 B13R1.84 COCCSc1ccccc1C=O 62a_100000210073_100000233755 [0,2,0,0,0,0|2,0,0]=4 16147 B13R1.84 COCCSc1ccccc1C=O 62a_100000233755_100000210073 [0,2,0,0,0,0|2,0,0]=4 16148 B13R1.84 COCCSc1ccccc1CN 62a_100000233755_100000689332 [0,2,0,0,0,0|2,0,0]=4 16149 B13R1.84 COCCSc1ccccc1CN 62a_100000689332_100000233755 [0,2,0,0,0,0|2,0,0]=4 16150 B13R1.84 COCCSc1ccccc1CO 62a_100000187465_100000233755 [0,2,0,0,0,0|2,0,0]=4 16151 B13R1.84 COCCSc1ccccc1CO 62a_100000233755_100000187465 [0,2,0,0,0,0|2,0,0]=4 16152 B13R1.84 COCCSc1ccccc1NN 62a_100000233755_100000241748 [0,2,0,0,0,0|2,0,0]=4 16153 B13R1.84 COCCSc1ccccc1NN 62a_100000241748_100000233755 [0,2,0,0,0,0|2,0,0]=4 16154 B13R1.84 COCCSc1ccccc1OC 62a_100000210334_100000233755 [0,2,0,0,0,0|2,0,0]=4 16155 B13R1.84 COCCSc1ccccc1OC 62a_100000233755_100000210334 [0,2,0,0,0,0|2,0,0]=4 16156 B13R1.84 COCCSc1ccccc1OC 7a_200011448452_200000210301 [0,2,0,0,0,0|2,0,0]=4 16157 B13R1.84 COCCSc1ccccc1SC 62a_100000233755_100011217816 [0,2,0,0,0,0|2,0,0]=4 16158 B13R1.84 COCCSc1ccccc1SC 62a_100011217816_100000233755 [0,2,0,0,0,0|2,0,0]=4 16159 B13R1.84 COCCSc1ccccc1SC 62a_200000210301_200016336083 [0,2,0,0,0,0|2,0,0]=4 16160 B13R1.84 COCCSc1ccccc1SC 62a_200016336083_200000210301 [0,2,0,0,0,0|2,0,0]=4 16161 B13R1.84 COCCSc1ccccc1S[13CH3] 62a_200016336083_200025704644 [0,2,0,0,0,0|2,0,0]=4 16162 B13R1.84 COCCSc1ccccc1S[13CH3] 62a_200025704644_200016336083 [0,2,0,0,0,0|2,0,0]=4 16163 B13R1.84 COCSCc1ccccc1C#N 62a_100000186380_100000766300 [0,2,0,0,0,0|2,0,0]=4 16164 B13R1.84 COCSCc1ccccc1C#N 62a_100000766300_100000181865 [0,2,0,0,0,0|2,0,0]=4 16165 B13R1.84 COCSCc1ccccc1C=O 62a_100000766300_200009853537 [0,2,0,0,0,0|2,0,0]=4 16166 B13R1.84 COCSCc1ccccc1C=O 62a_200009853537_100000766300 [0,2,0,0,0,0|2,0,0]=4 16167 B13R1.84 COCSCc1ccccc1CO 62a_100000766300_100009816955 [0,2,0,0,0,0|2,0,0]=4 16168 B13R1.84 COCSCc1ccccc1CO 62a_100009816955_100000766300 [0,2,0,0,0,0|2,0,0]=4 16169 B13R1.84 COCSCc1ccccc1OC 62a_100000210004_100000766300 [0,2,0,0,0,0|2,0,0]=4 16170 B13R1.84 COCSCc1ccccc1OC 62a_100000766300_100000210004 [0,2,0,0,0,0|2,0,0]=4 16171 B13R1.84 COCSCc1ccccc1SC 62a_100000699184_100000766300 [0,2,0,0,0,0|2,0,0]=4 16172 B13R1.84 COCSCc1ccccc1SC 62a_100000766300_100000699184 [0,2,0,0,0,0|2,0,0]=4 16173 B13R1.84 COc1ccccc1CCCO[13CH3] 34a_100011709264_200025704644 [0,2,0,0,0,0|2,0,0]=4 16174 B13R1.84 COc1ccccc1CCCO[13CH3] 7a_100011709264_200025704644 [0,2,0,0,0,0|2,0,0]=4 16175 B13R1.84 COc1ccccc1CCNCF 34a_100000211851_100015361967 [0,2,0,0,0,0|1,0,0]=3 16176 B13R1.84 COc1ccccc1CCOCF 34a_100011218620_100015361967 [0,2,0,0,0,0|2,0,0]=4 16177 B13R1.84 COc1ccccc1CCOCF 7a_100011218620_100015361967 [0,2,0,0,0,0|2,0,0]=4 16178 B13R1.84 COc1ccccc1CCSCF 62a_100011713687_100015361967 [0,2,0,0,0,0|2,0,0]=4 16179 B13R1.84 COc1ccccc1CCSCF 62a_100015361967_100011713687 [0,2,0,0,0,0|2,0,0]=4 16180 B13R1.84 COc1ccccc1CNCSC 34a_100000188900_100011218213 [0,2,0,0,0,0|2,0,0]=4 16181 B13R1.84 COc1ccccc1COCSC 34a_100000211301_100011218213 [0,2,0,0,0,0|2,0,0]=4 16182 B13R1.84 COc1ccccc1CSCSC 62a_100000210004_100011218213 [0,2,0,0,0,0|2,0,0]=4 16183 B13R1.84 COc1ccccc1CSCSC 62a_100011218213_100000210004 [0,2,0,0,0,0|2,0,0]=4 16184 B13R1.84 COc1ccccc1NCCSC 34a_100000210025_100000212216 [0,2,0,0,0,0|2,0,0]=4 16185 B13R1.84 COc1ccccc1OCCN[13CH3] 2230a_100000683763_200025704644 [0,2,0,0,0,0|1,0,0]=3 16186 B13R1.84 COc1ccccc1OCCN[13CH3] 34a_100000683763_200025704644 [0,2,0,0,0,0|1,0,0]=3 16187 B13R1.84 COc1ccccc1OCCSC 34a_100000210385_100000212216 [0,2,0,0,0,0|2,0,0]=4 16188 B13R1.84 COc1ccccc1OCCSC 62a_100000188471_200000210301 [0,2,0,0,0,0|2,0,0]=4 16189 B13R1.84 COc1ccccc1OCCSC 62a_200000210301_100000188471 [0,2,0,0,0,0|2,0,0]=4 16190 B13R1.84 COc1ccccc1OCCS[13CH3] 62a_100000188471_200025704644 [0,2,0,0,0,0|2,0,0]=4 16191 B13R1.84 COc1ccccc1OCCS[13CH3] 62a_200025704644_100000188471 [0,2,0,0,0,0|2,0,0]=4 16192 B13R1.84 COc1ccccc1SCCO[13CH3] 7a_200011448452_200025704644 [0,2,0,0,0,0|2,0,0]=4 16193 B13R1.84 COc1ccccc1SCCSC 62a_100000210334_100000751147 [0,2,0,0,0,0|2,0,0]=4 16194 B13R1.84 COc1ccccc1SCCSC 62a_100000212216_100000210334 [0,2,0,0,0,0|2,0,0]=4 16195 B13R1.84 CSCCNc1ccccc1C#N 34a_100000211148_100000212216 [0,2,0,0,0,0|2,0,0]=4 16196 B13R1.84 CSCCNc1ccccc1CO 34a_100000212039_100000212216 [0,2,0,0,0,0|2,0,0]=4 16197 B13R1.84 CSCCNc1ccccc1SC 34a_100000211160_100000212216 [0,2,0,0,0,0|2,0,0]=4 16198 B13R1.84 CSCCOc1ccccc1C#N 34a_100000211048_100000212216 [0,2,0,0,0,0|2,0,0]=4 16199 B13R1.84 CSCCOc1ccccc1C#N 62a_100000743737_200000210301 [0,2,0,0,0,0|2,0,0]=4 16200 B13R1.84 CSCCOc1ccccc1C#N 62a_200000210301_100000743737 [0,2,0,0,0,0|2,0,0]=4 16201 B13R1.84 CSCCOc1ccccc1C#N 7a_100000211048_100000212216 [0,2,0,0,0,0|2,0,0]=4 16202 B13R1.84 CSCCOc1ccccc1C=O 62a_100009990610_200000210301 [0,2,0,0,0,0|2,0,0]=4 16203 B13R1.84 CSCCOc1ccccc1C=O 62a_200000210301_100009990610 [0,2,0,0,0,0|2,0,0]=4 16204 B13R1.84 CSCCOc1ccccc1CN 34a_100000185550_100000212216 [0,2,0,0,0,0|2,0,0]=4 16205 B13R1.84 CSCCOc1ccccc1CO 34a_100011216872_100000212216 [0,2,0,0,0,0|2,0,0]=4 16206 B13R1.84 CSCCOc1ccccc1SC 34a_100011216402_100000212216 [0,2,0,0,0,0|2,0,0]=4 16207 B13R1.84 CSCCSc1ccccc1C#N 62a_100000212216_100000188569 [0,2,0,0,0,0|2,0,0]=4 16208 B13R1.84 CSCCSc1ccccc1C=O 62a_100000210073_100000751147 [0,2,0,0,0,0|2,0,0]=4 16209 B13R1.84 CSCCSc1ccccc1C=O 62a_100000212216_100000210073 [0,2,0,0,0,0|2,0,0]=4 16210 B13R1.84 CSCCSc1ccccc1CN 62a_100000212216_100000689332 [0,2,0,0,0,0|2,0,0]=4 16211 B13R1.84 CSCCSc1ccccc1CN 62a_100000689332_100000751147 [0,2,0,0,0,0|2,0,0]=4 16212 B13R1.84 CSCCSc1ccccc1CO 62a_100000187465_100000751147 [0,2,0,0,0,0|2,0,0]=4 16213 B13R1.84 CSCCSc1ccccc1CO 62a_100000212216_100000187465 [0,2,0,0,0,0|2,0,0]=4 16214 B13R1.84 CSCCSc1ccccc1NN 62a_100000212216_100000241748 [0,2,0,0,0,0|2,0,0]=4 16215 B13R1.84 CSCCSc1ccccc1NN 62a_100000241748_100000751147 [0,2,0,0,0,0|2,0,0]=4 16216 B13R1.84 CSCCSc1ccccc1SC 62a_100000212216_100011217816 [0,2,0,0,0,0|2,0,0]=4 16217 B13R1.84 CSCCSc1ccccc1SC 62a_100011217816_100000751147 [0,2,0,0,0,0|2,0,0]=4 16218 B13R1.84 CSCNCc1ccccc1C#N 34a_100016989011_100011218213 [0,2,0,0,0,0|2,0,0]=4 16219 B13R1.84 CSCNCc1ccccc1SC 34a_102495365025_100011218213 [0,2,0,0,0,0|2,0,0]=4 16220 B13R1.84 CSCOCc1ccccc1C#N 34a_200011269968_100011218213 [0,2,0,0,0,0|2,0,0]=4 16221 B13R1.84 CSCOCc1ccccc1CBr 34a_100009816955_100011218213 [0,2,0,0,0,0|1,1,0]=4 16222 B13R1.84 CSCOCc1ccccc1CN 34a_100000743596_100011218213 [0,2,0,0,0,0|2,0,0]=4 16223 B13R1.84 CSCOCc1ccccc1SC 34a_100000699167_100011218213 [0,2,0,0,0,0|2,0,0]=4 16224 B13R1.84 CSCSCc1ccccc1C#N 62a_100000186380_100011218213 [0,2,0,0,0,0|2,0,0]=4 16225 B13R1.84 CSCSCc1ccccc1C#N 62a_100011218213_100000181865 [0,2,0,0,0,0|2,0,0]=4 16226 B13R1.84 CSCSCc1ccccc1C=O 62a_100011218213_200009853537 [0,2,0,0,0,0|2,0,0]=4 16227 B13R1.84 CSCSCc1ccccc1C=O 62a_200009853537_100011218213 [0,2,0,0,0,0|2,0,0]=4 16228 B13R1.84 CSCSCc1ccccc1CO 62a_100009816955_100011218213 [0,2,0,0,0,0|2,0,0]=4 16229 B13R1.84 CSCSCc1ccccc1CO 62a_100011218213_100009816955 [0,2,0,0,0,0|2,0,0]=4 16230 B13R1.84 CSCSCc1ccccc1SC 62a_100000699184_100011218213 [0,2,0,0,0,0|2,0,0]=4 16231 B13R1.84 CSCSCc1ccccc1SC 62a_100011218213_100000699184 [0,2,0,0,0,0|2,0,0]=4 16232 B13R1.84 CSc1ccccc1CCCCO 62a_100012092669_200000210301 [0,2,0,0,0,0|2,0,0]=4 16233 B13R1.84 CSc1ccccc1CCCCO 62a_200000210301_100012092669 [0,2,0,0,0,0|2,0,0]=4 16234 B13R1.84 CSc1ccccc1OCCN[13CH3] 2230a_100011893647_200025704644 [0,2,0,0,0,0|1,0,0]=3 16235 B13R1.84 CSc1ccccc1OCCN[13CH3] 34a_100011893647_200025704644 [0,2,0,0,0,0|1,0,0]=3 16236 B13R1.84 FCNCCc1ccccc1[Pd]Cl 34a_106741704370_100015361967 [0,2,0,0,0,0|0,0,0]=2 16237 B13R1.84 FCNCCc1ccccc1[Pd]Cl 7a_106741704370_100015361967 [0,2,0,0,0,0|0,0,0]=2 16238 B13R1.84 N#Cc1ccccc1CCSCF 62a_100015361967_200013032965 [0,2,0,0,0,0|2,0,0]=4 16239 B13R1.84 O=Cc1ccccc1CCSCF 62a_100010186698_100015361967 [0,2,0,0,0,0|2,0,0]=4 16240 B13R1.84 O=Cc1ccccc1CCSCF 62a_100015361967_100010186698 [0,2,0,0,0,0|2,0,0]=4 16241 B13R1.84 [13CH3]NCCOc1ccccc1C#N 2230a_106726388804_200025704644 [0,2,0,0,0,0|1,0,0]=3 16242 B13R1.84 [13CH3]NCCOc1ccccc1C#N 34a_106726388804_200025704644 [0,2,0,0,0,0|1,0,0]=3 16243 B13R1.84 [13CH3]SCCOc1ccccc1C#N 62a_100000743737_200025704644 [0,2,0,0,0,0|2,0,0]=4 16244 B13R1.84 [13CH3]SCCOc1ccccc1C#N 62a_200025704644_100000743737 [0,2,0,0,0,0|2,0,0]=4 16245 B13R1.84 [13CH3]SCCOc1ccccc1C=O 62a_100009990610_200025704644 [0,2,0,0,0,0|2,0,0]=4 16246 B13R1.84 [13CH3]SCCOc1ccccc1C=O 62a_200025704644_100009990610 [0,2,0,0,0,0|2,0,0]=4 16247 B13R1.84 [13CH3]Sc1ccccc1CCCCO 62a_100012092669_200025704644 [0,2,0,0,0,0|2,0,0]=4 16248 B13R1.84 [13CH3]Sc1ccccc1CCCCO 62a_200025704644_100012092669 [0,2,0,0,0,0|2,0,0]=4 16249 B13R1.90 CC(=O)CCc1ccccc1C#N 1458a_100000025266_200000210301 [0,2,0,0,0,0|2,0,0]=4 16250 B13R1.90 CC(=O)CCc1ccccc1C#N 1458a_100000070787_200013032965 [0,2,0,0,0,0|2,0,0]=4 16251 B13R1.90 CC(=O)CCc1ccccc1C=O 1458a_100000070787_100010186698 [0,2,0,0,0,0|2,0,0]=4 16252 B13R1.90 CN(C)CCc1ccccc1C#N 2230a_100102631434_200013032965 [0,2,0,0,0,0|1,0,0]=3 16253 B13R1.90 CN(C)CCc1ccccc1C#N 269982a_100102631434_200013032965 [0,2,0,0,0,0|1,0,0]=3 16254 B13R1.90 CN(C)CCc1ccccc1C=O 2230a_100102631434_100010186698 [0,2,0,0,0,0|1,0,0]=3 16255 B13R1.90 CN(C)CCc1ccccc1C=O 269982a_100102631434_100010186698 [0,2,0,0,0,0|1,0,0]=3 16256 B13R1.90 COc1ccccc1CCC(=O)C 1458a_100000070787_100011713687 [0,2,0,0,0,0|2,0,0]=4 16257 B13R1.90 COc1ccccc1CCC(=O)C 1458a_100000184355_200000210301 [0,2,0,0,0,0|2,0,0]=4 16258 B13R1.90 COc1ccccc1CCC(=O)[13CH3] 1458a_100000184355_200025704644 [0,2,0,0,0,0|2,0,0]=4 16259 B13R1.90 COc1ccccc1CCN(C)C 2230a_100000231131_200000210301 [0,2,0,0,0,0|1,0,0]=3 16260 B13R1.90 COc1ccccc1CCN(C)C 2230a_100102631434_100011713687 [0,2,0,0,0,0|1,0,0]=3 16261 B13R1.90 COc1ccccc1CCN(C)C 269982a_100000231131_200000210301 [0,2,0,0,0,0|1,0,0]=3 16262 B13R1.90 COc1ccccc1CCN(C)C 269982a_100102631434_100011713687 [0,2,0,0,0,0|1,0,0]=3 16263 B13R1.90 COc1ccccc1CCN(C)C 270004a_100102631434_100011713418 [0,2,0,0,0,0|1,0,0]=3 16264 B13R1.90 COc1ccccc1CCN(C)[13CH3] 2230a_100000231131_200025704644 [0,2,0,0,0,0|1,0,0]=3 16265 B13R1.90 COc1ccccc1CCN(C)[13CH3] 269982a_100000231131_200025704644 [0,2,0,0,0,0|1,0,0]=3 16266 B13R1.90 [13CH3]C(=O)CCc1ccccc1C#N 1458a_100000025266_200025704644 [0,2,0,0,0,0|2,0,0]=4 16267 B13R1.91 C=Cc1ccccc1CC(=O)NC 271570a_100011290941_200009816160 [0,2,0,0,0,0|1,0,1]=4 16268 B13R1.91 CNC(=O)Cc1ccccc1C#N 11a_106832991635_100000238613 [0,2,0,0,0,0|1,0,1]=4 16269 B13R1.91 CNC(=O)Cc1ccccc1C#N 527a_100102657272_100000238613 [0,2,0,0,0,0|1,0,1]=4 16270 B13R1.91 CNC(=O)Cc1ccccc1NC 2230a_100000738506_200000210301 [0,2,0,0,0,0|1,0,1]=4 16271 B13R1.91 CNC(=O)Cc1ccccc1NC 34a_100000738506_200000210301 [0,2,0,0,0,0|1,0,1]=4 16272 B13R1.91 CNC(=O)Cc1ccccc1N[13CH3] 2230a_100000738506_200025704644 [0,2,0,0,0,0|1,0,1]=4 16273 B13R1.91 CNC(=O)Cc1ccccc1N[13CH3] 34a_100000738506_200025704644 [0,2,0,0,0,0|1,0,1]=4 16274 B13R1.91 CNC(=O)Cc1ccccc1OC 11a_106832991635_100000211604 [0,2,0,0,0,0|1,0,1]=4 16275 B13R1.91 CNC(=O)Cc1ccccc1OC 1626a_100102657272_100000211604 [0,2,0,0,0,0|1,0,1]=4 16276 B13R1.91 CNC(=O)Cc1ccccc1OC 240690a_100102657272_100000211604 [0,2,0,0,0,0|1,0,1]=4 16277 B13R1.91 CNC(=O)Cc1ccccc1OC 527a_100102657272_100000211604 [0,2,0,0,0,0|1,0,1]=4 16278 B13R1.91 CNC(=O)Cc1ccccc1SC 62a_200000210301_200009816160 [0,2,0,0,0,0|1,0,1]=4 16279 B13R1.91 CNC(=O)Cc1ccccc1SC 62a_200009816160_200000210301 [0,2,0,0,0,0|1,0,1]=4 16280 B13R1.91 CNC(=O)Cc1ccccc1S[13CH3] 62a_200009816160_200025704644 [0,2,0,0,0,0|1,0,1]=4 16281 B13R1.91 CNC(=O)Cc1ccccc1S[13CH3] 62a_200025704644_200009816160 [0,2,0,0,0,0|1,0,1]=4 16282 B13R1.91 CNC(C)Cc1ccccc1OC 270004a_106832991635_100000211486 [0,2,0,0,0,0|1,0,0]=3 16283 B13R1.91 COc1ccccc1CC(C)OC 7a_100000691916_200000210301 [0,2,0,0,0,0|2,0,0]=4 16284 B13R1.91 COc1ccccc1CC(C)O[13CH3] 7a_100000691916_200025704644 [0,2,0,0,0,0|2,0,0]=4 16285 B13R1.464 CNCC(=O)c1ccccc1OC 34a_100102657272_100000195505 [0,2,0,0,0,0|1,0,1]=4 16286 B13R1.464 CNCC(=O)c1ccccc1OC 7a_106832991635_100000195505 [0,2,0,0,0,0|1,0,1]=4 16287 B13R1.464 COCC(N)c1ccccc1OC 34a_100000756845_200000210301 [0,2,0,0,0,0|2,0,0]=4 16288 B13R1.464 COc1ccccc1C(N)CO[13CH3] 34a_100000756845_200025704644 [0,2,0,0,0,0|2,0,0]=4 16289 B13R1.485 C=CCc1ccccc1CCCC 271570a_100020621405_100009828059 [0,2,0,0,0,0|2,0,0]=4 16290 B13R1.485 CCCCc1ccccc1CC#N 271570a_100020621405_100000033512 [0,2,0,0,0,0|2,0,0]=4 16291 B13R1.485 CCCCc1ccccc1CCN 271570a_100020621405_100000747383 [0,2,0,0,0,0|2,0,0]=4 16292 B13R1.485 CCCCc1ccccc1CCO 271570a_100020621405_100000731337 [0,2,0,0,0,0|2,0,0]=4 16293 B13R1.485 CCCCc1ccccc1CNC 271570a_100020621405_100000184654 [0,2,0,0,0,0|2,0,0]=4 16294 B13R1.485 CCCCc1ccccc1CNN 271570a_100020621405_200016993956 [0,2,0,0,0,0|2,0,0]=4 16295 B13R1.485 CCCCc1ccccc1COC 271570a_100020621405_100011493684 [0,2,0,0,0,0|2,0,0]=4 16296 B13R1.485 CCCCc1ccccc1CSC 271570a_100020621405_100000148299 [0,2,0,0,0,0|2,0,0]=4 16297 B13R1.485 CCCCc1ccccc1N=[N+]=[N-] 271570a_100020621405_100000762926 [0,2,0,0,0,0|2,0,0]=4 16298 B13R1.485 CCCCc1ccccc1NCC 2230a_200011217597_100000210202 [0,2,0,0,0,0|2,0,0]=4 16299 B13R1.485 CCCCc1ccccc1NCC 271570a_100020621405_114873767003 [0,2,0,0,0,0|2,0,0]=4 16300 B13R1.485 CCCCc1ccccc1NCC 34a_200011217597_100000210202 [0,2,0,0,0,0|2,0,0]=4 16301 B13R1.485 CCCCc1ccccc1NCC 7a_200011217597_100000210202 [0,2,0,0,0,0|2,0,0]=4 16302 B13R1.485 CCCCc1ccccc1NCF 34a_200011217597_100015361967 [0,2,0,0,0,0|1,1,0]=4 16303 B13R1.485 CCCCc1ccccc1NCF 7a_200011217597_100015361967 [0,2,0,0,0,0|1,1,0]=4 16304 B13R1.485 CCCCc1ccccc1OCC 271570a_100020621405_100000230754 [0,2,0,0,0,0|2,0,0]=4 16305 B13R1.485 CCCCc1ccccc1SCC 271570a_100020621405_100000230856 [0,2,0,0,0,0|2,0,0]=4 16306 B13R1.485 CCOc1ccccc1CCNC 2230a_100000750806_200000210301 [0,2,0,0,0,0|1,0,0]=3 16307 B13R1.485 CCOc1ccccc1CCNC 34a_100000750806_200000210301 [0,2,0,0,0,0|1,0,0]=3 16308 B13R1.485 CCOc1ccccc1CCN[13CH3] 2230a_100000750806_200025704644 [0,2,0,0,0,0|1,0,0]=3 16309 B13R1.485 CCOc1ccccc1CCN[13CH3] 34a_100000750806_200025704644 [0,2,0,0,0,0|1,0,0]=3 16310 B13R1.485 CCOc1ccccc1CCOC 34a_100000722730_100000210202 [0,2,0,0,0,0|2,0,0]=4 16311 B13R1.485 CCOc1ccccc1CCOC 34a_100011754905_200000210301 [0,2,0,0,0,0|2,0,0]=4 16312 B13R1.485 CCOc1ccccc1CCOC 7a_100000722730_100000210202 [0,2,0,0,0,0|2,0,0]=4 16313 B13R1.485 CCOc1ccccc1CCOC 7a_100011754905_200000210301 [0,2,0,0,0,0|2,0,0]=4 16314 B13R1.485 CCOc1ccccc1CCO[13CH3] 34a_100011754905_200025704644 [0,2,0,0,0,0|2,0,0]=4 16315 B13R1.485 CCOc1ccccc1CCO[13CH3] 7a_100011754905_200025704644 [0,2,0,0,0,0|2,0,0]=4 16316 B13R1.485 COCCc1ccccc1OCF 34a_100000722730_100015361967 [0,2,0,0,0,0|1,1,0]=4 16317 B13R1.485 COCCc1ccccc1OCF 7a_100000722730_100015361967 [0,2,0,0,0,0|1,1,0]=4 16318 B13R1.556 CCCCc1cc(ccc1C#N)Br 271570a_100020621405_100010214477 [0,2,0,0,0,0|2,0,0]=4 16319 B13R1.556 CCCCc1cc(ccc1C#N)C 271570a_100020621405_100000693804 [0,2,0,0,0,0|2,0,0]=4 16320 B13R1.556 CCCCc1cc(ccc1C#N)Cl 271570a_100020621405_100012355178 [0,2,0,0,0,0|2,0,0]=4 16321 B13R1.556 CCCCc1cc(ccc1C#N)F 271570a_100020621405_100000747196 [0,2,0,0,0,0|2,0,0]=4 16322 B13R1.556 CCCCc1cc(ccc1C#N)N 271570a_100020621405_100000689153 [0,2,0,0,0,0|2,0,0]=4 16323 B13R1.556 CCCCc1cc(ccc1C#N)O 271570a_100020621405_100012184851 [0,2,0,0,0,0|2,0,0]=4 16324 B13R1.556 CCCCc1cc(ccc1C=O)Br 271570a_100020621405_100010146562 [0,2,0,0,0,0|2,0,0]=4 16325 B13R1.556 CCCCc1cc(ccc1C=O)C 271570a_100020621405_100000692596 [0,2,0,0,0,0|2,0,0]=4 16326 B13R1.556 CCCCc1cc(ccc1C=O)F 271570a_100020621405_100000752949 [0,2,0,0,0,0|2,0,0]=4 16327 B13R1.556 CCCCc1cc(ccc1C=O)O 271570a_100020621405_100011236494 [0,2,0,0,0,0|2,0,0]=4 16328 B13R1.556 CCCCc1cc(ccc1CN)F 271570a_100020621405_100000708791 [0,2,0,0,0,0|2,0,0]=4 16329 B13R1.556 CCCCc1cc(ccc1CO)Br 271570a_100020621405_100010146605 [0,2,0,0,0,0|2,0,0]=4 16330 B13R1.556 CCCCc1cc(ccc1CO)Cl 271570a_100020621405_100000722340 [0,2,0,0,0,0|2,0,0]=4 16331 B13R1.556 CCCCc1cc(ccc1CO)F 271570a_100020621405_100000744086 [0,2,0,0,0,0|2,0,0]=4 16332 B13R1.556 CCCCc1cc(ccc1CO)O 271570a_100020621405_100010146404 [0,2,0,0,0,0|2,0,0]=4 16333 B13R1.556 CCCCc1cc(ccc1NC)C 271570a_100020621405_100000221369 [0,2,0,0,0,0|2,0,0]=4 16334 B13R1.556 CCCCc1cc(ccc1NC)F 271570a_100020621405_100011246292 [0,2,0,0,0,0|2,0,0]=4 16335 B13R1.556 CCCCc1cc(ccc1NN)C 271570a_100020621405_100016996181 [0,2,0,0,0,0|2,0,0]=4 16336 B13R1.556 CCCCc1cc(ccc1OC)Br 271570a_100020621405_100012351588 [0,2,0,0,0,0|2,0,0]=4 16337 B13R1.556 CCCCc1cc(ccc1OC)C 271570a_100020621405_100000186399 [0,2,0,0,0,0|2,0,0]=4 16338 B13R1.556 CCCCc1cc(ccc1OC)Cl 271570a_100020621405_100011215930 [0,2,0,0,0,0|2,0,0]=4 16339 B13R1.556 CCCCc1cc(ccc1OC)F 271570a_100020621405_100000171694 [0,2,0,0,0,0|2,0,0]=4 16340 B13R1.556 CCCCc1cc(ccc1OC)N 271570a_100020621405_100000187427 [0,2,0,0,0,0|2,0,0]=4 16341 B13R1.556 CCCCc1cc(ccc1OC)O 271570a_100020621405_100010084122 [0,2,0,0,0,0|2,0,0]=4 16342 B13R1.556 CCCCc1cc(ccc1SC)C 271570a_100020621405_200010201864 [0,2,0,0,0,0|2,0,0]=4 16343 B13R1.556 CCCCc1cc(ccc1SC)F 271570a_100020621405_100009817003 [0,2,0,0,0,0|2,0,0]=4 16344 B13R1.556 CNCCc1cc(ccc1OC)Br 2230a_100000763266_200000210301 [0,2,0,0,0,0|1,0,0]=3 16345 B13R1.556 CNCCc1cc(ccc1OC)Br 34a_100000763266_200000210301 [0,2,0,0,0,0|1,0,0]=3 16346 B13R1.556 COc1ccc(cc1CCN[13CH3])Br 2230a_100000763266_200025704644 [0,2,0,0,0,0|1,0,0]=3 16347 B13R1.556 COc1ccc(cc1CCN[13CH3])Br 34a_100000763266_200025704644 [0,2,0,0,0,0|1,0,0]=3 16348 B13R1.572 CCCCc1ccccc1B(O)O 271570a_100020621405_100000693059 [0,2,0,0,0,0|2,0,0]=4 16349 B13R1.572 CCCCc1ccccc1C(=O)C 271570a_100020621405_100000751169 [0,2,0,0,0,0|2,0,0]=4 16350 B13R1.572 CCCCc1ccccc1C(=O)N 271570a_100020621405_100000162227 [0,2,0,0,0,0|2,0,0]=4 16351 B13R1.572 CCCCc1ccccc1C(C)C 271570a_100020621405_100011218076 [0,2,0,0,0,0|2,0,0]=4 16352 B13R1.572 CCCCc1ccccc1C(C)N 271570a_100020621405_100000181357 [0,2,0,0,0,0|2,0,0]=4 16353 B13R1.572 CCCCc1ccccc1C(C)O 271570a_100020621405_100000702211 [0,2,0,0,0,0|2,0,0]=4 16354 B13R1.572 CCCCc1ccccc1C(F)F 271570a_100020621405_100010169824 [0,2,0,0,0,0|1,1,0]=4 16355 B13R1.572 CCCCc1ccccc1N(C)C 271570a_100020621405_100011290883 [0,2,0,0,0,0|2,0,0]=4 16356 B13R1.572 CCCCc1ccccc1S(=O)C 271570a_100020621405_100000734199 [0,2,0,0,0,0|2,0,0]=4 16357 B13R1.572 CNCCc1ccccc1[N+](=O)[O-] 2230a_100000723993_200000210301 [0,2,0,0,0,0|1,0,0]=3 16358 B13R1.572 CNCCc1ccccc1[N+](=O)[O-] 2230a_106832991635_200011934512 [0,2,0,0,0,0|1,0,0]=3 16359 B13R1.572 CNCCc1ccccc1[N+](=O)[O-] 34a_100102657272_200011934512 [0,2,0,0,0,0|1,0,0]=3 16360 B13R1.572 CNCCc1ccccc1[N+](=O)[O-] 7a_106832991635_200011934512 [0,2,0,0,0,0|1,0,0]=3 16361 B13R1.572 COCCc1ccccc1[N+](=O)[O-] 34a_100000749287_200000210301 [0,2,0,0,0,0|2,0,0]=4 16362 B13R1.572 COCCc1ccccc1[N+](=O)[O-] 34a_100138415774_200011934512 [0,2,0,0,0,0|2,0,0]=4 16363 B13R1.572 COCCc1ccccc1[N+](=O)[O-] 7a_100000749287_200000210301 [0,2,0,0,0,0|2,0,0]=4 16364 B13R1.572 [13CH3]NCCc1ccccc1[N+](=O)[O-] 2230a_100000723993_200025704644 [0,2,0,0,0,0|1,0,0]=3 16365 B13R1.572 [13CH3]OCCc1ccccc1[N+](=O)[O-] 34a_100000749287_200025704644 [0,2,0,0,0,0|2,0,0]=4 16366 B13R1.572 [13CH3]OCCc1ccccc1[N+](=O)[O-] 7a_100000749287_200025704644 [0,2,0,0,0,0|2,0,0]=4 16367 B13R1.1619 CCCCc1c(cccc1C#N)Br 271570a_100020621405_100000703783 [0,2,0,0,0,0|1,1,0]=4 16368 B13R1.1619 CCCCc1c(cccc1C#N)C 271570a_100020621405_100011934862 [0,2,0,0,0,0|2,0,0]=4 16369 B13R1.1619 CCCCc1c(cccc1C#N)Cl 271570a_100020621405_100010134094 [0,2,0,0,0,0|1,0,0]=3 16370 B13R1.1619 CCCCc1c(cccc1C#N)F 271570a_100020621405_100011219237 [0,2,0,0,0,0|1,1,0]=4 16371 B13R1.1619 CCCCc1c(cccc1C#N)N 271570a_100020621405_100009877206 [0,2,0,0,0,0|2,0,0]=4 16372 B13R1.1619 CCCCc1c(cccc1C#N)O 271570a_100020621405_100009818990 [0,2,0,0,0,0|2,0,0]=4 16373 B13R1.1619 CCCCc1c(cccc1C=O)F 271570a_100020621405_100011998484 [0,2,0,0,0,0|1,1,0]=4 16374 B13R1.1619 CCCCc1c(cccc1C=O)O 271570a_100020621405_100009816417 [0,2,0,0,0,0|2,0,0]=4 16375 B13R1.1619 CCCCc1c(cccc1CC)C 271570a_100020621405_100000036235 [0,2,0,0,0,0|2,0,0]=4 16376 B13R1.1619 CCCCc1c(cccc1CO)Br 271570a_100020621405_100010146604 [0,2,0,0,0,0|1,1,0]=4 16377 B13R1.1619 CCCCc1c(cccc1CO)C 271570a_100020621405_100011659289 [0,2,0,0,0,0|2,0,0]=4 16378 B13R1.1619 CCCCc1c(cccc1CO)F 271570a_100020621405_100000692438 [0,2,0,0,0,0|1,1,0]=4 16379 B13R1.1619 CCCCc1c(cccc1OC)Br 271570a_100020621405_100010131421 [0,2,0,0,0,0|1,1,0]=4 16380 B13R1.1619 CCCCc1c(cccc1OC)F 271570a_100020621405_100000041735 [0,2,0,0,0,0|1,1,0]=4 16381 B13R1.1619 CCCCc1c(cccc1OC)N 271570a_100020621405_100000703447 [0,2,0,0,0,0|2,0,0]=4 16382 B13R1.1619 CCCCc1c(cccc1OC)O 271570a_100020621405_100010202623 [0,2,0,0,0,0|2,0,0]=4 16383 B13R1.1619 CCCNc1c(cccc1CO)Cl 34a_100012182729_100000210303 [0,2,0,0,0,0|2,0,0]=4 16384 B13R1.1619 CCCNc1c(cccc1OC)Cl 34a_100011309317_100000210303 [0,2,0,0,0,0|2,0,0]=4 16385 B13R1.1619 CCCOc1c(cccc1C#N)Cl 34a_100009866432_100000210303 [0,2,0,0,0,0|2,0,0]=4 16386 B13R1.1619 CCCOc1c(cccc1C#N)Cl 7a_100009866432_100000210303 [0,2,0,0,0,0|2,0,0]=4 16387 B13R1.1619 CCCOc1c(cccc1NC)Cl 34a_200015187207_200000210301 [0,2,0,0,0,0|2,0,0]=4 16388 B13R1.1619 CCCOc1c(cccc1N[13CH3])Cl 34a_200015187207_200025704644 [0,2,0,0,0,0|2,0,0]=4 16389 B13R1.1619 CCCOc1c(cccc1OC)Cl 34a_100009851661_100000210303 [0,2,0,0,0,0|2,0,0]=4 16390 B13R1.1619 CCCOc1c(cccc1OC)Cl 7a_100009851661_100000210303 [0,2,0,0,0,0|2,0,0]=4 16391 B13R1.1619 CCCSc1c(cccc1C#N)Cl 62a_100000210303_100010134094 [0,2,0,0,0,0|2,0,0]=4 16392 B13R1.1619 CCNCc1c(cccc1C#N)Cl 2230a_100015525214_100010254528 [0,2,0,0,0,0|2,0,0]=4 16393 B13R1.1619 CCNCc1c(cccc1OC)Cl 207a_100015525214_100000757644 [0,2,0,0,0,0|2,0,0]=4 16394 B13R1.1619 CCNCc1c(cccc1OC)Cl 2230a_100015525214_100012349678 [0,2,0,0,0,0|2,0,0]=4 16395 B13R1.1619 CCNCc1c(cccc1OC)Cl 270004a_100015525214_100000757644 [0,2,0,0,0,0|2,0,0]=4 16396 B13R1.1619 CCOCc1c(cccc1C#N)Cl 34a_100121572206_100010254528 [0,2,0,0,0,0|2,0,0]=4 16397 B13R1.1619 CCOCc1c(cccc1OC)Cl 34a_100121572206_100012349678 [0,2,0,0,0,0|2,0,0]=4 16398 B13R1.1619 CCSCc1c(cccc1C#N)Cl 62a_100000210202_100010254528 [0,2,0,0,0,0|2,0,0]=4 16399 B13R1.1619 CCSCc1c(cccc1OC)Cl 62a_100000210202_100012349678 [0,2,0,0,0,0|2,0,0]=4 16400 B13R1.1619 CCSCc1c(cccc1OC)Cl 62a_100012349678_100000210202 [0,2,0,0,0,0|2,0,0]=4 16401 B13R1.1619 COCSc1c(cccc1C#N)Cl 62a_100000766300_100010134094 [0,2,0,0,0,0|2,0,0]=4 16402 B13R1.1619 COc1cccc(c1NCSC)Cl 34a_100011309317_100011218213 [0,2,0,0,0,0|2,0,0]=4 16403 B13R1.1619 COc1cccc(c1OCSC)Cl 34a_100009851661_100011218213 [0,2,0,0,0,0|2,0,0]=4 16404 B13R1.1619 CSCNc1c(cccc1CO)Cl 34a_100012182729_100011218213 [0,2,0,0,0,0|2,0,0]=4 16405 B13R1.1619 CSCOc1c(cccc1C#N)Cl 34a_100009866432_100011218213 [0,2,0,0,0,0|2,0,0]=4 16406 B13R1.1619 CSCSc1c(cccc1C#N)Cl 62a_100011218213_100010134094 [0,2,0,0,0,0|2,0,0]=4 16407 B13R1.157 CC(C)(C)CNc1ccccc1Cl 34a_100000185783_100011219605 [0,2,0,0,0,0|2,0,0]=4 16408 B13R1.157 CC(C)(C)COc1ccccc1Cl 34a_100000210172_100011219605 [0,2,0,0,0,0|2,0,0]=4 16409 B13R1.157 CC(C)(C)CSc1ccccc1Cl 62a_100000764095_100011219605 [0,2,0,0,0,0|2,0,0]=4 16410 B13R1.157 CC(C)(C)CSc1ccccc1Cl 62a_100011219605_100000764095 [0,2,0,0,0,0|2,0,0]=4 16411 B13R1.157 CC(C)(C)NCc1ccccc1Cl 207a_100000715429_100000210073 [0,2,0,0,0,0|2,0,0]=4 16412 B13R1.157 CC(C)(C)NCc1ccccc1Cl 2230a_100000715429_100000187162 [0,2,0,0,0,0|2,0,0]=4 16413 B13R1.157 CC(C)(C)NCc1ccccc1Cl 34a_100000174879_100000210625 [0,2,0,0,0,0|2,0,0]=4 16414 B13R1.157 CC(C)(C)OCc1ccccc1Cl 34a_100000210847_100000210625 [0,2,0,0,0,0|2,0,0]=4 16415 B13R1.157 CC(C)(C)OCc1ccccc1Cl 34a_100015890283_100000187162 [0,2,0,0,0,0|2,0,0]=4 16416 B13R1.157 CC(C)(C)OCc1ccccc1Cl 7a_100015890283_100000187162 [0,2,0,0,0,0|2,0,0]=4 16417 B13R1.157 CC(C)(C)SCc1ccccc1Cl 62a_100000187162_100000211941 [0,2,0,0,0,0|2,0,0]=4 16418 B13R1.157 CC(C)(C)SCc1ccccc1Cl 62a_100000211941_100000187162 [0,2,0,0,0,0|2,0,0]=4 16419 B13R1.157 CC(C)(F)CNc1ccccc1Cl 34a_100000185783_100011997219 [0,2,0,0,0,0|2,0,0]=4 16420 B13R1.157 CC(C)(F)COc1ccccc1Cl 34a_100000210172_100011997219 [0,2,0,0,0,0|2,0,0]=4 16421 B13R1.157 CC(C)(F)CSc1ccccc1Cl 62a_100000764095_100011997219 [0,2,0,0,0,0|2,0,0]=4 16422 B13R1.157 CC(C)(F)CSc1ccccc1Cl 62a_100011997219_100000764095 [0,2,0,0,0,0|2,0,0]=4 16423 B13R1.157 CC(C)(O)CNc1ccccc1Cl 34a_100000185783_100000764493 [0,2,0,0,0,0|2,0,0]=4 16424 B13R1.157 CC(C)(O)COc1ccccc1Cl 34a_100000210172_100000764493 [0,2,0,0,0,0|2,0,0]=4 16425 B13R1.157 CC(C)(O)COc1ccccc1Cl 7a_100000210172_100000764493 [0,2,0,0,0,0|2,0,0]=4 16426 B13R1.157 CC(C)(O)CSc1ccccc1Cl 62a_100000764095_100000764493 [0,2,0,0,0,0|2,0,0]=4 16427 B13R1.157 CC(C)(O)CSc1ccccc1Cl 62a_100000764493_100000764095 [0,2,0,0,0,0|2,0,0]=4 16428 B13R1.157 CS(=O)(=O)NCc1ccccc1Cl 40a_100000174879_100000738038 [0,2,0,0,0,0|2,0,0]=4 16429 B13R1.157 C[N+](C)(C)CSc1ccccc1Cl 62a_100000764095_200000036245 [0,2,0,0,0,0|1,0,1]=4 16430 B13R1.157 C[N+](C)(C)CSc1ccccc1Cl 62a_200000036245_100000764095 [0,2,0,0,0,0|1,0,1]=4 16431 B13R1.157 C[Si](C)(C)COc1ccccc1Cl 7a_100000210172_100000233785 [0,2,0,0,0,0|2,0,0]=4 16432 B13R1.157 C[Si](C)(C)CSc1ccccc1Cl 62a_100000037933_100000764095 [0,2,0,0,0,0|2,0,0]=4 16433 B13R1.157 C[Si](C)(C)CSc1ccccc1Cl 62a_100000764095_100000037933 [0,2,0,0,0,0|2,0,0]=4 16434 B13R1.201 C=C(C)CC(=O)c1ccccc1Cl 1458a_100000185844_100000748629 [0,2,0,0,0,0|1,0,1]=4 16435 B13R1.201 C=C(C)CN(C)c1ccccc1Cl 2230a_100000219374_100000748629 [0,2,0,0,0,0|2,0,0]=4 16436 B13R1.201 C=C(C)CN(C)c1ccccc1Cl 269982a_100000219374_100000748629 [0,2,0,0,0,0|2,0,0]=4 16437 B13R1.201 C=C(C)CN(C)c1ccccc1Cl 34a_100000219374_100000748629 [0,2,0,0,0,0|2,0,0]=4 16438 B13R1.201 CC(=O)CC(=O)c1ccccc1Cl 1458a_100000070787_100000211432 [0,2,0,0,0,0|1,0,1]=4 16439 B13R1.201 CC(=O)CC(C)c1ccccc1Br 1458a_100000743458_200000210301 [0,2,0,0,0,0|1,1,0]=4 16440 B13R1.201 CC(=O)CC(C)c1ccccc1Cl 1458a_100012184337_200000210301 [0,2,0,0,0,0|1,0,0]=3 16441 B13R1.201 CC(=O)NC(C)c1ccccc1Cl 11a_100000174978_100015343762 [0,2,0,0,0,0|2,0,0]=4 16442 B13R1.201 CC(=O)NC(C)c1ccccc1Cl 1626a_100000174978_100015343762 [0,2,0,0,0,0|2,0,0]=4 16443 B13R1.201 CC(=O)NC(C)c1ccccc1Cl 240690a_100000174978_100015343762 [0,2,0,0,0,0|2,0,0]=4 16444 B13R1.201 CC(=O)NC(C)c1ccccc1Cl 527a_100000174978_100103153847 [0,2,0,0,0,0|2,0,0]=4 16445 B13R1.201 CC(C)CC(=O)c1ccccc1Cl 1458a_100000185844_100000210624 [0,2,0,0,0,0|1,0,1]=4 16446 B13R1.201 CC(C)CN(C)c1ccccc1Cl 2230a_100000219374_100000210760 [0,2,0,0,0,0|2,0,0]=4 16447 B13R1.201 CC(C)CN(C)c1ccccc1Cl 2230a_100011231759_200000210301 [0,2,0,0,0,0|2,0,0]=4 16448 B13R1.201 CC(C)CN(C)c1ccccc1Cl 269982a_100000219374_100000210624 [0,2,0,0,0,0|2,0,0]=4 16449 B13R1.201 CC(C)CN(C)c1ccccc1Cl 269982a_100011231759_200000210301 [0,2,0,0,0,0|2,0,0]=4 16450 B13R1.201 CC(C)CN(C)c1ccccc1Cl 34a_100000219374_100000210624 [0,2,0,0,0,0|2,0,0]=4 16451 B13R1.201 CC(C)CN(C)c1ccccc1Cl 34a_100011231759_200000210301 [0,2,0,0,0,0|2,0,0]=4 16452 B13R1.201 CC(C)CN([13CH3])c1ccccc1Cl 2230a_100011231759_200025704644 [0,2,0,0,0,0|2,0,0]=4 16453 B13R1.201 CC(C)CN([13CH3])c1ccccc1Cl 269982a_100011231759_200025704644 [0,2,0,0,0,0|2,0,0]=4 16454 B13R1.201 CC(C)CN([13CH3])c1ccccc1Cl 34a_100011231759_200025704644 [0,2,0,0,0,0|2,0,0]=4 16455 B13R1.201 CC(C)C[C@H](N)c1ccccc1Br 271570a_100015190218_100000695589 [0,2,0,0,0,0|1,1,0]=4 16456 B13R1.201 CC(C)C[C@H](N)c1ccccc1Cl 271570a_100015190218_100000764095 [0,2,0,0,0,0|1,0,0]=3 16457 B13R1.201 CC(C)C[C@H](N)c1ccccc1F 271570a_100015190218_100011215700 [0,2,0,0,0,0|1,1,0]=4 16458 B13R1.201 CC(C)C[C@H](N)c1ccccc1N 271570a_100015190218_100000210017 [0,2,0,0,0,0|2,0,0]=4 16459 B13R1.201 CC(C)C[C@H](N)c1ccccc1O 271570a_100015190218_100000739446 [0,2,0,0,0,0|2,0,0]=4 16460 B13R1.201 CC(C)C[C@H](N)c1cccnc1Cl 271570a_100015190218_100000036424 [0,2,0,0,0,0|2,0,0]=4 16461 B13R1.201 CC(C)C[C@H](N)c1ccncc1Cl 271570a_100015190218_100000708259 [0,2,0,0,0,0|2,0,0]=4 16462 B13R1.201 CC(C)C[C@H](N)c1cnccc1Cl 271570a_100015190218_100009995489 [0,2,0,0,0,0|2,0,0]=4 16463 B13R1.201 CC(C)C[C@H](N)c1ncccc1Cl 271570a_100015190218_100011356963 [0,2,0,0,0,0|2,0,0]=4 16464 B13R1.201 CC(C)NC(C)c1ccccc1Cl 2230a_100000174978_100000210206 [0,2,0,0,0,0|2,0,0]=4 16465 B13R1.201 CC(C)NC(C)c1ccccc1Cl 2230a_100138425928_100000181259 [0,2,0,0,0,0|2,0,0]=4 16466 B13R1.201 CC(C)NC(C)c1ccccc1Cl 34a_100000174978_100000210206 [0,2,0,0,0,0|2,0,0]=4 16467 B13R1.201 CC(C)OC(C)c1ccccc1Cl 34a_100000740796_100000210206 [0,2,0,0,0,0|2,0,0]=4 16468 B13R1.201 CC(C)OC(C)c1ccccc1Cl 7a_100000740796_100000210206 [0,2,0,0,0,0|2,0,0]=4 16469 B13R1.201 CC(C)SC(C)c1ccccc1Cl 62a_100000181259_100000210206 [0,2,0,0,0,0|2,0,0]=4 16470 B13R1.201 CC(C)SC(C)c1ccccc1Cl 62a_100000210206_100000181259 [0,2,0,0,0,0|2,0,0]=4 16471 B13R1.201 CC(CC(=O)[13CH3])c1ccccc1Br 1458a_100000743458_200025704644 [0,2,0,0,0,0|1,1,0]=4 16472 B13R1.201 CC(CC(=O)[13CH3])c1ccccc1Cl 1458a_100012184337_200025704644 [0,2,0,0,0,0|1,0,0]=3 16473 B13R1.201 CC(O)CC(=O)c1ccccc1Cl 1458a_100000185844_100011218427 [0,2,0,0,0,0|1,0,1]=4 16474 B13R1.201 CC(O)CN(C)c1ccccc1Cl 2230a_100000219374_100011218427 [0,2,0,0,0,0|2,0,0]=4 16475 B13R1.201 CC(O)CN(C)c1ccccc1Cl 269982a_100000219374_100011218427 [0,2,0,0,0,0|2,0,0]=4 16476 B13R1.201 CC(O)CN(C)c1ccccc1Cl 34a_100000219374_100011218427 [0,2,0,0,0,0|2,0,0]=4 16477 B13R1.201 CN(C)CC(=O)c1ccccc1Br 269982a_100102631434_100000199116 [0,2,0,0,0,0|0,1,1]=4 16478 B13R1.201 CN(C)CC(=O)c1ccccc1Cl 269982a_100102631434_100000211432 [0,2,0,0,0,0|0,0,1]=3 16479 B13R1.201 CN(C)CC(=O)c1ccccc1F 269982a_100102631434_100000204681 [0,2,0,0,0,0|0,1,1]=4 16480 B13R1.201 CN(C)CC(=O)c1ccccc1O 269982a_100102631434_100000188908 [0,2,0,0,0,0|1,0,1]=4 16481 B13R1.201 C[C@@H](O)CN(C)c1ccccc1Cl 2230a_100000219374_100009817552 [0,2,0,0,0,0|2,0,0]=4 16482 B13R1.201 C[C@@H](O)CN(C)c1ccccc1Cl 269982a_100000219374_100009817552 [0,2,0,0,0,0|2,0,0]=4 16483 B13R1.201 C[C@@H](O)CN(C)c1ccccc1Cl 34a_100000219374_100009817552 [0,2,0,0,0,0|2,0,0]=4 16484 B13R1.201 Cc1ccccc1C(=O)CN(C)C 2230a_100102631434_100000741374 [0,2,0,0,0,0|1,0,1]=4 16485 B13R1.201 Cc1ccccc1C(=O)CN(C)C 269982a_100102631434_100000741374 [0,2,0,0,0,0|1,0,1]=4 16486 B13R1.201 Cc1ccccc1[C@@H](N)CC(C)C 271570a_100015190218_100000210755 [0,2,0,0,0,0|2,0,0]=4 16487 B13R1.202 C=C(C)C(=O)Cc1ccccc1Cl 1458a_100000185857_100000187162 [0,2,0,0,0,0|1,0,1]=4 16488 B13R1.202 CC(=O)C(C)Oc1ccccc1Cl 1458a_100000191201_200000210301 [0,2,0,0,0,0|2,0,0]=4 16489 B13R1.202 CC(=O)C(C)Oc1ccccc1Cl 7a_100000210172_100000179758 [0,2,0,0,0,0|2,0,0]=4 16490 B13R1.202 CC(=O)C(C)Sc1ccccc1Cl 1458a_100000181065_200000210301 [0,2,0,0,0,0|2,0,0]=4 16491 B13R1.202 CC(=O)C(C)Sc1ccccc1Cl 62a_100000764095_100009814033 [0,2,0,0,0,0|2,0,0]=4 16492 B13R1.202 CC(=O)C(C)Sc1ccccc1Cl 62a_100009814033_100000764095 [0,2,0,0,0,0|2,0,0]=4 16493 B13R1.202 CC(=O)C(O)Cc1ccccc1Br 1458a_100012382637_200000210301 [0,2,0,0,0,0|1,1,0]=4 16494 B13R1.202 CC(=O)C(O)Cc1ccccc1Cl 1458a_100000703902_200000210301 [0,2,0,0,0,0|1,0,0]=3 16495 B13R1.202 CC(=O)N(C)Cc1ccccc1Cl 11a_100000184507_100015343762 [0,2,0,0,0,0|2,0,0]=4 16496 B13R1.202 CC(=O)N(C)Cc1ccccc1Cl 1626a_100000184507_100015343762 [0,2,0,0,0,0|2,0,0]=4 16497 B13R1.202 CC(=O)N(C)Cc1ccccc1Cl 240690a_100000184507_100015343762 [0,2,0,0,0,0|2,0,0]=4 16498 B13R1.202 CC(=O)N(C)Cc1ccccc1Cl 527a_100000184507_100103153847 [0,2,0,0,0,0|2,0,0]=4 16499 B13R1.202 CC(C)C(=O)Cc1ccccc1Cl 1458a_100000183793_100000210206 [0,2,0,0,0,0|1,0,1]=4 16500 B13R1.202 CC(C)C(=O)Cc1ccccc1Cl 1458a_100000210198_100000187162 [0,2,0,0,0,0|1,0,1]=4 16501 B13R1.202 CC(C)N(C)Cc1ccccc1Cl 2230a_100000184507_100000210206 [0,2,0,0,0,0|2,0,0]=4 16502 B13R1.202 CC(C)N(C)Cc1ccccc1Cl 2230a_100015185289_200000210301 [0,2,0,0,0,0|2,0,0]=4 16503 B13R1.202 CC(C)N(C)Cc1ccccc1Cl 269982a_100000184507_100000210206 [0,2,0,0,0,0|2,0,0]=4 16504 B13R1.202 CC(C)N(C)Cc1ccccc1Cl 269982a_100015185289_200000210301 [0,2,0,0,0,0|2,0,0]=4 16505 B13R1.202 CC(C)N(C)Cc1ccccc1Cl 269982a_200000211004_100000187162 [0,2,0,0,0,0|2,0,0]=4 16506 B13R1.202 CC(C)N(C)Cc1ccccc1Cl 270004a_200000211004_100000210073 [0,2,0,0,0,0|2,0,0]=4 16507 B13R1.202 CC(C)N(C)Cc1ccccc1Cl 34a_100015185289_200000210301 [0,2,0,0,0,0|2,0,0]=4 16508 B13R1.202 CC(C)N([13CH3])Cc1ccccc1Cl 2230a_100015185289_200025704644 [0,2,0,0,0,0|2,0,0]=4 16509 B13R1.202 CC(C)N([13CH3])Cc1ccccc1Cl 269982a_100015185289_200025704644 [0,2,0,0,0,0|2,0,0]=4 16510 B13R1.202 CC(C)N([13CH3])Cc1ccccc1Cl 34a_100015185289_200025704644 [0,2,0,0,0,0|2,0,0]=4 16511 B13R1.202 CC(Cc1ccccc1Br)N(C)C 270004a_100102631434_100011350739 [0,2,0,0,0,0|0,1,0]=3 16512 B13R1.202 CC(Cc1ccccc1Cl)N(C)C 270004a_100102631434_100000758791 [0,2,0,0,0,0|0,0,0]=2 16513 B13R1.202 CC(Cc1ccccc1F)N(C)C 270004a_100102631434_100000709178 [0,2,0,0,0,0|0,1,0]=3 16514 B13R1.202 CC(F)C(=O)Cc1ccccc1Cl 1458a_100000062450_100000187162 [0,2,0,0,0,0|1,0,1]=4 16515 B13R1.202 CC(Oc1ccccc1Cl)C(=O)[13CH3] 1458a_100000191201_200025704644 [0,2,0,0,0,0|2,0,0]=4 16516 B13R1.202 CC(Sc1ccccc1Cl)C(=O)[13CH3] 1458a_100000181065_200025704644 [0,2,0,0,0,0|2,0,0]=4 16517 B13R1.202 CN(C)C(=O)Cc1ccccc1Br 11a_100102631434_100000751119 [0,2,0,0,0,0|0,1,1]=4 16518 B13R1.202 CN(C)C(=O)Cc1ccccc1Br 240690a_100102631434_100000751119 [0,2,0,0,0,0|0,1,1]=4 16519 B13R1.202 CN(C)C(=O)Cc1ccccc1Br 527a_100102631434_100000751119 [0,2,0,0,0,0|0,1,1]=4 16520 B13R1.202 CN(C)C(=O)Cc1ccccc1Cl 11a_100102631434_100000183793 [0,2,0,0,0,0|0,0,1]=3 16521 B13R1.202 CN(C)C(=O)Cc1ccccc1Cl 1626a_100102631434_100000183793 [0,2,0,0,0,0|0,0,1]=3 16522 B13R1.202 CN(C)C(=O)Cc1ccccc1Cl 240690a_100102631434_100000183793 [0,2,0,0,0,0|0,0,1]=3 16523 B13R1.202 CN(C)C(=O)Cc1ccccc1Cl 527a_100102631434_100000183793 [0,2,0,0,0,0|0,0,1]=3 16524 B13R1.202 CN(C)C(=O)Cc1ccccc1F 11a_100102631434_100000212012 [0,2,0,0,0,0|0,1,1]=4 16525 B13R1.202 CN(C)C(=O)Cc1ccccc1F 1626a_100102631434_100000212012 [0,2,0,0,0,0|0,1,1]=4 16526 B13R1.202 CN(C)C(=O)Cc1ccccc1F 240690a_100102631434_100000212012 [0,2,0,0,0,0|0,1,1]=4 16527 B13R1.202 CN(C)C(=O)Cc1ccccc1F 527a_100102631434_100000212012 [0,2,0,0,0,0|0,1,1]=4 16528 B13R1.202 CN(C)C(=O)Cc1ccccc1I 11a_100102631434_100000036491 [0,2,0,0,0,0|0,1,1]=4 16529 B13R1.202 CN(C)C(=O)Cc1ccccc1I 1626a_100102631434_100000036491 [0,2,0,0,0,0|0,1,1]=4 16530 B13R1.202 CN(C)C(=O)Cc1ccccc1I 240690a_100102631434_100000036491 [0,2,0,0,0,0|0,1,1]=4 16531 B13R1.202 CN(C)C(=O)Cc1ccccc1I 527a_100102631434_100000036491 [0,2,0,0,0,0|0,1,1]=4 16532 B13R1.202 CN(C)C(=O)Cc1ccccc1O 240690a_100102631434_100000743006 [0,2,0,0,0,0|1,0,1]=4 16533 B13R1.202 CN(C)C(=O)Cc1ccccc1O 271570a_203496583355_200009816159 [0,2,0,0,0,0|1,0,1]=4 16534 B13R1.202 CN(C)C(=O)Cc1ccccc1O 527a_100102631434_100000743006 [0,2,0,0,0,0|1,0,1]=4 16535 B13R1.202 CN(C)C(=O)Cc1cccnc1Cl 11a_100102631434_100000093521 [0,2,0,0,0,0|1,0,1]=4 16536 B13R1.202 CN(C)C(=O)Cc1cccnc1Cl 1626a_100102631434_100000093521 [0,2,0,0,0,0|1,0,1]=4 16537 B13R1.202 CN(C)C(=O)Cc1cccnc1Cl 240690a_100102631434_100000093521 [0,2,0,0,0,0|1,0,1]=4 16538 B13R1.202 CN(C)C(=O)Cc1cccnc1Cl 527a_100102631434_100000093521 [0,2,0,0,0,0|1,0,1]=4 16539 B13R1.202 CN(C)C(=O)Cc1ncccc1Cl 11a_100102631434_100011998755 [0,2,0,0,0,0|1,0,1]=4 16540 B13R1.202 CN(C)C(=O)Cc1ncccc1Cl 240690a_100102631434_100011998755 [0,2,0,0,0,0|1,0,1]=4 16541 B13R1.202 CN(C)C(=O)Cc1ncccc1Cl 527a_100102631434_100011998755 [0,2,0,0,0,0|1,0,1]=4 16542 B13R1.202 CN(C)C(=O)Nc1ccccc1Cl 2430a_100000185783_100102631434 [0,2,0,0,0,0|1,0,1]=4 16543 B13R1.202 C[C@@H](O)C(=O)Cc1ccccc1Cl 1458a_100000717761_100000187162 [0,2,0,0,0,0|1,0,1]=4 16544 B13R1.202 C[C@H](O)C(=O)Cc1ccccc1Cl 1458a_217856618621_100000187162 [0,2,0,0,0,0|1,0,1]=4 16545 B13R1.202 Cc1ccccc1CC(=O)N(C)C 11a_100102631434_100000212180 [0,2,0,0,0,0|1,0,1]=4 16546 B13R1.202 Cc1ccccc1CC(=O)N(C)C 1626a_100102631434_100000212180 [0,2,0,0,0,0|1,0,1]=4 16547 B13R1.202 Cc1ccccc1CC(=O)N(C)C 240690a_100102631434_100000212180 [0,2,0,0,0,0|1,0,1]=4 16548 B13R1.202 Cc1ccccc1CC(=O)N(C)C 527a_100102631434_100000212180 [0,2,0,0,0,0|1,0,1]=4 16549 B13R1.202 Cc1ccccc1CC(C)N(C)C 270004a_100102631434_200000764500 [0,2,0,0,0,0|1,0,0]=3 16550 B13R1.202 Cc1cccnc1CC(C)N(C)C 270004a_100102631434_100011823981 [0,2,0,0,0,0|2,0,0]=4 16551 B13R1.202 [13CH3]C(=O)C(O)Cc1ccccc1Br 1458a_100012382637_200025704644 [0,2,0,0,0,0|1,1,0]=4 16552 B13R1.202 [13CH3]C(=O)C(O)Cc1ccccc1Cl 1458a_100000703902_200025704644 [0,2,0,0,0,0|1,0,0]=3 16553 B13R1.528 C#CC(=O)CCc1ccccc1Cl 1458a_100000211873_100011713703 [0,2,0,0,0,0|1,0,1]=4 16554 B13R1.528 C#CC(C)NCc1ccccc1Cl 2230a_100000707721_100000187162 [0,2,0,0,0,0|1,0,1]=4 16555 B13R1.528 C#CC(C)NCc1ccccc1Cl 270004a_100000707721_100000210073 [0,2,0,0,0,0|1,0,1]=4 16556 B13R1.528 C#CC(C)NCc1ccccc1Cl 34a_100000174879_200000035995 [0,2,0,0,0,0|1,0,1]=4 16557 B13R1.528 C#CC(C)NCc1ccccc1Cl 34a_100000707721_100000187162 [0,2,0,0,0,0|1,0,1]=4 16558 B13R1.528 C#CC(C)OCc1ccccc1Cl 34a_100000210847_200000035995 [0,2,0,0,0,0|1,0,1]=4 16559 B13R1.528 C#CC(C)SCc1ccccc1Cl 62a_200000035995_100000187162 [0,2,0,0,0,0|1,0,1]=4 16560 B13R1.528 C#C[C@@H](C)OCc1ccccc1Cl 34a_100009815206_100000187162 [0,2,0,0,0,0|1,0,1]=4 16561 B13R1.528 C#C[C@@H](C)OCc1ccccc1Cl 7a_100009815206_100000187162 [0,2,0,0,0,0|1,0,1]=4 16562 B13R1.528 C=CC(=O)CCc1ccccc1Cl 1458a_100000185746_100011713703 [0,2,0,0,0,0|1,0,1]=4 16563 B13R1.528 C=CC(C)OCc1ccccc1Cl 34a_100000695699_100000187162 [0,2,0,0,0,0|1,0,1]=4 16564 B13R1.528 C=CC(C)SCc1ccccc1Cl 62a_100011215867_100000187162 [0,2,0,0,0,0|1,0,1]=4 16565 B13R1.528 C=CC(O)CNc1ccccc1Cl 34a_100000185783_100000730141 [0,2,0,0,0,0|1,0,1]=4 16566 B13R1.528 C=CC(O)COc1ccccc1Cl 34a_100000210172_100000730141 [0,2,0,0,0,0|1,0,1]=4 16567 B13R1.528 C=CC(O)COc1ccccc1Cl 7a_100000210172_100000730141 [0,2,0,0,0,0|1,0,1]=4 16568 B13R1.528 C=CC(O)CSc1ccccc1Cl 62a_100000730141_100000764095 [0,2,0,0,0,0|1,0,1]=4 16569 B13R1.528 C=CC(O)CSc1ccccc1Cl 62a_100000764095_100000730141 [0,2,0,0,0,0|1,0,1]=4 16570 B13R1.528 CC(C#N)NCc1ccccc1Cl 2230a_100000174879_100000184139 [0,2,0,0,0,0|2,0,0]=4 16571 B13R1.528 CC(C#N)NCc1ccccc1Cl 2230a_100000737613_100000187162 [0,2,0,0,0,0|2,0,0]=4 16572 B13R1.528 CC(C#N)OCc1ccccc1Cl 34a_100011218135_100000187162 [0,2,0,0,0,0|2,0,0]=4 16573 B13R1.528 CC(C#N)OCc1ccccc1Cl 7a_100000210847_100000703298 [0,2,0,0,0,0|2,0,0]=4 16574 B13R1.528 CC(C#N)SCc1ccccc1Cl 62a_100000187162_100000703298 [0,2,0,0,0,0|2,0,0]=4 16575 B13R1.528 CC(C#N)SCc1ccccc1Cl 62a_100000703298_100000187162 [0,2,0,0,0,0|2,0,0]=4 16576 B13R1.528 CC(CF)OCc1ccccc1Cl 34a_100016041109_100000187162 [0,2,0,0,0,0|2,0,0]=4 16577 B13R1.528 CC(CF)OCc1ccccc1Cl 7a_100016041109_100000187162 [0,2,0,0,0,0|2,0,0]=4 16578 B13R1.528 CC(CN)OCc1ccccc1Cl 34a_100000210904_100000187162 [0,2,0,0,0,0|2,0,0]=4 16579 B13R1.528 CC(CO)NCc1ccccc1Cl 2230a_100000174879_100012180447 [0,2,0,0,0,0|2,0,0]=4 16580 B13R1.528 CC(CO)NCc1ccccc1Cl 34a_100000174879_100012180447 [0,2,0,0,0,0|2,0,0]=4 16581 B13R1.528 CC(CO)OCc1ccccc1Cl 34a_100000210847_100012180447 [0,2,0,0,0,0|2,0,0]=4 16582 B13R1.528 CC(CO)OCc1ccccc1Cl 7a_100000210847_100012180447 [0,2,0,0,0,0|2,0,0]=4 16583 B13R1.528 CC(CO)SCc1ccccc1Cl 62a_100012180447_100000187162 [0,2,0,0,0,0|2,0,0]=4 16584 B13R1.528 CCC(=O)CCc1ccccc1Br 1458a_100000210414_100012161201 [0,2,0,0,0,0|1,1,0]=4 16585 B13R1.528 CCC(=O)CCc1ccccc1Br 1458a_100000740810_100000210202 [0,2,0,0,0,0|1,1,0]=4 16586 B13R1.528 CCC(=O)CCc1ccccc1C 1458a_100000210414_100011713688 [0,2,0,0,0,0|2,0,0]=4 16587 B13R1.528 CCC(=O)CCc1ccccc1C 1458a_100000748742_100000210202 [0,2,0,0,0,0|2,0,0]=4 16588 B13R1.528 CCC(=O)CCc1ccccc1Cl 1458a_100000184300_100000210202 [0,2,0,0,0,0|1,0,0]=3 16589 B13R1.528 CCC(=O)CCc1ccccc1Cl 1458a_100000210414_100011713703 [0,2,0,0,0,0|1,0,0]=3 16590 B13R1.528 CCC(=O)CCc1ccccc1F 1458a_100000189703_100000210202 [0,2,0,0,0,0|1,1,0]=4 16591 B13R1.528 CCC(=O)CCc1ccccc1F 1458a_100000210414_100000720011 [0,2,0,0,0,0|1,1,0]=4 16592 B13R1.528 CCC(=O)CCc1ccccc1I 1458a_100000037306_100000210202 [0,2,0,0,0,0|1,1,0]=4 16593 B13R1.528 CCC(=O)CCc1ccccc1O 1458a_100000181328_100000210202 [0,2,0,0,0,0|2,0,0]=4 16594 B13R1.528 CCC(=O)CCc1ccccc1O 1458a_100000210414_100000722297 [0,2,0,0,0,0|2,0,0]=4 16595 B13R1.528 CCC(=O)COc1ccccc1Cl 1458a_100000185159_100000210202 [0,2,0,0,0,0|1,0,1]=4 16596 B13R1.528 CCC(=O)COc1ccccc1Cl 7a_100000210172_100000747405 [0,2,0,0,0,0|1,0,1]=4 16597 B13R1.528 CCC(=O)CSc1ccccc1Cl 62a_100000747405_100000764095 [0,2,0,0,0,0|1,0,1]=4 16598 B13R1.528 CCC(=O)CSc1ccccc1Cl 62a_100000764095_100000747405 [0,2,0,0,0,0|1,0,1]=4 16599 B13R1.528 CCC(=O)NCc1ccccc1Cl 11a_100000174879_100000210414 [0,2,0,0,0,0|1,0,1]=4 16600 B13R1.528 CCC(=O)NCc1ccccc1Cl 1626a_100000174879_100000210414 [0,2,0,0,0,0|1,0,1]=4 16601 B13R1.528 CCC(=O)NCc1ccccc1Cl 240690a_100000174879_100000210414 [0,2,0,0,0,0|1,0,1]=4 16602 B13R1.528 CCC(=O)NCc1ccccc1Cl 527a_100000174879_100000210414 [0,2,0,0,0,0|1,0,1]=4 16603 B13R1.528 CCC(C)CNc1ccccc1Br 34a_100000210017_100000748023 [0,2,0,0,0,0|1,1,0]=4 16604 B13R1.528 CCC(C)CNc1ccccc1C 34a_100015192222_100000748023 [0,2,0,0,0,0|2,0,0]=4 16605 B13R1.528 CCC(C)CNc1ccccc1Cl 34a_100000185783_100000748023 [0,2,0,0,0,0|1,0,0]=3 16606 B13R1.528 CCC(C)CNc1ccccc1F 34a_100000210422_100000748023 [0,2,0,0,0,0|1,1,0]=4 16607 B13R1.528 CCC(C)CNc1ccccc1I 34a_100000210053_100000748023 [0,2,0,0,0,0|1,1,0]=4 16608 B13R1.528 CCC(C)CNc1ccccc1O 34a_100000185747_100000748023 [0,2,0,0,0,0|2,0,0]=4 16609 B13R1.528 CCC(C)COc1ccccc1Br 34a_100000181306_100000748023 [0,2,0,0,0,0|1,1,0]=4 16610 B13R1.528 CCC(C)COc1ccccc1Br 7a_100000181306_100000748023 [0,2,0,0,0,0|1,1,0]=4 16611 B13R1.528 CCC(C)COc1ccccc1C 34a_100000210338_100000748023 [0,2,0,0,0,0|2,0,0]=4 16612 B13R1.528 CCC(C)COc1ccccc1C 7a_100000210338_100000748023 [0,2,0,0,0,0|2,0,0]=4 16613 B13R1.528 CCC(C)COc1ccccc1Cl 34a_100000210172_100000748023 [0,2,0,0,0,0|1,0,0]=3 16614 B13R1.528 CCC(C)COc1ccccc1Cl 7a_100000210172_100000748023 [0,2,0,0,0,0|1,0,0]=3 16615 B13R1.528 CCC(C)COc1ccccc1F 34a_100000210171_100000748023 [0,2,0,0,0,0|1,1,0]=4 16616 B13R1.528 CCC(C)COc1ccccc1F 7a_100000210171_100000748023 [0,2,0,0,0,0|1,1,0]=4 16617 B13R1.528 CCC(C)COc1ccccc1I 34a_100000739446_100000748023 [0,2,0,0,0,0|1,1,0]=4 16618 B13R1.528 CCC(C)COc1ccccc1I 7a_100000739446_100000748023 [0,2,0,0,0,0|1,1,0]=4 16619 B13R1.528 CCC(C)COc1ccccc1N 34a_100000185747_100000748023 [0,2,0,0,0,0|2,0,0]=4 16620 B13R1.528 CCC(C)COc1ccccc1N 7a_100000185747_100000748023 [0,2,0,0,0,0|2,0,0]=4 16621 B13R1.528 CCC(C)COc1cccnc1Cl 34a_100000757616_100000748023 [0,2,0,0,0,0|2,0,0]=4 16622 B13R1.528 CCC(C)COc1cccnc1Cl 7a_100000757616_100000748023 [0,2,0,0,0,0|2,0,0]=4 16623 B13R1.528 CCC(C)COc1ccncc1Cl 34a_100011997054_100000748023 [0,2,0,0,0,0|2,0,0]=4 16624 B13R1.528 CCC(C)COc1cnccc1Cl 34a_100011996695_100000748023 [0,2,0,0,0,0|2,0,0]=4 16625 B13R1.528 CCC(C)COc1ncccc1Cl 34a_100011290957_100000748023 [0,2,0,0,0,0|2,0,0]=4 16626 B13R1.528 CCC(C)CSc1ccccc1Br 62a_100000695589_100000748023 [0,2,0,0,0,0|1,1,0]=4 16627 B13R1.528 CCC(C)CSc1ccccc1Br 62a_100000748023_100000695589 [0,2,0,0,0,0|1,1,0]=4 16628 B13R1.528 CCC(C)CSc1ccccc1C 62a_100000210755_100000748023 [0,2,0,0,0,0|2,0,0]=4 16629 B13R1.528 CCC(C)CSc1ccccc1C 62a_100000748023_100000210755 [0,2,0,0,0,0|2,0,0]=4 16630 B13R1.528 CCC(C)CSc1ccccc1Cl 62a_100000748023_100000764095 [0,2,0,0,0,0|1,0,0]=3 16631 B13R1.528 CCC(C)CSc1ccccc1Cl 62a_100000764095_100000748023 [0,2,0,0,0,0|1,0,0]=3 16632 B13R1.528 CCC(C)CSc1ccccc1F 62a_100000748023_100011215700 [0,2,0,0,0,0|1,1,0]=4 16633 B13R1.528 CCC(C)CSc1ccccc1F 62a_100011215700_100000748023 [0,2,0,0,0,0|1,1,0]=4 16634 B13R1.528 CCC(C)CSc1ccccc1N 62a_100000210017_100000748023 [0,2,0,0,0,0|2,0,0]=4 16635 B13R1.528 CCC(C)CSc1ccccc1N 62a_100000748023_100000210017 [0,2,0,0,0,0|2,0,0]=4 16636 B13R1.528 CCC(C)CSc1ccccc1O 62a_100000739446_100000748023 [0,2,0,0,0,0|2,0,0]=4 16637 B13R1.528 CCC(C)CSc1ccccc1O 62a_100000748023_100000739446 [0,2,0,0,0,0|2,0,0]=4 16638 B13R1.528 CCC(C)CSc1cccnc1Cl 62a_100000036424_100000748023 [0,2,0,0,0,0|2,0,0]=4 16639 B13R1.528 CCC(C)CSc1cccnc1Cl 62a_100000748023_100000036424 [0,2,0,0,0,0|2,0,0]=4 16640 B13R1.528 CCC(C)CSc1ccncc1Cl 62a_100000708259_100000748023 [0,2,0,0,0,0|2,0,0]=4 16641 B13R1.528 CCC(C)CSc1ccncc1Cl 62a_100000748023_100000708259 [0,2,0,0,0,0|2,0,0]=4 16642 B13R1.528 CCC(C)CSc1cnccc1Cl 62a_100000748023_100009995489 [0,2,0,0,0,0|2,0,0]=4 16643 B13R1.528 CCC(C)CSc1cnccc1Cl 62a_100009995489_100000748023 [0,2,0,0,0,0|2,0,0]=4 16644 B13R1.528 CCC(C)CSc1ncccc1Cl 62a_100000748023_100011356963 [0,2,0,0,0,0|2,0,0]=4 16645 B13R1.528 CCC(C)CSc1ncccc1Cl 62a_100011356963_100000748023 [0,2,0,0,0,0|2,0,0]=4 16646 B13R1.528 CCC(C)NCc1ccccc1Br 207a_100000209981_100000211189 [0,2,0,0,0,0|1,1,0]=4 16647 B13R1.528 CCC(C)NCc1ccccc1Br 2230a_100000209981_100000184730 [0,2,0,0,0,0|1,1,0]=4 16648 B13R1.528 CCC(C)NCc1ccccc1Br 2230a_100000689332_100000758301 [0,2,0,0,0,0|1,1,0]=4 16649 B13R1.528 CCC(C)NCc1ccccc1Br 270004a_100000209981_100000211189 [0,2,0,0,0,0|1,1,0]=4 16650 B13R1.528 CCC(C)NCc1ccccc1Br 34a_100000689332_100011215416 [0,2,0,0,0,0|1,1,0]=4 16651 B13R1.528 CCC(C)NCc1ccccc1C 207a_100000209981_100000211143 [0,2,0,0,0,0|2,0,0]=4 16652 B13R1.528 CCC(C)NCc1ccccc1C 2230a_100000209981_100000211839 [0,2,0,0,0,0|2,0,0]=4 16653 B13R1.528 CCC(C)NCc1ccccc1C 270004a_100000209981_100000211143 [0,2,0,0,0,0|2,0,0]=4 16654 B13R1.528 CCC(C)NCc1ccccc1C 34a_100000174972_100011215416 [0,2,0,0,0,0|2,0,0]=4 16655 B13R1.528 CCC(C)NCc1ccccc1Cl 207a_100000209981_100000210073 [0,2,0,0,0,0|1,0,0]=3 16656 B13R1.528 CCC(C)NCc1ccccc1Cl 2230a_100000174879_100000758301 [0,2,0,0,0,0|1,0,0]=3 16657 B13R1.528 CCC(C)NCc1ccccc1Cl 2230a_100000209981_100000187162 [0,2,0,0,0,0|1,0,0]=3 16658 B13R1.528 CCC(C)NCc1ccccc1Cl 270004a_100000209981_100000210073 [0,2,0,0,0,0|1,0,0]=3 16659 B13R1.528 CCC(C)NCc1ccccc1Cl 34a_100000174879_100011215416 [0,2,0,0,0,0|1,0,0]=3 16660 B13R1.528 CCC(C)NCc1ccccc1F 207a_100000209981_100000210811 [0,2,0,0,0,0|1,1,0]=4 16661 B13R1.528 CCC(C)NCc1ccccc1F 2230a_100000209981_100000211605 [0,2,0,0,0,0|1,1,0]=4 16662 B13R1.528 CCC(C)NCc1ccccc1F 270004a_100000209981_100000210811 [0,2,0,0,0,0|1,1,0]=4 16663 B13R1.528 CCC(C)NCc1ccccc1F 34a_100000174869_100011215416 [0,2,0,0,0,0|1,1,0]=4 16664 B13R1.528 CCC(C)NCc1ccccc1I 207a_100000209981_100000010305 [0,2,0,0,0,0|1,1,0]=4 16665 B13R1.528 CCC(C)NCc1ccccc1I 2230a_100000209981_100011215278 [0,2,0,0,0,0|1,1,0]=4 16666 B13R1.528 CCC(C)NCc1ccccc1I 270004a_100000209981_100000010305 [0,2,0,0,0,0|1,1,0]=4 16667 B13R1.528 CCC(C)NCc1ccccc1O 271570a_203496583355_100015185290 [0,2,0,0,0,0|2,0,0]=4 16668 B13R1.528 CCC(C)NCc1ccccc1O 34a_100000185550_100011215416 [0,2,0,0,0,0|2,0,0]=4 16669 B13R1.528 CCC(C)NCc1cccnc1Cl 2230a_100000209981_100000045678 [0,2,0,0,0,0|2,0,0]=4 16670 B13R1.528 CCC(C)NCc1cccnc1Cl 2230a_100015189234_100000758301 [0,2,0,0,0,0|2,0,0]=4 16671 B13R1.528 CCC(C)NCc1cccnc1Cl 34a_100015189234_100011215416 [0,2,0,0,0,0|2,0,0]=4 16672 B13R1.528 CCC(C)NCc1ccncc1Cl 207a_100000209981_100011934409 [0,2,0,0,0,0|2,0,0]=4 16673 B13R1.528 CCC(C)NCc1ccncc1Cl 2230a_100000209981_100000763264 [0,2,0,0,0,0|2,0,0]=4 16674 B13R1.528 CCC(C)NCc1ccncc1Cl 270004a_100000209981_100011934409 [0,2,0,0,0,0|2,0,0]=4 16675 B13R1.528 CCC(C)NCc1cnccc1Cl 270004a_100000209981_100000050567 [0,2,0,0,0,0|2,0,0]=4 16676 B13R1.528 CCC(C)NCc1ncccc1Cl 207a_100000209981_100012001307 [0,2,0,0,0,0|2,0,0]=4 16677 B13R1.528 CCC(C)NCc1ncccc1Cl 2230a_100000209981_100000099807 [0,2,0,0,0,0|2,0,0]=4 16678 B13R1.528 CCC(C)NCc1ncccc1Cl 2230a_100015189233_100000758301 [0,2,0,0,0,0|2,0,0]=4 16679 B13R1.528 CCC(C)NCc1ncccc1Cl 270004a_100000209981_100012001307 [0,2,0,0,0,0|2,0,0]=4 16680 B13R1.528 CCC(C)OCc1ccccc1Br 34a_100000756307_100011215416 [0,2,0,0,0,0|1,1,0]=4 16681 B13R1.528 CCC(C)OCc1ccccc1Br 7a_100000210228_100000184730 [0,2,0,0,0,0|1,1,0]=4 16682 B13R1.528 CCC(C)OCc1ccccc1Br 7a_100000756307_100000758301 [0,2,0,0,0,0|1,1,0]=4 16683 B13R1.528 CCC(C)OCc1ccccc1C 34a_100000698903_100011215416 [0,2,0,0,0,0|2,0,0]=4 16684 B13R1.528 CCC(C)OCc1ccccc1C 7a_100000210228_100000211839 [0,2,0,0,0,0|2,0,0]=4 16685 B13R1.528 CCC(C)OCc1ccccc1C 7a_100000698903_100000758301 [0,2,0,0,0,0|2,0,0]=4 16686 B13R1.528 CCC(C)OCc1ccccc1Cl 34a_100000210847_100011215416 [0,2,0,0,0,0|1,0,0]=3 16687 B13R1.528 CCC(C)OCc1ccccc1Cl 7a_100000210228_100000187162 [0,2,0,0,0,0|1,0,0]=3 16688 B13R1.528 CCC(C)OCc1ccccc1Cl 7a_100000210847_100000758301 [0,2,0,0,0,0|1,0,0]=3 16689 B13R1.528 CCC(C)OCc1ccccc1F 34a_100000211962_100011215416 [0,2,0,0,0,0|1,1,0]=4 16690 B13R1.528 CCC(C)OCc1ccccc1F 7a_100000210228_100000211605 [0,2,0,0,0,0|1,1,0]=4 16691 B13R1.528 CCC(C)OCc1ccccc1F 7a_100000211962_100000758301 [0,2,0,0,0,0|1,1,0]=4 16692 B13R1.528 CCC(C)OCc1ccccc1I 34a_100000187465_100011215416 [0,2,0,0,0,0|1,1,0]=4 16693 B13R1.528 CCC(C)OCc1ccccc1I 7a_100000187465_100000758301 [0,2,0,0,0,0|1,1,0]=4 16694 B13R1.528 CCC(C)OCc1ccccc1I 7a_100000210228_100011215278 [0,2,0,0,0,0|1,1,0]=4 16695 B13R1.528 CCC(C)OCc1ccccc1N 34a_100000212039_100011215416 [0,2,0,0,0,0|2,0,0]=4 16696 B13R1.528 CCC(C)OCc1cccnc1Cl 34a_100000748726_100011215416 [0,2,0,0,0,0|2,0,0]=4 16697 B13R1.528 CCC(C)OCc1cccnc1Cl 7a_100000210228_100000045678 [0,2,0,0,0,0|2,0,0]=4 16698 B13R1.528 CCC(C)OCc1cccnc1Cl 7a_100000748726_100000758301 [0,2,0,0,0,0|2,0,0]=4 16699 B13R1.528 CCC(C)OCc1ccncc1Cl 7a_100000210228_100000763264 [0,2,0,0,0,0|2,0,0]=4 16700 B13R1.528 CCC(C)OCc1cnccc1Cl 34a_100000117392_100011215416 [0,2,0,0,0,0|2,0,0]=4 16701 B13R1.528 CCC(C)OCc1ncccc1Cl 34a_100012002383_100011215416 [0,2,0,0,0,0|2,0,0]=4 16702 B13R1.528 CCC(C)OCc1ncccc1Cl 7a_100000210228_100000099807 [0,2,0,0,0,0|2,0,0]=4 16703 B13R1.528 CCC(C)SCc1ccccc1Br 62a_100000184730_100000758301 [0,2,0,0,0,0|1,1,0]=4 16704 B13R1.528 CCC(C)SCc1ccccc1Br 62a_100000758301_100000184730 [0,2,0,0,0,0|1,1,0]=4 16705 B13R1.528 CCC(C)SCc1ccccc1C 62a_100000211839_100000758301 [0,2,0,0,0,0|2,0,0]=4 16706 B13R1.528 CCC(C)SCc1ccccc1C 62a_100000758301_100000211839 [0,2,0,0,0,0|2,0,0]=4 16707 B13R1.528 CCC(C)SCc1ccccc1Cl 62a_100000187162_100000758301 [0,2,0,0,0,0|1,0,0]=3 16708 B13R1.528 CCC(C)SCc1ccccc1Cl 62a_100000758301_100000187162 [0,2,0,0,0,0|1,0,0]=3 16709 B13R1.528 CCC(C)SCc1ccccc1F 62a_100000211605_100000758301 [0,2,0,0,0,0|1,1,0]=4 16710 B13R1.528 CCC(C)SCc1ccccc1F 62a_100000758301_100000211605 [0,2,0,0,0,0|1,1,0]=4 16711 B13R1.528 CCC(C)SCc1ccccc1I 62a_100000758301_100011216222 [0,2,0,0,0,0|1,1,0]=4 16712 B13R1.528 CCC(C)SCc1ccccc1I 62a_100011216222_100000758301 [0,2,0,0,0,0|1,1,0]=4 16713 B13R1.528 CCC(C)SCc1cccnc1Cl 62a_100000045678_100000758301 [0,2,0,0,0,0|2,0,0]=4 16714 B13R1.528 CCC(C)SCc1cccnc1Cl 62a_100000758301_100000045678 [0,2,0,0,0,0|2,0,0]=4 16715 B13R1.528 CCC(C)SCc1ccncc1Cl 62a_100000758301_100000763264 [0,2,0,0,0,0|2,0,0]=4 16716 B13R1.528 CCC(C)SCc1ccncc1Cl 62a_100000763264_100000758301 [0,2,0,0,0,0|2,0,0]=4 16717 B13R1.528 CCC(C)SCc1ncccc1Cl 62a_100000099807_100000758301 [0,2,0,0,0,0|2,0,0]=4 16718 B13R1.528 CCC(C)SCc1ncccc1Cl 62a_100000758301_100000099807 [0,2,0,0,0,0|2,0,0]=4 16719 B13R1.528 CCC(O)CNc1ccccc1Br 34a_100000210017_100011218378 [0,2,0,0,0,0|1,1,0]=4 16720 B13R1.528 CCC(O)CNc1ccccc1C 34a_100015192222_100011218378 [0,2,0,0,0,0|2,0,0]=4 16721 B13R1.528 CCC(O)CNc1ccccc1Cl 34a_100000185783_100011218378 [0,2,0,0,0,0|1,0,0]=3 16722 B13R1.528 CCC(O)CNc1ccccc1F 34a_100000210422_100011218378 [0,2,0,0,0,0|1,1,0]=4 16723 B13R1.528 CCC(O)CNc1ccccc1I 34a_100000210053_100011218378 [0,2,0,0,0,0|1,1,0]=4 16724 B13R1.528 CCC(O)CNc1ccccc1O 34a_100000185747_100011218378 [0,2,0,0,0,0|2,0,0]=4 16725 B13R1.528 CCC(O)COc1ccccc1Br 34a_100000181306_100011218378 [0,2,0,0,0,0|1,1,0]=4 16726 B13R1.528 CCC(O)COc1ccccc1Br 7a_100000181306_100011218378 [0,2,0,0,0,0|1,1,0]=4 16727 B13R1.528 CCC(O)COc1ccccc1C 34a_100000210338_100011218378 [0,2,0,0,0,0|2,0,0]=4 16728 B13R1.528 CCC(O)COc1ccccc1C 7a_100000210338_100011218378 [0,2,0,0,0,0|2,0,0]=4 16729 B13R1.528 CCC(O)COc1ccccc1Cl 34a_100000210172_100011218378 [0,2,0,0,0,0|1,0,0]=3 16730 B13R1.528 CCC(O)COc1ccccc1Cl 7a_100000210172_100011218378 [0,2,0,0,0,0|1,0,0]=3 16731 B13R1.528 CCC(O)COc1ccccc1F 34a_100000210171_100011218378 [0,2,0,0,0,0|1,1,0]=4 16732 B13R1.528 CCC(O)COc1ccccc1F 7a_100000210171_100011218378 [0,2,0,0,0,0|1,1,0]=4 16733 B13R1.528 CCC(O)COc1ccccc1I 34a_100000739446_100011218378 [0,2,0,0,0,0|1,1,0]=4 16734 B13R1.528 CCC(O)COc1ccccc1I 7a_100000739446_100011218378 [0,2,0,0,0,0|1,1,0]=4 16735 B13R1.528 CCC(O)COc1ccccc1N 34a_100000185747_100011218378 [0,2,0,0,0,0|2,0,0]=4 16736 B13R1.528 CCC(O)COc1ccccc1N 7a_100000185747_100011218378 [0,2,0,0,0,0|2,0,0]=4 16737 B13R1.528 CCC(O)COc1cccnc1Cl 34a_100000757616_100011218378 [0,2,0,0,0,0|2,0,0]=4 16738 B13R1.528 CCC(O)COc1cccnc1Cl 7a_100000757616_100011218378 [0,2,0,0,0,0|2,0,0]=4 16739 B13R1.528 CCC(O)COc1ccncc1Cl 34a_100011997054_100011218378 [0,2,0,0,0,0|2,0,0]=4 16740 B13R1.528 CCC(O)COc1cnccc1Cl 34a_100011996695_100011218378 [0,2,0,0,0,0|2,0,0]=4 16741 B13R1.528 CCC(O)COc1ncccc1Cl 34a_100011290957_100011218378 [0,2,0,0,0,0|2,0,0]=4 16742 B13R1.528 CCC(O)CSc1ccccc1Br 62a_100000695589_100011218378 [0,2,0,0,0,0|1,1,0]=4 16743 B13R1.528 CCC(O)CSc1ccccc1Br 62a_100011218378_100000695589 [0,2,0,0,0,0|1,1,0]=4 16744 B13R1.528 CCC(O)CSc1ccccc1C 62a_100000210755_100011218378 [0,2,0,0,0,0|2,0,0]=4 16745 B13R1.528 CCC(O)CSc1ccccc1C 62a_100011218378_100000210755 [0,2,0,0,0,0|2,0,0]=4 16746 B13R1.528 CCC(O)CSc1ccccc1Cl 62a_100000764095_100011218378 [0,2,0,0,0,0|1,0,0]=3 16747 B13R1.528 CCC(O)CSc1ccccc1Cl 62a_100011218378_100000764095 [0,2,0,0,0,0|1,0,0]=3 16748 B13R1.528 CCC(O)CSc1ccccc1F 62a_100011215700_100011218378 [0,2,0,0,0,0|1,1,0]=4 16749 B13R1.528 CCC(O)CSc1ccccc1F 62a_100011218378_100011215700 [0,2,0,0,0,0|1,1,0]=4 16750 B13R1.528 CCC(O)CSc1ccccc1N 62a_100000210017_100011218378 [0,2,0,0,0,0|2,0,0]=4 16751 B13R1.528 CCC(O)CSc1ccccc1N 62a_100011218378_100000210017 [0,2,0,0,0,0|2,0,0]=4 16752 B13R1.528 CCC(O)CSc1ccccc1O 62a_100000739446_100011218378 [0,2,0,0,0,0|2,0,0]=4 16753 B13R1.528 CCC(O)CSc1ccccc1O 62a_100011218378_100000739446 [0,2,0,0,0,0|2,0,0]=4 16754 B13R1.528 CCC(O)CSc1cccnc1Cl 62a_100000036424_100011218378 [0,2,0,0,0,0|2,0,0]=4 16755 B13R1.528 CCC(O)CSc1cccnc1Cl 62a_100011218378_100000036424 [0,2,0,0,0,0|2,0,0]=4 16756 B13R1.528 CCC(O)CSc1ccncc1Cl 62a_100000708259_100011218378 [0,2,0,0,0,0|2,0,0]=4 16757 B13R1.528 CCC(O)CSc1ccncc1Cl 62a_100011218378_100000708259 [0,2,0,0,0,0|2,0,0]=4 16758 B13R1.528 CCC(O)CSc1cnccc1Cl 62a_100009995489_100011218378 [0,2,0,0,0,0|2,0,0]=4 16759 B13R1.528 CCC(O)CSc1cnccc1Cl 62a_100011218378_100009995489 [0,2,0,0,0,0|2,0,0]=4 16760 B13R1.528 CCC(O)CSc1ncccc1Cl 62a_100011218378_100011356963 [0,2,0,0,0,0|2,0,0]=4 16761 B13R1.528 CCC(O)CSc1ncccc1Cl 62a_100011356963_100011218378 [0,2,0,0,0,0|2,0,0]=4 16762 B13R1.528 CCN(C)CCc1ccccc1Br 2230a_100000225621_100012161201 [0,2,0,0,0,0|0,1,0]=3 16763 B13R1.528 CCN(C)CCc1ccccc1Br 269982a_100000225621_100012161201 [0,2,0,0,0,0|0,1,0]=3 16764 B13R1.528 CCN(C)CCc1ccccc1C 2230a_100000225621_100011713688 [0,2,0,0,0,0|1,0,0]=3 16765 B13R1.528 CCN(C)CCc1ccccc1C 269982a_100000225621_100011713688 [0,2,0,0,0,0|1,0,0]=3 16766 B13R1.528 CCN(C)CCc1ccccc1Cl 2230a_100000225621_100011713703 [0,2,0,0,0,0|0,0,0]=2 16767 B13R1.528 CCN(C)CCc1ccccc1Cl 269982a_100000225621_100011713703 [0,2,0,0,0,0|0,0,0]=2 16768 B13R1.528 CCN(C)CCc1ccccc1F 2230a_100000225621_100011713696 [0,2,0,0,0,0|0,1,0]=3 16769 B13R1.528 CCN(C)CCc1ccccc1F 2230a_100000232559_100000210202 [0,2,0,0,0,0|0,1,0]=3 16770 B13R1.528 CCN(C)CCc1ccccc1F 269982a_100000225621_100011713696 [0,2,0,0,0,0|0,1,0]=3 16771 B13R1.528 CCN(C)CCc1ccccc1F 269982a_100000232559_100000204670 [0,2,0,0,0,0|0,1,0]=3 16772 B13R1.528 CCN(C)CCc1ccccc1F 34a_100000232559_100000210202 [0,2,0,0,0,0|0,1,0]=3 16773 B13R1.528 CCN(C)CCc1ccccc1O 269982a_100000225621_100000722297 [0,2,0,0,0,0|1,0,0]=3 16774 B13R1.528 CC[C@H](C)CNc1ccccc1Br 34a_100000210017_100009816398 [0,2,0,0,0,0|1,1,0]=4 16775 B13R1.528 CC[C@H](C)CNc1ccccc1C 34a_100015192222_100009816398 [0,2,0,0,0,0|2,0,0]=4 16776 B13R1.528 CC[C@H](C)CNc1ccccc1Cl 34a_100000185783_100009816398 [0,2,0,0,0,0|1,0,0]=3 16777 B13R1.528 CC[C@H](C)CNc1ccccc1F 34a_100000210422_100009816398 [0,2,0,0,0,0|1,1,0]=4 16778 B13R1.528 CC[C@H](C)CNc1ccccc1I 34a_100000210053_100009816398 [0,2,0,0,0,0|1,1,0]=4 16779 B13R1.528 CC[C@H](C)CNc1ccccc1O 34a_100000185747_100009816398 [0,2,0,0,0,0|2,0,0]=4 16780 B13R1.528 CC[C@H](C)COc1ccccc1Br 34a_100000181306_100009816398 [0,2,0,0,0,0|1,1,0]=4 16781 B13R1.528 CC[C@H](C)COc1ccccc1Br 7a_100000181306_100009816398 [0,2,0,0,0,0|1,1,0]=4 16782 B13R1.528 CC[C@H](C)COc1ccccc1C 34a_100000210338_100009816398 [0,2,0,0,0,0|2,0,0]=4 16783 B13R1.528 CC[C@H](C)COc1ccccc1C 7a_100000210338_100009816398 [0,2,0,0,0,0|2,0,0]=4 16784 B13R1.528 CC[C@H](C)COc1ccccc1Cl 34a_100000210172_100009816398 [0,2,0,0,0,0|1,0,0]=3 16785 B13R1.528 CC[C@H](C)COc1ccccc1Cl 7a_100000210172_100009816398 [0,2,0,0,0,0|1,0,0]=3 16786 B13R1.528 CC[C@H](C)COc1ccccc1F 34a_100000210171_100009816398 [0,2,0,0,0,0|1,1,0]=4 16787 B13R1.528 CC[C@H](C)COc1ccccc1F 7a_100000210171_100009816398 [0,2,0,0,0,0|1,1,0]=4 16788 B13R1.528 CC[C@H](C)COc1ccccc1I 34a_100000739446_100009816398 [0,2,0,0,0,0|1,1,0]=4 16789 B13R1.528 CC[C@H](C)COc1ccccc1I 7a_100000739446_100009816398 [0,2,0,0,0,0|1,1,0]=4 16790 B13R1.528 CC[C@H](C)COc1ccccc1N 34a_100000185747_100009816398 [0,2,0,0,0,0|2,0,0]=4 16791 B13R1.528 CC[C@H](C)COc1ccccc1N 7a_100000185747_100009816398 [0,2,0,0,0,0|2,0,0]=4 16792 B13R1.528 CC[C@H](C)COc1cccnc1Cl 34a_100000757616_100009816398 [0,2,0,0,0,0|2,0,0]=4 16793 B13R1.528 CC[C@H](C)COc1cccnc1Cl 7a_100000757616_100009816398 [0,2,0,0,0,0|2,0,0]=4 16794 B13R1.528 CC[C@H](C)COc1ccncc1Cl 34a_100011997054_100009816398 [0,2,0,0,0,0|2,0,0]=4 16795 B13R1.528 CC[C@H](C)COc1cnccc1Cl 34a_100011996695_100009816398 [0,2,0,0,0,0|2,0,0]=4 16796 B13R1.528 CC[C@H](C)COc1ncccc1Cl 34a_100011290957_100009816398 [0,2,0,0,0,0|2,0,0]=4 16797 B13R1.528 CC[C@H](C)CSc1ccccc1Br 62a_100000695589_100009816398 [0,2,0,0,0,0|1,1,0]=4 16798 B13R1.528 CC[C@H](C)CSc1ccccc1Br 62a_100009816398_100000695589 [0,2,0,0,0,0|1,1,0]=4 16799 B13R1.528 CC[C@H](C)CSc1ccccc1C 62a_100000210755_100009816398 [0,2,0,0,0,0|2,0,0]=4 16800 B13R1.528 CC[C@H](C)CSc1ccccc1C 62a_100009816398_100000210755 [0,2,0,0,0,0|2,0,0]=4 16801 B13R1.528 CC[C@H](C)CSc1ccccc1Cl 62a_100000764095_100009816398 [0,2,0,0,0,0|1,0,0]=3 16802 B13R1.528 CC[C@H](C)CSc1ccccc1Cl 62a_100009816398_100000764095 [0,2,0,0,0,0|1,0,0]=3 16803 B13R1.528 CC[C@H](C)CSc1ccccc1F 62a_100009816398_100011215700 [0,2,0,0,0,0|1,1,0]=4 16804 B13R1.528 CC[C@H](C)CSc1ccccc1F 62a_100011215700_100009816398 [0,2,0,0,0,0|1,1,0]=4 16805 B13R1.528 CC[C@H](C)CSc1ccccc1N 62a_100000210017_100009816398 [0,2,0,0,0,0|2,0,0]=4 16806 B13R1.528 CC[C@H](C)CSc1ccccc1N 62a_100009816398_100000210017 [0,2,0,0,0,0|2,0,0]=4 16807 B13R1.528 CC[C@H](C)CSc1ccccc1O 62a_100000739446_100009816398 [0,2,0,0,0,0|2,0,0]=4 16808 B13R1.528 CC[C@H](C)CSc1ccccc1O 62a_100009816398_100000739446 [0,2,0,0,0,0|2,0,0]=4 16809 B13R1.528 CC[C@H](C)CSc1cccnc1Cl 62a_100000036424_100009816398 [0,2,0,0,0,0|2,0,0]=4 16810 B13R1.528 CC[C@H](C)CSc1cccnc1Cl 62a_100009816398_100000036424 [0,2,0,0,0,0|2,0,0]=4 16811 B13R1.528 CC[C@H](C)CSc1ccncc1Cl 62a_100000708259_100009816398 [0,2,0,0,0,0|2,0,0]=4 16812 B13R1.528 CC[C@H](C)CSc1ccncc1Cl 62a_100009816398_100000708259 [0,2,0,0,0,0|2,0,0]=4 16813 B13R1.528 CC[C@H](C)CSc1cnccc1Cl 62a_100009816398_100009995489 [0,2,0,0,0,0|2,0,0]=4 16814 B13R1.528 CC[C@H](C)CSc1cnccc1Cl 62a_100009995489_100009816398 [0,2,0,0,0,0|2,0,0]=4 16815 B13R1.528 CC[C@H](C)CSc1ncccc1Cl 62a_100009816398_100011356963 [0,2,0,0,0,0|2,0,0]=4 16816 B13R1.528 CC[C@H](C)CSc1ncccc1Cl 62a_100011356963_100009816398 [0,2,0,0,0,0|2,0,0]=4 16817 B13R1.528 CN(CF)CCc1ccccc1F 269982a_100000232559_100015361967 [0,2,0,0,0,0|0,1,0]=3 16818 B13R1.528 CN(CF)CCc1ccccc1F 34a_100000232559_100015361967 [0,2,0,0,0,0|0,1,0]=3 16819 B13R1.528 CNC(=O)C=Cc1ccccc1Cl 11a_106832991635_100000720304 [0,2,0,0,0,0|0,0,2]=4 16820 B13R1.528 CNC(=O)C=Cc1ccccc1Cl 1626a_100102657272_100000720304 [0,2,0,0,0,0|0,0,2]=4 16821 B13R1.528 CNC(=O)C=Cc1ccccc1Cl 240690a_100102657272_100000720304 [0,2,0,0,0,0|0,0,2]=4 16822 B13R1.528 CNC(=O)CCc1ccccc1Br 11a_106832991635_100000740810 [0,2,0,0,0,0|0,1,0]=3 16823 B13R1.528 CNC(=O)CCc1ccccc1Br 1626a_100102657272_100000740810 [0,2,0,0,0,0|0,1,0]=3 16824 B13R1.528 CNC(=O)CCc1ccccc1Br 240690a_100102657272_100000740810 [0,2,0,0,0,0|0,1,0]=3 16825 B13R1.528 CNC(=O)CCc1ccccc1Br 527a_100102657272_100000740810 [0,2,0,0,0,0|0,1,0]=3 16826 B13R1.528 CNC(=O)CCc1ccccc1C 11a_106832991635_100000748742 [0,2,0,0,0,0|1,0,0]=3 16827 B13R1.528 CNC(=O)CCc1ccccc1C 1626a_100102657272_100000748742 [0,2,0,0,0,0|1,0,0]=3 16828 B13R1.528 CNC(=O)CCc1ccccc1C 240690a_100102657272_100000748742 [0,2,0,0,0,0|1,0,0]=3 16829 B13R1.528 CNC(=O)CCc1ccccc1C 527a_100102657272_100000748742 [0,2,0,0,0,0|1,0,0]=3 16830 B13R1.528 CNC(=O)CCc1ccccc1Cl 11a_106832991635_100000184300 [0,2,0,0,0,0|0,0,0]=2 16831 B13R1.528 CNC(=O)CCc1ccccc1Cl 1626a_100102657272_100000184300 [0,2,0,0,0,0|0,0,0]=2 16832 B13R1.528 CNC(=O)CCc1ccccc1Cl 240690a_100102657272_100000184300 [0,2,0,0,0,0|0,0,0]=2 16833 B13R1.528 CNC(=O)CCc1ccccc1Cl 527a_100102657272_100000184300 [0,2,0,0,0,0|0,0,0]=2 16834 B13R1.528 CNC(=O)CCc1ccccc1F 11a_106832991635_100000189703 [0,2,0,0,0,0|0,1,0]=3 16835 B13R1.528 CNC(=O)CCc1ccccc1F 1626a_100102657272_100000189703 [0,2,0,0,0,0|0,1,0]=3 16836 B13R1.528 CNC(=O)CCc1ccccc1F 240690a_100102657272_100000189703 [0,2,0,0,0,0|0,1,0]=3 16837 B13R1.528 CNC(=O)CCc1ccccc1F 527a_100102657272_100000189703 [0,2,0,0,0,0|0,1,0]=3 16838 B13R1.528 CNC(=O)CCc1ccccc1I 11a_106832991635_100000037306 [0,2,0,0,0,0|0,1,0]=3 16839 B13R1.528 CNC(=O)CCc1ccccc1I 1626a_100102657272_100000037306 [0,2,0,0,0,0|0,1,0]=3 16840 B13R1.528 CNC(=O)CCc1ccccc1I 240690a_100102657272_100000037306 [0,2,0,0,0,0|0,1,0]=3 16841 B13R1.528 CNC(=O)CCc1ccccc1I 527a_100102657272_100000037306 [0,2,0,0,0,0|0,1,0]=3 16842 B13R1.528 CNC(=O)CCc1ccccc1O 11a_106832991635_100000181328 [0,2,0,0,0,0|1,0,0]=3 16843 B13R1.528 CNC(=O)CCc1ccccc1O 240690a_100102657272_100000181328 [0,2,0,0,0,0|1,0,0]=3 16844 B13R1.528 CNC(=O)CCc1ccccc1O 527a_100102657272_100000181328 [0,2,0,0,0,0|1,0,0]=3 16845 B13R1.528 CNC(=O)CCn1ccccc1=O 11a_106832991635_100000738505 [0,2,0,0,0,0|2,0,0]=4 16846 B13R1.528 CNC(=O)CCn1ccccc1=O 1626a_100102657272_100000738505 [0,2,0,0,0,0|2,0,0]=4 16847 B13R1.528 CNC(=O)CCn1ccccc1=O 240690a_100102657272_100000738505 [0,2,0,0,0,0|2,0,0]=4 16848 B13R1.528 CNC(=O)CCn1ccccc1=O 527a_100102657272_100000738505 [0,2,0,0,0,0|2,0,0]=4 16849 B13R1.528 CNC(=O)CNc1ccccc1Br 34a_100000210017_100000183359 [0,2,0,0,0,0|0,1,1]=4 16850 B13R1.528 CNC(=O)CNc1ccccc1C 34a_100015192222_100000183359 [0,2,0,0,0,0|1,0,1]=4 16851 B13R1.528 CNC(=O)CNc1ccccc1Cl 34a_100000185783_100000183359 [0,2,0,0,0,0|0,0,1]=3 16852 B13R1.528 CNC(=O)CNc1ccccc1F 34a_100000210422_100000183359 [0,2,0,0,0,0|0,1,1]=4 16853 B13R1.528 CNC(=O)CNc1ccccc1I 34a_100000210053_100000183359 [0,2,0,0,0,0|0,1,1]=4 16854 B13R1.528 CNC(=O)CNc1ccccc1O 34a_100000185747_100000183359 [0,2,0,0,0,0|1,0,1]=4 16855 B13R1.528 CNC(=O)COc1ccccc1Br 11a_106832991635_100000216496 [0,2,0,0,0,0|0,1,1]=4 16856 B13R1.528 CNC(=O)COc1ccccc1Br 1626a_100102657272_100000216496 [0,2,0,0,0,0|0,1,1]=4 16857 B13R1.528 CNC(=O)COc1ccccc1Br 240690a_100102657272_100000216496 [0,2,0,0,0,0|0,1,1]=4 16858 B13R1.528 CNC(=O)COc1ccccc1Br 34a_100000181306_100000183359 [0,2,0,0,0,0|0,1,1]=4 16859 B13R1.528 CNC(=O)COc1ccccc1Br 527a_100102657272_100000216496 [0,2,0,0,0,0|0,1,1]=4 16860 B13R1.528 CNC(=O)COc1ccccc1Br 7a_100000181306_100000183359 [0,2,0,0,0,0|0,1,1]=4 16861 B13R1.528 CNC(=O)COc1ccccc1C 11a_106832991635_100000182418 [0,2,0,0,0,0|1,0,1]=4 16862 B13R1.528 CNC(=O)COc1ccccc1C 1626a_100102657272_100000182418 [0,2,0,0,0,0|1,0,1]=4 16863 B13R1.528 CNC(=O)COc1ccccc1C 240690a_100102657272_100000182418 [0,2,0,0,0,0|1,0,1]=4 16864 B13R1.528 CNC(=O)COc1ccccc1C 34a_100000210338_100000183359 [0,2,0,0,0,0|1,0,1]=4 16865 B13R1.528 CNC(=O)COc1ccccc1C 527a_100102657272_100000182418 [0,2,0,0,0,0|1,0,1]=4 16866 B13R1.528 CNC(=O)COc1ccccc1C 7a_100000210338_100000183359 [0,2,0,0,0,0|1,0,1]=4 16867 B13R1.528 CNC(=O)COc1ccccc1Cl 11a_106832991635_100000185159 [0,2,0,0,0,0|0,0,1]=3 16868 B13R1.528 CNC(=O)COc1ccccc1Cl 1626a_100102657272_100000185159 [0,2,0,0,0,0|0,0,1]=3 16869 B13R1.528 CNC(=O)COc1ccccc1Cl 240690a_100102657272_100000185159 [0,2,0,0,0,0|0,0,1]=3 16870 B13R1.528 CNC(=O)COc1ccccc1Cl 34a_100000210172_100000183359 [0,2,0,0,0,0|0,0,1]=3 16871 B13R1.528 CNC(=O)COc1ccccc1Cl 527a_100102657272_100000185159 [0,2,0,0,0,0|0,0,1]=3 16872 B13R1.528 CNC(=O)COc1ccccc1Cl 7a_100000210172_100000183359 [0,2,0,0,0,0|0,0,1]=3 16873 B13R1.528 CNC(=O)COc1ccccc1F 11a_106832991635_100000182486 [0,2,0,0,0,0|0,1,1]=4 16874 B13R1.528 CNC(=O)COc1ccccc1F 1626a_100102657272_100000182486 [0,2,0,0,0,0|0,1,1]=4 16875 B13R1.528 CNC(=O)COc1ccccc1F 240690a_100102657272_100000182486 [0,2,0,0,0,0|0,1,1]=4 16876 B13R1.528 CNC(=O)COc1ccccc1F 34a_100000210171_100000183359 [0,2,0,0,0,0|0,1,1]=4 16877 B13R1.528 CNC(=O)COc1ccccc1F 527a_100102657272_100000182486 [0,2,0,0,0,0|0,1,1]=4 16878 B13R1.528 CNC(=O)COc1ccccc1F 7a_100000210171_100000183359 [0,2,0,0,0,0|0,1,1]=4 16879 B13R1.528 CNC(=O)COc1ccccc1I 34a_100000739446_100000183359 [0,2,0,0,0,0|0,1,1]=4 16880 B13R1.528 CNC(=O)COc1ccccc1I 7a_100000739446_100000183359 [0,2,0,0,0,0|0,1,1]=4 16881 B13R1.528 CNC(=O)COc1ccccc1N 34a_100000185747_100000183359 [0,2,0,0,0,0|1,0,1]=4 16882 B13R1.528 CNC(=O)COc1ccccc1N 7a_100000185747_100000183359 [0,2,0,0,0,0|1,0,1]=4 16883 B13R1.528 CNC(=O)COc1ccccc1O 240690a_100102657272_100000183020 [0,2,0,0,0,0|1,0,1]=4 16884 B13R1.528 CNC(=O)COc1ccccc1O 271570a_203496583355_200000148481 [0,2,0,0,0,0|1,0,1]=4 16885 B13R1.528 CNC(=O)COc1ccccc1O 527a_100102657272_100000183020 [0,2,0,0,0,0|1,0,1]=4 16886 B13R1.528 CNC(=O)COc1cccnc1Cl 34a_100000757616_100000183359 [0,2,0,0,0,0|1,0,1]=4 16887 B13R1.528 CNC(=O)COc1cccnc1Cl 7a_100000757616_100000183359 [0,2,0,0,0,0|1,0,1]=4 16888 B13R1.528 CNC(=O)COc1ccncc1Cl 34a_100011997054_100000183359 [0,2,0,0,0,0|1,0,1]=4 16889 B13R1.528 CNC(=O)COc1cnccc1Cl 34a_100011996695_100000183359 [0,2,0,0,0,0|1,0,1]=4 16890 B13R1.528 CNC(=O)COc1ncccc1Cl 34a_100011290957_100000183359 [0,2,0,0,0,0|1,0,1]=4 16891 B13R1.528 CNC(=O)CSc1ccccc1Br 62a_100000183359_100000695589 [0,2,0,0,0,0|0,1,1]=4 16892 B13R1.528 CNC(=O)CSc1ccccc1Br 62a_100000695589_100000183359 [0,2,0,0,0,0|0,1,1]=4 16893 B13R1.528 CNC(=O)CSc1ccccc1C 11a_106832991635_100000183026 [0,2,0,0,0,0|1,0,1]=4 16894 B13R1.528 CNC(=O)CSc1ccccc1C 1626a_100102657272_100000183026 [0,2,0,0,0,0|1,0,1]=4 16895 B13R1.528 CNC(=O)CSc1ccccc1C 240690a_100102657272_100000183026 [0,2,0,0,0,0|1,0,1]=4 16896 B13R1.528 CNC(=O)CSc1ccccc1C 527a_100102657272_100000183026 [0,2,0,0,0,0|1,0,1]=4 16897 B13R1.528 CNC(=O)CSc1ccccc1C 62a_100000183359_100000210755 [0,2,0,0,0,0|1,0,1]=4 16898 B13R1.528 CNC(=O)CSc1ccccc1C 62a_100000210755_100000183359 [0,2,0,0,0,0|1,0,1]=4 16899 B13R1.528 CNC(=O)CSc1ccccc1Cl 62a_100000183359_100000764095 [0,2,0,0,0,0|0,0,1]=3 16900 B13R1.528 CNC(=O)CSc1ccccc1Cl 62a_100000764095_100000183359 [0,2,0,0,0,0|0,0,1]=3 16901 B13R1.528 CNC(=O)CSc1ccccc1F 11a_106832991635_100000179528 [0,2,0,0,0,0|0,1,1]=4 16902 B13R1.528 CNC(=O)CSc1ccccc1F 1626a_100102657272_100000179528 [0,2,0,0,0,0|0,1,1]=4 16903 B13R1.528 CNC(=O)CSc1ccccc1F 240690a_100102657272_100000179528 [0,2,0,0,0,0|0,1,1]=4 16904 B13R1.528 CNC(=O)CSc1ccccc1F 62a_100000183359_100011215700 [0,2,0,0,0,0|0,1,1]=4 16905 B13R1.528 CNC(=O)CSc1ccccc1F 62a_100011215700_100000183359 [0,2,0,0,0,0|0,1,1]=4 16906 B13R1.528 CNC(=O)CSc1ccccc1N 62a_100000183359_100000210017 [0,2,0,0,0,0|1,0,1]=4 16907 B13R1.528 CNC(=O)CSc1ccccc1N 62a_100000210017_100000183359 [0,2,0,0,0,0|1,0,1]=4 16908 B13R1.528 CNC(=O)CSc1ccccc1O 240690a_100102657272_100000695322 [0,2,0,0,0,0|1,0,1]=4 16909 B13R1.528 CNC(=O)CSc1ccccc1O 527a_100102657272_100000695322 [0,2,0,0,0,0|1,0,1]=4 16910 B13R1.528 CNC(=O)CSc1ccccc1O 62a_100000183359_100000739446 [0,2,0,0,0,0|1,0,1]=4 16911 B13R1.528 CNC(=O)CSc1ccccc1O 62a_100000739446_100000183359 [0,2,0,0,0,0|1,0,1]=4 16912 B13R1.528 CNC(=O)CSc1cccnc1Cl 62a_100000036424_100000183359 [0,2,0,0,0,0|1,0,1]=4 16913 B13R1.528 CNC(=O)CSc1cccnc1Cl 62a_100000183359_100000036424 [0,2,0,0,0,0|1,0,1]=4 16914 B13R1.528 CNC(=O)CSc1ccncc1Cl 62a_100000183359_100000708259 [0,2,0,0,0,0|1,0,1]=4 16915 B13R1.528 CNC(=O)CSc1ccncc1Cl 62a_100000708259_100000183359 [0,2,0,0,0,0|1,0,1]=4 16916 B13R1.528 CNC(=O)CSc1cnccc1Cl 62a_100000183359_100009995489 [0,2,0,0,0,0|1,0,1]=4 16917 B13R1.528 CNC(=O)CSc1cnccc1Cl 62a_100009995489_100000183359 [0,2,0,0,0,0|1,0,1]=4 16918 B13R1.528 CNC(=O)CSc1ncccc1Cl 62a_100000183359_100011356963 [0,2,0,0,0,0|1,0,1]=4 16919 B13R1.528 CNC(=O)CSc1ncccc1Cl 62a_100011356963_100000183359 [0,2,0,0,0,0|1,0,1]=4 16920 B13R1.528 CNC(=O)NCc1ccccc1Br 2708a_100000689332_106832991635 [0,2,0,0,0,0|0,1,1]=4 16921 B13R1.528 CNC(=O)NCc1ccccc1Br 2708a_100102657272_100000689332 [0,2,0,0,0,0|0,1,1]=4 16922 B13R1.528 CNC(=O)NCc1ccccc1Br 273464a_100000689332_100102657272 [0,2,0,0,0,0|0,1,1]=4 16923 B13R1.528 CNC(=O)NCc1ccccc1Br 273464a_100102657272_100000689332 [0,2,0,0,0,0|0,1,1]=4 16924 B13R1.528 CNC(=O)NCc1ccccc1Br 512a_100000689332_100102657272 [0,2,0,0,0,0|0,1,1]=4 16925 B13R1.528 CNC(=O)NCc1ccccc1Br 512a_106832991638_100000689332 [0,2,0,0,0,0|0,1,1]=4 16926 B13R1.528 CNC(=O)NCc1ccccc1C 2708a_100000174972_106832991635 [0,2,0,0,0,0|1,0,1]=4 16927 B13R1.528 CNC(=O)NCc1ccccc1C 2708a_100102657272_100000174972 [0,2,0,0,0,0|1,0,1]=4 16928 B13R1.528 CNC(=O)NCc1ccccc1C 273464a_100000174972_100102657272 [0,2,0,0,0,0|1,0,1]=4 16929 B13R1.528 CNC(=O)NCc1ccccc1C 273464a_100102657272_100000174972 [0,2,0,0,0,0|1,0,1]=4 16930 B13R1.528 CNC(=O)NCc1ccccc1C 512a_100000174972_100102657272 [0,2,0,0,0,0|1,0,1]=4 16931 B13R1.528 CNC(=O)NCc1ccccc1C 512a_106832991638_100000174972 [0,2,0,0,0,0|1,0,1]=4 16932 B13R1.528 CNC(=O)NCc1ccccc1Cl 2708a_100000174879_106832991635 [0,2,0,0,0,0|0,0,1]=3 16933 B13R1.528 CNC(=O)NCc1ccccc1Cl 2708a_100102657272_100000174879 [0,2,0,0,0,0|0,0,1]=3 16934 B13R1.528 CNC(=O)NCc1ccccc1Cl 273464a_100000174879_100102657272 [0,2,0,0,0,0|0,0,1]=3 16935 B13R1.528 CNC(=O)NCc1ccccc1Cl 273464a_100102657272_100000174879 [0,2,0,0,0,0|0,0,1]=3 16936 B13R1.528 CNC(=O)NCc1ccccc1Cl 512a_106832991638_100000174879 [0,2,0,0,0,0|0,0,1]=3 16937 B13R1.528 CNC(=O)NCc1ccccc1F 2708a_100000174869_106832991635 [0,2,0,0,0,0|0,1,1]=4 16938 B13R1.528 CNC(=O)NCc1ccccc1F 2708a_100102657272_100000174869 [0,2,0,0,0,0|0,1,1]=4 16939 B13R1.528 CNC(=O)NCc1ccccc1F 273464a_100000174869_100102657272 [0,2,0,0,0,0|0,1,1]=4 16940 B13R1.528 CNC(=O)NCc1ccccc1F 273464a_100102657272_100000174869 [0,2,0,0,0,0|0,1,1]=4 16941 B13R1.528 CNC(=O)NCc1ccccc1F 512a_100000174869_100102657272 [0,2,0,0,0,0|0,1,1]=4 16942 B13R1.528 CNC(=O)NCc1ccccc1F 512a_106832991638_100000174869 [0,2,0,0,0,0|0,1,1]=4 16943 B13R1.528 CNC(=O)NCc1ccccc1I 2708a_100015347259_106832991635 [0,2,0,0,0,0|0,1,1]=4 16944 B13R1.528 CNC(=O)NCc1ccccc1I 2708a_100102657272_100015347259 [0,2,0,0,0,0|0,1,1]=4 16945 B13R1.528 CNC(=O)NCc1ccccc1I 273464a_100015347259_100102657272 [0,2,0,0,0,0|0,1,1]=4 16946 B13R1.528 CNC(=O)NCc1ccccc1I 273464a_100102657272_100015347259 [0,2,0,0,0,0|0,1,1]=4 16947 B13R1.528 CNC(=O)NCc1ccccc1I 512a_100015347259_100102657272 [0,2,0,0,0,0|0,1,1]=4 16948 B13R1.528 CNC(=O)NCc1ccccc1I 512a_106832991638_100015347259 [0,2,0,0,0,0|0,1,1]=4 16949 B13R1.528 CNC(=O)NCc1ccccc1O 2708a_100000185550_106832991635 [0,2,0,0,0,0|1,0,1]=4 16950 B13R1.528 CNC(=O)NCc1ccccc1O 2708a_100102657272_100000185550 [0,2,0,0,0,0|1,0,1]=4 16951 B13R1.528 CNC(=O)NCc1ccccc1O 273464a_100000185550_100102657272 [0,2,0,0,0,0|1,0,1]=4 16952 B13R1.528 CNC(=O)NCc1ccccc1O 273464a_100102657272_100000185550 [0,2,0,0,0,0|1,0,1]=4 16953 B13R1.528 CNC(=O)NCc1ccccc1O 512a_100000185550_100102657272 [0,2,0,0,0,0|1,0,1]=4 16954 B13R1.528 CNC(=O)NCc1cccnc1Cl 2708a_100015189234_106832991635 [0,2,0,0,0,0|1,0,1]=4 16955 B13R1.528 CNC(=O)NCc1cccnc1Cl 2708a_100102657272_100015189234 [0,2,0,0,0,0|1,0,1]=4 16956 B13R1.528 CNC(=O)NCc1cccnc1Cl 273464a_100015189234_100102657272 [0,2,0,0,0,0|1,0,1]=4 16957 B13R1.528 CNC(=O)NCc1cccnc1Cl 273464a_100102657272_100015189234 [0,2,0,0,0,0|1,0,1]=4 16958 B13R1.528 CNC(=O)NCc1cccnc1Cl 512a_100015189234_100102657272 [0,2,0,0,0,0|1,0,1]=4 16959 B13R1.528 CNC(=O)NCc1cccnc1Cl 512a_106832991638_100015189234 [0,2,0,0,0,0|1,0,1]=4 16960 B13R1.528 CNC(=O)NCc1ncccc1Cl 2708a_100015189233_106832991635 [0,2,0,0,0,0|1,0,1]=4 16961 B13R1.528 CNC(=O)NCc1ncccc1Cl 2708a_100102657272_100015189233 [0,2,0,0,0,0|1,0,1]=4 16962 B13R1.528 CNC(=O)NCc1ncccc1Cl 273464a_100015189233_100102657272 [0,2,0,0,0,0|1,0,1]=4 16963 B13R1.528 CNC(=O)NCc1ncccc1Cl 273464a_100102657272_100015189233 [0,2,0,0,0,0|1,0,1]=4 16964 B13R1.528 CNC(=O)NCc1ncccc1Cl 512a_100015189233_100102657272 [0,2,0,0,0,0|1,0,1]=4 16965 B13R1.528 CNC(=O)NCc1ncccc1Cl 512a_106832991638_100015189233 [0,2,0,0,0,0|1,0,1]=4 16966 B13R1.528 CNC(=O)NNc1ccccc1Cl 273464a_100102657272_100000683529 [0,2,0,0,0,0|1,0,1]=4 16967 B13R1.528 CNC(=O)NNc1ccccc1Cl 512a_106832991638_100000683529 [0,2,0,0,0,0|1,0,1]=4 16968 B13R1.528 CNC(C)COc1ccccc1C 2230a_100000744241_200000210301 [0,2,0,0,0,0|1,0,0]=3 16969 B13R1.528 CNC(C)COc1ccccc1C 34a_100000744241_200000210301 [0,2,0,0,0,0|1,0,0]=3 16970 B13R1.528 COC(=O)CCc1ccccc1O 271570a_203496583355_100009815308 [0,2,0,0,0,0|2,0,0]=4 16971 B13R1.528 COC(=O)CNc1ccccc1Cl 34a_100000185783_100000747449 [0,2,0,0,0,0|1,0,1]=4 16972 B13R1.528 COC(=O)COc1ccccc1Cl 34a_100000210172_100000747449 [0,2,0,0,0,0|1,0,1]=4 16973 B13R1.528 COC(=O)COc1ccccc1Cl 7a_100000210172_100000747449 [0,2,0,0,0,0|1,0,1]=4 16974 B13R1.528 COC(=O)CSc1ccccc1Cl 62a_100000747449_100000764095 [0,2,0,0,0,0|1,0,1]=4 16975 B13R1.528 COC(=O)CSc1ccccc1Cl 62a_100000764095_100000747449 [0,2,0,0,0,0|1,0,1]=4 16976 B13R1.528 COC(C)COc1ccccc1C 34a_200011217337_200000210301 [0,2,0,0,0,0|2,0,0]=4 16977 B13R1.528 COC(C)COc1ccccc1C 7a_200011217337_200000210301 [0,2,0,0,0,0|2,0,0]=4 16978 B13R1.528 COC(C)SCc1ccccc1Br 62a_100000184730_100009879195 [0,2,0,0,0,0|1,1,0]=4 16979 B13R1.528 COC(C)SCc1ccccc1Br 62a_100009879195_100000184730 [0,2,0,0,0,0|1,1,0]=4 16980 B13R1.528 COC(C)SCc1ccccc1C 62a_100000211839_100009879195 [0,2,0,0,0,0|2,0,0]=4 16981 B13R1.528 COC(C)SCc1ccccc1C 62a_100009879195_100000211839 [0,2,0,0,0,0|2,0,0]=4 16982 B13R1.528 COC(C)SCc1ccccc1Cl 62a_100000187162_100009879195 [0,2,0,0,0,0|1,0,0]=3 16983 B13R1.528 COC(C)SCc1ccccc1Cl 62a_100009879195_100000187162 [0,2,0,0,0,0|1,0,0]=3 16984 B13R1.528 COC(C)SCc1ccccc1F 62a_100000211605_100009879195 [0,2,0,0,0,0|1,1,0]=4 16985 B13R1.528 COC(C)SCc1ccccc1F 62a_100009879195_100000211605 [0,2,0,0,0,0|1,1,0]=4 16986 B13R1.528 COC(C)SCc1ccccc1I 62a_100009879195_100011216222 [0,2,0,0,0,0|1,1,0]=4 16987 B13R1.528 COC(C)SCc1ccccc1I 62a_100011216222_100009879195 [0,2,0,0,0,0|1,1,0]=4 16988 B13R1.528 COC(C)SCc1cccnc1Cl 62a_100000045678_100009879195 [0,2,0,0,0,0|2,0,0]=4 16989 B13R1.528 COC(C)SCc1cccnc1Cl 62a_100009879195_100000045678 [0,2,0,0,0,0|2,0,0]=4 16990 B13R1.528 COC(C)SCc1ccncc1Cl 62a_100000763264_100009879195 [0,2,0,0,0,0|2,0,0]=4 16991 B13R1.528 COC(C)SCc1ccncc1Cl 62a_100009879195_100000763264 [0,2,0,0,0,0|2,0,0]=4 16992 B13R1.528 COC(C)SCc1ncccc1Cl 62a_100000099807_100009879195 [0,2,0,0,0,0|2,0,0]=4 16993 B13R1.528 COC(C)SCc1ncccc1Cl 62a_100009879195_100000099807 [0,2,0,0,0,0|2,0,0]=4 16994 B13R1.528 C[C@@H](CO)CNc1ccccc1Cl 34a_100000185783_100000059175 [0,2,0,0,0,0|2,0,0]=4 16995 B13R1.528 C[C@@H](CO)COc1ccccc1Cl 34a_100000210172_100000059175 [0,2,0,0,0,0|2,0,0]=4 16996 B13R1.528 C[C@@H](CO)COc1ccccc1Cl 7a_100000210172_100000059175 [0,2,0,0,0,0|2,0,0]=4 16997 B13R1.528 C[C@@H](CO)CSc1ccccc1Cl 62a_100000059175_100000764095 [0,2,0,0,0,0|2,0,0]=4 16998 B13R1.528 C[C@@H](CO)CSc1ccccc1Cl 62a_100000764095_100000059175 [0,2,0,0,0,0|2,0,0]=4 16999 B13R1.528 C[C@H](CF)NCc1ccccc1Cl 207a_100102880703_100000210073 [0,2,0,0,0,0|2,0,0]=4 17000 B13R1.528 C[C@H](CF)NCc1ccccc1Cl 270004a_100102880703_100000210073 [0,2,0,0,0,0|2,0,0]=4 17001 B13R1.528 C[C@H](CO)NCc1ccccc1Cl 207a_100000737577_100000210073 [0,2,0,0,0,0|2,0,0]=4 17002 B13R1.528 C[C@H](CO)NCc1ccccc1Cl 2230a_100000737577_100000187162 [0,2,0,0,0,0|2,0,0]=4 17003 B13R1.528 C[C@H](CO)NCc1ccccc1Cl 270004a_100000737577_100000210073 [0,2,0,0,0,0|2,0,0]=4 17004 B13R1.528 C[C@H](CO)SCc1ccccc1Cl 62a_100000187162_100016084084 [0,2,0,0,0,0|2,0,0]=4 17005 B13R1.528 C[C@H](CO)SCc1ccccc1Cl 62a_100016084084_100000187162 [0,2,0,0,0,0|2,0,0]=4 17006 B13R1.528 Cc1ccccc1CCC(=O)CF 1458a_100000748742_100015361967 [0,2,0,0,0,0|2,0,0]=4 17007 B13R1.528 Cc1ccccc1CCC(=O)CO 1458a_100000210174_100011713688 [0,2,0,0,0,0|2,0,0]=4 17008 B13R1.528 Cc1ccccc1OCC(C)N[13CH3] 2230a_100000744241_200025704644 [0,2,0,0,0,0|1,0,0]=3 17009 B13R1.528 Cc1ccccc1OCC(C)N[13CH3] 34a_100000744241_200025704644 [0,2,0,0,0,0|1,0,0]=3 17010 B13R1.528 Cc1ccccc1OCC(C)O[13CH3] 34a_200011217337_200025704644 [0,2,0,0,0,0|2,0,0]=4 17011 B13R1.528 Cc1ccccc1OCC(C)O[13CH3] 7a_200011217337_200025704644 [0,2,0,0,0,0|2,0,0]=4 17012 B13R1.528 N#CC(F)SCc1ccccc1Cl 62a_100000187162_200000117898 [0,2,0,0,0,0|2,0,0]=4 17013 B13R1.528 N#CC(F)SCc1ccccc1Cl 62a_200000117898_100000187162 [0,2,0,0,0,0|2,0,0]=4 17014 B13R1.528 O=C(CF)CCc1ccccc1Br 1458a_100000740810_100015361967 [0,2,0,0,0,0|1,1,0]=4 17015 B13R1.528 O=C(CF)CCc1ccccc1Cl 1458a_100000184300_100015361967 [0,2,0,0,0,0|1,0,0]=3 17016 B13R1.528 O=C(CF)CCc1ccccc1F 1458a_100000189703_100015361967 [0,2,0,0,0,0|1,1,0]=4 17017 B13R1.528 O=C(CF)CCc1ccccc1I 1458a_100000037306_100015361967 [0,2,0,0,0,0|1,1,0]=4 17018 B13R1.528 O=C(CF)CCc1ccccc1O 1458a_100000181328_100015361967 [0,2,0,0,0,0|2,0,0]=4 17019 B13R1.528 O=C(CF)COc1ccccc1Cl 1458a_100000185159_100015361967 [0,2,0,0,0,0|2,0,0]=4 17020 B13R1.528 O=C(CO)CCc1ccccc1Br 1458a_100000210174_100012161201 [0,2,0,0,0,0|1,1,0]=4 17021 B13R1.528 O=C(CO)CCc1ccccc1Cl 1458a_100000210174_100011713703 [0,2,0,0,0,0|1,0,0]=3 17022 B13R1.528 O=C(CO)CCc1ccccc1F 1458a_100000210174_100000720011 [0,2,0,0,0,0|1,1,0]=4 17023 B13R1.528 O=C(CO)CCc1ccccc1O 1458a_100000210174_100000722297 [0,2,0,0,0,0|2,0,0]=4 17024 B13R1.528 O=C(CO)NCc1ccccc1Cl 240690a_100000174879_100000210174 [0,2,0,0,0,0|2,0,0]=4 17025 B13R1.528 O=C(CO)NCc1ccccc1Cl 527a_100000174879_100000210174 [0,2,0,0,0,0|2,0,0]=4 17026 B13R1.528 OCC(O)CNc1ccccc1Cl 34a_100000185783_100011219619 [0,2,0,0,0,0|2,0,0]=4 17027 B13R1.528 OCC(O)COc1ccccc1Cl 34a_100000210172_100011219619 [0,2,0,0,0,0|2,0,0]=4 17028 B13R1.528 OCC(O)COc1ccccc1Cl 7a_100000210172_100011219619 [0,2,0,0,0,0|2,0,0]=4 17029 B13R1.528 OCC(O)CSc1ccccc1Cl 62a_100000764095_100011219619 [0,2,0,0,0,0|2,0,0]=4 17030 B13R1.528 OCC(O)CSc1ccccc1Cl 62a_100011219619_100000764095 [0,2,0,0,0,0|2,0,0]=4 17031 B13R1.528 OC[C@H](O)CNc1ccccc1Cl 34a_100000185783_100009815848 [0,2,0,0,0,0|2,0,0]=4 17032 B13R1.528 OC[C@H](O)COc1ccccc1Cl 34a_100000210172_100009815848 [0,2,0,0,0,0|2,0,0]=4 17033 B13R1.528 OC[C@H](O)COc1ccccc1Cl 7a_100000210172_100009815848 [0,2,0,0,0,0|2,0,0]=4 17034 B13R1.528 OC[C@H](O)CSc1ccccc1Cl 62a_100000764095_100009815848 [0,2,0,0,0,0|2,0,0]=4 17035 B13R1.528 OC[C@H](O)CSc1ccccc1Cl 62a_100009815848_100000764095 [0,2,0,0,0,0|2,0,0]=4 17036 B13R1.528 O[C@@H](CF)CNc1ccccc1Cl 34a_100000185783_100015614560 [0,2,0,0,0,0|2,0,0]=4 17037 B13R1.528 O[C@@H](CF)COc1ccccc1Cl 34a_100000210172_100015614560 [0,2,0,0,0,0|2,0,0]=4 17038 B13R1.528 O[C@@H](CF)COc1ccccc1Cl 7a_100000210172_100015614560 [0,2,0,0,0,0|2,0,0]=4 17039 B13R1.528 O[C@@H](CF)CSc1ccccc1Cl 62a_100000764095_100015614560 [0,2,0,0,0,0|2,0,0]=4 17040 B13R1.528 O[C@@H](CF)CSc1ccccc1Cl 62a_100015614560_100000764095 [0,2,0,0,0,0|2,0,0]=4 17041 B13R1.893 C=C(C)CNc1cc(ccc1Cl)Br 34a_100000750497_100000748629 [0,2,0,0,0,0|2,0,0]=4 17042 B13R1.893 C=C(C)CNc1cc(ccc1Cl)C 34a_100011215360_100000748629 [0,2,0,0,0,0|2,0,0]=4 17043 B13R1.893 C=C(C)CNc1cc(ccc1Cl)Cl 34a_100000184485_100000748629 [0,2,0,0,0,0|2,0,0]=4 17044 B13R1.893 C=C(C)CNc1cc(ccc1Cl)F 34a_100000751338_100000748629 [0,2,0,0,0,0|2,0,0]=4 17045 B13R1.893 C=C(C)CNc1cc(ccc1Cl)I 34a_200000761891_100000748629 [0,2,0,0,0,0|2,0,0]=4 17046 B13R1.893 C=C(C)CNc1cc(ccc1Cl)O 34a_100011934297_100000748629 [0,2,0,0,0,0|2,0,0]=4 17047 B13R1.893 C=C(C)COc1cc(ccc1Cl)Br 34a_100000738945_100000748629 [0,2,0,0,0,0|2,0,0]=4 17048 B13R1.893 C=C(C)COc1cc(ccc1Cl)Br 7a_100000738945_100000748629 [0,2,0,0,0,0|2,0,0]=4 17049 B13R1.893 C=C(C)COc1cc(ccc1Cl)C 34a_100000211493_100000748629 [0,2,0,0,0,0|2,0,0]=4 17050 B13R1.893 C=C(C)COc1cc(ccc1Cl)C 7a_100000211493_100000748629 [0,2,0,0,0,0|2,0,0]=4 17051 B13R1.893 C=C(C)COc1cc(ccc1Cl)Cl 34a_100000211422_100000748629 [0,2,0,0,0,0|2,0,0]=4 17052 B13R1.893 C=C(C)COc1cc(ccc1Cl)Cl 7a_100000211422_100000748629 [0,2,0,0,0,0|2,0,0]=4 17053 B13R1.893 C=C(C)COc1cc(ccc1Cl)F 34a_100000692107_100000748629 [0,2,0,0,0,0|2,0,0]=4 17054 B13R1.893 C=C(C)COc1cc(ccc1Cl)F 7a_100000692107_100000748629 [0,2,0,0,0,0|2,0,0]=4 17055 B13R1.893 C=C(C)COc1cc(ccc1Cl)I 34a_100011356854_100000748629 [0,2,0,0,0,0|2,0,0]=4 17056 B13R1.893 C=C(C)COc1cc(ccc1Cl)I 7a_100011356854_100000748629 [0,2,0,0,0,0|2,0,0]=4 17057 B13R1.893 C=C(C)COc1cc(ccc1Cl)N 34a_100011934209_100000748629 [0,2,0,0,0,0|2,0,0]=4 17058 B13R1.893 C=C(C)CSc1cc(ccc1Cl)Br 62a_100000748629_100011772130 [0,2,0,0,0,0|2,0,0]=4 17059 B13R1.893 C=C(C)CSc1cc(ccc1Cl)Br 62a_100011772130_100000211660 [0,2,0,0,0,0|2,0,0]=4 17060 B13R1.893 C=C(C)CSc1cc(ccc1Cl)C 62a_100000748629_100012356289 [0,2,0,0,0,0|2,0,0]=4 17061 B13R1.893 C=C(C)CSc1cc(ccc1Cl)C 62a_100012356289_100000211660 [0,2,0,0,0,0|2,0,0]=4 17062 B13R1.893 C=C(C)CSc1cc(ccc1Cl)Cl 62a_100000707729_100000211660 [0,2,0,0,0,0|2,0,0]=4 17063 B13R1.893 C=C(C)CSc1cc(ccc1Cl)Cl 62a_100000748629_100000707729 [0,2,0,0,0,0|2,0,0]=4 17064 B13R1.893 C=C(C)CSc1cc(ccc1Cl)F 62a_100000748629_100011217299 [0,2,0,0,0,0|2,0,0]=4 17065 B13R1.893 C=C(C)CSc1cc(ccc1Cl)F 62a_100011217299_100000211660 [0,2,0,0,0,0|2,0,0]=4 17066 B13R1.893 C=C(C)CSc1cc(ccc1Cl)N 62a_100000748629_100012360549 [0,2,0,0,0,0|2,0,0]=4 17067 B13R1.893 C=C(C)CSc1cc(ccc1Cl)N 62a_100012360549_100000211660 [0,2,0,0,0,0|2,0,0]=4 17068 B13R1.893 C=C(C)CSc1cc(ccc1Cl)O 62a_100000049588_100000211660 [0,2,0,0,0,0|2,0,0]=4 17069 B13R1.893 C=C(C)CSc1cc(ccc1Cl)O 62a_100000748629_100000049588 [0,2,0,0,0,0|2,0,0]=4 17070 B13R1.893 CC(=O)CCc1cc(ccc1Br)F 1458a_100000685340_200000210301 [0,2,0,0,0,0|1,1,0]=4 17071 B13R1.893 CC(=O)CCc1cc(ccc1C)C 1458a_100011485725_200000210301 [0,2,0,0,0,0|2,0,0]=4 17072 B13R1.893 CC(=O)CCc1cc(ccc1C)F 1458a_100011830270_200000210301 [0,2,0,0,0,0|2,0,0]=4 17073 B13R1.893 CC(=O)CCc1cc(ccc1Cl)Br 1458a_100010145785_200000210301 [0,2,0,0,0,0|1,0,0]=3 17074 B13R1.893 CC(=O)CCc1cc(ccc1Cl)Cl 1458a_200012258936_200000210301 [0,2,0,0,0,0|1,0,0]=3 17075 B13R1.893 CC(=O)CCc1cc(ccc1Cl)F 1458a_100012357546_200000210301 [0,2,0,0,0,0|1,0,0]=3 17076 B13R1.893 CC(=O)CCc1cc(ccc1F)Br 1458a_100000694007_200000210301 [0,2,0,0,0,0|1,1,0]=4 17077 B13R1.893 CC(=O)CCc1cc(ccc1F)C 1458a_100011934859_200000210301 [0,2,0,0,0,0|1,1,0]=4 17078 B13R1.893 CC(=O)CCc1cc(ccc1F)Cl 1458a_200012349660_200000210301 [0,2,0,0,0,0|1,1,0]=4 17079 B13R1.893 CC(=O)CCc1cc(ccc1F)F 1458a_100000070787_100011755056 [0,2,0,0,0,0|1,1,0]=4 17080 B13R1.893 CC(=O)CCc1cc(ccc1F)F 1458a_100000744313_200000210301 [0,2,0,0,0,0|1,1,0]=4 17081 B13R1.893 CC(=O)COc1cc(ccc1Cl)C 1458a_100000183693_200000210301 [0,2,0,0,0,0|2,0,0]=4 17082 B13R1.893 CC(=O)COc1cc(ccc1Cl)Cl 1458a_100000187393_200000210301 [0,2,0,0,0,0|2,0,0]=4 17083 B13R1.893 CC(=O)CSc1cc(ccc1Cl)Cl 1458a_100000179523_200000210301 [0,2,0,0,0,0|2,0,0]=4 17084 B13R1.893 CC(=O)NCc1cc(ccc1Cl)Br 11a_100025772652_100015343762 [0,2,0,0,0,0|2,0,0]=4 17085 B13R1.893 CC(=O)NCc1cc(ccc1Cl)Br 1626a_100025772652_100015343762 [0,2,0,0,0,0|2,0,0]=4 17086 B13R1.893 CC(=O)NCc1cc(ccc1Cl)Br 240690a_100025772652_100015343762 [0,2,0,0,0,0|2,0,0]=4 17087 B13R1.893 CC(=O)NCc1cc(ccc1Cl)Br 527a_100025772652_100103153847 [0,2,0,0,0,0|2,0,0]=4 17088 B13R1.893 CC(=O)NCc1cc(ccc1Cl)C 11a_100025705715_100015343762 [0,2,0,0,0,0|2,0,0]=4 17089 B13R1.893 CC(=O)NCc1cc(ccc1Cl)C 1626a_100025705715_100015343762 [0,2,0,0,0,0|2,0,0]=4 17090 B13R1.893 CC(=O)NCc1cc(ccc1Cl)C 240690a_100025705715_100015343762 [0,2,0,0,0,0|2,0,0]=4 17091 B13R1.893 CC(=O)NCc1cc(ccc1Cl)C 527a_100025705715_100103153847 [0,2,0,0,0,0|2,0,0]=4 17092 B13R1.893 CC(=O)NCc1cc(ccc1Cl)Cl 11a_100102946428_100015343762 [0,2,0,0,0,0|2,0,0]=4 17093 B13R1.893 CC(=O)NCc1cc(ccc1Cl)Cl 1626a_100102946428_100015343762 [0,2,0,0,0,0|2,0,0]=4 17094 B13R1.893 CC(=O)NCc1cc(ccc1Cl)Cl 240690a_100102946428_100015343762 [0,2,0,0,0,0|2,0,0]=4 17095 B13R1.893 CC(=O)NCc1cc(ccc1Cl)Cl 527a_100102946428_100103153847 [0,2,0,0,0,0|2,0,0]=4 17096 B13R1.893 CC(=O)NCc1cc(ccc1Cl)F 11a_100011830483_100015343762 [0,2,0,0,0,0|2,0,0]=4 17097 B13R1.893 CC(=O)NCc1cc(ccc1Cl)F 1626a_100011830483_100015343762 [0,2,0,0,0,0|2,0,0]=4 17098 B13R1.893 CC(=O)NCc1cc(ccc1Cl)F 240690a_100011830483_100015343762 [0,2,0,0,0,0|2,0,0]=4 17099 B13R1.893 CC(=O)NCc1cc(ccc1Cl)F 527a_100011830483_100103153847 [0,2,0,0,0,0|2,0,0]=4 17100 B13R1.893 CC(C)CNc1cc(ccc1Cl)Br 34a_100000750497_100000210624 [0,2,0,0,0,0|2,0,0]=4 17101 B13R1.893 CC(C)CNc1cc(ccc1Cl)Cl 34a_100000184485_100000210624 [0,2,0,0,0,0|2,0,0]=4 17102 B13R1.893 CC(C)CNc1cc(ccc1Cl)F 34a_100000751338_100000210624 [0,2,0,0,0,0|2,0,0]=4 17103 B13R1.893 CC(C)CNc1cc(ccc1Cl)I 34a_200000761891_100000210624 [0,2,0,0,0,0|2,0,0]=4 17104 B13R1.893 CC(C)CNc1cc(ccc1Cl)O 34a_100011934297_100000210624 [0,2,0,0,0,0|2,0,0]=4 17105 B13R1.893 CC(C)COc1cc(ccc1Cl)Br 34a_100000738945_100000210624 [0,2,0,0,0,0|2,0,0]=4 17106 B13R1.893 CC(C)COc1cc(ccc1Cl)Br 7a_100000738945_100000210760 [0,2,0,0,0,0|2,0,0]=4 17107 B13R1.893 CC(C)COc1cc(ccc1Cl)Cl 34a_100000211422_100000210624 [0,2,0,0,0,0|2,0,0]=4 17108 B13R1.893 CC(C)COc1cc(ccc1Cl)Cl 7a_100000211422_100000210760 [0,2,0,0,0,0|2,0,0]=4 17109 B13R1.893 CC(C)COc1cc(ccc1Cl)F 34a_100000692107_100000210624 [0,2,0,0,0,0|2,0,0]=4 17110 B13R1.893 CC(C)COc1cc(ccc1Cl)F 7a_100000692107_100000210760 [0,2,0,0,0,0|2,0,0]=4 17111 B13R1.893 CC(C)COc1cc(ccc1Cl)I 34a_100011356854_100000210624 [0,2,0,0,0,0|2,0,0]=4 17112 B13R1.893 CC(C)COc1cc(ccc1Cl)I 7a_100011356854_100000210760 [0,2,0,0,0,0|2,0,0]=4 17113 B13R1.893 CC(C)COc1cc(ccc1Cl)N 34a_100011934209_100000210624 [0,2,0,0,0,0|2,0,0]=4 17114 B13R1.893 CC(C)CSc1cc(ccc1Cl)Br 62a_100000210624_100011772130 [0,2,0,0,0,0|2,0,0]=4 17115 B13R1.893 CC(C)CSc1cc(ccc1Cl)Br 62a_100011772130_100000210760 [0,2,0,0,0,0|2,0,0]=4 17116 B13R1.893 CC(C)CSc1cc(ccc1Cl)Cl 62a_100000210624_100000707729 [0,2,0,0,0,0|2,0,0]=4 17117 B13R1.893 CC(C)CSc1cc(ccc1Cl)Cl 62a_100000707729_100000210760 [0,2,0,0,0,0|2,0,0]=4 17118 B13R1.893 CC(C)CSc1cc(ccc1Cl)F 62a_100000210624_100011217299 [0,2,0,0,0,0|2,0,0]=4 17119 B13R1.893 CC(C)CSc1cc(ccc1Cl)F 62a_100011217299_100000210760 [0,2,0,0,0,0|2,0,0]=4 17120 B13R1.893 CC(C)CSc1cc(ccc1Cl)N 62a_100000210624_100012360549 [0,2,0,0,0,0|2,0,0]=4 17121 B13R1.893 CC(C)CSc1cc(ccc1Cl)N 62a_100012360549_100000210760 [0,2,0,0,0,0|2,0,0]=4 17122 B13R1.893 CC(C)CSc1cc(ccc1Cl)O 62a_100000049588_100000210760 [0,2,0,0,0,0|2,0,0]=4 17123 B13R1.893 CC(C)CSc1cc(ccc1Cl)O 62a_100000210624_100000049588 [0,2,0,0,0,0|2,0,0]=4 17124 B13R1.893 CC(C)NCc1cc(ccc1Cl)Br 207a_100138425928_100000746309 [0,2,0,0,0,0|2,0,0]=4 17125 B13R1.893 CC(C)NCc1cc(ccc1Cl)Br 2230a_100138425928_100000763347 [0,2,0,0,0,0|2,0,0]=4 17126 B13R1.893 CC(C)NCc1cc(ccc1Cl)Br 34a_100025772652_100000210206 [0,2,0,0,0,0|2,0,0]=4 17127 B13R1.893 CC(C)NCc1cc(ccc1Cl)Br 34a_100138425928_100000763347 [0,2,0,0,0,0|2,0,0]=4 17128 B13R1.893 CC(C)NCc1cc(ccc1Cl)Cl 207a_100138425928_100000746308 [0,2,0,0,0,0|2,0,0]=4 17129 B13R1.893 CC(C)NCc1cc(ccc1Cl)Cl 2230a_100138425928_100000756322 [0,2,0,0,0,0|2,0,0]=4 17130 B13R1.893 CC(C)NCc1cc(ccc1Cl)Cl 34a_100102946428_100000210206 [0,2,0,0,0,0|2,0,0]=4 17131 B13R1.893 CC(C)NCc1cc(ccc1Cl)Cl 34a_100138425928_100000756322 [0,2,0,0,0,0|2,0,0]=4 17132 B13R1.893 CC(C)NCc1cc(ccc1Cl)F 207a_100138425928_100011218309 [0,2,0,0,0,0|2,0,0]=4 17133 B13R1.893 CC(C)NCc1cc(ccc1Cl)F 2230a_100011830483_100000210206 [0,2,0,0,0,0|2,0,0]=4 17134 B13R1.893 CC(C)NCc1cc(ccc1Cl)F 2230a_100138425928_100000709952 [0,2,0,0,0,0|2,0,0]=4 17135 B13R1.893 CC(C)NCc1cc(ccc1Cl)F 34a_100011830483_100000210206 [0,2,0,0,0,0|2,0,0]=4 17136 B13R1.893 CC(C)NCc1cc(ccc1Cl)F 34a_100138425928_100000709952 [0,2,0,0,0,0|2,0,0]=4 17137 B13R1.893 CC(C)NCc1cc(ccc1Cl)I 207a_100138425928_100010254384 [0,2,0,0,0,0|2,0,0]=4 17138 B13R1.893 CC(C)NCc1cc(ccc1Cl)I 2230a_100138425928_100010188191 [0,2,0,0,0,0|2,0,0]=4 17139 B13R1.893 CC(C)NCc1cc(ccc1Cl)I 34a_100138425928_100010188191 [0,2,0,0,0,0|2,0,0]=4 17140 B13R1.893 CC(C)OCc1cc(ccc1Cl)Br 34a_100000212225_100000763347 [0,2,0,0,0,0|2,0,0]=4 17141 B13R1.893 CC(C)OCc1cc(ccc1Cl)Br 34a_100011215897_100000210206 [0,2,0,0,0,0|2,0,0]=4 17142 B13R1.893 CC(C)OCc1cc(ccc1Cl)Br 7a_100011215897_100000210206 [0,2,0,0,0,0|2,0,0]=4 17143 B13R1.893 CC(C)OCc1cc(ccc1Cl)Cl 34a_100000212225_100000756322 [0,2,0,0,0,0|2,0,0]=4 17144 B13R1.893 CC(C)OCc1cc(ccc1Cl)Cl 34a_100000698905_100000210206 [0,2,0,0,0,0|2,0,0]=4 17145 B13R1.893 CC(C)OCc1cc(ccc1Cl)Cl 7a_100000698905_100000210206 [0,2,0,0,0,0|2,0,0]=4 17146 B13R1.893 CC(C)OCc1cc(ccc1Cl)F 34a_100000212225_100000709952 [0,2,0,0,0,0|2,0,0]=4 17147 B13R1.893 CC(C)OCc1cc(ccc1Cl)F 34a_100011218361_100000210206 [0,2,0,0,0,0|2,0,0]=4 17148 B13R1.893 CC(C)OCc1cc(ccc1Cl)F 7a_100011218361_100000210206 [0,2,0,0,0,0|2,0,0]=4 17149 B13R1.893 CC(C)OCc1cc(ccc1Cl)I 34a_100000212225_100010188191 [0,2,0,0,0,0|2,0,0]=4 17150 B13R1.893 CC(C)OCc1cc(ccc1Cl)I 34a_100010128486_100000210206 [0,2,0,0,0,0|2,0,0]=4 17151 B13R1.893 CC(C)OCc1cc(ccc1Cl)I 7a_100010128486_100000210206 [0,2,0,0,0,0|2,0,0]=4 17152 B13R1.893 CC(C)OCc1cc(ccc1Cl)N 34a_100011273577_100000210206 [0,2,0,0,0,0|2,0,0]=4 17153 B13R1.893 CC(C)SCc1cc(ccc1Cl)Br 62a_100000210206_100000763347 [0,2,0,0,0,0|2,0,0]=4 17154 B13R1.893 CC(C)SCc1cc(ccc1Cl)Br 62a_100000763347_100000210206 [0,2,0,0,0,0|2,0,0]=4 17155 B13R1.893 CC(C)SCc1cc(ccc1Cl)Cl 62a_100000210206_100000756322 [0,2,0,0,0,0|2,0,0]=4 17156 B13R1.893 CC(C)SCc1cc(ccc1Cl)Cl 62a_100000756322_100000210206 [0,2,0,0,0,0|2,0,0]=4 17157 B13R1.893 CC(C)SCc1cc(ccc1Cl)F 62a_100000210206_100000709952 [0,2,0,0,0,0|2,0,0]=4 17158 B13R1.893 CC(C)SCc1cc(ccc1Cl)F 62a_100000709952_100000210206 [0,2,0,0,0,0|2,0,0]=4 17159 B13R1.893 CC(C)SCc1cc(ccc1Cl)I 62a_100000210206_100010188191 [0,2,0,0,0,0|2,0,0]=4 17160 B13R1.893 CC(C)SCc1cc(ccc1Cl)I 62a_100010188191_100000210206 [0,2,0,0,0,0|2,0,0]=4 17161 B13R1.893 CC(O)CNc1cc(ccc1Cl)Br 34a_100000750497_100011218427 [0,2,0,0,0,0|2,0,0]=4 17162 B13R1.893 CC(O)CNc1cc(ccc1Cl)Cl 34a_100000184485_100011218427 [0,2,0,0,0,0|2,0,0]=4 17163 B13R1.893 CC(O)CNc1cc(ccc1Cl)F 34a_100000751338_100011218427 [0,2,0,0,0,0|2,0,0]=4 17164 B13R1.893 CC(O)CNc1cc(ccc1Cl)I 34a_200000761891_100011218427 [0,2,0,0,0,0|2,0,0]=4 17165 B13R1.893 CC(O)CNc1cc(ccc1Cl)O 34a_100011934297_100011218427 [0,2,0,0,0,0|2,0,0]=4 17166 B13R1.893 CC(O)COc1cc(ccc1Cl)Br 34a_100000738945_100011218427 [0,2,0,0,0,0|2,0,0]=4 17167 B13R1.893 CC(O)COc1cc(ccc1Cl)Br 7a_100000738945_100011218427 [0,2,0,0,0,0|2,0,0]=4 17168 B13R1.893 CC(O)COc1cc(ccc1Cl)Cl 34a_100000211422_100011218427 [0,2,0,0,0,0|2,0,0]=4 17169 B13R1.893 CC(O)COc1cc(ccc1Cl)Cl 7a_100000211422_100011218427 [0,2,0,0,0,0|2,0,0]=4 17170 B13R1.893 CC(O)COc1cc(ccc1Cl)F 34a_100000692107_100011218427 [0,2,0,0,0,0|2,0,0]=4 17171 B13R1.893 CC(O)COc1cc(ccc1Cl)F 7a_100000692107_100011218427 [0,2,0,0,0,0|2,0,0]=4 17172 B13R1.893 CC(O)COc1cc(ccc1Cl)I 34a_100011356854_100011218427 [0,2,0,0,0,0|2,0,0]=4 17173 B13R1.893 CC(O)COc1cc(ccc1Cl)I 7a_100011356854_100011218427 [0,2,0,0,0,0|2,0,0]=4 17174 B13R1.893 CC(O)COc1cc(ccc1Cl)N 34a_100011934209_100011218427 [0,2,0,0,0,0|2,0,0]=4 17175 B13R1.893 CC(O)CSc1cc(ccc1Cl)Br 62a_100011218427_100011772130 [0,2,0,0,0,0|2,0,0]=4 17176 B13R1.893 CC(O)CSc1cc(ccc1Cl)Br 62a_100011772130_100011218427 [0,2,0,0,0,0|2,0,0]=4 17177 B13R1.893 CC(O)CSc1cc(ccc1Cl)Cl 62a_100000707729_100011218427 [0,2,0,0,0,0|2,0,0]=4 17178 B13R1.893 CC(O)CSc1cc(ccc1Cl)Cl 62a_100011218427_100000707729 [0,2,0,0,0,0|2,0,0]=4 17179 B13R1.893 CC(O)CSc1cc(ccc1Cl)F 62a_100011217299_100011218427 [0,2,0,0,0,0|2,0,0]=4 17180 B13R1.893 CC(O)CSc1cc(ccc1Cl)F 62a_100011218427_100011217299 [0,2,0,0,0,0|2,0,0]=4 17181 B13R1.893 CC(O)CSc1cc(ccc1Cl)N 62a_100011218427_100012360549 [0,2,0,0,0,0|2,0,0]=4 17182 B13R1.893 CC(O)CSc1cc(ccc1Cl)N 62a_100012360549_100011218427 [0,2,0,0,0,0|2,0,0]=4 17183 B13R1.893 CC(O)CSc1cc(ccc1Cl)O 62a_100000049588_100011218427 [0,2,0,0,0,0|2,0,0]=4 17184 B13R1.893 CC(O)CSc1cc(ccc1Cl)O 62a_100011218427_100000049588 [0,2,0,0,0,0|2,0,0]=4 17185 B13R1.893 CN(C)CCc1cc(ccc1F)F 2230a_100102631434_100011755056 [0,2,0,0,0,0|0,1,0]=3 17186 B13R1.893 CN(C)CCc1cc(ccc1F)F 269982a_100102631434_100011755056 [0,2,0,0,0,0|0,1,0]=3 17187 B13R1.893 C[C@@H](O)CNc1cc(ccc1Cl)Br 34a_100000750497_100009817552 [0,2,0,0,0,0|2,0,0]=4 17188 B13R1.893 C[C@@H](O)CNc1cc(ccc1Cl)Cl 34a_100000184485_100009817552 [0,2,0,0,0,0|2,0,0]=4 17189 B13R1.893 C[C@@H](O)CNc1cc(ccc1Cl)F 34a_100000751338_100009817552 [0,2,0,0,0,0|2,0,0]=4 17190 B13R1.893 C[C@@H](O)CNc1cc(ccc1Cl)I 34a_200000761891_100009817552 [0,2,0,0,0,0|2,0,0]=4 17191 B13R1.893 C[C@@H](O)CNc1cc(ccc1Cl)O 34a_100011934297_100009817552 [0,2,0,0,0,0|2,0,0]=4 17192 B13R1.893 C[C@@H](O)COc1cc(ccc1Cl)Br 34a_100000738945_100009817552 [0,2,0,0,0,0|2,0,0]=4 17193 B13R1.893 C[C@@H](O)COc1cc(ccc1Cl)Br 7a_100000738945_100009817552 [0,2,0,0,0,0|2,0,0]=4 17194 B13R1.893 C[C@@H](O)COc1cc(ccc1Cl)Cl 34a_100000211422_100009817552 [0,2,0,0,0,0|2,0,0]=4 17195 B13R1.893 C[C@@H](O)COc1cc(ccc1Cl)Cl 7a_100000211422_100009817552 [0,2,0,0,0,0|2,0,0]=4 17196 B13R1.893 C[C@@H](O)COc1cc(ccc1Cl)F 34a_100000692107_100009817552 [0,2,0,0,0,0|2,0,0]=4 17197 B13R1.893 C[C@@H](O)COc1cc(ccc1Cl)F 7a_100000692107_100009817552 [0,2,0,0,0,0|2,0,0]=4 17198 B13R1.893 C[C@@H](O)COc1cc(ccc1Cl)I 34a_100011356854_100009817552 [0,2,0,0,0,0|2,0,0]=4 17199 B13R1.893 C[C@@H](O)COc1cc(ccc1Cl)I 7a_100011356854_100009817552 [0,2,0,0,0,0|2,0,0]=4 17200 B13R1.893 C[C@@H](O)COc1cc(ccc1Cl)N 34a_100011934209_100009817552 [0,2,0,0,0,0|2,0,0]=4 17201 B13R1.893 C[C@@H](O)CSc1cc(ccc1Cl)Br 62a_100009817552_100011772130 [0,2,0,0,0,0|2,0,0]=4 17202 B13R1.893 C[C@@H](O)CSc1cc(ccc1Cl)Br 62a_100011772130_100009817552 [0,2,0,0,0,0|2,0,0]=4 17203 B13R1.893 C[C@@H](O)CSc1cc(ccc1Cl)Cl 62a_100000707729_100009817552 [0,2,0,0,0,0|2,0,0]=4 17204 B13R1.893 C[C@@H](O)CSc1cc(ccc1Cl)Cl 62a_100009817552_100000707729 [0,2,0,0,0,0|2,0,0]=4 17205 B13R1.893 C[C@@H](O)CSc1cc(ccc1Cl)F 62a_100009817552_100011217299 [0,2,0,0,0,0|2,0,0]=4 17206 B13R1.893 C[C@@H](O)CSc1cc(ccc1Cl)F 62a_100011217299_100009817552 [0,2,0,0,0,0|2,0,0]=4 17207 B13R1.893 C[C@@H](O)CSc1cc(ccc1Cl)N 62a_100009817552_100012360549 [0,2,0,0,0,0|2,0,0]=4 17208 B13R1.893 C[C@@H](O)CSc1cc(ccc1Cl)N 62a_100012360549_100009817552 [0,2,0,0,0,0|2,0,0]=4 17209 B13R1.893 C[C@@H](O)CSc1cc(ccc1Cl)O 62a_100000049588_100009817552 [0,2,0,0,0,0|2,0,0]=4 17210 B13R1.893 C[C@@H](O)CSc1cc(ccc1Cl)O 62a_100009817552_100000049588 [0,2,0,0,0,0|2,0,0]=4 17211 B13R1.893 Cc1ccc(c(c1)CCC(=O)[13CH3])C 1458a_100011485725_200025704644 [0,2,0,0,0,0|2,0,0]=4 17212 B13R1.893 Cc1ccc(c(c1)CCC(=O)[13CH3])F 1458a_100011934859_200025704644 [0,2,0,0,0,0|1,1,0]=4 17213 B13R1.893 Cc1ccc(c(c1)CNC(C)C)Cl 207a_100138425928_100011551332 [0,2,0,0,0,0|2,0,0]=4 17214 B13R1.893 Cc1ccc(c(c1)CNC(C)C)Cl 2230a_100025705715_100000210206 [0,2,0,0,0,0|2,0,0]=4 17215 B13R1.893 Cc1ccc(c(c1)CNC(C)C)Cl 2230a_100138425928_100009871730 [0,2,0,0,0,0|2,0,0]=4 17216 B13R1.893 Cc1ccc(c(c1)CNC(C)C)Cl 34a_100025705715_100000210206 [0,2,0,0,0,0|2,0,0]=4 17217 B13R1.893 Cc1ccc(c(c1)CNC(C)C)Cl 34a_100138425928_100009871730 [0,2,0,0,0,0|2,0,0]=4 17218 B13R1.893 Cc1ccc(c(c1)COC(C)C)Cl 34a_100000212225_100009871730 [0,2,0,0,0,0|2,0,0]=4 17219 B13R1.893 Cc1ccc(c(c1)COC(C)C)Cl 34a_100009878994_100000210206 [0,2,0,0,0,0|2,0,0]=4 17220 B13R1.893 Cc1ccc(c(c1)COC(C)C)Cl 7a_100009878994_100000210206 [0,2,0,0,0,0|2,0,0]=4 17221 B13R1.893 Cc1ccc(c(c1)CSC(C)C)Cl 62a_100000210206_100009871730 [0,2,0,0,0,0|2,0,0]=4 17222 B13R1.893 Cc1ccc(c(c1)CSC(C)C)Cl 62a_100009871730_100000210206 [0,2,0,0,0,0|2,0,0]=4 17223 B13R1.893 Cc1ccc(c(c1)NCC(C)C)Cl 34a_100011215360_100000210624 [0,2,0,0,0,0|2,0,0]=4 17224 B13R1.893 Cc1ccc(c(c1)NCC(C)O)Cl 34a_100011215360_100011218427 [0,2,0,0,0,0|2,0,0]=4 17225 B13R1.893 Cc1ccc(c(c1)NC[C@@H](C)O)Cl 34a_100011215360_100009817552 [0,2,0,0,0,0|2,0,0]=4 17226 B13R1.893 Cc1ccc(c(c1)OCC(=O)[13CH3])Cl 1458a_100000183693_200025704644 [0,2,0,0,0,0|2,0,0]=4 17227 B13R1.893 Cc1ccc(c(c1)OCC(C)C)Cl 34a_100000211493_100000210624 [0,2,0,0,0,0|2,0,0]=4 17228 B13R1.893 Cc1ccc(c(c1)OCC(C)C)Cl 7a_100000211493_100000210760 [0,2,0,0,0,0|2,0,0]=4 17229 B13R1.893 Cc1ccc(c(c1)OCC(C)O)Cl 34a_100000211493_100011218427 [0,2,0,0,0,0|2,0,0]=4 17230 B13R1.893 Cc1ccc(c(c1)OCC(C)O)Cl 7a_100000211493_100011218427 [0,2,0,0,0,0|2,0,0]=4 17231 B13R1.893 Cc1ccc(c(c1)OC[C@@H](C)O)Cl 34a_100000211493_100009817552 [0,2,0,0,0,0|2,0,0]=4 17232 B13R1.893 Cc1ccc(c(c1)OC[C@@H](C)O)Cl 7a_100000211493_100009817552 [0,2,0,0,0,0|2,0,0]=4 17233 B13R1.893 Cc1ccc(c(c1)SCC(C)C)Cl 62a_100000210624_100012356289 [0,2,0,0,0,0|2,0,0]=4 17234 B13R1.893 Cc1ccc(c(c1)SCC(C)C)Cl 62a_100012356289_100000210760 [0,2,0,0,0,0|2,0,0]=4 17235 B13R1.893 Cc1ccc(c(c1)SCC(C)O)Cl 62a_100011218427_100012356289 [0,2,0,0,0,0|2,0,0]=4 17236 B13R1.893 Cc1ccc(c(c1)SCC(C)O)Cl 62a_100012356289_100011218427 [0,2,0,0,0,0|2,0,0]=4 17237 B13R1.893 Cc1ccc(c(c1)SC[C@@H](C)O)Cl 62a_100009817552_100012356289 [0,2,0,0,0,0|2,0,0]=4 17238 B13R1.893 Cc1ccc(c(c1)SC[C@@H](C)O)Cl 62a_100012356289_100009817552 [0,2,0,0,0,0|2,0,0]=4 17239 B13R1.893 Cc1ccc(cc1CCC(=O)[13CH3])F 1458a_100011830270_200025704644 [0,2,0,0,0,0|2,0,0]=4 17240 B13R1.893 [13CH3]C(=O)CCc1cc(ccc1Br)F 1458a_100000685340_200025704644 [0,2,0,0,0,0|1,1,0]=4 17241 B13R1.893 [13CH3]C(=O)CCc1cc(ccc1Cl)Br 1458a_100010145785_200025704644 [0,2,0,0,0,0|1,0,0]=3 17242 B13R1.893 [13CH3]C(=O)CCc1cc(ccc1Cl)Cl 1458a_200012258936_200025704644 [0,2,0,0,0,0|1,0,0]=3 17243 B13R1.893 [13CH3]C(=O)CCc1cc(ccc1Cl)F 1458a_100012357546_200025704644 [0,2,0,0,0,0|1,0,0]=3 17244 B13R1.893 [13CH3]C(=O)CCc1cc(ccc1F)Br 1458a_100000694007_200025704644 [0,2,0,0,0,0|1,1,0]=4 17245 B13R1.893 [13CH3]C(=O)CCc1cc(ccc1F)Cl 1458a_200012349660_200025704644 [0,2,0,0,0,0|1,1,0]=4 17246 B13R1.893 [13CH3]C(=O)CCc1cc(ccc1F)F 1458a_100000744313_200025704644 [0,2,0,0,0,0|1,1,0]=4 17247 B13R1.893 [13CH3]C(=O)COc1cc(ccc1Cl)Cl 1458a_100000187393_200025704644 [0,2,0,0,0,0|2,0,0]=4 17248 B13R1.893 [13CH3]C(=O)CSc1cc(ccc1Cl)Cl 1458a_100000179523_200025704644 [0,2,0,0,0,0|2,0,0]=4 17249 B13R1.3787 C=C(C)CNc1c(cccc1Br)Cl 34a_100102946385_100000748629 [0,2,0,0,0,0|2,0,0]=4 17250 B13R1.3787 C=C(C)CNc1c(cccc1Cl)C 34a_100000756524_100000748629 [0,2,0,0,0,0|2,0,0]=4 17251 B13R1.3787 C=C(C)CNc1c(cccc1Cl)Cl 34a_100000210028_100000748629 [0,2,0,0,0,0|2,0,0]=4 17252 B13R1.3787 C=C(C)CNc1c(cccc1Cl)F 34a_100000760031_100000748629 [0,2,0,0,0,0|2,0,0]=4 17253 B13R1.3787 C=C(C)CNc1c(cccc1Cl)O 34a_100012022510_100000748629 [0,2,0,0,0,0|2,0,0]=4 17254 B13R1.3787 C=C(C)COc1c(cccc1Br)Cl 34a_100010214474_100000748629 [0,2,0,0,0,0|2,0,0]=4 17255 B13R1.3787 C=C(C)COc1c(cccc1Br)Cl 7a_100010214474_100000748629 [0,2,0,0,0,0|2,0,0]=4 17256 B13R1.3787 C=C(C)COc1c(cccc1Cl)C 34a_100000033731_100000748629 [0,2,0,0,0,0|2,0,0]=4 17257 B13R1.3787 C=C(C)COc1c(cccc1Cl)C 7a_100000033731_100000748629 [0,2,0,0,0,0|2,0,0]=4 17258 B13R1.3787 C=C(C)COc1c(cccc1Cl)Cl 34a_100000211709_100000748629 [0,2,0,0,0,0|2,0,0]=4 17259 B13R1.3787 C=C(C)COc1c(cccc1Cl)Cl 7a_100000211709_100000748629 [0,2,0,0,0,0|2,0,0]=4 17260 B13R1.3787 C=C(C)COc1c(cccc1Cl)F 34a_100000694953_100000748629 [0,2,0,0,0,0|2,0,0]=4 17261 B13R1.3787 C=C(C)COc1c(cccc1Cl)F 7a_100000694953_100000748629 [0,2,0,0,0,0|2,0,0]=4 17262 B13R1.3787 C=C(C)COc1c(cccc1Cl)N 34a_100000754742_100000748629 [0,2,0,0,0,0|2,0,0]=4 17263 B13R1.3787 C=C(C)COc1c(cccc1I)Cl 34a_100010202889_100000748629 [0,2,0,0,0,0|2,0,0]=4 17264 B13R1.3787 C=C(C)COc1c(cccc1I)Cl 7a_100010202889_100000748629 [0,2,0,0,0,0|2,0,0]=4 17265 B13R1.3787 C=C(C)CSc1c(cccc1Br)Cl 62a_100000748629_100010214488 [0,2,0,0,0,0|2,0,0]=4 17266 B13R1.3787 C=C(C)CSc1c(cccc1Br)Cl 62a_100010214488_100000211660 [0,2,0,0,0,0|2,0,0]=4 17267 B13R1.3787 C=C(C)CSc1c(cccc1Cl)C 62a_100000043165_100000211660 [0,2,0,0,0,0|2,0,0]=4 17268 B13R1.3787 C=C(C)CSc1c(cccc1Cl)C 62a_100000748629_100000043165 [0,2,0,0,0,0|2,0,0]=4 17269 B13R1.3787 C=C(C)CSc1c(cccc1Cl)Cl 62a_100000034237_100000211660 [0,2,0,0,0,0|2,0,0]=4 17270 B13R1.3787 C=C(C)CSc1c(cccc1Cl)Cl 62a_100000748629_100000034237 [0,2,0,0,0,0|2,0,0]=4 17271 B13R1.3787 C=C(C)CSc1c(cccc1Cl)F 62a_100000050007_100000211660 [0,2,0,0,0,0|2,0,0]=4 17272 B13R1.3787 C=C(C)CSc1c(cccc1Cl)F 62a_100000748629_100000050007 [0,2,0,0,0,0|2,0,0]=4 17273 B13R1.3787 C=C(C)CSc1c(cccc1Cl)N 62a_100000049713_100000211660 [0,2,0,0,0,0|2,0,0]=4 17274 B13R1.3787 C=C(C)CSc1c(cccc1Cl)N 62a_100000748629_100000049713 [0,2,0,0,0,0|2,0,0]=4 17275 B13R1.3787 C=C(C)CSc1c(cccc1Cl)O 62a_100000748629_100000050174 [0,2,0,0,0,0|2,0,0]=4 17276 B13R1.3787 CC(=O)CCc1c(cccc1C)C 1458a_200011998103_200000210301 [0,2,0,0,0,0|2,0,0]=4 17277 B13R1.3787 CC(=O)CCc1c(cccc1Cl)Cl 1458a_100000070787_100012161200 [0,2,0,0,0,0|1,0,0]=3 17278 B13R1.3787 CC(=O)CCc1c(cccc1Cl)Cl 1458a_100011225048_200000210301 [0,2,0,0,0,0|1,0,0]=3 17279 B13R1.3787 CC(=O)CCc1c(cccc1Cl)F 1458a_100011225049_200000210301 [0,2,0,0,0,0|1,0,0]=3 17280 B13R1.3787 CC(=O)CCc1c(cccc1F)F 1458a_100000738981_200000210301 [0,2,0,0,0,0|1,1,0]=4 17281 B13R1.3787 CC(=O)COc1c(cccc1Cl)Cl 1458a_100000184137_200000210301 [0,2,0,0,0,0|2,0,0]=4 17282 B13R1.3787 CC(=O)CSc1c(cccc1Cl)Cl 1458a_100000184567_200000210301 [0,2,0,0,0,0|2,0,0]=4 17283 B13R1.3787 CC(=O)NCc1c(cccc1Cl)Cl 11a_100000174884_100015343762 [0,2,0,0,0,0|2,0,0]=4 17284 B13R1.3787 CC(=O)NCc1c(cccc1Cl)Cl 1626a_100000174884_100015343762 [0,2,0,0,0,0|2,0,0]=4 17285 B13R1.3787 CC(=O)NCc1c(cccc1Cl)Cl 240690a_100000174884_100015343762 [0,2,0,0,0,0|2,0,0]=4 17286 B13R1.3787 CC(=O)NCc1c(cccc1Cl)Cl 527a_100000174884_100103153847 [0,2,0,0,0,0|2,0,0]=4 17287 B13R1.3787 CC(=O)NCc1c(cccc1Cl)F 11a_100000174883_100015343762 [0,2,0,0,0,0|2,0,0]=4 17288 B13R1.3787 CC(=O)NCc1c(cccc1Cl)F 1626a_100000174883_100015343762 [0,2,0,0,0,0|2,0,0]=4 17289 B13R1.3787 CC(=O)NCc1c(cccc1Cl)F 240690a_100000174883_100015343762 [0,2,0,0,0,0|2,0,0]=4 17290 B13R1.3787 CC(=O)NCc1c(cccc1Cl)F 527a_100000174883_100103153847 [0,2,0,0,0,0|2,0,0]=4 17291 B13R1.3787 CC(C)CNc1c(cccc1Br)Cl 34a_100102946385_100000210624 [0,2,0,0,0,0|2,0,0]=4 17292 B13R1.3787 CC(C)CNc1c(cccc1Cl)Cl 34a_100000210028_100000210624 [0,2,0,0,0,0|2,0,0]=4 17293 B13R1.3787 CC(C)CNc1c(cccc1Cl)F 34a_100000760031_100000210624 [0,2,0,0,0,0|2,0,0]=4 17294 B13R1.3787 CC(C)CNc1c(cccc1Cl)O 34a_100012022510_100000210624 [0,2,0,0,0,0|2,0,0]=4 17295 B13R1.3787 CC(C)COc1c(cccc1Br)Cl 34a_100010214474_100000210624 [0,2,0,0,0,0|2,0,0]=4 17296 B13R1.3787 CC(C)COc1c(cccc1Br)Cl 7a_100010214474_100000210760 [0,2,0,0,0,0|2,0,0]=4 17297 B13R1.3787 CC(C)COc1c(cccc1Cl)Cl 34a_100000211709_100000210624 [0,2,0,0,0,0|2,0,0]=4 17298 B13R1.3787 CC(C)COc1c(cccc1Cl)Cl 7a_100000211709_100000210760 [0,2,0,0,0,0|2,0,0]=4 17299 B13R1.3787 CC(C)COc1c(cccc1Cl)F 34a_100000694953_100000210624 [0,2,0,0,0,0|2,0,0]=4 17300 B13R1.3787 CC(C)COc1c(cccc1Cl)F 7a_100000694953_100000210760 [0,2,0,0,0,0|2,0,0]=4 17301 B13R1.3787 CC(C)COc1c(cccc1Cl)N 34a_100000754742_100000210624 [0,2,0,0,0,0|2,0,0]=4 17302 B13R1.3787 CC(C)COc1c(cccc1I)Cl 34a_100010202889_100000210624 [0,2,0,0,0,0|2,0,0]=4 17303 B13R1.3787 CC(C)COc1c(cccc1I)Cl 7a_100010202889_100000210760 [0,2,0,0,0,0|2,0,0]=4 17304 B13R1.3787 CC(C)CSc1c(cccc1Br)Cl 62a_100000210624_100010214488 [0,2,0,0,0,0|2,0,0]=4 17305 B13R1.3787 CC(C)CSc1c(cccc1Br)Cl 62a_100010214488_100000210760 [0,2,0,0,0,0|2,0,0]=4 17306 B13R1.3787 CC(C)CSc1c(cccc1Cl)Cl 62a_100000034237_100000210760 [0,2,0,0,0,0|2,0,0]=4 17307 B13R1.3787 CC(C)CSc1c(cccc1Cl)Cl 62a_100000210624_100000034237 [0,2,0,0,0,0|2,0,0]=4 17308 B13R1.3787 CC(C)CSc1c(cccc1Cl)F 62a_100000050007_100000210760 [0,2,0,0,0,0|2,0,0]=4 17309 B13R1.3787 CC(C)CSc1c(cccc1Cl)F 62a_100000210624_100000050007 [0,2,0,0,0,0|2,0,0]=4 17310 B13R1.3787 CC(C)CSc1c(cccc1Cl)N 62a_100000049713_100000210760 [0,2,0,0,0,0|2,0,0]=4 17311 B13R1.3787 CC(C)CSc1c(cccc1Cl)N 62a_100000210624_100000049713 [0,2,0,0,0,0|2,0,0]=4 17312 B13R1.3787 CC(C)CSc1c(cccc1Cl)O 62a_100000210624_100000050174 [0,2,0,0,0,0|2,0,0]=4 17313 B13R1.3787 CC(C)NCc1c(cccc1Br)Cl 207a_100138425928_100011249081 [0,2,0,0,0,0|2,0,0]=4 17314 B13R1.3787 CC(C)NCc1c(cccc1Br)Cl 2230a_100138425928_100010138402 [0,2,0,0,0,0|2,0,0]=4 17315 B13R1.3787 CC(C)NCc1c(cccc1Br)Cl 34a_100138425928_100010138402 [0,2,0,0,0,0|2,0,0]=4 17316 B13R1.3787 CC(C)NCc1c(cccc1Cl)Cl 207a_100138425928_100000189306 [0,2,0,0,0,0|2,0,0]=4 17317 B13R1.3787 CC(C)NCc1c(cccc1Cl)Cl 2230a_100000174884_100000210206 [0,2,0,0,0,0|2,0,0]=4 17318 B13R1.3787 CC(C)NCc1c(cccc1Cl)Cl 2230a_100138425928_100000187851 [0,2,0,0,0,0|2,0,0]=4 17319 B13R1.3787 CC(C)NCc1c(cccc1Cl)Cl 34a_100000174884_100000210206 [0,2,0,0,0,0|2,0,0]=4 17320 B13R1.3787 CC(C)NCc1c(cccc1Cl)Cl 34a_100138425928_100000187851 [0,2,0,0,0,0|2,0,0]=4 17321 B13R1.3787 CC(C)NCc1c(cccc1Cl)F 207a_100138425928_100000210083 [0,2,0,0,0,0|2,0,0]=4 17322 B13R1.3787 CC(C)NCc1c(cccc1Cl)F 2230a_100138425928_100000187852 [0,2,0,0,0,0|2,0,0]=4 17323 B13R1.3787 CC(C)NCc1c(cccc1Cl)F 34a_100000174883_100000210206 [0,2,0,0,0,0|2,0,0]=4 17324 B13R1.3787 CC(C)NCc1c(cccc1Cl)F 34a_100138425928_100000187852 [0,2,0,0,0,0|2,0,0]=4 17325 B13R1.3787 CC(C)NCc1c(cccc1I)Cl 207a_100138425928_100010147682 [0,2,0,0,0,0|2,0,0]=4 17326 B13R1.3787 CC(C)OCc1c(cccc1Br)Cl 34a_100000212225_100010138402 [0,2,0,0,0,0|2,0,0]=4 17327 B13R1.3787 CC(C)OCc1c(cccc1Cl)Cl 34a_100000212225_100000187851 [0,2,0,0,0,0|2,0,0]=4 17328 B13R1.3787 CC(C)OCc1c(cccc1Cl)Cl 34a_100000215722_100000210206 [0,2,0,0,0,0|2,0,0]=4 17329 B13R1.3787 CC(C)OCc1c(cccc1Cl)Cl 7a_100000215722_100000210206 [0,2,0,0,0,0|2,0,0]=4 17330 B13R1.3787 CC(C)OCc1c(cccc1Cl)F 34a_100000212225_100000187852 [0,2,0,0,0,0|2,0,0]=4 17331 B13R1.3787 CC(C)OCc1c(cccc1Cl)F 34a_100000215723_100000210206 [0,2,0,0,0,0|2,0,0]=4 17332 B13R1.3787 CC(C)OCc1c(cccc1Cl)F 7a_100000215723_100000210206 [0,2,0,0,0,0|2,0,0]=4 17333 B13R1.3787 CC(C)OCc1c(cccc1Cl)N 34a_100011916388_100000210206 [0,2,0,0,0,0|2,0,0]=4 17334 B13R1.3787 CC(C)SCc1c(cccc1Br)Cl 62a_100000210206_100010138402 [0,2,0,0,0,0|2,0,0]=4 17335 B13R1.3787 CC(C)SCc1c(cccc1Br)Cl 62a_100010138402_100000210206 [0,2,0,0,0,0|2,0,0]=4 17336 B13R1.3787 CC(C)SCc1c(cccc1Cl)Cl 62a_100000187851_100000210206 [0,2,0,0,0,0|2,0,0]=4 17337 B13R1.3787 CC(C)SCc1c(cccc1Cl)Cl 62a_100000210206_100000187851 [0,2,0,0,0,0|2,0,0]=4 17338 B13R1.3787 CC(C)SCc1c(cccc1Cl)F 62a_100000187852_100000210206 [0,2,0,0,0,0|2,0,0]=4 17339 B13R1.3787 CC(C)SCc1c(cccc1Cl)F 62a_100000210206_100000187852 [0,2,0,0,0,0|2,0,0]=4 17340 B13R1.3787 CC(O)CNc1c(cccc1Br)Cl 34a_100102946385_100011218427 [0,2,0,0,0,0|2,0,0]=4 17341 B13R1.3787 CC(O)CNc1c(cccc1Cl)Cl 34a_100000210028_100011218427 [0,2,0,0,0,0|2,0,0]=4 17342 B13R1.3787 CC(O)CNc1c(cccc1Cl)F 34a_100000760031_100011218427 [0,2,0,0,0,0|2,0,0]=4 17343 B13R1.3787 CC(O)CNc1c(cccc1Cl)O 34a_100012022510_100011218427 [0,2,0,0,0,0|2,0,0]=4 17344 B13R1.3787 CC(O)COc1c(cccc1Br)Cl 34a_100010214474_100011218427 [0,2,0,0,0,0|2,0,0]=4 17345 B13R1.3787 CC(O)COc1c(cccc1Br)Cl 7a_100010214474_100011218427 [0,2,0,0,0,0|2,0,0]=4 17346 B13R1.3787 CC(O)COc1c(cccc1Cl)Cl 34a_100000211709_100011218427 [0,2,0,0,0,0|2,0,0]=4 17347 B13R1.3787 CC(O)COc1c(cccc1Cl)Cl 7a_100000211709_100011218427 [0,2,0,0,0,0|2,0,0]=4 17348 B13R1.3787 CC(O)COc1c(cccc1Cl)F 34a_100000694953_100011218427 [0,2,0,0,0,0|2,0,0]=4 17349 B13R1.3787 CC(O)COc1c(cccc1Cl)F 7a_100000694953_100011218427 [0,2,0,0,0,0|2,0,0]=4 17350 B13R1.3787 CC(O)COc1c(cccc1Cl)N 34a_100000754742_100011218427 [0,2,0,0,0,0|2,0,0]=4 17351 B13R1.3787 CC(O)COc1c(cccc1I)Cl 34a_100010202889_100011218427 [0,2,0,0,0,0|2,0,0]=4 17352 B13R1.3787 CC(O)COc1c(cccc1I)Cl 7a_100010202889_100011218427 [0,2,0,0,0,0|2,0,0]=4 17353 B13R1.3787 CC(O)CSc1c(cccc1Br)Cl 62a_100010214488_100011218427 [0,2,0,0,0,0|2,0,0]=4 17354 B13R1.3787 CC(O)CSc1c(cccc1Br)Cl 62a_100011218427_100010214488 [0,2,0,0,0,0|2,0,0]=4 17355 B13R1.3787 CC(O)CSc1c(cccc1Cl)Cl 62a_100000034237_100011218427 [0,2,0,0,0,0|2,0,0]=4 17356 B13R1.3787 CC(O)CSc1c(cccc1Cl)Cl 62a_100011218427_100000034237 [0,2,0,0,0,0|2,0,0]=4 17357 B13R1.3787 CC(O)CSc1c(cccc1Cl)F 62a_100000050007_100011218427 [0,2,0,0,0,0|2,0,0]=4 17358 B13R1.3787 CC(O)CSc1c(cccc1Cl)F 62a_100011218427_100000050007 [0,2,0,0,0,0|2,0,0]=4 17359 B13R1.3787 CC(O)CSc1c(cccc1Cl)N 62a_100000049713_100011218427 [0,2,0,0,0,0|2,0,0]=4 17360 B13R1.3787 CC(O)CSc1c(cccc1Cl)N 62a_100011218427_100000049713 [0,2,0,0,0,0|2,0,0]=4 17361 B13R1.3787 CC(O)CSc1c(cccc1Cl)O 62a_100011218427_100000050174 [0,2,0,0,0,0|2,0,0]=4 17362 B13R1.3787 CN(C)CCc1c(cccc1Cl)Cl 2230a_100102631434_100012161200 [0,2,0,0,0,0|0,0,0]=2 17363 B13R1.3787 CN(C)CCc1c(cccc1Cl)Cl 269982a_100102631434_100012161200 [0,2,0,0,0,0|0,0,0]=2 17364 B13R1.3787 C[C@@H](O)CNc1c(cccc1Br)Cl 34a_100102946385_100009817552 [0,2,0,0,0,0|2,0,0]=4 17365 B13R1.3787 C[C@@H](O)CNc1c(cccc1Cl)Cl 34a_100000210028_100009817552 [0,2,0,0,0,0|2,0,0]=4 17366 B13R1.3787 C[C@@H](O)CNc1c(cccc1Cl)F 34a_100000760031_100009817552 [0,2,0,0,0,0|2,0,0]=4 17367 B13R1.3787 C[C@@H](O)CNc1c(cccc1Cl)O 34a_100012022510_100009817552 [0,2,0,0,0,0|2,0,0]=4 17368 B13R1.3787 C[C@@H](O)COc1c(cccc1Br)Cl 34a_100010214474_100009817552 [0,2,0,0,0,0|2,0,0]=4 17369 B13R1.3787 C[C@@H](O)COc1c(cccc1Br)Cl 7a_100010214474_100009817552 [0,2,0,0,0,0|2,0,0]=4 17370 B13R1.3787 C[C@@H](O)COc1c(cccc1Cl)Cl 34a_100000211709_100009817552 [0,2,0,0,0,0|2,0,0]=4 17371 B13R1.3787 C[C@@H](O)COc1c(cccc1Cl)Cl 7a_100000211709_100009817552 [0,2,0,0,0,0|2,0,0]=4 17372 B13R1.3787 C[C@@H](O)COc1c(cccc1Cl)F 34a_100000694953_100009817552 [0,2,0,0,0,0|2,0,0]=4 17373 B13R1.3787 C[C@@H](O)COc1c(cccc1Cl)F 7a_100000694953_100009817552 [0,2,0,0,0,0|2,0,0]=4 17374 B13R1.3787 C[C@@H](O)COc1c(cccc1Cl)N 34a_100000754742_100009817552 [0,2,0,0,0,0|2,0,0]=4 17375 B13R1.3787 C[C@@H](O)COc1c(cccc1I)Cl 34a_100010202889_100009817552 [0,2,0,0,0,0|2,0,0]=4 17376 B13R1.3787 C[C@@H](O)COc1c(cccc1I)Cl 7a_100010202889_100009817552 [0,2,0,0,0,0|2,0,0]=4 17377 B13R1.3787 C[C@@H](O)CSc1c(cccc1Br)Cl 62a_100009817552_100010214488 [0,2,0,0,0,0|2,0,0]=4 17378 B13R1.3787 C[C@@H](O)CSc1c(cccc1Br)Cl 62a_100010214488_100009817552 [0,2,0,0,0,0|2,0,0]=4 17379 B13R1.3787 C[C@@H](O)CSc1c(cccc1Cl)Cl 62a_100000034237_100009817552 [0,2,0,0,0,0|2,0,0]=4 17380 B13R1.3787 C[C@@H](O)CSc1c(cccc1Cl)Cl 62a_100009817552_100000034237 [0,2,0,0,0,0|2,0,0]=4 17381 B13R1.3787 C[C@@H](O)CSc1c(cccc1Cl)F 62a_100000050007_100009817552 [0,2,0,0,0,0|2,0,0]=4 17382 B13R1.3787 C[C@@H](O)CSc1c(cccc1Cl)F 62a_100009817552_100000050007 [0,2,0,0,0,0|2,0,0]=4 17383 B13R1.3787 C[C@@H](O)CSc1c(cccc1Cl)N 62a_100000049713_100009817552 [0,2,0,0,0,0|2,0,0]=4 17384 B13R1.3787 C[C@@H](O)CSc1c(cccc1Cl)N 62a_100009817552_100000049713 [0,2,0,0,0,0|2,0,0]=4 17385 B13R1.3787 C[C@@H](O)CSc1c(cccc1Cl)O 62a_100009817552_100000050174 [0,2,0,0,0,0|2,0,0]=4 17386 B13R1.3787 Cc1cccc(c1CCC(=O)[13CH3])C 1458a_200011998103_200025704644 [0,2,0,0,0,0|2,0,0]=4 17387 B13R1.3787 Cc1cccc(c1CNC(C)C)Cl 207a_100138425928_100000041122 [0,2,0,0,0,0|2,0,0]=4 17388 B13R1.3787 Cc1cccc(c1COC(C)C)Cl 34a_100000082531_100000210206 [0,2,0,0,0,0|2,0,0]=4 17389 B13R1.3787 Cc1cccc(c1COC(C)C)Cl 7a_100000082531_100000210206 [0,2,0,0,0,0|2,0,0]=4 17390 B13R1.3787 Cc1cccc(c1NCC(C)C)Cl 34a_100000756524_100000210624 [0,2,0,0,0,0|2,0,0]=4 17391 B13R1.3787 Cc1cccc(c1NCC(C)O)Cl 34a_100000756524_100011218427 [0,2,0,0,0,0|2,0,0]=4 17392 B13R1.3787 Cc1cccc(c1NC[C@@H](C)O)Cl 34a_100000756524_100009817552 [0,2,0,0,0,0|2,0,0]=4 17393 B13R1.3787 Cc1cccc(c1OCC(C)C)Cl 34a_100000033731_100000210624 [0,2,0,0,0,0|2,0,0]=4 17394 B13R1.3787 Cc1cccc(c1OCC(C)C)Cl 7a_100000033731_100000210760 [0,2,0,0,0,0|2,0,0]=4 17395 B13R1.3787 Cc1cccc(c1OCC(C)O)Cl 34a_100000033731_100011218427 [0,2,0,0,0,0|2,0,0]=4 17396 B13R1.3787 Cc1cccc(c1OCC(C)O)Cl 7a_100000033731_100011218427 [0,2,0,0,0,0|2,0,0]=4 17397 B13R1.3787 Cc1cccc(c1OC[C@@H](C)O)Cl 34a_100000033731_100009817552 [0,2,0,0,0,0|2,0,0]=4 17398 B13R1.3787 Cc1cccc(c1OC[C@@H](C)O)Cl 7a_100000033731_100009817552 [0,2,0,0,0,0|2,0,0]=4 17399 B13R1.3787 Cc1cccc(c1SCC(C)C)Cl 62a_100000043165_100000210760 [0,2,0,0,0,0|2,0,0]=4 17400 B13R1.3787 Cc1cccc(c1SCC(C)C)Cl 62a_100000210624_100000043165 [0,2,0,0,0,0|2,0,0]=4 17401 B13R1.3787 Cc1cccc(c1SCC(C)O)Cl 62a_100000043165_100011218427 [0,2,0,0,0,0|2,0,0]=4 17402 B13R1.3787 Cc1cccc(c1SCC(C)O)Cl 62a_100011218427_100000043165 [0,2,0,0,0,0|2,0,0]=4 17403 B13R1.3787 Cc1cccc(c1SC[C@@H](C)O)Cl 62a_100000043165_100009817552 [0,2,0,0,0,0|2,0,0]=4 17404 B13R1.3787 Cc1cccc(c1SC[C@@H](C)O)Cl 62a_100009817552_100000043165 [0,2,0,0,0,0|2,0,0]=4 17405 B13R1.3787 [13CH3]C(=O)CCc1c(cccc1Cl)Cl 1458a_100011225048_200025704644 [0,2,0,0,0,0|1,0,0]=3 17406 B13R1.3787 [13CH3]C(=O)CCc1c(cccc1Cl)F 1458a_100011225049_200025704644 [0,2,0,0,0,0|1,0,0]=3 17407 B13R1.3787 [13CH3]C(=O)CCc1c(cccc1F)F 1458a_100000738981_200025704644 [0,2,0,0,0,0|1,1,0]=4 17408 B13R1.3787 [13CH3]C(=O)COc1c(cccc1Cl)Cl 1458a_100000184137_200025704644 [0,2,0,0,0,0|2,0,0]=4 17409 B13R1.3787 [13CH3]C(=O)CSc1c(cccc1Cl)Cl 1458a_100000184567_200025704644 [0,2,0,0,0,0|2,0,0]=4 17410 B13R1.158 C=C(C)CCNc1ccccc1Br 34a_100000210017_100000730704 [0,2,0,0,0,0|1,1,0]=4 17411 B13R1.158 C=C(C)CCNc1ccccc1C 34a_100015192222_100000730704 [0,2,0,0,0,0|2,0,0]=4 17412 B13R1.158 C=C(C)CCNc1ccccc1Cl 34a_100000185783_100000730704 [0,2,0,0,0,0|1,0,0]=3 17413 B13R1.158 C=C(C)CCNc1ccccc1F 34a_100000210422_100000730704 [0,2,0,0,0,0|1,1,0]=4 17414 B13R1.158 C=C(C)CCNc1ccccc1I 34a_100000210053_100000730704 [0,2,0,0,0,0|1,1,0]=4 17415 B13R1.158 C=C(C)CCNc1ccccc1O 34a_100000185747_100000730704 [0,2,0,0,0,0|2,0,0]=4 17416 B13R1.158 C=C(C)CCOc1ccccc1Br 34a_100000181306_100000730704 [0,2,0,0,0,0|1,1,0]=4 17417 B13R1.158 C=C(C)CCOc1ccccc1Br 7a_100000181306_100000730704 [0,2,0,0,0,0|1,1,0]=4 17418 B13R1.158 C=C(C)CCOc1ccccc1C 34a_100000210338_100000730704 [0,2,0,0,0,0|2,0,0]=4 17419 B13R1.158 C=C(C)CCOc1ccccc1C 7a_100000210338_100000730704 [0,2,0,0,0,0|2,0,0]=4 17420 B13R1.158 C=C(C)CCOc1ccccc1Cl 34a_100000210172_100000730704 [0,2,0,0,0,0|1,0,0]=3 17421 B13R1.158 C=C(C)CCOc1ccccc1Cl 7a_100000210172_100000730704 [0,2,0,0,0,0|1,0,0]=3 17422 B13R1.158 C=C(C)CCOc1ccccc1F 34a_100000210171_100000730704 [0,2,0,0,0,0|1,1,0]=4 17423 B13R1.158 C=C(C)CCOc1ccccc1F 7a_100000210171_100000730704 [0,2,0,0,0,0|1,1,0]=4 17424 B13R1.158 C=C(C)CCOc1ccccc1I 34a_100000739446_100000730704 [0,2,0,0,0,0|1,1,0]=4 17425 B13R1.158 C=C(C)CCOc1ccccc1I 7a_100000739446_100000730704 [0,2,0,0,0,0|1,1,0]=4 17426 B13R1.158 C=C(C)CCOc1ccccc1N 34a_100000185747_100000730704 [0,2,0,0,0,0|2,0,0]=4 17427 B13R1.158 C=C(C)CCOc1ccccc1N 7a_100000185747_100000730704 [0,2,0,0,0,0|2,0,0]=4 17428 B13R1.158 C=C(C)CCOc1cccnc1Cl 34a_100000757616_100000730704 [0,2,0,0,0,0|2,0,0]=4 17429 B13R1.158 C=C(C)CCOc1cccnc1Cl 7a_100000757616_100000730704 [0,2,0,0,0,0|2,0,0]=4 17430 B13R1.158 C=C(C)CCOc1ccncc1Cl 34a_100011997054_100000730704 [0,2,0,0,0,0|2,0,0]=4 17431 B13R1.158 C=C(C)CCOc1cnccc1Cl 34a_100011996695_100000730704 [0,2,0,0,0,0|2,0,0]=4 17432 B13R1.158 C=C(C)CCOc1ncccc1Cl 34a_100011290957_100000730704 [0,2,0,0,0,0|2,0,0]=4 17433 B13R1.158 C=C(C)CCSc1ccccc1Br 62a_100000695589_100000730704 [0,2,0,0,0,0|1,1,0]=4 17434 B13R1.158 C=C(C)CCSc1ccccc1Br 62a_100000730704_100000695589 [0,2,0,0,0,0|1,1,0]=4 17435 B13R1.158 C=C(C)CCSc1ccccc1C 62a_100000210755_100000730704 [0,2,0,0,0,0|2,0,0]=4 17436 B13R1.158 C=C(C)CCSc1ccccc1C 62a_100000730704_100000210755 [0,2,0,0,0,0|2,0,0]=4 17437 B13R1.158 C=C(C)CCSc1ccccc1Cl 62a_100000730704_100000764095 [0,2,0,0,0,0|1,0,0]=3 17438 B13R1.158 C=C(C)CCSc1ccccc1Cl 62a_100000764095_100000730704 [0,2,0,0,0,0|1,0,0]=3 17439 B13R1.158 C=C(C)CCSc1ccccc1F 62a_100000730704_100011215700 [0,2,0,0,0,0|1,1,0]=4 17440 B13R1.158 C=C(C)CCSc1ccccc1F 62a_100011215700_100000730704 [0,2,0,0,0,0|1,1,0]=4 17441 B13R1.158 C=C(C)CCSc1ccccc1N 62a_100000210017_100000730704 [0,2,0,0,0,0|2,0,0]=4 17442 B13R1.158 C=C(C)CCSc1ccccc1N 62a_100000730704_100000210017 [0,2,0,0,0,0|2,0,0]=4 17443 B13R1.158 C=C(C)CCSc1ccccc1O 62a_100000730704_100000739446 [0,2,0,0,0,0|2,0,0]=4 17444 B13R1.158 C=C(C)CCSc1ccccc1O 62a_100000739446_100000730704 [0,2,0,0,0,0|2,0,0]=4 17445 B13R1.158 C=C(C)CCSc1cccnc1Cl 62a_100000036424_100000730704 [0,2,0,0,0,0|2,0,0]=4 17446 B13R1.158 C=C(C)CCSc1cccnc1Cl 62a_100000730704_100000036424 [0,2,0,0,0,0|2,0,0]=4 17447 B13R1.158 C=C(C)CCSc1ccncc1Cl 62a_100000708259_100000730704 [0,2,0,0,0,0|2,0,0]=4 17448 B13R1.158 C=C(C)CCSc1ccncc1Cl 62a_100000730704_100000708259 [0,2,0,0,0,0|2,0,0]=4 17449 B13R1.158 C=C(C)CCSc1cnccc1Cl 62a_100000730704_100009995489 [0,2,0,0,0,0|2,0,0]=4 17450 B13R1.158 C=C(C)CCSc1cnccc1Cl 62a_100009995489_100000730704 [0,2,0,0,0,0|2,0,0]=4 17451 B13R1.158 C=C(C)CCSc1ncccc1Cl 62a_100000730704_100011356963 [0,2,0,0,0,0|2,0,0]=4 17452 B13R1.158 C=C(C)CCSc1ncccc1Cl 62a_100011356963_100000730704 [0,2,0,0,0,0|2,0,0]=4 17453 B13R1.158 C=C(C)CNCc1ccccc1Br 2230a_100000689332_100000748629 [0,2,0,0,0,0|1,1,0]=4 17454 B13R1.158 C=C(C)CNCc1ccccc1Br 34a_100000689332_100000748629 [0,2,0,0,0,0|1,1,0]=4 17455 B13R1.158 C=C(C)CNCc1ccccc1C 34a_100000174972_100000748629 [0,2,0,0,0,0|2,0,0]=4 17456 B13R1.158 C=C(C)CNCc1ccccc1Cl 2230a_100000174879_100000748629 [0,2,0,0,0,0|1,0,0]=3 17457 B13R1.158 C=C(C)CNCc1ccccc1Cl 34a_100000174879_100000748629 [0,2,0,0,0,0|1,0,0]=3 17458 B13R1.158 C=C(C)CNCc1ccccc1F 34a_100000174869_100000748629 [0,2,0,0,0,0|1,1,0]=4 17459 B13R1.158 C=C(C)CNCc1ccccc1O 34a_100000185550_100000748629 [0,2,0,0,0,0|2,0,0]=4 17460 B13R1.158 C=C(C)CNCc1cccnc1Cl 2230a_100015189234_100000748629 [0,2,0,0,0,0|2,0,0]=4 17461 B13R1.158 C=C(C)CNCc1cccnc1Cl 34a_100015189234_100000748629 [0,2,0,0,0,0|2,0,0]=4 17462 B13R1.158 C=C(C)CNCc1ncccc1Cl 2230a_100015189233_100000748629 [0,2,0,0,0,0|2,0,0]=4 17463 B13R1.158 C=C(C)COCc1ccccc1Br 34a_100000210245_100000184730 [0,2,0,0,0,0|1,1,0]=4 17464 B13R1.158 C=C(C)COCc1ccccc1Br 34a_100000756307_100000748629 [0,2,0,0,0,0|1,1,0]=4 17465 B13R1.158 C=C(C)COCc1ccccc1Br 7a_100000756307_100000748629 [0,2,0,0,0,0|1,1,0]=4 17466 B13R1.158 C=C(C)COCc1ccccc1C 34a_100000210245_100000211839 [0,2,0,0,0,0|2,0,0]=4 17467 B13R1.158 C=C(C)COCc1ccccc1C 34a_100000698903_100000748629 [0,2,0,0,0,0|2,0,0]=4 17468 B13R1.158 C=C(C)COCc1ccccc1C 7a_100000698903_100000748629 [0,2,0,0,0,0|2,0,0]=4 17469 B13R1.158 C=C(C)COCc1ccccc1Cl 34a_100000210245_100000187162 [0,2,0,0,0,0|1,0,0]=3 17470 B13R1.158 C=C(C)COCc1ccccc1Cl 34a_100000210847_100000748629 [0,2,0,0,0,0|1,0,0]=3 17471 B13R1.158 C=C(C)COCc1ccccc1Cl 7a_100000210847_100000748629 [0,2,0,0,0,0|1,0,0]=3 17472 B13R1.158 C=C(C)COCc1ccccc1F 34a_100000210245_100000211605 [0,2,0,0,0,0|1,1,0]=4 17473 B13R1.158 C=C(C)COCc1ccccc1F 34a_100000211962_100000748629 [0,2,0,0,0,0|1,1,0]=4 17474 B13R1.158 C=C(C)COCc1ccccc1F 7a_100000211962_100000748629 [0,2,0,0,0,0|1,1,0]=4 17475 B13R1.158 C=C(C)COCc1ccccc1I 34a_100000187465_100000748629 [0,2,0,0,0,0|1,1,0]=4 17476 B13R1.158 C=C(C)COCc1ccccc1I 34a_100000210245_100011215278 [0,2,0,0,0,0|1,1,0]=4 17477 B13R1.158 C=C(C)COCc1ccccc1I 7a_100000187465_100000748629 [0,2,0,0,0,0|1,1,0]=4 17478 B13R1.158 C=C(C)COCc1ccccc1N 34a_100000212039_100000748629 [0,2,0,0,0,0|2,0,0]=4 17479 B13R1.158 C=C(C)COCc1cccnc1Cl 34a_100000210245_100000045678 [0,2,0,0,0,0|2,0,0]=4 17480 B13R1.158 C=C(C)COCc1cccnc1Cl 34a_100000748726_100000748629 [0,2,0,0,0,0|2,0,0]=4 17481 B13R1.158 C=C(C)COCc1cccnc1Cl 7a_100000748726_100000748629 [0,2,0,0,0,0|2,0,0]=4 17482 B13R1.158 C=C(C)COCc1cnccc1Cl 34a_100000117392_100000748629 [0,2,0,0,0,0|2,0,0]=4 17483 B13R1.158 C=C(C)COCc1ncccc1Cl 34a_100012002383_100000748629 [0,2,0,0,0,0|2,0,0]=4 17484 B13R1.158 C=C(C)CSCc1ccccc1Br 62a_100000184730_100000211660 [0,2,0,0,0,0|1,1,0]=4 17485 B13R1.158 C=C(C)CSCc1ccccc1Br 62a_100000748629_100000184730 [0,2,0,0,0,0|1,1,0]=4 17486 B13R1.158 C=C(C)CSCc1ccccc1C 62a_100000211839_100000211660 [0,2,0,0,0,0|2,0,0]=4 17487 B13R1.158 C=C(C)CSCc1ccccc1C 62a_100000748629_100000211839 [0,2,0,0,0,0|2,0,0]=4 17488 B13R1.158 C=C(C)CSCc1ccccc1Cl 62a_100000187162_100000211660 [0,2,0,0,0,0|1,0,0]=3 17489 B13R1.158 C=C(C)CSCc1ccccc1Cl 62a_100000748629_100000187162 [0,2,0,0,0,0|1,0,0]=3 17490 B13R1.158 C=C(C)CSCc1ccccc1F 62a_100000211605_100000211660 [0,2,0,0,0,0|1,1,0]=4 17491 B13R1.158 C=C(C)CSCc1ccccc1F 62a_100000748629_100000211605 [0,2,0,0,0,0|1,1,0]=4 17492 B13R1.158 C=C(C)CSCc1ccccc1I 62a_100000748629_100011216222 [0,2,0,0,0,0|1,1,0]=4 17493 B13R1.158 C=C(C)CSCc1ccccc1I 62a_100011216222_100000211660 [0,2,0,0,0,0|1,1,0]=4 17494 B13R1.158 C=C(C)CSCc1cccnc1Cl 62a_100000045678_100000211660 [0,2,0,0,0,0|2,0,0]=4 17495 B13R1.158 C=C(C)CSCc1cccnc1Cl 62a_100000748629_100000045678 [0,2,0,0,0,0|2,0,0]=4 17496 B13R1.158 C=C(C)CSCc1ccncc1Cl 62a_100000748629_100000763264 [0,2,0,0,0,0|2,0,0]=4 17497 B13R1.158 C=C(C)CSCc1ccncc1Cl 62a_100000763264_100000211660 [0,2,0,0,0,0|2,0,0]=4 17498 B13R1.158 C=C(C)CSCc1ncccc1Cl 62a_100000099807_100000211660 [0,2,0,0,0,0|2,0,0]=4 17499 B13R1.158 C=C(C)CSCc1ncccc1Cl 62a_100000748629_100000099807 [0,2,0,0,0,0|2,0,0]=4 17500 B13R1.158 C=C(F)CNCc1ccccc1Cl 2230a_100000174879_100009893438 [0,2,0,0,0,0|1,0,1]=4 17501 B13R1.158 C=C(F)CNCc1ccccc1Cl 34a_100000174879_100009893438 [0,2,0,0,0,0|1,0,1]=4 17502 B13R1.158 C=C(F)COCc1ccccc1Cl 34a_100000210847_100009893438 [0,2,0,0,0,0|1,0,1]=4 17503 B13R1.158 C=C(F)COCc1ccccc1Cl 34a_200010262243_100000187162 [0,2,0,0,0,0|1,0,1]=4 17504 B13R1.158 C=C(F)COCc1ccccc1Cl 7a_100000210847_100000042424 [0,2,0,0,0,0|1,0,1]=4 17505 B13R1.158 C=C(F)CSCc1ccccc1Cl 62a_100000042424_100000187162 [0,2,0,0,0,0|1,0,1]=4 17506 B13R1.158 C=C(F)CSCc1ccccc1Cl 62a_100000187162_100000042424 [0,2,0,0,0,0|1,0,1]=4 17507 B13R1.158 CC(=CCNc1ccccc1Cl)C 34a_100000185783_100000761012 [0,2,0,0,0,0|1,0,1]=4 17508 B13R1.158 CC(=CCOc1ccccc1Cl)C 34a_100000210172_100000761012 [0,2,0,0,0,0|1,0,1]=4 17509 B13R1.158 CC(=CCOc1ccccc1Cl)C 7a_100000210172_100000761012 [0,2,0,0,0,0|1,0,1]=4 17510 B13R1.158 CC(=CCSc1ccccc1Cl)C 62a_100000761012_100000764095 [0,2,0,0,0,0|1,0,1]=4 17511 B13R1.158 CC(=CCSc1ccccc1Cl)C 62a_100000764095_100000761012 [0,2,0,0,0,0|1,0,1]=4 17512 B13R1.158 CC(=O)CCCc1ccccc1Br 1458a_100000070787_200011713681 [0,2,0,0,0,0|1,1,0]=4 17513 B13R1.158 CC(=O)CCCc1ccccc1Cl 1458a_100000700343_200000210301 [0,2,0,0,0,0|1,0,0]=3 17514 B13R1.158 CC(=O)CCCc1ccccc1O 1458a_100009859317_200000210301 [0,2,0,0,0,0|2,0,0]=4 17515 B13R1.158 CC(=O)CCOc1ccccc1Br 1458a_100000070787_100000695877 [0,2,0,0,0,0|1,1,0]=4 17516 B13R1.158 CC(=O)CCOc1ccccc1Br 1458a_100000740817_200000210301 [0,2,0,0,0,0|1,1,0]=4 17517 B13R1.158 CC(=O)CCOc1ccccc1Br 7a_100000181306_100000053229 [0,2,0,0,0,0|1,1,0]=4 17518 B13R1.158 CC(=O)CCOc1ccccc1C 1458a_100000070787_100000184434 [0,2,0,0,0,0|2,0,0]=4 17519 B13R1.158 CC(=O)CCOc1ccccc1C 1458a_100000182324_200000210301 [0,2,0,0,0,0|2,0,0]=4 17520 B13R1.158 CC(=O)CCOc1ccccc1C 7a_100000210338_100000053229 [0,2,0,0,0,0|2,0,0]=4 17521 B13R1.158 CC(=O)CCOc1ccccc1Cl 1458a_100000240438_200000210301 [0,2,0,0,0,0|1,0,0]=3 17522 B13R1.158 CC(=O)CCOc1ccccc1Cl 7a_100000210172_100000053229 [0,2,0,0,0,0|1,0,0]=3 17523 B13R1.158 CC(=O)CCOc1ccccc1F 1458a_100000070787_100000183290 [0,2,0,0,0,0|1,1,0]=4 17524 B13R1.158 CC(=O)CCOc1ccccc1F 1458a_100000184057_200000210301 [0,2,0,0,0,0|1,1,0]=4 17525 B13R1.158 CC(=O)CCOc1ccccc1F 7a_100000210171_100000053229 [0,2,0,0,0,0|1,1,0]=4 17526 B13R1.158 CC(=O)CCOc1ccccc1I 7a_100000739446_100000053229 [0,2,0,0,0,0|1,1,0]=4 17527 B13R1.158 CC(=O)CCOc1ccccc1N 7a_100000185747_100000053229 [0,2,0,0,0,0|2,0,0]=4 17528 B13R1.158 CC(=O)CCOc1cccnc1Cl 7a_100000757616_100000053229 [0,2,0,0,0,0|2,0,0]=4 17529 B13R1.158 CC(=O)CCSc1ccccc1Br 62a_100000053229_100000695589 [0,2,0,0,0,0|1,1,0]=4 17530 B13R1.158 CC(=O)CCSc1ccccc1Br 62a_100000695589_100000053229 [0,2,0,0,0,0|1,1,0]=4 17531 B13R1.158 CC(=O)CCSc1ccccc1C 62a_100000053229_100000210755 [0,2,0,0,0,0|2,0,0]=4 17532 B13R1.158 CC(=O)CCSc1ccccc1C 62a_100000210755_100000053229 [0,2,0,0,0,0|2,0,0]=4 17533 B13R1.158 CC(=O)CCSc1ccccc1Cl 62a_100000053229_100000764095 [0,2,0,0,0,0|1,0,0]=3 17534 B13R1.158 CC(=O)CCSc1ccccc1Cl 62a_100000764095_100000053229 [0,2,0,0,0,0|1,0,0]=3 17535 B13R1.158 CC(=O)CCSc1ccccc1F 1458a_100000208832_200000210301 [0,2,0,0,0,0|1,1,0]=4 17536 B13R1.158 CC(=O)CCSc1ccccc1F 62a_100000053229_100011215700 [0,2,0,0,0,0|1,1,0]=4 17537 B13R1.158 CC(=O)CCSc1ccccc1F 62a_100011215700_100000053229 [0,2,0,0,0,0|1,1,0]=4 17538 B13R1.158 CC(=O)CCSc1ccccc1N 62a_100000053229_100000210017 [0,2,0,0,0,0|2,0,0]=4 17539 B13R1.158 CC(=O)CCSc1ccccc1N 62a_100000210017_100000053229 [0,2,0,0,0,0|2,0,0]=4 17540 B13R1.158 CC(=O)CCSc1ccccc1O 62a_100000053229_100000739446 [0,2,0,0,0,0|2,0,0]=4 17541 B13R1.158 CC(=O)CCSc1ccccc1O 62a_100000739446_100000053229 [0,2,0,0,0,0|2,0,0]=4 17542 B13R1.158 CC(=O)CCSc1cccnc1Cl 62a_100000036424_100000053229 [0,2,0,0,0,0|2,0,0]=4 17543 B13R1.158 CC(=O)CCSc1cccnc1Cl 62a_100000053229_100000036424 [0,2,0,0,0,0|2,0,0]=4 17544 B13R1.158 CC(=O)CCSc1ccncc1Cl 62a_100000053229_100000708259 [0,2,0,0,0,0|2,0,0]=4 17545 B13R1.158 CC(=O)CCSc1ccncc1Cl 62a_100000708259_100000053229 [0,2,0,0,0,0|2,0,0]=4 17546 B13R1.158 CC(=O)CCSc1cnccc1Cl 62a_100000053229_100009995489 [0,2,0,0,0,0|2,0,0]=4 17547 B13R1.158 CC(=O)CCSc1cnccc1Cl 62a_100009995489_100000053229 [0,2,0,0,0,0|2,0,0]=4 17548 B13R1.158 CC(=O)CCSc1ncccc1Cl 62a_100000053229_100011356963 [0,2,0,0,0,0|2,0,0]=4 17549 B13R1.158 CC(=O)CCSc1ncccc1Cl 62a_100011356963_100000053229 [0,2,0,0,0,0|2,0,0]=4 17550 B13R1.158 CC(=O)COCc1ccccc1Br 34a_100000211253_100000184730 [0,2,0,0,0,0|1,1,0]=4 17551 B13R1.158 CC(=O)COCc1ccccc1C 34a_100000211253_100000211839 [0,2,0,0,0,0|2,0,0]=4 17552 B13R1.158 CC(=O)COCc1ccccc1Cl 34a_100000211253_100000187162 [0,2,0,0,0,0|1,0,0]=3 17553 B13R1.158 CC(=O)COCc1ccccc1F 34a_100000211253_100000211605 [0,2,0,0,0,0|1,1,0]=4 17554 B13R1.158 CC(=O)COCc1ccccc1I 34a_100000211253_100011215278 [0,2,0,0,0,0|1,1,0]=4 17555 B13R1.158 CC(=O)COCc1cccnc1Cl 34a_100000211253_100000045678 [0,2,0,0,0,0|2,0,0]=4 17556 B13R1.158 CC(=O)CSCc1ccccc1C 1458a_100000150258_200000210301 [0,2,0,0,0,0|2,0,0]=4 17557 B13R1.158 CC(=O)CSCc1ccccc1Cl 1458a_100000150270_200000210301 [0,2,0,0,0,0|1,0,0]=3 17558 B13R1.158 CC(=O)CSCc1ccccc1F 1458a_100000150260_200000210301 [0,2,0,0,0,0|1,1,0]=4 17559 B13R1.158 CC(=O)NCCc1ccccc1Br 11a_100000747383_100015343762 [0,2,0,0,0,0|0,1,0]=3 17560 B13R1.158 CC(=O)NCCc1ccccc1Br 1626a_100000747383_100015343762 [0,2,0,0,0,0|0,1,0]=3 17561 B13R1.158 CC(=O)NCCc1ccccc1Br 240690a_100000747383_100015343762 [0,2,0,0,0,0|0,1,0]=3 17562 B13R1.158 CC(=O)NCCc1ccccc1Br 527a_100000747383_100103153847 [0,2,0,0,0,0|0,1,0]=3 17563 B13R1.158 CC(=O)NCCc1ccccc1C 11a_100000685071_100015343762 [0,2,0,0,0,0|1,0,0]=3 17564 B13R1.158 CC(=O)NCCc1ccccc1C 1626a_100000685071_100015343762 [0,2,0,0,0,0|1,0,0]=3 17565 B13R1.158 CC(=O)NCCc1ccccc1C 240690a_100000685071_100015343762 [0,2,0,0,0,0|1,0,0]=3 17566 B13R1.158 CC(=O)NCCc1ccccc1C 527a_100000685071_100103153847 [0,2,0,0,0,0|1,0,0]=3 17567 B13R1.158 CC(=O)NCCc1ccccc1Cl 11a_100011207228_100015343762 [0,2,0,0,0,0|0,0,0]=2 17568 B13R1.158 CC(=O)NCCc1ccccc1Cl 1626a_100011207228_100015343762 [0,2,0,0,0,0|0,0,0]=2 17569 B13R1.158 CC(=O)NCCc1ccccc1Cl 240690a_100011207228_100015343762 [0,2,0,0,0,0|0,0,0]=2 17570 B13R1.158 CC(=O)NCCc1ccccc1Cl 527a_100011207228_100103153847 [0,2,0,0,0,0|0,0,0]=2 17571 B13R1.158 CC(=O)NCCc1ccccc1F 11a_100000185272_100015343762 [0,2,0,0,0,0|0,1,0]=3 17572 B13R1.158 CC(=O)NCCc1ccccc1F 1626a_100000185272_100015343762 [0,2,0,0,0,0|0,1,0]=3 17573 B13R1.158 CC(=O)NCCc1ccccc1F 240690a_100000185272_100015343762 [0,2,0,0,0,0|0,1,0]=3 17574 B13R1.158 CC(=O)NCCc1ccccc1F 527a_100000185272_100103153847 [0,2,0,0,0,0|0,1,0]=3 17575 B13R1.158 CC(=O)NCCc1ccccc1O 240690a_100011207237_100015343762 [0,2,0,0,0,0|1,0,0]=3 17576 B13R1.158 CC(=O)NCCc1ccccc1O 527a_100011207237_100103153847 [0,2,0,0,0,0|1,0,0]=3 17577 B13R1.158 CC(=O)NCCn1ccccc1=O 1626a_100000687133_100015343762 [0,2,0,0,0,0|2,0,0]=4 17578 B13R1.158 CC(=O)NCCn1ccccc1=O 240690a_100000687133_100015343762 [0,2,0,0,0,0|2,0,0]=4 17579 B13R1.158 CC(=O)NCCn1ccccc1=O 527a_100000687133_100103153847 [0,2,0,0,0,0|2,0,0]=4 17580 B13R1.158 CC(=O)NN=Cc1ccccc1Cl 4a_100000189765_100000210073 [0,2,0,0,0,0|1,0,1]=4 17581 B13R1.158 CC(=O)NNCc1ccccc1Br 22a_200016993956_100000070787 [0,2,0,0,0,0|1,1,0]=4 17582 B13R1.158 CC(=O)NNCc1ccccc1C 22a_100000737298_100000070787 [0,2,0,0,0,0|2,0,0]=4 17583 B13R1.158 CC(=O)NNCc1ccccc1Cl 22a_100015187261_100000070787 [0,2,0,0,0,0|1,0,0]=3 17584 B13R1.158 CC(=O)NNCc1ccccc1F 22a_100015200773_100000070787 [0,2,0,0,0,0|1,1,0]=4 17585 B13R1.158 CC(=O)OCNc1ccccc1Cl 34a_100000185783_100009813279 [0,2,0,0,0,0|2,0,0]=4 17586 B13R1.158 CC(=O)OCOc1ccccc1Cl 34a_100000210172_100009813279 [0,2,0,0,0,0|2,0,0]=4 17587 B13R1.158 CC(=O)OCSc1ccccc1Cl 62a_100000076356_100000764095 [0,2,0,0,0,0|2,0,0]=4 17588 B13R1.158 CC(=O)OCSc1ccccc1Cl 62a_100000764095_100000076356 [0,2,0,0,0,0|2,0,0]=4 17589 B13R1.158 CC(Br)COCc1ccccc1Br 34a_100012180447_100000184730 [0,2,0,0,0,0|1,1,0]=4 17590 B13R1.158 CC(Br)COCc1ccccc1Cl 34a_100012180447_100000187162 [0,2,0,0,0,0|1,0,0]=3 17591 B13R1.158 CC(Br)COCc1ccccc1F 34a_100012180447_100000211605 [0,2,0,0,0,0|1,1,0]=4 17592 B13R1.158 CC(Br)COCc1ccccc1I 34a_100012180447_100011215278 [0,2,0,0,0,0|1,1,0]=4 17593 B13R1.158 CC(Br)COCc1cccnc1Cl 34a_100012180447_100000045678 [0,2,0,0,0,0|2,0,0]=4 17594 B13R1.158 CC(C)CC=Cc1ccccc1Cl 271570a_100016259101_100000764095 [0,2,0,0,0,0|1,0,1]=4 17595 B13R1.158 CC(C)CCNc1ccccc1Br 34a_100000210017_100000210312 [0,2,0,0,0,0|1,1,0]=4 17596 B13R1.158 CC(C)CCNc1ccccc1Cl 34a_100000185783_100000210312 [0,2,0,0,0,0|1,0,0]=3 17597 B13R1.158 CC(C)CCNc1ccccc1F 34a_100000210422_100000210312 [0,2,0,0,0,0|1,1,0]=4 17598 B13R1.158 CC(C)CCNc1ccccc1I 34a_100000210053_100000210312 [0,2,0,0,0,0|1,1,0]=4 17599 B13R1.158 CC(C)CCNc1ccccc1O 34a_100000185747_100000210312 [0,2,0,0,0,0|2,0,0]=4 17600 B13R1.158 CC(C)CCOc1ccccc1Br 34a_100000181306_100000210312 [0,2,0,0,0,0|1,1,0]=4 17601 B13R1.158 CC(C)CCOc1ccccc1Br 7a_100000181306_100000210626 [0,2,0,0,0,0|1,1,0]=4 17602 B13R1.158 CC(C)CCOc1ccccc1Cl 34a_100000210172_100000210312 [0,2,0,0,0,0|1,0,0]=3 17603 B13R1.158 CC(C)CCOc1ccccc1Cl 7a_100000210172_100000210626 [0,2,0,0,0,0|1,0,0]=3 17604 B13R1.158 CC(C)CCOc1ccccc1F 34a_100000210171_100000210312 [0,2,0,0,0,0|1,1,0]=4 17605 B13R1.158 CC(C)CCOc1ccccc1F 7a_100000210171_100000210626 [0,2,0,0,0,0|1,1,0]=4 17606 B13R1.158 CC(C)CCOc1ccccc1I 34a_100000739446_100000210312 [0,2,0,0,0,0|1,1,0]=4 17607 B13R1.158 CC(C)CCOc1ccccc1I 7a_100000739446_100000210626 [0,2,0,0,0,0|1,1,0]=4 17608 B13R1.158 CC(C)CCOc1ccccc1N 34a_100000185747_100000210312 [0,2,0,0,0,0|2,0,0]=4 17609 B13R1.158 CC(C)CCOc1ccccc1N 7a_100000185747_100000210626 [0,2,0,0,0,0|2,0,0]=4 17610 B13R1.158 CC(C)CCOc1cccnc1Cl 34a_100000757616_100000210312 [0,2,0,0,0,0|2,0,0]=4 17611 B13R1.158 CC(C)CCOc1cccnc1Cl 7a_100000757616_100000210626 [0,2,0,0,0,0|2,0,0]=4 17612 B13R1.158 CC(C)CCOc1ccncc1Cl 34a_100011997054_100000210312 [0,2,0,0,0,0|2,0,0]=4 17613 B13R1.158 CC(C)CCOc1cnccc1Cl 34a_100011996695_100000210312 [0,2,0,0,0,0|2,0,0]=4 17614 B13R1.158 CC(C)CCOc1ncccc1Cl 34a_100011290957_100000210312 [0,2,0,0,0,0|2,0,0]=4 17615 B13R1.158 CC(C)CCSc1ccccc1Br 62a_100000210312_100000695589 [0,2,0,0,0,0|1,1,0]=4 17616 B13R1.158 CC(C)CCSc1ccccc1Br 62a_100000695589_100000210312 [0,2,0,0,0,0|1,1,0]=4 17617 B13R1.158 CC(C)CCSc1ccccc1Cl 62a_100000210312_100000764095 [0,2,0,0,0,0|1,0,0]=3 17618 B13R1.158 CC(C)CCSc1ccccc1Cl 62a_100000764095_100000210312 [0,2,0,0,0,0|1,0,0]=3 17619 B13R1.158 CC(C)CCSc1ccccc1F 62a_100000210312_100011215700 [0,2,0,0,0,0|1,1,0]=4 17620 B13R1.158 CC(C)CCSc1ccccc1F 62a_100011215700_100000210312 [0,2,0,0,0,0|1,1,0]=4 17621 B13R1.158 CC(C)CCSc1ccccc1N 62a_100000210017_100000210312 [0,2,0,0,0,0|2,0,0]=4 17622 B13R1.158 CC(C)CCSc1ccccc1N 62a_100000210312_100000210017 [0,2,0,0,0,0|2,0,0]=4 17623 B13R1.158 CC(C)CCSc1ccccc1O 62a_100000210312_100000739446 [0,2,0,0,0,0|2,0,0]=4 17624 B13R1.158 CC(C)CCSc1ccccc1O 62a_100000739446_100000210312 [0,2,0,0,0,0|2,0,0]=4 17625 B13R1.158 CC(C)CCSc1cccnc1Cl 62a_100000036424_100000210312 [0,2,0,0,0,0|2,0,0]=4 17626 B13R1.158 CC(C)CCSc1cccnc1Cl 62a_100000210312_100000036424 [0,2,0,0,0,0|2,0,0]=4 17627 B13R1.158 CC(C)CCSc1ccncc1Cl 62a_100000210312_100000708259 [0,2,0,0,0,0|2,0,0]=4 17628 B13R1.158 CC(C)CCSc1ccncc1Cl 62a_100000708259_100000210312 [0,2,0,0,0,0|2,0,0]=4 17629 B13R1.158 CC(C)CCSc1cnccc1Cl 62a_100000210312_100009995489 [0,2,0,0,0,0|2,0,0]=4 17630 B13R1.158 CC(C)CCSc1cnccc1Cl 62a_100009995489_100000210312 [0,2,0,0,0,0|2,0,0]=4 17631 B13R1.158 CC(C)CCSc1ncccc1Cl 62a_100000210312_100011356963 [0,2,0,0,0,0|2,0,0]=4 17632 B13R1.158 CC(C)CCSc1ncccc1Cl 62a_100011356963_100000210312 [0,2,0,0,0,0|2,0,0]=4 17633 B13R1.158 CC(C)CNCc1ccccc1Br 207a_100000210953_100000211189 [0,2,0,0,0,0|1,1,0]=4 17634 B13R1.158 CC(C)CNCc1ccccc1Br 2230a_100000210953_100000184730 [0,2,0,0,0,0|1,1,0]=4 17635 B13R1.158 CC(C)CNCc1ccccc1Br 2230a_100000689332_100000210760 [0,2,0,0,0,0|1,1,0]=4 17636 B13R1.158 CC(C)CNCc1ccccc1Br 26a_100000210953_100000181306 [0,2,0,0,0,0|1,1,0]=4 17637 B13R1.158 CC(C)CNCc1ccccc1Br 270004a_100000210953_100000211189 [0,2,0,0,0,0|1,1,0]=4 17638 B13R1.158 CC(C)CNCc1ccccc1Br 270004a_100000689332_100000210432 [0,2,0,0,0,0|1,1,0]=4 17639 B13R1.158 CC(C)CNCc1ccccc1Br 34a_100000210953_100000184730 [0,2,0,0,0,0|1,1,0]=4 17640 B13R1.158 CC(C)CNCc1ccccc1Br 34a_100000689332_100000210624 [0,2,0,0,0,0|1,1,0]=4 17641 B13R1.158 CC(C)CNCc1ccccc1Cl 207a_100000210953_100000210073 [0,2,0,0,0,0|1,0,0]=3 17642 B13R1.158 CC(C)CNCc1ccccc1Cl 2230a_100000174879_100000210760 [0,2,0,0,0,0|1,0,0]=3 17643 B13R1.158 CC(C)CNCc1ccccc1Cl 2230a_100000210953_100000187162 [0,2,0,0,0,0|1,0,0]=3 17644 B13R1.158 CC(C)CNCc1ccccc1Cl 26a_100000210953_100000210172 [0,2,0,0,0,0|1,0,0]=3 17645 B13R1.158 CC(C)CNCc1ccccc1Cl 270004a_100000174879_100000210432 [0,2,0,0,0,0|1,0,0]=3 17646 B13R1.158 CC(C)CNCc1ccccc1Cl 270004a_100000210953_100000210073 [0,2,0,0,0,0|1,0,0]=3 17647 B13R1.158 CC(C)CNCc1ccccc1Cl 34a_100000174879_100000210624 [0,2,0,0,0,0|1,0,0]=3 17648 B13R1.158 CC(C)CNCc1ccccc1Cl 34a_100000210953_100000187162 [0,2,0,0,0,0|1,0,0]=3 17649 B13R1.158 CC(C)CNCc1ccccc1F 207a_100000210953_100000210811 [0,2,0,0,0,0|1,1,0]=4 17650 B13R1.158 CC(C)CNCc1ccccc1F 2230a_100000210953_100000211605 [0,2,0,0,0,0|1,1,0]=4 17651 B13R1.158 CC(C)CNCc1ccccc1F 270004a_100000174869_100000210432 [0,2,0,0,0,0|1,1,0]=4 17652 B13R1.158 CC(C)CNCc1ccccc1F 270004a_100000210953_100000210811 [0,2,0,0,0,0|1,1,0]=4 17653 B13R1.158 CC(C)CNCc1ccccc1F 34a_100000174869_100000210624 [0,2,0,0,0,0|1,1,0]=4 17654 B13R1.158 CC(C)CNCc1ccccc1F 34a_100000210953_100000211605 [0,2,0,0,0,0|1,1,0]=4 17655 B13R1.158 CC(C)CNCc1ccccc1I 207a_100000210953_100000010305 [0,2,0,0,0,0|1,1,0]=4 17656 B13R1.158 CC(C)CNCc1ccccc1I 2230a_100000210953_100011215278 [0,2,0,0,0,0|1,1,0]=4 17657 B13R1.158 CC(C)CNCc1ccccc1I 270004a_100000210953_100000010305 [0,2,0,0,0,0|1,1,0]=4 17658 B13R1.158 CC(C)CNCc1ccccc1I 270004a_100015347259_100000210432 [0,2,0,0,0,0|1,1,0]=4 17659 B13R1.158 CC(C)CNCc1ccccc1I 34a_100000210953_100011215278 [0,2,0,0,0,0|1,1,0]=4 17660 B13R1.158 CC(C)CNCc1ccccc1O 270004a_100000185550_100000210432 [0,2,0,0,0,0|2,0,0]=4 17661 B13R1.158 CC(C)CNCc1ccccc1O 34a_100000185550_100000210624 [0,2,0,0,0,0|2,0,0]=4 17662 B13R1.158 CC(C)CNCc1cccnc1Cl 2230a_100000210953_100000045678 [0,2,0,0,0,0|2,0,0]=4 17663 B13R1.158 CC(C)CNCc1cccnc1Cl 2230a_100015189234_100000210760 [0,2,0,0,0,0|2,0,0]=4 17664 B13R1.158 CC(C)CNCc1cccnc1Cl 34a_100000210953_100000045678 [0,2,0,0,0,0|2,0,0]=4 17665 B13R1.158 CC(C)CNCc1cccnc1Cl 34a_100015189234_100000210624 [0,2,0,0,0,0|2,0,0]=4 17666 B13R1.158 CC(C)CNCc1ccncc1Cl 207a_100000210953_100011934409 [0,2,0,0,0,0|2,0,0]=4 17667 B13R1.158 CC(C)CNCc1ccncc1Cl 2230a_100000210953_100000763264 [0,2,0,0,0,0|2,0,0]=4 17668 B13R1.158 CC(C)CNCc1ccncc1Cl 270004a_100000210953_100011934409 [0,2,0,0,0,0|2,0,0]=4 17669 B13R1.158 CC(C)CNCc1cnccc1Cl 270004a_100000210953_100000050567 [0,2,0,0,0,0|2,0,0]=4 17670 B13R1.158 CC(C)CNCc1ncccc1Cl 207a_100000210953_100012001307 [0,2,0,0,0,0|2,0,0]=4 17671 B13R1.158 CC(C)CNCc1ncccc1Cl 2230a_100000210953_100000099807 [0,2,0,0,0,0|2,0,0]=4 17672 B13R1.158 CC(C)CNCc1ncccc1Cl 2230a_100015189233_100000210760 [0,2,0,0,0,0|2,0,0]=4 17673 B13R1.158 CC(C)CNCc1ncccc1Cl 270004a_100000210953_100012001307 [0,2,0,0,0,0|2,0,0]=4 17674 B13R1.158 CC(C)CNCc1ncccc1Cl 270004a_100015189233_100000210432 [0,2,0,0,0,0|2,0,0]=4 17675 B13R1.158 CC(C)COCc1ccccc1Br 34a_100000210257_100000184730 [0,2,0,0,0,0|1,1,0]=4 17676 B13R1.158 CC(C)COCc1ccccc1Br 34a_100000756307_100000210624 [0,2,0,0,0,0|1,1,0]=4 17677 B13R1.158 CC(C)COCc1ccccc1Br 7a_100000756307_100000210760 [0,2,0,0,0,0|1,1,0]=4 17678 B13R1.158 CC(C)COCc1ccccc1Cl 34a_100000210257_100000187162 [0,2,0,0,0,0|1,0,0]=3 17679 B13R1.158 CC(C)COCc1ccccc1Cl 34a_100000210847_100000210624 [0,2,0,0,0,0|1,0,0]=3 17680 B13R1.158 CC(C)COCc1ccccc1Cl 7a_100000210847_100000210760 [0,2,0,0,0,0|1,0,0]=3 17681 B13R1.158 CC(C)COCc1ccccc1F 34a_100000210257_100000211605 [0,2,0,0,0,0|1,1,0]=4 17682 B13R1.158 CC(C)COCc1ccccc1F 34a_100000211962_100000210624 [0,2,0,0,0,0|1,1,0]=4 17683 B13R1.158 CC(C)COCc1ccccc1F 7a_100000211962_100000210760 [0,2,0,0,0,0|1,1,0]=4 17684 B13R1.158 CC(C)COCc1ccccc1I 34a_100000187465_100000210624 [0,2,0,0,0,0|1,1,0]=4 17685 B13R1.158 CC(C)COCc1ccccc1I 34a_100000210257_100011215278 [0,2,0,0,0,0|1,1,0]=4 17686 B13R1.158 CC(C)COCc1ccccc1I 7a_100000187465_100000210760 [0,2,0,0,0,0|1,1,0]=4 17687 B13R1.158 CC(C)COCc1ccccc1N 34a_100000212039_100000210624 [0,2,0,0,0,0|2,0,0]=4 17688 B13R1.158 CC(C)COCc1cccnc1Cl 34a_100000210257_100000045678 [0,2,0,0,0,0|2,0,0]=4 17689 B13R1.158 CC(C)COCc1cccnc1Cl 34a_100000748726_100000210624 [0,2,0,0,0,0|2,0,0]=4 17690 B13R1.158 CC(C)COCc1cccnc1Cl 7a_100000748726_100000210760 [0,2,0,0,0,0|2,0,0]=4 17691 B13R1.158 CC(C)COCc1cnccc1Cl 34a_100000117392_100000210624 [0,2,0,0,0,0|2,0,0]=4 17692 B13R1.158 CC(C)COCc1ncccc1Cl 34a_100012002383_100000210624 [0,2,0,0,0,0|2,0,0]=4 17693 B13R1.158 CC(C)CSCc1ccccc1Br 62a_100000184730_100000210760 [0,2,0,0,0,0|1,1,0]=4 17694 B13R1.158 CC(C)CSCc1ccccc1Br 62a_100000210624_100000184730 [0,2,0,0,0,0|1,1,0]=4 17695 B13R1.158 CC(C)CSCc1ccccc1Cl 62a_100000187162_100000210760 [0,2,0,0,0,0|1,0,0]=3 17696 B13R1.158 CC(C)CSCc1ccccc1Cl 62a_100000210624_100000187162 [0,2,0,0,0,0|1,0,0]=3 17697 B13R1.158 CC(C)CSCc1ccccc1F 62a_100000210624_100000211605 [0,2,0,0,0,0|1,1,0]=4 17698 B13R1.158 CC(C)CSCc1ccccc1F 62a_100000211605_100000210760 [0,2,0,0,0,0|1,1,0]=4 17699 B13R1.158 CC(C)CSCc1ccccc1I 62a_100000210624_100011216222 [0,2,0,0,0,0|1,1,0]=4 17700 B13R1.158 CC(C)CSCc1ccccc1I 62a_100011216222_100000210760 [0,2,0,0,0,0|1,1,0]=4 17701 B13R1.158 CC(C)CSCc1cccnc1Cl 62a_100000045678_100000210760 [0,2,0,0,0,0|2,0,0]=4 17702 B13R1.158 CC(C)CSCc1cccnc1Cl 62a_100000210624_100000045678 [0,2,0,0,0,0|2,0,0]=4 17703 B13R1.158 CC(C)CSCc1ccncc1Cl 62a_100000210624_100000763264 [0,2,0,0,0,0|2,0,0]=4 17704 B13R1.158 CC(C)CSCc1ccncc1Cl 62a_100000763264_100000210760 [0,2,0,0,0,0|2,0,0]=4 17705 B13R1.158 CC(C)CSCc1ncccc1Cl 62a_100000099807_100000210760 [0,2,0,0,0,0|2,0,0]=4 17706 B13R1.158 CC(C)CSCc1ncccc1Cl 62a_100000210624_100000099807 [0,2,0,0,0,0|2,0,0]=4 17707 B13R1.158 CC(C)NCCc1ccccc1Br 2230a_100000747383_100000210206 [0,2,0,0,0,0|0,1,0]=3 17708 B13R1.158 CC(C)NCCc1ccccc1Br 2230a_100138425928_100012161201 [0,2,0,0,0,0|0,1,0]=3 17709 B13R1.158 CC(C)NCCc1ccccc1Br 34a_100000747383_100000210206 [0,2,0,0,0,0|0,1,0]=3 17710 B13R1.158 CC(C)NCCc1ccccc1Br 34a_100138425928_100012161201 [0,2,0,0,0,0|0,1,0]=3 17711 B13R1.158 CC(C)NCCc1ccccc1Cl 2230a_100011207228_100000210206 [0,2,0,0,0,0|0,0,0]=2 17712 B13R1.158 CC(C)NCCc1ccccc1Cl 2230a_100138425928_100011713703 [0,2,0,0,0,0|0,0,0]=2 17713 B13R1.158 CC(C)NCCc1ccccc1Cl 34a_100011207228_100000210206 [0,2,0,0,0,0|0,0,0]=2 17714 B13R1.158 CC(C)NCCc1ccccc1Cl 34a_100138425928_100011713703 [0,2,0,0,0,0|0,0,0]=2 17715 B13R1.158 CC(C)NCCc1ccccc1F 2230a_100000185272_100000210206 [0,2,0,0,0,0|0,1,0]=3 17716 B13R1.158 CC(C)NCCc1ccccc1F 2230a_100138425928_100011713696 [0,2,0,0,0,0|0,1,0]=3 17717 B13R1.158 CC(C)NCCc1ccccc1F 34a_100000185272_100000210206 [0,2,0,0,0,0|0,1,0]=3 17718 B13R1.158 CC(C)NCCc1ccccc1F 34a_100138425928_100000720011 [0,2,0,0,0,0|0,1,0]=3 17719 B13R1.158 CC(C)NCCc1ccccc1O 34a_100011207237_100000210206 [0,2,0,0,0,0|1,0,0]=3 17720 B13R1.158 CC(C)NCCc1ccccc1O 34a_100138425928_100000722297 [0,2,0,0,0,0|1,0,0]=3 17721 B13R1.158 CC(C)NCCn1ccccc1=O 2230a_100000687133_100000210206 [0,2,0,0,0,0|2,0,0]=4 17722 B13R1.158 CC(C)NN=Cc1ccccc1Cl 4a_100000741168_100000210073 [0,2,0,0,0,0|1,0,1]=4 17723 B13R1.158 CC(C)OCCc1ccccc1Br 34a_100000212225_100012161201 [0,2,0,0,0,0|1,1,0]=4 17724 B13R1.158 CC(C)OCCc1ccccc1Br 34a_100000731337_100000210206 [0,2,0,0,0,0|1,1,0]=4 17725 B13R1.158 CC(C)OCCc1ccccc1Br 7a_100000731337_100000210206 [0,2,0,0,0,0|1,1,0]=4 17726 B13R1.158 CC(C)OCCc1ccccc1Cl 34a_100000212225_100011713703 [0,2,0,0,0,0|1,0,0]=3 17727 B13R1.158 CC(C)OCCc1ccccc1Cl 34a_100011215284_100000210206 [0,2,0,0,0,0|1,0,0]=3 17728 B13R1.158 CC(C)OCCc1ccccc1Cl 7a_100011215284_100000210206 [0,2,0,0,0,0|1,0,0]=3 17729 B13R1.158 CC(C)OCCc1ccccc1F 34a_100000212225_100000720011 [0,2,0,0,0,0|1,1,0]=4 17730 B13R1.158 CC(C)OCCc1ccccc1F 34a_100000753711_100000210206 [0,2,0,0,0,0|1,1,0]=4 17731 B13R1.158 CC(C)OCCc1ccccc1F 7a_100000753711_100000210206 [0,2,0,0,0,0|1,1,0]=4 17732 B13R1.158 CC(C)OCCc1ccccc1I 34a_100010255290_100000210206 [0,2,0,0,0,0|1,1,0]=4 17733 B13R1.158 CC(C)OCCc1ccccc1I 7a_100010255290_100000210206 [0,2,0,0,0,0|1,1,0]=4 17734 B13R1.158 CC(C)OCCc1ccccc1N 34a_100011215289_100000210206 [0,2,0,0,0,0|2,0,0]=4 17735 B13R1.158 CC(C)OCCc1ccccc1O 34a_100000212225_100000722297 [0,2,0,0,0,0|2,0,0]=4 17736 B13R1.158 CC(C)OCNc1ccccc1Cl 34a_100000185783_100000709892 [0,2,0,0,0,0|2,0,0]=4 17737 B13R1.158 CC(C)OCOc1ccccc1Cl 34a_100000210172_100000709892 [0,2,0,0,0,0|2,0,0]=4 17738 B13R1.158 CC(C)OCSc1ccccc1Cl 62a_100000709892_100000764095 [0,2,0,0,0,0|2,0,0]=4 17739 B13R1.158 CC(C)OCSc1ccccc1Cl 62a_100000764095_100000709892 [0,2,0,0,0,0|2,0,0]=4 17740 B13R1.158 CC(C)SCCc1ccccc1Br 62a_100000210206_100012161201 [0,2,0,0,0,0|1,1,0]=4 17741 B13R1.158 CC(C)SCCc1ccccc1Br 62a_100012161201_100000210206 [0,2,0,0,0,0|1,1,0]=4 17742 B13R1.158 CC(C)SCCc1ccccc1Cl 62a_100000210206_100011713703 [0,2,0,0,0,0|1,0,0]=3 17743 B13R1.158 CC(C)SCCc1ccccc1Cl 62a_100011713703_100000210206 [0,2,0,0,0,0|1,0,0]=3 17744 B13R1.158 CC(C)SCCc1ccccc1F 62a_100000210206_100011713696 [0,2,0,0,0,0|1,1,0]=4 17745 B13R1.158 CC(C)SCCc1ccccc1F 62a_100011713696_100000210206 [0,2,0,0,0,0|1,1,0]=4 17746 B13R1.158 CC(C)SCCc1ccccc1O 62a_100000210206_100000722297 [0,2,0,0,0,0|2,0,0]=4 17747 B13R1.158 CC(C)SCCc1ccccc1O 62a_100000722297_100000210206 [0,2,0,0,0,0|2,0,0]=4 17748 B13R1.158 CC(F)COCc1ccccc1Br 34a_100015925927_100000184730 [0,2,0,0,0,0|1,1,0]=4 17749 B13R1.158 CC(F)COCc1ccccc1Cl 34a_100015925927_100000187162 [0,2,0,0,0,0|1,0,0]=3 17750 B13R1.158 CC(F)COCc1ccccc1F 34a_100015925927_100000211605 [0,2,0,0,0,0|1,1,0]=4 17751 B13R1.158 CC(F)COCc1ccccc1I 34a_100015925927_100011215278 [0,2,0,0,0,0|1,1,0]=4 17752 B13R1.158 CC(F)COCc1cccnc1Cl 34a_100015925927_100000045678 [0,2,0,0,0,0|2,0,0]=4 17753 B13R1.158 CC(O)CCNc1ccccc1Br 34a_100000210017_100012276601 [0,2,0,0,0,0|1,1,0]=4 17754 B13R1.158 CC(O)CCNc1ccccc1Cl 34a_100000185783_100012276601 [0,2,0,0,0,0|1,0,0]=3 17755 B13R1.158 CC(O)CCNc1ccccc1F 34a_100000210422_100012276601 [0,2,0,0,0,0|1,1,0]=4 17756 B13R1.158 CC(O)CCNc1ccccc1I 34a_100000210053_100012276601 [0,2,0,0,0,0|1,1,0]=4 17757 B13R1.158 CC(O)CCNc1ccccc1O 34a_100000185747_100012276601 [0,2,0,0,0,0|2,0,0]=4 17758 B13R1.158 CC(O)CCOc1ccccc1Br 34a_100000181306_100012276601 [0,2,0,0,0,0|1,1,0]=4 17759 B13R1.158 CC(O)CCOc1ccccc1Br 7a_100000181306_100012276601 [0,2,0,0,0,0|1,1,0]=4 17760 B13R1.158 CC(O)CCOc1ccccc1Cl 34a_100000210172_100012276601 [0,2,0,0,0,0|1,0,0]=3 17761 B13R1.158 CC(O)CCOc1ccccc1Cl 7a_100000210172_100012276601 [0,2,0,0,0,0|1,0,0]=3 17762 B13R1.158 CC(O)CCOc1ccccc1F 34a_100000210171_100012276601 [0,2,0,0,0,0|1,1,0]=4 17763 B13R1.158 CC(O)CCOc1ccccc1F 7a_100000210171_100012276601 [0,2,0,0,0,0|1,1,0]=4 17764 B13R1.158 CC(O)CCOc1ccccc1I 34a_100000739446_100012276601 [0,2,0,0,0,0|1,1,0]=4 17765 B13R1.158 CC(O)CCOc1ccccc1I 7a_100000739446_100012276601 [0,2,0,0,0,0|1,1,0]=4 17766 B13R1.158 CC(O)CCOc1ccccc1N 34a_100000185747_100012276601 [0,2,0,0,0,0|2,0,0]=4 17767 B13R1.158 CC(O)CCOc1ccccc1N 7a_100000185747_100012276601 [0,2,0,0,0,0|2,0,0]=4 17768 B13R1.158 CC(O)CCOc1cccnc1Cl 34a_100000757616_100012276601 [0,2,0,0,0,0|2,0,0]=4 17769 B13R1.158 CC(O)CCOc1cccnc1Cl 7a_100000757616_100012276601 [0,2,0,0,0,0|2,0,0]=4 17770 B13R1.158 CC(O)CCOc1ccncc1Cl 34a_100011997054_100012276601 [0,2,0,0,0,0|2,0,0]=4 17771 B13R1.158 CC(O)CCOc1cnccc1Cl 34a_100011996695_100012276601 [0,2,0,0,0,0|2,0,0]=4 17772 B13R1.158 CC(O)CCOc1ncccc1Cl 34a_100011290957_100012276601 [0,2,0,0,0,0|2,0,0]=4 17773 B13R1.158 CC(O)CCSc1ccccc1Br 62a_100000695589_100012276601 [0,2,0,0,0,0|1,1,0]=4 17774 B13R1.158 CC(O)CCSc1ccccc1Br 62a_100012276601_100000695589 [0,2,0,0,0,0|1,1,0]=4 17775 B13R1.158 CC(O)CCSc1ccccc1Cl 62a_100000764095_100012276601 [0,2,0,0,0,0|1,0,0]=3 17776 B13R1.158 CC(O)CCSc1ccccc1Cl 62a_100012276601_100000764095 [0,2,0,0,0,0|1,0,0]=3 17777 B13R1.158 CC(O)CCSc1ccccc1F 62a_100011215700_100012276601 [0,2,0,0,0,0|1,1,0]=4 17778 B13R1.158 CC(O)CCSc1ccccc1F 62a_100012276601_100011215700 [0,2,0,0,0,0|1,1,0]=4 17779 B13R1.158 CC(O)CCSc1ccccc1N 62a_100000210017_100012276601 [0,2,0,0,0,0|2,0,0]=4 17780 B13R1.158 CC(O)CCSc1ccccc1N 62a_100012276601_100000210017 [0,2,0,0,0,0|2,0,0]=4 17781 B13R1.158 CC(O)CCSc1ccccc1O 62a_100000739446_100012276601 [0,2,0,0,0,0|2,0,0]=4 17782 B13R1.158 CC(O)CCSc1ccccc1O 62a_100012276601_100000739446 [0,2,0,0,0,0|2,0,0]=4 17783 B13R1.158 CC(O)CCSc1cccnc1Cl 62a_100000036424_100012276601 [0,2,0,0,0,0|2,0,0]=4 17784 B13R1.158 CC(O)CCSc1cccnc1Cl 62a_100012276601_100000036424 [0,2,0,0,0,0|2,0,0]=4 17785 B13R1.158 CC(O)CCSc1ccncc1Cl 62a_100000708259_100012276601 [0,2,0,0,0,0|2,0,0]=4 17786 B13R1.158 CC(O)CCSc1ccncc1Cl 62a_100012276601_100000708259 [0,2,0,0,0,0|2,0,0]=4 17787 B13R1.158 CC(O)CCSc1cnccc1Cl 62a_100009995489_100012276601 [0,2,0,0,0,0|2,0,0]=4 17788 B13R1.158 CC(O)CCSc1cnccc1Cl 62a_100012276601_100009995489 [0,2,0,0,0,0|2,0,0]=4 17789 B13R1.158 CC(O)CCSc1ncccc1Cl 62a_100011356963_100012276601 [0,2,0,0,0,0|2,0,0]=4 17790 B13R1.158 CC(O)CCSc1ncccc1Cl 62a_100012276601_100011356963 [0,2,0,0,0,0|2,0,0]=4 17791 B13R1.158 CC(O)CNCc1ccccc1Br 207a_100000210904_100000211189 [0,2,0,0,0,0|1,1,0]=4 17792 B13R1.158 CC(O)CNCc1ccccc1Br 2230a_100000210904_100000184730 [0,2,0,0,0,0|1,1,0]=4 17793 B13R1.158 CC(O)CNCc1ccccc1Br 2230a_100000689332_100011218427 [0,2,0,0,0,0|1,1,0]=4 17794 B13R1.158 CC(O)CNCc1ccccc1Br 270004a_100000210904_100000211189 [0,2,0,0,0,0|1,1,0]=4 17795 B13R1.158 CC(O)CNCc1ccccc1Br 34a_100000210904_100000184730 [0,2,0,0,0,0|1,1,0]=4 17796 B13R1.158 CC(O)CNCc1ccccc1Br 34a_100000689332_100011218427 [0,2,0,0,0,0|1,1,0]=4 17797 B13R1.158 CC(O)CNCc1ccccc1Cl 207a_100000210904_100000210073 [0,2,0,0,0,0|1,0,0]=3 17798 B13R1.158 CC(O)CNCc1ccccc1Cl 2230a_100000174879_100011218427 [0,2,0,0,0,0|1,0,0]=3 17799 B13R1.158 CC(O)CNCc1ccccc1Cl 2230a_100000210904_100000187162 [0,2,0,0,0,0|1,0,0]=3 17800 B13R1.158 CC(O)CNCc1ccccc1Cl 270004a_100000210904_100000210073 [0,2,0,0,0,0|1,0,0]=3 17801 B13R1.158 CC(O)CNCc1ccccc1Cl 34a_100000174879_100011218427 [0,2,0,0,0,0|1,0,0]=3 17802 B13R1.158 CC(O)CNCc1ccccc1Cl 34a_100000210904_100000187162 [0,2,0,0,0,0|1,0,0]=3 17803 B13R1.158 CC(O)CNCc1ccccc1F 207a_100000210904_100000210811 [0,2,0,0,0,0|1,1,0]=4 17804 B13R1.158 CC(O)CNCc1ccccc1F 2230a_100000210904_100000211605 [0,2,0,0,0,0|1,1,0]=4 17805 B13R1.158 CC(O)CNCc1ccccc1F 270004a_100000210904_100000210811 [0,2,0,0,0,0|1,1,0]=4 17806 B13R1.158 CC(O)CNCc1ccccc1F 34a_100000174869_100011218427 [0,2,0,0,0,0|1,1,0]=4 17807 B13R1.158 CC(O)CNCc1ccccc1F 34a_100000210904_100000211605 [0,2,0,0,0,0|1,1,0]=4 17808 B13R1.158 CC(O)CNCc1ccccc1I 207a_100000210904_100000010305 [0,2,0,0,0,0|1,1,0]=4 17809 B13R1.158 CC(O)CNCc1ccccc1I 2230a_100000210904_100011215278 [0,2,0,0,0,0|1,1,0]=4 17810 B13R1.158 CC(O)CNCc1ccccc1I 270004a_100000210904_100000010305 [0,2,0,0,0,0|1,1,0]=4 17811 B13R1.158 CC(O)CNCc1ccccc1I 34a_100000210904_100011215278 [0,2,0,0,0,0|1,1,0]=4 17812 B13R1.158 CC(O)CNCc1ccccc1O 34a_100000185550_100011218427 [0,2,0,0,0,0|2,0,0]=4 17813 B13R1.158 CC(O)CNCc1cccnc1Cl 2230a_100000210904_100000045678 [0,2,0,0,0,0|2,0,0]=4 17814 B13R1.158 CC(O)CNCc1cccnc1Cl 2230a_100015189234_100011218427 [0,2,0,0,0,0|2,0,0]=4 17815 B13R1.158 CC(O)CNCc1cccnc1Cl 34a_100000210904_100000045678 [0,2,0,0,0,0|2,0,0]=4 17816 B13R1.158 CC(O)CNCc1cccnc1Cl 34a_100015189234_100011218427 [0,2,0,0,0,0|2,0,0]=4 17817 B13R1.158 CC(O)CNCc1ccncc1Cl 207a_100000210904_100011934409 [0,2,0,0,0,0|2,0,0]=4 17818 B13R1.158 CC(O)CNCc1ccncc1Cl 2230a_100000210904_100000763264 [0,2,0,0,0,0|2,0,0]=4 17819 B13R1.158 CC(O)CNCc1ccncc1Cl 270004a_100000210904_100011934409 [0,2,0,0,0,0|2,0,0]=4 17820 B13R1.158 CC(O)CNCc1cnccc1Cl 270004a_100000210904_100000050567 [0,2,0,0,0,0|2,0,0]=4 17821 B13R1.158 CC(O)CNCc1ncccc1Cl 207a_100000210904_100012001307 [0,2,0,0,0,0|2,0,0]=4 17822 B13R1.158 CC(O)CNCc1ncccc1Cl 2230a_100000210904_100000099807 [0,2,0,0,0,0|2,0,0]=4 17823 B13R1.158 CC(O)CNCc1ncccc1Cl 2230a_100015189233_100011218427 [0,2,0,0,0,0|2,0,0]=4 17824 B13R1.158 CC(O)CNCc1ncccc1Cl 270004a_100000210904_100012001307 [0,2,0,0,0,0|2,0,0]=4 17825 B13R1.158 CC(O)COCc1ccccc1Br 34a_100000756307_100011218427 [0,2,0,0,0,0|1,1,0]=4 17826 B13R1.158 CC(O)COCc1ccccc1Br 7a_100000756307_100011218427 [0,2,0,0,0,0|1,1,0]=4 17827 B13R1.158 CC(O)COCc1ccccc1Cl 34a_100000210847_100011218427 [0,2,0,0,0,0|1,0,0]=3 17828 B13R1.158 CC(O)COCc1ccccc1Cl 7a_100000210847_100011218427 [0,2,0,0,0,0|1,0,0]=3 17829 B13R1.158 CC(O)COCc1ccccc1F 34a_100000211962_100011218427 [0,2,0,0,0,0|1,1,0]=4 17830 B13R1.158 CC(O)COCc1ccccc1F 7a_100000211962_100011218427 [0,2,0,0,0,0|1,1,0]=4 17831 B13R1.158 CC(O)COCc1ccccc1I 34a_100000187465_100011218427 [0,2,0,0,0,0|1,1,0]=4 17832 B13R1.158 CC(O)COCc1ccccc1I 7a_100000187465_100011218427 [0,2,0,0,0,0|1,1,0]=4 17833 B13R1.158 CC(O)COCc1ccccc1N 34a_100000212039_100011218427 [0,2,0,0,0,0|2,0,0]=4 17834 B13R1.158 CC(O)COCc1cccnc1Cl 34a_100000748726_100011218427 [0,2,0,0,0,0|2,0,0]=4 17835 B13R1.158 CC(O)COCc1cccnc1Cl 7a_100000748726_100011218427 [0,2,0,0,0,0|2,0,0]=4 17836 B13R1.158 CC(O)COCc1cnccc1Cl 34a_100000117392_100011218427 [0,2,0,0,0,0|2,0,0]=4 17837 B13R1.158 CC(O)COCc1ncccc1Cl 34a_100012002383_100011218427 [0,2,0,0,0,0|2,0,0]=4 17838 B13R1.158 CC(O)CSCc1ccccc1Br 62a_100000184730_100011218427 [0,2,0,0,0,0|1,1,0]=4 17839 B13R1.158 CC(O)CSCc1ccccc1Br 62a_100011218427_100000184730 [0,2,0,0,0,0|1,1,0]=4 17840 B13R1.158 CC(O)CSCc1ccccc1Cl 62a_100000187162_100011218427 [0,2,0,0,0,0|1,0,0]=3 17841 B13R1.158 CC(O)CSCc1ccccc1Cl 62a_100011218427_100000187162 [0,2,0,0,0,0|1,0,0]=3 17842 B13R1.158 CC(O)CSCc1ccccc1F 62a_100000211605_100011218427 [0,2,0,0,0,0|1,1,0]=4 17843 B13R1.158 CC(O)CSCc1ccccc1F 62a_100011218427_100000211605 [0,2,0,0,0,0|1,1,0]=4 17844 B13R1.158 CC(O)CSCc1ccccc1I 62a_100011216222_100011218427 [0,2,0,0,0,0|1,1,0]=4 17845 B13R1.158 CC(O)CSCc1ccccc1I 62a_100011218427_100011216222 [0,2,0,0,0,0|1,1,0]=4 17846 B13R1.158 CC(O)CSCc1cccnc1Cl 62a_100000045678_100011218427 [0,2,0,0,0,0|2,0,0]=4 17847 B13R1.158 CC(O)CSCc1cccnc1Cl 62a_100011218427_100000045678 [0,2,0,0,0,0|2,0,0]=4 17848 B13R1.158 CC(O)CSCc1ccncc1Cl 62a_100000763264_100011218427 [0,2,0,0,0,0|2,0,0]=4 17849 B13R1.158 CC(O)CSCc1ccncc1Cl 62a_100011218427_100000763264 [0,2,0,0,0,0|2,0,0]=4 17850 B13R1.158 CC(O)CSCc1ncccc1Cl 62a_100000099807_100011218427 [0,2,0,0,0,0|2,0,0]=4 17851 B13R1.158 CC(O)CSCc1ncccc1Cl 62a_100011218427_100000099807 [0,2,0,0,0,0|2,0,0]=4 17852 B13R1.158 CN(C)CC#Cc1ccccc1Br 2230a_100102631434_100010706765 [0,2,0,0,0,0|0,1,1]=4 17853 B13R1.158 CN(C)CC#Cc1ccccc1Br 269982a_100102631434_100010706765 [0,2,0,0,0,0|0,1,1]=4 17854 B13R1.158 CN(C)CC#Cc1ccccc1F 2230a_100102631434_100010404167 [0,2,0,0,0,0|0,1,1]=4 17855 B13R1.158 CN(C)CC#Cc1ccccc1F 269982a_100102631434_100010404167 [0,2,0,0,0,0|0,1,1]=4 17856 B13R1.158 CN(C)CC=Cc1ccccc1Br 270004a_100102631434_200016268969 [0,2,0,0,0,0|0,1,1]=4 17857 B13R1.158 CN(C)CC=Cc1ccccc1Cl 270004a_100102631434_200102525841 [0,2,0,0,0,0|0,0,1]=3 17858 B13R1.158 CN(C)CC=Cc1ccccc1F 270004a_100102631434_200102525844 [0,2,0,0,0,0|0,1,1]=4 17859 B13R1.158 CN(C)CCCc1ccccc1Br 2230a_100102631434_200011713681 [0,2,0,0,0,0|0,1,0]=3 17860 B13R1.158 CN(C)CCCc1ccccc1Br 269982a_100102631434_200011713681 [0,2,0,0,0,0|0,1,0]=3 17861 B13R1.158 CN(C)CCNc1ccncc1Br 27a_100000210585_100000726257 [0,2,0,0,0,0|1,1,0]=4 17862 B13R1.158 CN(C)CCNc1ccncc1F 27a_100000210585_100000035921 [0,2,0,0,0,0|1,1,0]=4 17863 B13R1.158 CN(C)CCNc1ncccc1Br 27a_100000210585_100000696092 [0,2,0,0,0,0|1,1,0]=4 17864 B13R1.158 CN(C)CCOc1cccc[n+]1[O-] 7a_100000211761_100000755713 [0,2,0,0,0,0|2,0,0]=4 17865 B13R1.158 CN(C)CCOc1ccccc1Br 2230a_100102631434_100000695877 [0,2,0,0,0,0|0,1,0]=3 17866 B13R1.158 CN(C)CCOc1ccccc1Br 269982a_100102631434_100000695877 [0,2,0,0,0,0|0,1,0]=3 17867 B13R1.158 CN(C)CCOc1ccccc1Br 7a_100000181306_100000755713 [0,2,0,0,0,0|0,1,0]=3 17868 B13R1.158 CN(C)CCOc1ccccc1Cl 7a_100000210172_100000755713 [0,2,0,0,0,0|0,0,0]=2 17869 B13R1.158 CN(C)CCOc1ccccc1F 2230a_100102631434_100000183290 [0,2,0,0,0,0|0,1,0]=3 17870 B13R1.158 CN(C)CCOc1ccccc1F 269982a_100102631434_100000183290 [0,2,0,0,0,0|0,1,0]=3 17871 B13R1.158 CN(C)CCOc1ccccc1F 7a_100000210171_100000755713 [0,2,0,0,0,0|0,1,0]=3 17872 B13R1.158 CN(C)CCOc1ccccc1I 7a_100000739446_100000755713 [0,2,0,0,0,0|0,1,0]=3 17873 B13R1.158 CN(C)CCOc1ccccc1N 7a_100000185747_100000755713 [0,2,0,0,0,0|1,0,0]=3 17874 B13R1.158 CN(C)CCOc1ccccc1O 271570a_203496583355_100102946404 [0,2,0,0,0,0|1,0,0]=3 17875 B13R1.158 CN(C)CCOc1cccnc1Br 7a_100000744436_100000755713 [0,2,0,0,0,0|1,1,0]=4 17876 B13R1.158 CN(C)CCOc1cccnc1Cl 7a_100000757616_100000755713 [0,2,0,0,0,0|1,0,0]=3 17877 B13R1.158 CN(C)CCOc1cccnc1F 7a_100000061740_100000755713 [0,2,0,0,0,0|1,1,0]=4 17878 B13R1.158 CN(C)CCOc1cccnc1I 7a_100000034122_100000755713 [0,2,0,0,0,0|1,1,0]=4 17879 B13R1.158 CN(C)CCOc1cccnc1N 7a_100000211975_100000755713 [0,2,0,0,0,0|2,0,0]=4 17880 B13R1.158 CN(C)CCOc1cccoc1=O 7a_100000077404_100000755713 [0,2,0,0,0,0|2,0,0]=4 17881 B13R1.158 CN(C)CCSc1c[nH]ccc1=O 62a_100009998708_100000755713 [0,2,0,0,0,0|2,0,0]=4 17882 B13R1.158 CN(C)CCSc1c[nH]ccc1=S 62a_200012280681_100000755713 [0,2,0,0,0,0|2,0,0]=4 17883 B13R1.158 CN(C)CCSc1ccccc1Br 62a_100000695589_100000755713 [0,2,0,0,0,0|0,1,0]=3 17884 B13R1.158 CN(C)CCSc1ccccc1Cl 62a_100000764095_100000755713 [0,2,0,0,0,0|0,0,0]=2 17885 B13R1.158 CN(C)CCSc1ccccc1F 62a_100011215700_100000755713 [0,2,0,0,0,0|0,1,0]=3 17886 B13R1.158 CN(C)CCSc1ccccc1N 62a_100000210017_100000755713 [0,2,0,0,0,0|1,0,0]=3 17887 B13R1.158 CN(C)CCSc1ccccc1O 62a_100000739446_100000755713 [0,2,0,0,0,0|1,0,0]=3 17888 B13R1.158 CN(C)CCSc1cccnc1Br 62a_100010202626_100000755713 [0,2,0,0,0,0|1,1,0]=4 17889 B13R1.158 CN(C)CCSc1cccnc1Cl 62a_100000036424_100000755713 [0,2,0,0,0,0|1,0,0]=3 17890 B13R1.158 CN(C)CCSc1cccnc1F 62a_100009816115_100000755713 [0,2,0,0,0,0|1,1,0]=4 17891 B13R1.158 CN(C)CCSc1cccnc1N 62a_100000045569_100000755713 [0,2,0,0,0,0|2,0,0]=4 17892 B13R1.158 CN(C)CCSc1cccnc1O 62a_100000760158_100000755713 [0,2,0,0,0,0|2,0,0]=4 17893 B13R1.158 CN(C)CCSc1ccncc1Br 62a_100000726257_100000755713 [0,2,0,0,0,0|1,1,0]=4 17894 B13R1.158 CN(C)CCSc1ccncc1Cl 62a_100000708259_100000755713 [0,2,0,0,0,0|1,0,0]=3 17895 B13R1.158 CN(C)CCSc1ccncc1F 62a_100000047030_100000755713 [0,2,0,0,0,0|1,1,0]=4 17896 B13R1.158 CN(C)CCSc1ccncc1N 62a_100000756074_100000755713 [0,2,0,0,0,0|2,0,0]=4 17897 B13R1.158 CN(C)CCSc1ccncc1O 62a_100009817591_100000755713 [0,2,0,0,0,0|2,0,0]=4 17898 B13R1.158 CN(C)CCSc1cnccc1Br 62a_100010138639_100000755713 [0,2,0,0,0,0|1,1,0]=4 17899 B13R1.158 CN(C)CCSc1cnccc1Cl 62a_100009995489_100000755713 [0,2,0,0,0,0|1,0,0]=3 17900 B13R1.158 CN(C)CCSc1cnccc1F 62a_100009820683_100000755713 [0,2,0,0,0,0|1,1,0]=4 17901 B13R1.158 CN(C)CCSc1cnccc1N 62a_100000047001_100000755713 [0,2,0,0,0,0|2,0,0]=4 17902 B13R1.158 CN(C)CCSc1cncnc1Cl 62a_100000758962_100000755713 [0,2,0,0,0,0|2,0,0]=4 17903 B13R1.158 CN(C)CCSc1ncccc1Br 62a_100000696092_100000755713 [0,2,0,0,0,0|1,1,0]=4 17904 B13R1.158 CN(C)CCSc1ncccc1Cl 62a_100011356963_100000755713 [0,2,0,0,0,0|1,0,0]=3 17905 B13R1.158 CN(C)CCSc1ncccc1F 62a_100000685392_100000755713 [0,2,0,0,0,0|1,1,0]=4 17906 B13R1.158 CN(C)CCSc1ncccc1N 62a_100000688686_100000755713 [0,2,0,0,0,0|2,0,0]=4 17907 B13R1.158 CN(C)CCSc1ncccc1O 62a_100000034122_100000755713 [0,2,0,0,0,0|2,0,0]=4 17908 B13R1.158 CN(C)CCSc1nccnc1Cl 62a_100010886584_100000755713 [0,2,0,0,0,0|2,0,0]=4 17909 B13R1.158 C[C@@H](Cl)COCc1ccccc1Br 34a_100016084084_100000184730 [0,2,0,0,0,0|1,1,0]=4 17910 B13R1.158 C[C@@H](Cl)COCc1ccccc1Cl 34a_100016084084_100000187162 [0,2,0,0,0,0|1,0,0]=3 17911 B13R1.158 C[C@@H](Cl)COCc1ccccc1F 34a_100016084084_100000211605 [0,2,0,0,0,0|1,1,0]=4 17912 B13R1.158 C[C@@H](Cl)COCc1ccccc1I 34a_100016084084_100011215278 [0,2,0,0,0,0|1,1,0]=4 17913 B13R1.158 C[C@@H](Cl)COCc1cccnc1Cl 34a_100016084084_100000045678 [0,2,0,0,0,0|2,0,0]=4 17914 B13R1.158 C[C@@H](N)COCc1ccccc1Br 34a_100000737577_100000184730 [0,2,0,0,0,0|1,1,0]=4 17915 B13R1.158 C[C@@H](N)COCc1ccccc1Cl 34a_100000737577_100000187162 [0,2,0,0,0,0|1,0,0]=3 17916 B13R1.158 C[C@@H](N)COCc1ccccc1F 34a_100000737577_100000211605 [0,2,0,0,0,0|1,1,0]=4 17917 B13R1.158 C[C@@H](N)COCc1ccccc1I 34a_100000737577_100011215278 [0,2,0,0,0,0|1,1,0]=4 17918 B13R1.158 C[C@@H](N)COCc1cccnc1Cl 34a_100000737577_100000045678 [0,2,0,0,0,0|2,0,0]=4 17919 B13R1.158 C[C@@H](O)CNCc1ccccc1Br 2230a_100000689332_100009817552 [0,2,0,0,0,0|1,1,0]=4 17920 B13R1.158 C[C@@H](O)CNCc1ccccc1Br 34a_100000689332_100009817552 [0,2,0,0,0,0|1,1,0]=4 17921 B13R1.158 C[C@@H](O)CNCc1ccccc1Cl 2230a_100000174879_100009817552 [0,2,0,0,0,0|1,0,0]=3 17922 B13R1.158 C[C@@H](O)CNCc1ccccc1Cl 34a_100000174879_100009817552 [0,2,0,0,0,0|1,0,0]=3 17923 B13R1.158 C[C@@H](O)CNCc1ccccc1F 34a_100000174869_100009817552 [0,2,0,0,0,0|1,1,0]=4 17924 B13R1.158 C[C@@H](O)CNCc1ccccc1O 34a_100000185550_100009817552 [0,2,0,0,0,0|2,0,0]=4 17925 B13R1.158 C[C@@H](O)CNCc1cccnc1Cl 2230a_100015189234_100009817552 [0,2,0,0,0,0|2,0,0]=4 17926 B13R1.158 C[C@@H](O)CNCc1cccnc1Cl 34a_100015189234_100009817552 [0,2,0,0,0,0|2,0,0]=4 17927 B13R1.158 C[C@@H](O)CNCc1ncccc1Cl 2230a_100015189233_100009817552 [0,2,0,0,0,0|2,0,0]=4 17928 B13R1.158 C[C@@H](O)COCc1ccccc1Br 34a_100000756307_100009817552 [0,2,0,0,0,0|1,1,0]=4 17929 B13R1.158 C[C@@H](O)COCc1ccccc1Br 7a_100000756307_100009817552 [0,2,0,0,0,0|1,1,0]=4 17930 B13R1.158 C[C@@H](O)COCc1ccccc1Cl 34a_100000210847_100009817552 [0,2,0,0,0,0|1,0,0]=3 17931 B13R1.158 C[C@@H](O)COCc1ccccc1Cl 7a_100000210847_100009817552 [0,2,0,0,0,0|1,0,0]=3 17932 B13R1.158 C[C@@H](O)COCc1ccccc1F 34a_100000211962_100009817552 [0,2,0,0,0,0|1,1,0]=4 17933 B13R1.158 C[C@@H](O)COCc1ccccc1F 7a_100000211962_100009817552 [0,2,0,0,0,0|1,1,0]=4 17934 B13R1.158 C[C@@H](O)COCc1ccccc1I 34a_100000187465_100009817552 [0,2,0,0,0,0|1,1,0]=4 17935 B13R1.158 C[C@@H](O)COCc1ccccc1I 7a_100000187465_100009817552 [0,2,0,0,0,0|1,1,0]=4 17936 B13R1.158 C[C@@H](O)COCc1ccccc1N 34a_100000212039_100009817552 [0,2,0,0,0,0|2,0,0]=4 17937 B13R1.158 C[C@@H](O)COCc1cccnc1Cl 34a_100000748726_100009817552 [0,2,0,0,0,0|2,0,0]=4 17938 B13R1.158 C[C@@H](O)COCc1cccnc1Cl 7a_100000748726_100009817552 [0,2,0,0,0,0|2,0,0]=4 17939 B13R1.158 C[C@@H](O)COCc1cnccc1Cl 34a_100000117392_100009817552 [0,2,0,0,0,0|2,0,0]=4 17940 B13R1.158 C[C@@H](O)COCc1ncccc1Cl 34a_100012002383_100009817552 [0,2,0,0,0,0|2,0,0]=4 17941 B13R1.158 C[C@@H](O)CSCc1ccccc1Br 62a_100000184730_100009817552 [0,2,0,0,0,0|1,1,0]=4 17942 B13R1.158 C[C@@H](O)CSCc1ccccc1Br 62a_100009817552_100000184730 [0,2,0,0,0,0|1,1,0]=4 17943 B13R1.158 C[C@@H](O)CSCc1ccccc1Cl 62a_100000187162_100009817552 [0,2,0,0,0,0|1,0,0]=3 17944 B13R1.158 C[C@@H](O)CSCc1ccccc1Cl 62a_100009817552_100000187162 [0,2,0,0,0,0|1,0,0]=3 17945 B13R1.158 C[C@@H](O)CSCc1ccccc1F 62a_100000211605_100009817552 [0,2,0,0,0,0|1,1,0]=4 17946 B13R1.158 C[C@@H](O)CSCc1ccccc1F 62a_100009817552_100000211605 [0,2,0,0,0,0|1,1,0]=4 17947 B13R1.158 C[C@@H](O)CSCc1ccccc1I 62a_100009817552_100011216222 [0,2,0,0,0,0|1,1,0]=4 17948 B13R1.158 C[C@@H](O)CSCc1ccccc1I 62a_100011216222_100009817552 [0,2,0,0,0,0|1,1,0]=4 17949 B13R1.158 C[C@@H](O)CSCc1cccnc1Cl 62a_100000045678_100009817552 [0,2,0,0,0,0|2,0,0]=4 17950 B13R1.158 C[C@@H](O)CSCc1cccnc1Cl 62a_100009817552_100000045678 [0,2,0,0,0,0|2,0,0]=4 17951 B13R1.158 C[C@@H](O)CSCc1ccncc1Cl 62a_100000763264_100009817552 [0,2,0,0,0,0|2,0,0]=4 17952 B13R1.158 C[C@@H](O)CSCc1ccncc1Cl 62a_100009817552_100000763264 [0,2,0,0,0,0|2,0,0]=4 17953 B13R1.158 C[C@@H](O)CSCc1ncccc1Cl 62a_100000099807_100009817552 [0,2,0,0,0,0|2,0,0]=4 17954 B13R1.158 C[C@@H](O)CSCc1ncccc1Cl 62a_100009817552_100000099807 [0,2,0,0,0,0|2,0,0]=4 17955 B13R1.158 Cc1ccccc1CCNC(C)C 2230a_100000685071_100000210206 [0,2,0,0,0,0|1,0,0]=3 17956 B13R1.158 Cc1ccccc1CCNC(C)C 2230a_100138425928_100011713688 [0,2,0,0,0,0|1,0,0]=3 17957 B13R1.158 Cc1ccccc1CCNC(C)C 34a_100000685071_100000210206 [0,2,0,0,0,0|1,0,0]=3 17958 B13R1.158 Cc1ccccc1CCNC(C)C 34a_100138425928_100011713688 [0,2,0,0,0,0|1,0,0]=3 17959 B13R1.158 Cc1ccccc1CCOC(C)C 34a_100000212225_100011713688 [0,2,0,0,0,0|2,0,0]=4 17960 B13R1.158 Cc1ccccc1CCOC(C)C 34a_100011220023_100000210206 [0,2,0,0,0,0|2,0,0]=4 17961 B13R1.158 Cc1ccccc1CCOC(C)C 7a_100011220023_100000210206 [0,2,0,0,0,0|2,0,0]=4 17962 B13R1.158 Cc1ccccc1CCSC(C)C 62a_100000210206_100011713688 [0,2,0,0,0,0|2,0,0]=4 17963 B13R1.158 Cc1ccccc1CCSC(C)C 62a_100011713688_100000210206 [0,2,0,0,0,0|2,0,0]=4 17964 B13R1.158 Cc1ccccc1CNCC(C)C 207a_100000210953_100000211143 [0,2,0,0,0,0|2,0,0]=4 17965 B13R1.158 Cc1ccccc1CNCC(C)C 2230a_100000210953_100000211839 [0,2,0,0,0,0|2,0,0]=4 17966 B13R1.158 Cc1ccccc1CNCC(C)C 270004a_100000174972_100000210432 [0,2,0,0,0,0|2,0,0]=4 17967 B13R1.158 Cc1ccccc1CNCC(C)C 270004a_100000210953_100000211143 [0,2,0,0,0,0|2,0,0]=4 17968 B13R1.158 Cc1ccccc1CNCC(C)C 34a_100000174972_100000210624 [0,2,0,0,0,0|2,0,0]=4 17969 B13R1.158 Cc1ccccc1CNCC(C)C 34a_100000210953_100000211839 [0,2,0,0,0,0|2,0,0]=4 17970 B13R1.158 Cc1ccccc1CNCC(C)O 207a_100000210904_100000211143 [0,2,0,0,0,0|2,0,0]=4 17971 B13R1.158 Cc1ccccc1CNCC(C)O 2230a_100000210904_100000211839 [0,2,0,0,0,0|2,0,0]=4 17972 B13R1.158 Cc1ccccc1CNCC(C)O 270004a_100000210904_100000211143 [0,2,0,0,0,0|2,0,0]=4 17973 B13R1.158 Cc1ccccc1CNCC(C)O 34a_100000174972_100011218427 [0,2,0,0,0,0|2,0,0]=4 17974 B13R1.158 Cc1ccccc1CNCC(C)O 34a_100000210904_100000211839 [0,2,0,0,0,0|2,0,0]=4 17975 B13R1.158 Cc1ccccc1CNC[C@@H](C)O 34a_100000174972_100009817552 [0,2,0,0,0,0|2,0,0]=4 17976 B13R1.158 Cc1ccccc1COCC(C)Br 34a_100012180447_100000211839 [0,2,0,0,0,0|2,0,0]=4 17977 B13R1.158 Cc1ccccc1COCC(C)C 34a_100000210257_100000211839 [0,2,0,0,0,0|2,0,0]=4 17978 B13R1.158 Cc1ccccc1COCC(C)C 34a_100000698903_100000210624 [0,2,0,0,0,0|2,0,0]=4 17979 B13R1.158 Cc1ccccc1COCC(C)C 7a_100000698903_100000210760 [0,2,0,0,0,0|2,0,0]=4 17980 B13R1.158 Cc1ccccc1COCC(C)F 34a_100015925927_100000211839 [0,2,0,0,0,0|2,0,0]=4 17981 B13R1.158 Cc1ccccc1COCC(C)O 34a_100000698903_100011218427 [0,2,0,0,0,0|2,0,0]=4 17982 B13R1.158 Cc1ccccc1COCC(C)O 7a_100000698903_100011218427 [0,2,0,0,0,0|2,0,0]=4 17983 B13R1.158 Cc1ccccc1COC[C@@H](C)Cl 34a_100016084084_100000211839 [0,2,0,0,0,0|2,0,0]=4 17984 B13R1.158 Cc1ccccc1COC[C@@H](C)N 34a_100000737577_100000211839 [0,2,0,0,0,0|2,0,0]=4 17985 B13R1.158 Cc1ccccc1COC[C@@H](C)O 34a_100000698903_100009817552 [0,2,0,0,0,0|2,0,0]=4 17986 B13R1.158 Cc1ccccc1COC[C@@H](C)O 7a_100000698903_100009817552 [0,2,0,0,0,0|2,0,0]=4 17987 B13R1.158 Cc1ccccc1CSCC(=O)[13CH3] 1458a_100000150258_200025704644 [0,2,0,0,0,0|2,0,0]=4 17988 B13R1.158 Cc1ccccc1CSCC(C)C 62a_100000210624_100000211839 [0,2,0,0,0,0|2,0,0]=4 17989 B13R1.158 Cc1ccccc1CSCC(C)C 62a_100000211839_100000210760 [0,2,0,0,0,0|2,0,0]=4 17990 B13R1.158 Cc1ccccc1CSCC(C)O 62a_100000211839_100011218427 [0,2,0,0,0,0|2,0,0]=4 17991 B13R1.158 Cc1ccccc1CSCC(C)O 62a_100011218427_100000211839 [0,2,0,0,0,0|2,0,0]=4 17992 B13R1.158 Cc1ccccc1CSC[C@@H](C)O 62a_100000211839_100009817552 [0,2,0,0,0,0|2,0,0]=4 17993 B13R1.158 Cc1ccccc1CSC[C@@H](C)O 62a_100009817552_100000211839 [0,2,0,0,0,0|2,0,0]=4 17994 B13R1.158 Cc1ccccc1NCCC(C)C 34a_100015192222_100000210312 [0,2,0,0,0,0|2,0,0]=4 17995 B13R1.158 Cc1ccccc1NCCC(C)O 34a_100015192222_100012276601 [0,2,0,0,0,0|2,0,0]=4 17996 B13R1.158 Cc1ccccc1OCCC(=O)[13CH3] 1458a_100000182324_200025704644 [0,2,0,0,0,0|2,0,0]=4 17997 B13R1.158 Cc1ccccc1OCCC(C)C 34a_100000210338_100000210312 [0,2,0,0,0,0|2,0,0]=4 17998 B13R1.158 Cc1ccccc1OCCC(C)C 7a_100000210338_100000210626 [0,2,0,0,0,0|2,0,0]=4 17999 B13R1.158 Cc1ccccc1OCCC(C)O 34a_100000210338_100012276601 [0,2,0,0,0,0|2,0,0]=4 18000 B13R1.158 Cc1ccccc1OCCC(C)O 7a_100000210338_100012276601 [0,2,0,0,0,0|2,0,0]=4 18001 B13R1.158 Cc1ccccc1OCCN(C)C 2230a_100102631434_100000184434 [0,2,0,0,0,0|1,0,0]=3 18002 B13R1.158 Cc1ccccc1OCCN(C)C 269982a_100102631434_100000184434 [0,2,0,0,0,0|1,0,0]=3 18003 B13R1.158 Cc1ccccc1OCCN(C)C 7a_100000210338_100000755713 [0,2,0,0,0,0|1,0,0]=3 18004 B13R1.158 Cc1ccccc1SCCC(C)C 62a_100000210312_100000210755 [0,2,0,0,0,0|2,0,0]=4 18005 B13R1.158 Cc1ccccc1SCCC(C)C 62a_100000210755_100000210312 [0,2,0,0,0,0|2,0,0]=4 18006 B13R1.158 Cc1ccccc1SCCC(C)O 62a_100000210755_100012276601 [0,2,0,0,0,0|2,0,0]=4 18007 B13R1.158 Cc1ccccc1SCCC(C)O 62a_100012276601_100000210755 [0,2,0,0,0,0|2,0,0]=4 18008 B13R1.158 Cc1ccccc1SCCN(C)C 62a_100000210755_100000755713 [0,2,0,0,0,0|1,0,0]=3 18009 B13R1.158 Cc1cccnc1SCCN(C)C 62a_100000751373_100000755713 [0,2,0,0,0,0|2,0,0]=4 18010 B13R1.158 Cc1ccncc1OCCN(C)C 7a_100011997053_100000755713 [0,2,0,0,0,0|2,0,0]=4 18011 B13R1.158 Cc1ccncc1SCCN(C)C 62a_100000761580_100000755713 [0,2,0,0,0,0|2,0,0]=4 18012 B13R1.158 Cc1cnccc1NCCN(C)C 27a_100000210585_100000765111 [0,2,0,0,0,0|2,0,0]=4 18013 B13R1.158 Cc1cnccc1SCCN(C)C 62a_100000765111_100000755713 [0,2,0,0,0,0|2,0,0]=4 18014 B13R1.158 Cc1ncccc1OCCN(C)C 7a_100000745507_100000755713 [0,2,0,0,0,0|2,0,0]=4 18015 B13R1.158 Cc1ncccc1SCCN(C)C 62a_100000751574_100000755713 [0,2,0,0,0,0|2,0,0]=4 18016 B13R1.158 FC(F)CNCc1ccccc1Cl 207a_100000765723_100000210073 [0,2,0,0,0,0|2,0,0]=4 18017 B13R1.158 FC(F)CNCc1ccccc1Cl 2230a_100000174879_100011934356 [0,2,0,0,0,0|2,0,0]=4 18018 B13R1.158 FC(F)CNCc1ccccc1Cl 270004a_100000765723_100000210073 [0,2,0,0,0,0|2,0,0]=4 18019 B13R1.158 FC(F)CNCc1ccccc1Cl 34a_100000174879_100011934356 [0,2,0,0,0,0|2,0,0]=4 18020 B13R1.158 FC(F)CNCc1ccccc1Cl 34a_100000765723_100000187162 [0,2,0,0,0,0|2,0,0]=4 18021 B13R1.158 FC(F)COCc1ccccc1Cl 34a_100000210847_100011934356 [0,2,0,0,0,0|2,0,0]=4 18022 B13R1.158 FC(F)COCc1ccccc1Cl 34a_100000743014_100000187162 [0,2,0,0,0,0|2,0,0]=4 18023 B13R1.158 FC(F)COCc1ccccc1Cl 7a_100000210847_100011934356 [0,2,0,0,0,0|2,0,0]=4 18024 B13R1.158 FC(F)CSCc1ccccc1Cl 62a_100000187162_100011934356 [0,2,0,0,0,0|2,0,0]=4 18025 B13R1.158 FC(F)CSCc1ccccc1Cl 62a_100011934356_100000187162 [0,2,0,0,0,0|2,0,0]=4 18026 B13R1.158 NC(=O)CCNc1ccccc1Cl 34a_100000185783_100000731001 [0,2,0,0,0,0|2,0,0]=4 18027 B13R1.158 NC(=O)CCOc1ccccc1Cl 34a_100000210172_100000731001 [0,2,0,0,0,0|2,0,0]=4 18028 B13R1.158 NC(=O)CCOc1ccccc1Cl 7a_100000210172_100000744528 [0,2,0,0,0,0|2,0,0]=4 18029 B13R1.158 NC(=O)CCSc1ccccc1Cl 62a_100000744528_100000764095 [0,2,0,0,0,0|2,0,0]=4 18030 B13R1.158 NC(=O)CCSc1ccccc1Cl 62a_100000764095_100000744528 [0,2,0,0,0,0|2,0,0]=4 18031 B13R1.158 NC(=O)CNCc1ccccc1Cl 2230a_100000174879_100000747473 [0,2,0,0,0,0|2,0,0]=4 18032 B13R1.158 NC(=O)CNCc1ccccc1Cl 2230a_100000711301_100000187162 [0,2,0,0,0,0|2,0,0]=4 18033 B13R1.158 NC(=O)CNCc1ccccc1Cl 34a_100000174879_100000187820 [0,2,0,0,0,0|2,0,0]=4 18034 B13R1.158 NC(=O)COCc1ccccc1Cl 34a_100000210847_100000187820 [0,2,0,0,0,0|2,0,0]=4 18035 B13R1.158 NC(=O)COCc1ccccc1Cl 7a_100000210847_100000187820 [0,2,0,0,0,0|2,0,0]=4 18036 B13R1.158 NC(=O)CSCc1ccccc1Cl 62a_100000187162_100000747473 [0,2,0,0,0,0|2,0,0]=4 18037 B13R1.158 NC(=O)CSCc1ccccc1Cl 62a_100000747473_100000187162 [0,2,0,0,0,0|2,0,0]=4 18038 B13R1.158 O=C(O)CNCc1ccccc1Cl 269956a_100016091260_100000187162 [0,2,0,0,0,0|2,0,0]=4 18039 B13R1.158 O=C([O-])CNCc1ccccc1Cl 34a_100000174879_100020667443 [0,2,0,0,0,0|2,0,0]=4 18040 B13R1.158 O=C([O-])COCc1ccccc1Cl 34a_100000210847_100020667443 [0,2,0,0,0,0|2,0,0]=4 18041 B13R1.158 O=C([O-])CSCc1ccccc1Cl 62a_100000187162_100020667443 [0,2,0,0,0,0|2,0,0]=4 18042 B13R1.158 O=C([O-])CSCc1ccccc1Cl 62a_100020667443_100000187162 [0,2,0,0,0,0|2,0,0]=4 18043 B13R1.158 O=[N+]([O-])CNCc1ccccc1Cl 34a_100000174879_100000761209 [0,2,0,0,0,0|1,0,1]=4 18044 B13R1.158 O=[N+]([O-])COCc1ccccc1Cl 34a_100000210847_100000761209 [0,2,0,0,0,0|1,0,1]=4 18045 B13R1.158 O=[N+]([O-])CSCc1ccccc1Cl 62a_100000187162_100000761209 [0,2,0,0,0,0|1,0,1]=4 18046 B13R1.158 [13CH3]C(=O)CCCc1ccccc1Cl 1458a_100000700343_200025704644 [0,2,0,0,0,0|1,0,0]=3 18047 B13R1.158 [13CH3]C(=O)CCCc1ccccc1O 1458a_100009859317_200025704644 [0,2,0,0,0,0|2,0,0]=4 18048 B13R1.158 [13CH3]C(=O)CCOc1ccccc1Br 1458a_100000740817_200025704644 [0,2,0,0,0,0|1,1,0]=4 18049 B13R1.158 [13CH3]C(=O)CCOc1ccccc1Cl 1458a_100000240438_200025704644 [0,2,0,0,0,0|1,0,0]=3 18050 B13R1.158 [13CH3]C(=O)CCOc1ccccc1F 1458a_100000184057_200025704644 [0,2,0,0,0,0|1,1,0]=4 18051 B13R1.158 [13CH3]C(=O)CCSc1ccccc1F 1458a_100000208832_200025704644 [0,2,0,0,0,0|1,1,0]=4 18052 B13R1.158 [13CH3]C(=O)CSCc1ccccc1Cl 1458a_100000150270_200025704644 [0,2,0,0,0,0|1,0,0]=3 18053 B13R1.158 [13CH3]C(=O)CSCc1ccccc1F 1458a_100000150260_200025704644 [0,2,0,0,0,0|1,1,0]=4 18054 B13R1.470 C#CCC(=O)Cc1ccccc1Cl 1458a_100000183793_100000184674 [0,2,0,0,0,0|1,0,1]=4 18055 B13R1.470 C#CCC(=O)Cc1ccccc1Cl 1458a_100011220946_100000187162 [0,2,0,0,0,0|1,0,1]=4 18056 B13R1.470 C#CCN(C)Cc1ccccc1Cl 2230a_100000184507_100000038162 [0,2,0,0,0,0|1,0,1]=4 18057 B13R1.470 C#CCN(C)Cc1ccccc1Cl 2230a_100000225692_100000187162 [0,2,0,0,0,0|1,0,1]=4 18058 B13R1.470 C#CCN(C)Cc1ccccc1Cl 2230a_100000746241_200000210301 [0,2,0,0,0,0|1,0,1]=4 18059 B13R1.470 C#CCN(C)Cc1ccccc1Cl 269982a_100000746241_200000210301 [0,2,0,0,0,0|1,0,1]=4 18060 B13R1.470 C#CCN(C)Cc1ccccc1Cl 26a_100000225692_100000210172 [0,2,0,0,0,0|1,0,1]=4 18061 B13R1.470 C#CCN(C)Cc1ccccc1Cl 270004a_100000225692_100000210073 [0,2,0,0,0,0|1,0,1]=4 18062 B13R1.470 C#CCN(C)Cc1ccccc1Cl 34a_100000225692_100000187162 [0,2,0,0,0,0|1,0,1]=4 18063 B13R1.470 C#CCN(C)Cc1ccccc1Cl 34a_100000746241_200000210301 [0,2,0,0,0,0|1,0,1]=4 18064 B13R1.470 C#CCN([13CH3])Cc1ccccc1Cl 2230a_100000746241_200025704644 [0,2,0,0,0,0|1,0,1]=4 18065 B13R1.470 C#CCN([13CH3])Cc1ccccc1Cl 269982a_100000746241_200025704644 [0,2,0,0,0,0|1,0,1]=4 18066 B13R1.470 C#CCN([13CH3])Cc1ccccc1Cl 34a_100000746241_200025704644 [0,2,0,0,0,0|1,0,1]=4 18067 B13R1.470 C=CCC(=O)Cc1ccccc1Cl 1458a_100000183793_100000210623 [0,2,0,0,0,0|1,0,1]=4 18068 B13R1.470 C=CCC(=O)Cc1ccccc1Cl 1458a_100000210193_100000187162 [0,2,0,0,0,0|1,0,1]=4 18069 B13R1.470 C=CCN(C)Cc1ccccc1Cl 2230a_100000184507_100000210623 [0,2,0,0,0,0|1,0,1]=4 18070 B13R1.470 C=CCN(C)Cc1ccccc1Cl 2230a_100000225617_100000187162 [0,2,0,0,0,0|1,0,1]=4 18071 B13R1.470 C=CCN(C)Cc1ccccc1Cl 2230a_200015185268_200000210301 [0,2,0,0,0,0|1,0,1]=4 18072 B13R1.470 C=CCN(C)Cc1ccccc1Cl 269982a_100000184507_100000210623 [0,2,0,0,0,0|1,0,1]=4 18073 B13R1.470 C=CCN(C)Cc1ccccc1Cl 269982a_100000225617_100000187162 [0,2,0,0,0,0|1,0,1]=4 18074 B13R1.470 C=CCN(C)Cc1ccccc1Cl 269982a_200015185268_200000210301 [0,2,0,0,0,0|1,0,1]=4 18075 B13R1.470 C=CCN(C)Cc1ccccc1Cl 26a_100000225617_100000210172 [0,2,0,0,0,0|1,0,1]=4 18076 B13R1.470 C=CCN(C)Cc1ccccc1Cl 270004a_100000225617_100000210073 [0,2,0,0,0,0|1,0,1]=4 18077 B13R1.470 C=CCN(C)Cc1ccccc1Cl 34a_200015185268_200000210301 [0,2,0,0,0,0|1,0,1]=4 18078 B13R1.470 C=CCN([13CH3])Cc1ccccc1Cl 2230a_200015185268_200025704644 [0,2,0,0,0,0|1,0,1]=4 18079 B13R1.470 C=CCN([13CH3])Cc1ccccc1Cl 269982a_200015185268_200025704644 [0,2,0,0,0,0|1,0,1]=4 18080 B13R1.470 C=CCN([13CH3])Cc1ccccc1Cl 34a_200015185268_200025704644 [0,2,0,0,0,0|1,0,1]=4 18081 B13R1.470 CC#CC(=O)Cc1ccccc1Cl 1458a_100000763181_100000187162 [0,2,0,0,0,0|1,0,1]=4 18082 B13R1.470 CC(CC#N)Oc1ccccc1Cl 7a_100000210172_100009813641 [0,2,0,0,0,0|2,0,0]=4 18083 B13R1.470 CC(CC#N)Sc1ccccc1Cl 62a_100000764095_100009813641 [0,2,0,0,0,0|2,0,0]=4 18084 B13R1.470 CC(CC#N)Sc1ccccc1Cl 62a_100009813641_100000764095 [0,2,0,0,0,0|2,0,0]=4 18085 B13R1.470 CC(CCO)Nc1ccccc1Cl 34a_100000185783_100009893172 [0,2,0,0,0,0|2,0,0]=4 18086 B13R1.470 CC(CCO)Oc1ccccc1Cl 34a_100000210172_100009893172 [0,2,0,0,0,0|2,0,0]=4 18087 B13R1.470 CC(CCO)Oc1ccccc1Cl 7a_100000210172_100009893172 [0,2,0,0,0,0|2,0,0]=4 18088 B13R1.470 CC(CCO)Sc1ccccc1Cl 62a_100000764095_100009893172 [0,2,0,0,0,0|2,0,0]=4 18089 B13R1.470 CC(CCO)Sc1ccccc1Cl 62a_100009893172_100000764095 [0,2,0,0,0,0|2,0,0]=4 18090 B13R1.470 CC(CN[13CH3])Oc1ccccc1Cl 2230a_100000763343_200025704644 [0,2,0,0,0,0|0,0,0]=2 18091 B13R1.470 CC(CN[13CH3])Oc1ccccc1Cl 34a_100000763343_200025704644 [0,2,0,0,0,0|0,0,0]=2 18092 B13R1.470 CC=CC(=O)Cc1ccccc1Cl 1458a_100000210699_100000187162 [0,2,0,0,0,0|1,0,1]=4 18093 B13R1.470 CCCC(=O)Cc1ccccc1Br 1458a_100000211992_100000184730 [0,2,0,0,0,0|1,1,0]=4 18094 B13R1.470 CCCC(=O)Cc1ccccc1Br 1458a_100000751119_100000210303 [0,2,0,0,0,0|1,1,0]=4 18095 B13R1.470 CCCC(=O)Cc1ccccc1C 1458a_100000211992_100000211839 [0,2,0,0,0,0|2,0,0]=4 18096 B13R1.470 CCCC(=O)Cc1ccccc1C 1458a_100000212180_100000210303 [0,2,0,0,0,0|2,0,0]=4 18097 B13R1.470 CCCC(=O)Cc1ccccc1Cl 1458a_100000183793_100000210303 [0,2,0,0,0,0|1,0,0]=3 18098 B13R1.470 CCCC(=O)Cc1ccccc1Cl 1458a_100000211992_100000187162 [0,2,0,0,0,0|1,0,0]=3 18099 B13R1.470 CCCC(=O)Cc1ccccc1F 1458a_100000211992_100000187165 [0,2,0,0,0,0|1,1,0]=4 18100 B13R1.470 CCCC(=O)Cc1ccccc1F 1458a_100000212012_100000210303 [0,2,0,0,0,0|1,1,0]=4 18101 B13R1.470 CCCC(=O)Cc1ccccc1I 1458a_100000036491_100000210303 [0,2,0,0,0,0|1,1,0]=4 18102 B13R1.470 CCCC(=O)Cc1ccccc1I 1458a_100000211992_100011216222 [0,2,0,0,0,0|1,1,0]=4 18103 B13R1.470 CCCC(=O)Cc1ccccc1O 1458a_100000743006_100000210303 [0,2,0,0,0,0|2,0,0]=4 18104 B13R1.470 CCCC(=O)Cc1cccnc1Cl 1458a_100000093521_100000210303 [0,2,0,0,0,0|2,0,0]=4 18105 B13R1.470 CCCC(=O)Cc1cccnc1Cl 1458a_100000211992_100000045678 [0,2,0,0,0,0|2,0,0]=4 18106 B13R1.470 CCCC(=O)Cc1ccncc1Cl 1458a_100000211992_100000763264 [0,2,0,0,0,0|2,0,0]=4 18107 B13R1.470 CCCC(=O)Cc1ncccc1Cl 1458a_100000211992_100000099807 [0,2,0,0,0,0|2,0,0]=4 18108 B13R1.470 CCCC(=O)Cc1ncccc1Cl 1458a_100011998755_100000210303 [0,2,0,0,0,0|2,0,0]=4 18109 B13R1.470 CCCC(=O)Nc1ccccc1Cl 11a_100000185783_100000211992 [0,2,0,0,0,0|1,0,1]=4 18110 B13R1.470 CCCC(=O)Nc1ccccc1Cl 1626a_100000185783_100000211992 [0,2,0,0,0,0|1,0,1]=4 18111 B13R1.470 CCCC(=O)Nc1ccccc1Cl 22a_100000185783_100000211992 [0,2,0,0,0,0|1,0,1]=4 18112 B13R1.470 CCCC(=O)Nc1ccccc1Cl 527a_100000185783_100000211992 [0,2,0,0,0,0|1,0,1]=4 18113 B13R1.470 CCCC(C)Nc1ccccc1Br 34a_100000210017_100000766640 [0,2,0,0,0,0|1,1,0]=4 18114 B13R1.470 CCCC(C)Nc1ccccc1C 34a_100015192222_100000766640 [0,2,0,0,0,0|2,0,0]=4 18115 B13R1.470 CCCC(C)Nc1ccccc1Cl 34a_100000185783_100000766640 [0,2,0,0,0,0|1,0,0]=3 18116 B13R1.470 CCCC(C)Nc1ccccc1F 34a_100000210422_100000766640 [0,2,0,0,0,0|1,1,0]=4 18117 B13R1.470 CCCC(C)Nc1ccccc1I 34a_100000210053_100000766640 [0,2,0,0,0,0|1,1,0]=4 18118 B13R1.470 CCCC(C)Nc1ccccc1O 34a_100000185747_100000766640 [0,2,0,0,0,0|2,0,0]=4 18119 B13R1.470 CCCC(C)Oc1ccccc1Br 34a_100000181306_100000766640 [0,2,0,0,0,0|1,1,0]=4 18120 B13R1.470 CCCC(C)Oc1ccccc1Br 7a_100000181306_100000766640 [0,2,0,0,0,0|1,1,0]=4 18121 B13R1.470 CCCC(C)Oc1ccccc1C 34a_100000210338_100000766640 [0,2,0,0,0,0|2,0,0]=4 18122 B13R1.470 CCCC(C)Oc1ccccc1C 7a_100000210338_100000766640 [0,2,0,0,0,0|2,0,0]=4 18123 B13R1.470 CCCC(C)Oc1ccccc1Cl 34a_100000210172_100000766640 [0,2,0,0,0,0|1,0,0]=3 18124 B13R1.470 CCCC(C)Oc1ccccc1Cl 7a_100000210172_100000766640 [0,2,0,0,0,0|1,0,0]=3 18125 B13R1.470 CCCC(C)Oc1ccccc1F 34a_100000210171_100000766640 [0,2,0,0,0,0|1,1,0]=4 18126 B13R1.470 CCCC(C)Oc1ccccc1F 7a_100000210171_100000766640 [0,2,0,0,0,0|1,1,0]=4 18127 B13R1.470 CCCC(C)Oc1ccccc1I 34a_100000739446_100000766640 [0,2,0,0,0,0|1,1,0]=4 18128 B13R1.470 CCCC(C)Oc1ccccc1I 7a_100000739446_100000766640 [0,2,0,0,0,0|1,1,0]=4 18129 B13R1.470 CCCC(C)Oc1ccccc1N 34a_100000185747_100000766640 [0,2,0,0,0,0|2,0,0]=4 18130 B13R1.470 CCCC(C)Oc1ccccc1N 7a_100000185747_100000766640 [0,2,0,0,0,0|2,0,0]=4 18131 B13R1.470 CCCC(C)Oc1cccnc1Cl 34a_100000757616_100000766640 [0,2,0,0,0,0|2,0,0]=4 18132 B13R1.470 CCCC(C)Oc1cccnc1Cl 7a_100000757616_100000766640 [0,2,0,0,0,0|2,0,0]=4 18133 B13R1.470 CCCC(C)Oc1ccncc1Cl 34a_100011997054_100000766640 [0,2,0,0,0,0|2,0,0]=4 18134 B13R1.470 CCCC(C)Oc1cnccc1Cl 34a_100011996695_100000766640 [0,2,0,0,0,0|2,0,0]=4 18135 B13R1.470 CCCC(C)Oc1ncccc1Cl 34a_100011290957_100000766640 [0,2,0,0,0,0|2,0,0]=4 18136 B13R1.470 CCCC(C)Sc1ccccc1Br 62a_100000695589_100000766640 [0,2,0,0,0,0|1,1,0]=4 18137 B13R1.470 CCCC(C)Sc1ccccc1Br 62a_100000766640_100000695589 [0,2,0,0,0,0|1,1,0]=4 18138 B13R1.470 CCCC(C)Sc1ccccc1C 62a_100000210755_100000766640 [0,2,0,0,0,0|2,0,0]=4 18139 B13R1.470 CCCC(C)Sc1ccccc1C 62a_100000766640_100000210755 [0,2,0,0,0,0|2,0,0]=4 18140 B13R1.470 CCCC(C)Sc1ccccc1Cl 62a_100000764095_100000766640 [0,2,0,0,0,0|1,0,0]=3 18141 B13R1.470 CCCC(C)Sc1ccccc1Cl 62a_100000766640_100000764095 [0,2,0,0,0,0|1,0,0]=3 18142 B13R1.470 CCCC(C)Sc1ccccc1F 62a_100000766640_100011215700 [0,2,0,0,0,0|1,1,0]=4 18143 B13R1.470 CCCC(C)Sc1ccccc1F 62a_100011215700_100000766640 [0,2,0,0,0,0|1,1,0]=4 18144 B13R1.470 CCCC(C)Sc1ccccc1N 62a_100000210017_100000766640 [0,2,0,0,0,0|2,0,0]=4 18145 B13R1.470 CCCC(C)Sc1ccccc1N 62a_100000766640_100000210017 [0,2,0,0,0,0|2,0,0]=4 18146 B13R1.470 CCCC(C)Sc1ccccc1O 62a_100000739446_100000766640 [0,2,0,0,0,0|2,0,0]=4 18147 B13R1.470 CCCC(C)Sc1ccccc1O 62a_100000766640_100000739446 [0,2,0,0,0,0|2,0,0]=4 18148 B13R1.470 CCCC(C)Sc1cccnc1Cl 62a_100000036424_100000766640 [0,2,0,0,0,0|2,0,0]=4 18149 B13R1.470 CCCC(C)Sc1cccnc1Cl 62a_100000766640_100000036424 [0,2,0,0,0,0|2,0,0]=4 18150 B13R1.470 CCCC(C)Sc1ccncc1Cl 62a_100000708259_100000766640 [0,2,0,0,0,0|2,0,0]=4 18151 B13R1.470 CCCC(C)Sc1ccncc1Cl 62a_100000766640_100000708259 [0,2,0,0,0,0|2,0,0]=4 18152 B13R1.470 CCCC(C)Sc1cnccc1Cl 62a_100000766640_100009995489 [0,2,0,0,0,0|2,0,0]=4 18153 B13R1.470 CCCC(C)Sc1cnccc1Cl 62a_100009995489_100000766640 [0,2,0,0,0,0|2,0,0]=4 18154 B13R1.470 CCCC(C)Sc1ncccc1Cl 62a_100000766640_100011356963 [0,2,0,0,0,0|2,0,0]=4 18155 B13R1.470 CCCC(C)Sc1ncccc1Cl 62a_100011356963_100000766640 [0,2,0,0,0,0|2,0,0]=4 18156 B13R1.470 CCCN(C)Cc1ccccc1Br 2230a_100000184654_100000210303 [0,2,0,0,0,0|1,1,0]=4 18157 B13R1.470 CCCN(C)Cc1ccccc1Br 2230a_100000196483_200000210301 [0,2,0,0,0,0|1,1,0]=4 18158 B13R1.470 CCCN(C)Cc1ccccc1Br 2230a_100000747261_100000184730 [0,2,0,0,0,0|1,1,0]=4 18159 B13R1.470 CCCN(C)Cc1ccccc1Br 269982a_100000184654_100000210303 [0,2,0,0,0,0|1,1,0]=4 18160 B13R1.470 CCCN(C)Cc1ccccc1Br 269982a_100000196483_200000210301 [0,2,0,0,0,0|1,1,0]=4 18161 B13R1.470 CCCN(C)Cc1ccccc1Br 269982a_100000747261_100000184730 [0,2,0,0,0,0|1,1,0]=4 18162 B13R1.470 CCCN(C)Cc1ccccc1Br 26a_100000747261_100000181306 [0,2,0,0,0,0|1,1,0]=4 18163 B13R1.470 CCCN(C)Cc1ccccc1Br 270004a_100000747261_100000211189 [0,2,0,0,0,0|1,1,0]=4 18164 B13R1.470 CCCN(C)Cc1ccccc1C 2230a_100000184421_100000210303 [0,2,0,0,0,0|2,0,0]=4 18165 B13R1.470 CCCN(C)Cc1ccccc1C 2230a_100000747261_100000211839 [0,2,0,0,0,0|2,0,0]=4 18166 B13R1.470 CCCN(C)Cc1ccccc1C 2230a_100015185261_200000210301 [0,2,0,0,0,0|2,0,0]=4 18167 B13R1.470 CCCN(C)Cc1ccccc1C 269982a_100000184421_100000210303 [0,2,0,0,0,0|2,0,0]=4 18168 B13R1.470 CCCN(C)Cc1ccccc1C 269982a_100000747261_100000211839 [0,2,0,0,0,0|2,0,0]=4 18169 B13R1.470 CCCN(C)Cc1ccccc1C 269982a_100015185261_200000210301 [0,2,0,0,0,0|2,0,0]=4 18170 B13R1.470 CCCN(C)Cc1ccccc1C 270004a_100000747261_100000211143 [0,2,0,0,0,0|2,0,0]=4 18171 B13R1.470 CCCN(C)Cc1ccccc1Cl 2230a_100000184507_100000210303 [0,2,0,0,0,0|1,0,0]=3 18172 B13R1.470 CCCN(C)Cc1ccccc1Cl 2230a_100000747261_100000187162 [0,2,0,0,0,0|1,0,0]=3 18173 B13R1.470 CCCN(C)Cc1ccccc1Cl 2230a_100015184737_200000210301 [0,2,0,0,0,0|1,0,0]=3 18174 B13R1.470 CCCN(C)Cc1ccccc1Cl 269982a_100000184507_100000210303 [0,2,0,0,0,0|1,0,0]=3 18175 B13R1.470 CCCN(C)Cc1ccccc1Cl 269982a_100000747261_100000187162 [0,2,0,0,0,0|1,0,0]=3 18176 B13R1.470 CCCN(C)Cc1ccccc1Cl 269982a_100015184737_200000210301 [0,2,0,0,0,0|1,0,0]=3 18177 B13R1.470 CCCN(C)Cc1ccccc1Cl 26a_100000747261_100000210172 [0,2,0,0,0,0|1,0,0]=3 18178 B13R1.470 CCCN(C)Cc1ccccc1Cl 270004a_100000747261_100000210073 [0,2,0,0,0,0|1,0,0]=3 18179 B13R1.470 CCCN(C)Cc1ccccc1Cl 34a_100015184737_200000210301 [0,2,0,0,0,0|1,0,0]=3 18180 B13R1.470 CCCN(C)Cc1ccccc1F 2230a_100000742528_100000210303 [0,2,0,0,0,0|1,1,0]=4 18181 B13R1.470 CCCN(C)Cc1ccccc1F 2230a_100000747261_100000211605 [0,2,0,0,0,0|1,1,0]=4 18182 B13R1.470 CCCN(C)Cc1ccccc1F 2230a_100015184649_200000210301 [0,2,0,0,0,0|1,1,0]=4 18183 B13R1.470 CCCN(C)Cc1ccccc1F 269982a_100000742528_100000210303 [0,2,0,0,0,0|1,1,0]=4 18184 B13R1.470 CCCN(C)Cc1ccccc1F 269982a_100000747261_100000211605 [0,2,0,0,0,0|1,1,0]=4 18185 B13R1.470 CCCN(C)Cc1ccccc1F 269982a_100015184649_200000210301 [0,2,0,0,0,0|1,1,0]=4 18186 B13R1.470 CCCN(C)Cc1ccccc1F 270004a_100000747261_100000210811 [0,2,0,0,0,0|1,1,0]=4 18187 B13R1.470 CCCN(C)Cc1ccccc1F 34a_100000742528_100000210303 [0,2,0,0,0,0|1,1,0]=4 18188 B13R1.470 CCCN(C)Cc1ccccc1F 34a_100015184649_200000210301 [0,2,0,0,0,0|1,1,0]=4 18189 B13R1.470 CCCN(C)Cc1ccccc1I 2230a_100000747261_100011215278 [0,2,0,0,0,0|1,1,0]=4 18190 B13R1.470 CCCN(C)Cc1ccccc1I 269982a_100000747261_100011215278 [0,2,0,0,0,0|1,1,0]=4 18191 B13R1.470 CCCN(C)Cc1ccccc1I 270004a_100000747261_100000010305 [0,2,0,0,0,0|1,1,0]=4 18192 B13R1.470 CCCN(C)Cc1ccccc1O 2230a_100000749093_200000210301 [0,2,0,0,0,0|2,0,0]=4 18193 B13R1.470 CCCN(C)Cc1ccccc1O 2230a_100015189988_100000210303 [0,2,0,0,0,0|2,0,0]=4 18194 B13R1.470 CCCN(C)Cc1ccccc1O 269982a_100000749093_200000210301 [0,2,0,0,0,0|2,0,0]=4 18195 B13R1.470 CCCN(C)Cc1ccccc1O 269982a_100015189988_100000210303 [0,2,0,0,0,0|2,0,0]=4 18196 B13R1.470 CCCN(C)Cc1cccnc1Cl 2230a_100000747261_100000045678 [0,2,0,0,0,0|2,0,0]=4 18197 B13R1.470 CCCN(C)Cc1cccnc1Cl 2230a_103496529121_100000210303 [0,2,0,0,0,0|2,0,0]=4 18198 B13R1.470 CCCN(C)Cc1cccnc1Cl 269982a_100000747261_100000045678 [0,2,0,0,0,0|2,0,0]=4 18199 B13R1.470 CCCN(C)Cc1cccnc1Cl 269982a_103496529121_100000210303 [0,2,0,0,0,0|2,0,0]=4 18200 B13R1.470 CCCN(C)Cc1ccncc1Cl 2230a_100000747261_100000763264 [0,2,0,0,0,0|2,0,0]=4 18201 B13R1.470 CCCN(C)Cc1ccncc1Cl 269982a_100000747261_100000763264 [0,2,0,0,0,0|2,0,0]=4 18202 B13R1.470 CCCN(C)Cc1ccncc1Cl 270004a_100000747261_100011934409 [0,2,0,0,0,0|2,0,0]=4 18203 B13R1.470 CCCN(C)Cc1cnccc1Cl 270004a_100000747261_100000050567 [0,2,0,0,0,0|2,0,0]=4 18204 B13R1.470 CCCN(C)Cc1ncccc1Cl 2230a_100000747261_100000099807 [0,2,0,0,0,0|2,0,0]=4 18205 B13R1.470 CCCN(C)Cc1ncccc1Cl 269982a_100000747261_100000099807 [0,2,0,0,0,0|2,0,0]=4 18206 B13R1.470 CCCN(C)Cc1ncccc1Cl 270004a_100000747261_100012001307 [0,2,0,0,0,0|2,0,0]=4 18207 B13R1.470 CCCN([13CH3])Cc1ccccc1Br 2230a_100000196483_200025704644 [0,2,0,0,0,0|1,1,0]=4 18208 B13R1.470 CCCN([13CH3])Cc1ccccc1Br 269982a_100000196483_200025704644 [0,2,0,0,0,0|1,1,0]=4 18209 B13R1.470 CCCN([13CH3])Cc1ccccc1C 2230a_100015185261_200025704644 [0,2,0,0,0,0|2,0,0]=4 18210 B13R1.470 CCCN([13CH3])Cc1ccccc1C 269982a_100015185261_200025704644 [0,2,0,0,0,0|2,0,0]=4 18211 B13R1.470 CCCN([13CH3])Cc1ccccc1Cl 2230a_100015184737_200025704644 [0,2,0,0,0,0|1,0,0]=3 18212 B13R1.470 CCCN([13CH3])Cc1ccccc1Cl 269982a_100015184737_200025704644 [0,2,0,0,0,0|1,0,0]=3 18213 B13R1.470 CCCN([13CH3])Cc1ccccc1Cl 34a_100015184737_200025704644 [0,2,0,0,0,0|1,0,0]=3 18214 B13R1.470 CCCN([13CH3])Cc1ccccc1F 2230a_100015184649_200025704644 [0,2,0,0,0,0|1,1,0]=4 18215 B13R1.470 CCCN([13CH3])Cc1ccccc1F 269982a_100015184649_200025704644 [0,2,0,0,0,0|1,1,0]=4 18216 B13R1.470 CCCN([13CH3])Cc1ccccc1F 34a_100015184649_200025704644 [0,2,0,0,0,0|1,1,0]=4 18217 B13R1.470 CCCN([13CH3])Cc1ccccc1O 2230a_100000749093_200025704644 [0,2,0,0,0,0|2,0,0]=4 18218 B13R1.470 CCCN([13CH3])Cc1ccccc1O 269982a_100000749093_200025704644 [0,2,0,0,0,0|2,0,0]=4 18219 B13R1.470 CCNC(=O)Cc1ccccc1Br 11a_100015525214_100000751119 [0,2,0,0,0,0|0,1,1]=4 18220 B13R1.470 CCNC(=O)Cc1ccccc1Br 240690a_100015525214_100000751119 [0,2,0,0,0,0|0,1,1]=4 18221 B13R1.470 CCNC(=O)Cc1ccccc1Br 527a_100015525214_100000751119 [0,2,0,0,0,0|0,1,1]=4 18222 B13R1.470 CCNC(=O)Cc1ccccc1C 11a_100015525214_100000212180 [0,2,0,0,0,0|1,0,1]=4 18223 B13R1.470 CCNC(=O)Cc1ccccc1C 240690a_100015525214_100000212180 [0,2,0,0,0,0|1,0,1]=4 18224 B13R1.470 CCNC(=O)Cc1ccccc1C 527a_100015525214_100000212180 [0,2,0,0,0,0|1,0,1]=4 18225 B13R1.470 CCNC(=O)Cc1ccccc1Cl 11a_100015525214_100000183793 [0,2,0,0,0,0|0,0,1]=3 18226 B13R1.470 CCNC(=O)Cc1ccccc1Cl 240690a_100015525214_100000183793 [0,2,0,0,0,0|0,0,1]=3 18227 B13R1.470 CCNC(=O)Cc1ccccc1Cl 527a_100015525214_100000183793 [0,2,0,0,0,0|0,0,1]=3 18228 B13R1.470 CCNC(=O)Cc1ccccc1F 11a_100015525214_100000212012 [0,2,0,0,0,0|0,1,1]=4 18229 B13R1.470 CCNC(=O)Cc1ccccc1F 240690a_100015525214_100000212012 [0,2,0,0,0,0|0,1,1]=4 18230 B13R1.470 CCNC(=O)Cc1ccccc1F 527a_100015525214_100000212012 [0,2,0,0,0,0|0,1,1]=4 18231 B13R1.470 CCNC(=O)Cc1ccccc1I 11a_100015525214_100000036491 [0,2,0,0,0,0|0,1,1]=4 18232 B13R1.470 CCNC(=O)Cc1ccccc1I 240690a_100015525214_100000036491 [0,2,0,0,0,0|0,1,1]=4 18233 B13R1.470 CCNC(=O)Cc1ccccc1I 527a_100015525214_100000036491 [0,2,0,0,0,0|0,1,1]=4 18234 B13R1.470 CCNC(=O)Cc1ccccc1O 240690a_100015525214_100000743006 [0,2,0,0,0,0|1,0,1]=4 18235 B13R1.470 CCNC(=O)Cc1ccccc1O 271570a_203496583355_200009816148 [0,2,0,0,0,0|1,0,1]=4 18236 B13R1.470 CCNC(=O)Cc1ccccc1O 527a_100015525214_100000743006 [0,2,0,0,0,0|1,0,1]=4 18237 B13R1.470 CCNC(=O)Cc1cccnc1Cl 11a_100015525214_100000093521 [0,2,0,0,0,0|1,0,1]=4 18238 B13R1.470 CCNC(=O)Cc1cccnc1Cl 240690a_100015525214_100000093521 [0,2,0,0,0,0|1,0,1]=4 18239 B13R1.470 CCNC(=O)Cc1cccnc1Cl 527a_100015525214_100000093521 [0,2,0,0,0,0|1,0,1]=4 18240 B13R1.470 CCNC(=O)Cc1ncccc1Cl 11a_100015525214_100011998755 [0,2,0,0,0,0|1,0,1]=4 18241 B13R1.470 CCNC(=O)Cc1ncccc1Cl 240690a_100015525214_100011998755 [0,2,0,0,0,0|1,0,1]=4 18242 B13R1.470 CCNC(=O)Cc1ncccc1Cl 527a_100015525214_100011998755 [0,2,0,0,0,0|1,0,1]=4 18243 B13R1.470 CCNC(=O)Nc1ccccc1Cl 2430a_100000185783_100015525214 [0,2,0,0,0,0|1,0,1]=4 18244 B13R1.470 CCNC(C)Cc1ccccc1Br 270004a_100015525214_100011350739 [0,2,0,0,0,0|0,1,0]=3 18245 B13R1.470 CCNC(C)Cc1ccccc1C 270004a_100015525214_200000764500 [0,2,0,0,0,0|1,0,0]=3 18246 B13R1.470 CCNC(C)Cc1ccccc1Cl 270004a_100015525214_100000758791 [0,2,0,0,0,0|0,0,0]=2 18247 B13R1.470 CCNC(C)Cc1ccccc1F 270004a_100015525214_100000709178 [0,2,0,0,0,0|0,1,0]=3 18248 B13R1.470 CCNC(C)Cc1ncccc1C 270004a_100015525214_100011823981 [0,2,0,0,0,0|2,0,0]=4 18249 B13R1.470 CN(CC#N)Cc1ccccc1Cl 2230a_100000184507_100011215382 [0,2,0,0,0,0|2,0,0]=4 18250 B13R1.470 CN(CC#N)Cc1ccccc1Cl 2230a_100000748184_100000187162 [0,2,0,0,0,0|2,0,0]=4 18251 B13R1.470 CN(CC#N)Cc1ccccc1Cl 269982a_100000184507_100011214920 [0,2,0,0,0,0|2,0,0]=4 18252 B13R1.470 CN(CC#N)Cc1ccccc1Cl 26a_100000748184_100000210172 [0,2,0,0,0,0|2,0,0]=4 18253 B13R1.470 CN(CC=O)Cc1ccccc1Cl 2230a_100000184507_200015260668 [0,2,0,0,0,0|2,0,0]=4 18254 B13R1.470 CN(CC=O)Cc1ccccc1Cl 269982a_100000184507_200015260668 [0,2,0,0,0,0|2,0,0]=4 18255 B13R1.470 CN(CCF)Cc1ccccc1Cl 2230a_100000184507_100011217306 [0,2,0,0,0,0|2,0,0]=4 18256 B13R1.470 CN(CCF)Cc1ccccc1Cl 269982a_100000184507_100011217306 [0,2,0,0,0,0|2,0,0]=4 18257 B13R1.470 CN(CCO)Cc1ccccc1Cl 2230a_100000184507_100000211926 [0,2,0,0,0,0|2,0,0]=4 18258 B13R1.470 CN(CCO)Cc1ccccc1Cl 2230a_100000210263_100000187162 [0,2,0,0,0,0|2,0,0]=4 18259 B13R1.470 CN(CCO)Cc1ccccc1Cl 2230a_100015187164_200000210301 [0,2,0,0,0,0|2,0,0]=4 18260 B13R1.470 CN(CCO)Cc1ccccc1Cl 269982a_100000184507_100000211926 [0,2,0,0,0,0|2,0,0]=4 18261 B13R1.470 CN(CCO)Cc1ccccc1Cl 269982a_100000210263_100000187162 [0,2,0,0,0,0|2,0,0]=4 18262 B13R1.470 CN(CCO)Cc1ccccc1Cl 269982a_100015187164_200000210301 [0,2,0,0,0,0|2,0,0]=4 18263 B13R1.470 CN(CCO)Cc1ccccc1Cl 26a_100000210263_100000210172 [0,2,0,0,0,0|2,0,0]=4 18264 B13R1.470 CN(CCO)Cc1ccccc1Cl 270004a_100000210263_100000210073 [0,2,0,0,0,0|2,0,0]=4 18265 B13R1.470 CN(CCO)Cc1ccccc1Cl 34a_100015187164_200000210301 [0,2,0,0,0,0|2,0,0]=4 18266 B13R1.470 CNCC(=O)Cc1ccccc1Br 2230a_106832991635_100000700504 [0,2,0,0,0,0|0,1,0]=3 18267 B13R1.470 CNCC(=O)Cc1ccccc1Br 34a_100102657272_100000700504 [0,2,0,0,0,0|0,1,0]=3 18268 B13R1.470 CNCC(=O)Cc1ccccc1Br 7a_106832991635_100000700504 [0,2,0,0,0,0|0,1,0]=3 18269 B13R1.470 CNCC(=O)Cc1ccccc1C 2230a_106832991635_100011223134 [0,2,0,0,0,0|1,0,0]=3 18270 B13R1.470 CNCC(=O)Cc1ccccc1C 7a_106832991635_100011223134 [0,2,0,0,0,0|1,0,0]=3 18271 B13R1.470 CNCC(=O)Nc1ccccc1Br 2230a_100000683505_200000210301 [0,2,0,0,0,0|0,1,1]=4 18272 B13R1.470 CNCC(=O)Nc1ccccc1Br 2230a_106832991635_100000182372 [0,2,0,0,0,0|0,1,1]=4 18273 B13R1.470 CNCC(=O)Nc1ccccc1Br 7a_106832991635_100000182372 [0,2,0,0,0,0|0,1,1]=4 18274 B13R1.470 CNCC(=O)Nc1ccccc1C 2230a_100015186652_200000210301 [0,2,0,0,0,0|1,0,1]=4 18275 B13R1.470 CNCC(=O)Nc1ccccc1C 2230a_106832991635_100000183529 [0,2,0,0,0,0|1,0,1]=4 18276 B13R1.470 CNCC(=O)Nc1ccccc1C 34a_100102657272_100000183529 [0,2,0,0,0,0|1,0,1]=4 18277 B13R1.470 CNCC(=O)Nc1ccccc1C 7a_106832991635_100000183529 [0,2,0,0,0,0|1,0,1]=4 18278 B13R1.470 CNCC(=O)Nc1ccccc1Cl 2230a_106832991635_100000182448 [0,2,0,0,0,0|0,0,1]=3 18279 B13R1.470 CNCC(=O)Nc1ccccc1Cl 34a_100102657272_100000182448 [0,2,0,0,0,0|0,0,1]=3 18280 B13R1.470 CNCC(=O)Nc1ccccc1Cl 7a_106832991635_100000182448 [0,2,0,0,0,0|0,0,1]=3 18281 B13R1.470 CNCC(=O)Nc1ccccc1F 2230a_106832991635_100000182988 [0,2,0,0,0,0|0,1,1]=4 18282 B13R1.470 CNCC(=O)Nc1ccccc1F 34a_100102657272_100000243840 [0,2,0,0,0,0|0,1,1]=4 18283 B13R1.470 CNCC(=O)Nc1ccccc1F 7a_106832991635_100000182988 [0,2,0,0,0,0|0,1,1]=4 18284 B13R1.470 CNCC(=O)Nc1ccccc1I 2230a_106832991635_100000180142 [0,2,0,0,0,0|0,1,1]=4 18285 B13R1.470 CNCC(=O)Nc1ccccc1I 34a_100102657272_100000180142 [0,2,0,0,0,0|0,1,1]=4 18286 B13R1.470 CNCC(=O)Nc1ccccc1I 7a_106832991635_100000180142 [0,2,0,0,0,0|0,1,1]=4 18287 B13R1.470 CNCC(=O)Nc1ccccc1O 7a_106832991635_100000014494 [0,2,0,0,0,0|1,0,1]=4 18288 B13R1.470 CNCC(C)Oc1ccccc1Cl 2230a_100000763343_200000210301 [0,2,0,0,0,0|0,0,0]=2 18289 B13R1.470 CNCC(C)Oc1ccccc1Cl 34a_100000763343_200000210301 [0,2,0,0,0,0|0,0,0]=2 18290 B13R1.470 CNNC(=O)Cc1ccccc1Br 22a_100016993582_100000751119 [0,2,0,0,0,0|0,1,1]=4 18291 B13R1.470 CNNC(=O)Cc1ccccc1C 22a_100016993582_100000212180 [0,2,0,0,0,0|1,0,1]=4 18292 B13R1.470 CNNC(=O)Cc1ccccc1Cl 22a_100016993582_100000183793 [0,2,0,0,0,0|0,0,1]=3 18293 B13R1.470 CNNC(=O)Cc1ccccc1F 22a_100016993582_100000212012 [0,2,0,0,0,0|0,1,1]=4 18294 B13R1.470 CNNC(=O)Cc1ccccc1I 22a_100016993582_100000036491 [0,2,0,0,0,0|0,1,1]=4 18295 B13R1.470 CNNC(=O)Cc1ccccc1O 22a_100016993582_100000743006 [0,2,0,0,0,0|1,0,1]=4 18296 B13R1.470 CNNC(=O)Cc1cccnc1Cl 22a_100016993582_100000093521 [0,2,0,0,0,0|1,0,1]=4 18297 B13R1.470 COCC(=O)Cc1ccccc1Br 1458a_100000210968_100000184730 [0,2,0,0,0,0|1,1,0]=4 18298 B13R1.470 COCC(=O)Cc1ccccc1Br 34a_100138415774_100000700504 [0,2,0,0,0,0|1,1,0]=4 18299 B13R1.470 COCC(=O)Cc1ccccc1C 1458a_100000210968_100000211839 [0,2,0,0,0,0|2,0,0]=4 18300 B13R1.470 COCC(=O)Cc1ccccc1Cl 1458a_100000210968_100000187162 [0,2,0,0,0,0|1,0,0]=3 18301 B13R1.470 COCC(=O)Cc1ccccc1F 1458a_100000210968_100000187165 [0,2,0,0,0,0|1,1,0]=4 18302 B13R1.470 COCC(=O)Cc1ccccc1I 1458a_100000210968_100011216222 [0,2,0,0,0,0|1,1,0]=4 18303 B13R1.470 COCC(=O)Cc1cccnc1Cl 1458a_100000210968_100000045678 [0,2,0,0,0,0|2,0,0]=4 18304 B13R1.470 COCC(=O)Cc1ccncc1Cl 1458a_100000210968_100000763264 [0,2,0,0,0,0|2,0,0]=4 18305 B13R1.470 COCC(=O)Cc1ncccc1Cl 1458a_100000210968_100000099807 [0,2,0,0,0,0|2,0,0]=4 18306 B13R1.470 COCC(=O)Nc1ccccc1Cl 11a_100000185783_100000210968 [0,2,0,0,0,0|1,0,1]=4 18307 B13R1.470 COCC(=O)Nc1ccccc1Cl 1626a_100000185783_100000210968 [0,2,0,0,0,0|1,0,1]=4 18308 B13R1.470 COCC(=O)Nc1ccccc1Cl 22a_100000185783_100000210968 [0,2,0,0,0,0|1,0,1]=4 18309 B13R1.470 COCC(=O)Nc1ccccc1Cl 34a_100138415774_100000182448 [0,2,0,0,0,0|1,0,1]=4 18310 B13R1.470 COCC(=O)Nc1ccccc1Cl 527a_100000185783_100000210968 [0,2,0,0,0,0|1,0,1]=4 18311 B13R1.470 COCC(C)Nc1ccccc1Br 34a_100000210017_100000765312 [0,2,0,0,0,0|1,1,0]=4 18312 B13R1.470 COCC(C)Nc1ccccc1C 34a_100015192222_100000765312 [0,2,0,0,0,0|2,0,0]=4 18313 B13R1.470 COCC(C)Nc1ccccc1Cl 34a_100000185783_100000765312 [0,2,0,0,0,0|1,0,0]=3 18314 B13R1.470 COCC(C)Nc1ccccc1F 34a_100000210422_100000765312 [0,2,0,0,0,0|1,1,0]=4 18315 B13R1.470 COCC(C)Nc1ccccc1I 34a_100000210053_100000765312 [0,2,0,0,0,0|1,1,0]=4 18316 B13R1.470 COCC(C)Nc1ccccc1O 34a_100000185747_100000765312 [0,2,0,0,0,0|2,0,0]=4 18317 B13R1.470 COCC(C)Oc1ccccc1Br 34a_100000181306_100000765312 [0,2,0,0,0,0|1,1,0]=4 18318 B13R1.470 COCC(C)Oc1ccccc1Br 7a_100000181306_100000765312 [0,2,0,0,0,0|1,1,0]=4 18319 B13R1.470 COCC(C)Oc1ccccc1C 34a_100000210338_100000765312 [0,2,0,0,0,0|2,0,0]=4 18320 B13R1.470 COCC(C)Oc1ccccc1C 7a_100000210338_100000765312 [0,2,0,0,0,0|2,0,0]=4 18321 B13R1.470 COCC(C)Oc1ccccc1Cl 34a_100000210172_100000765312 [0,2,0,0,0,0|1,0,0]=3 18322 B13R1.470 COCC(C)Oc1ccccc1Cl 7a_100000210172_100000765312 [0,2,0,0,0,0|1,0,0]=3 18323 B13R1.470 COCC(C)Oc1ccccc1F 34a_100000210171_100000765312 [0,2,0,0,0,0|1,1,0]=4 18324 B13R1.470 COCC(C)Oc1ccccc1F 7a_100000210171_100000765312 [0,2,0,0,0,0|1,1,0]=4 18325 B13R1.470 COCC(C)Oc1ccccc1I 34a_100000739446_100000765312 [0,2,0,0,0,0|1,1,0]=4 18326 B13R1.470 COCC(C)Oc1ccccc1I 7a_100000739446_100000765312 [0,2,0,0,0,0|1,1,0]=4 18327 B13R1.470 COCC(C)Oc1ccccc1N 34a_100000185747_100000765312 [0,2,0,0,0,0|2,0,0]=4 18328 B13R1.470 COCC(C)Oc1ccccc1N 7a_100000185747_100000765312 [0,2,0,0,0,0|2,0,0]=4 18329 B13R1.470 COCC(C)Oc1cccnc1Cl 34a_100000757616_100000765312 [0,2,0,0,0,0|2,0,0]=4 18330 B13R1.470 COCC(C)Oc1cccnc1Cl 7a_100000757616_100000765312 [0,2,0,0,0,0|2,0,0]=4 18331 B13R1.470 COCC(C)Oc1ccncc1Cl 34a_100011997054_100000765312 [0,2,0,0,0,0|2,0,0]=4 18332 B13R1.470 COCC(C)Oc1cnccc1Cl 34a_100011996695_100000765312 [0,2,0,0,0,0|2,0,0]=4 18333 B13R1.470 COCC(C)Oc1ncccc1Cl 34a_100011290957_100000765312 [0,2,0,0,0,0|2,0,0]=4 18334 B13R1.470 COCC(C)Sc1ccccc1Br 62a_100000695589_100000765312 [0,2,0,0,0,0|1,1,0]=4 18335 B13R1.470 COCC(C)Sc1ccccc1Br 62a_100000765312_100000695589 [0,2,0,0,0,0|1,1,0]=4 18336 B13R1.470 COCC(C)Sc1ccccc1C 62a_100000210755_100000765312 [0,2,0,0,0,0|2,0,0]=4 18337 B13R1.470 COCC(C)Sc1ccccc1C 62a_100000765312_100000210755 [0,2,0,0,0,0|2,0,0]=4 18338 B13R1.470 COCC(C)Sc1ccccc1Cl 62a_100000764095_100000765312 [0,2,0,0,0,0|1,0,0]=3 18339 B13R1.470 COCC(C)Sc1ccccc1Cl 62a_100000765312_100000764095 [0,2,0,0,0,0|1,0,0]=3 18340 B13R1.470 COCC(C)Sc1ccccc1F 62a_100000765312_100011215700 [0,2,0,0,0,0|1,1,0]=4 18341 B13R1.470 COCC(C)Sc1ccccc1F 62a_100011215700_100000765312 [0,2,0,0,0,0|1,1,0]=4 18342 B13R1.470 COCC(C)Sc1ccccc1N 62a_100000210017_100000765312 [0,2,0,0,0,0|2,0,0]=4 18343 B13R1.470 COCC(C)Sc1ccccc1N 62a_100000765312_100000210017 [0,2,0,0,0,0|2,0,0]=4 18344 B13R1.470 COCC(C)Sc1ccccc1O 62a_100000739446_100000765312 [0,2,0,0,0,0|2,0,0]=4 18345 B13R1.470 COCC(C)Sc1ccccc1O 62a_100000765312_100000739446 [0,2,0,0,0,0|2,0,0]=4 18346 B13R1.470 COCC(C)Sc1cccnc1Cl 62a_100000036424_100000765312 [0,2,0,0,0,0|2,0,0]=4 18347 B13R1.470 COCC(C)Sc1cccnc1Cl 62a_100000765312_100000036424 [0,2,0,0,0,0|2,0,0]=4 18348 B13R1.470 COCC(C)Sc1ccncc1Cl 62a_100000708259_100000765312 [0,2,0,0,0,0|2,0,0]=4 18349 B13R1.470 COCC(C)Sc1ccncc1Cl 62a_100000765312_100000708259 [0,2,0,0,0,0|2,0,0]=4 18350 B13R1.470 COCC(C)Sc1cnccc1Cl 62a_100000765312_100009995489 [0,2,0,0,0,0|2,0,0]=4 18351 B13R1.470 COCC(C)Sc1cnccc1Cl 62a_100009995489_100000765312 [0,2,0,0,0,0|2,0,0]=4 18352 B13R1.470 COCC(C)Sc1ncccc1Cl 62a_100000765312_100011356963 [0,2,0,0,0,0|2,0,0]=4 18353 B13R1.470 COCC(C)Sc1ncccc1Cl 62a_100011356963_100000765312 [0,2,0,0,0,0|2,0,0]=4 18354 B13R1.470 COCC(N)Cc1ccccc1Cl 34a_100012001541_200000210301 [0,2,0,0,0,0|1,0,0]=3 18355 B13R1.470 COCN(C)Cc1ccccc1Br 2230a_100000184654_100000766300 [0,2,0,0,0,0|1,1,0]=4 18356 B13R1.470 COCN(C)Cc1ccccc1Br 269982a_100000184654_100000766300 [0,2,0,0,0,0|1,1,0]=4 18357 B13R1.470 COCN(C)Cc1ccccc1C 2230a_100000184421_100000766300 [0,2,0,0,0,0|2,0,0]=4 18358 B13R1.470 COCN(C)Cc1ccccc1C 269982a_100000184421_100000766300 [0,2,0,0,0,0|2,0,0]=4 18359 B13R1.470 COCN(C)Cc1ccccc1Cl 2230a_100000184507_100000766300 [0,2,0,0,0,0|1,0,0]=3 18360 B13R1.470 COCN(C)Cc1ccccc1Cl 269982a_100000184507_100000766300 [0,2,0,0,0,0|1,0,0]=3 18361 B13R1.470 COCN(C)Cc1ccccc1F 2230a_100000742528_100000766300 [0,2,0,0,0,0|1,1,0]=4 18362 B13R1.470 COCN(C)Cc1ccccc1F 269982a_100000742528_100000766300 [0,2,0,0,0,0|1,1,0]=4 18363 B13R1.470 COCN(C)Cc1ccccc1O 2230a_100015189988_100000766300 [0,2,0,0,0,0|2,0,0]=4 18364 B13R1.470 COCN(C)Cc1ccccc1O 269982a_100015189988_100000766300 [0,2,0,0,0,0|2,0,0]=4 18365 B13R1.470 COCN(C)Cc1cccnc1Cl 2230a_103496529121_100000766300 [0,2,0,0,0,0|2,0,0]=4 18366 B13R1.470 COCN(C)Cc1cccnc1Cl 269982a_103496529121_100000766300 [0,2,0,0,0,0|2,0,0]=4 18367 B13R1.470 CSCC(=O)Cc1ccccc1Br 1458a_100000184570_100000184730 [0,2,0,0,0,0|1,1,0]=4 18368 B13R1.470 CSCC(=O)Cc1ccccc1Br 62a_100000700504_200000210301 [0,2,0,0,0,0|1,1,0]=4 18369 B13R1.470 CSCC(=O)Cc1ccccc1Br 62a_200000210301_100000700504 [0,2,0,0,0,0|1,1,0]=4 18370 B13R1.470 CSCC(=O)Cc1ccccc1C 1458a_100000184570_100000211839 [0,2,0,0,0,0|2,0,0]=4 18371 B13R1.470 CSCC(=O)Cc1ccccc1C 62a_100011223134_200000210301 [0,2,0,0,0,0|2,0,0]=4 18372 B13R1.470 CSCC(=O)Cc1ccccc1C 62a_200000210301_100011223134 [0,2,0,0,0,0|2,0,0]=4 18373 B13R1.470 CSCC(=O)Cc1ccccc1Cl 1458a_100000184570_100000187162 [0,2,0,0,0,0|1,0,0]=3 18374 B13R1.470 CSCC(=O)Cc1ccccc1F 1458a_100000184570_100000187165 [0,2,0,0,0,0|1,1,0]=4 18375 B13R1.470 CSCC(=O)Cc1ccccc1I 1458a_100000184570_100011216222 [0,2,0,0,0,0|1,1,0]=4 18376 B13R1.470 CSCC(=O)Cc1cccnc1Cl 1458a_100000184570_100000045678 [0,2,0,0,0,0|2,0,0]=4 18377 B13R1.470 CSCC(=O)Cc1ccncc1Cl 1458a_100000184570_100000763264 [0,2,0,0,0,0|2,0,0]=4 18378 B13R1.470 CSCC(=O)Cc1ncccc1Cl 1458a_100000184570_100000099807 [0,2,0,0,0,0|2,0,0]=4 18379 B13R1.470 CSCC(=O)Nc1ccccc1Cl 11a_100000185783_100000184570 [0,2,0,0,0,0|1,0,1]=4 18380 B13R1.470 CSCC(=O)Nc1ccccc1Cl 1626a_100000185783_100000184570 [0,2,0,0,0,0|1,0,1]=4 18381 B13R1.470 CSCC(=O)Nc1ccccc1Cl 22a_100000185783_100000184570 [0,2,0,0,0,0|1,0,1]=4 18382 B13R1.470 CSCC(=O)Nc1ccccc1Cl 527a_100000185783_100000184570 [0,2,0,0,0,0|1,0,1]=4 18383 B13R1.470 CSCC(=O)Nc1ccccc1Cl 62a_200000210301_100000182448 [0,2,0,0,0,0|1,0,1]=4 18384 B13R1.470 CSCC(=O)Nc1ccccc1Cl 62a_200011202291_200000210301 [0,2,0,0,0,0|1,0,1]=4 18385 B13R1.470 CSCN(C)Cc1ccccc1Br 2230a_100000184654_100011218213 [0,2,0,0,0,0|1,1,0]=4 18386 B13R1.470 CSCN(C)Cc1ccccc1Br 269982a_100000184654_100011218213 [0,2,0,0,0,0|1,1,0]=4 18387 B13R1.470 CSCN(C)Cc1ccccc1C 2230a_100000184421_100011218213 [0,2,0,0,0,0|2,0,0]=4 18388 B13R1.470 CSCN(C)Cc1ccccc1C 269982a_100000184421_100011218213 [0,2,0,0,0,0|2,0,0]=4 18389 B13R1.470 CSCN(C)Cc1ccccc1Cl 2230a_100000184507_100011218213 [0,2,0,0,0,0|1,0,0]=3 18390 B13R1.470 CSCN(C)Cc1ccccc1Cl 269982a_100000184507_100011218213 [0,2,0,0,0,0|1,0,0]=3 18391 B13R1.470 CSCN(C)Cc1ccccc1F 2230a_100000742528_100011218213 [0,2,0,0,0,0|1,1,0]=4 18392 B13R1.470 CSCN(C)Cc1ccccc1F 269982a_100000742528_100011218213 [0,2,0,0,0,0|1,1,0]=4 18393 B13R1.470 CSCN(C)Cc1ccccc1F 34a_100000742528_100011218213 [0,2,0,0,0,0|1,1,0]=4 18394 B13R1.470 CSCN(C)Cc1ccccc1O 2230a_100015189988_100011218213 [0,2,0,0,0,0|2,0,0]=4 18395 B13R1.470 CSCN(C)Cc1ccccc1O 269982a_100015189988_100011218213 [0,2,0,0,0,0|2,0,0]=4 18396 B13R1.470 CSCN(C)Cc1cccnc1Cl 2230a_103496529121_100011218213 [0,2,0,0,0,0|2,0,0]=4 18397 B13R1.470 CSCN(C)Cc1cccnc1Cl 269982a_103496529121_100011218213 [0,2,0,0,0,0|2,0,0]=4 18398 B13R1.470 Cc1ccccc1CC(=O)CS[13CH3] 62a_100011223134_200025704644 [0,2,0,0,0,0|2,0,0]=4 18399 B13R1.470 Cc1ccccc1CC(=O)CS[13CH3] 62a_200025704644_100011223134 [0,2,0,0,0,0|2,0,0]=4 18400 B13R1.470 Cc1ccccc1NC(=O)CN[13CH3] 2230a_100015186652_200025704644 [0,2,0,0,0,0|1,0,1]=4 18401 B13R1.470 N#CCC(=O)Cc1ccccc1Cl 1458a_100000183793_100011214920 [0,2,0,0,0,0|2,0,0]=4 18402 B13R1.470 N#CCC(=O)Cc1ccccc1Cl 1458a_100051588842_100000187162 [0,2,0,0,0,0|2,0,0]=4 18403 B13R1.470 O=C(CCF)Cc1ccccc1Cl 1458a_100000183793_100011217306 [0,2,0,0,0,0|1,0,1]=4 18404 B13R1.470 O=C(CCO)Cc1ccccc1Cl 1458a_100000183793_100000211926 [0,2,0,0,0,0|1,0,1]=4 18405 B13R1.470 O=C(CCO)Cc1ccccc1Cl 1458a_100011216618_100000187162 [0,2,0,0,0,0|1,0,1]=4 18406 B13R1.470 [13CH3]N(CCO)Cc1ccccc1Cl 2230a_100015187164_200025704644 [0,2,0,0,0,0|2,0,0]=4 18407 B13R1.470 [13CH3]N(CCO)Cc1ccccc1Cl 269982a_100015187164_200025704644 [0,2,0,0,0,0|2,0,0]=4 18408 B13R1.470 [13CH3]N(CCO)Cc1ccccc1Cl 34a_100015187164_200025704644 [0,2,0,0,0,0|2,0,0]=4 18409 B13R1.470 [13CH3]NCC(=O)Nc1ccccc1Br 2230a_100000683505_200025704644 [0,2,0,0,0,0|0,1,1]=4 18410 B13R1.470 [13CH3]OCC(N)Cc1ccccc1Cl 34a_100012001541_200025704644 [0,2,0,0,0,0|1,0,0]=3 18411 B13R1.470 [13CH3]SCC(=O)Cc1ccccc1Br 62a_100000700504_200025704644 [0,2,0,0,0,0|1,1,0]=4 18412 B13R1.470 [13CH3]SCC(=O)Cc1ccccc1Br 62a_200025704644_100000700504 [0,2,0,0,0,0|1,1,0]=4 18413 B13R1.470 [13CH3]SCC(=O)Nc1ccccc1Cl 62a_200011202291_200025704644 [0,2,0,0,0,0|1,0,1]=4 18414 B13R1.470 [13CH3]SCC(=O)Nc1ccccc1Cl 62a_200025704644_100000182448 [0,2,0,0,0,0|1,0,1]=4 18415 B13R1.555 BrCCCOCc1ccccc1Br 34a_100011217188_100000184730 [0,2,0,0,0,0|1,1,0]=4 18416 B13R1.555 BrCCCOCc1ccccc1I 34a_100011217188_100011215278 [0,2,0,0,0,0|1,1,0]=4 18417 B13R1.555 BrCCOCCc1ccccc1Br 34a_100000211926_100012161201 [0,2,0,0,0,0|1,1,0]=4 18418 B13R1.555 C#CCCCNc1ccccc1Cl 34a_100000185783_100000695029 [0,2,0,0,0,0|1,0,1]=4 18419 B13R1.555 C#CCCCOc1ccccc1Cl 34a_100000210172_100000695029 [0,2,0,0,0,0|1,0,1]=4 18420 B13R1.555 C#CCCCOc1ccccc1Cl 7a_100000210172_100011215417 [0,2,0,0,0,0|1,0,1]=4 18421 B13R1.555 C#CCCCSc1ccccc1Cl 62a_100000764095_100011215417 [0,2,0,0,0,0|1,0,1]=4 18422 B13R1.555 C#CCCCSc1ccccc1Cl 62a_100011215417_100000764095 [0,2,0,0,0,0|1,0,1]=4 18423 B13R1.555 C#CCCNCc1ccccc1Cl 2230a_100000174879_100000688953 [0,2,0,0,0,0|1,0,1]=4 18424 B13R1.555 C#CCCNCc1ccccc1Cl 34a_100000174879_100000688953 [0,2,0,0,0,0|1,0,1]=4 18425 B13R1.555 C#CCCNCc1ccccc1Cl 34a_100000755551_100000187162 [0,2,0,0,0,0|1,0,1]=4 18426 B13R1.555 C#CCCOCc1ccccc1Cl 34a_100000210847_100000688953 [0,2,0,0,0,0|1,0,1]=4 18427 B13R1.555 C#CCCOCc1ccccc1Cl 34a_100011215631_100000187162 [0,2,0,0,0,0|1,0,1]=4 18428 B13R1.555 C#CCCOCc1ccccc1Cl 7a_100000210847_100000688953 [0,2,0,0,0,0|1,0,1]=4 18429 B13R1.555 C#CCCSCc1ccccc1Cl 62a_100000187162_100000688953 [0,2,0,0,0,0|1,0,1]=4 18430 B13R1.555 C#CCCSCc1ccccc1Cl 62a_100000688953_100000187162 [0,2,0,0,0,0|1,0,1]=4 18431 B13R1.555 C#CCNCCc1ccccc1Br 2230a_100000747383_100000038162 [0,2,0,0,0,0|0,1,0]=3 18432 B13R1.555 C#CCNCCc1ccccc1Br 34a_100000212058_100012161201 [0,2,0,0,0,0|0,1,0]=3 18433 B13R1.555 C#CCNCCc1ccccc1Br 34a_100000747383_100000184674 [0,2,0,0,0,0|0,1,0]=3 18434 B13R1.555 C#CCNCCc1ccccc1C 2230a_100000685071_100000038162 [0,2,0,0,0,0|1,0,0]=3 18435 B13R1.555 C#CCNCCc1ccccc1C 34a_100000212058_100011713688 [0,2,0,0,0,0|1,0,0]=3 18436 B13R1.555 C#CCNCCc1ccccc1C 34a_100000685071_100000184674 [0,2,0,0,0,0|1,0,0]=3 18437 B13R1.555 C#CCNCCc1ccccc1Cl 2230a_100011207228_100000038162 [0,2,0,0,0,0|0,0,0]=2 18438 B13R1.555 C#CCNCCc1ccccc1Cl 34a_100000212058_100011713703 [0,2,0,0,0,0|0,0,0]=2 18439 B13R1.555 C#CCNCCc1ccccc1Cl 34a_100011207228_100000184674 [0,2,0,0,0,0|0,0,0]=2 18440 B13R1.555 C#CCNCCc1ccccc1F 2230a_100000185272_100000038162 [0,2,0,0,0,0|0,1,0]=3 18441 B13R1.555 C#CCNCCc1ccccc1F 34a_100000185272_100000184674 [0,2,0,0,0,0|0,1,0]=3 18442 B13R1.555 C#CCNCCc1ccccc1F 34a_100000212058_100000720011 [0,2,0,0,0,0|0,1,0]=3 18443 B13R1.555 C#CCNCCc1ccccc1O 34a_100000212058_100000722297 [0,2,0,0,0,0|1,0,0]=3 18444 B13R1.555 C#CCNCCc1ccccc1O 34a_100011207237_100000184674 [0,2,0,0,0,0|1,0,0]=3 18445 B13R1.555 C#CCNCCn1ccccc1=O 2230a_100000687133_100000038162 [0,2,0,0,0,0|2,0,0]=4 18446 B13R1.555 C#CCOCCc1ccccc1Br 34a_100000210247_100012161201 [0,2,0,0,0,0|1,1,0]=4 18447 B13R1.555 C#CCOCCc1ccccc1Br 34a_100000731337_100000184674 [0,2,0,0,0,0|1,1,0]=4 18448 B13R1.555 C#CCOCCc1ccccc1Br 7a_100000731337_100000038162 [0,2,0,0,0,0|1,1,0]=4 18449 B13R1.555 C#CCOCCc1ccccc1C 34a_100000210247_100011713688 [0,2,0,0,0,0|2,0,0]=4 18450 B13R1.555 C#CCOCCc1ccccc1C 34a_100011220023_100000184674 [0,2,0,0,0,0|2,0,0]=4 18451 B13R1.555 C#CCOCCc1ccccc1C 7a_100011220023_100000038162 [0,2,0,0,0,0|2,0,0]=4 18452 B13R1.555 C#CCOCCc1ccccc1Cl 34a_100000210247_100011713703 [0,2,0,0,0,0|1,0,0]=3 18453 B13R1.555 C#CCOCCc1ccccc1Cl 34a_100011215284_100000184674 [0,2,0,0,0,0|1,0,0]=3 18454 B13R1.555 C#CCOCCc1ccccc1Cl 7a_100011215284_100000038162 [0,2,0,0,0,0|1,0,0]=3 18455 B13R1.555 C#CCOCCc1ccccc1F 34a_100000210247_100000720011 [0,2,0,0,0,0|1,1,0]=4 18456 B13R1.555 C#CCOCCc1ccccc1F 34a_100000753711_100000184674 [0,2,0,0,0,0|1,1,0]=4 18457 B13R1.555 C#CCOCCc1ccccc1F 7a_100000753711_100000038162 [0,2,0,0,0,0|1,1,0]=4 18458 B13R1.555 C#CCOCCc1ccccc1I 34a_100010255290_100000184674 [0,2,0,0,0,0|1,1,0]=4 18459 B13R1.555 C#CCOCCc1ccccc1I 7a_100010255290_100000038162 [0,2,0,0,0,0|1,1,0]=4 18460 B13R1.555 C#CCOCCc1ccccc1N 34a_100011215289_100000184674 [0,2,0,0,0,0|2,0,0]=4 18461 B13R1.555 C#CCOCCc1ccccc1O 34a_100000210247_100000722297 [0,2,0,0,0,0|2,0,0]=4 18462 B13R1.555 C#CCSCCc1ccccc1Br 62a_100000038162_100012161201 [0,2,0,0,0,0|1,1,0]=4 18463 B13R1.555 C#CCSCCc1ccccc1C 62a_100000038162_100011713688 [0,2,0,0,0,0|2,0,0]=4 18464 B13R1.555 C#CCSCCc1ccccc1Cl 62a_100000038162_100011713703 [0,2,0,0,0,0|1,0,0]=3 18465 B13R1.555 C#CCSCCc1ccccc1F 62a_100000038162_100011713696 [0,2,0,0,0,0|1,1,0]=4 18466 B13R1.555 C#CCSCCc1ccccc1O 62a_100000038162_100000722297 [0,2,0,0,0,0|2,0,0]=4 18467 B13R1.555 C/C=C/CNCc1ccccc1Br 34a_100000689332_100102629194 [0,2,0,0,0,0|1,1,0]=4 18468 B13R1.555 C/C=C/CNCc1ccccc1C 34a_100000174972_100102629194 [0,2,0,0,0,0|2,0,0]=4 18469 B13R1.555 C/C=C/CNCc1ccccc1Cl 34a_100000174879_100102629194 [0,2,0,0,0,0|1,0,0]=3 18470 B13R1.555 C/C=C/CNCc1ccccc1F 34a_100000174869_100102629194 [0,2,0,0,0,0|1,1,0]=4 18471 B13R1.555 C/C=C/CNCc1ccccc1O 34a_100000185550_100102629194 [0,2,0,0,0,0|2,0,0]=4 18472 B13R1.555 C/C=C/CNCc1cccnc1Cl 34a_100015189234_100102629194 [0,2,0,0,0,0|2,0,0]=4 18473 B13R1.555 C/C=C/COCc1ccccc1Br 34a_100000756307_100102629194 [0,2,0,0,0,0|1,1,0]=4 18474 B13R1.555 C/C=C/COCc1ccccc1Br 34a_100016270725_100000184730 [0,2,0,0,0,0|1,1,0]=4 18475 B13R1.555 C/C=C/COCc1ccccc1Br 7a_100000756307_100102629194 [0,2,0,0,0,0|1,1,0]=4 18476 B13R1.555 C/C=C/COCc1ccccc1C 34a_100000698903_100102629194 [0,2,0,0,0,0|2,0,0]=4 18477 B13R1.555 C/C=C/COCc1ccccc1C 34a_100016270725_100000211839 [0,2,0,0,0,0|2,0,0]=4 18478 B13R1.555 C/C=C/COCc1ccccc1C 7a_100000698903_100102629194 [0,2,0,0,0,0|2,0,0]=4 18479 B13R1.555 C/C=C/COCc1ccccc1Cl 34a_100000210847_100102629194 [0,2,0,0,0,0|1,0,0]=3 18480 B13R1.555 C/C=C/COCc1ccccc1Cl 34a_100016270725_100000187162 [0,2,0,0,0,0|1,0,0]=3 18481 B13R1.555 C/C=C/COCc1ccccc1Cl 7a_100000210847_100102629194 [0,2,0,0,0,0|1,0,0]=3 18482 B13R1.555 C/C=C/COCc1ccccc1F 34a_100000211962_100102629194 [0,2,0,0,0,0|1,1,0]=4 18483 B13R1.555 C/C=C/COCc1ccccc1F 34a_100016270725_100000211605 [0,2,0,0,0,0|1,1,0]=4 18484 B13R1.555 C/C=C/COCc1ccccc1F 7a_100000211962_100102629194 [0,2,0,0,0,0|1,1,0]=4 18485 B13R1.555 C/C=C/COCc1ccccc1I 34a_100000187465_100102629194 [0,2,0,0,0,0|1,1,0]=4 18486 B13R1.555 C/C=C/COCc1ccccc1I 34a_100016270725_100011215278 [0,2,0,0,0,0|1,1,0]=4 18487 B13R1.555 C/C=C/COCc1ccccc1I 7a_100000187465_100102629194 [0,2,0,0,0,0|1,1,0]=4 18488 B13R1.555 C/C=C/COCc1ccccc1N 34a_100000212039_100102629194 [0,2,0,0,0,0|2,0,0]=4 18489 B13R1.555 C/C=C/COCc1cccnc1Cl 34a_100000748726_100102629194 [0,2,0,0,0,0|2,0,0]=4 18490 B13R1.555 C/C=C/COCc1cccnc1Cl 34a_100016270725_100000045678 [0,2,0,0,0,0|2,0,0]=4 18491 B13R1.555 C/C=C/COCc1cccnc1Cl 7a_100000748726_100102629194 [0,2,0,0,0,0|2,0,0]=4 18492 B13R1.555 C/C=C/COCc1cnccc1Cl 34a_100000117392_100102629194 [0,2,0,0,0,0|2,0,0]=4 18493 B13R1.555 C/C=C/COCc1ncccc1Cl 34a_100012002383_100102629194 [0,2,0,0,0,0|2,0,0]=4 18494 B13R1.555 C/C=C/CSCc1ccccc1Br 62a_100000184730_100102629194 [0,2,0,0,0,0|1,1,0]=4 18495 B13R1.555 C/C=C/CSCc1ccccc1Br 62a_100102629194_100000184730 [0,2,0,0,0,0|1,1,0]=4 18496 B13R1.555 C/C=C/CSCc1ccccc1C 62a_100000211839_100102629194 [0,2,0,0,0,0|2,0,0]=4 18497 B13R1.555 C/C=C/CSCc1ccccc1C 62a_100102629194_100000211839 [0,2,0,0,0,0|2,0,0]=4 18498 B13R1.555 C/C=C/CSCc1ccccc1Cl 62a_100000187162_100102629194 [0,2,0,0,0,0|1,0,0]=3 18499 B13R1.555 C/C=C/CSCc1ccccc1Cl 62a_100102629194_100000187162 [0,2,0,0,0,0|1,0,0]=3 18500 B13R1.555 C/C=C/CSCc1ccccc1F 62a_100000211605_100102629194 [0,2,0,0,0,0|1,1,0]=4 18501 B13R1.555 C/C=C/CSCc1ccccc1F 62a_100102629194_100000211605 [0,2,0,0,0,0|1,1,0]=4 18502 B13R1.555 C/C=C/CSCc1ccccc1I 62a_100011216222_100102629194 [0,2,0,0,0,0|1,1,0]=4 18503 B13R1.555 C/C=C/CSCc1ccccc1I 62a_100102629194_100011216222 [0,2,0,0,0,0|1,1,0]=4 18504 B13R1.555 C/C=C/CSCc1cccnc1Cl 62a_100000045678_100102629194 [0,2,0,0,0,0|2,0,0]=4 18505 B13R1.555 C/C=C/CSCc1cccnc1Cl 62a_100102629194_100000045678 [0,2,0,0,0,0|2,0,0]=4 18506 B13R1.555 C/C=C/CSCc1ccncc1Cl 62a_100000763264_100102629194 [0,2,0,0,0,0|2,0,0]=4 18507 B13R1.555 C/C=C/CSCc1ccncc1Cl 62a_100102629194_100000763264 [0,2,0,0,0,0|2,0,0]=4 18508 B13R1.555 C/C=C/CSCc1ncccc1Cl 62a_100000099807_100102629194 [0,2,0,0,0,0|2,0,0]=4 18509 B13R1.555 C/C=C/CSCc1ncccc1Cl 62a_100102629194_100000099807 [0,2,0,0,0,0|2,0,0]=4 18510 B13R1.555 C=CCCCNc1ccccc1Cl 34a_100000185783_100000757094 [0,2,0,0,0,0|1,0,1]=4 18511 B13R1.555 C=CCCCOc1ccccc1Cl 34a_100000210172_100000757094 [0,2,0,0,0,0|1,0,1]=4 18512 B13R1.555 C=CCCCOc1ccccc1Cl 7a_100000210172_100000757094 [0,2,0,0,0,0|1,0,1]=4 18513 B13R1.555 C=CCCCSc1ccccc1Cl 62a_100000764095_100000757094 [0,2,0,0,0,0|1,0,1]=4 18514 B13R1.555 C=CCCCSc1ccccc1Cl 62a_100011713584_100000764095 [0,2,0,0,0,0|1,0,1]=4 18515 B13R1.555 C=CCCNCc1ccccc1Cl 207a_100015191253_100000210073 [0,2,0,0,0,0|1,0,1]=4 18516 B13R1.555 C=CCCNCc1ccccc1Cl 2230a_100000174879_100000754431 [0,2,0,0,0,0|1,0,1]=4 18517 B13R1.555 C=CCCNCc1ccccc1Cl 2230a_100015191253_100000187162 [0,2,0,0,0,0|1,0,1]=4 18518 B13R1.555 C=CCCNCc1ccccc1Cl 270004a_100015191253_100000210073 [0,2,0,0,0,0|1,0,1]=4 18519 B13R1.555 C=CCCNCc1ccccc1Cl 34a_100000174879_100000754431 [0,2,0,0,0,0|1,0,1]=4 18520 B13R1.555 C=CCCOCc1ccccc1Cl 34a_100000210847_100000754431 [0,2,0,0,0,0|1,0,1]=4 18521 B13R1.555 C=CCCOCc1ccccc1Cl 34a_100011205117_100000187162 [0,2,0,0,0,0|1,0,1]=4 18522 B13R1.555 C=CCCOCc1ccccc1Cl 7a_100000210847_100000754431 [0,2,0,0,0,0|1,0,1]=4 18523 B13R1.555 C=CCCSCc1ccccc1Cl 62a_100000187162_100000754431 [0,2,0,0,0,0|1,0,1]=4 18524 B13R1.555 C=CCCSCc1ccccc1Cl 62a_100000754431_100000187162 [0,2,0,0,0,0|1,0,1]=4 18525 B13R1.555 C=CCNCCc1ccccc1Br 2230a_100000747383_100000210623 [0,2,0,0,0,0|0,1,0]=3 18526 B13R1.555 C=CCNCCc1ccccc1Br 2230a_100020586998_100012161201 [0,2,0,0,0,0|0,1,0]=3 18527 B13R1.555 C=CCNCCc1ccccc1Br 34a_100000747383_100015514636 [0,2,0,0,0,0|0,1,0]=3 18528 B13R1.555 C=CCNCCc1ccccc1C 2230a_100000685071_100000210623 [0,2,0,0,0,0|1,0,0]=3 18529 B13R1.555 C=CCNCCc1ccccc1C 2230a_100020586998_100011713688 [0,2,0,0,0,0|1,0,0]=3 18530 B13R1.555 C=CCNCCc1ccccc1C 34a_100000685071_100015514636 [0,2,0,0,0,0|1,0,0]=3 18531 B13R1.555 C=CCNCCc1ccccc1Cl 2230a_100011207228_100000210623 [0,2,0,0,0,0|0,0,0]=2 18532 B13R1.555 C=CCNCCc1ccccc1Cl 2230a_100020586998_100011713703 [0,2,0,0,0,0|0,0,0]=2 18533 B13R1.555 C=CCNCCc1ccccc1Cl 270004a_100020586998_200011713468 [0,2,0,0,0,0|0,0,0]=2 18534 B13R1.555 C=CCNCCc1ccccc1Cl 34a_100011207228_100015514636 [0,2,0,0,0,0|0,0,0]=2 18535 B13R1.555 C=CCNCCc1ccccc1F 2230a_100000185272_100000210623 [0,2,0,0,0,0|0,1,0]=3 18536 B13R1.555 C=CCNCCc1ccccc1F 2230a_100020586998_100011713696 [0,2,0,0,0,0|0,1,0]=3 18537 B13R1.555 C=CCNCCc1ccccc1F 34a_100000185272_100015514636 [0,2,0,0,0,0|0,1,0]=3 18538 B13R1.555 C=CCNCCc1ccccc1O 34a_100011207237_100015514636 [0,2,0,0,0,0|1,0,0]=3 18539 B13R1.555 C=CCNCCn1ccccc1=O 2230a_100000687133_100000210623 [0,2,0,0,0,0|2,0,0]=4 18540 B13R1.555 C=CCOCCc1ccccc1Br 34a_100000731337_100015514636 [0,2,0,0,0,0|1,1,0]=4 18541 B13R1.555 C=CCOCCc1ccccc1Br 34a_200000210373_100012161201 [0,2,0,0,0,0|1,1,0]=4 18542 B13R1.555 C=CCOCCc1ccccc1Br 7a_100000731337_100015514636 [0,2,0,0,0,0|1,1,0]=4 18543 B13R1.555 C=CCOCCc1ccccc1C 34a_100011220023_100015514636 [0,2,0,0,0,0|2,0,0]=4 18544 B13R1.555 C=CCOCCc1ccccc1C 34a_200000210373_100011713688 [0,2,0,0,0,0|2,0,0]=4 18545 B13R1.555 C=CCOCCc1ccccc1C 7a_100011220023_100015514636 [0,2,0,0,0,0|2,0,0]=4 18546 B13R1.555 C=CCOCCc1ccccc1Cl 34a_100011215284_100015514636 [0,2,0,0,0,0|1,0,0]=3 18547 B13R1.555 C=CCOCCc1ccccc1Cl 34a_200000210373_100011713703 [0,2,0,0,0,0|1,0,0]=3 18548 B13R1.555 C=CCOCCc1ccccc1Cl 7a_100011215284_100015514636 [0,2,0,0,0,0|1,0,0]=3 18549 B13R1.555 C=CCOCCc1ccccc1F 34a_100000753711_100015514636 [0,2,0,0,0,0|1,1,0]=4 18550 B13R1.555 C=CCOCCc1ccccc1F 34a_200000210373_100000720011 [0,2,0,0,0,0|1,1,0]=4 18551 B13R1.555 C=CCOCCc1ccccc1F 7a_100000753711_100015514636 [0,2,0,0,0,0|1,1,0]=4 18552 B13R1.555 C=CCOCCc1ccccc1I 34a_100010255290_100015514636 [0,2,0,0,0,0|1,1,0]=4 18553 B13R1.555 C=CCOCCc1ccccc1I 7a_100010255290_100015514636 [0,2,0,0,0,0|1,1,0]=4 18554 B13R1.555 C=CCOCCc1ccccc1N 34a_100011215289_100015514636 [0,2,0,0,0,0|2,0,0]=4 18555 B13R1.555 C=CCOCCc1ccccc1O 34a_200000210373_100000722297 [0,2,0,0,0,0|2,0,0]=4 18556 B13R1.555 C=CCSCCc1ccccc1Br 62a_100000210623_100012161201 [0,2,0,0,0,0|1,1,0]=4 18557 B13R1.555 C=CCSCCc1ccccc1Br 62a_100012161201_100000210623 [0,2,0,0,0,0|1,1,0]=4 18558 B13R1.555 C=CCSCCc1ccccc1C 62a_100000210623_100011713688 [0,2,0,0,0,0|2,0,0]=4 18559 B13R1.555 C=CCSCCc1ccccc1C 62a_100011713688_100000210623 [0,2,0,0,0,0|2,0,0]=4 18560 B13R1.555 C=CCSCCc1ccccc1Cl 62a_100000210623_100011713703 [0,2,0,0,0,0|1,0,0]=3 18561 B13R1.555 C=CCSCCc1ccccc1Cl 62a_100011713703_100000210623 [0,2,0,0,0,0|1,0,0]=3 18562 B13R1.555 C=CCSCCc1ccccc1F 62a_100000210623_100011713696 [0,2,0,0,0,0|1,1,0]=4 18563 B13R1.555 C=CCSCCc1ccccc1F 62a_100011713696_100000210623 [0,2,0,0,0,0|1,1,0]=4 18564 B13R1.555 C=CCSCCc1ccccc1O 62a_100000210623_100000722297 [0,2,0,0,0,0|2,0,0]=4 18565 B13R1.555 C=CCSCCc1ccccc1O 62a_100000722297_100000210623 [0,2,0,0,0,0|2,0,0]=4 18566 B13R1.555 C=COCCNc1ccccc1Cl 34a_100000185783_100000039644 [0,2,0,0,0,0|1,0,1]=4 18567 B13R1.555 C=COCCOc1ccccc1Cl 34a_100000210172_100000039644 [0,2,0,0,0,0|1,0,1]=4 18568 B13R1.555 C=COCCOc1ccccc1Cl 7a_100000210172_100000039644 [0,2,0,0,0,0|1,0,1]=4 18569 B13R1.555 C=COCCSc1ccccc1Cl 62a_100000039644_100000764095 [0,2,0,0,0,0|1,0,1]=4 18570 B13R1.555 C=COCCSc1ccccc1Cl 62a_100000764095_100000039644 [0,2,0,0,0,0|1,0,1]=4 18571 B13R1.555 CC#CCNCc1ccccc1Br 2230a_100000685387_100000184730 [0,2,0,0,0,0|1,1,0]=4 18572 B13R1.555 CC#CCNCc1ccccc1Br 2230a_100000689332_100000748600 [0,2,0,0,0,0|1,1,0]=4 18573 B13R1.555 CC#CCNCc1ccccc1Br 34a_100000685387_100000184730 [0,2,0,0,0,0|1,1,0]=4 18574 B13R1.555 CC#CCNCc1ccccc1Br 34a_100000689332_100000748600 [0,2,0,0,0,0|1,1,0]=4 18575 B13R1.555 CC#CCNCc1ccccc1C 2230a_100000685387_100000211839 [0,2,0,0,0,0|2,0,0]=4 18576 B13R1.555 CC#CCNCc1ccccc1C 34a_100000174972_100000748600 [0,2,0,0,0,0|2,0,0]=4 18577 B13R1.555 CC#CCNCc1ccccc1C 34a_100000685387_100000211839 [0,2,0,0,0,0|2,0,0]=4 18578 B13R1.555 CC#CCNCc1ccccc1Cl 2230a_100000174879_100000748600 [0,2,0,0,0,0|1,0,0]=3 18579 B13R1.555 CC#CCNCc1ccccc1Cl 2230a_100000685387_100000187162 [0,2,0,0,0,0|1,0,0]=3 18580 B13R1.555 CC#CCNCc1ccccc1Cl 34a_100000174879_100000748600 [0,2,0,0,0,0|1,0,0]=3 18581 B13R1.555 CC#CCNCc1ccccc1Cl 34a_100000685387_100000187162 [0,2,0,0,0,0|1,0,0]=3 18582 B13R1.555 CC#CCNCc1ccccc1F 2230a_100000685387_100000211605 [0,2,0,0,0,0|1,1,0]=4 18583 B13R1.555 CC#CCNCc1ccccc1F 34a_100000174869_100000748600 [0,2,0,0,0,0|1,1,0]=4 18584 B13R1.555 CC#CCNCc1ccccc1F 34a_100000685387_100000211605 [0,2,0,0,0,0|1,1,0]=4 18585 B13R1.555 CC#CCNCc1ccccc1I 2230a_100000685387_100011215278 [0,2,0,0,0,0|1,1,0]=4 18586 B13R1.555 CC#CCNCc1ccccc1I 34a_100000685387_100011215278 [0,2,0,0,0,0|1,1,0]=4 18587 B13R1.555 CC#CCNCc1ccccc1O 34a_100000185550_100000748600 [0,2,0,0,0,0|2,0,0]=4 18588 B13R1.555 CC#CCNCc1cccnc1Cl 2230a_100000685387_100000045678 [0,2,0,0,0,0|2,0,0]=4 18589 B13R1.555 CC#CCNCc1cccnc1Cl 2230a_100015189234_100000748600 [0,2,0,0,0,0|2,0,0]=4 18590 B13R1.555 CC#CCNCc1cccnc1Cl 34a_100000685387_100000045678 [0,2,0,0,0,0|2,0,0]=4 18591 B13R1.555 CC#CCNCc1cccnc1Cl 34a_100015189234_100000748600 [0,2,0,0,0,0|2,0,0]=4 18592 B13R1.555 CC#CCNCc1ccncc1Cl 2230a_100000685387_100000763264 [0,2,0,0,0,0|2,0,0]=4 18593 B13R1.555 CC#CCNCc1ncccc1Cl 2230a_100000685387_100000099807 [0,2,0,0,0,0|2,0,0]=4 18594 B13R1.555 CC#CCNCc1ncccc1Cl 2230a_100015189233_100000748600 [0,2,0,0,0,0|2,0,0]=4 18595 B13R1.555 CC#CCOCc1ccccc1Br 34a_100000756307_100000748600 [0,2,0,0,0,0|1,1,0]=4 18596 B13R1.555 CC#CCOCc1ccccc1Br 34a_100000761923_100000184730 [0,2,0,0,0,0|1,1,0]=4 18597 B13R1.555 CC#CCOCc1ccccc1Br 7a_100000756307_100000748600 [0,2,0,0,0,0|1,1,0]=4 18598 B13R1.555 CC#CCOCc1ccccc1C 34a_100000698903_100000748600 [0,2,0,0,0,0|2,0,0]=4 18599 B13R1.555 CC#CCOCc1ccccc1C 34a_100000761923_100000211839 [0,2,0,0,0,0|2,0,0]=4 18600 B13R1.555 CC#CCOCc1ccccc1C 7a_100000698903_100000748600 [0,2,0,0,0,0|2,0,0]=4 18601 B13R1.555 CC#CCOCc1ccccc1Cl 34a_100000210847_100000748600 [0,2,0,0,0,0|1,0,0]=3 18602 B13R1.555 CC#CCOCc1ccccc1Cl 34a_100000761923_100000187162 [0,2,0,0,0,0|1,0,0]=3 18603 B13R1.555 CC#CCOCc1ccccc1Cl 7a_100000210847_100000748600 [0,2,0,0,0,0|1,0,0]=3 18604 B13R1.555 CC#CCOCc1ccccc1F 34a_100000211962_100000748600 [0,2,0,0,0,0|1,1,0]=4 18605 B13R1.555 CC#CCOCc1ccccc1F 34a_100000761923_100000211605 [0,2,0,0,0,0|1,1,0]=4 18606 B13R1.555 CC#CCOCc1ccccc1F 7a_100000211962_100000748600 [0,2,0,0,0,0|1,1,0]=4 18607 B13R1.555 CC#CCOCc1ccccc1I 34a_100000187465_100000748600 [0,2,0,0,0,0|1,1,0]=4 18608 B13R1.555 CC#CCOCc1ccccc1I 34a_100000761923_100011215278 [0,2,0,0,0,0|1,1,0]=4 18609 B13R1.555 CC#CCOCc1ccccc1I 7a_100000187465_100000748600 [0,2,0,0,0,0|1,1,0]=4 18610 B13R1.555 CC#CCOCc1ccccc1N 34a_100000212039_100000748600 [0,2,0,0,0,0|2,0,0]=4 18611 B13R1.555 CC#CCOCc1cccnc1Cl 34a_100000748726_100000748600 [0,2,0,0,0,0|2,0,0]=4 18612 B13R1.555 CC#CCOCc1cccnc1Cl 34a_100000761923_100000045678 [0,2,0,0,0,0|2,0,0]=4 18613 B13R1.555 CC#CCOCc1cccnc1Cl 7a_100000748726_100000748600 [0,2,0,0,0,0|2,0,0]=4 18614 B13R1.555 CC#CCOCc1cnccc1Cl 34a_100000117392_100000748600 [0,2,0,0,0,0|2,0,0]=4 18615 B13R1.555 CC#CCOCc1ncccc1Cl 34a_100012002383_100000748600 [0,2,0,0,0,0|2,0,0]=4 18616 B13R1.555 CC#CCSCc1ccccc1Br 62a_100000184730_100000748600 [0,2,0,0,0,0|1,1,0]=4 18617 B13R1.555 CC#CCSCc1ccccc1Br 62a_100000748600_100000184730 [0,2,0,0,0,0|1,1,0]=4 18618 B13R1.555 CC#CCSCc1ccccc1C 62a_100000211839_100000748600 [0,2,0,0,0,0|2,0,0]=4 18619 B13R1.555 CC#CCSCc1ccccc1C 62a_100000748600_100000211839 [0,2,0,0,0,0|2,0,0]=4 18620 B13R1.555 CC#CCSCc1ccccc1Cl 62a_100000187162_100000748600 [0,2,0,0,0,0|1,0,0]=3 18621 B13R1.555 CC#CCSCc1ccccc1Cl 62a_100000748600_100000187162 [0,2,0,0,0,0|1,0,0]=3 18622 B13R1.555 CC#CCSCc1ccccc1F 62a_100000211605_100000748600 [0,2,0,0,0,0|1,1,0]=4 18623 B13R1.555 CC#CCSCc1ccccc1F 62a_100000748600_100000211605 [0,2,0,0,0,0|1,1,0]=4 18624 B13R1.555 CC#CCSCc1ccccc1I 62a_100000748600_100011216222 [0,2,0,0,0,0|1,1,0]=4 18625 B13R1.555 CC#CCSCc1ccccc1I 62a_100011216222_100000748600 [0,2,0,0,0,0|1,1,0]=4 18626 B13R1.555 CC#CCSCc1cccnc1Cl 62a_100000045678_100000748600 [0,2,0,0,0,0|2,0,0]=4 18627 B13R1.555 CC#CCSCc1cccnc1Cl 62a_100000748600_100000045678 [0,2,0,0,0,0|2,0,0]=4 18628 B13R1.555 CC#CCSCc1ccncc1Cl 62a_100000748600_100000763264 [0,2,0,0,0,0|2,0,0]=4 18629 B13R1.555 CC#CCSCc1ccncc1Cl 62a_100000763264_100000748600 [0,2,0,0,0,0|2,0,0]=4 18630 B13R1.555 CC#CCSCc1ncccc1Cl 62a_100000099807_100000748600 [0,2,0,0,0,0|2,0,0]=4 18631 B13R1.555 CC#CCSCc1ncccc1Cl 62a_100000748600_100000099807 [0,2,0,0,0,0|2,0,0]=4 18632 B13R1.555 CC/C=C\CNc1ccccc1Cl 34a_100000185783_100103147603 [0,2,0,0,0,0|1,0,1]=4 18633 B13R1.555 CC/C=C\COc1ccccc1Cl 34a_100000210172_100103147603 [0,2,0,0,0,0|1,0,1]=4 18634 B13R1.555 CC/C=C\COc1ccccc1Cl 7a_100000210172_100103147603 [0,2,0,0,0,0|1,0,1]=4 18635 B13R1.555 CC/C=C\CSc1ccccc1Cl 62a_100000764095_100103147603 [0,2,0,0,0,0|1,0,1]=4 18636 B13R1.555 CC/C=C\CSc1ccccc1Cl 62a_100103147603_100000764095 [0,2,0,0,0,0|1,0,1]=4 18637 B13R1.555 CC=CCNCc1ccccc1Br 2230a_100000689332_100000070051 [0,2,0,0,0,0|1,1,0]=4 18638 B13R1.555 CC=CCNCc1ccccc1Br 34a_100000689332_100000070051 [0,2,0,0,0,0|1,1,0]=4 18639 B13R1.555 CC=CCNCc1ccccc1C 34a_100000174972_100000070051 [0,2,0,0,0,0|2,0,0]=4 18640 B13R1.555 CC=CCNCc1ccccc1Cl 2230a_100000174879_100000070051 [0,2,0,0,0,0|1,0,0]=3 18641 B13R1.555 CC=CCNCc1ccccc1Cl 34a_100000174879_100000070051 [0,2,0,0,0,0|1,0,0]=3 18642 B13R1.555 CC=CCNCc1ccccc1F 34a_100000174869_100000070051 [0,2,0,0,0,0|1,1,0]=4 18643 B13R1.555 CC=CCNCc1ccccc1O 34a_100000185550_100000070051 [0,2,0,0,0,0|2,0,0]=4 18644 B13R1.555 CC=CCNCc1cccnc1Cl 2230a_100015189234_100000070051 [0,2,0,0,0,0|2,0,0]=4 18645 B13R1.555 CC=CCNCc1cccnc1Cl 34a_100015189234_100000070051 [0,2,0,0,0,0|2,0,0]=4 18646 B13R1.555 CC=CCNCc1ncccc1Cl 2230a_100015189233_100000070051 [0,2,0,0,0,0|2,0,0]=4 18647 B13R1.555 CC=CCOCc1ccccc1Br 34a_100000756307_100000070051 [0,2,0,0,0,0|1,1,0]=4 18648 B13R1.555 CC=CCOCc1ccccc1Br 7a_100000756307_100000070051 [0,2,0,0,0,0|1,1,0]=4 18649 B13R1.555 CC=CCOCc1ccccc1C 34a_100000698903_100000070051 [0,2,0,0,0,0|2,0,0]=4 18650 B13R1.555 CC=CCOCc1ccccc1C 7a_100000698903_100000070051 [0,2,0,0,0,0|2,0,0]=4 18651 B13R1.555 CC=CCOCc1ccccc1Cl 34a_100000210847_100000070051 [0,2,0,0,0,0|1,0,0]=3 18652 B13R1.555 CC=CCOCc1ccccc1Cl 7a_100000210847_100000070051 [0,2,0,0,0,0|1,0,0]=3 18653 B13R1.555 CC=CCOCc1ccccc1F 34a_100000211962_100000070051 [0,2,0,0,0,0|1,1,0]=4 18654 B13R1.555 CC=CCOCc1ccccc1F 7a_100000211962_100000070051 [0,2,0,0,0,0|1,1,0]=4 18655 B13R1.555 CC=CCOCc1ccccc1I 34a_100000187465_100000070051 [0,2,0,0,0,0|1,1,0]=4 18656 B13R1.555 CC=CCOCc1ccccc1I 7a_100000187465_100000070051 [0,2,0,0,0,0|1,1,0]=4 18657 B13R1.555 CC=CCOCc1ccccc1N 34a_100000212039_100000070051 [0,2,0,0,0,0|2,0,0]=4 18658 B13R1.555 CC=CCOCc1cccnc1Cl 34a_100000748726_100000070051 [0,2,0,0,0,0|2,0,0]=4 18659 B13R1.555 CC=CCOCc1cccnc1Cl 7a_100000748726_100000070051 [0,2,0,0,0,0|2,0,0]=4 18660 B13R1.555 CC=CCOCc1cnccc1Cl 34a_100000117392_100000070051 [0,2,0,0,0,0|2,0,0]=4 18661 B13R1.555 CC=CCOCc1ncccc1Cl 34a_100012002383_100000070051 [0,2,0,0,0,0|2,0,0]=4 18662 B13R1.555 CC=CCSCc1ccccc1Br 62a_100000070051_100000184730 [0,2,0,0,0,0|1,1,0]=4 18663 B13R1.555 CC=CCSCc1ccccc1Br 62a_100000184730_100000070051 [0,2,0,0,0,0|1,1,0]=4 18664 B13R1.555 CC=CCSCc1ccccc1C 62a_100000070051_100000211839 [0,2,0,0,0,0|2,0,0]=4 18665 B13R1.555 CC=CCSCc1ccccc1C 62a_100000211839_100000070051 [0,2,0,0,0,0|2,0,0]=4 18666 B13R1.555 CC=CCSCc1ccccc1Cl 62a_100000070051_100000187162 [0,2,0,0,0,0|1,0,0]=3 18667 B13R1.555 CC=CCSCc1ccccc1Cl 62a_100000187162_100000070051 [0,2,0,0,0,0|1,0,0]=3 18668 B13R1.555 CC=CCSCc1ccccc1F 62a_100000070051_100000211605 [0,2,0,0,0,0|1,1,0]=4 18669 B13R1.555 CC=CCSCc1ccccc1F 62a_100000211605_100000070051 [0,2,0,0,0,0|1,1,0]=4 18670 B13R1.555 CC=CCSCc1ccccc1I 62a_100000070051_100011216222 [0,2,0,0,0,0|1,1,0]=4 18671 B13R1.555 CC=CCSCc1ccccc1I 62a_100011216222_100000070051 [0,2,0,0,0,0|1,1,0]=4 18672 B13R1.555 CC=CCSCc1cccnc1Cl 62a_100000045678_100000070051 [0,2,0,0,0,0|2,0,0]=4 18673 B13R1.555 CC=CCSCc1cccnc1Cl 62a_100000070051_100000045678 [0,2,0,0,0,0|2,0,0]=4 18674 B13R1.555 CC=CCSCc1ccncc1Cl 62a_100000070051_100000763264 [0,2,0,0,0,0|2,0,0]=4 18675 B13R1.555 CC=CCSCc1ccncc1Cl 62a_100000763264_100000070051 [0,2,0,0,0,0|2,0,0]=4 18676 B13R1.555 CC=CCSCc1ncccc1Cl 62a_100000070051_100000099807 [0,2,0,0,0,0|2,0,0]=4 18677 B13R1.555 CC=CCSCc1ncccc1Cl 62a_100000099807_100000070051 [0,2,0,0,0,0|2,0,0]=4 18678 B13R1.555 CCC#CCNc1ccccc1Cl 34a_100000185783_100009813939 [0,2,0,0,0,0|1,0,1]=4 18679 B13R1.555 CCC#CCOc1ccccc1Cl 34a_100000210172_100009813939 [0,2,0,0,0,0|1,0,1]=4 18680 B13R1.555 CCC#CCOc1ccccc1Cl 7a_100000210172_100009813939 [0,2,0,0,0,0|1,0,1]=4 18681 B13R1.555 CCC#CCSc1ccccc1Cl 62a_100000764095_100009813939 [0,2,0,0,0,0|1,0,1]=4 18682 B13R1.555 CCC#CCSc1ccccc1Cl 62a_100009813939_100000764095 [0,2,0,0,0,0|1,0,1]=4 18683 B13R1.555 CCC=NNCc1ccccc1Cl 4a_100015187261_100000210100 [0,2,0,0,0,0|1,0,1]=4 18684 B13R1.555 CCCC=NNc1ccccc1Cl 4a_100000683529_100000185831 [0,2,0,0,0,0|1,0,1]=4 18685 B13R1.555 CCCCC=Cc1ccccc1Br 271570a_100016275911_100000695589 [0,2,0,0,0,0|1,1,0]=4 18686 B13R1.555 CCCCC=Cc1ccccc1C 271570a_100016275911_100000210755 [0,2,0,0,0,0|2,0,0]=4 18687 B13R1.555 CCCCC=Cc1ccccc1Cl 271570a_100016275911_100000764095 [0,2,0,0,0,0|1,0,0]=3 18688 B13R1.555 CCCCC=Cc1ccccc1F 271570a_100016275911_100011215700 [0,2,0,0,0,0|1,1,0]=4 18689 B13R1.555 CCCCC=Cc1ccccc1N 271570a_100016275911_100000210017 [0,2,0,0,0,0|2,0,0]=4 18690 B13R1.555 CCCCC=Cc1ccccc1O 271570a_100016275911_100000739446 [0,2,0,0,0,0|2,0,0]=4 18691 B13R1.555 CCCCC=Cc1cccnc1Cl 271570a_100016275911_100000036424 [0,2,0,0,0,0|2,0,0]=4 18692 B13R1.555 CCCCC=Cc1ccncc1Cl 271570a_100016275911_100000708259 [0,2,0,0,0,0|2,0,0]=4 18693 B13R1.555 CCCCC=Cc1cnccc1Cl 271570a_100016275911_100009995489 [0,2,0,0,0,0|2,0,0]=4 18694 B13R1.555 CCCCC=Cc1ncccc1Cl 271570a_100016275911_100011356963 [0,2,0,0,0,0|2,0,0]=4 18695 B13R1.555 CCCCCNc1ccccc1Br 34a_100000210017_100000718602 [0,2,0,0,0,0|1,1,0]=4 18696 B13R1.555 CCCCCNc1ccccc1C 34a_100015192222_100000718602 [0,2,0,0,0,0|2,0,0]=4 18697 B13R1.555 CCCCCNc1ccccc1Cl 34a_100000185783_100000718602 [0,2,0,0,0,0|1,0,0]=3 18698 B13R1.555 CCCCCNc1ccccc1F 34a_100000210422_100000718602 [0,2,0,0,0,0|1,1,0]=4 18699 B13R1.555 CCCCCNc1ccccc1I 34a_100000210053_100000718602 [0,2,0,0,0,0|1,1,0]=4 18700 B13R1.555 CCCCCNc1ccccc1O 34a_100000185747_100000718602 [0,2,0,0,0,0|2,0,0]=4 18701 B13R1.555 CCCCCOc1ccccc1Br 34a_100000181306_100000718602 [0,2,0,0,0,0|1,1,0]=4 18702 B13R1.555 CCCCCOc1ccccc1Br 7a_100000181306_100000210326 [0,2,0,0,0,0|1,1,0]=4 18703 B13R1.555 CCCCCOc1ccccc1C 34a_100000210338_100000718602 [0,2,0,0,0,0|2,0,0]=4 18704 B13R1.555 CCCCCOc1ccccc1C 7a_100000210338_100000210326 [0,2,0,0,0,0|2,0,0]=4 18705 B13R1.555 CCCCCOc1ccccc1Cl 34a_100000210172_100000718602 [0,2,0,0,0,0|1,0,0]=3 18706 B13R1.555 CCCCCOc1ccccc1Cl 7a_100000210172_100000210326 [0,2,0,0,0,0|1,0,0]=3 18707 B13R1.555 CCCCCOc1ccccc1F 34a_100000210171_100000718602 [0,2,0,0,0,0|1,1,0]=4 18708 B13R1.555 CCCCCOc1ccccc1F 7a_100000210171_100000210326 [0,2,0,0,0,0|1,1,0]=4 18709 B13R1.555 CCCCCOc1ccccc1I 34a_100000739446_100000718602 [0,2,0,0,0,0|1,1,0]=4 18710 B13R1.555 CCCCCOc1ccccc1I 7a_100000739446_100000210326 [0,2,0,0,0,0|1,1,0]=4 18711 B13R1.555 CCCCCOc1ccccc1N 34a_100000185747_100000718602 [0,2,0,0,0,0|2,0,0]=4 18712 B13R1.555 CCCCCOc1ccccc1N 7a_100000185747_100000210326 [0,2,0,0,0,0|2,0,0]=4 18713 B13R1.555 CCCCCOc1cccnc1Cl 34a_100000757616_100000718602 [0,2,0,0,0,0|2,0,0]=4 18714 B13R1.555 CCCCCOc1cccnc1Cl 7a_100000757616_100000210326 [0,2,0,0,0,0|2,0,0]=4 18715 B13R1.555 CCCCCOc1ccncc1Cl 34a_100011997054_100000718602 [0,2,0,0,0,0|2,0,0]=4 18716 B13R1.555 CCCCCOc1cnccc1Cl 34a_100011996695_100000718602 [0,2,0,0,0,0|2,0,0]=4 18717 B13R1.555 CCCCCOc1ncccc1Cl 34a_100011290957_100000718602 [0,2,0,0,0,0|2,0,0]=4 18718 B13R1.555 CCCCCSc1ccccc1Br 62a_100000210326_100000695589 [0,2,0,0,0,0|1,1,0]=4 18719 B13R1.555 CCCCCSc1ccccc1Br 62a_100000695589_100000210326 [0,2,0,0,0,0|1,1,0]=4 18720 B13R1.555 CCCCCSc1ccccc1C 62a_100000210326_100000210755 [0,2,0,0,0,0|2,0,0]=4 18721 B13R1.555 CCCCCSc1ccccc1C 62a_100000210755_100000210326 [0,2,0,0,0,0|2,0,0]=4 18722 B13R1.555 CCCCCSc1ccccc1Cl 62a_100000210326_100000764095 [0,2,0,0,0,0|1,0,0]=3 18723 B13R1.555 CCCCCSc1ccccc1Cl 62a_100000764095_100000210326 [0,2,0,0,0,0|1,0,0]=3 18724 B13R1.555 CCCCCSc1ccccc1F 62a_100000210326_100011215700 [0,2,0,0,0,0|1,1,0]=4 18725 B13R1.555 CCCCCSc1ccccc1F 62a_100011215700_100000210326 [0,2,0,0,0,0|1,1,0]=4 18726 B13R1.555 CCCCCSc1ccccc1N 62a_100000210017_100000210326 [0,2,0,0,0,0|2,0,0]=4 18727 B13R1.555 CCCCCSc1ccccc1N 62a_100000210326_100000210017 [0,2,0,0,0,0|2,0,0]=4 18728 B13R1.555 CCCCCSc1ccccc1O 62a_100000210326_100000739446 [0,2,0,0,0,0|2,0,0]=4 18729 B13R1.555 CCCCCSc1ccccc1O 62a_100000739446_100000210326 [0,2,0,0,0,0|2,0,0]=4 18730 B13R1.555 CCCCCSc1cccnc1Cl 62a_100000036424_100000210326 [0,2,0,0,0,0|2,0,0]=4 18731 B13R1.555 CCCCCSc1cccnc1Cl 62a_100000210326_100000036424 [0,2,0,0,0,0|2,0,0]=4 18732 B13R1.555 CCCCCSc1ccncc1Cl 62a_100000210326_100000708259 [0,2,0,0,0,0|2,0,0]=4 18733 B13R1.555 CCCCCSc1ccncc1Cl 62a_100000708259_100000210326 [0,2,0,0,0,0|2,0,0]=4 18734 B13R1.555 CCCCCSc1cnccc1Cl 62a_100000210326_100009995489 [0,2,0,0,0,0|2,0,0]=4 18735 B13R1.555 CCCCCSc1cnccc1Cl 62a_100009995489_100000210326 [0,2,0,0,0,0|2,0,0]=4 18736 B13R1.555 CCCCCSc1ncccc1Cl 62a_100000210326_100011356963 [0,2,0,0,0,0|2,0,0]=4 18737 B13R1.555 CCCCCSc1ncccc1Cl 62a_100011356963_100000210326 [0,2,0,0,0,0|2,0,0]=4 18738 B13R1.555 CCCCNCc1ccccc1Br 207a_100000102301_100000211189 [0,2,0,0,0,0|1,1,0]=4 18739 B13R1.555 CCCCNCc1ccccc1Br 2230a_100000102301_100000184730 [0,2,0,0,0,0|1,1,0]=4 18740 B13R1.555 CCCCNCc1ccccc1Br 2230a_100000689332_100000210211 [0,2,0,0,0,0|1,1,0]=4 18741 B13R1.555 CCCCNCc1ccccc1Br 270004a_100000102301_100000211189 [0,2,0,0,0,0|1,1,0]=4 18742 B13R1.555 CCCCNCc1ccccc1Br 34a_100000689332_100000210210 [0,2,0,0,0,0|1,1,0]=4 18743 B13R1.555 CCCCNCc1ccccc1Br 7a_106832991798_100000184730 [0,2,0,0,0,0|1,1,0]=4 18744 B13R1.555 CCCCNCc1ccccc1C 207a_100000102301_100000211143 [0,2,0,0,0,0|2,0,0]=4 18745 B13R1.555 CCCCNCc1ccccc1C 2230a_100000102301_100000211839 [0,2,0,0,0,0|2,0,0]=4 18746 B13R1.555 CCCCNCc1ccccc1C 270004a_100000102301_100000211143 [0,2,0,0,0,0|2,0,0]=4 18747 B13R1.555 CCCCNCc1ccccc1C 34a_100000174972_100000210210 [0,2,0,0,0,0|2,0,0]=4 18748 B13R1.555 CCCCNCc1ccccc1C 7a_106832991798_100000211839 [0,2,0,0,0,0|2,0,0]=4 18749 B13R1.555 CCCCNCc1ccccc1Cl 207a_100000102301_100000210073 [0,2,0,0,0,0|1,0,0]=3 18750 B13R1.555 CCCCNCc1ccccc1Cl 2230a_100000102301_100000187162 [0,2,0,0,0,0|1,0,0]=3 18751 B13R1.555 CCCCNCc1ccccc1Cl 2230a_100000174879_100000210211 [0,2,0,0,0,0|1,0,0]=3 18752 B13R1.555 CCCCNCc1ccccc1Cl 270004a_100000102301_100000210073 [0,2,0,0,0,0|1,0,0]=3 18753 B13R1.555 CCCCNCc1ccccc1Cl 34a_100000174879_100000210210 [0,2,0,0,0,0|1,0,0]=3 18754 B13R1.555 CCCCNCc1ccccc1Cl 7a_106832991798_100000187162 [0,2,0,0,0,0|1,0,0]=3 18755 B13R1.555 CCCCNCc1ccccc1F 207a_100000102301_100000210811 [0,2,0,0,0,0|1,1,0]=4 18756 B13R1.555 CCCCNCc1ccccc1F 2230a_100000102301_100000211605 [0,2,0,0,0,0|1,1,0]=4 18757 B13R1.555 CCCCNCc1ccccc1F 270004a_100000102301_100000210811 [0,2,0,0,0,0|1,1,0]=4 18758 B13R1.555 CCCCNCc1ccccc1F 34a_100000174869_100000210210 [0,2,0,0,0,0|1,1,0]=4 18759 B13R1.555 CCCCNCc1ccccc1F 7a_106832991798_100000211605 [0,2,0,0,0,0|1,1,0]=4 18760 B13R1.555 CCCCNCc1ccccc1I 207a_100000102301_100000010305 [0,2,0,0,0,0|1,1,0]=4 18761 B13R1.555 CCCCNCc1ccccc1I 2230a_100000102301_100011215278 [0,2,0,0,0,0|1,1,0]=4 18762 B13R1.555 CCCCNCc1ccccc1I 270004a_100000102301_100000010305 [0,2,0,0,0,0|1,1,0]=4 18763 B13R1.555 CCCCNCc1ccccc1I 7a_106832991798_100011215278 [0,2,0,0,0,0|1,1,0]=4 18764 B13R1.555 CCCCNCc1ccccc1O 34a_100000185550_100000210210 [0,2,0,0,0,0|2,0,0]=4 18765 B13R1.555 CCCCNCc1cccnc1Cl 2230a_100000102301_100000045678 [0,2,0,0,0,0|2,0,0]=4 18766 B13R1.555 CCCCNCc1cccnc1Cl 2230a_100015189234_100000210211 [0,2,0,0,0,0|2,0,0]=4 18767 B13R1.555 CCCCNCc1cccnc1Cl 34a_100015189234_100000210210 [0,2,0,0,0,0|2,0,0]=4 18768 B13R1.555 CCCCNCc1cccnc1Cl 7a_106832991798_100000045678 [0,2,0,0,0,0|2,0,0]=4 18769 B13R1.555 CCCCNCc1ccncc1Cl 207a_100000102301_100011934409 [0,2,0,0,0,0|2,0,0]=4 18770 B13R1.555 CCCCNCc1ccncc1Cl 2230a_100000102301_100000763264 [0,2,0,0,0,0|2,0,0]=4 18771 B13R1.555 CCCCNCc1ccncc1Cl 270004a_100000102301_100011934409 [0,2,0,0,0,0|2,0,0]=4 18772 B13R1.555 CCCCNCc1ccncc1Cl 7a_106832991798_100000763264 [0,2,0,0,0,0|2,0,0]=4 18773 B13R1.555 CCCCNCc1cnccc1Cl 270004a_100000102301_100000050567 [0,2,0,0,0,0|2,0,0]=4 18774 B13R1.555 CCCCNCc1ncccc1Cl 207a_100000102301_100012001307 [0,2,0,0,0,0|2,0,0]=4 18775 B13R1.555 CCCCNCc1ncccc1Cl 2230a_100000102301_100000099807 [0,2,0,0,0,0|2,0,0]=4 18776 B13R1.555 CCCCNCc1ncccc1Cl 2230a_100015189233_100000210211 [0,2,0,0,0,0|2,0,0]=4 18777 B13R1.555 CCCCNCc1ncccc1Cl 270004a_100000102301_100012001307 [0,2,0,0,0,0|2,0,0]=4 18778 B13R1.555 CCCCNCc1ncccc1Cl 7a_106832991798_100000099807 [0,2,0,0,0,0|2,0,0]=4 18779 B13R1.555 CCCCOCc1ccccc1Br 34a_100000210227_100000184730 [0,2,0,0,0,0|1,1,0]=4 18780 B13R1.555 CCCCOCc1ccccc1Br 34a_100000756307_100000210210 [0,2,0,0,0,0|1,1,0]=4 18781 B13R1.555 CCCCOCc1ccccc1Br 7a_100000210227_100000184730 [0,2,0,0,0,0|1,1,0]=4 18782 B13R1.555 CCCCOCc1ccccc1Br 7a_100000756307_100000210211 [0,2,0,0,0,0|1,1,0]=4 18783 B13R1.555 CCCCOCc1ccccc1C 34a_100000210227_100000211839 [0,2,0,0,0,0|2,0,0]=4 18784 B13R1.555 CCCCOCc1ccccc1C 34a_100000698903_100000210210 [0,2,0,0,0,0|2,0,0]=4 18785 B13R1.555 CCCCOCc1ccccc1C 7a_100000210227_100000211839 [0,2,0,0,0,0|2,0,0]=4 18786 B13R1.555 CCCCOCc1ccccc1C 7a_100000698903_100000210211 [0,2,0,0,0,0|2,0,0]=4 18787 B13R1.555 CCCCOCc1ccccc1Cl 34a_100000210227_100000187162 [0,2,0,0,0,0|1,0,0]=3 18788 B13R1.555 CCCCOCc1ccccc1Cl 34a_100000210847_100000210210 [0,2,0,0,0,0|1,0,0]=3 18789 B13R1.555 CCCCOCc1ccccc1Cl 7a_100000210227_100000187162 [0,2,0,0,0,0|1,0,0]=3 18790 B13R1.555 CCCCOCc1ccccc1Cl 7a_100000210847_100000210211 [0,2,0,0,0,0|1,0,0]=3 18791 B13R1.555 CCCCOCc1ccccc1F 34a_100000210227_100000211605 [0,2,0,0,0,0|1,1,0]=4 18792 B13R1.555 CCCCOCc1ccccc1F 34a_100000211962_100000210210 [0,2,0,0,0,0|1,1,0]=4 18793 B13R1.555 CCCCOCc1ccccc1F 7a_100000210227_100000211605 [0,2,0,0,0,0|1,1,0]=4 18794 B13R1.555 CCCCOCc1ccccc1F 7a_100000211962_100000210211 [0,2,0,0,0,0|1,1,0]=4 18795 B13R1.555 CCCCOCc1ccccc1I 34a_100000187465_100000210210 [0,2,0,0,0,0|1,1,0]=4 18796 B13R1.555 CCCCOCc1ccccc1I 34a_100000210227_100011215278 [0,2,0,0,0,0|1,1,0]=4 18797 B13R1.555 CCCCOCc1ccccc1I 7a_100000187465_100000210211 [0,2,0,0,0,0|1,1,0]=4 18798 B13R1.555 CCCCOCc1ccccc1I 7a_100000210227_100011215278 [0,2,0,0,0,0|1,1,0]=4 18799 B13R1.555 CCCCOCc1ccccc1N 34a_100000212039_100000210210 [0,2,0,0,0,0|2,0,0]=4 18800 B13R1.555 CCCCOCc1cccnc1Cl 34a_100000210227_100000045678 [0,2,0,0,0,0|2,0,0]=4 18801 B13R1.555 CCCCOCc1cccnc1Cl 34a_100000748726_100000210210 [0,2,0,0,0,0|2,0,0]=4 18802 B13R1.555 CCCCOCc1cccnc1Cl 7a_100000210227_100000045678 [0,2,0,0,0,0|2,0,0]=4 18803 B13R1.555 CCCCOCc1cccnc1Cl 7a_100000748726_100000210211 [0,2,0,0,0,0|2,0,0]=4 18804 B13R1.555 CCCCOCc1ccncc1Cl 7a_100000210227_100000763264 [0,2,0,0,0,0|2,0,0]=4 18805 B13R1.555 CCCCOCc1cnccc1Cl 34a_100000117392_100000210210 [0,2,0,0,0,0|2,0,0]=4 18806 B13R1.555 CCCCOCc1ncccc1Cl 34a_100012002383_100000210210 [0,2,0,0,0,0|2,0,0]=4 18807 B13R1.555 CCCCOCc1ncccc1Cl 7a_100000210227_100000099807 [0,2,0,0,0,0|2,0,0]=4 18808 B13R1.555 CCCCSCc1ccccc1Br 62a_100000184730_100000210210 [0,2,0,0,0,0|1,1,0]=4 18809 B13R1.555 CCCCSCc1ccccc1Br 62a_100000210211_100000184730 [0,2,0,0,0,0|1,1,0]=4 18810 B13R1.555 CCCCSCc1ccccc1C 62a_100000210211_100000211839 [0,2,0,0,0,0|2,0,0]=4 18811 B13R1.555 CCCCSCc1ccccc1C 62a_100000211839_100000210210 [0,2,0,0,0,0|2,0,0]=4 18812 B13R1.555 CCCCSCc1ccccc1Cl 62a_100000187162_100000210210 [0,2,0,0,0,0|1,0,0]=3 18813 B13R1.555 CCCCSCc1ccccc1Cl 62a_100000210211_100000187162 [0,2,0,0,0,0|1,0,0]=3 18814 B13R1.555 CCCCSCc1ccccc1F 62a_100000210211_100000211605 [0,2,0,0,0,0|1,1,0]=4 18815 B13R1.555 CCCCSCc1ccccc1F 62a_100000211605_100000210210 [0,2,0,0,0,0|1,1,0]=4 18816 B13R1.555 CCCCSCc1ccccc1I 62a_100000210211_100011216222 [0,2,0,0,0,0|1,1,0]=4 18817 B13R1.555 CCCCSCc1ccccc1I 62a_100011216222_100000210210 [0,2,0,0,0,0|1,1,0]=4 18818 B13R1.555 CCCCSCc1ccccc1O 271570a_203496583355_200011870348 [0,2,0,0,0,0|2,0,0]=4 18819 B13R1.555 CCCCSCc1cccnc1Cl 62a_100000045678_100000210210 [0,2,0,0,0,0|2,0,0]=4 18820 B13R1.555 CCCCSCc1cccnc1Cl 62a_100000210211_100000045678 [0,2,0,0,0,0|2,0,0]=4 18821 B13R1.555 CCCCSCc1ccncc1Cl 62a_100000210211_100000763264 [0,2,0,0,0,0|2,0,0]=4 18822 B13R1.555 CCCCSCc1ccncc1Cl 62a_100000763264_100000210210 [0,2,0,0,0,0|2,0,0]=4 18823 B13R1.555 CCCCSCc1ncccc1Cl 62a_100000099807_100000210210 [0,2,0,0,0,0|2,0,0]=4 18824 B13R1.555 CCCCSCc1ncccc1Cl 62a_100000210211_100000099807 [0,2,0,0,0,0|2,0,0]=4 18825 B13R1.555 CCCNCCc1ccccc1Br 2230a_100000747383_100000210303 [0,2,0,0,0,0|0,1,0]=3 18826 B13R1.555 CCCNCCc1ccccc1Br 34a_100000747383_100000210303 [0,2,0,0,0,0|0,1,0]=3 18827 B13R1.555 CCCNCCc1ccccc1C 2230a_100000685071_100000210303 [0,2,0,0,0,0|1,0,0]=3 18828 B13R1.555 CCCNCCc1ccccc1C 34a_100000685071_100000210303 [0,2,0,0,0,0|1,0,0]=3 18829 B13R1.555 CCCNCCc1ccccc1Cl 2230a_100011207228_100000210303 [0,2,0,0,0,0|0,0,0]=2 18830 B13R1.555 CCCNCCc1ccccc1Cl 270004a_100020643023_200011713468 [0,2,0,0,0,0|0,0,0]=2 18831 B13R1.555 CCCNCCc1ccccc1Cl 34a_100011207228_100000210303 [0,2,0,0,0,0|0,0,0]=2 18832 B13R1.555 CCCNCCc1ccccc1F 2230a_100000185272_100000210303 [0,2,0,0,0,0|0,1,0]=3 18833 B13R1.555 CCCNCCc1ccccc1F 34a_100000185272_100000210303 [0,2,0,0,0,0|0,1,0]=3 18834 B13R1.555 CCCNCCc1ccccc1O 34a_100011207237_100000210303 [0,2,0,0,0,0|1,0,0]=3 18835 B13R1.555 CCCNCCn1ccccc1=O 2230a_100000687133_100000210303 [0,2,0,0,0,0|2,0,0]=4 18836 B13R1.555 CCCNN=Cc1ccccc1Cl 4a_100000740057_100000210073 [0,2,0,0,0,0|1,0,1]=4 18837 B13R1.555 CCCOCCc1ccccc1Br 34a_100000210258_100012161201 [0,2,0,0,0,0|1,1,0]=4 18838 B13R1.555 CCCOCCc1ccccc1Br 34a_100000731337_100000210303 [0,2,0,0,0,0|1,1,0]=4 18839 B13R1.555 CCCOCCc1ccccc1Br 7a_100000731337_100000210303 [0,2,0,0,0,0|1,1,0]=4 18840 B13R1.555 CCCOCCc1ccccc1C 34a_100000210258_100011713688 [0,2,0,0,0,0|2,0,0]=4 18841 B13R1.555 CCCOCCc1ccccc1C 34a_100011220023_100000210303 [0,2,0,0,0,0|2,0,0]=4 18842 B13R1.555 CCCOCCc1ccccc1C 7a_100011220023_100000210303 [0,2,0,0,0,0|2,0,0]=4 18843 B13R1.555 CCCOCCc1ccccc1Cl 34a_100000210258_100011713703 [0,2,0,0,0,0|1,0,0]=3 18844 B13R1.555 CCCOCCc1ccccc1Cl 34a_100011215284_100000210303 [0,2,0,0,0,0|1,0,0]=3 18845 B13R1.555 CCCOCCc1ccccc1Cl 7a_100011215284_100000210303 [0,2,0,0,0,0|1,0,0]=3 18846 B13R1.555 CCCOCCc1ccccc1F 34a_100000210258_100000720011 [0,2,0,0,0,0|1,1,0]=4 18847 B13R1.555 CCCOCCc1ccccc1F 34a_100000753711_100000210303 [0,2,0,0,0,0|1,1,0]=4 18848 B13R1.555 CCCOCCc1ccccc1F 7a_100000753711_100000210303 [0,2,0,0,0,0|1,1,0]=4 18849 B13R1.555 CCCOCCc1ccccc1I 34a_100010255290_100000210303 [0,2,0,0,0,0|1,1,0]=4 18850 B13R1.555 CCCOCCc1ccccc1I 7a_100010255290_100000210303 [0,2,0,0,0,0|1,1,0]=4 18851 B13R1.555 CCCOCCc1ccccc1N 34a_100011215289_100000210303 [0,2,0,0,0,0|2,0,0]=4 18852 B13R1.555 CCCOCCc1ccccc1O 34a_100000210258_100000722297 [0,2,0,0,0,0|2,0,0]=4 18853 B13R1.555 CCCSCCc1ccccc1Br 62a_100000210303_100012161201 [0,2,0,0,0,0|1,1,0]=4 18854 B13R1.555 CCCSCCc1ccccc1Br 62a_100012161201_100000210303 [0,2,0,0,0,0|1,1,0]=4 18855 B13R1.555 CCCSCCc1ccccc1C 62a_100000210303_100011713688 [0,2,0,0,0,0|2,0,0]=4 18856 B13R1.555 CCCSCCc1ccccc1C 62a_100011713688_100000210303 [0,2,0,0,0,0|2,0,0]=4 18857 B13R1.555 CCCSCCc1ccccc1Cl 62a_100000210303_100011713703 [0,2,0,0,0,0|1,0,0]=3 18858 B13R1.555 CCCSCCc1ccccc1Cl 62a_100011713703_100000210303 [0,2,0,0,0,0|1,0,0]=3 18859 B13R1.555 CCCSCCc1ccccc1F 62a_100000210303_100011713696 [0,2,0,0,0,0|1,1,0]=4 18860 B13R1.555 CCCSCCc1ccccc1F 62a_100011713696_100000210303 [0,2,0,0,0,0|1,1,0]=4 18861 B13R1.555 CCCSCCc1ccccc1O 62a_100000210303_100000722297 [0,2,0,0,0,0|2,0,0]=4 18862 B13R1.555 CCCSCCc1ccccc1O 62a_100000722297_100000210303 [0,2,0,0,0,0|2,0,0]=4 18863 B13R1.555 CCNCC#Cc1ccccc1Br 2230a_100015525214_100010706765 [0,2,0,0,0,0|0,1,1]=4 18864 B13R1.555 CCNCC#Cc1ccccc1F 2230a_100015525214_100010404167 [0,2,0,0,0,0|0,1,1]=4 18865 B13R1.555 CCNCC=Cc1ccccc1Br 270004a_100015525214_200016268969 [0,2,0,0,0,0|0,1,1]=4 18866 B13R1.555 CCNCC=Cc1ccccc1Cl 270004a_100015525214_200102525841 [0,2,0,0,0,0|0,0,1]=3 18867 B13R1.555 CCNCC=Cc1ccccc1F 270004a_100015525214_200102525844 [0,2,0,0,0,0|0,1,1]=4 18868 B13R1.555 CCNCCCc1ccccc1Br 2230a_100015525214_200011713681 [0,2,0,0,0,0|0,1,0]=3 18869 B13R1.555 CCNCCCc1ccccc1F 2230a_100000724733_100000210202 [0,2,0,0,0,0|0,1,0]=3 18870 B13R1.555 CCNCCCc1ccccc1F 34a_100000724733_100000210202 [0,2,0,0,0,0|0,1,0]=3 18871 B13R1.555 CCNCCOc1ccccc1Br 2230a_100000744007_100000210202 [0,2,0,0,0,0|0,1,0]=3 18872 B13R1.555 CCNCCOc1ccccc1Br 2230a_100015525214_100000695877 [0,2,0,0,0,0|0,1,0]=3 18873 B13R1.555 CCNCCOc1ccccc1Br 34a_100000744007_100000210202 [0,2,0,0,0,0|0,1,0]=3 18874 B13R1.555 CCNCCOc1ccccc1C 2230a_100000743344_100000210202 [0,2,0,0,0,0|1,0,0]=3 18875 B13R1.555 CCNCCOc1ccccc1C 2230a_100015525214_100000184434 [0,2,0,0,0,0|1,0,0]=3 18876 B13R1.555 CCNCCOc1ccccc1C 34a_100000743344_100000210202 [0,2,0,0,0,0|1,0,0]=3 18877 B13R1.555 CCNCCOc1ccccc1Cl 2230a_100000174932_100000210202 [0,2,0,0,0,0|0,0,0]=2 18878 B13R1.555 CCNCCOc1ccccc1Cl 34a_100000174932_100000210202 [0,2,0,0,0,0|0,0,0]=2 18879 B13R1.555 CCNCCOc1ccccc1F 2230a_100000683764_100000210202 [0,2,0,0,0,0|0,1,0]=3 18880 B13R1.555 CCNCCOc1ccccc1F 2230a_100015525214_100000183290 [0,2,0,0,0,0|0,1,0]=3 18881 B13R1.555 CCNCCOc1ccccc1F 34a_100000683764_100000210202 [0,2,0,0,0,0|0,1,0]=3 18882 B13R1.555 CCNN=CCc1ccccc1Cl 4a_100000756455_200011713468 [0,2,0,0,0,0|0,0,1]=3 18883 B13R1.555 CCNN=CCc1ccccc1F 4a_100000756455_200000687578 [0,2,0,0,0,0|0,1,1]=4 18884 B13R1.555 CCOCC#Cc1ccccc1Cl 34a_100011219350_100000210202 [0,2,0,0,0,0|1,0,1]=4 18885 B13R1.555 CCOCC#Cc1ccccc1Cl 7a_100011219350_100000210202 [0,2,0,0,0,0|1,0,1]=4 18886 B13R1.555 CCOCCCc1ccccc1Br 34a_100000699526_100000210202 [0,2,0,0,0,0|1,1,0]=4 18887 B13R1.555 CCOCCCc1ccccc1Br 34a_100121572206_200011713681 [0,2,0,0,0,0|1,1,0]=4 18888 B13R1.555 CCOCCCc1ccccc1Br 7a_100000699526_100000210202 [0,2,0,0,0,0|1,1,0]=4 18889 B13R1.555 CCOCCCc1ccccc1Cl 34a_100011709251_100000210202 [0,2,0,0,0,0|1,0,0]=3 18890 B13R1.555 CCOCCCc1ccccc1Cl 7a_100011709251_100000210202 [0,2,0,0,0,0|1,0,0]=3 18891 B13R1.555 CCOCCCc1ccccc1F 34a_100011709249_100000210202 [0,2,0,0,0,0|1,1,0]=4 18892 B13R1.555 CCOCCCc1ccccc1F 7a_100011709249_100000210202 [0,2,0,0,0,0|1,1,0]=4 18893 B13R1.555 CCOCCNc1ccccc1Br 34a_100000210017_100000210147 [0,2,0,0,0,0|1,1,0]=4 18894 B13R1.555 CCOCCNc1ccccc1C 34a_100011233185_100000210202 [0,2,0,0,0,0|2,0,0]=4 18895 B13R1.555 CCOCCNc1ccccc1C 34a_100015192222_100000210147 [0,2,0,0,0,0|2,0,0]=4 18896 B13R1.555 CCOCCNc1ccccc1Cl 34a_100000185783_100000210147 [0,2,0,0,0,0|1,0,0]=3 18897 B13R1.555 CCOCCNc1ccccc1F 34a_100000210422_100000210147 [0,2,0,0,0,0|1,1,0]=4 18898 B13R1.555 CCOCCNc1ccccc1I 34a_100000210053_100000210147 [0,2,0,0,0,0|1,1,0]=4 18899 B13R1.555 CCOCCNc1ccccc1N 34a_100000683943_100000210202 [0,2,0,0,0,0|2,0,0]=4 18900 B13R1.555 CCOCCNc1ccccc1O 34a_100000185747_100000210147 [0,2,0,0,0,0|2,0,0]=4 18901 B13R1.555 CCOCCOc1ccccc1Br 34a_100000181306_100000210147 [0,2,0,0,0,0|1,1,0]=4 18902 B13R1.555 CCOCCOc1ccccc1Br 34a_100000230753_100000210202 [0,2,0,0,0,0|1,1,0]=4 18903 B13R1.555 CCOCCOc1ccccc1Br 34a_100121572206_100000695877 [0,2,0,0,0,0|1,1,0]=4 18904 B13R1.555 CCOCCOc1ccccc1Br 7a_100000181306_100011215890 [0,2,0,0,0,0|1,1,0]=4 18905 B13R1.555 CCOCCOc1ccccc1Br 7a_100000230753_100000210202 [0,2,0,0,0,0|1,1,0]=4 18906 B13R1.555 CCOCCOc1ccccc1C 34a_100000210338_100000210147 [0,2,0,0,0,0|2,0,0]=4 18907 B13R1.555 CCOCCOc1ccccc1C 34a_100121572206_100000184434 [0,2,0,0,0,0|2,0,0]=4 18908 B13R1.555 CCOCCOc1ccccc1C 7a_100000210338_100011215890 [0,2,0,0,0,0|2,0,0]=4 18909 B13R1.555 CCOCCOc1ccccc1Cl 34a_100000210172_100000210147 [0,2,0,0,0,0|1,0,0]=3 18910 B13R1.555 CCOCCOc1ccccc1Cl 34a_200000230518_100000210202 [0,2,0,0,0,0|1,0,0]=3 18911 B13R1.555 CCOCCOc1ccccc1Cl 7a_100000210172_100011215890 [0,2,0,0,0,0|1,0,0]=3 18912 B13R1.555 CCOCCOc1ccccc1Cl 7a_200000230518_100000210202 [0,2,0,0,0,0|1,0,0]=3 18913 B13R1.555 CCOCCOc1ccccc1F 34a_100000210171_100000210147 [0,2,0,0,0,0|1,1,0]=4 18914 B13R1.555 CCOCCOc1ccccc1F 34a_100000756447_100000210202 [0,2,0,0,0,0|1,1,0]=4 18915 B13R1.555 CCOCCOc1ccccc1F 34a_100121572206_100000183290 [0,2,0,0,0,0|1,1,0]=4 18916 B13R1.555 CCOCCOc1ccccc1F 7a_100000210171_100011215890 [0,2,0,0,0,0|1,1,0]=4 18917 B13R1.555 CCOCCOc1ccccc1F 7a_100000756447_100000210202 [0,2,0,0,0,0|1,1,0]=4 18918 B13R1.555 CCOCCOc1ccccc1I 34a_100000739446_100000210147 [0,2,0,0,0,0|1,1,0]=4 18919 B13R1.555 CCOCCOc1ccccc1I 7a_100000739446_100011215890 [0,2,0,0,0,0|1,1,0]=4 18920 B13R1.555 CCOCCOc1ccccc1N 34a_100000185747_100000210147 [0,2,0,0,0,0|2,0,0]=4 18921 B13R1.555 CCOCCOc1ccccc1N 34a_100132302172_100000210202 [0,2,0,0,0,0|2,0,0]=4 18922 B13R1.555 CCOCCOc1ccccc1N 7a_100000185747_100011215890 [0,2,0,0,0,0|2,0,0]=4 18923 B13R1.555 CCOCCOc1cccnc1Cl 34a_100000757616_100000210147 [0,2,0,0,0,0|2,0,0]=4 18924 B13R1.555 CCOCCOc1cccnc1Cl 7a_100000757616_100011215890 [0,2,0,0,0,0|2,0,0]=4 18925 B13R1.555 CCOCCOc1ccncc1Cl 34a_100011997054_100000210147 [0,2,0,0,0,0|2,0,0]=4 18926 B13R1.555 CCOCCOc1cnccc1Cl 34a_100011996695_100000210147 [0,2,0,0,0,0|2,0,0]=4 18927 B13R1.555 CCOCCOc1ncccc1Cl 34a_100011290957_100000210147 [0,2,0,0,0,0|2,0,0]=4 18928 B13R1.555 CCOCCSc1ccccc1Br 34a_200000230852_100000210202 [0,2,0,0,0,0|1,1,0]=4 18929 B13R1.555 CCOCCSc1ccccc1Br 62a_100000210147_100000695589 [0,2,0,0,0,0|1,1,0]=4 18930 B13R1.555 CCOCCSc1ccccc1Br 62a_100000695589_100011215890 [0,2,0,0,0,0|1,1,0]=4 18931 B13R1.555 CCOCCSc1ccccc1Br 7a_200000230852_100000210202 [0,2,0,0,0,0|1,1,0]=4 18932 B13R1.555 CCOCCSc1ccccc1C 62a_100000210147_100000210755 [0,2,0,0,0,0|2,0,0]=4 18933 B13R1.555 CCOCCSc1ccccc1C 62a_100000210755_100011215890 [0,2,0,0,0,0|2,0,0]=4 18934 B13R1.555 CCOCCSc1ccccc1Cl 34a_200000230572_100000210202 [0,2,0,0,0,0|1,0,0]=3 18935 B13R1.555 CCOCCSc1ccccc1Cl 62a_100000210147_100000764095 [0,2,0,0,0,0|1,0,0]=3 18936 B13R1.555 CCOCCSc1ccccc1Cl 62a_100000764095_100011215890 [0,2,0,0,0,0|1,0,0]=3 18937 B13R1.555 CCOCCSc1ccccc1Cl 7a_200000230572_100000210202 [0,2,0,0,0,0|1,0,0]=3 18938 B13R1.555 CCOCCSc1ccccc1F 34a_200000230732_100000210202 [0,2,0,0,0,0|1,1,0]=4 18939 B13R1.555 CCOCCSc1ccccc1F 62a_100000210147_100011215700 [0,2,0,0,0,0|1,1,0]=4 18940 B13R1.555 CCOCCSc1ccccc1F 62a_100011215700_100011215890 [0,2,0,0,0,0|1,1,0]=4 18941 B13R1.555 CCOCCSc1ccccc1F 7a_200000230732_100000210202 [0,2,0,0,0,0|1,1,0]=4 18942 B13R1.555 CCOCCSc1ccccc1N 62a_100000210017_100011215890 [0,2,0,0,0,0|2,0,0]=4 18943 B13R1.555 CCOCCSc1ccccc1N 62a_100000210147_100000210017 [0,2,0,0,0,0|2,0,0]=4 18944 B13R1.555 CCOCCSc1ccccc1O 62a_100000210147_100000739446 [0,2,0,0,0,0|2,0,0]=4 18945 B13R1.555 CCOCCSc1ccccc1O 62a_100000739446_100011215890 [0,2,0,0,0,0|2,0,0]=4 18946 B13R1.555 CCOCCSc1cccnc1Cl 62a_100000036424_100011215890 [0,2,0,0,0,0|2,0,0]=4 18947 B13R1.555 CCOCCSc1cccnc1Cl 62a_100000210147_100000036424 [0,2,0,0,0,0|2,0,0]=4 18948 B13R1.555 CCOCCSc1ccncc1Cl 62a_100000210147_100000708259 [0,2,0,0,0,0|2,0,0]=4 18949 B13R1.555 CCOCCSc1ccncc1Cl 62a_100000708259_100011215890 [0,2,0,0,0,0|2,0,0]=4 18950 B13R1.555 CCOCCSc1cnccc1Cl 62a_100000210147_100009995489 [0,2,0,0,0,0|2,0,0]=4 18951 B13R1.555 CCOCCSc1cnccc1Cl 62a_100009995489_100011215890 [0,2,0,0,0,0|2,0,0]=4 18952 B13R1.555 CCOCCSc1ncccc1Cl 62a_100000210147_100011356963 [0,2,0,0,0,0|2,0,0]=4 18953 B13R1.555 CCOCCSc1ncccc1Cl 62a_100011356963_100011215890 [0,2,0,0,0,0|2,0,0]=4 18954 B13R1.555 CCOCSCc1ccccc1Br 62a_100000184730_100000739092 [0,2,0,0,0,0|1,1,0]=4 18955 B13R1.555 CCOCSCc1ccccc1Br 62a_100000739092_100000184730 [0,2,0,0,0,0|1,1,0]=4 18956 B13R1.555 CCOCSCc1ccccc1C 62a_100000211839_100000739092 [0,2,0,0,0,0|2,0,0]=4 18957 B13R1.555 CCOCSCc1ccccc1C 62a_100000739092_100000211839 [0,2,0,0,0,0|2,0,0]=4 18958 B13R1.555 CCOCSCc1ccccc1Cl 62a_100000187162_100000739092 [0,2,0,0,0,0|1,0,0]=3 18959 B13R1.555 CCOCSCc1ccccc1Cl 62a_100000739092_100000187162 [0,2,0,0,0,0|1,0,0]=3 18960 B13R1.555 CCOCSCc1ccccc1F 62a_100000211605_100000739092 [0,2,0,0,0,0|1,1,0]=4 18961 B13R1.555 CCOCSCc1ccccc1F 62a_100000739092_100000211605 [0,2,0,0,0,0|1,1,0]=4 18962 B13R1.555 CCOCSCc1ccccc1I 62a_100000739092_100011216222 [0,2,0,0,0,0|1,1,0]=4 18963 B13R1.555 CCOCSCc1ccccc1I 62a_100011216222_100000739092 [0,2,0,0,0,0|1,1,0]=4 18964 B13R1.555 CCOCSCc1cccnc1Cl 62a_100000045678_100000739092 [0,2,0,0,0,0|2,0,0]=4 18965 B13R1.555 CCOCSCc1cccnc1Cl 62a_100000739092_100000045678 [0,2,0,0,0,0|2,0,0]=4 18966 B13R1.555 CCOCSCc1ccncc1Cl 62a_100000739092_100000763264 [0,2,0,0,0,0|2,0,0]=4 18967 B13R1.555 CCOCSCc1ccncc1Cl 62a_100000763264_100000739092 [0,2,0,0,0,0|2,0,0]=4 18968 B13R1.555 CCOCSCc1ncccc1Cl 62a_100000099807_100000739092 [0,2,0,0,0,0|2,0,0]=4 18969 B13R1.555 CCOCSCc1ncccc1Cl 62a_100000739092_100000099807 [0,2,0,0,0,0|2,0,0]=4 18970 B13R1.555 CCSCCCc1ccccc1Br 62a_100000210202_200011713681 [0,2,0,0,0,0|1,1,0]=4 18971 B13R1.555 CCSCCCc1ccccc1Br 62a_200011713681_100000210202 [0,2,0,0,0,0|1,1,0]=4 18972 B13R1.555 CCSCCNc1ccccc1Br 34a_100000210017_100000757381 [0,2,0,0,0,0|1,1,0]=4 18973 B13R1.555 CCSCCNc1ccccc1C 34a_100015192222_100000757381 [0,2,0,0,0,0|2,0,0]=4 18974 B13R1.555 CCSCCNc1ccccc1Cl 34a_100000185783_100000757381 [0,2,0,0,0,0|1,0,0]=3 18975 B13R1.555 CCSCCNc1ccccc1F 34a_100000210422_100000757381 [0,2,0,0,0,0|1,1,0]=4 18976 B13R1.555 CCSCCNc1ccccc1I 34a_100000210053_100000757381 [0,2,0,0,0,0|1,1,0]=4 18977 B13R1.555 CCSCCNc1ccccc1O 34a_100000185747_100000757381 [0,2,0,0,0,0|2,0,0]=4 18978 B13R1.555 CCSCCOc1ccccc1Br 34a_100000181306_100000757381 [0,2,0,0,0,0|1,1,0]=4 18979 B13R1.555 CCSCCOc1ccccc1Br 62a_100000210202_100000695877 [0,2,0,0,0,0|1,1,0]=4 18980 B13R1.555 CCSCCOc1ccccc1Br 62a_100000695877_100000210202 [0,2,0,0,0,0|1,1,0]=4 18981 B13R1.555 CCSCCOc1ccccc1Br 7a_100000181306_100000757381 [0,2,0,0,0,0|1,1,0]=4 18982 B13R1.555 CCSCCOc1ccccc1C 34a_100000210338_100000757381 [0,2,0,0,0,0|2,0,0]=4 18983 B13R1.555 CCSCCOc1ccccc1C 62a_100000184434_100000210202 [0,2,0,0,0,0|2,0,0]=4 18984 B13R1.555 CCSCCOc1ccccc1C 62a_100000210202_100000184434 [0,2,0,0,0,0|2,0,0]=4 18985 B13R1.555 CCSCCOc1ccccc1C 7a_100000210338_100000757381 [0,2,0,0,0,0|2,0,0]=4 18986 B13R1.555 CCSCCOc1ccccc1Cl 34a_100000210172_100000757381 [0,2,0,0,0,0|1,0,0]=3 18987 B13R1.555 CCSCCOc1ccccc1Cl 7a_100000210172_100000757381 [0,2,0,0,0,0|1,0,0]=3 18988 B13R1.555 CCSCCOc1ccccc1F 34a_100000210171_100000757381 [0,2,0,0,0,0|1,1,0]=4 18989 B13R1.555 CCSCCOc1ccccc1F 62a_100000183290_100000210202 [0,2,0,0,0,0|1,1,0]=4 18990 B13R1.555 CCSCCOc1ccccc1F 62a_100000210202_100000183290 [0,2,0,0,0,0|1,1,0]=4 18991 B13R1.555 CCSCCOc1ccccc1F 7a_100000210171_100000757381 [0,2,0,0,0,0|1,1,0]=4 18992 B13R1.555 CCSCCOc1ccccc1I 34a_100000739446_100000757381 [0,2,0,0,0,0|1,1,0]=4 18993 B13R1.555 CCSCCOc1ccccc1I 7a_100000739446_100000757381 [0,2,0,0,0,0|1,1,0]=4 18994 B13R1.555 CCSCCOc1ccccc1N 34a_100000185747_100000757381 [0,2,0,0,0,0|2,0,0]=4 18995 B13R1.555 CCSCCOc1ccccc1N 7a_100000185747_100000757381 [0,2,0,0,0,0|2,0,0]=4 18996 B13R1.555 CCSCCOc1cccnc1Cl 34a_100000757616_100000757381 [0,2,0,0,0,0|2,0,0]=4 18997 B13R1.555 CCSCCOc1cccnc1Cl 7a_100000757616_100000757381 [0,2,0,0,0,0|2,0,0]=4 18998 B13R1.555 CCSCCOc1ccncc1Cl 34a_100011997054_100000757381 [0,2,0,0,0,0|2,0,0]=4 18999 B13R1.555 CCSCCOc1cnccc1Cl 34a_100011996695_100000757381 [0,2,0,0,0,0|2,0,0]=4 19000 B13R1.555 CCSCCOc1ncccc1Cl 34a_100011290957_100000757381 [0,2,0,0,0,0|2,0,0]=4 19001 B13R1.555 CCSCCSc1ccccc1Br 62a_100000695589_100000757381 [0,2,0,0,0,0|1,1,0]=4 19002 B13R1.555 CCSCCSc1ccccc1Br 62a_100000757381_100000695589 [0,2,0,0,0,0|1,1,0]=4 19003 B13R1.555 CCSCCSc1ccccc1C 62a_100000210755_100000757381 [0,2,0,0,0,0|2,0,0]=4 19004 B13R1.555 CCSCCSc1ccccc1C 62a_100000757381_100000210755 [0,2,0,0,0,0|2,0,0]=4 19005 B13R1.555 CCSCCSc1ccccc1Cl 62a_100000757381_100000764095 [0,2,0,0,0,0|1,0,0]=3 19006 B13R1.555 CCSCCSc1ccccc1Cl 62a_100000764095_100000757381 [0,2,0,0,0,0|1,0,0]=3 19007 B13R1.555 CCSCCSc1ccccc1F 62a_100000757381_100011215700 [0,2,0,0,0,0|1,1,0]=4 19008 B13R1.555 CCSCCSc1ccccc1F 62a_100011215700_100000757381 [0,2,0,0,0,0|1,1,0]=4 19009 B13R1.555 CCSCCSc1ccccc1N 62a_100000210017_100000757381 [0,2,0,0,0,0|2,0,0]=4 19010 B13R1.555 CCSCCSc1ccccc1N 62a_100000757381_100000210017 [0,2,0,0,0,0|2,0,0]=4 19011 B13R1.555 CCSCCSc1ccccc1O 62a_100000739446_100000757381 [0,2,0,0,0,0|2,0,0]=4 19012 B13R1.555 CCSCCSc1ccccc1O 62a_100000757381_100000739446 [0,2,0,0,0,0|2,0,0]=4 19013 B13R1.555 CCSCCSc1cccnc1Cl 62a_100000036424_100000757381 [0,2,0,0,0,0|2,0,0]=4 19014 B13R1.555 CCSCCSc1cccnc1Cl 62a_100000757381_100000036424 [0,2,0,0,0,0|2,0,0]=4 19015 B13R1.555 CCSCCSc1ccncc1Cl 62a_100000708259_100000757381 [0,2,0,0,0,0|2,0,0]=4 19016 B13R1.555 CCSCCSc1ccncc1Cl 62a_100000757381_100000708259 [0,2,0,0,0,0|2,0,0]=4 19017 B13R1.555 CCSCCSc1cnccc1Cl 62a_100000757381_100009995489 [0,2,0,0,0,0|2,0,0]=4 19018 B13R1.555 CCSCCSc1cnccc1Cl 62a_100009995489_100000757381 [0,2,0,0,0,0|2,0,0]=4 19019 B13R1.555 CCSCCSc1ncccc1Cl 62a_100000757381_100011356963 [0,2,0,0,0,0|2,0,0]=4 19020 B13R1.555 CCSCCSc1ncccc1Cl 62a_100011356963_100000757381 [0,2,0,0,0,0|2,0,0]=4 19021 B13R1.555 CNCCCOc1ccccc1Br 2230a_106832991635_200011259276 [0,2,0,0,0,0|0,1,0]=3 19022 B13R1.555 CNCCCOc1ccccc1Br 34a_100102657272_200011259276 [0,2,0,0,0,0|0,1,0]=3 19023 B13R1.555 CNCCCOc1ccccc1Br 7a_106832991635_200011259276 [0,2,0,0,0,0|0,1,0]=3 19024 B13R1.555 CNCCCOc1ccccc1C 2230a_106633784460_200000210301 [0,2,0,0,0,0|1,0,0]=3 19025 B13R1.555 CNCCCOc1ccccc1C 2230a_106832991635_100000742659 [0,2,0,0,0,0|1,0,0]=3 19026 B13R1.555 CNCCCOc1ccccc1C 34a_100102657272_100000742659 [0,2,0,0,0,0|1,0,0]=3 19027 B13R1.555 CNCCCOc1ccccc1C 34a_106633784460_200000210301 [0,2,0,0,0,0|1,0,0]=3 19028 B13R1.555 CNCCCOc1ccccc1C 7a_106832991635_100000742659 [0,2,0,0,0,0|1,0,0]=3 19029 B13R1.555 CNCCCOc1ccccc1F 2230a_100000707858_200000210301 [0,2,0,0,0,0|0,1,0]=3 19030 B13R1.555 CNCCCOc1ccccc1F 2230a_106832991635_100011203253 [0,2,0,0,0,0|0,1,0]=3 19031 B13R1.555 CNCCCOc1ccccc1F 34a_100000707858_200000210301 [0,2,0,0,0,0|0,1,0]=3 19032 B13R1.555 CNCCCOc1ccccc1F 34a_100102657272_100011203253 [0,2,0,0,0,0|0,1,0]=3 19033 B13R1.555 CNCCCOc1ccccc1F 7a_106832991635_100011203253 [0,2,0,0,0,0|0,1,0]=3 19034 B13R1.555 CNCCCOc1ccccc1O 271570a_203496583355_100015186278 [0,2,0,0,0,0|1,0,0]=3 19035 B13R1.555 CNCCCSc1ccccc1Cl 2230a_106832991635_100000750589 [0,2,0,0,0,0|0,0,0]=2 19036 B13R1.555 CNCCCSc1ccccc1Cl 34a_100102657272_100000750589 [0,2,0,0,0,0|0,0,0]=2 19037 B13R1.555 CNCCCSc1ccccc1Cl 7a_106832991635_100000750589 [0,2,0,0,0,0|0,0,0]=2 19038 B13R1.555 CNCCOCc1ccccc1Cl 2230a_100000745786_200000210301 [0,2,0,0,0,0|0,0,0]=2 19039 B13R1.555 CNCCOCc1ccccc1Cl 34a_100000745786_200000210301 [0,2,0,0,0,0|0,0,0]=2 19040 B13R1.555 CNCCSCc1ccccc1C 2230a_200000189569_200000210301 [0,2,0,0,0,0|1,0,0]=3 19041 B13R1.555 CNCCSCc1ccccc1C 34a_200000189569_200000210301 [0,2,0,0,0,0|1,0,0]=3 19042 B13R1.555 CNCCSCc1ccccc1C 7a_200000189569_200000210301 [0,2,0,0,0,0|1,0,0]=3 19043 B13R1.555 CNCCSCc1ccccc1Cl 2230a_100011219180_200000210301 [0,2,0,0,0,0|0,0,0]=2 19044 B13R1.555 CNCCSCc1ccccc1Cl 34a_100011219180_200000210301 [0,2,0,0,0,0|0,0,0]=2 19045 B13R1.555 CNCCSCc1ccccc1Cl 7a_100011219180_200000210301 [0,2,0,0,0,0|0,0,0]=2 19046 B13R1.555 COCCCCc1ccccc1Br 34a_100012092669_200000210301 [0,2,0,0,0,0|1,1,0]=4 19047 B13R1.555 COCCCCc1ccccc1Br 7a_100012092669_200000210301 [0,2,0,0,0,0|1,1,0]=4 19048 B13R1.555 COCCCNc1ccccc1Br 34a_100000210017_100000740836 [0,2,0,0,0,0|1,1,0]=4 19049 B13R1.555 COCCCNc1ccccc1C 34a_100015192222_100000740836 [0,2,0,0,0,0|2,0,0]=4 19050 B13R1.555 COCCCNc1ccccc1Cl 34a_100000185783_100000740836 [0,2,0,0,0,0|1,0,0]=3 19051 B13R1.555 COCCCNc1ccccc1F 34a_100000210422_100000740836 [0,2,0,0,0,0|1,1,0]=4 19052 B13R1.555 COCCCNc1ccccc1I 34a_100000210053_100000740836 [0,2,0,0,0,0|1,1,0]=4 19053 B13R1.555 COCCCNc1ccccc1O 34a_100000185747_100000740836 [0,2,0,0,0,0|2,0,0]=4 19054 B13R1.555 COCCCOc1ccccc1Br 34a_100000181306_100000740836 [0,2,0,0,0,0|1,1,0]=4 19055 B13R1.555 COCCCOc1ccccc1Br 34a_100138415774_200011259276 [0,2,0,0,0,0|1,1,0]=4 19056 B13R1.555 COCCCOc1ccccc1Br 7a_100000181306_100000740836 [0,2,0,0,0,0|1,1,0]=4 19057 B13R1.555 COCCCOc1ccccc1C 34a_100000210338_100000740836 [0,2,0,0,0,0|2,0,0]=4 19058 B13R1.555 COCCCOc1ccccc1C 34a_100138415774_100000742659 [0,2,0,0,0,0|2,0,0]=4 19059 B13R1.555 COCCCOc1ccccc1C 7a_100000210338_100000740836 [0,2,0,0,0,0|2,0,0]=4 19060 B13R1.555 COCCCOc1ccccc1Cl 34a_100000210172_100000740836 [0,2,0,0,0,0|1,0,0]=3 19061 B13R1.555 COCCCOc1ccccc1Cl 34a_100000230521_200000210301 [0,2,0,0,0,0|1,0,0]=3 19062 B13R1.555 COCCCOc1ccccc1Cl 7a_100000210172_100000740836 [0,2,0,0,0,0|1,0,0]=3 19063 B13R1.555 COCCCOc1ccccc1Cl 7a_100000230521_200000210301 [0,2,0,0,0,0|1,0,0]=3 19064 B13R1.555 COCCCOc1ccccc1F 34a_100000210171_100000740836 [0,2,0,0,0,0|1,1,0]=4 19065 B13R1.555 COCCCOc1ccccc1F 34a_100138415774_100011203253 [0,2,0,0,0,0|1,1,0]=4 19066 B13R1.555 COCCCOc1ccccc1F 7a_100000210171_100000740836 [0,2,0,0,0,0|1,1,0]=4 19067 B13R1.555 COCCCOc1ccccc1I 34a_100000739446_100000740836 [0,2,0,0,0,0|1,1,0]=4 19068 B13R1.555 COCCCOc1ccccc1I 7a_100000739446_100000740836 [0,2,0,0,0,0|1,1,0]=4 19069 B13R1.555 COCCCOc1ccccc1N 34a_100000185747_100000740836 [0,2,0,0,0,0|2,0,0]=4 19070 B13R1.555 COCCCOc1ccccc1N 7a_100000185747_100000740836 [0,2,0,0,0,0|2,0,0]=4 19071 B13R1.555 COCCCOc1cccnc1Cl 34a_100000757616_100000740836 [0,2,0,0,0,0|2,0,0]=4 19072 B13R1.555 COCCCOc1cccnc1Cl 7a_100000757616_100000740836 [0,2,0,0,0,0|2,0,0]=4 19073 B13R1.555 COCCCOc1ccncc1Cl 34a_100011997054_100000740836 [0,2,0,0,0,0|2,0,0]=4 19074 B13R1.555 COCCCOc1cnccc1Cl 34a_100011996695_100000740836 [0,2,0,0,0,0|2,0,0]=4 19075 B13R1.555 COCCCOc1ncccc1Cl 34a_100011290957_100000740836 [0,2,0,0,0,0|2,0,0]=4 19076 B13R1.555 COCCCSc1ccccc1Br 62a_100000695589_100000709357 [0,2,0,0,0,0|1,1,0]=4 19077 B13R1.555 COCCCSc1ccccc1Br 62a_100000709357_100000695589 [0,2,0,0,0,0|1,1,0]=4 19078 B13R1.555 COCCCSc1ccccc1C 62a_100000210755_100000709357 [0,2,0,0,0,0|2,0,0]=4 19079 B13R1.555 COCCCSc1ccccc1C 62a_100000709357_100000210755 [0,2,0,0,0,0|2,0,0]=4 19080 B13R1.555 COCCCSc1ccccc1Cl 34a_100138415774_100000750589 [0,2,0,0,0,0|1,0,0]=3 19081 B13R1.555 COCCCSc1ccccc1Cl 62a_100000709357_100000764095 [0,2,0,0,0,0|1,0,0]=3 19082 B13R1.555 COCCCSc1ccccc1Cl 62a_100000764095_100000709357 [0,2,0,0,0,0|1,0,0]=3 19083 B13R1.555 COCCCSc1ccccc1F 62a_100000709357_100011215700 [0,2,0,0,0,0|1,1,0]=4 19084 B13R1.555 COCCCSc1ccccc1F 62a_100011215700_100000709357 [0,2,0,0,0,0|1,1,0]=4 19085 B13R1.555 COCCCSc1ccccc1N 62a_100000210017_100000709357 [0,2,0,0,0,0|2,0,0]=4 19086 B13R1.555 COCCCSc1ccccc1N 62a_100000709357_100000210017 [0,2,0,0,0,0|2,0,0]=4 19087 B13R1.555 COCCCSc1ccccc1O 62a_100000709357_100000739446 [0,2,0,0,0,0|2,0,0]=4 19088 B13R1.555 COCCCSc1ccccc1O 62a_100000739446_100000709357 [0,2,0,0,0,0|2,0,0]=4 19089 B13R1.555 COCCCSc1cccnc1Cl 62a_100000036424_100000709357 [0,2,0,0,0,0|2,0,0]=4 19090 B13R1.555 COCCCSc1cccnc1Cl 62a_100000709357_100000036424 [0,2,0,0,0,0|2,0,0]=4 19091 B13R1.555 COCCCSc1ccncc1Cl 62a_100000708259_100000709357 [0,2,0,0,0,0|2,0,0]=4 19092 B13R1.555 COCCCSc1ccncc1Cl 62a_100000709357_100000708259 [0,2,0,0,0,0|2,0,0]=4 19093 B13R1.555 COCCCSc1cnccc1Cl 62a_100000709357_100009995489 [0,2,0,0,0,0|2,0,0]=4 19094 B13R1.555 COCCCSc1cnccc1Cl 62a_100009995489_100000709357 [0,2,0,0,0,0|2,0,0]=4 19095 B13R1.555 COCCCSc1ncccc1Cl 62a_100000709357_100011356963 [0,2,0,0,0,0|2,0,0]=4 19096 B13R1.555 COCCCSc1ncccc1Cl 62a_100011356963_100000709357 [0,2,0,0,0,0|2,0,0]=4 19097 B13R1.555 COCCNCc1ccccc1Br 207a_100000209980_100000211189 [0,2,0,0,0,0|1,1,0]=4 19098 B13R1.555 COCCNCc1ccccc1Br 2230a_100000209980_100000184730 [0,2,0,0,0,0|1,1,0]=4 19099 B13R1.555 COCCNCc1ccccc1Br 2230a_100000689332_100011201679 [0,2,0,0,0,0|1,1,0]=4 19100 B13R1.555 COCCNCc1ccccc1Br 270004a_100000209980_100000211189 [0,2,0,0,0,0|1,1,0]=4 19101 B13R1.555 COCCNCc1ccccc1Br 34a_100000689332_100011201679 [0,2,0,0,0,0|1,1,0]=4 19102 B13R1.555 COCCNCc1ccccc1Br 34a_106744479749_200000210301 [0,2,0,0,0,0|1,1,0]=4 19103 B13R1.555 COCCNCc1ccccc1C 207a_100000209980_100000211143 [0,2,0,0,0,0|2,0,0]=4 19104 B13R1.555 COCCNCc1ccccc1C 2230a_100000209980_100000211839 [0,2,0,0,0,0|2,0,0]=4 19105 B13R1.555 COCCNCc1ccccc1C 270004a_100000209980_100000211143 [0,2,0,0,0,0|2,0,0]=4 19106 B13R1.555 COCCNCc1ccccc1C 34a_100000174972_100011201679 [0,2,0,0,0,0|2,0,0]=4 19107 B13R1.555 COCCNCc1ccccc1Cl 207a_100000209980_100000210073 [0,2,0,0,0,0|1,0,0]=3 19108 B13R1.555 COCCNCc1ccccc1Cl 2230a_100000174879_100011201679 [0,2,0,0,0,0|1,0,0]=3 19109 B13R1.555 COCCNCc1ccccc1Cl 2230a_100000209980_100000187162 [0,2,0,0,0,0|1,0,0]=3 19110 B13R1.555 COCCNCc1ccccc1Cl 270004a_100000209980_100000210073 [0,2,0,0,0,0|1,0,0]=3 19111 B13R1.555 COCCNCc1ccccc1Cl 34a_100000174879_100011201679 [0,2,0,0,0,0|1,0,0]=3 19112 B13R1.555 COCCNCc1ccccc1Cl 34a_100015187164_200000210301 [0,2,0,0,0,0|1,0,0]=3 19113 B13R1.555 COCCNCc1ccccc1F 207a_100000209980_100000210811 [0,2,0,0,0,0|1,1,0]=4 19114 B13R1.555 COCCNCc1ccccc1F 2230a_100000209980_100000211605 [0,2,0,0,0,0|1,1,0]=4 19115 B13R1.555 COCCNCc1ccccc1F 270004a_100000209980_100000210811 [0,2,0,0,0,0|1,1,0]=4 19116 B13R1.555 COCCNCc1ccccc1F 34a_100000174869_100011201679 [0,2,0,0,0,0|1,1,0]=4 19117 B13R1.555 COCCNCc1ccccc1I 207a_100000209980_100000010305 [0,2,0,0,0,0|1,1,0]=4 19118 B13R1.555 COCCNCc1ccccc1I 2230a_100000209980_100011215278 [0,2,0,0,0,0|1,1,0]=4 19119 B13R1.555 COCCNCc1ccccc1I 270004a_100000209980_100000010305 [0,2,0,0,0,0|1,1,0]=4 19120 B13R1.555 COCCNCc1ccccc1O 34a_100000185550_100011201679 [0,2,0,0,0,0|2,0,0]=4 19121 B13R1.555 COCCNCc1cccnc1Cl 2230a_100000209980_100000045678 [0,2,0,0,0,0|2,0,0]=4 19122 B13R1.555 COCCNCc1cccnc1Cl 2230a_100015189234_100011201679 [0,2,0,0,0,0|2,0,0]=4 19123 B13R1.555 COCCNCc1cccnc1Cl 34a_100015189234_100011201679 [0,2,0,0,0,0|2,0,0]=4 19124 B13R1.555 COCCNCc1ccncc1Cl 207a_100000209980_100011934409 [0,2,0,0,0,0|2,0,0]=4 19125 B13R1.555 COCCNCc1ccncc1Cl 2230a_100000209980_100000763264 [0,2,0,0,0,0|2,0,0]=4 19126 B13R1.555 COCCNCc1ccncc1Cl 270004a_100000209980_100011934409 [0,2,0,0,0,0|2,0,0]=4 19127 B13R1.555 COCCNCc1cnccc1Cl 270004a_100000209980_100000050567 [0,2,0,0,0,0|2,0,0]=4 19128 B13R1.555 COCCNCc1ncccc1Cl 207a_100000209980_100012001307 [0,2,0,0,0,0|2,0,0]=4 19129 B13R1.555 COCCNCc1ncccc1Cl 2230a_100000209980_100000099807 [0,2,0,0,0,0|2,0,0]=4 19130 B13R1.555 COCCNCc1ncccc1Cl 2230a_100015189233_100011201679 [0,2,0,0,0,0|2,0,0]=4 19131 B13R1.555 COCCNCc1ncccc1Cl 270004a_100000209980_100012001307 [0,2,0,0,0,0|2,0,0]=4 19132 B13R1.555 COCCOCc1ccccc1Br 34a_100000210237_100000184730 [0,2,0,0,0,0|1,1,0]=4 19133 B13R1.555 COCCOCc1ccccc1Br 34a_100000756307_100011201679 [0,2,0,0,0,0|1,1,0]=4 19134 B13R1.555 COCCOCc1ccccc1Br 7a_100000756307_100000233755 [0,2,0,0,0,0|1,1,0]=4 19135 B13R1.555 COCCOCc1ccccc1C 34a_100000210237_100000211839 [0,2,0,0,0,0|2,0,0]=4 19136 B13R1.555 COCCOCc1ccccc1C 34a_100000698903_100011201679 [0,2,0,0,0,0|2,0,0]=4 19137 B13R1.555 COCCOCc1ccccc1C 7a_100000698903_100000233755 [0,2,0,0,0,0|2,0,0]=4 19138 B13R1.555 COCCOCc1ccccc1Cl 34a_100000210237_100000187162 [0,2,0,0,0,0|1,0,0]=3 19139 B13R1.555 COCCOCc1ccccc1Cl 34a_100000210847_100011201679 [0,2,0,0,0,0|1,0,0]=3 19140 B13R1.555 COCCOCc1ccccc1Cl 7a_100000210847_100000233755 [0,2,0,0,0,0|1,0,0]=3 19141 B13R1.555 COCCOCc1ccccc1F 34a_100000210237_100000211605 [0,2,0,0,0,0|1,1,0]=4 19142 B13R1.555 COCCOCc1ccccc1F 34a_100000211962_100011201679 [0,2,0,0,0,0|1,1,0]=4 19143 B13R1.555 COCCOCc1ccccc1F 7a_100000211962_100000233755 [0,2,0,0,0,0|1,1,0]=4 19144 B13R1.555 COCCOCc1ccccc1I 34a_100000187465_100011201679 [0,2,0,0,0,0|1,1,0]=4 19145 B13R1.555 COCCOCc1ccccc1I 34a_100000210237_100011215278 [0,2,0,0,0,0|1,1,0]=4 19146 B13R1.555 COCCOCc1ccccc1I 7a_100000187465_100000233755 [0,2,0,0,0,0|1,1,0]=4 19147 B13R1.555 COCCOCc1ccccc1N 34a_100000212039_100011201679 [0,2,0,0,0,0|2,0,0]=4 19148 B13R1.555 COCCOCc1cccnc1Cl 34a_100000210237_100000045678 [0,2,0,0,0,0|2,0,0]=4 19149 B13R1.555 COCCOCc1cccnc1Cl 34a_100000748726_100011201679 [0,2,0,0,0,0|2,0,0]=4 19150 B13R1.555 COCCOCc1cccnc1Cl 7a_100000748726_100000233755 [0,2,0,0,0,0|2,0,0]=4 19151 B13R1.555 COCCOCc1cnccc1Cl 34a_100000117392_100011201679 [0,2,0,0,0,0|2,0,0]=4 19152 B13R1.555 COCCOCc1ncccc1Cl 34a_100012002383_100011201679 [0,2,0,0,0,0|2,0,0]=4 19153 B13R1.555 COCCSCc1ccccc1Br 62a_100000184730_100000233755 [0,2,0,0,0,0|1,1,0]=4 19154 B13R1.555 COCCSCc1ccccc1Br 62a_100000233755_100000184730 [0,2,0,0,0,0|1,1,0]=4 19155 B13R1.555 COCCSCc1ccccc1C 62a_100000211839_100000233755 [0,2,0,0,0,0|2,0,0]=4 19156 B13R1.555 COCCSCc1ccccc1C 62a_100000233755_100000211839 [0,2,0,0,0,0|2,0,0]=4 19157 B13R1.555 COCCSCc1ccccc1Cl 62a_100000187162_100000233755 [0,2,0,0,0,0|1,0,0]=3 19158 B13R1.555 COCCSCc1ccccc1Cl 62a_100000233755_100000187162 [0,2,0,0,0,0|1,0,0]=3 19159 B13R1.555 COCCSCc1ccccc1F 62a_100000211605_100000233755 [0,2,0,0,0,0|1,1,0]=4 19160 B13R1.555 COCCSCc1ccccc1F 62a_100000233755_100000211605 [0,2,0,0,0,0|1,1,0]=4 19161 B13R1.555 COCCSCc1ccccc1I 62a_100000233755_100011216222 [0,2,0,0,0,0|1,1,0]=4 19162 B13R1.555 COCCSCc1ccccc1I 62a_100011216222_100000233755 [0,2,0,0,0,0|1,1,0]=4 19163 B13R1.555 COCCSCc1cccnc1Cl 62a_100000045678_100000233755 [0,2,0,0,0,0|2,0,0]=4 19164 B13R1.555 COCCSCc1cccnc1Cl 62a_100000233755_100000045678 [0,2,0,0,0,0|2,0,0]=4 19165 B13R1.555 COCCSCc1ccncc1Cl 62a_100000233755_100000763264 [0,2,0,0,0,0|2,0,0]=4 19166 B13R1.555 COCCSCc1ccncc1Cl 62a_100000763264_100000233755 [0,2,0,0,0,0|2,0,0]=4 19167 B13R1.555 COCCSCc1ncccc1Cl 62a_100000099807_100000233755 [0,2,0,0,0,0|2,0,0]=4 19168 B13R1.555 COCCSCc1ncccc1Cl 62a_100000233755_100000099807 [0,2,0,0,0,0|2,0,0]=4 19169 B13R1.555 COCNCCc1ccccc1Br 2230a_100000747383_100000766300 [0,2,0,0,0,0|0,1,0]=3 19170 B13R1.555 COCNCCc1ccccc1C 2230a_100000685071_100000766300 [0,2,0,0,0,0|1,0,0]=3 19171 B13R1.555 COCNCCc1ccccc1Cl 2230a_100011207228_100000766300 [0,2,0,0,0,0|0,0,0]=2 19172 B13R1.555 COCNCCc1ccccc1F 2230a_100000185272_100000766300 [0,2,0,0,0,0|0,1,0]=3 19173 B13R1.555 COCNCCn1ccccc1=O 2230a_100000687133_100000766300 [0,2,0,0,0,0|2,0,0]=4 19174 B13R1.555 COCSCCc1ccccc1Br 62a_100000766300_100012161201 [0,2,0,0,0,0|1,1,0]=4 19175 B13R1.555 COCSCCc1ccccc1Br 62a_100012161201_100000766300 [0,2,0,0,0,0|1,1,0]=4 19176 B13R1.555 COCSCCc1ccccc1C 62a_100000766300_100011713688 [0,2,0,0,0,0|2,0,0]=4 19177 B13R1.555 COCSCCc1ccccc1C 62a_100011713688_100000766300 [0,2,0,0,0,0|2,0,0]=4 19178 B13R1.555 COCSCCc1ccccc1Cl 62a_100000766300_100011713703 [0,2,0,0,0,0|1,0,0]=3 19179 B13R1.555 COCSCCc1ccccc1Cl 62a_100011713703_100000766300 [0,2,0,0,0,0|1,0,0]=3 19180 B13R1.555 COCSCCc1ccccc1F 62a_100000766300_100011713696 [0,2,0,0,0,0|1,1,0]=4 19181 B13R1.555 COCSCCc1ccccc1F 62a_100011713696_100000766300 [0,2,0,0,0,0|1,1,0]=4 19182 B13R1.555 COCSCCc1ccccc1O 62a_100000722297_100000766300 [0,2,0,0,0,0|2,0,0]=4 19183 B13R1.555 COCSCCc1ccccc1O 62a_100000766300_100000722297 [0,2,0,0,0,0|2,0,0]=4 19184 B13R1.555 CSCCCOc1ccccc1Br 62a_200000210301_200011259276 [0,2,0,0,0,0|1,1,0]=4 19185 B13R1.555 CSCCCOc1ccccc1Br 62a_200011259276_200000210301 [0,2,0,0,0,0|1,1,0]=4 19186 B13R1.555 CSCCCOc1ccccc1C 62a_100000742659_200000210301 [0,2,0,0,0,0|2,0,0]=4 19187 B13R1.555 CSCCCOc1ccccc1C 62a_200000210301_100000742659 [0,2,0,0,0,0|2,0,0]=4 19188 B13R1.555 CSCCCOc1ccccc1F 62a_100011203253_200000210301 [0,2,0,0,0,0|1,1,0]=4 19189 B13R1.555 CSCCCOc1ccccc1F 62a_200000210301_100011203253 [0,2,0,0,0,0|1,1,0]=4 19190 B13R1.555 CSCCCSc1ccccc1Cl 62a_100000750589_200000210301 [0,2,0,0,0,0|1,0,0]=3 19191 B13R1.555 CSCCCSc1ccccc1Cl 62a_200000210301_100000750589 [0,2,0,0,0,0|1,0,0]=3 19192 B13R1.555 CSCCNCc1ccccc1Br 207a_100020590264_100000211189 [0,2,0,0,0,0|1,1,0]=4 19193 B13R1.555 CSCCNCc1ccccc1Br 2230a_100000689332_100000751147 [0,2,0,0,0,0|1,1,0]=4 19194 B13R1.555 CSCCNCc1ccccc1Br 2230a_100020590264_100000184730 [0,2,0,0,0,0|1,1,0]=4 19195 B13R1.555 CSCCNCc1ccccc1Br 270004a_100020590264_100000211189 [0,2,0,0,0,0|1,1,0]=4 19196 B13R1.555 CSCCNCc1ccccc1Br 34a_100000689332_100000212216 [0,2,0,0,0,0|1,1,0]=4 19197 B13R1.555 CSCCNCc1ccccc1C 207a_100020590264_100000211143 [0,2,0,0,0,0|2,0,0]=4 19198 B13R1.555 CSCCNCc1ccccc1C 2230a_100020590264_100000211839 [0,2,0,0,0,0|2,0,0]=4 19199 B13R1.555 CSCCNCc1ccccc1C 270004a_100020590264_100000211143 [0,2,0,0,0,0|2,0,0]=4 19200 B13R1.555 CSCCNCc1ccccc1C 34a_100000174972_100000212216 [0,2,0,0,0,0|2,0,0]=4 19201 B13R1.555 CSCCNCc1ccccc1Cl 207a_100020590264_100000210073 [0,2,0,0,0,0|1,0,0]=3 19202 B13R1.555 CSCCNCc1ccccc1Cl 2230a_100000174879_100000751147 [0,2,0,0,0,0|1,0,0]=3 19203 B13R1.555 CSCCNCc1ccccc1Cl 2230a_100020590264_100000187162 [0,2,0,0,0,0|1,0,0]=3 19204 B13R1.555 CSCCNCc1ccccc1Cl 270004a_100020590264_100000210073 [0,2,0,0,0,0|1,0,0]=3 19205 B13R1.555 CSCCNCc1ccccc1Cl 34a_100000174879_100000212216 [0,2,0,0,0,0|1,0,0]=3 19206 B13R1.555 CSCCNCc1ccccc1F 207a_100020590264_100000210811 [0,2,0,0,0,0|1,1,0]=4 19207 B13R1.555 CSCCNCc1ccccc1F 2230a_100020590264_100000211605 [0,2,0,0,0,0|1,1,0]=4 19208 B13R1.555 CSCCNCc1ccccc1F 270004a_100020590264_100000210811 [0,2,0,0,0,0|1,1,0]=4 19209 B13R1.555 CSCCNCc1ccccc1F 34a_100000174869_100000212216 [0,2,0,0,0,0|1,1,0]=4 19210 B13R1.555 CSCCNCc1ccccc1I 207a_100020590264_100000010305 [0,2,0,0,0,0|1,1,0]=4 19211 B13R1.555 CSCCNCc1ccccc1I 2230a_100020590264_100011215278 [0,2,0,0,0,0|1,1,0]=4 19212 B13R1.555 CSCCNCc1ccccc1I 270004a_100020590264_100000010305 [0,2,0,0,0,0|1,1,0]=4 19213 B13R1.555 CSCCNCc1ccccc1O 34a_100000185550_100000212216 [0,2,0,0,0,0|2,0,0]=4 19214 B13R1.555 CSCCNCc1cccnc1Cl 2230a_100015189234_100000751147 [0,2,0,0,0,0|2,0,0]=4 19215 B13R1.555 CSCCNCc1cccnc1Cl 2230a_100020590264_100000045678 [0,2,0,0,0,0|2,0,0]=4 19216 B13R1.555 CSCCNCc1cccnc1Cl 34a_100015189234_100000212216 [0,2,0,0,0,0|2,0,0]=4 19217 B13R1.555 CSCCNCc1ccncc1Cl 207a_100020590264_100011934409 [0,2,0,0,0,0|2,0,0]=4 19218 B13R1.555 CSCCNCc1ccncc1Cl 2230a_100020590264_100000763264 [0,2,0,0,0,0|2,0,0]=4 19219 B13R1.555 CSCCNCc1ccncc1Cl 270004a_100020590264_100011934409 [0,2,0,0,0,0|2,0,0]=4 19220 B13R1.555 CSCCNCc1cnccc1Cl 270004a_100020590264_100000050567 [0,2,0,0,0,0|2,0,0]=4 19221 B13R1.555 CSCCNCc1ncccc1Cl 207a_100020590264_100012001307 [0,2,0,0,0,0|2,0,0]=4 19222 B13R1.555 CSCCNCc1ncccc1Cl 2230a_100015189233_100000751147 [0,2,0,0,0,0|2,0,0]=4 19223 B13R1.555 CSCCNCc1ncccc1Cl 2230a_100020590264_100000099807 [0,2,0,0,0,0|2,0,0]=4 19224 B13R1.555 CSCCNCc1ncccc1Cl 270004a_100020590264_100012001307 [0,2,0,0,0,0|2,0,0]=4 19225 B13R1.555 CSCCOCc1ccccc1Br 34a_100000230434_100000184730 [0,2,0,0,0,0|1,1,0]=4 19226 B13R1.555 CSCCOCc1ccccc1Br 34a_100000756307_100000212216 [0,2,0,0,0,0|1,1,0]=4 19227 B13R1.555 CSCCOCc1ccccc1Br 7a_100000230434_100000184730 [0,2,0,0,0,0|1,1,0]=4 19228 B13R1.555 CSCCOCc1ccccc1Br 7a_100000756307_100000212216 [0,2,0,0,0,0|1,1,0]=4 19229 B13R1.555 CSCCOCc1ccccc1C 34a_100000230434_100000211839 [0,2,0,0,0,0|2,0,0]=4 19230 B13R1.555 CSCCOCc1ccccc1C 34a_100000698903_100000212216 [0,2,0,0,0,0|2,0,0]=4 19231 B13R1.555 CSCCOCc1ccccc1C 7a_100000230434_100000211839 [0,2,0,0,0,0|2,0,0]=4 19232 B13R1.555 CSCCOCc1ccccc1C 7a_100000698903_100000212216 [0,2,0,0,0,0|2,0,0]=4 19233 B13R1.555 CSCCOCc1ccccc1Cl 34a_100000210847_100000212216 [0,2,0,0,0,0|1,0,0]=3 19234 B13R1.555 CSCCOCc1ccccc1Cl 34a_100000230434_100000187162 [0,2,0,0,0,0|1,0,0]=3 19235 B13R1.555 CSCCOCc1ccccc1Cl 7a_100000210847_100000212216 [0,2,0,0,0,0|1,0,0]=3 19236 B13R1.555 CSCCOCc1ccccc1Cl 7a_100000230434_100000187162 [0,2,0,0,0,0|1,0,0]=3 19237 B13R1.555 CSCCOCc1ccccc1F 34a_100000211962_100000212216 [0,2,0,0,0,0|1,1,0]=4 19238 B13R1.555 CSCCOCc1ccccc1F 34a_100000230434_100000211605 [0,2,0,0,0,0|1,1,0]=4 19239 B13R1.555 CSCCOCc1ccccc1F 7a_100000211962_100000212216 [0,2,0,0,0,0|1,1,0]=4 19240 B13R1.555 CSCCOCc1ccccc1F 7a_100000230434_100000211605 [0,2,0,0,0,0|1,1,0]=4 19241 B13R1.555 CSCCOCc1ccccc1I 34a_100000187465_100000212216 [0,2,0,0,0,0|1,1,0]=4 19242 B13R1.555 CSCCOCc1ccccc1I 34a_100000230434_100011215278 [0,2,0,0,0,0|1,1,0]=4 19243 B13R1.555 CSCCOCc1ccccc1I 7a_100000187465_100000212216 [0,2,0,0,0,0|1,1,0]=4 19244 B13R1.555 CSCCOCc1ccccc1I 7a_100000230434_100011215278 [0,2,0,0,0,0|1,1,0]=4 19245 B13R1.555 CSCCOCc1ccccc1N 34a_100000212039_100000212216 [0,2,0,0,0,0|2,0,0]=4 19246 B13R1.555 CSCCOCc1cccnc1Cl 34a_100000230434_100000045678 [0,2,0,0,0,0|2,0,0]=4 19247 B13R1.555 CSCCOCc1cccnc1Cl 34a_100000748726_100000212216 [0,2,0,0,0,0|2,0,0]=4 19248 B13R1.555 CSCCOCc1cccnc1Cl 7a_100000230434_100000045678 [0,2,0,0,0,0|2,0,0]=4 19249 B13R1.555 CSCCOCc1cccnc1Cl 7a_100000748726_100000212216 [0,2,0,0,0,0|2,0,0]=4 19250 B13R1.555 CSCCOCc1ccncc1Cl 7a_100000230434_100000763264 [0,2,0,0,0,0|2,0,0]=4 19251 B13R1.555 CSCCOCc1cnccc1Cl 34a_100000117392_100000212216 [0,2,0,0,0,0|2,0,0]=4 19252 B13R1.555 CSCCOCc1ncccc1Cl 34a_100012002383_100000212216 [0,2,0,0,0,0|2,0,0]=4 19253 B13R1.555 CSCCOCc1ncccc1Cl 7a_100000230434_100000099807 [0,2,0,0,0,0|2,0,0]=4 19254 B13R1.555 CSCCSCc1ccccc1Br 62a_100000184730_100000751147 [0,2,0,0,0,0|1,1,0]=4 19255 B13R1.555 CSCCSCc1ccccc1Br 62a_100000212216_100000184730 [0,2,0,0,0,0|1,1,0]=4 19256 B13R1.555 CSCCSCc1ccccc1C 62a_100000211839_100000751147 [0,2,0,0,0,0|2,0,0]=4 19257 B13R1.555 CSCCSCc1ccccc1C 62a_100000212216_100000211839 [0,2,0,0,0,0|2,0,0]=4 19258 B13R1.555 CSCCSCc1ccccc1Cl 62a_100000187162_100000751147 [0,2,0,0,0,0|1,0,0]=3 19259 B13R1.555 CSCCSCc1ccccc1Cl 62a_100000212216_100000187162 [0,2,0,0,0,0|1,0,0]=3 19260 B13R1.555 CSCCSCc1ccccc1F 62a_100000211605_100000751147 [0,2,0,0,0,0|1,1,0]=4 19261 B13R1.555 CSCCSCc1ccccc1F 62a_100000212216_100000211605 [0,2,0,0,0,0|1,1,0]=4 19262 B13R1.555 CSCCSCc1ccccc1I 62a_100000212216_100011216222 [0,2,0,0,0,0|1,1,0]=4 19263 B13R1.555 CSCCSCc1ccccc1I 62a_100011216222_100000751147 [0,2,0,0,0,0|1,1,0]=4 19264 B13R1.555 CSCCSCc1cccnc1Cl 62a_100000045678_100000751147 [0,2,0,0,0,0|2,0,0]=4 19265 B13R1.555 CSCCSCc1cccnc1Cl 62a_100000212216_100000045678 [0,2,0,0,0,0|2,0,0]=4 19266 B13R1.555 CSCCSCc1ccncc1Cl 62a_100000212216_100000763264 [0,2,0,0,0,0|2,0,0]=4 19267 B13R1.555 CSCCSCc1ccncc1Cl 62a_100000763264_100000751147 [0,2,0,0,0,0|2,0,0]=4 19268 B13R1.555 CSCCSCc1ncccc1Cl 62a_100000099807_100000751147 [0,2,0,0,0,0|2,0,0]=4 19269 B13R1.555 CSCCSCc1ncccc1Cl 62a_100000212216_100000099807 [0,2,0,0,0,0|2,0,0]=4 19270 B13R1.555 CSCNCCc1ccccc1Br 2230a_100000747383_100011218213 [0,2,0,0,0,0|0,1,0]=3 19271 B13R1.555 CSCNCCc1ccccc1Br 34a_100000747383_100011218213 [0,2,0,0,0,0|0,1,0]=3 19272 B13R1.555 CSCNCCc1ccccc1C 2230a_100000685071_100011218213 [0,2,0,0,0,0|1,0,0]=3 19273 B13R1.555 CSCNCCc1ccccc1C 34a_100000685071_100011218213 [0,2,0,0,0,0|1,0,0]=3 19274 B13R1.555 CSCNCCc1ccccc1Cl 2230a_100011207228_100011218213 [0,2,0,0,0,0|0,0,0]=2 19275 B13R1.555 CSCNCCc1ccccc1Cl 34a_100011207228_100011218213 [0,2,0,0,0,0|0,0,0]=2 19276 B13R1.555 CSCNCCc1ccccc1F 2230a_100000185272_100011218213 [0,2,0,0,0,0|0,1,0]=3 19277 B13R1.555 CSCNCCc1ccccc1F 34a_100000185272_100011218213 [0,2,0,0,0,0|0,1,0]=3 19278 B13R1.555 CSCNCCc1ccccc1O 34a_100011207237_100011218213 [0,2,0,0,0,0|1,0,0]=3 19279 B13R1.555 CSCNCCn1ccccc1=O 2230a_100000687133_100011218213 [0,2,0,0,0,0|2,0,0]=4 19280 B13R1.555 CSCOCCc1ccccc1Br 34a_100000731337_100011218213 [0,2,0,0,0,0|1,1,0]=4 19281 B13R1.555 CSCOCCc1ccccc1C 34a_100011220023_100011218213 [0,2,0,0,0,0|2,0,0]=4 19282 B13R1.555 CSCOCCc1ccccc1Cl 34a_100011215284_100011218213 [0,2,0,0,0,0|1,0,0]=3 19283 B13R1.555 CSCOCCc1ccccc1F 34a_100000753711_100011218213 [0,2,0,0,0,0|1,1,0]=4 19284 B13R1.555 CSCOCCc1ccccc1I 34a_100010255290_100011218213 [0,2,0,0,0,0|1,1,0]=4 19285 B13R1.555 CSCOCCc1ccccc1N 34a_100011215289_100011218213 [0,2,0,0,0,0|2,0,0]=4 19286 B13R1.555 CSCSCCc1ccccc1Br 62a_100011218213_100012161201 [0,2,0,0,0,0|1,1,0]=4 19287 B13R1.555 CSCSCCc1ccccc1Br 62a_100012161201_100011218213 [0,2,0,0,0,0|1,1,0]=4 19288 B13R1.555 CSCSCCc1ccccc1C 62a_100011218213_100011713688 [0,2,0,0,0,0|2,0,0]=4 19289 B13R1.555 CSCSCCc1ccccc1C 62a_100011713688_100011218213 [0,2,0,0,0,0|2,0,0]=4 19290 B13R1.555 CSCSCCc1ccccc1Cl 62a_100011218213_100011713703 [0,2,0,0,0,0|1,0,0]=3 19291 B13R1.555 CSCSCCc1ccccc1Cl 62a_100011713703_100011218213 [0,2,0,0,0,0|1,0,0]=3 19292 B13R1.555 CSCSCCc1ccccc1F 62a_100011218213_100011713696 [0,2,0,0,0,0|1,1,0]=4 19293 B13R1.555 CSCSCCc1ccccc1F 62a_100011713696_100011218213 [0,2,0,0,0,0|1,1,0]=4 19294 B13R1.555 CSCSCCc1ccccc1O 62a_100000722297_100011218213 [0,2,0,0,0,0|2,0,0]=4 19295 B13R1.555 CSCSCCc1ccccc1O 62a_100011218213_100000722297 [0,2,0,0,0,0|2,0,0]=4 19296 B13R1.555 Cc1ccccc1CCNCC#N 2230a_100000685071_100011215382 [0,2,0,0,0,0|1,0,0]=3 19297 B13R1.555 Cc1ccccc1CCNCC=O 2230a_100000685071_200015260668 [0,2,0,0,0,0|1,0,0]=3 19298 B13R1.555 Cc1ccccc1CCNCC=O 34a_100000685071_200009817547 [0,2,0,0,0,0|1,0,0]=3 19299 B13R1.555 Cc1ccccc1CCNCCF 2230a_100000685071_100011217306 [0,2,0,0,0,0|1,0,0]=3 19300 B13R1.555 Cc1ccccc1CCNCCF 34a_100000685071_100011217306 [0,2,0,0,0,0|1,0,0]=3 19301 B13R1.555 Cc1ccccc1CCNCCF 34a_100000724931_100011713688 [0,2,0,0,0,0|1,0,0]=3 19302 B13R1.555 Cc1ccccc1CCNCCO 2230a_100000685071_100000211926 [0,2,0,0,0,0|1,0,0]=3 19303 B13R1.555 Cc1ccccc1CCNCCO 2230a_100016997473_100011713688 [0,2,0,0,0,0|1,0,0]=3 19304 B13R1.555 Cc1ccccc1CCNCCO 34a_100000685071_100000211926 [0,2,0,0,0,0|1,0,0]=3 19305 B13R1.555 Cc1ccccc1CCNCCO 34a_100016990907_100011713688 [0,2,0,0,0,0|1,0,0]=3 19306 B13R1.555 Cc1ccccc1CCOCC#N 7a_100011220023_100011215382 [0,2,0,0,0,0|2,0,0]=4 19307 B13R1.555 Cc1ccccc1CCOCC=O 34a_100011220023_200009817547 [0,2,0,0,0,0|2,0,0]=4 19308 B13R1.555 Cc1ccccc1CCOCC=O 7a_100011220023_200015260668 [0,2,0,0,0,0|2,0,0]=4 19309 B13R1.555 Cc1ccccc1CCOCCBr 34a_100000211926_100011713688 [0,2,0,0,0,0|2,0,0]=4 19310 B13R1.555 Cc1ccccc1CCOCCF 34a_100011220023_100011217306 [0,2,0,0,0,0|2,0,0]=4 19311 B13R1.555 Cc1ccccc1CCOCCF 7a_100011220023_100011217306 [0,2,0,0,0,0|2,0,0]=4 19312 B13R1.555 Cc1ccccc1CCOCCN 34a_100000210304_100011713688 [0,2,0,0,0,0|2,0,0]=4 19313 B13R1.555 Cc1ccccc1CCOCCO 34a_100011220023_100000211926 [0,2,0,0,0,0|2,0,0]=4 19314 B13R1.555 Cc1ccccc1CCOCCO 7a_100011220023_100000211926 [0,2,0,0,0,0|2,0,0]=4 19315 B13R1.555 Cc1ccccc1CCSCC#N 62a_100011215382_100011713688 [0,2,0,0,0,0|2,0,0]=4 19316 B13R1.555 Cc1ccccc1CCSCC#N 62a_100011713688_100011215382 [0,2,0,0,0,0|2,0,0]=4 19317 B13R1.555 Cc1ccccc1CCSCC=O 62a_100011713688_200015260668 [0,2,0,0,0,0|2,0,0]=4 19318 B13R1.555 Cc1ccccc1CCSCC=O 62a_200015260668_100011713688 [0,2,0,0,0,0|2,0,0]=4 19319 B13R1.555 Cc1ccccc1CCSCCF 62a_100011217306_100011713688 [0,2,0,0,0,0|2,0,0]=4 19320 B13R1.555 Cc1ccccc1CCSCCF 62a_100011713688_100011217306 [0,2,0,0,0,0|2,0,0]=4 19321 B13R1.555 Cc1ccccc1CCSCCO 62a_100000211926_100011713688 [0,2,0,0,0,0|2,0,0]=4 19322 B13R1.555 Cc1ccccc1CCSCCO 62a_100011713688_100000211926 [0,2,0,0,0,0|2,0,0]=4 19323 B13R1.555 Cc1ccccc1CNCCCF 207a_100015189416_100000211143 [0,2,0,0,0,0|2,0,0]=4 19324 B13R1.555 Cc1ccccc1CNCCCF 2230a_100015189416_100000211839 [0,2,0,0,0,0|2,0,0]=4 19325 B13R1.555 Cc1ccccc1CNCCCF 270004a_100015189416_100000211143 [0,2,0,0,0,0|2,0,0]=4 19326 B13R1.555 Cc1ccccc1CNCCCF 34a_100000174972_100011934791 [0,2,0,0,0,0|2,0,0]=4 19327 B13R1.555 Cc1ccccc1CNCCCF 34a_100015189416_100000211839 [0,2,0,0,0,0|2,0,0]=4 19328 B13R1.555 Cc1ccccc1CNCCCO 207a_100000182051_100000211143 [0,2,0,0,0,0|2,0,0]=4 19329 B13R1.555 Cc1ccccc1CNCCCO 270004a_100000182051_100000211143 [0,2,0,0,0,0|2,0,0]=4 19330 B13R1.555 Cc1ccccc1CNCCCO 34a_100000174972_100000230001 [0,2,0,0,0,0|2,0,0]=4 19331 B13R1.555 Cc1ccccc1COCCCBr 34a_100011217188_100000211839 [0,2,0,0,0,0|2,0,0]=4 19332 B13R1.555 Cc1ccccc1COCCCCl 34a_100000230001_100000211839 [0,2,0,0,0,0|2,0,0]=4 19333 B13R1.555 Cc1ccccc1COCCCF 34a_100000698903_100011934791 [0,2,0,0,0,0|2,0,0]=4 19334 B13R1.555 Cc1ccccc1COCCCF 34a_100000759539_100000211839 [0,2,0,0,0,0|2,0,0]=4 19335 B13R1.555 Cc1ccccc1COCCCF 7a_100000698903_100011934791 [0,2,0,0,0,0|2,0,0]=4 19336 B13R1.555 Cc1ccccc1COCCCN 34a_100000182051_100000211839 [0,2,0,0,0,0|2,0,0]=4 19337 B13R1.555 Cc1ccccc1COCCCO 34a_100000698903_100000230001 [0,2,0,0,0,0|2,0,0]=4 19338 B13R1.555 Cc1ccccc1COCCCO 7a_100000698903_100011215043 [0,2,0,0,0,0|2,0,0]=4 19339 B13R1.555 Cc1ccccc1CSCCCF 62a_100000211839_100011934791 [0,2,0,0,0,0|2,0,0]=4 19340 B13R1.555 Cc1ccccc1CSCCCF 62a_100011934791_100000211839 [0,2,0,0,0,0|2,0,0]=4 19341 B13R1.555 Cc1ccccc1CSCCCO 62a_100000211839_100011215043 [0,2,0,0,0,0|2,0,0]=4 19342 B13R1.555 Cc1ccccc1CSCCCO 62a_100011215043_100000211839 [0,2,0,0,0,0|2,0,0]=4 19343 B13R1.555 Cc1ccccc1CSCCN[13CH3] 2230a_200000189569_200025704644 [0,2,0,0,0,0|1,0,0]=3 19344 B13R1.555 Cc1ccccc1CSCCN[13CH3] 34a_200000189569_200025704644 [0,2,0,0,0,0|1,0,0]=3 19345 B13R1.555 Cc1ccccc1CSCCN[13CH3] 7a_200000189569_200025704644 [0,2,0,0,0,0|1,0,0]=3 19346 B13R1.555 Cc1ccccc1NCCCCF 34a_100015192222_100000729493 [0,2,0,0,0,0|2,0,0]=4 19347 B13R1.555 Cc1ccccc1NCCCCO 34a_100015192222_100011216708 [0,2,0,0,0,0|2,0,0]=4 19348 B13R1.555 Cc1ccccc1NCCOCF 34a_100011233185_100015361967 [0,2,0,0,0,0|2,0,0]=4 19349 B13R1.555 Cc1ccccc1OCCCCF 34a_100000210338_100000729493 [0,2,0,0,0,0|2,0,0]=4 19350 B13R1.555 Cc1ccccc1OCCCCF 7a_100000210338_100000729493 [0,2,0,0,0,0|2,0,0]=4 19351 B13R1.555 Cc1ccccc1OCCCCO 34a_100000210338_100011216708 [0,2,0,0,0,0|2,0,0]=4 19352 B13R1.555 Cc1ccccc1OCCCCO 7a_100000210338_100000210776 [0,2,0,0,0,0|2,0,0]=4 19353 B13R1.555 Cc1ccccc1OCCCN[13CH3] 2230a_106633784460_200025704644 [0,2,0,0,0,0|1,0,0]=3 19354 B13R1.555 Cc1ccccc1OCCCN[13CH3] 34a_106633784460_200025704644 [0,2,0,0,0,0|1,0,0]=3 19355 B13R1.555 Cc1ccccc1OCCCS[13CH3] 62a_100000742659_200025704644 [0,2,0,0,0,0|2,0,0]=4 19356 B13R1.555 Cc1ccccc1OCCCS[13CH3] 62a_200025704644_100000742659 [0,2,0,0,0,0|2,0,0]=4 19357 B13R1.555 Cc1ccccc1OCCNCF 34a_100000743344_100015361967 [0,2,0,0,0,0|1,0,0]=3 19358 B13R1.555 Cc1ccccc1OCCSCF 62a_100000184434_100015361967 [0,2,0,0,0,0|2,0,0]=4 19359 B13R1.555 Cc1ccccc1OCCSCF 62a_100015361967_100000184434 [0,2,0,0,0,0|2,0,0]=4 19360 B13R1.555 Cc1ccccc1SCCCCF 62a_100000210755_100000729493 [0,2,0,0,0,0|2,0,0]=4 19361 B13R1.555 Cc1ccccc1SCCCCF 62a_100000729493_100000210755 [0,2,0,0,0,0|2,0,0]=4 19362 B13R1.555 Cc1ccccc1SCCCCO 62a_100000210755_100000210776 [0,2,0,0,0,0|2,0,0]=4 19363 B13R1.555 Cc1ccccc1SCCCCO 62a_100000210776_100000210755 [0,2,0,0,0,0|2,0,0]=4 19364 B13R1.555 ClCCCOCc1ccccc1Br 34a_100000230001_100000184730 [0,2,0,0,0,0|1,1,0]=4 19365 B13R1.555 ClCCCOCc1ccccc1Cl 34a_100000230001_100000187162 [0,2,0,0,0,0|1,0,0]=3 19366 B13R1.555 ClCCCOCc1ccccc1I 34a_100000230001_100011215278 [0,2,0,0,0,0|1,1,0]=4 19367 B13R1.555 ClCCCOCc1cccnc1Cl 34a_100000230001_100000045678 [0,2,0,0,0,0|2,0,0]=4 19368 B13R1.555 Clc1ccccc1CCOCCBr 34a_100000211926_100011713703 [0,2,0,0,0,0|1,0,0]=3 19369 B13R1.555 Clc1ccccc1COCCCBr 34a_100011217188_100000187162 [0,2,0,0,0,0|1,0,0]=3 19370 B13R1.555 Clc1ncccc1COCCCBr 34a_100011217188_100000045678 [0,2,0,0,0,0|2,0,0]=4 19371 B13R1.555 FCCCCNc1ccccc1Br 34a_100000210017_100000729493 [0,2,0,0,0,0|1,1,0]=4 19372 B13R1.555 FCCCCNc1ccccc1Cl 34a_100000185783_100000729493 [0,2,0,0,0,0|1,0,0]=3 19373 B13R1.555 FCCCCNc1ccccc1F 34a_100000210422_100000729493 [0,2,0,0,0,0|1,1,0]=4 19374 B13R1.555 FCCCCNc1ccccc1I 34a_100000210053_100000729493 [0,2,0,0,0,0|1,1,0]=4 19375 B13R1.555 FCCCCOc1ccccc1Br 34a_100000181306_100000729493 [0,2,0,0,0,0|1,1,0]=4 19376 B13R1.555 FCCCCOc1ccccc1Br 7a_100000181306_100000729493 [0,2,0,0,0,0|1,1,0]=4 19377 B13R1.555 FCCCCOc1ccccc1Cl 34a_100000210172_100000729493 [0,2,0,0,0,0|1,0,0]=3 19378 B13R1.555 FCCCCOc1ccccc1Cl 7a_100000210172_100000729493 [0,2,0,0,0,0|1,0,0]=3 19379 B13R1.555 FCCCCOc1ccccc1F 34a_100000210171_100000729493 [0,2,0,0,0,0|1,1,0]=4 19380 B13R1.555 FCCCCOc1ccccc1F 7a_100000210171_100000729493 [0,2,0,0,0,0|1,1,0]=4 19381 B13R1.555 FCCCCOc1ccccc1I 34a_100000739446_100000729493 [0,2,0,0,0,0|1,1,0]=4 19382 B13R1.555 FCCCCOc1ccccc1I 7a_100000739446_100000729493 [0,2,0,0,0,0|1,1,0]=4 19383 B13R1.555 FCCCCOc1cccnc1Cl 34a_100000757616_100000729493 [0,2,0,0,0,0|2,0,0]=4 19384 B13R1.555 FCCCCOc1cccnc1Cl 7a_100000757616_100000729493 [0,2,0,0,0,0|2,0,0]=4 19385 B13R1.555 FCCCCOc1ccncc1Cl 34a_100011997054_100000729493 [0,2,0,0,0,0|2,0,0]=4 19386 B13R1.555 FCCCCOc1cnccc1Cl 34a_100011996695_100000729493 [0,2,0,0,0,0|2,0,0]=4 19387 B13R1.555 FCCCCOc1ncccc1Cl 34a_100011290957_100000729493 [0,2,0,0,0,0|2,0,0]=4 19388 B13R1.555 FCCCCSc1ccccc1Br 62a_100000695589_100000729493 [0,2,0,0,0,0|1,1,0]=4 19389 B13R1.555 FCCCCSc1ccccc1Br 62a_100000729493_100000695589 [0,2,0,0,0,0|1,1,0]=4 19390 B13R1.555 FCCCCSc1ccccc1Cl 62a_100000729493_100000764095 [0,2,0,0,0,0|1,0,0]=3 19391 B13R1.555 FCCCCSc1ccccc1Cl 62a_100000764095_100000729493 [0,2,0,0,0,0|1,0,0]=3 19392 B13R1.555 FCCCCSc1ccccc1F 62a_100000729493_100011215700 [0,2,0,0,0,0|1,1,0]=4 19393 B13R1.555 FCCCCSc1ccccc1F 62a_100011215700_100000729493 [0,2,0,0,0,0|1,1,0]=4 19394 B13R1.555 FCCCCSc1cccnc1Cl 62a_100000036424_100000729493 [0,2,0,0,0,0|2,0,0]=4 19395 B13R1.555 FCCCCSc1cccnc1Cl 62a_100000729493_100000036424 [0,2,0,0,0,0|2,0,0]=4 19396 B13R1.555 FCCCCSc1ccncc1Cl 62a_100000708259_100000729493 [0,2,0,0,0,0|2,0,0]=4 19397 B13R1.555 FCCCCSc1ccncc1Cl 62a_100000729493_100000708259 [0,2,0,0,0,0|2,0,0]=4 19398 B13R1.555 FCCCCSc1cnccc1Cl 62a_100000729493_100009995489 [0,2,0,0,0,0|2,0,0]=4 19399 B13R1.555 FCCCCSc1cnccc1Cl 62a_100009995489_100000729493 [0,2,0,0,0,0|2,0,0]=4 19400 B13R1.555 FCCCCSc1ncccc1Cl 62a_100000729493_100011356963 [0,2,0,0,0,0|2,0,0]=4 19401 B13R1.555 FCCCCSc1ncccc1Cl 62a_100011356963_100000729493 [0,2,0,0,0,0|2,0,0]=4 19402 B13R1.555 FCCCNCc1ccccc1Br 207a_100015189416_100000211189 [0,2,0,0,0,0|1,1,0]=4 19403 B13R1.555 FCCCNCc1ccccc1Br 2230a_100000689332_100011934791 [0,2,0,0,0,0|1,1,0]=4 19404 B13R1.555 FCCCNCc1ccccc1Br 2230a_100015189416_100000184730 [0,2,0,0,0,0|1,1,0]=4 19405 B13R1.555 FCCCNCc1ccccc1Br 270004a_100015189416_100000211189 [0,2,0,0,0,0|1,1,0]=4 19406 B13R1.555 FCCCNCc1ccccc1Br 34a_100000689332_100011934791 [0,2,0,0,0,0|1,1,0]=4 19407 B13R1.555 FCCCNCc1ccccc1Br 34a_100015189416_100000184730 [0,2,0,0,0,0|1,1,0]=4 19408 B13R1.555 FCCCNCc1ccccc1Cl 207a_100015189416_100000210073 [0,2,0,0,0,0|1,0,0]=3 19409 B13R1.555 FCCCNCc1ccccc1Cl 2230a_100000174879_100011934791 [0,2,0,0,0,0|1,0,0]=3 19410 B13R1.555 FCCCNCc1ccccc1Cl 2230a_100015189416_100000187162 [0,2,0,0,0,0|1,0,0]=3 19411 B13R1.555 FCCCNCc1ccccc1Cl 270004a_100015189416_100000210073 [0,2,0,0,0,0|1,0,0]=3 19412 B13R1.555 FCCCNCc1ccccc1Cl 34a_100000174879_100011934791 [0,2,0,0,0,0|1,0,0]=3 19413 B13R1.555 FCCCNCc1ccccc1Cl 34a_100015189416_100000187162 [0,2,0,0,0,0|1,0,0]=3 19414 B13R1.555 FCCCNCc1ccccc1F 207a_100015189416_100000210811 [0,2,0,0,0,0|1,1,0]=4 19415 B13R1.555 FCCCNCc1ccccc1F 2230a_100015189416_100000211605 [0,2,0,0,0,0|1,1,0]=4 19416 B13R1.555 FCCCNCc1ccccc1F 270004a_100015189416_100000210811 [0,2,0,0,0,0|1,1,0]=4 19417 B13R1.555 FCCCNCc1ccccc1F 34a_100000174869_100011934791 [0,2,0,0,0,0|1,1,0]=4 19418 B13R1.555 FCCCNCc1ccccc1F 34a_100015189416_100000211605 [0,2,0,0,0,0|1,1,0]=4 19419 B13R1.555 FCCCNCc1ccccc1I 207a_100015189416_100000010305 [0,2,0,0,0,0|1,1,0]=4 19420 B13R1.555 FCCCNCc1ccccc1I 2230a_100015189416_100011215278 [0,2,0,0,0,0|1,1,0]=4 19421 B13R1.555 FCCCNCc1ccccc1I 270004a_100015189416_100000010305 [0,2,0,0,0,0|1,1,0]=4 19422 B13R1.555 FCCCNCc1ccccc1I 34a_100015189416_100011215278 [0,2,0,0,0,0|1,1,0]=4 19423 B13R1.555 FCCCNCc1cccnc1Cl 2230a_100015189234_100011934791 [0,2,0,0,0,0|2,0,0]=4 19424 B13R1.555 FCCCNCc1cccnc1Cl 2230a_100015189416_100000045678 [0,2,0,0,0,0|2,0,0]=4 19425 B13R1.555 FCCCNCc1cccnc1Cl 34a_100015189234_100011934791 [0,2,0,0,0,0|2,0,0]=4 19426 B13R1.555 FCCCNCc1cccnc1Cl 34a_100015189416_100000045678 [0,2,0,0,0,0|2,0,0]=4 19427 B13R1.555 FCCCNCc1ccncc1Cl 207a_100015189416_100011934409 [0,2,0,0,0,0|2,0,0]=4 19428 B13R1.555 FCCCNCc1ccncc1Cl 2230a_100015189416_100000763264 [0,2,0,0,0,0|2,0,0]=4 19429 B13R1.555 FCCCNCc1ccncc1Cl 270004a_100015189416_100011934409 [0,2,0,0,0,0|2,0,0]=4 19430 B13R1.555 FCCCNCc1cnccc1Cl 270004a_100015189416_100000050567 [0,2,0,0,0,0|2,0,0]=4 19431 B13R1.555 FCCCNCc1ncccc1Cl 207a_100015189416_100012001307 [0,2,0,0,0,0|2,0,0]=4 19432 B13R1.555 FCCCNCc1ncccc1Cl 2230a_100015189233_100011934791 [0,2,0,0,0,0|2,0,0]=4 19433 B13R1.555 FCCCNCc1ncccc1Cl 2230a_100015189416_100000099807 [0,2,0,0,0,0|2,0,0]=4 19434 B13R1.555 FCCCNCc1ncccc1Cl 270004a_100015189416_100012001307 [0,2,0,0,0,0|2,0,0]=4 19435 B13R1.555 FCCCOCc1ccccc1Br 34a_100000756307_100011934791 [0,2,0,0,0,0|1,1,0]=4 19436 B13R1.555 FCCCOCc1ccccc1Br 34a_100000759539_100000184730 [0,2,0,0,0,0|1,1,0]=4 19437 B13R1.555 FCCCOCc1ccccc1Br 7a_100000756307_100011934791 [0,2,0,0,0,0|1,1,0]=4 19438 B13R1.555 FCCCOCc1ccccc1Cl 34a_100000210847_100011934791 [0,2,0,0,0,0|1,0,0]=3 19439 B13R1.555 FCCCOCc1ccccc1Cl 34a_100000759539_100000187162 [0,2,0,0,0,0|1,0,0]=3 19440 B13R1.555 FCCCOCc1ccccc1Cl 7a_100000210847_100011934791 [0,2,0,0,0,0|1,0,0]=3 19441 B13R1.555 FCCCOCc1ccccc1F 34a_100000211962_100011934791 [0,2,0,0,0,0|1,1,0]=4 19442 B13R1.555 FCCCOCc1ccccc1F 34a_100000759539_100000211605 [0,2,0,0,0,0|1,1,0]=4 19443 B13R1.555 FCCCOCc1ccccc1F 7a_100000211962_100011934791 [0,2,0,0,0,0|1,1,0]=4 19444 B13R1.555 FCCCOCc1ccccc1I 34a_100000187465_100011934791 [0,2,0,0,0,0|1,1,0]=4 19445 B13R1.555 FCCCOCc1ccccc1I 34a_100000759539_100011215278 [0,2,0,0,0,0|1,1,0]=4 19446 B13R1.555 FCCCOCc1ccccc1I 7a_100000187465_100011934791 [0,2,0,0,0,0|1,1,0]=4 19447 B13R1.555 FCCCOCc1cccnc1Cl 34a_100000748726_100011934791 [0,2,0,0,0,0|2,0,0]=4 19448 B13R1.555 FCCCOCc1cccnc1Cl 34a_100000759539_100000045678 [0,2,0,0,0,0|2,0,0]=4 19449 B13R1.555 FCCCOCc1cccnc1Cl 7a_100000748726_100011934791 [0,2,0,0,0,0|2,0,0]=4 19450 B13R1.555 FCCCOCc1cnccc1Cl 34a_100000117392_100011934791 [0,2,0,0,0,0|2,0,0]=4 19451 B13R1.555 FCCCOCc1ncccc1Cl 34a_100012002383_100011934791 [0,2,0,0,0,0|2,0,0]=4 19452 B13R1.555 FCCCSCc1ccccc1Br 62a_100000184730_100011934791 [0,2,0,0,0,0|1,1,0]=4 19453 B13R1.555 FCCCSCc1ccccc1Br 62a_100011934791_100000184730 [0,2,0,0,0,0|1,1,0]=4 19454 B13R1.555 FCCCSCc1ccccc1Cl 62a_100000187162_100011934791 [0,2,0,0,0,0|1,0,0]=3 19455 B13R1.555 FCCCSCc1ccccc1Cl 62a_100011934791_100000187162 [0,2,0,0,0,0|1,0,0]=3 19456 B13R1.555 FCCCSCc1ccccc1F 62a_100000211605_100011934791 [0,2,0,0,0,0|1,1,0]=4 19457 B13R1.555 FCCCSCc1ccccc1F 62a_100011934791_100000211605 [0,2,0,0,0,0|1,1,0]=4 19458 B13R1.555 FCCCSCc1ccccc1I 62a_100011216222_100011934791 [0,2,0,0,0,0|1,1,0]=4 19459 B13R1.555 FCCCSCc1ccccc1I 62a_100011934791_100011216222 [0,2,0,0,0,0|1,1,0]=4 19460 B13R1.555 FCCCSCc1cccnc1Cl 62a_100000045678_100011934791 [0,2,0,0,0,0|2,0,0]=4 19461 B13R1.555 FCCCSCc1cccnc1Cl 62a_100011934791_100000045678 [0,2,0,0,0,0|2,0,0]=4 19462 B13R1.555 FCCCSCc1ccncc1Cl 62a_100000763264_100011934791 [0,2,0,0,0,0|2,0,0]=4 19463 B13R1.555 FCCCSCc1ccncc1Cl 62a_100011934791_100000763264 [0,2,0,0,0,0|2,0,0]=4 19464 B13R1.555 FCCCSCc1ncccc1Cl 62a_100000099807_100011934791 [0,2,0,0,0,0|2,0,0]=4 19465 B13R1.555 FCCCSCc1ncccc1Cl 62a_100011934791_100000099807 [0,2,0,0,0,0|2,0,0]=4 19466 B13R1.555 FCCNCCc1ccccc1Br 2230a_100000747383_100011217306 [0,2,0,0,0,0|0,1,0]=3 19467 B13R1.555 FCCNCCc1ccccc1Br 34a_100000724931_100012161201 [0,2,0,0,0,0|0,1,0]=3 19468 B13R1.555 FCCNCCc1ccccc1Br 34a_100000747383_100011217306 [0,2,0,0,0,0|0,1,0]=3 19469 B13R1.555 FCCNCCc1ccccc1Cl 2230a_100011207228_100011217306 [0,2,0,0,0,0|0,0,0]=2 19470 B13R1.555 FCCNCCc1ccccc1Cl 34a_100000724931_100011713703 [0,2,0,0,0,0|0,0,0]=2 19471 B13R1.555 FCCNCCc1ccccc1Cl 34a_100011207228_100011217306 [0,2,0,0,0,0|0,0,0]=2 19472 B13R1.555 FCCNCCc1ccccc1F 2230a_100000185272_100011217306 [0,2,0,0,0,0|0,1,0]=3 19473 B13R1.555 FCCNCCc1ccccc1F 34a_100000185272_100011217306 [0,2,0,0,0,0|0,1,0]=3 19474 B13R1.555 FCCNCCc1ccccc1F 34a_100000724931_100000720011 [0,2,0,0,0,0|0,1,0]=3 19475 B13R1.555 FCCOCCc1ccccc1Br 34a_100000731337_100011217306 [0,2,0,0,0,0|1,1,0]=4 19476 B13R1.555 FCCOCCc1ccccc1Br 7a_100000731337_100011217306 [0,2,0,0,0,0|1,1,0]=4 19477 B13R1.555 FCCOCCc1ccccc1Cl 34a_100011215284_100011217306 [0,2,0,0,0,0|1,0,0]=3 19478 B13R1.555 FCCOCCc1ccccc1Cl 7a_100011215284_100011217306 [0,2,0,0,0,0|1,0,0]=3 19479 B13R1.555 FCCOCCc1ccccc1F 34a_100000753711_100011217306 [0,2,0,0,0,0|1,1,0]=4 19480 B13R1.555 FCCOCCc1ccccc1F 7a_100000753711_100011217306 [0,2,0,0,0,0|1,1,0]=4 19481 B13R1.555 FCCOCCc1ccccc1I 34a_100010255290_100011217306 [0,2,0,0,0,0|1,1,0]=4 19482 B13R1.555 FCCOCCc1ccccc1I 7a_100010255290_100011217306 [0,2,0,0,0,0|1,1,0]=4 19483 B13R1.555 FCCSCCc1ccccc1Br 62a_100011217306_100012161201 [0,2,0,0,0,0|1,1,0]=4 19484 B13R1.555 FCCSCCc1ccccc1Br 62a_100012161201_100011217306 [0,2,0,0,0,0|1,1,0]=4 19485 B13R1.555 FCCSCCc1ccccc1Cl 62a_100011217306_100011713703 [0,2,0,0,0,0|1,0,0]=3 19486 B13R1.555 FCCSCCc1ccccc1Cl 62a_100011713703_100011217306 [0,2,0,0,0,0|1,0,0]=3 19487 B13R1.555 FCCSCCc1ccccc1F 62a_100011217306_100011713696 [0,2,0,0,0,0|1,1,0]=4 19488 B13R1.555 FCCSCCc1ccccc1F 62a_100011713696_100011217306 [0,2,0,0,0,0|1,1,0]=4 19489 B13R1.555 FCNCCCc1ccccc1F 34a_100000724733_100015361967 [0,2,0,0,0,0|0,1,0]=3 19490 B13R1.555 FCNCCOc1ccccc1Br 34a_100000744007_100015361967 [0,2,0,0,0,0|0,1,0]=3 19491 B13R1.555 FCNCCOc1ccccc1Cl 34a_100000174932_100015361967 [0,2,0,0,0,0|0,0,0]=2 19492 B13R1.555 FCNCCOc1ccccc1F 34a_100000683764_100015361967 [0,2,0,0,0,0|0,1,0]=3 19493 B13R1.555 FCOCC#Cc1ccccc1Cl 34a_100011219350_100015361967 [0,2,0,0,0,0|1,0,1]=4 19494 B13R1.555 FCOCC#Cc1ccccc1Cl 7a_100011219350_100015361967 [0,2,0,0,0,0|1,0,1]=4 19495 B13R1.555 FCOCCCc1ccccc1Br 34a_100000699526_100015361967 [0,2,0,0,0,0|1,1,0]=4 19496 B13R1.555 FCOCCCc1ccccc1Br 7a_100000699526_100015361967 [0,2,0,0,0,0|1,1,0]=4 19497 B13R1.555 FCOCCCc1ccccc1Cl 34a_100011709251_100015361967 [0,2,0,0,0,0|1,0,0]=3 19498 B13R1.555 FCOCCCc1ccccc1Cl 7a_100011709251_100015361967 [0,2,0,0,0,0|1,0,0]=3 19499 B13R1.555 FCOCCCc1ccccc1F 34a_100011709249_100015361967 [0,2,0,0,0,0|1,1,0]=4 19500 B13R1.555 FCOCCCc1ccccc1F 7a_100011709249_100015361967 [0,2,0,0,0,0|1,1,0]=4 19501 B13R1.555 FCOCCOc1ccccc1Br 34a_100000230753_100015361967 [0,2,0,0,0,0|1,1,0]=4 19502 B13R1.555 FCOCCOc1ccccc1Br 7a_100000230753_100015361967 [0,2,0,0,0,0|1,1,0]=4 19503 B13R1.555 FCOCCOc1ccccc1Cl 34a_200000230518_100015361967 [0,2,0,0,0,0|1,0,0]=3 19504 B13R1.555 FCOCCOc1ccccc1Cl 7a_200000230518_100015361967 [0,2,0,0,0,0|1,0,0]=3 19505 B13R1.555 FCOCCOc1ccccc1F 34a_100000756447_100015361967 [0,2,0,0,0,0|1,1,0]=4 19506 B13R1.555 FCOCCOc1ccccc1F 7a_100000756447_100015361967 [0,2,0,0,0,0|1,1,0]=4 19507 B13R1.555 FCOCCSc1ccccc1Br 34a_200000230852_100015361967 [0,2,0,0,0,0|1,1,0]=4 19508 B13R1.555 FCOCCSc1ccccc1Br 7a_200000230852_100015361967 [0,2,0,0,0,0|1,1,0]=4 19509 B13R1.555 FCOCCSc1ccccc1Cl 34a_200000230572_100015361967 [0,2,0,0,0,0|1,0,0]=3 19510 B13R1.555 FCOCCSc1ccccc1Cl 7a_200000230572_100015361967 [0,2,0,0,0,0|1,0,0]=3 19511 B13R1.555 FCOCCSc1ccccc1F 34a_200000230732_100015361967 [0,2,0,0,0,0|1,1,0]=4 19512 B13R1.555 FCOCCSc1ccccc1F 7a_200000230732_100015361967 [0,2,0,0,0,0|1,1,0]=4 19513 B13R1.555 FCSCCCc1ccccc1Br 62a_100015361967_200011713681 [0,2,0,0,0,0|1,1,0]=4 19514 B13R1.555 FCSCCCc1ccccc1Br 62a_200011713681_100015361967 [0,2,0,0,0,0|1,1,0]=4 19515 B13R1.555 FCSCCOc1ccccc1Br 62a_100000695877_100015361967 [0,2,0,0,0,0|1,1,0]=4 19516 B13R1.555 FCSCCOc1ccccc1Br 62a_100015361967_100000695877 [0,2,0,0,0,0|1,1,0]=4 19517 B13R1.555 FCSCCOc1ccccc1F 62a_100000183290_100015361967 [0,2,0,0,0,0|1,1,0]=4 19518 B13R1.555 FCSCCOc1ccccc1F 62a_100015361967_100000183290 [0,2,0,0,0,0|1,1,0]=4 19519 B13R1.555 Fc1ccccc1CCOCCBr 34a_100000211926_100000720011 [0,2,0,0,0,0|1,1,0]=4 19520 B13R1.555 Fc1ccccc1COCCCBr 34a_100011217188_100000211605 [0,2,0,0,0,0|1,1,0]=4 19521 B13R1.555 Fc1ccccc1COCCCCl 34a_100000230001_100000211605 [0,2,0,0,0,0|1,1,0]=4 19522 B13R1.555 N#CCCCOc1ccccc1Cl 7a_100000210172_100000687738 [0,2,0,0,0,0|1,0,1]=4 19523 B13R1.555 N#CCCCSc1ccccc1Cl 62a_100000687738_100000764095 [0,2,0,0,0,0|1,0,1]=4 19524 B13R1.555 N#CCCCSc1ccccc1Cl 62a_100000764095_100000687738 [0,2,0,0,0,0|1,0,1]=4 19525 B13R1.555 N#CCCNCc1ccccc1Cl 2230a_100000174879_100011215226 [0,2,0,0,0,0|1,0,1]=4 19526 B13R1.555 N#CCCNCc1ccccc1Cl 270004a_100000720768_100000210073 [0,2,0,0,0,0|1,0,1]=4 19527 B13R1.555 N#CCCOCc1ccccc1Cl 7a_100000210847_100000184422 [0,2,0,0,0,0|1,0,1]=4 19528 B13R1.555 N#CCCSCc1ccccc1Cl 62a_100000187162_100011215226 [0,2,0,0,0,0|1,0,1]=4 19529 B13R1.555 N#CCCSCc1ccccc1Cl 62a_100011215226_100000187162 [0,2,0,0,0,0|1,0,1]=4 19530 B13R1.555 N#CCNCCc1ccccc1Br 2230a_100000747383_100011215382 [0,2,0,0,0,0|0,1,0]=3 19531 B13R1.555 N#CCNCCc1ccccc1Cl 2230a_100011207228_100011215382 [0,2,0,0,0,0|0,0,0]=2 19532 B13R1.555 N#CCNCCc1ccccc1F 2230a_100000185272_100011215382 [0,2,0,0,0,0|0,1,0]=3 19533 B13R1.555 N#CCNCCn1ccccc1=O 2230a_100000687133_100011215382 [0,2,0,0,0,0|2,0,0]=4 19534 B13R1.555 N#CCOCCc1ccccc1Br 7a_100000731337_100011215382 [0,2,0,0,0,0|1,1,0]=4 19535 B13R1.555 N#CCOCCc1ccccc1Cl 7a_100011215284_100011215382 [0,2,0,0,0,0|1,0,0]=3 19536 B13R1.555 N#CCOCCc1ccccc1F 7a_100000753711_100011215382 [0,2,0,0,0,0|1,1,0]=4 19537 B13R1.555 N#CCOCCc1ccccc1I 7a_100010255290_100011215382 [0,2,0,0,0,0|1,1,0]=4 19538 B13R1.555 N#CCSCCc1ccccc1Br 62a_100011215382_100012161201 [0,2,0,0,0,0|1,1,0]=4 19539 B13R1.555 N#CCSCCc1ccccc1Br 62a_100012161201_100011215382 [0,2,0,0,0,0|1,1,0]=4 19540 B13R1.555 N#CCSCCc1ccccc1Cl 62a_100011215382_100011713703 [0,2,0,0,0,0|1,0,0]=3 19541 B13R1.555 N#CCSCCc1ccccc1Cl 62a_100011713703_100011215382 [0,2,0,0,0,0|1,0,0]=3 19542 B13R1.555 N#CCSCCc1ccccc1F 62a_100011215382_100011713696 [0,2,0,0,0,0|1,1,0]=4 19543 B13R1.555 N#CCSCCc1ccccc1F 62a_100011713696_100011215382 [0,2,0,0,0,0|1,1,0]=4 19544 B13R1.555 N#CCSCCc1ccccc1O 62a_100000722297_100011215382 [0,2,0,0,0,0|2,0,0]=4 19545 B13R1.555 N#CCSCCc1ccccc1O 62a_100011215382_100000722297 [0,2,0,0,0,0|2,0,0]=4 19546 B13R1.555 N#CSCCSc1ccccc1Cl 62a_100000034367_100000764095 [0,2,0,0,0,0|1,0,1]=4 19547 B13R1.555 N#CSCCSc1ccccc1Cl 62a_100000764095_100000034367 [0,2,0,0,0,0|1,0,1]=4 19548 B13R1.555 N#CSCSCc1ccccc1Cl 62a_100000187162_100000211825 [0,2,0,0,0,0|1,0,1]=4 19549 B13R1.555 N#CSCSCc1ccccc1Cl 62a_100000211825_100000187162 [0,2,0,0,0,0|1,0,1]=4 19550 B13R1.555 NCCCOCc1ccccc1Br 34a_100000182051_100000184730 [0,2,0,0,0,0|1,1,0]=4 19551 B13R1.555 NCCCOCc1ccccc1Cl 34a_100000182051_100000187162 [0,2,0,0,0,0|1,0,0]=3 19552 B13R1.555 NCCCOCc1ccccc1F 34a_100000182051_100000211605 [0,2,0,0,0,0|1,1,0]=4 19553 B13R1.555 NCCCOCc1ccccc1I 34a_100000182051_100011215278 [0,2,0,0,0,0|1,1,0]=4 19554 B13R1.555 NCCCOCc1cccnc1Cl 34a_100000182051_100000045678 [0,2,0,0,0,0|2,0,0]=4 19555 B13R1.555 NCCOCCc1ccccc1Br 34a_100000210304_100012161201 [0,2,0,0,0,0|1,1,0]=4 19556 B13R1.555 NCCOCCc1ccccc1Cl 34a_100000210304_100011713703 [0,2,0,0,0,0|1,0,0]=3 19557 B13R1.555 NCCOCCc1ccccc1F 34a_100000210304_100000720011 [0,2,0,0,0,0|1,1,0]=4 19558 B13R1.555 NCCOCCc1ccccc1O 34a_100000210304_100000722297 [0,2,0,0,0,0|2,0,0]=4 19559 B13R1.555 NOCCOCc1ccccc1Cl 34a_100000700252_100000187162 [0,2,0,0,0,0|2,0,0]=4 19560 B13R1.555 Nc1ccccc1CCOCC=O 34a_100011215289_200009817547 [0,2,0,0,0,0|2,0,0]=4 19561 B13R1.555 Nc1ccccc1CCOCCF 34a_100011215289_100011217306 [0,2,0,0,0,0|2,0,0]=4 19562 B13R1.555 Nc1ccccc1CCOCCO 34a_100011215289_100000211926 [0,2,0,0,0,0|2,0,0]=4 19563 B13R1.555 Nc1ccccc1COCCCF 34a_100000212039_100011934791 [0,2,0,0,0,0|2,0,0]=4 19564 B13R1.555 Nc1ccccc1COCCCO 34a_100000212039_100000230001 [0,2,0,0,0,0|2,0,0]=4 19565 B13R1.555 Nc1ccccc1NCCOCF 34a_100000683943_100015361967 [0,2,0,0,0,0|2,0,0]=4 19566 B13R1.555 Nc1ccccc1OCCCCF 34a_100000185747_100000729493 [0,2,0,0,0,0|2,0,0]=4 19567 B13R1.555 Nc1ccccc1OCCCCF 7a_100000185747_100000729493 [0,2,0,0,0,0|2,0,0]=4 19568 B13R1.555 Nc1ccccc1OCCCCO 34a_100000185747_100011216708 [0,2,0,0,0,0|2,0,0]=4 19569 B13R1.555 Nc1ccccc1OCCCCO 7a_100000185747_100000210776 [0,2,0,0,0,0|2,0,0]=4 19570 B13R1.555 Nc1ccccc1OCCOCF 34a_100132302172_100015361967 [0,2,0,0,0,0|2,0,0]=4 19571 B13R1.555 Nc1ccccc1SCCCCF 62a_100000210017_100000729493 [0,2,0,0,0,0|2,0,0]=4 19572 B13R1.555 Nc1ccccc1SCCCCF 62a_100000729493_100000210017 [0,2,0,0,0,0|2,0,0]=4 19573 B13R1.555 Nc1ccccc1SCCCCO 62a_100000210017_100000210776 [0,2,0,0,0,0|2,0,0]=4 19574 B13R1.555 Nc1ccccc1SCCCCO 62a_100000210776_100000210017 [0,2,0,0,0,0|2,0,0]=4 19575 B13R1.555 O=CCCCOc1ccccc1Cl 7a_100000210172_200011292268 [0,2,0,0,0,0|1,0,1]=4 19576 B13R1.555 O=CCCCSc1ccccc1Cl 62a_100000764095_200011292268 [0,2,0,0,0,0|1,0,1]=4 19577 B13R1.555 O=CCCCSc1ccccc1Cl 62a_200011292268_100000764095 [0,2,0,0,0,0|1,0,1]=4 19578 B13R1.555 O=CCNCCc1ccccc1Br 2230a_100000747383_200015260668 [0,2,0,0,0,0|0,1,0]=3 19579 B13R1.555 O=CCNCCc1ccccc1Br 34a_100000747383_200009817547 [0,2,0,0,0,0|0,1,0]=3 19580 B13R1.555 O=CCNCCc1ccccc1Cl 2230a_100011207228_200015260668 [0,2,0,0,0,0|0,0,0]=2 19581 B13R1.555 O=CCNCCc1ccccc1Cl 34a_100011207228_200009817547 [0,2,0,0,0,0|0,0,0]=2 19582 B13R1.555 O=CCNCCc1ccccc1F 2230a_100000185272_200015260668 [0,2,0,0,0,0|0,1,0]=3 19583 B13R1.555 O=CCNCCc1ccccc1F 34a_100000185272_200009817547 [0,2,0,0,0,0|0,1,0]=3 19584 B13R1.555 O=CCNCCc1ccccc1O 34a_100011207237_200009817547 [0,2,0,0,0,0|1,0,0]=3 19585 B13R1.555 O=CCNCCn1ccccc1=O 2230a_100000687133_200015260668 [0,2,0,0,0,0|2,0,0]=4 19586 B13R1.555 O=CCOCCc1ccccc1Br 34a_100000731337_200009817547 [0,2,0,0,0,0|1,1,0]=4 19587 B13R1.555 O=CCOCCc1ccccc1Br 7a_100000731337_200015260668 [0,2,0,0,0,0|1,1,0]=4 19588 B13R1.555 O=CCOCCc1ccccc1Cl 34a_100011215284_200009817547 [0,2,0,0,0,0|1,0,0]=3 19589 B13R1.555 O=CCOCCc1ccccc1Cl 7a_100011215284_200015260668 [0,2,0,0,0,0|1,0,0]=3 19590 B13R1.555 O=CCOCCc1ccccc1F 34a_100000753711_200009817547 [0,2,0,0,0,0|1,1,0]=4 19591 B13R1.555 O=CCOCCc1ccccc1F 7a_100000753711_200015260668 [0,2,0,0,0,0|1,1,0]=4 19592 B13R1.555 O=CCOCCc1ccccc1I 34a_100010255290_200009817547 [0,2,0,0,0,0|1,1,0]=4 19593 B13R1.555 O=CCOCCc1ccccc1I 7a_100010255290_200015260668 [0,2,0,0,0,0|1,1,0]=4 19594 B13R1.555 O=CCSCCc1ccccc1Br 62a_100012161201_200015260668 [0,2,0,0,0,0|1,1,0]=4 19595 B13R1.555 O=CCSCCc1ccccc1Br 62a_200015260668_100012161201 [0,2,0,0,0,0|1,1,0]=4 19596 B13R1.555 O=CCSCCc1ccccc1Cl 62a_100011713703_200015260668 [0,2,0,0,0,0|1,0,0]=3 19597 B13R1.555 O=CCSCCc1ccccc1Cl 62a_200015260668_100011713703 [0,2,0,0,0,0|1,0,0]=3 19598 B13R1.555 O=CCSCCc1ccccc1F 62a_100011713696_200015260668 [0,2,0,0,0,0|1,1,0]=4 19599 B13R1.555 O=CCSCCc1ccccc1F 62a_200015260668_100011713696 [0,2,0,0,0,0|1,1,0]=4 19600 B13R1.555 O=CCSCCc1ccccc1O 62a_100000722297_200015260668 [0,2,0,0,0,0|2,0,0]=4 19601 B13R1.555 O=CCSCCc1ccccc1O 62a_200015260668_100000722297 [0,2,0,0,0,0|2,0,0]=4 19602 B13R1.555 O=c1ccccn1CCNCCF 2230a_100000687133_100011217306 [0,2,0,0,0,0|2,0,0]=4 19603 B13R1.555 O=c1ccccn1CCNCCO 2230a_100000687133_100000211926 [0,2,0,0,0,0|2,0,0]=4 19604 B13R1.555 OCC#CCNc1ccccc1Cl 34a_100000185783_200000047223 [0,2,0,0,0,0|1,0,1]=4 19605 B13R1.555 OCC#CCOc1ccccc1Cl 34a_100000210172_200000047223 [0,2,0,0,0,0|1,0,1]=4 19606 B13R1.555 OCC#CCOc1ccccc1Cl 7a_100000210172_200000047223 [0,2,0,0,0,0|1,0,1]=4 19607 B13R1.555 OCC#CCSc1ccccc1Cl 62a_100000764095_200000047223 [0,2,0,0,0,0|1,0,1]=4 19608 B13R1.555 OCC#CCSc1ccccc1Cl 62a_200000047223_100000764095 [0,2,0,0,0,0|1,0,1]=4 19609 B13R1.555 OCCCCNc1ccccc1Br 34a_100000210017_100011216708 [0,2,0,0,0,0|1,1,0]=4 19610 B13R1.555 OCCCCNc1ccccc1Cl 34a_100000185783_100011216708 [0,2,0,0,0,0|1,0,0]=3 19611 B13R1.555 OCCCCNc1ccccc1F 34a_100000210422_100011216708 [0,2,0,0,0,0|1,1,0]=4 19612 B13R1.555 OCCCCNc1ccccc1I 34a_100000210053_100011216708 [0,2,0,0,0,0|1,1,0]=4 19613 B13R1.555 OCCCCNc1ccccc1O 34a_100000185747_100011216708 [0,2,0,0,0,0|2,0,0]=4 19614 B13R1.555 OCCCCOc1ccccc1Br 34a_100000181306_100011216708 [0,2,0,0,0,0|1,1,0]=4 19615 B13R1.555 OCCCCOc1ccccc1Br 7a_100000181306_100000210776 [0,2,0,0,0,0|1,1,0]=4 19616 B13R1.555 OCCCCOc1ccccc1Cl 34a_100000210172_100011216708 [0,2,0,0,0,0|1,0,0]=3 19617 B13R1.555 OCCCCOc1ccccc1Cl 7a_100000210172_100000210776 [0,2,0,0,0,0|1,0,0]=3 19618 B13R1.555 OCCCCOc1ccccc1F 34a_100000210171_100011216708 [0,2,0,0,0,0|1,1,0]=4 19619 B13R1.555 OCCCCOc1ccccc1F 7a_100000210171_100000210776 [0,2,0,0,0,0|1,1,0]=4 19620 B13R1.555 OCCCCOc1ccccc1I 34a_100000739446_100011216708 [0,2,0,0,0,0|1,1,0]=4 19621 B13R1.555 OCCCCOc1ccccc1I 7a_100000739446_100000210776 [0,2,0,0,0,0|1,1,0]=4 19622 B13R1.555 OCCCCOc1cccnc1Cl 34a_100000757616_100011216708 [0,2,0,0,0,0|2,0,0]=4 19623 B13R1.555 OCCCCOc1cccnc1Cl 7a_100000757616_100000210776 [0,2,0,0,0,0|2,0,0]=4 19624 B13R1.555 OCCCCOc1ccncc1Cl 34a_100011997054_100011216708 [0,2,0,0,0,0|2,0,0]=4 19625 B13R1.555 OCCCCOc1cnccc1Cl 34a_100011996695_100011216708 [0,2,0,0,0,0|2,0,0]=4 19626 B13R1.555 OCCCCOc1ncccc1Cl 34a_100011290957_100011216708 [0,2,0,0,0,0|2,0,0]=4 19627 B13R1.555 OCCCCSc1ccccc1Br 62a_100000210776_100000695589 [0,2,0,0,0,0|1,1,0]=4 19628 B13R1.555 OCCCCSc1ccccc1Br 62a_100000695589_100000210776 [0,2,0,0,0,0|1,1,0]=4 19629 B13R1.555 OCCCCSc1ccccc1Cl 62a_100000210776_100000764095 [0,2,0,0,0,0|1,0,0]=3 19630 B13R1.555 OCCCCSc1ccccc1Cl 62a_100000764095_100000210776 [0,2,0,0,0,0|1,0,0]=3 19631 B13R1.555 OCCCCSc1ccccc1F 62a_100000210776_100011215700 [0,2,0,0,0,0|1,1,0]=4 19632 B13R1.555 OCCCCSc1ccccc1F 62a_100011215700_100000210776 [0,2,0,0,0,0|1,1,0]=4 19633 B13R1.555 OCCCCSc1ccccc1O 62a_100000210776_100000739446 [0,2,0,0,0,0|2,0,0]=4 19634 B13R1.555 OCCCCSc1ccccc1O 62a_100000739446_100000210776 [0,2,0,0,0,0|2,0,0]=4 19635 B13R1.555 OCCCCSc1cccnc1Cl 62a_100000036424_100000210776 [0,2,0,0,0,0|2,0,0]=4 19636 B13R1.555 OCCCCSc1cccnc1Cl 62a_100000210776_100000036424 [0,2,0,0,0,0|2,0,0]=4 19637 B13R1.555 OCCCCSc1ccncc1Cl 62a_100000210776_100000708259 [0,2,0,0,0,0|2,0,0]=4 19638 B13R1.555 OCCCCSc1ccncc1Cl 62a_100000708259_100000210776 [0,2,0,0,0,0|2,0,0]=4 19639 B13R1.555 OCCCCSc1cnccc1Cl 62a_100000210776_100009995489 [0,2,0,0,0,0|2,0,0]=4 19640 B13R1.555 OCCCCSc1cnccc1Cl 62a_100009995489_100000210776 [0,2,0,0,0,0|2,0,0]=4 19641 B13R1.555 OCCCCSc1ncccc1Cl 62a_100000210776_100011356963 [0,2,0,0,0,0|2,0,0]=4 19642 B13R1.555 OCCCCSc1ncccc1Cl 62a_100011356963_100000210776 [0,2,0,0,0,0|2,0,0]=4 19643 B13R1.555 OCCCNCc1ccccc1Br 207a_100000182051_100000211189 [0,2,0,0,0,0|1,1,0]=4 19644 B13R1.555 OCCCNCc1ccccc1Br 2230a_100000689332_100000230001 [0,2,0,0,0,0|1,1,0]=4 19645 B13R1.555 OCCCNCc1ccccc1Br 270004a_100000182051_100000211189 [0,2,0,0,0,0|1,1,0]=4 19646 B13R1.555 OCCCNCc1ccccc1Br 34a_100000689332_100000230001 [0,2,0,0,0,0|1,1,0]=4 19647 B13R1.555 OCCCNCc1ccccc1Cl 207a_100000182051_100000210073 [0,2,0,0,0,0|1,0,0]=3 19648 B13R1.555 OCCCNCc1ccccc1Cl 2230a_100000174879_100000230001 [0,2,0,0,0,0|1,0,0]=3 19649 B13R1.555 OCCCNCc1ccccc1Cl 270004a_100000182051_100000210073 [0,2,0,0,0,0|1,0,0]=3 19650 B13R1.555 OCCCNCc1ccccc1Cl 34a_100000174879_100000230001 [0,2,0,0,0,0|1,0,0]=3 19651 B13R1.555 OCCCNCc1ccccc1F 207a_100000182051_100000210811 [0,2,0,0,0,0|1,1,0]=4 19652 B13R1.555 OCCCNCc1ccccc1F 270004a_100000182051_100000210811 [0,2,0,0,0,0|1,1,0]=4 19653 B13R1.555 OCCCNCc1ccccc1F 34a_100000174869_100000230001 [0,2,0,0,0,0|1,1,0]=4 19654 B13R1.555 OCCCNCc1ccccc1I 207a_100000182051_100000010305 [0,2,0,0,0,0|1,1,0]=4 19655 B13R1.555 OCCCNCc1ccccc1I 270004a_100000182051_100000010305 [0,2,0,0,0,0|1,1,0]=4 19656 B13R1.555 OCCCNCc1ccccc1O 34a_100000185550_100000230001 [0,2,0,0,0,0|2,0,0]=4 19657 B13R1.555 OCCCNCc1cccnc1Cl 2230a_100015189234_100000230001 [0,2,0,0,0,0|2,0,0]=4 19658 B13R1.555 OCCCNCc1cccnc1Cl 34a_100015189234_100000230001 [0,2,0,0,0,0|2,0,0]=4 19659 B13R1.555 OCCCNCc1ccncc1Cl 207a_100000182051_100011934409 [0,2,0,0,0,0|2,0,0]=4 19660 B13R1.555 OCCCNCc1ccncc1Cl 270004a_100000182051_100011934409 [0,2,0,0,0,0|2,0,0]=4 19661 B13R1.555 OCCCNCc1cnccc1Cl 270004a_100000182051_100000050567 [0,2,0,0,0,0|2,0,0]=4 19662 B13R1.555 OCCCNCc1ncccc1Cl 207a_100000182051_100012001307 [0,2,0,0,0,0|2,0,0]=4 19663 B13R1.555 OCCCNCc1ncccc1Cl 2230a_100015189233_100000230001 [0,2,0,0,0,0|2,0,0]=4 19664 B13R1.555 OCCCNCc1ncccc1Cl 270004a_100000182051_100012001307 [0,2,0,0,0,0|2,0,0]=4 19665 B13R1.555 OCCCOCc1ccccc1Br 34a_100000756307_100000230001 [0,2,0,0,0,0|1,1,0]=4 19666 B13R1.555 OCCCOCc1ccccc1Br 7a_100000756307_100011215043 [0,2,0,0,0,0|1,1,0]=4 19667 B13R1.555 OCCCOCc1ccccc1Cl 34a_100000210847_100000230001 [0,2,0,0,0,0|1,0,0]=3 19668 B13R1.555 OCCCOCc1ccccc1Cl 7a_100000210847_100011215043 [0,2,0,0,0,0|1,0,0]=3 19669 B13R1.555 OCCCOCc1ccccc1F 34a_100000211962_100000230001 [0,2,0,0,0,0|1,1,0]=4 19670 B13R1.555 OCCCOCc1ccccc1F 7a_100000211962_100011215043 [0,2,0,0,0,0|1,1,0]=4 19671 B13R1.555 OCCCOCc1ccccc1I 34a_100000187465_100000230001 [0,2,0,0,0,0|1,1,0]=4 19672 B13R1.555 OCCCOCc1ccccc1I 7a_100000187465_100011215043 [0,2,0,0,0,0|1,1,0]=4 19673 B13R1.555 OCCCOCc1cccnc1Cl 34a_100000748726_100000230001 [0,2,0,0,0,0|2,0,0]=4 19674 B13R1.555 OCCCOCc1cccnc1Cl 7a_100000748726_100011215043 [0,2,0,0,0,0|2,0,0]=4 19675 B13R1.555 OCCCOCc1cnccc1Cl 34a_100000117392_100000230001 [0,2,0,0,0,0|2,0,0]=4 19676 B13R1.555 OCCCOCc1ncccc1Cl 34a_100012002383_100000230001 [0,2,0,0,0,0|2,0,0]=4 19677 B13R1.555 OCCCSCc1ccccc1Br 62a_100000184730_100011215043 [0,2,0,0,0,0|1,1,0]=4 19678 B13R1.555 OCCCSCc1ccccc1Br 62a_100011215043_100000184730 [0,2,0,0,0,0|1,1,0]=4 19679 B13R1.555 OCCCSCc1ccccc1Cl 62a_100000187162_100011215043 [0,2,0,0,0,0|1,0,0]=3 19680 B13R1.555 OCCCSCc1ccccc1Cl 62a_100011215043_100000187162 [0,2,0,0,0,0|1,0,0]=3 19681 B13R1.555 OCCCSCc1ccccc1F 62a_100000211605_100011215043 [0,2,0,0,0,0|1,1,0]=4 19682 B13R1.555 OCCCSCc1ccccc1F 62a_100011215043_100000211605 [0,2,0,0,0,0|1,1,0]=4 19683 B13R1.555 OCCCSCc1ccccc1I 62a_100011215043_100011216222 [0,2,0,0,0,0|1,1,0]=4 19684 B13R1.555 OCCCSCc1ccccc1I 62a_100011216222_100011215043 [0,2,0,0,0,0|1,1,0]=4 19685 B13R1.555 OCCCSCc1cccnc1Cl 62a_100000045678_100011215043 [0,2,0,0,0,0|2,0,0]=4 19686 B13R1.555 OCCCSCc1cccnc1Cl 62a_100011215043_100000045678 [0,2,0,0,0,0|2,0,0]=4 19687 B13R1.555 OCCCSCc1ccncc1Cl 62a_100000763264_100011215043 [0,2,0,0,0,0|2,0,0]=4 19688 B13R1.555 OCCCSCc1ccncc1Cl 62a_100011215043_100000763264 [0,2,0,0,0,0|2,0,0]=4 19689 B13R1.555 OCCCSCc1ncccc1Cl 62a_100000099807_100011215043 [0,2,0,0,0,0|2,0,0]=4 19690 B13R1.555 OCCCSCc1ncccc1Cl 62a_100011215043_100000099807 [0,2,0,0,0,0|2,0,0]=4 19691 B13R1.555 OCCNCCc1ccccc1Br 2230a_100000747383_100000211926 [0,2,0,0,0,0|0,1,0]=3 19692 B13R1.555 OCCNCCc1ccccc1Br 2230a_100016997473_100012161201 [0,2,0,0,0,0|0,1,0]=3 19693 B13R1.555 OCCNCCc1ccccc1Br 34a_100000747383_100000211926 [0,2,0,0,0,0|0,1,0]=3 19694 B13R1.555 OCCNCCc1ccccc1Br 34a_100016990907_100012161201 [0,2,0,0,0,0|0,1,0]=3 19695 B13R1.555 OCCNCCc1ccccc1Cl 2230a_100011207228_100000211926 [0,2,0,0,0,0|0,0,0]=2 19696 B13R1.555 OCCNCCc1ccccc1Cl 2230a_100016997473_100011713703 [0,2,0,0,0,0|0,0,0]=2 19697 B13R1.555 OCCNCCc1ccccc1Cl 270004a_100000210304_200011713468 [0,2,0,0,0,0|0,0,0]=2 19698 B13R1.555 OCCNCCc1ccccc1Cl 34a_100011207228_100000211926 [0,2,0,0,0,0|0,0,0]=2 19699 B13R1.555 OCCNCCc1ccccc1Cl 34a_100016990907_100011713703 [0,2,0,0,0,0|0,0,0]=2 19700 B13R1.555 OCCNCCc1ccccc1F 2230a_100000185272_100000211926 [0,2,0,0,0,0|0,1,0]=3 19701 B13R1.555 OCCNCCc1ccccc1F 2230a_100016997473_100011713696 [0,2,0,0,0,0|0,1,0]=3 19702 B13R1.555 OCCNCCc1ccccc1F 34a_100000185272_100000211926 [0,2,0,0,0,0|0,1,0]=3 19703 B13R1.555 OCCNCCc1ccccc1F 34a_100016990907_100000720011 [0,2,0,0,0,0|0,1,0]=3 19704 B13R1.555 OCCNCCc1ccccc1O 34a_100011207237_100000211926 [0,2,0,0,0,0|1,0,0]=3 19705 B13R1.555 OCCNCCc1ccccc1O 34a_100016990907_100000722297 [0,2,0,0,0,0|1,0,0]=3 19706 B13R1.555 OCCNN=Cc1ccccc1Cl 4a_100000210001_100000210073 [0,2,0,0,0,0|1,0,1]=4 19707 B13R1.555 OCCOCCc1ccccc1Br 34a_100000731337_100000211926 [0,2,0,0,0,0|1,1,0]=4 19708 B13R1.555 OCCOCCc1ccccc1Br 7a_100000731337_100000211926 [0,2,0,0,0,0|1,1,0]=4 19709 B13R1.555 OCCOCCc1ccccc1Cl 34a_100011215284_100000211926 [0,2,0,0,0,0|1,0,0]=3 19710 B13R1.555 OCCOCCc1ccccc1Cl 7a_100011215284_100000211926 [0,2,0,0,0,0|1,0,0]=3 19711 B13R1.555 OCCOCCc1ccccc1F 34a_100000753711_100000211926 [0,2,0,0,0,0|1,1,0]=4 19712 B13R1.555 OCCOCCc1ccccc1F 7a_100000753711_100000211926 [0,2,0,0,0,0|1,1,0]=4 19713 B13R1.555 OCCOCCc1ccccc1I 34a_100010255290_100000211926 [0,2,0,0,0,0|1,1,0]=4 19714 B13R1.555 OCCOCCc1ccccc1I 7a_100010255290_100000211926 [0,2,0,0,0,0|1,1,0]=4 19715 B13R1.555 OCCSCCc1ccccc1Br 62a_100000211926_100012161201 [0,2,0,0,0,0|1,1,0]=4 19716 B13R1.555 OCCSCCc1ccccc1Br 62a_100012161201_100000211926 [0,2,0,0,0,0|1,1,0]=4 19717 B13R1.555 OCCSCCc1ccccc1Cl 62a_100000211926_100011713703 [0,2,0,0,0,0|1,0,0]=3 19718 B13R1.555 OCCSCCc1ccccc1Cl 62a_100011713703_100000211926 [0,2,0,0,0,0|1,0,0]=3 19719 B13R1.555 OCCSCCc1ccccc1F 62a_100000211926_100011713696 [0,2,0,0,0,0|1,1,0]=4 19720 B13R1.555 OCCSCCc1ccccc1F 62a_100011713696_100000211926 [0,2,0,0,0,0|1,1,0]=4 19721 B13R1.555 OCCSCCc1ccccc1O 62a_100000211926_100000722297 [0,2,0,0,0,0|2,0,0]=4 19722 B13R1.555 OCCSCCc1ccccc1O 62a_100000722297_100000211926 [0,2,0,0,0,0|2,0,0]=4 19723 B13R1.555 Oc1ccccc1CCNCCF 34a_100000724931_100000722297 [0,2,0,0,0,0|1,0,0]=3 19724 B13R1.555 Oc1ccccc1CCNCCF 34a_100011207237_100011217306 [0,2,0,0,0,0|1,0,0]=3 19725 B13R1.555 Oc1ccccc1CCOCCBr 34a_100000211926_100000722297 [0,2,0,0,0,0|2,0,0]=4 19726 B13R1.555 Oc1ccccc1CCSCCF 62a_100000722297_100011217306 [0,2,0,0,0,0|2,0,0]=4 19727 B13R1.555 Oc1ccccc1CCSCCF 62a_100011217306_100000722297 [0,2,0,0,0,0|2,0,0]=4 19728 B13R1.555 Oc1ccccc1CNCCCF 34a_100000185550_100011934791 [0,2,0,0,0,0|2,0,0]=4 19729 B13R1.555 Oc1ccccc1NCCCCF 34a_100000185747_100000729493 [0,2,0,0,0,0|2,0,0]=4 19730 B13R1.555 Oc1ccccc1SCCCCF 62a_100000729493_100000739446 [0,2,0,0,0,0|2,0,0]=4 19731 B13R1.555 Oc1ccccc1SCCCCF 62a_100000739446_100000729493 [0,2,0,0,0,0|2,0,0]=4 19732 B13R1.555 [13CH3]NCCCOc1ccccc1F 2230a_100000707858_200025704644 [0,2,0,0,0,0|0,1,0]=3 19733 B13R1.555 [13CH3]NCCCOc1ccccc1F 34a_100000707858_200025704644 [0,2,0,0,0,0|0,1,0]=3 19734 B13R1.555 [13CH3]NCCOCc1ccccc1Cl 2230a_100000745786_200025704644 [0,2,0,0,0,0|0,0,0]=2 19735 B13R1.555 [13CH3]NCCOCc1ccccc1Cl 34a_100000745786_200025704644 [0,2,0,0,0,0|0,0,0]=2 19736 B13R1.555 [13CH3]NCCSCc1ccccc1Cl 2230a_100011219180_200025704644 [0,2,0,0,0,0|0,0,0]=2 19737 B13R1.555 [13CH3]NCCSCc1ccccc1Cl 34a_100011219180_200025704644 [0,2,0,0,0,0|0,0,0]=2 19738 B13R1.555 [13CH3]NCCSCc1ccccc1Cl 7a_100011219180_200025704644 [0,2,0,0,0,0|0,0,0]=2 19739 B13R1.555 [13CH3]OCCCCc1ccccc1Br 34a_100012092669_200025704644 [0,2,0,0,0,0|1,1,0]=4 19740 B13R1.555 [13CH3]OCCCCc1ccccc1Br 7a_100012092669_200025704644 [0,2,0,0,0,0|1,1,0]=4 19741 B13R1.555 [13CH3]OCCCOc1ccccc1Cl 34a_100000230521_200025704644 [0,2,0,0,0,0|1,0,0]=3 19742 B13R1.555 [13CH3]OCCCOc1ccccc1Cl 7a_100000230521_200025704644 [0,2,0,0,0,0|1,0,0]=3 19743 B13R1.555 [13CH3]OCCNCc1ccccc1Br 34a_106744479749_200025704644 [0,2,0,0,0,0|1,1,0]=4 19744 B13R1.555 [13CH3]OCCNCc1ccccc1Cl 34a_100015187164_200025704644 [0,2,0,0,0,0|1,0,0]=3 19745 B13R1.555 [13CH3]SCCCOc1ccccc1Br 62a_200011259276_200025704644 [0,2,0,0,0,0|1,1,0]=4 19746 B13R1.555 [13CH3]SCCCOc1ccccc1Br 62a_200025704644_200011259276 [0,2,0,0,0,0|1,1,0]=4 19747 B13R1.555 [13CH3]SCCCOc1ccccc1F 62a_100011203253_200025704644 [0,2,0,0,0,0|1,1,0]=4 19748 B13R1.555 [13CH3]SCCCOc1ccccc1F 62a_200025704644_100011203253 [0,2,0,0,0,0|1,1,0]=4 19749 B13R1.555 [13CH3]SCCCSc1ccccc1Cl 62a_100000750589_200025704644 [0,2,0,0,0,0|1,0,0]=3 19750 B13R1.555 [13CH3]SCCCSc1ccccc1Cl 62a_200025704644_100000750589 [0,2,0,0,0,0|1,0,0]=3 19751 B13R1.656 C#CCCNc1cc(ccc1Cl)Br 34a_100000750497_100000688953 [0,2,0,0,0,0|1,0,1]=4 19752 B13R1.656 C#CCCNc1cc(ccc1Cl)C 34a_100011215360_100000688953 [0,2,0,0,0,0|1,0,1]=4 19753 B13R1.656 C#CCCNc1cc(ccc1Cl)Cl 34a_100000184485_100000688953 [0,2,0,0,0,0|1,0,1]=4 19754 B13R1.656 C#CCCNc1cc(ccc1Cl)F 34a_100000751338_100000688953 [0,2,0,0,0,0|1,0,1]=4 19755 B13R1.656 C#CCCNc1cc(ccc1Cl)I 34a_200000761891_100000688953 [0,2,0,0,0,0|1,0,1]=4 19756 B13R1.656 C#CCCNc1cc(ccc1Cl)O 34a_100011934297_100000688953 [0,2,0,0,0,0|1,0,1]=4 19757 B13R1.656 C#CCCOc1cc(ccc1Cl)Br 34a_100000738945_100000688953 [0,2,0,0,0,0|1,0,1]=4 19758 B13R1.656 C#CCCOc1cc(ccc1Cl)Br 7a_100000738945_100000688953 [0,2,0,0,0,0|1,0,1]=4 19759 B13R1.656 C#CCCOc1cc(ccc1Cl)C 34a_100000211493_100000688953 [0,2,0,0,0,0|1,0,1]=4 19760 B13R1.656 C#CCCOc1cc(ccc1Cl)C 7a_100000211493_100000688953 [0,2,0,0,0,0|1,0,1]=4 19761 B13R1.656 C#CCCOc1cc(ccc1Cl)Cl 34a_100000211422_100000688953 [0,2,0,0,0,0|1,0,1]=4 19762 B13R1.656 C#CCCOc1cc(ccc1Cl)Cl 7a_100000211422_100000688953 [0,2,0,0,0,0|1,0,1]=4 19763 B13R1.656 C#CCCOc1cc(ccc1Cl)F 34a_100000692107_100000688953 [0,2,0,0,0,0|1,0,1]=4 19764 B13R1.656 C#CCCOc1cc(ccc1Cl)F 7a_100000692107_100000688953 [0,2,0,0,0,0|1,0,1]=4 19765 B13R1.656 C#CCCOc1cc(ccc1Cl)I 34a_100011356854_100000688953 [0,2,0,0,0,0|1,0,1]=4 19766 B13R1.656 C#CCCOc1cc(ccc1Cl)I 7a_100011356854_100000688953 [0,2,0,0,0,0|1,0,1]=4 19767 B13R1.656 C#CCCOc1cc(ccc1Cl)N 34a_100011934209_100000688953 [0,2,0,0,0,0|1,0,1]=4 19768 B13R1.656 C#CCCSc1cc(ccc1Cl)Br 62a_100000688953_100011772130 [0,2,0,0,0,0|1,0,1]=4 19769 B13R1.656 C#CCCSc1cc(ccc1Cl)Br 62a_100011772130_100000688953 [0,2,0,0,0,0|1,0,1]=4 19770 B13R1.656 C#CCCSc1cc(ccc1Cl)C 62a_100000688953_100012356289 [0,2,0,0,0,0|1,0,1]=4 19771 B13R1.656 C#CCCSc1cc(ccc1Cl)C 62a_100012356289_100000688953 [0,2,0,0,0,0|1,0,1]=4 19772 B13R1.656 C#CCCSc1cc(ccc1Cl)Cl 62a_100000688953_100000707729 [0,2,0,0,0,0|1,0,1]=4 19773 B13R1.656 C#CCCSc1cc(ccc1Cl)Cl 62a_100000707729_100000688953 [0,2,0,0,0,0|1,0,1]=4 19774 B13R1.656 C#CCCSc1cc(ccc1Cl)F 62a_100000688953_100011217299 [0,2,0,0,0,0|1,0,1]=4 19775 B13R1.656 C#CCCSc1cc(ccc1Cl)F 62a_100011217299_100000688953 [0,2,0,0,0,0|1,0,1]=4 19776 B13R1.656 C#CCCSc1cc(ccc1Cl)N 62a_100000688953_100012360549 [0,2,0,0,0,0|1,0,1]=4 19777 B13R1.656 C#CCCSc1cc(ccc1Cl)N 62a_100012360549_100000688953 [0,2,0,0,0,0|1,0,1]=4 19778 B13R1.656 C#CCCSc1cc(ccc1Cl)O 62a_100000049588_100000688953 [0,2,0,0,0,0|1,0,1]=4 19779 B13R1.656 C#CCCSc1cc(ccc1Cl)O 62a_100000688953_100000049588 [0,2,0,0,0,0|1,0,1]=4 19780 B13R1.656 C#CCNCc1cc(ccc1Cl)Br 34a_100000212058_100000763347 [0,2,0,0,0,0|1,0,1]=4 19781 B13R1.656 C#CCNCc1cc(ccc1Cl)Br 34a_100025772652_100000184674 [0,2,0,0,0,0|1,0,1]=4 19782 B13R1.656 C#CCNCc1cc(ccc1Cl)C 2230a_100025705715_100000038162 [0,2,0,0,0,0|1,0,1]=4 19783 B13R1.656 C#CCNCc1cc(ccc1Cl)C 34a_100000212058_100009871730 [0,2,0,0,0,0|1,0,1]=4 19784 B13R1.656 C#CCNCc1cc(ccc1Cl)C 34a_100025705715_100000184674 [0,2,0,0,0,0|1,0,1]=4 19785 B13R1.656 C#CCNCc1cc(ccc1Cl)Cl 34a_100000212058_100000756322 [0,2,0,0,0,0|1,0,1]=4 19786 B13R1.656 C#CCNCc1cc(ccc1Cl)Cl 34a_100102946428_100000184674 [0,2,0,0,0,0|1,0,1]=4 19787 B13R1.656 C#CCNCc1cc(ccc1Cl)F 2230a_100011830483_100000038162 [0,2,0,0,0,0|1,0,1]=4 19788 B13R1.656 C#CCNCc1cc(ccc1Cl)F 34a_100000212058_100000709952 [0,2,0,0,0,0|1,0,1]=4 19789 B13R1.656 C#CCNCc1cc(ccc1Cl)F 34a_100011830483_100000184674 [0,2,0,0,0,0|1,0,1]=4 19790 B13R1.656 C#CCNCc1cc(ccc1Cl)I 34a_100000212058_100010188191 [0,2,0,0,0,0|1,0,1]=4 19791 B13R1.656 C#CCOCc1cc(ccc1Cl)Br 34a_100000210247_100000763347 [0,2,0,0,0,0|1,0,1]=4 19792 B13R1.656 C#CCOCc1cc(ccc1Cl)Br 34a_100011215897_100000184674 [0,2,0,0,0,0|1,0,1]=4 19793 B13R1.656 C#CCOCc1cc(ccc1Cl)Br 7a_100011215897_100000038162 [0,2,0,0,0,0|1,0,1]=4 19794 B13R1.656 C#CCOCc1cc(ccc1Cl)C 34a_100000210247_100009871730 [0,2,0,0,0,0|1,0,1]=4 19795 B13R1.656 C#CCOCc1cc(ccc1Cl)C 34a_100009878994_100000184674 [0,2,0,0,0,0|1,0,1]=4 19796 B13R1.656 C#CCOCc1cc(ccc1Cl)C 7a_100009878994_100000038162 [0,2,0,0,0,0|1,0,1]=4 19797 B13R1.656 C#CCOCc1cc(ccc1Cl)Cl 34a_100000210247_100000756322 [0,2,0,0,0,0|1,0,1]=4 19798 B13R1.656 C#CCOCc1cc(ccc1Cl)Cl 34a_100000698905_100000184674 [0,2,0,0,0,0|1,0,1]=4 19799 B13R1.656 C#CCOCc1cc(ccc1Cl)Cl 7a_100000698905_100000038162 [0,2,0,0,0,0|1,0,1]=4 19800 B13R1.656 C#CCOCc1cc(ccc1Cl)F 34a_100000210247_100000709952 [0,2,0,0,0,0|1,0,1]=4 19801 B13R1.656 C#CCOCc1cc(ccc1Cl)F 34a_100011218361_100000184674 [0,2,0,0,0,0|1,0,1]=4 19802 B13R1.656 C#CCOCc1cc(ccc1Cl)F 7a_100011218361_100000038162 [0,2,0,0,0,0|1,0,1]=4 19803 B13R1.656 C#CCOCc1cc(ccc1Cl)I 34a_100000210247_100010188191 [0,2,0,0,0,0|1,0,1]=4 19804 B13R1.656 C#CCOCc1cc(ccc1Cl)I 34a_100010128486_100000184674 [0,2,0,0,0,0|1,0,1]=4 19805 B13R1.656 C#CCOCc1cc(ccc1Cl)I 7a_100010128486_100000038162 [0,2,0,0,0,0|1,0,1]=4 19806 B13R1.656 C#CCOCc1cc(ccc1Cl)N 34a_100011273577_100000184674 [0,2,0,0,0,0|1,0,1]=4 19807 B13R1.656 C#CCSCc1cc(ccc1Cl)Br 62a_100000038162_100000763347 [0,2,0,0,0,0|1,0,1]=4 19808 B13R1.656 C#CCSCc1cc(ccc1Cl)C 62a_100000038162_100009871730 [0,2,0,0,0,0|1,0,1]=4 19809 B13R1.656 C#CCSCc1cc(ccc1Cl)Cl 62a_100000038162_100000756322 [0,2,0,0,0,0|1,0,1]=4 19810 B13R1.656 C#CCSCc1cc(ccc1Cl)F 62a_100000038162_100000709952 [0,2,0,0,0,0|1,0,1]=4 19811 B13R1.656 C#CCSCc1cc(ccc1Cl)I 62a_100000038162_100010188191 [0,2,0,0,0,0|1,0,1]=4 19812 B13R1.656 C/C=C/CNc1cc(ccc1Cl)Br 34a_100000750497_100102629194 [0,2,0,0,0,0|1,0,1]=4 19813 B13R1.656 C/C=C/CNc1cc(ccc1Cl)C 34a_100011215360_100102629194 [0,2,0,0,0,0|1,0,1]=4 19814 B13R1.656 C/C=C/CNc1cc(ccc1Cl)Cl 34a_100000184485_100102629194 [0,2,0,0,0,0|1,0,1]=4 19815 B13R1.656 C/C=C/CNc1cc(ccc1Cl)F 34a_100000751338_100102629194 [0,2,0,0,0,0|1,0,1]=4 19816 B13R1.656 C/C=C/CNc1cc(ccc1Cl)I 34a_200000761891_100102629194 [0,2,0,0,0,0|1,0,1]=4 19817 B13R1.656 C/C=C/CNc1cc(ccc1Cl)O 34a_100011934297_100102629194 [0,2,0,0,0,0|1,0,1]=4 19818 B13R1.656 C/C=C/COc1cc(ccc1Cl)Br 34a_100000738945_100102629194 [0,2,0,0,0,0|1,0,1]=4 19819 B13R1.656 C/C=C/COc1cc(ccc1Cl)Br 7a_100000738945_100102629194 [0,2,0,0,0,0|1,0,1]=4 19820 B13R1.656 C/C=C/COc1cc(ccc1Cl)C 34a_100000211493_100102629194 [0,2,0,0,0,0|1,0,1]=4 19821 B13R1.656 C/C=C/COc1cc(ccc1Cl)C 7a_100000211493_100102629194 [0,2,0,0,0,0|1,0,1]=4 19822 B13R1.656 C/C=C/COc1cc(ccc1Cl)Cl 34a_100000211422_100102629194 [0,2,0,0,0,0|1,0,1]=4 19823 B13R1.656 C/C=C/COc1cc(ccc1Cl)Cl 7a_100000211422_100102629194 [0,2,0,0,0,0|1,0,1]=4 19824 B13R1.656 C/C=C/COc1cc(ccc1Cl)F 34a_100000692107_100102629194 [0,2,0,0,0,0|1,0,1]=4 19825 B13R1.656 C/C=C/COc1cc(ccc1Cl)F 7a_100000692107_100102629194 [0,2,0,0,0,0|1,0,1]=4 19826 B13R1.656 C/C=C/COc1cc(ccc1Cl)I 34a_100011356854_100102629194 [0,2,0,0,0,0|1,0,1]=4 19827 B13R1.656 C/C=C/COc1cc(ccc1Cl)I 7a_100011356854_100102629194 [0,2,0,0,0,0|1,0,1]=4 19828 B13R1.656 C/C=C/COc1cc(ccc1Cl)N 34a_100011934209_100102629194 [0,2,0,0,0,0|1,0,1]=4 19829 B13R1.656 C/C=C/CSc1cc(ccc1Cl)Br 62a_100011772130_100102629194 [0,2,0,0,0,0|1,0,1]=4 19830 B13R1.656 C/C=C/CSc1cc(ccc1Cl)Br 62a_100102629194_100011772130 [0,2,0,0,0,0|1,0,1]=4 19831 B13R1.656 C/C=C/CSc1cc(ccc1Cl)C 62a_100012356289_100102629194 [0,2,0,0,0,0|1,0,1]=4 19832 B13R1.656 C/C=C/CSc1cc(ccc1Cl)C 62a_100102629194_100012356289 [0,2,0,0,0,0|1,0,1]=4 19833 B13R1.656 C/C=C/CSc1cc(ccc1Cl)Cl 62a_100000707729_100102629194 [0,2,0,0,0,0|1,0,1]=4 19834 B13R1.656 C/C=C/CSc1cc(ccc1Cl)Cl 62a_100102629194_100000707729 [0,2,0,0,0,0|1,0,1]=4 19835 B13R1.656 C/C=C/CSc1cc(ccc1Cl)F 62a_100011217299_100102629194 [0,2,0,0,0,0|1,0,1]=4 19836 B13R1.656 C/C=C/CSc1cc(ccc1Cl)F 62a_100102629194_100011217299 [0,2,0,0,0,0|1,0,1]=4 19837 B13R1.656 C/C=C/CSc1cc(ccc1Cl)N 62a_100012360549_100102629194 [0,2,0,0,0,0|1,0,1]=4 19838 B13R1.656 C/C=C/CSc1cc(ccc1Cl)N 62a_100102629194_100012360549 [0,2,0,0,0,0|1,0,1]=4 19839 B13R1.656 C/C=C/CSc1cc(ccc1Cl)O 62a_100000049588_100102629194 [0,2,0,0,0,0|1,0,1]=4 19840 B13R1.656 C/C=C/CSc1cc(ccc1Cl)O 62a_100102629194_100000049588 [0,2,0,0,0,0|1,0,1]=4 19841 B13R1.656 C=CCCNc1cc(ccc1Cl)Br 34a_100000750497_100000754431 [0,2,0,0,0,0|1,0,1]=4 19842 B13R1.656 C=CCCNc1cc(ccc1Cl)C 34a_100011215360_100000754431 [0,2,0,0,0,0|1,0,1]=4 19843 B13R1.656 C=CCCNc1cc(ccc1Cl)Cl 34a_100000184485_100000754431 [0,2,0,0,0,0|1,0,1]=4 19844 B13R1.656 C=CCCNc1cc(ccc1Cl)F 34a_100000751338_100000754431 [0,2,0,0,0,0|1,0,1]=4 19845 B13R1.656 C=CCCNc1cc(ccc1Cl)I 34a_200000761891_100000754431 [0,2,0,0,0,0|1,0,1]=4 19846 B13R1.656 C=CCCNc1cc(ccc1Cl)O 34a_100011934297_100000754431 [0,2,0,0,0,0|1,0,1]=4 19847 B13R1.656 C=CCCOc1cc(ccc1Cl)Br 34a_100000738945_100000754431 [0,2,0,0,0,0|1,0,1]=4 19848 B13R1.656 C=CCCOc1cc(ccc1Cl)Br 7a_100000738945_100000754431 [0,2,0,0,0,0|1,0,1]=4 19849 B13R1.656 C=CCCOc1cc(ccc1Cl)C 34a_100000211493_100000754431 [0,2,0,0,0,0|1,0,1]=4 19850 B13R1.656 C=CCCOc1cc(ccc1Cl)C 7a_100000211493_100000754431 [0,2,0,0,0,0|1,0,1]=4 19851 B13R1.656 C=CCCOc1cc(ccc1Cl)Cl 34a_100000211422_100000754431 [0,2,0,0,0,0|1,0,1]=4 19852 B13R1.656 C=CCCOc1cc(ccc1Cl)Cl 7a_100000211422_100000754431 [0,2,0,0,0,0|1,0,1]=4 19853 B13R1.656 C=CCCOc1cc(ccc1Cl)F 34a_100000692107_100000754431 [0,2,0,0,0,0|1,0,1]=4 19854 B13R1.656 C=CCCOc1cc(ccc1Cl)F 7a_100000692107_100000754431 [0,2,0,0,0,0|1,0,1]=4 19855 B13R1.656 C=CCCOc1cc(ccc1Cl)I 34a_100011356854_100000754431 [0,2,0,0,0,0|1,0,1]=4 19856 B13R1.656 C=CCCOc1cc(ccc1Cl)I 7a_100011356854_100000754431 [0,2,0,0,0,0|1,0,1]=4 19857 B13R1.656 C=CCCOc1cc(ccc1Cl)N 34a_100011934209_100000754431 [0,2,0,0,0,0|1,0,1]=4 19858 B13R1.656 C=CCCSc1cc(ccc1Cl)Br 62a_100000754431_100011772130 [0,2,0,0,0,0|1,0,1]=4 19859 B13R1.656 C=CCCSc1cc(ccc1Cl)Br 62a_100011772130_100000754431 [0,2,0,0,0,0|1,0,1]=4 19860 B13R1.656 C=CCCSc1cc(ccc1Cl)C 62a_100000754431_100012356289 [0,2,0,0,0,0|1,0,1]=4 19861 B13R1.656 C=CCCSc1cc(ccc1Cl)C 62a_100012356289_100000754431 [0,2,0,0,0,0|1,0,1]=4 19862 B13R1.656 C=CCCSc1cc(ccc1Cl)Cl 62a_100000707729_100000754431 [0,2,0,0,0,0|1,0,1]=4 19863 B13R1.656 C=CCCSc1cc(ccc1Cl)Cl 62a_100000754431_100000707729 [0,2,0,0,0,0|1,0,1]=4 19864 B13R1.656 C=CCCSc1cc(ccc1Cl)F 62a_100000754431_100011217299 [0,2,0,0,0,0|1,0,1]=4 19865 B13R1.656 C=CCCSc1cc(ccc1Cl)F 62a_100011217299_100000754431 [0,2,0,0,0,0|1,0,1]=4 19866 B13R1.656 C=CCCSc1cc(ccc1Cl)N 62a_100000754431_100012360549 [0,2,0,0,0,0|1,0,1]=4 19867 B13R1.656 C=CCCSc1cc(ccc1Cl)N 62a_100012360549_100000754431 [0,2,0,0,0,0|1,0,1]=4 19868 B13R1.656 C=CCCSc1cc(ccc1Cl)O 62a_100000049588_100000754431 [0,2,0,0,0,0|1,0,1]=4 19869 B13R1.656 C=CCCSc1cc(ccc1Cl)O 62a_100000754431_100000049588 [0,2,0,0,0,0|1,0,1]=4 19870 B13R1.656 C=CCNCc1cc(ccc1Cl)Br 2230a_100020586998_100000763347 [0,2,0,0,0,0|1,0,1]=4 19871 B13R1.656 C=CCNCc1cc(ccc1Cl)Br 270004a_100020586998_100000746309 [0,2,0,0,0,0|1,0,1]=4 19872 B13R1.656 C=CCNCc1cc(ccc1Cl)Br 34a_100025772652_100015514636 [0,2,0,0,0,0|1,0,1]=4 19873 B13R1.656 C=CCNCc1cc(ccc1Cl)C 2230a_100020586998_100009871730 [0,2,0,0,0,0|1,0,1]=4 19874 B13R1.656 C=CCNCc1cc(ccc1Cl)C 2230a_100025705715_100000210623 [0,2,0,0,0,0|1,0,1]=4 19875 B13R1.656 C=CCNCc1cc(ccc1Cl)C 270004a_100020586998_100011551332 [0,2,0,0,0,0|1,0,1]=4 19876 B13R1.656 C=CCNCc1cc(ccc1Cl)C 34a_100025705715_100015514636 [0,2,0,0,0,0|1,0,1]=4 19877 B13R1.656 C=CCNCc1cc(ccc1Cl)Cl 2230a_100020586998_100000756322 [0,2,0,0,0,0|1,0,1]=4 19878 B13R1.656 C=CCNCc1cc(ccc1Cl)Cl 270004a_100020586998_100000746308 [0,2,0,0,0,0|1,0,1]=4 19879 B13R1.656 C=CCNCc1cc(ccc1Cl)Cl 34a_100102946428_100015514636 [0,2,0,0,0,0|1,0,1]=4 19880 B13R1.656 C=CCNCc1cc(ccc1Cl)F 2230a_100011830483_100000210623 [0,2,0,0,0,0|1,0,1]=4 19881 B13R1.656 C=CCNCc1cc(ccc1Cl)F 2230a_100020586998_100000709952 [0,2,0,0,0,0|1,0,1]=4 19882 B13R1.656 C=CCNCc1cc(ccc1Cl)F 270004a_100020586998_100011218309 [0,2,0,0,0,0|1,0,1]=4 19883 B13R1.656 C=CCNCc1cc(ccc1Cl)F 34a_100011830483_100015514636 [0,2,0,0,0,0|1,0,1]=4 19884 B13R1.656 C=CCNCc1cc(ccc1Cl)I 2230a_100020586998_100010188191 [0,2,0,0,0,0|1,0,1]=4 19885 B13R1.656 C=CCOCc1cc(ccc1Cl)Br 34a_100011215897_100015514636 [0,2,0,0,0,0|1,0,1]=4 19886 B13R1.656 C=CCOCc1cc(ccc1Cl)Br 34a_200000210373_100000763347 [0,2,0,0,0,0|1,0,1]=4 19887 B13R1.656 C=CCOCc1cc(ccc1Cl)Br 7a_100011215897_100015514636 [0,2,0,0,0,0|1,0,1]=4 19888 B13R1.656 C=CCOCc1cc(ccc1Cl)C 34a_100009878994_100015514636 [0,2,0,0,0,0|1,0,1]=4 19889 B13R1.656 C=CCOCc1cc(ccc1Cl)C 34a_200000210373_100009871730 [0,2,0,0,0,0|1,0,1]=4 19890 B13R1.656 C=CCOCc1cc(ccc1Cl)C 7a_100009878994_100015514636 [0,2,0,0,0,0|1,0,1]=4 19891 B13R1.656 C=CCOCc1cc(ccc1Cl)Cl 34a_100000698905_100015514636 [0,2,0,0,0,0|1,0,1]=4 19892 B13R1.656 C=CCOCc1cc(ccc1Cl)Cl 34a_200000210373_100000756322 [0,2,0,0,0,0|1,0,1]=4 19893 B13R1.656 C=CCOCc1cc(ccc1Cl)Cl 7a_100000698905_100015514636 [0,2,0,0,0,0|1,0,1]=4 19894 B13R1.656 C=CCOCc1cc(ccc1Cl)F 34a_100011218361_100015514636 [0,2,0,0,0,0|1,0,1]=4 19895 B13R1.656 C=CCOCc1cc(ccc1Cl)F 34a_200000210373_100000709952 [0,2,0,0,0,0|1,0,1]=4 19896 B13R1.656 C=CCOCc1cc(ccc1Cl)F 7a_100011218361_100015514636 [0,2,0,0,0,0|1,0,1]=4 19897 B13R1.656 C=CCOCc1cc(ccc1Cl)I 34a_100010128486_100015514636 [0,2,0,0,0,0|1,0,1]=4 19898 B13R1.656 C=CCOCc1cc(ccc1Cl)I 34a_200000210373_100010188191 [0,2,0,0,0,0|1,0,1]=4 19899 B13R1.656 C=CCOCc1cc(ccc1Cl)I 7a_100010128486_100015514636 [0,2,0,0,0,0|1,0,1]=4 19900 B13R1.656 C=CCOCc1cc(ccc1Cl)N 34a_100011273577_100015514636 [0,2,0,0,0,0|1,0,1]=4 19901 B13R1.656 C=CCSCc1cc(ccc1Cl)Br 62a_100000210623_100000763347 [0,2,0,0,0,0|1,0,1]=4 19902 B13R1.656 C=CCSCc1cc(ccc1Cl)Br 62a_100000763347_100000210623 [0,2,0,0,0,0|1,0,1]=4 19903 B13R1.656 C=CCSCc1cc(ccc1Cl)C 62a_100000210623_100009871730 [0,2,0,0,0,0|1,0,1]=4 19904 B13R1.656 C=CCSCc1cc(ccc1Cl)C 62a_100009871730_100000210623 [0,2,0,0,0,0|1,0,1]=4 19905 B13R1.656 C=CCSCc1cc(ccc1Cl)Cl 62a_100000210623_100000756322 [0,2,0,0,0,0|1,0,1]=4 19906 B13R1.656 C=CCSCc1cc(ccc1Cl)Cl 62a_100000756322_100000210623 [0,2,0,0,0,0|1,0,1]=4 19907 B13R1.656 C=CCSCc1cc(ccc1Cl)F 62a_100000210623_100000709952 [0,2,0,0,0,0|1,0,1]=4 19908 B13R1.656 C=CCSCc1cc(ccc1Cl)F 62a_100000709952_100000210623 [0,2,0,0,0,0|1,0,1]=4 19909 B13R1.656 C=CCSCc1cc(ccc1Cl)I 62a_100000210623_100010188191 [0,2,0,0,0,0|1,0,1]=4 19910 B13R1.656 C=CCSCc1cc(ccc1Cl)I 62a_100010188191_100000210623 [0,2,0,0,0,0|1,0,1]=4 19911 B13R1.656 CC#CCNc1cc(ccc1Cl)Br 34a_100000750497_100000748600 [0,2,0,0,0,0|1,0,1]=4 19912 B13R1.656 CC#CCNc1cc(ccc1Cl)C 34a_100011215360_100000748600 [0,2,0,0,0,0|1,0,1]=4 19913 B13R1.656 CC#CCNc1cc(ccc1Cl)Cl 34a_100000184485_100000748600 [0,2,0,0,0,0|1,0,1]=4 19914 B13R1.656 CC#CCNc1cc(ccc1Cl)F 34a_100000751338_100000748600 [0,2,0,0,0,0|1,0,1]=4 19915 B13R1.656 CC#CCNc1cc(ccc1Cl)I 34a_200000761891_100000748600 [0,2,0,0,0,0|1,0,1]=4 19916 B13R1.656 CC#CCNc1cc(ccc1Cl)O 34a_100011934297_100000748600 [0,2,0,0,0,0|1,0,1]=4 19917 B13R1.656 CC#CCOc1cc(ccc1Cl)Br 34a_100000738945_100000748600 [0,2,0,0,0,0|1,0,1]=4 19918 B13R1.656 CC#CCOc1cc(ccc1Cl)Br 7a_100000738945_100000748600 [0,2,0,0,0,0|1,0,1]=4 19919 B13R1.656 CC#CCOc1cc(ccc1Cl)C 34a_100000211493_100000748600 [0,2,0,0,0,0|1,0,1]=4 19920 B13R1.656 CC#CCOc1cc(ccc1Cl)C 7a_100000211493_100000748600 [0,2,0,0,0,0|1,0,1]=4 19921 B13R1.656 CC#CCOc1cc(ccc1Cl)Cl 34a_100000211422_100000748600 [0,2,0,0,0,0|1,0,1]=4 19922 B13R1.656 CC#CCOc1cc(ccc1Cl)Cl 7a_100000211422_100000748600 [0,2,0,0,0,0|1,0,1]=4 19923 B13R1.656 CC#CCOc1cc(ccc1Cl)F 34a_100000692107_100000748600 [0,2,0,0,0,0|1,0,1]=4 19924 B13R1.656 CC#CCOc1cc(ccc1Cl)F 7a_100000692107_100000748600 [0,2,0,0,0,0|1,0,1]=4 19925 B13R1.656 CC#CCOc1cc(ccc1Cl)I 34a_100011356854_100000748600 [0,2,0,0,0,0|1,0,1]=4 19926 B13R1.656 CC#CCOc1cc(ccc1Cl)I 7a_100011356854_100000748600 [0,2,0,0,0,0|1,0,1]=4 19927 B13R1.656 CC#CCOc1cc(ccc1Cl)N 34a_100011934209_100000748600 [0,2,0,0,0,0|1,0,1]=4 19928 B13R1.656 CC#CCSc1cc(ccc1Cl)Br 62a_100000748600_100011772130 [0,2,0,0,0,0|1,0,1]=4 19929 B13R1.656 CC#CCSc1cc(ccc1Cl)Br 62a_100011772130_100000748600 [0,2,0,0,0,0|1,0,1]=4 19930 B13R1.656 CC#CCSc1cc(ccc1Cl)C 62a_100000748600_100012356289 [0,2,0,0,0,0|1,0,1]=4 19931 B13R1.656 CC#CCSc1cc(ccc1Cl)C 62a_100012356289_100000748600 [0,2,0,0,0,0|1,0,1]=4 19932 B13R1.656 CC#CCSc1cc(ccc1Cl)Cl 62a_100000707729_100000748600 [0,2,0,0,0,0|1,0,1]=4 19933 B13R1.656 CC#CCSc1cc(ccc1Cl)Cl 62a_100000748600_100000707729 [0,2,0,0,0,0|1,0,1]=4 19934 B13R1.656 CC#CCSc1cc(ccc1Cl)F 62a_100000748600_100011217299 [0,2,0,0,0,0|1,0,1]=4 19935 B13R1.656 CC#CCSc1cc(ccc1Cl)F 62a_100011217299_100000748600 [0,2,0,0,0,0|1,0,1]=4 19936 B13R1.656 CC#CCSc1cc(ccc1Cl)N 62a_100000748600_100012360549 [0,2,0,0,0,0|1,0,1]=4 19937 B13R1.656 CC#CCSc1cc(ccc1Cl)N 62a_100012360549_100000748600 [0,2,0,0,0,0|1,0,1]=4 19938 B13R1.656 CC#CCSc1cc(ccc1Cl)O 62a_100000049588_100000748600 [0,2,0,0,0,0|1,0,1]=4 19939 B13R1.656 CC#CCSc1cc(ccc1Cl)O 62a_100000748600_100000049588 [0,2,0,0,0,0|1,0,1]=4 19940 B13R1.656 CC=CCNc1cc(ccc1Cl)Br 34a_100000750497_100000070051 [0,2,0,0,0,0|1,0,1]=4 19941 B13R1.656 CC=CCNc1cc(ccc1Cl)C 34a_100011215360_100000070051 [0,2,0,0,0,0|1,0,1]=4 19942 B13R1.656 CC=CCNc1cc(ccc1Cl)Cl 34a_100000184485_100000070051 [0,2,0,0,0,0|1,0,1]=4 19943 B13R1.656 CC=CCNc1cc(ccc1Cl)F 34a_100000751338_100000070051 [0,2,0,0,0,0|1,0,1]=4 19944 B13R1.656 CC=CCNc1cc(ccc1Cl)I 34a_200000761891_100000070051 [0,2,0,0,0,0|1,0,1]=4 19945 B13R1.656 CC=CCNc1cc(ccc1Cl)O 34a_100011934297_100000070051 [0,2,0,0,0,0|1,0,1]=4 19946 B13R1.656 CC=CCOc1cc(ccc1Cl)Br 34a_100000738945_100000070051 [0,2,0,0,0,0|1,0,1]=4 19947 B13R1.656 CC=CCOc1cc(ccc1Cl)Br 7a_100000738945_100000070051 [0,2,0,0,0,0|1,0,1]=4 19948 B13R1.656 CC=CCOc1cc(ccc1Cl)C 34a_100000211493_100000070051 [0,2,0,0,0,0|1,0,1]=4 19949 B13R1.656 CC=CCOc1cc(ccc1Cl)C 7a_100000211493_100000070051 [0,2,0,0,0,0|1,0,1]=4 19950 B13R1.656 CC=CCOc1cc(ccc1Cl)Cl 34a_100000211422_100000070051 [0,2,0,0,0,0|1,0,1]=4 19951 B13R1.656 CC=CCOc1cc(ccc1Cl)Cl 7a_100000211422_100000070051 [0,2,0,0,0,0|1,0,1]=4 19952 B13R1.656 CC=CCOc1cc(ccc1Cl)F 34a_100000692107_100000070051 [0,2,0,0,0,0|1,0,1]=4 19953 B13R1.656 CC=CCOc1cc(ccc1Cl)F 7a_100000692107_100000070051 [0,2,0,0,0,0|1,0,1]=4 19954 B13R1.656 CC=CCOc1cc(ccc1Cl)I 34a_100011356854_100000070051 [0,2,0,0,0,0|1,0,1]=4 19955 B13R1.656 CC=CCOc1cc(ccc1Cl)I 7a_100011356854_100000070051 [0,2,0,0,0,0|1,0,1]=4 19956 B13R1.656 CC=CCOc1cc(ccc1Cl)N 34a_100011934209_100000070051 [0,2,0,0,0,0|1,0,1]=4 19957 B13R1.656 CC=CCSc1cc(ccc1Cl)Br 62a_100000070051_100011772130 [0,2,0,0,0,0|1,0,1]=4 19958 B13R1.656 CC=CCSc1cc(ccc1Cl)Br 62a_100011772130_100000070051 [0,2,0,0,0,0|1,0,1]=4 19959 B13R1.656 CC=CCSc1cc(ccc1Cl)C 62a_100000070051_100012356289 [0,2,0,0,0,0|1,0,1]=4 19960 B13R1.656 CC=CCSc1cc(ccc1Cl)C 62a_100012356289_100000070051 [0,2,0,0,0,0|1,0,1]=4 19961 B13R1.656 CC=CCSc1cc(ccc1Cl)Cl 62a_100000070051_100000707729 [0,2,0,0,0,0|1,0,1]=4 19962 B13R1.656 CC=CCSc1cc(ccc1Cl)Cl 62a_100000707729_100000070051 [0,2,0,0,0,0|1,0,1]=4 19963 B13R1.656 CC=CCSc1cc(ccc1Cl)F 62a_100000070051_100011217299 [0,2,0,0,0,0|1,0,1]=4 19964 B13R1.656 CC=CCSc1cc(ccc1Cl)F 62a_100011217299_100000070051 [0,2,0,0,0,0|1,0,1]=4 19965 B13R1.656 CC=CCSc1cc(ccc1Cl)N 62a_100000070051_100012360549 [0,2,0,0,0,0|1,0,1]=4 19966 B13R1.656 CC=CCSc1cc(ccc1Cl)N 62a_100012360549_100000070051 [0,2,0,0,0,0|1,0,1]=4 19967 B13R1.656 CC=CCSc1cc(ccc1Cl)O 62a_100000049588_100000070051 [0,2,0,0,0,0|1,0,1]=4 19968 B13R1.656 CC=CCSc1cc(ccc1Cl)O 62a_100000070051_100000049588 [0,2,0,0,0,0|1,0,1]=4 19969 B13R1.656 CC=NNCc1cc(ccc1Cl)Cl 4a_100000726884_200000210099 [0,2,0,0,0,0|1,0,1]=4 19970 B13R1.656 CCCC=Cc1cc(ccc1Cl)Br 271570a_100016258520_100011772130 [0,2,0,0,0,0|1,0,1]=4 19971 B13R1.656 CCCC=Cc1cc(ccc1Cl)C 271570a_100016258520_100012356289 [0,2,0,0,0,0|1,0,1]=4 19972 B13R1.656 CCCC=Cc1cc(ccc1Cl)Cl 271570a_100016258520_100000707729 [0,2,0,0,0,0|1,0,1]=4 19973 B13R1.656 CCCC=Cc1cc(ccc1Cl)F 271570a_100016258520_100011217299 [0,2,0,0,0,0|1,0,1]=4 19974 B13R1.656 CCCC=Cc1cc(ccc1Cl)N 271570a_100016258520_100012360549 [0,2,0,0,0,0|1,0,1]=4 19975 B13R1.656 CCCC=Cc1cc(ccc1Cl)O 271570a_100016258520_100000049588 [0,2,0,0,0,0|1,0,1]=4 19976 B13R1.656 CCCCNc1cc(ccc1Br)Br 34a_100000737762_100000210210 [0,2,0,0,0,0|1,1,0]=4 19977 B13R1.656 CCCCNc1cc(ccc1Br)C 34a_100000745044_100000210210 [0,2,0,0,0,0|1,1,0]=4 19978 B13R1.656 CCCCNc1cc(ccc1Br)Cl 34a_100000687073_100000210210 [0,2,0,0,0,0|1,1,0]=4 19979 B13R1.656 CCCCNc1cc(ccc1Br)F 34a_100000687223_100000210210 [0,2,0,0,0,0|1,1,0]=4 19980 B13R1.656 CCCCNc1cc(ccc1Br)O 34a_100011999798_100000210210 [0,2,0,0,0,0|1,1,0]=4 19981 B13R1.656 CCCCNc1cc(ccc1C)Br 34a_100000741167_100000210210 [0,2,0,0,0,0|2,0,0]=4 19982 B13R1.656 CCCCNc1cc(ccc1C)Br 7a_100000741167_100000210211 [0,2,0,0,0,0|2,0,0]=4 19983 B13R1.656 CCCCNc1cc(ccc1C)C 2230a_100000185781_100000210211 [0,2,0,0,0,0|2,0,0]=4 19984 B13R1.656 CCCCNc1cc(ccc1C)C 34a_100000185781_100000210210 [0,2,0,0,0,0|2,0,0]=4 19985 B13R1.656 CCCCNc1cc(ccc1C)C 7a_100000185781_100000210211 [0,2,0,0,0,0|2,0,0]=4 19986 B13R1.656 CCCCNc1cc(ccc1C)Cl 34a_100000211374_100000210210 [0,2,0,0,0,0|2,0,0]=4 19987 B13R1.656 CCCCNc1cc(ccc1C)Cl 7a_100000211374_100000210211 [0,2,0,0,0,0|2,0,0]=4 19988 B13R1.656 CCCCNc1cc(ccc1C)F 34a_100000211107_100000210210 [0,2,0,0,0,0|2,0,0]=4 19989 B13R1.656 CCCCNc1cc(ccc1C)F 7a_100000211107_100000210211 [0,2,0,0,0,0|2,0,0]=4 19990 B13R1.656 CCCCNc1cc(ccc1C)I 7a_100000761890_100000210211 [0,2,0,0,0,0|2,0,0]=4 19991 B13R1.656 CCCCNc1cc(ccc1C)O 34a_100011216113_100000210210 [0,2,0,0,0,0|2,0,0]=4 19992 B13R1.656 CCCCNc1cc(ccc1Cl)Br 34a_100000750497_100000210210 [0,2,0,0,0,0|1,0,0]=3 19993 B13R1.656 CCCCNc1cc(ccc1Cl)C 34a_100011215360_100000210210 [0,2,0,0,0,0|1,0,0]=3 19994 B13R1.656 CCCCNc1cc(ccc1Cl)Cl 34a_100000184485_100000210210 [0,2,0,0,0,0|1,0,0]=3 19995 B13R1.656 CCCCNc1cc(ccc1Cl)F 34a_100000751338_100000210210 [0,2,0,0,0,0|1,0,0]=3 19996 B13R1.656 CCCCNc1cc(ccc1Cl)I 34a_200000761891_100000210210 [0,2,0,0,0,0|1,0,0]=3 19997 B13R1.656 CCCCNc1cc(ccc1Cl)O 34a_100011934297_100000210210 [0,2,0,0,0,0|1,0,0]=3 19998 B13R1.656 CCCCNc1cc(ccc1F)Br 34a_100000740924_100000210210 [0,2,0,0,0,0|1,1,0]=4 19999 B13R1.656 CCCCNc1cc(ccc1F)C 34a_100000211285_100000210210 [0,2,0,0,0,0|1,1,0]=4 20000 B13R1.656 CCCCNc1cc(ccc1F)Cl 34a_100000212115_100000210210 [0,2,0,0,0,0|1,1,0]=4 20001 B13R1.656 CCCCNc1cc(ccc1F)F 34a_100000210742_100000210210 [0,2,0,0,0,0|1,1,0]=4 20002 B13R1.656 CCCCNc1cc(ccc1F)I 34a_100011464823_100000210210 [0,2,0,0,0,0|1,1,0]=4 20003 B13R1.656 CCCCNc1cc(ccc1F)O 34a_100012017239_100000210210 [0,2,0,0,0,0|1,1,0]=4 20004 B13R1.656 CCCCNc1cc(ccc1I)Br 34a_100000743836_100000210210 [0,2,0,0,0,0|1,1,0]=4 20005 B13R1.656 CCCCNc1cc(ccc1I)C 34a_100011216686_100000210210 [0,2,0,0,0,0|1,1,0]=4 20006 B13R1.656 CCCCNc1cc(ccc1I)Cl 34a_100000761886_100000210210 [0,2,0,0,0,0|1,1,0]=4 20007 B13R1.656 CCCCNc1cc(ccc1I)F 34a_100011218093_100000210210 [0,2,0,0,0,0|1,1,0]=4 20008 B13R1.656 CCCCNc1cc(ccc1O)Br 34a_100000752626_100000210210 [0,2,0,0,0,0|2,0,0]=4 20009 B13R1.656 CCCCNc1cc(ccc1O)C 34a_100011215204_100000210210 [0,2,0,0,0,0|2,0,0]=4 20010 B13R1.656 CCCCNc1cc(ccc1O)Cl 34a_100000210500_100000210210 [0,2,0,0,0,0|2,0,0]=4 20011 B13R1.656 CCCCNc1cc(ccc1O)F 34a_100000759472_100000210210 [0,2,0,0,0,0|2,0,0]=4 20012 B13R1.656 CCCCNc1cc(ncc1Cl)F 27a_100000102301_100009892587 [0,2,0,0,0,0|2,0,0]=4 20013 B13R1.656 CCCCOc1cc(=O)[nH]cc1Cl 34a_100000069390_100000210210 [0,2,0,0,0,0|2,0,0]=4 20014 B13R1.656 CCCCOc1cc(ccc1Br)Br 34a_100011220040_100000210210 [0,2,0,0,0,0|1,1,0]=4 20015 B13R1.656 CCCCOc1cc(ccc1Br)Br 7a_100011220040_100000210211 [0,2,0,0,0,0|1,1,0]=4 20016 B13R1.656 CCCCOc1cc(ccc1Br)C 34a_100012002257_100000210210 [0,2,0,0,0,0|1,1,0]=4 20017 B13R1.656 CCCCOc1cc(ccc1Br)C 7a_100012002257_100000210211 [0,2,0,0,0,0|1,1,0]=4 20018 B13R1.656 CCCCOc1cc(ccc1Br)Cl 34a_100012339455_100000210210 [0,2,0,0,0,0|1,1,0]=4 20019 B13R1.656 CCCCOc1cc(ccc1Br)Cl 7a_100012339455_100000210211 [0,2,0,0,0,0|1,1,0]=4 20020 B13R1.656 CCCCOc1cc(ccc1Br)F 34a_100000690578_100000210210 [0,2,0,0,0,0|1,1,0]=4 20021 B13R1.656 CCCCOc1cc(ccc1Br)F 7a_100000690578_100000210211 [0,2,0,0,0,0|1,1,0]=4 20022 B13R1.656 CCCCOc1cc(ccc1Br)I 34a_100012356990_100000210210 [0,2,0,0,0,0|1,1,0]=4 20023 B13R1.656 CCCCOc1cc(ccc1Br)I 7a_100012356990_100000210211 [0,2,0,0,0,0|1,1,0]=4 20024 B13R1.656 CCCCOc1cc(ccc1C)Br 34a_100000685420_100000210210 [0,2,0,0,0,0|2,0,0]=4 20025 B13R1.656 CCCCOc1cc(ccc1C)Br 7a_100000685420_100000210211 [0,2,0,0,0,0|2,0,0]=4 20026 B13R1.656 CCCCOc1cc(ccc1C)C 34a_100000210931_100000210210 [0,2,0,0,0,0|2,0,0]=4 20027 B13R1.656 CCCCOc1cc(ccc1C)C 7a_100000210931_100000210211 [0,2,0,0,0,0|2,0,0]=4 20028 B13R1.656 CCCCOc1cc(ccc1C)Cl 34a_100000756515_100000210210 [0,2,0,0,0,0|2,0,0]=4 20029 B13R1.656 CCCCOc1cc(ccc1C)Cl 7a_100000756515_100000210211 [0,2,0,0,0,0|2,0,0]=4 20030 B13R1.656 CCCCOc1cc(ccc1C)F 34a_100000690566_100000210210 [0,2,0,0,0,0|2,0,0]=4 20031 B13R1.656 CCCCOc1cc(ccc1C)F 7a_100000690566_100000210211 [0,2,0,0,0,0|2,0,0]=4 20032 B13R1.656 CCCCOc1cc(ccc1C)I 7a_100000766334_100000210211 [0,2,0,0,0,0|2,0,0]=4 20033 B13R1.656 CCCCOc1cc(ccc1C)N 34a_100000759471_100000210210 [0,2,0,0,0,0|2,0,0]=4 20034 B13R1.656 CCCCOc1cc(ccc1C)N 7a_100000759471_100000210211 [0,2,0,0,0,0|2,0,0]=4 20035 B13R1.656 CCCCOc1cc(ccc1Cl)Br 34a_100000738945_100000210210 [0,2,0,0,0,0|1,0,0]=3 20036 B13R1.656 CCCCOc1cc(ccc1Cl)Br 7a_100000738945_100000210211 [0,2,0,0,0,0|1,0,0]=3 20037 B13R1.656 CCCCOc1cc(ccc1Cl)C 34a_100000211493_100000210210 [0,2,0,0,0,0|1,0,0]=3 20038 B13R1.656 CCCCOc1cc(ccc1Cl)C 7a_100000211493_100000210211 [0,2,0,0,0,0|1,0,0]=3 20039 B13R1.656 CCCCOc1cc(ccc1Cl)Cl 34a_100000211422_100000210210 [0,2,0,0,0,0|1,0,0]=3 20040 B13R1.656 CCCCOc1cc(ccc1Cl)Cl 7a_100000211422_100000210211 [0,2,0,0,0,0|1,0,0]=3 20041 B13R1.656 CCCCOc1cc(ccc1Cl)F 34a_100000692107_100000210210 [0,2,0,0,0,0|1,0,0]=3 20042 B13R1.656 CCCCOc1cc(ccc1Cl)F 7a_100000692107_100000210211 [0,2,0,0,0,0|1,0,0]=3 20043 B13R1.656 CCCCOc1cc(ccc1Cl)I 34a_100011356854_100000210210 [0,2,0,0,0,0|1,0,0]=3 20044 B13R1.656 CCCCOc1cc(ccc1Cl)I 7a_100011356854_100000210211 [0,2,0,0,0,0|1,0,0]=3 20045 B13R1.656 CCCCOc1cc(ccc1Cl)N 34a_100011934209_100000210210 [0,2,0,0,0,0|1,0,0]=3 20046 B13R1.656 CCCCOc1cc(ccc1F)Br 34a_100000686035_100000210210 [0,2,0,0,0,0|1,1,0]=4 20047 B13R1.656 CCCCOc1cc(ccc1F)Br 7a_100000686035_100000210211 [0,2,0,0,0,0|1,1,0]=4 20048 B13R1.656 CCCCOc1cc(ccc1F)C 34a_100000759540_100000210210 [0,2,0,0,0,0|1,1,0]=4 20049 B13R1.656 CCCCOc1cc(ccc1F)C 7a_100000759540_100000210211 [0,2,0,0,0,0|1,1,0]=4 20050 B13R1.656 CCCCOc1cc(ccc1F)Cl 34a_100000757397_100000210210 [0,2,0,0,0,0|1,1,0]=4 20051 B13R1.656 CCCCOc1cc(ccc1F)Cl 7a_100000757397_100000210211 [0,2,0,0,0,0|1,1,0]=4 20052 B13R1.656 CCCCOc1cc(ccc1F)F 34a_100000752141_100000210210 [0,2,0,0,0,0|1,1,0]=4 20053 B13R1.656 CCCCOc1cc(ccc1F)F 7a_100000752141_100000210211 [0,2,0,0,0,0|1,1,0]=4 20054 B13R1.656 CCCCOc1cc(ccc1F)I 34a_100009958187_100000210210 [0,2,0,0,0,0|1,1,0]=4 20055 B13R1.656 CCCCOc1cc(ccc1F)I 7a_100009958187_100000210211 [0,2,0,0,0,0|1,1,0]=4 20056 B13R1.656 CCCCOc1cc(ccc1F)N 34a_100012017398_100000210210 [0,2,0,0,0,0|1,1,0]=4 20057 B13R1.656 CCCCOc1cc(ccc1F)N 7a_100012017398_100000210211 [0,2,0,0,0,0|1,1,0]=4 20058 B13R1.656 CCCCOc1cc(ccc1I)Br 34a_100012344904_100000210210 [0,2,0,0,0,0|1,1,0]=4 20059 B13R1.656 CCCCOc1cc(ccc1I)Br 7a_100012344904_100000210211 [0,2,0,0,0,0|1,1,0]=4 20060 B13R1.656 CCCCOc1cc(ccc1I)Cl 34a_100000050036_100000210210 [0,2,0,0,0,0|1,1,0]=4 20061 B13R1.656 CCCCOc1cc(ccc1I)Cl 7a_100000050036_100000210211 [0,2,0,0,0,0|1,1,0]=4 20062 B13R1.656 CCCCOc1cc(ccc1I)F 34a_100010084537_100000210210 [0,2,0,0,0,0|1,1,0]=4 20063 B13R1.656 CCCCOc1cc(ccc1I)F 7a_100010084537_100000210211 [0,2,0,0,0,0|1,1,0]=4 20064 B13R1.656 CCCCOc1cc(ccc1N)Br 34a_100000739049_100000210210 [0,2,0,0,0,0|2,0,0]=4 20065 B13R1.656 CCCCOc1cc(ccc1N)Br 7a_100000739049_100000210211 [0,2,0,0,0,0|2,0,0]=4 20066 B13R1.656 CCCCOc1cc(ccc1N)C 34a_100000211527_100000210210 [0,2,0,0,0,0|2,0,0]=4 20067 B13R1.656 CCCCOc1cc(ccc1N)C 7a_100000211527_100000210211 [0,2,0,0,0,0|2,0,0]=4 20068 B13R1.656 CCCCOc1cc(ccc1N)Cl 34a_100000185728_100000210210 [0,2,0,0,0,0|2,0,0]=4 20069 B13R1.656 CCCCOc1cc(ccc1N)Cl 7a_100000185728_100000210211 [0,2,0,0,0,0|2,0,0]=4 20070 B13R1.656 CCCCOc1cc(ccc1N)F 34a_100000753323_100000210210 [0,2,0,0,0,0|2,0,0]=4 20071 B13R1.656 CCCCOc1cc(ccc1N)F 7a_100000753323_100000210211 [0,2,0,0,0,0|2,0,0]=4 20072 B13R1.656 CCCCOc1cc(ccc1N)I 34a_100000057187_100000210210 [0,2,0,0,0,0|2,0,0]=4 20073 B13R1.656 CCCCOc1cc(ccc1N)I 7a_100000057187_100000210211 [0,2,0,0,0,0|2,0,0]=4 20074 B13R1.656 CCCCOc1cc(ccc1N)N 34a_100025717382_100000210210 [0,2,0,0,0,0|2,0,0]=4 20075 B13R1.656 CCCCOc1cc(ccc1O)F 271570a_203496583355_200012344554 [0,2,0,0,0,0|2,0,0]=4 20076 B13R1.656 CCCCOc1cc(cnc1Cl)Br 34a_100012354860_100000210210 [0,2,0,0,0,0|2,0,0]=4 20077 B13R1.656 CCCCOc1cc(cnc1Cl)Br 7a_100012354860_100000210211 [0,2,0,0,0,0|2,0,0]=4 20078 B13R1.656 CCCCOc1cc(cnc1Cl)C 34a_100012000487_100000210210 [0,2,0,0,0,0|2,0,0]=4 20079 B13R1.656 CCCCOc1cc(cnc1Cl)C 7a_100012000487_100000210211 [0,2,0,0,0,0|2,0,0]=4 20080 B13R1.656 CCCCOc1cc(cnc1Cl)F 34a_100000079967_100000210210 [0,2,0,0,0,0|2,0,0]=4 20081 B13R1.656 CCCCOc1cc(cnc1Cl)F 7a_100000079967_100000210211 [0,2,0,0,0,0|2,0,0]=4 20082 B13R1.656 CCCCOc1cc(ncc1Cl)Br 34a_100010173861_100000210210 [0,2,0,0,0,0|2,0,0]=4 20083 B13R1.656 CCCCSc1cc(ccc1Br)Br 62a_100000210211_100011483371 [0,2,0,0,0,0|1,1,0]=4 20084 B13R1.656 CCCCSc1cc(ccc1Br)Br 62a_100011483371_100000210210 [0,2,0,0,0,0|1,1,0]=4 20085 B13R1.656 CCCCSc1cc(ccc1Br)C 62a_100000210211_100012353751 [0,2,0,0,0,0|1,1,0]=4 20086 B13R1.656 CCCCSc1cc(ccc1Br)C 62a_100012353751_100000210210 [0,2,0,0,0,0|1,1,0]=4 20087 B13R1.656 CCCCSc1cc(ccc1Br)Cl 62a_100000210211_100012339723 [0,2,0,0,0,0|1,1,0]=4 20088 B13R1.656 CCCCSc1cc(ccc1Br)Cl 62a_100012339723_100000210210 [0,2,0,0,0,0|1,1,0]=4 20089 B13R1.656 CCCCSc1cc(ccc1Br)F 62a_100000210211_100011217576 [0,2,0,0,0,0|1,1,0]=4 20090 B13R1.656 CCCCSc1cc(ccc1Br)F 62a_100011217576_100000210210 [0,2,0,0,0,0|1,1,0]=4 20091 B13R1.656 CCCCSc1cc(ccc1Br)N 62a_100000210211_100000750459 [0,2,0,0,0,0|1,1,0]=4 20092 B13R1.656 CCCCSc1cc(ccc1Br)N 62a_100000750459_100000210210 [0,2,0,0,0,0|1,1,0]=4 20093 B13R1.656 CCCCSc1cc(ccc1Br)O 62a_100000210211_100012339312 [0,2,0,0,0,0|1,1,0]=4 20094 B13R1.656 CCCCSc1cc(ccc1Br)O 62a_100012339312_100000210210 [0,2,0,0,0,0|1,1,0]=4 20095 B13R1.656 CCCCSc1cc(ccc1C)Br 62a_100000210211_100011344865 [0,2,0,0,0,0|2,0,0]=4 20096 B13R1.656 CCCCSc1cc(ccc1C)Br 62a_100011344865_100000210210 [0,2,0,0,0,0|2,0,0]=4 20097 B13R1.656 CCCCSc1cc(ccc1C)C 62a_100000210211_100000210833 [0,2,0,0,0,0|2,0,0]=4 20098 B13R1.656 CCCCSc1cc(ccc1C)C 62a_100000210833_100000210210 [0,2,0,0,0,0|2,0,0]=4 20099 B13R1.656 CCCCSc1cc(ccc1C)Cl 62a_100000210211_100011263213 [0,2,0,0,0,0|2,0,0]=4 20100 B13R1.656 CCCCSc1cc(ccc1C)Cl 62a_100011263213_100000210210 [0,2,0,0,0,0|2,0,0]=4 20101 B13R1.656 CCCCSc1cc(ccc1C)F 62a_100000210211_100011218078 [0,2,0,0,0,0|2,0,0]=4 20102 B13R1.656 CCCCSc1cc(ccc1C)F 62a_100011218078_100000210210 [0,2,0,0,0,0|2,0,0]=4 20103 B13R1.656 CCCCSc1cc(ccc1C)N 62a_100000210211_100000736455 [0,2,0,0,0,0|2,0,0]=4 20104 B13R1.656 CCCCSc1cc(ccc1C)N 62a_100000736455_100000210210 [0,2,0,0,0,0|2,0,0]=4 20105 B13R1.656 CCCCSc1cc(ccc1C)O 62a_100000210211_100011380479 [0,2,0,0,0,0|2,0,0]=4 20106 B13R1.656 CCCCSc1cc(ccc1C)O 62a_100011380479_100000210210 [0,2,0,0,0,0|2,0,0]=4 20107 B13R1.656 CCCCSc1cc(ccc1Cl)Br 62a_100000210211_100011772130 [0,2,0,0,0,0|1,0,0]=3 20108 B13R1.656 CCCCSc1cc(ccc1Cl)Br 62a_100011772130_100000210210 [0,2,0,0,0,0|1,0,0]=3 20109 B13R1.656 CCCCSc1cc(ccc1Cl)C 62a_100000210211_100012356289 [0,2,0,0,0,0|1,0,0]=3 20110 B13R1.656 CCCCSc1cc(ccc1Cl)C 62a_100012356289_100000210210 [0,2,0,0,0,0|1,0,0]=3 20111 B13R1.656 CCCCSc1cc(ccc1Cl)Cl 62a_100000210211_100000707729 [0,2,0,0,0,0|1,0,0]=3 20112 B13R1.656 CCCCSc1cc(ccc1Cl)Cl 62a_100000707729_100000210210 [0,2,0,0,0,0|1,0,0]=3 20113 B13R1.656 CCCCSc1cc(ccc1Cl)F 62a_100000210211_100011217299 [0,2,0,0,0,0|1,0,0]=3 20114 B13R1.656 CCCCSc1cc(ccc1Cl)F 62a_100011217299_100000210210 [0,2,0,0,0,0|1,0,0]=3 20115 B13R1.656 CCCCSc1cc(ccc1Cl)N 62a_100000210211_100012360549 [0,2,0,0,0,0|1,0,0]=3 20116 B13R1.656 CCCCSc1cc(ccc1Cl)N 62a_100012360549_100000210210 [0,2,0,0,0,0|1,0,0]=3 20117 B13R1.656 CCCCSc1cc(ccc1Cl)O 62a_100000049588_100000210210 [0,2,0,0,0,0|1,0,0]=3 20118 B13R1.656 CCCCSc1cc(ccc1Cl)O 62a_100000210211_100000049588 [0,2,0,0,0,0|1,0,0]=3 20119 B13R1.656 CCCCSc1cc(ccc1F)Br 62a_100000210211_100011217312 [0,2,0,0,0,0|1,1,0]=4 20120 B13R1.656 CCCCSc1cc(ccc1F)Br 62a_100011217312_100000210210 [0,2,0,0,0,0|1,1,0]=4 20121 B13R1.656 CCCCSc1cc(ccc1F)C 62a_100000210211_100000736223 [0,2,0,0,0,0|1,1,0]=4 20122 B13R1.656 CCCCSc1cc(ccc1F)C 62a_100000736223_100000210210 [0,2,0,0,0,0|1,1,0]=4 20123 B13R1.656 CCCCSc1cc(ccc1F)Cl 62a_100000210211_100011218116 [0,2,0,0,0,0|1,1,0]=4 20124 B13R1.656 CCCCSc1cc(ccc1F)Cl 62a_100011218116_100000210210 [0,2,0,0,0,0|1,1,0]=4 20125 B13R1.656 CCCCSc1cc(ccc1F)F 62a_100000210211_100011219198 [0,2,0,0,0,0|1,1,0]=4 20126 B13R1.656 CCCCSc1cc(ccc1F)F 62a_100011219198_100000210210 [0,2,0,0,0,0|1,1,0]=4 20127 B13R1.656 CCCCSc1cc(ccc1F)N 62a_100000210211_100000760356 [0,2,0,0,0,0|1,1,0]=4 20128 B13R1.656 CCCCSc1cc(ccc1F)N 62a_100000760356_100000210210 [0,2,0,0,0,0|1,1,0]=4 20129 B13R1.656 CCCCSc1cc(ccc1F)O 62a_100000210211_100000693481 [0,2,0,0,0,0|1,1,0]=4 20130 B13R1.656 CCCCSc1cc(ccc1F)O 62a_100000693481_100000210210 [0,2,0,0,0,0|1,1,0]=4 20131 B13R1.656 CCCCSc1cc(ccc1N)Br 62a_100000187925_100000210210 [0,2,0,0,0,0|2,0,0]=4 20132 B13R1.656 CCCCSc1cc(ccc1N)Br 62a_100000210211_100000187925 [0,2,0,0,0,0|2,0,0]=4 20133 B13R1.656 CCCCSc1cc(ccc1N)C 62a_100000210211_100011356834 [0,2,0,0,0,0|2,0,0]=4 20134 B13R1.656 CCCCSc1cc(ccc1N)C 62a_100011356834_100000210210 [0,2,0,0,0,0|2,0,0]=4 20135 B13R1.656 CCCCSc1cc(ccc1N)Cl 62a_100000210211_100000761889 [0,2,0,0,0,0|2,0,0]=4 20136 B13R1.656 CCCCSc1cc(ccc1N)Cl 62a_100000761889_100000210210 [0,2,0,0,0,0|2,0,0]=4 20137 B13R1.656 CCCCSc1cc(ccc1N)F 62a_100000210211_100000760547 [0,2,0,0,0,0|2,0,0]=4 20138 B13R1.656 CCCCSc1cc(ccc1N)F 62a_100000760547_100000210210 [0,2,0,0,0,0|2,0,0]=4 20139 B13R1.656 CCCCSc1cc(ccc1N)N 62a_100000210211_100011534242 [0,2,0,0,0,0|2,0,0]=4 20140 B13R1.656 CCCCSc1cc(ccc1N)N 62a_100011534242_100000210210 [0,2,0,0,0,0|2,0,0]=4 20141 B13R1.656 CCCCSc1cc(ccc1N)O 62a_100000210211_100012001276 [0,2,0,0,0,0|2,0,0]=4 20142 B13R1.656 CCCCSc1cc(ccc1N)O 62a_100012001276_100000210210 [0,2,0,0,0,0|2,0,0]=4 20143 B13R1.656 CCCCSc1cc(ccc1O)Br 62a_100000210211_100012355227 [0,2,0,0,0,0|2,0,0]=4 20144 B13R1.656 CCCCSc1cc(ccc1O)Br 62a_100012355227_100000210210 [0,2,0,0,0,0|2,0,0]=4 20145 B13R1.656 CCCCSc1cc(ccc1O)C 62a_100000210211_100000765521 [0,2,0,0,0,0|2,0,0]=4 20146 B13R1.656 CCCCSc1cc(ccc1O)C 62a_100000765521_100000210210 [0,2,0,0,0,0|2,0,0]=4 20147 B13R1.656 CCCCSc1cc(ccc1O)Cl 62a_100000210211_100011356953 [0,2,0,0,0,0|2,0,0]=4 20148 B13R1.656 CCCCSc1cc(ccc1O)Cl 62a_100011356953_100000210210 [0,2,0,0,0,0|2,0,0]=4 20149 B13R1.656 CCCCSc1cc(ccc1O)F 62a_100000210211_100000211999 [0,2,0,0,0,0|2,0,0]=4 20150 B13R1.656 CCCCSc1cc(ccc1O)F 62a_100000211999_100000210210 [0,2,0,0,0,0|2,0,0]=4 20151 B13R1.656 CCCCSc1cc(ccc1O)N 62a_100000210211_100011534360 [0,2,0,0,0,0|2,0,0]=4 20152 B13R1.656 CCCCSc1cc(ccc1O)N 62a_100011534360_100000210210 [0,2,0,0,0,0|2,0,0]=4 20153 B13R1.656 CCCCSc1cc(ccc1O)O 62a_100000210211_100009813629 [0,2,0,0,0,0|2,0,0]=4 20154 B13R1.656 CCCCSc1cc(cnc1Cl)Br 62a_100000210211_100009814771 [0,2,0,0,0,0|2,0,0]=4 20155 B13R1.656 CCCCSc1cc(cnc1Cl)Br 62a_100009814771_100000210210 [0,2,0,0,0,0|2,0,0]=4 20156 B13R1.656 CCCCSc1cc(cnc1Cl)C 62a_100000210211_100010210167 [0,2,0,0,0,0|2,0,0]=4 20157 B13R1.656 CCCCSc1cc(cnc1Cl)C 62a_100010210167_100000210210 [0,2,0,0,0,0|2,0,0]=4 20158 B13R1.656 CCCCSc1cc(cnc1Cl)Cl 62a_100000210211_200000062399 [0,2,0,0,0,0|2,0,0]=4 20159 B13R1.656 CCCCSc1cc(cnc1Cl)Cl 62a_200000062399_100000210210 [0,2,0,0,0,0|2,0,0]=4 20160 B13R1.656 CCCCSc1cc(cnc1Cl)N 62a_100000210211_100010253917 [0,2,0,0,0,0|2,0,0]=4 20161 B13R1.656 CCCCSc1cc(cnc1Cl)N 62a_100010253917_100000210210 [0,2,0,0,0,0|2,0,0]=4 20162 B13R1.656 CCCCSc1cc(ncc1Cl)Br 62a_100000210211_100010223331 [0,2,0,0,0,0|2,0,0]=4 20163 B13R1.656 CCCCSc1cc(ncc1Cl)Br 62a_100010223331_100000210210 [0,2,0,0,0,0|2,0,0]=4 20164 B13R1.656 CCCCSc1cc(ncc1Cl)Cl 62a_100000210211_100010172835 [0,2,0,0,0,0|2,0,0]=4 20165 B13R1.656 CCCCSc1cc(ncc1Cl)Cl 62a_100010172835_100000210210 [0,2,0,0,0,0|2,0,0]=4 20166 B13R1.656 CCCCSc1cc(ncc1Cl)F 62a_100000210211_100009892587 [0,2,0,0,0,0|2,0,0]=4 20167 B13R1.656 CCCCSc1cc(ncc1Cl)F 62a_100009892587_100000210210 [0,2,0,0,0,0|2,0,0]=4 20168 B13R1.656 CCCCSc1cc(ncc1Cl)N 62a_100000210211_100010134119 [0,2,0,0,0,0|2,0,0]=4 20169 B13R1.656 CCCCSc1cc(ncc1Cl)N 62a_100010134119_100000210210 [0,2,0,0,0,0|2,0,0]=4 20170 B13R1.656 CCCNCc1cc(ccc1Br)Br 207a_100020643023_100011266429 [0,2,0,0,0,0|1,1,0]=4 20171 B13R1.656 CCCNCc1cc(ccc1Br)Br 270004a_100020643023_100011266429 [0,2,0,0,0,0|1,1,0]=4 20172 B13R1.656 CCCNCc1cc(ccc1Br)Br 34a_100000707832_100000210303 [0,2,0,0,0,0|1,1,0]=4 20173 B13R1.656 CCCNCc1cc(ccc1Br)C 207a_100020643023_100011551863 [0,2,0,0,0,0|1,1,0]=4 20174 B13R1.656 CCCNCc1cc(ccc1Br)C 270004a_100020643023_100011551863 [0,2,0,0,0,0|1,1,0]=4 20175 B13R1.656 CCCNCc1cc(ccc1Br)Cl 207a_100020643023_100000746314 [0,2,0,0,0,0|1,1,0]=4 20176 B13R1.656 CCCNCc1cc(ccc1Br)Cl 270004a_100020643023_100000746314 [0,2,0,0,0,0|1,1,0]=4 20177 B13R1.656 CCCNCc1cc(ccc1Br)F 207a_100020643023_100000766564 [0,2,0,0,0,0|1,1,0]=4 20178 B13R1.656 CCCNCc1cc(ccc1Br)F 2230a_100000742738_100000210303 [0,2,0,0,0,0|1,1,0]=4 20179 B13R1.656 CCCNCc1cc(ccc1Br)F 270004a_100020643023_100000766564 [0,2,0,0,0,0|1,1,0]=4 20180 B13R1.656 CCCNCc1cc(ccc1Br)F 34a_100000742738_100000210303 [0,2,0,0,0,0|1,1,0]=4 20181 B13R1.656 CCCNCc1cc(ccc1Br)I 207a_100020643023_100010185652 [0,2,0,0,0,0|1,1,0]=4 20182 B13R1.656 CCCNCc1cc(ccc1C)Br 207a_100020643023_100011361606 [0,2,0,0,0,0|2,0,0]=4 20183 B13R1.656 CCCNCc1cc(ccc1C)Br 270004a_100020643023_100011361606 [0,2,0,0,0,0|2,0,0]=4 20184 B13R1.656 CCCNCc1cc(ccc1C)C 207a_100020643023_100000211343 [0,2,0,0,0,0|2,0,0]=4 20185 B13R1.656 CCCNCc1cc(ccc1C)C 270004a_100020643023_100000211343 [0,2,0,0,0,0|2,0,0]=4 20186 B13R1.656 CCCNCc1cc(ccc1C)C 34a_100000174964_100000210303 [0,2,0,0,0,0|2,0,0]=4 20187 B13R1.656 CCCNCc1cc(ccc1C)Cl 207a_100020643023_100011551331 [0,2,0,0,0,0|2,0,0]=4 20188 B13R1.656 CCCNCc1cc(ccc1C)Cl 270004a_100020643023_100011551331 [0,2,0,0,0,0|2,0,0]=4 20189 B13R1.656 CCCNCc1cc(ccc1C)Cl 34a_100000717755_100000210303 [0,2,0,0,0,0|2,0,0]=4 20190 B13R1.656 CCCNCc1cc(ccc1C)F 207a_100020643023_100000697687 [0,2,0,0,0,0|2,0,0]=4 20191 B13R1.656 CCCNCc1cc(ccc1C)F 270004a_100020643023_100000697687 [0,2,0,0,0,0|2,0,0]=4 20192 B13R1.656 CCCNCc1cc(ccc1C)F 34a_100011217291_100000210303 [0,2,0,0,0,0|2,0,0]=4 20193 B13R1.656 CCCNCc1cc(ccc1C)O 34a_200009844824_100000210303 [0,2,0,0,0,0|2,0,0]=4 20194 B13R1.656 CCCNCc1cc(ccc1Cl)Br 207a_100020643023_100000746309 [0,2,0,0,0,0|1,0,0]=3 20195 B13R1.656 CCCNCc1cc(ccc1Cl)Br 270004a_100020643023_100000746309 [0,2,0,0,0,0|1,0,0]=3 20196 B13R1.656 CCCNCc1cc(ccc1Cl)Br 34a_100025772652_100000210303 [0,2,0,0,0,0|1,0,0]=3 20197 B13R1.656 CCCNCc1cc(ccc1Cl)C 207a_100020643023_100011551332 [0,2,0,0,0,0|1,0,0]=3 20198 B13R1.656 CCCNCc1cc(ccc1Cl)C 2230a_100025705715_100000210303 [0,2,0,0,0,0|1,0,0]=3 20199 B13R1.656 CCCNCc1cc(ccc1Cl)C 270004a_100020643023_100011551332 [0,2,0,0,0,0|1,0,0]=3 20200 B13R1.656 CCCNCc1cc(ccc1Cl)C 34a_100025705715_100000210303 [0,2,0,0,0,0|1,0,0]=3 20201 B13R1.656 CCCNCc1cc(ccc1Cl)Cl 207a_100020643023_100000746308 [0,2,0,0,0,0|1,0,0]=3 20202 B13R1.656 CCCNCc1cc(ccc1Cl)Cl 270004a_100020643023_100000746308 [0,2,0,0,0,0|1,0,0]=3 20203 B13R1.656 CCCNCc1cc(ccc1Cl)Cl 34a_100102946428_100000210303 [0,2,0,0,0,0|1,0,0]=3 20204 B13R1.656 CCCNCc1cc(ccc1Cl)F 207a_100020643023_100011218309 [0,2,0,0,0,0|1,0,0]=3 20205 B13R1.656 CCCNCc1cc(ccc1Cl)F 2230a_100011830483_100000210303 [0,2,0,0,0,0|1,0,0]=3 20206 B13R1.656 CCCNCc1cc(ccc1Cl)F 270004a_100020643023_100011218309 [0,2,0,0,0,0|1,0,0]=3 20207 B13R1.656 CCCNCc1cc(ccc1Cl)F 34a_100011830483_100000210303 [0,2,0,0,0,0|1,0,0]=3 20208 B13R1.656 CCCNCc1cc(ccc1Cl)I 207a_100020643023_100010254384 [0,2,0,0,0,0|1,0,0]=3 20209 B13R1.656 CCCNCc1cc(ccc1F)Br 207a_100020643023_100000211465 [0,2,0,0,0,0|1,1,0]=4 20210 B13R1.656 CCCNCc1cc(ccc1F)Br 270004a_100020643023_100000211465 [0,2,0,0,0,0|1,1,0]=4 20211 B13R1.656 CCCNCc1cc(ccc1F)Br 34a_100009815772_100000210303 [0,2,0,0,0,0|1,1,0]=4 20212 B13R1.656 CCCNCc1cc(ccc1F)C 207a_100020643023_100000756917 [0,2,0,0,0,0|1,1,0]=4 20213 B13R1.656 CCCNCc1cc(ccc1F)C 270004a_100020643023_100000756917 [0,2,0,0,0,0|1,1,0]=4 20214 B13R1.656 CCCNCc1cc(ccc1F)C 34a_100102693586_100000210303 [0,2,0,0,0,0|1,1,0]=4 20215 B13R1.656 CCCNCc1cc(ccc1F)Cl 207a_100020643023_100000745245 [0,2,0,0,0,0|1,1,0]=4 20216 B13R1.656 CCCNCc1cc(ccc1F)Cl 270004a_100020643023_100000745245 [0,2,0,0,0,0|1,1,0]=4 20217 B13R1.656 CCCNCc1cc(ccc1F)Cl 34a_100011211646_100000210303 [0,2,0,0,0,0|1,1,0]=4 20218 B13R1.656 CCCNCc1cc(ccc1F)F 207a_100020643023_100000740046 [0,2,0,0,0,0|1,1,0]=4 20219 B13R1.656 CCCNCc1cc(ccc1F)F 270004a_100020643023_100000740046 [0,2,0,0,0,0|1,1,0]=4 20220 B13R1.656 CCCNCc1cc(ccc1F)F 34a_100000752317_100000210303 [0,2,0,0,0,0|1,1,0]=4 20221 B13R1.656 CCCNCc1cc(ccc1F)I 207a_100020643023_100000050626 [0,2,0,0,0,0|1,1,0]=4 20222 B13R1.656 CCCNCc1cc(ccc1I)Br 207a_100020643023_100010185651 [0,2,0,0,0,0|1,1,0]=4 20223 B13R1.656 CCCNCc1cc(ccc1I)Br 270004a_100020643023_100010185651 [0,2,0,0,0,0|1,1,0]=4 20224 B13R1.656 CCCNCc1cc(ccc1I)C 207a_100020643023_100010150105 [0,2,0,0,0,0|1,1,0]=4 20225 B13R1.656 CCCNCc1cc(ccc1I)C 270004a_100020643023_100010150105 [0,2,0,0,0,0|1,1,0]=4 20226 B13R1.656 CCCNCc1cc(ccc1I)Cl 207a_100020643023_100010254386 [0,2,0,0,0,0|1,1,0]=4 20227 B13R1.656 CCCNCc1cc(ccc1I)Cl 270004a_100020643023_100010254386 [0,2,0,0,0,0|1,1,0]=4 20228 B13R1.656 CCCNCc1cc(ccc1I)F 207a_100020643023_100010186294 [0,2,0,0,0,0|1,1,0]=4 20229 B13R1.656 CCCNCc1cc(ccc1I)F 270004a_100020643023_100010186294 [0,2,0,0,0,0|1,1,0]=4 20230 B13R1.656 CCCNCc1cc(ccc1O)Br 34a_100000730032_100000210303 [0,2,0,0,0,0|2,0,0]=4 20231 B13R1.656 CCCNCc1cc(ccc1O)Cl 34a_100000238540_100000210303 [0,2,0,0,0,0|2,0,0]=4 20232 B13R1.656 CCCNCc1cc(cnc1Cl)Br 207a_100020643023_100009816941 [0,2,0,0,0,0|2,0,0]=4 20233 B13R1.656 CCCNCc1cc(cnc1Cl)C 207a_100020643023_100000050350 [0,2,0,0,0,0|2,0,0]=4 20234 B13R1.656 CCCNCc1cc(cnc1Cl)Cl 207a_100020643023_100000086932 [0,2,0,0,0,0|2,0,0]=4 20235 B13R1.656 CCCNCc1cc(cnc1Cl)F 207a_100020643023_100000079965 [0,2,0,0,0,0|2,0,0]=4 20236 B13R1.656 CCCNCc1cc(ncc1Cl)Br 270004a_100020643023_100010214479 [0,2,0,0,0,0|2,0,0]=4 20237 B13R1.656 CCCNCc1cc(ncc1Cl)Cl 270004a_100020643023_100000050890 [0,2,0,0,0,0|2,0,0]=4 20238 B13R1.656 CCCNCc1nc(ccc1Cl)Cl 270004a_100020643023_100011935248 [0,2,0,0,0,0|2,0,0]=4 20239 B13R1.656 CCCOCc1cc(ccc1Br)Br 34a_100000210258_100011982794 [0,2,0,0,0,0|1,1,0]=4 20240 B13R1.656 CCCOCc1cc(ccc1Br)Br 34a_100011266457_100000210303 [0,2,0,0,0,0|1,1,0]=4 20241 B13R1.656 CCCOCc1cc(ccc1Br)Br 7a_100011266457_100000210303 [0,2,0,0,0,0|1,1,0]=4 20242 B13R1.656 CCCOCc1cc(ccc1Br)C 34a_100012361352_100000210303 [0,2,0,0,0,0|1,1,0]=4 20243 B13R1.656 CCCOCc1cc(ccc1Br)C 7a_100012361352_100000210303 [0,2,0,0,0,0|1,1,0]=4 20244 B13R1.656 CCCOCc1cc(ccc1Br)Cl 34a_100000210258_100000733903 [0,2,0,0,0,0|1,1,0]=4 20245 B13R1.656 CCCOCc1cc(ccc1Br)Cl 34a_100012355668_100000210303 [0,2,0,0,0,0|1,1,0]=4 20246 B13R1.656 CCCOCc1cc(ccc1Br)Cl 7a_100012355668_100000210303 [0,2,0,0,0,0|1,1,0]=4 20247 B13R1.656 CCCOCc1cc(ccc1Br)F 34a_100000210258_100000736370 [0,2,0,0,0,0|1,1,0]=4 20248 B13R1.656 CCCOCc1cc(ccc1Br)F 34a_100011217561_100000210303 [0,2,0,0,0,0|1,1,0]=4 20249 B13R1.656 CCCOCc1cc(ccc1Br)F 7a_100011217561_100000210303 [0,2,0,0,0,0|1,1,0]=4 20250 B13R1.656 CCCOCc1cc(ccc1Br)I 34a_100000210258_100012355412 [0,2,0,0,0,0|1,1,0]=4 20251 B13R1.656 CCCOCc1cc(ccc1Br)I 7a_100012359683_100000210303 [0,2,0,0,0,0|1,1,0]=4 20252 B13R1.656 CCCOCc1cc(ccc1Br)N 34a_100012347228_100000210303 [0,2,0,0,0,0|1,1,0]=4 20253 B13R1.656 CCCOCc1cc(ccc1C)Br 34a_100000700630_100000210303 [0,2,0,0,0,0|2,0,0]=4 20254 B13R1.656 CCCOCc1cc(ccc1C)Br 7a_100000700630_100000210303 [0,2,0,0,0,0|2,0,0]=4 20255 B13R1.656 CCCOCc1cc(ccc1C)C 34a_100000210258_100000184699 [0,2,0,0,0,0|2,0,0]=4 20256 B13R1.656 CCCOCc1cc(ccc1C)C 34a_200011215349_100000210303 [0,2,0,0,0,0|2,0,0]=4 20257 B13R1.656 CCCOCc1cc(ccc1C)C 7a_200011215349_100000210303 [0,2,0,0,0,0|2,0,0]=4 20258 B13R1.656 CCCOCc1cc(ccc1C)Cl 34a_100000210258_100012186985 [0,2,0,0,0,0|2,0,0]=4 20259 B13R1.656 CCCOCc1cc(ccc1C)Cl 34a_100012002407_100000210303 [0,2,0,0,0,0|2,0,0]=4 20260 B13R1.656 CCCOCc1cc(ccc1C)Cl 7a_100012002407_100000210303 [0,2,0,0,0,0|2,0,0]=4 20261 B13R1.656 CCCOCc1cc(ccc1C)F 34a_100000210258_100000709795 [0,2,0,0,0,0|2,0,0]=4 20262 B13R1.656 CCCOCc1cc(ccc1C)F 34a_100011219218_100000210303 [0,2,0,0,0,0|2,0,0]=4 20263 B13R1.656 CCCOCc1cc(ccc1C)F 7a_100011219218_100000210303 [0,2,0,0,0,0|2,0,0]=4 20264 B13R1.656 CCCOCc1cc(ccc1C)I 34a_100010150140_100000210303 [0,2,0,0,0,0|2,0,0]=4 20265 B13R1.656 CCCOCc1cc(ccc1C)I 7a_100010150140_100000210303 [0,2,0,0,0,0|2,0,0]=4 20266 B13R1.656 CCCOCc1cc(ccc1Cl)Br 34a_100000210258_100000763347 [0,2,0,0,0,0|1,0,0]=3 20267 B13R1.656 CCCOCc1cc(ccc1Cl)Br 34a_100011215897_100000210303 [0,2,0,0,0,0|1,0,0]=3 20268 B13R1.656 CCCOCc1cc(ccc1Cl)Br 7a_100011215897_100000210303 [0,2,0,0,0,0|1,0,0]=3 20269 B13R1.656 CCCOCc1cc(ccc1Cl)C 34a_100000210258_100009871730 [0,2,0,0,0,0|1,0,0]=3 20270 B13R1.656 CCCOCc1cc(ccc1Cl)C 34a_100009878994_100000210303 [0,2,0,0,0,0|1,0,0]=3 20271 B13R1.656 CCCOCc1cc(ccc1Cl)C 7a_100009878994_100000210303 [0,2,0,0,0,0|1,0,0]=3 20272 B13R1.656 CCCOCc1cc(ccc1Cl)Cl 34a_100000210258_100000756322 [0,2,0,0,0,0|1,0,0]=3 20273 B13R1.656 CCCOCc1cc(ccc1Cl)Cl 34a_100000698905_100000210303 [0,2,0,0,0,0|1,0,0]=3 20274 B13R1.656 CCCOCc1cc(ccc1Cl)Cl 7a_100000698905_100000210303 [0,2,0,0,0,0|1,0,0]=3 20275 B13R1.656 CCCOCc1cc(ccc1Cl)F 34a_100000210258_100000709952 [0,2,0,0,0,0|1,0,0]=3 20276 B13R1.656 CCCOCc1cc(ccc1Cl)F 34a_100011218361_100000210303 [0,2,0,0,0,0|1,0,0]=3 20277 B13R1.656 CCCOCc1cc(ccc1Cl)F 7a_100011218361_100000210303 [0,2,0,0,0,0|1,0,0]=3 20278 B13R1.656 CCCOCc1cc(ccc1Cl)I 34a_100000210258_100010188191 [0,2,0,0,0,0|1,0,0]=3 20279 B13R1.656 CCCOCc1cc(ccc1Cl)I 34a_100010128486_100000210303 [0,2,0,0,0,0|1,0,0]=3 20280 B13R1.656 CCCOCc1cc(ccc1Cl)I 7a_100010128486_100000210303 [0,2,0,0,0,0|1,0,0]=3 20281 B13R1.656 CCCOCc1cc(ccc1Cl)N 34a_100011273577_100000210303 [0,2,0,0,0,0|1,0,0]=3 20282 B13R1.656 CCCOCc1cc(ccc1F)Br 34a_100000210258_100000736399 [0,2,0,0,0,0|1,1,0]=4 20283 B13R1.656 CCCOCc1cc(ccc1F)Br 34a_100000246282_100000210303 [0,2,0,0,0,0|1,1,0]=4 20284 B13R1.656 CCCOCc1cc(ccc1F)Br 7a_100000246282_100000210303 [0,2,0,0,0,0|1,1,0]=4 20285 B13R1.656 CCCOCc1cc(ccc1F)C 34a_100000210258_100011260760 [0,2,0,0,0,0|1,1,0]=4 20286 B13R1.656 CCCOCc1cc(ccc1F)C 34a_100011692775_100000210303 [0,2,0,0,0,0|1,1,0]=4 20287 B13R1.656 CCCOCc1cc(ccc1F)C 7a_100011692775_100000210303 [0,2,0,0,0,0|1,1,0]=4 20288 B13R1.656 CCCOCc1cc(ccc1F)Cl 34a_100000210258_100000716957 [0,2,0,0,0,0|1,1,0]=4 20289 B13R1.656 CCCOCc1cc(ccc1F)Cl 34a_100011217248_100000210303 [0,2,0,0,0,0|1,1,0]=4 20290 B13R1.656 CCCOCc1cc(ccc1F)Cl 7a_100011217248_100000210303 [0,2,0,0,0,0|1,1,0]=4 20291 B13R1.656 CCCOCc1cc(ccc1F)F 34a_100000210258_100000741279 [0,2,0,0,0,0|1,1,0]=4 20292 B13R1.656 CCCOCc1cc(ccc1F)F 34a_100011217725_100000210303 [0,2,0,0,0,0|1,1,0]=4 20293 B13R1.656 CCCOCc1cc(ccc1F)F 7a_100011217725_100000210303 [0,2,0,0,0,0|1,1,0]=4 20294 B13R1.656 CCCOCc1cc(ccc1F)I 34a_100000049604_100000210303 [0,2,0,0,0,0|1,1,0]=4 20295 B13R1.656 CCCOCc1cc(ccc1F)I 34a_100000210258_200010149601 [0,2,0,0,0,0|1,1,0]=4 20296 B13R1.656 CCCOCc1cc(ccc1F)I 7a_100000049604_100000210303 [0,2,0,0,0,0|1,1,0]=4 20297 B13R1.656 CCCOCc1cc(ccc1F)N 34a_100011218011_100000210303 [0,2,0,0,0,0|1,1,0]=4 20298 B13R1.656 CCCOCc1cc(ccc1I)Br 34a_100000210258_100012362523 [0,2,0,0,0,0|1,1,0]=4 20299 B13R1.656 CCCOCc1cc(ccc1I)Br 34a_100011356890_100000210303 [0,2,0,0,0,0|1,1,0]=4 20300 B13R1.656 CCCOCc1cc(ccc1I)Br 7a_100011356890_100000210303 [0,2,0,0,0,0|1,1,0]=4 20301 B13R1.656 CCCOCc1cc(ccc1I)Cl 34a_100000210258_100012348826 [0,2,0,0,0,0|1,1,0]=4 20302 B13R1.656 CCCOCc1cc(ccc1I)F 34a_100000210258_100010149606 [0,2,0,0,0,0|1,1,0]=4 20303 B13R1.656 CCCOCc1cc(ccc1I)F 34a_100010255287_100000210303 [0,2,0,0,0,0|1,1,0]=4 20304 B13R1.656 CCCOCc1cc(ccc1I)F 7a_100010255287_100000210303 [0,2,0,0,0,0|1,1,0]=4 20305 B13R1.656 CCCOCc1cc(ccc1N)Br 34a_100012353972_100000210303 [0,2,0,0,0,0|2,0,0]=4 20306 B13R1.656 CCCOCc1cc(ccc1N)Br 7a_100012353972_100000210303 [0,2,0,0,0,0|2,0,0]=4 20307 B13R1.656 CCCOCc1cc(ccc1N)C 34a_100011215565_100000210303 [0,2,0,0,0,0|2,0,0]=4 20308 B13R1.656 CCCOCc1cc(ccc1N)C 7a_100011215565_100000210303 [0,2,0,0,0,0|2,0,0]=4 20309 B13R1.656 CCCOCc1cc(ccc1N)Cl 34a_100011214999_100000210303 [0,2,0,0,0,0|2,0,0]=4 20310 B13R1.656 CCCOCc1cc(ccc1N)Cl 7a_100011214999_100000210303 [0,2,0,0,0,0|2,0,0]=4 20311 B13R1.656 CCCOCc1cc(ccc1N)F 34a_100011296978_100000210303 [0,2,0,0,0,0|2,0,0]=4 20312 B13R1.656 CCCOCc1cc(ccc1N)F 7a_100011296978_100000210303 [0,2,0,0,0,0|2,0,0]=4 20313 B13R1.656 CCCOCc1cc(ccc1O)F 34a_100000210258_100010161318 [0,2,0,0,0,0|2,0,0]=4 20314 B13R1.656 CCCOCc1cc(cnc1Cl)Br 34a_100000210258_100009816982 [0,2,0,0,0,0|2,0,0]=4 20315 B13R1.656 CCCOCc1cc(cnc1Cl)Br 34a_100000734252_100000210303 [0,2,0,0,0,0|2,0,0]=4 20316 B13R1.656 CCCOCc1cc(cnc1Cl)Br 7a_100000734252_100000210303 [0,2,0,0,0,0|2,0,0]=4 20317 B13R1.656 CCCOCc1cc(cnc1Cl)C 34a_100000118064_100000210303 [0,2,0,0,0,0|2,0,0]=4 20318 B13R1.656 CCCOCc1cc(cnc1Cl)C 7a_100000118064_100000210303 [0,2,0,0,0,0|2,0,0]=4 20319 B13R1.656 CCCOCc1cc(cnc1Cl)Cl 34a_100000084153_100000210303 [0,2,0,0,0,0|2,0,0]=4 20320 B13R1.656 CCCOCc1cc(cnc1Cl)Cl 7a_100000084153_100000210303 [0,2,0,0,0,0|2,0,0]=4 20321 B13R1.656 CCCOCc1cc(cnc1Cl)F 34a_100000079972_100000210303 [0,2,0,0,0,0|2,0,0]=4 20322 B13R1.656 CCCOCc1cc(cnc1Cl)F 7a_100000079972_100000210303 [0,2,0,0,0,0|2,0,0]=4 20323 B13R1.656 CCCOCc1cc(ncc1Cl)Cl 34a_100000081519_100000210303 [0,2,0,0,0,0|2,0,0]=4 20324 B13R1.656 CCCOCc1cc(ncc1Cl)Cl 7a_100000081519_100000210303 [0,2,0,0,0,0|2,0,0]=4 20325 B13R1.656 CCCOCc1nc(ccc1Cl)C 34a_100000210258_200009852033 [0,2,0,0,0,0|2,0,0]=4 20326 B13R1.656 CCCOCc1nc(ccc1Cl)Cl 34a_100000210258_100000059412 [0,2,0,0,0,0|2,0,0]=4 20327 B13R1.656 CCCOCc1nc(ccc1Cl)Cl 34a_100000749784_100000210303 [0,2,0,0,0,0|2,0,0]=4 20328 B13R1.656 CCCSCc1cc(ccc1Br)Br 62a_100000210303_100011982794 [0,2,0,0,0,0|1,1,0]=4 20329 B13R1.656 CCCSCc1cc(ccc1Br)Br 62a_100011982794_100000210303 [0,2,0,0,0,0|1,1,0]=4 20330 B13R1.656 CCCSCc1cc(ccc1Br)Cl 62a_100000210303_100000733903 [0,2,0,0,0,0|1,1,0]=4 20331 B13R1.656 CCCSCc1cc(ccc1Br)Cl 62a_100000733903_100000210303 [0,2,0,0,0,0|1,1,0]=4 20332 B13R1.656 CCCSCc1cc(ccc1Br)F 62a_100000210303_100000736370 [0,2,0,0,0,0|1,1,0]=4 20333 B13R1.656 CCCSCc1cc(ccc1Br)F 62a_100000736370_100000210303 [0,2,0,0,0,0|1,1,0]=4 20334 B13R1.656 CCCSCc1cc(ccc1Br)I 62a_100000210303_100012355412 [0,2,0,0,0,0|1,1,0]=4 20335 B13R1.656 CCCSCc1cc(ccc1Br)I 62a_100012355412_100000210303 [0,2,0,0,0,0|1,1,0]=4 20336 B13R1.656 CCCSCc1cc(ccc1C)C 62a_100000184699_100000210303 [0,2,0,0,0,0|2,0,0]=4 20337 B13R1.656 CCCSCc1cc(ccc1C)C 62a_100000210303_100000184699 [0,2,0,0,0,0|2,0,0]=4 20338 B13R1.656 CCCSCc1cc(ccc1C)Cl 62a_100000210303_100012186985 [0,2,0,0,0,0|2,0,0]=4 20339 B13R1.656 CCCSCc1cc(ccc1C)Cl 62a_100012186985_100000210303 [0,2,0,0,0,0|2,0,0]=4 20340 B13R1.656 CCCSCc1cc(ccc1C)F 62a_100000210303_100000709795 [0,2,0,0,0,0|2,0,0]=4 20341 B13R1.656 CCCSCc1cc(ccc1C)F 62a_100000709795_100000210303 [0,2,0,0,0,0|2,0,0]=4 20342 B13R1.656 CCCSCc1cc(ccc1Cl)Br 62a_100000210303_100000763347 [0,2,0,0,0,0|1,0,0]=3 20343 B13R1.656 CCCSCc1cc(ccc1Cl)Br 62a_100000763347_100000210303 [0,2,0,0,0,0|1,0,0]=3 20344 B13R1.656 CCCSCc1cc(ccc1Cl)C 62a_100000210303_100009871730 [0,2,0,0,0,0|1,0,0]=3 20345 B13R1.656 CCCSCc1cc(ccc1Cl)C 62a_100009871730_100000210303 [0,2,0,0,0,0|1,0,0]=3 20346 B13R1.656 CCCSCc1cc(ccc1Cl)Cl 62a_100000210303_100000756322 [0,2,0,0,0,0|1,0,0]=3 20347 B13R1.656 CCCSCc1cc(ccc1Cl)Cl 62a_100000756322_100000210303 [0,2,0,0,0,0|1,0,0]=3 20348 B13R1.656 CCCSCc1cc(ccc1Cl)F 62a_100000210303_100000709952 [0,2,0,0,0,0|1,0,0]=3 20349 B13R1.656 CCCSCc1cc(ccc1Cl)F 62a_100000709952_100000210303 [0,2,0,0,0,0|1,0,0]=3 20350 B13R1.656 CCCSCc1cc(ccc1Cl)I 62a_100000210303_100010188191 [0,2,0,0,0,0|1,0,0]=3 20351 B13R1.656 CCCSCc1cc(ccc1Cl)I 62a_100010188191_100000210303 [0,2,0,0,0,0|1,0,0]=3 20352 B13R1.656 CCCSCc1cc(ccc1F)Br 62a_100000210303_100000736399 [0,2,0,0,0,0|1,1,0]=4 20353 B13R1.656 CCCSCc1cc(ccc1F)Br 62a_100000736399_100000210303 [0,2,0,0,0,0|1,1,0]=4 20354 B13R1.656 CCCSCc1cc(ccc1F)C 62a_100000210303_100011260760 [0,2,0,0,0,0|1,1,0]=4 20355 B13R1.656 CCCSCc1cc(ccc1F)C 62a_100011260760_100000210303 [0,2,0,0,0,0|1,1,0]=4 20356 B13R1.656 CCCSCc1cc(ccc1F)Cl 62a_100000210303_100000716957 [0,2,0,0,0,0|1,1,0]=4 20357 B13R1.656 CCCSCc1cc(ccc1F)Cl 62a_100000716957_100000210303 [0,2,0,0,0,0|1,1,0]=4 20358 B13R1.656 CCCSCc1cc(ccc1F)F 62a_100000210303_100000685659 [0,2,0,0,0,0|1,1,0]=4 20359 B13R1.656 CCCSCc1cc(ccc1F)F 62a_100000685659_100000210303 [0,2,0,0,0,0|1,1,0]=4 20360 B13R1.656 CCCSCc1cc(ccc1F)I 62a_100000210303_200010149601 [0,2,0,0,0,0|1,1,0]=4 20361 B13R1.656 CCCSCc1cc(ccc1F)I 62a_200010149601_100000210303 [0,2,0,0,0,0|1,1,0]=4 20362 B13R1.656 CCCSCc1cc(ccc1I)Br 62a_100000210303_100012362523 [0,2,0,0,0,0|1,1,0]=4 20363 B13R1.656 CCCSCc1cc(ccc1I)Br 62a_100012362523_100000210303 [0,2,0,0,0,0|1,1,0]=4 20364 B13R1.656 CCCSCc1cc(ccc1I)Cl 62a_100000210303_100012348826 [0,2,0,0,0,0|1,1,0]=4 20365 B13R1.656 CCCSCc1cc(ccc1I)Cl 62a_100012348826_100000210303 [0,2,0,0,0,0|1,1,0]=4 20366 B13R1.656 CCCSCc1cc(ccc1I)F 62a_100000210303_100010149606 [0,2,0,0,0,0|1,1,0]=4 20367 B13R1.656 CCCSCc1cc(ccc1I)F 62a_100010149606_100000210303 [0,2,0,0,0,0|1,1,0]=4 20368 B13R1.656 CCCSCc1cc(ccc1O)F 62a_100000210303_100010161318 [0,2,0,0,0,0|2,0,0]=4 20369 B13R1.656 CCCSCc1cc(ccc1O)F 62a_100010161318_100000210303 [0,2,0,0,0,0|2,0,0]=4 20370 B13R1.656 CCCSCc1cc(cnc1Cl)Br 62a_100000210303_100009816982 [0,2,0,0,0,0|2,0,0]=4 20371 B13R1.656 CCCSCc1cc(cnc1Cl)Br 62a_100009816982_100000210303 [0,2,0,0,0,0|2,0,0]=4 20372 B13R1.656 CCCSCc1nc(ccc1Cl)C 62a_100000210303_200009852033 [0,2,0,0,0,0|2,0,0]=4 20373 B13R1.656 CCCSCc1nc(ccc1Cl)C 62a_200009852033_100000210303 [0,2,0,0,0,0|2,0,0]=4 20374 B13R1.656 CCCSCc1nc(ccc1Cl)Cl 62a_100000059412_100000210303 [0,2,0,0,0,0|2,0,0]=4 20375 B13R1.656 CCCSCc1nc(ccc1Cl)Cl 62a_100000210303_100000059412 [0,2,0,0,0,0|2,0,0]=4 20376 B13R1.656 CCNCCc1cc(ccc1C)C 2230a_200011485678_100000210202 [0,2,0,0,0,0|1,0,0]=3 20377 B13R1.656 CCNCCc1cc(ccc1C)C 34a_200011485678_100000210202 [0,2,0,0,0,0|1,0,0]=3 20378 B13R1.656 CCNCCc1cc(ccc1Cl)Cl 2230a_100000705354_100000210202 [0,2,0,0,0,0|0,0,0]=2 20379 B13R1.656 CCNCCc1cc(ccc1Cl)Cl 34a_100000705354_100000210202 [0,2,0,0,0,0|0,0,0]=2 20380 B13R1.656 CCNCCc1cc(ccc1F)Cl 2230a_200011997525_100000210202 [0,2,0,0,0,0|0,1,0]=3 20381 B13R1.656 CCNCCc1cc(ccc1F)Cl 34a_200011997525_100000210202 [0,2,0,0,0,0|0,1,0]=3 20382 B13R1.656 CCNCCc1cc(ccc1F)F 2230a_100015525214_100011755056 [0,2,0,0,0,0|0,1,0]=3 20383 B13R1.656 CCNN=Cc1cc(ccc1Cl)Br 4a_100000756455_100000746309 [0,2,0,0,0,0|1,0,1]=4 20384 B13R1.656 CCNN=Cc1cc(ccc1Cl)C 4a_100000756455_100011551332 [0,2,0,0,0,0|1,0,1]=4 20385 B13R1.656 CCNN=Cc1cc(ccc1Cl)Cl 4a_100000756455_100000746308 [0,2,0,0,0,0|1,0,1]=4 20386 B13R1.656 CCNN=Cc1cc(ccc1Cl)F 4a_100000756455_100011218309 [0,2,0,0,0,0|1,0,1]=4 20387 B13R1.656 CCNN=Cc1cc(ccc1Cl)I 4a_100000756455_100010254384 [0,2,0,0,0,0|1,0,1]=4 20388 B13R1.656 CCNN=Cc1cc(ccc1Cl)O 4a_100000756455_100000050362 [0,2,0,0,0,0|1,0,1]=4 20389 B13R1.656 CCOCCc1cc(ccc1Br)Cl 34a_100012426913_100000210202 [0,2,0,0,0,0|1,1,0]=4 20390 B13R1.656 CCOCCc1cc(ccc1Br)Cl 7a_100012426913_100000210202 [0,2,0,0,0,0|1,1,0]=4 20391 B13R1.656 CCOCCc1cc(ccc1C)C 34a_100011694955_100000210202 [0,2,0,0,0,0|2,0,0]=4 20392 B13R1.656 CCOCCc1cc(ccc1C)C 7a_100011694955_100000210202 [0,2,0,0,0,0|2,0,0]=4 20393 B13R1.656 CCOCCc1cc(ccc1Cl)Cl 34a_100011754359_100000210202 [0,2,0,0,0,0|1,0,0]=3 20394 B13R1.656 CCOCCc1cc(ccc1Cl)Cl 7a_100011754359_100000210202 [0,2,0,0,0,0|1,0,0]=3 20395 B13R1.656 CCOCCc1cc(ccc1F)F 34a_100011755048_100000210202 [0,2,0,0,0,0|1,1,0]=4 20396 B13R1.656 CCOCCc1cc(ccc1F)F 34a_100121572206_100011755056 [0,2,0,0,0,0|1,1,0]=4 20397 B13R1.656 CCOCCc1cc(ccc1F)F 7a_100011755048_100000210202 [0,2,0,0,0,0|1,1,0]=4 20398 B13R1.656 CCOCSc1cc(ccc1Cl)Br 62a_100000739092_100011772130 [0,2,0,0,0,0|2,0,0]=4 20399 B13R1.656 CCOCSc1cc(ccc1Cl)Br 62a_100011772130_100000739092 [0,2,0,0,0,0|2,0,0]=4 20400 B13R1.656 CCOCSc1cc(ccc1Cl)C 62a_100000739092_100012356289 [0,2,0,0,0,0|2,0,0]=4 20401 B13R1.656 CCOCSc1cc(ccc1Cl)C 62a_100012356289_100000739092 [0,2,0,0,0,0|2,0,0]=4 20402 B13R1.656 CCOCSc1cc(ccc1Cl)Cl 62a_100000707729_100000739092 [0,2,0,0,0,0|2,0,0]=4 20403 B13R1.656 CCOCSc1cc(ccc1Cl)Cl 62a_100000739092_100000707729 [0,2,0,0,0,0|2,0,0]=4 20404 B13R1.656 CCOCSc1cc(ccc1Cl)F 62a_100000739092_100011217299 [0,2,0,0,0,0|2,0,0]=4 20405 B13R1.656 CCOCSc1cc(ccc1Cl)F 62a_100011217299_100000739092 [0,2,0,0,0,0|2,0,0]=4 20406 B13R1.656 CCOCSc1cc(ccc1Cl)N 62a_100000739092_100012360549 [0,2,0,0,0,0|2,0,0]=4 20407 B13R1.656 CCOCSc1cc(ccc1Cl)N 62a_100012360549_100000739092 [0,2,0,0,0,0|2,0,0]=4 20408 B13R1.656 CCOCSc1cc(ccc1Cl)O 62a_100000049588_100000739092 [0,2,0,0,0,0|2,0,0]=4 20409 B13R1.656 CCOCSc1cc(ccc1Cl)O 62a_100000739092_100000049588 [0,2,0,0,0,0|2,0,0]=4 20410 B13R1.656 CCSCCc1cc(ccc1F)F 62a_100000210202_100011755056 [0,2,0,0,0,0|1,1,0]=4 20411 B13R1.656 CCSCCc1cc(ccc1F)F 62a_100011755056_100000210202 [0,2,0,0,0,0|1,1,0]=4 20412 B13R1.656 CNCCOc1cc(ccc1C)C 2230a_100015184080_200000210301 [0,2,0,0,0,0|1,0,0]=3 20413 B13R1.656 CNCCOc1cc(ccc1C)C 34a_100015184080_200000210301 [0,2,0,0,0,0|1,0,0]=3 20414 B13R1.656 CNCCOc1cc(ccc1Cl)C 2230a_106832991635_100011277402 [0,2,0,0,0,0|0,0,0]=2 20415 B13R1.656 CNCCOc1cc(ccc1Cl)C 34a_100102657272_100011277402 [0,2,0,0,0,0|0,0,0]=2 20416 B13R1.656 CNCCOc1cc(ccc1Cl)C 7a_106832991635_100011277402 [0,2,0,0,0,0|0,0,0]=2 20417 B13R1.656 CNCCOc1cc(ccc1Cl)Cl 2230a_100025745517_200000210301 [0,2,0,0,0,0|0,0,0]=2 20418 B13R1.656 CNCCOc1cc(ccc1Cl)Cl 2230a_106832991635_100000198575 [0,2,0,0,0,0|0,0,0]=2 20419 B13R1.656 CNCCOc1cc(ccc1Cl)Cl 34a_100025745517_200000210301 [0,2,0,0,0,0|0,0,0]=2 20420 B13R1.656 CNCCOc1cc(ccc1Cl)Cl 34a_100102657272_100000198575 [0,2,0,0,0,0|0,0,0]=2 20421 B13R1.656 CNCCOc1cc(ccc1Cl)Cl 7a_106832991635_100000198575 [0,2,0,0,0,0|0,0,0]=2 20422 B13R1.656 CNCCSc1cc(ccc1Cl)Cl 2230a_106832991635_100000180180 [0,2,0,0,0,0|0,0,0]=2 20423 B13R1.656 CNCCSc1cc(ccc1Cl)Cl 7a_106832991635_100000180180 [0,2,0,0,0,0|0,0,0]=2 20424 B13R1.656 COCC=Cc1cc(ccc1Cl)Br 271570a_100016286323_100011772130 [0,2,0,0,0,0|1,0,1]=4 20425 B13R1.656 COCC=Cc1cc(ccc1Cl)C 271570a_100016286323_100012356289 [0,2,0,0,0,0|1,0,1]=4 20426 B13R1.656 COCC=Cc1cc(ccc1Cl)Cl 271570a_100016286323_100000707729 [0,2,0,0,0,0|1,0,1]=4 20427 B13R1.656 COCC=Cc1cc(ccc1Cl)F 271570a_100016286323_100011217299 [0,2,0,0,0,0|1,0,1]=4 20428 B13R1.656 COCC=Cc1cc(ccc1Cl)N 271570a_100016286323_100012360549 [0,2,0,0,0,0|1,0,1]=4 20429 B13R1.656 COCC=Cc1cc(ccc1Cl)O 271570a_100016286323_100000049588 [0,2,0,0,0,0|1,0,1]=4 20430 B13R1.656 COCCNc1cc(ccc1Br)Br 34a_100000737762_100011201679 [0,2,0,0,0,0|1,1,0]=4 20431 B13R1.656 COCCNc1cc(ccc1Br)C 34a_100000745044_100011201679 [0,2,0,0,0,0|1,1,0]=4 20432 B13R1.656 COCCNc1cc(ccc1Br)Cl 34a_100000687073_100011201679 [0,2,0,0,0,0|1,1,0]=4 20433 B13R1.656 COCCNc1cc(ccc1Br)F 34a_100000687223_100011201679 [0,2,0,0,0,0|1,1,0]=4 20434 B13R1.656 COCCNc1cc(ccc1Br)O 34a_100011999798_100011201679 [0,2,0,0,0,0|1,1,0]=4 20435 B13R1.656 COCCNc1cc(ccc1C)Br 34a_100000741167_100011201679 [0,2,0,0,0,0|2,0,0]=4 20436 B13R1.656 COCCNc1cc(ccc1C)Br 7a_100000741167_100000233755 [0,2,0,0,0,0|2,0,0]=4 20437 B13R1.656 COCCNc1cc(ccc1C)C 2230a_100000185781_100011201679 [0,2,0,0,0,0|2,0,0]=4 20438 B13R1.656 COCCNc1cc(ccc1C)C 34a_100000185781_100011201679 [0,2,0,0,0,0|2,0,0]=4 20439 B13R1.656 COCCNc1cc(ccc1C)C 7a_100000185781_100000233755 [0,2,0,0,0,0|2,0,0]=4 20440 B13R1.656 COCCNc1cc(ccc1C)Cl 34a_100000211374_100011201679 [0,2,0,0,0,0|2,0,0]=4 20441 B13R1.656 COCCNc1cc(ccc1C)Cl 7a_100000211374_100000233755 [0,2,0,0,0,0|2,0,0]=4 20442 B13R1.656 COCCNc1cc(ccc1C)F 34a_100000211107_100011201679 [0,2,0,0,0,0|2,0,0]=4 20443 B13R1.656 COCCNc1cc(ccc1C)F 7a_100000211107_100000233755 [0,2,0,0,0,0|2,0,0]=4 20444 B13R1.656 COCCNc1cc(ccc1C)I 7a_100000761890_100000233755 [0,2,0,0,0,0|2,0,0]=4 20445 B13R1.656 COCCNc1cc(ccc1C)O 34a_100011216113_100011201679 [0,2,0,0,0,0|2,0,0]=4 20446 B13R1.656 COCCNc1cc(ccc1Cl)Br 34a_100000750497_100011201679 [0,2,0,0,0,0|1,0,0]=3 20447 B13R1.656 COCCNc1cc(ccc1Cl)C 34a_100011215360_100011201679 [0,2,0,0,0,0|1,0,0]=3 20448 B13R1.656 COCCNc1cc(ccc1Cl)Cl 34a_100000184485_100011201679 [0,2,0,0,0,0|1,0,0]=3 20449 B13R1.656 COCCNc1cc(ccc1Cl)F 34a_100000751338_100011201679 [0,2,0,0,0,0|1,0,0]=3 20450 B13R1.656 COCCNc1cc(ccc1Cl)I 34a_200000761891_100011201679 [0,2,0,0,0,0|1,0,0]=3 20451 B13R1.656 COCCNc1cc(ccc1Cl)O 34a_100011934297_100011201679 [0,2,0,0,0,0|1,0,0]=3 20452 B13R1.656 COCCNc1cc(ccc1F)Br 34a_100000740924_100011201679 [0,2,0,0,0,0|1,1,0]=4 20453 B13R1.656 COCCNc1cc(ccc1F)C 34a_100000211285_100011201679 [0,2,0,0,0,0|1,1,0]=4 20454 B13R1.656 COCCNc1cc(ccc1F)Cl 34a_100000212115_100011201679 [0,2,0,0,0,0|1,1,0]=4 20455 B13R1.656 COCCNc1cc(ccc1F)F 34a_100000210742_100011201679 [0,2,0,0,0,0|1,1,0]=4 20456 B13R1.656 COCCNc1cc(ccc1F)I 34a_100011464823_100011201679 [0,2,0,0,0,0|1,1,0]=4 20457 B13R1.656 COCCNc1cc(ccc1F)O 34a_100012017239_100011201679 [0,2,0,0,0,0|1,1,0]=4 20458 B13R1.656 COCCNc1cc(ccc1I)Br 34a_100000743836_100011201679 [0,2,0,0,0,0|1,1,0]=4 20459 B13R1.656 COCCNc1cc(ccc1I)C 34a_100011216686_100011201679 [0,2,0,0,0,0|1,1,0]=4 20460 B13R1.656 COCCNc1cc(ccc1I)Cl 34a_100000761886_100011201679 [0,2,0,0,0,0|1,1,0]=4 20461 B13R1.656 COCCNc1cc(ccc1I)F 34a_100011218093_100011201679 [0,2,0,0,0,0|1,1,0]=4 20462 B13R1.656 COCCNc1cc(ccc1O)Br 34a_100000752626_100011201679 [0,2,0,0,0,0|2,0,0]=4 20463 B13R1.656 COCCNc1cc(ccc1O)C 34a_100011215204_100011201679 [0,2,0,0,0,0|2,0,0]=4 20464 B13R1.656 COCCNc1cc(ccc1O)Cl 34a_100000210500_100011201679 [0,2,0,0,0,0|2,0,0]=4 20465 B13R1.656 COCCNc1cc(ccc1O)F 34a_100000759472_100011201679 [0,2,0,0,0,0|2,0,0]=4 20466 B13R1.656 COCCNc1cc(ncc1Cl)F 27a_100000209980_100009892587 [0,2,0,0,0,0|2,0,0]=4 20467 B13R1.656 COCCOc1cc(=O)[nH]cc1Cl 34a_100000069390_100011201679 [0,2,0,0,0,0|2,0,0]=4 20468 B13R1.656 COCCOc1cc(ccc1Br)Br 34a_100011220040_100011201679 [0,2,0,0,0,0|1,1,0]=4 20469 B13R1.656 COCCOc1cc(ccc1Br)Br 7a_100011220040_100000233755 [0,2,0,0,0,0|1,1,0]=4 20470 B13R1.656 COCCOc1cc(ccc1Br)C 34a_100012002257_100011201679 [0,2,0,0,0,0|1,1,0]=4 20471 B13R1.656 COCCOc1cc(ccc1Br)C 7a_100012002257_100000233755 [0,2,0,0,0,0|1,1,0]=4 20472 B13R1.656 COCCOc1cc(ccc1Br)Cl 34a_100012339455_100011201679 [0,2,0,0,0,0|1,1,0]=4 20473 B13R1.656 COCCOc1cc(ccc1Br)Cl 7a_100012339455_100000233755 [0,2,0,0,0,0|1,1,0]=4 20474 B13R1.656 COCCOc1cc(ccc1Br)F 34a_100000690578_100011201679 [0,2,0,0,0,0|1,1,0]=4 20475 B13R1.656 COCCOc1cc(ccc1Br)F 7a_100000690578_100000233755 [0,2,0,0,0,0|1,1,0]=4 20476 B13R1.656 COCCOc1cc(ccc1Br)I 34a_100012356990_100011201679 [0,2,0,0,0,0|1,1,0]=4 20477 B13R1.656 COCCOc1cc(ccc1Br)I 7a_100012356990_100000233755 [0,2,0,0,0,0|1,1,0]=4 20478 B13R1.656 COCCOc1cc(ccc1C)Br 34a_100000685420_100011201679 [0,2,0,0,0,0|2,0,0]=4 20479 B13R1.656 COCCOc1cc(ccc1C)Br 7a_100000685420_100000233755 [0,2,0,0,0,0|2,0,0]=4 20480 B13R1.656 COCCOc1cc(ccc1C)C 34a_100000210931_100011201679 [0,2,0,0,0,0|2,0,0]=4 20481 B13R1.656 COCCOc1cc(ccc1C)C 7a_100000210931_100000233755 [0,2,0,0,0,0|2,0,0]=4 20482 B13R1.656 COCCOc1cc(ccc1C)Cl 34a_100000756515_100011201679 [0,2,0,0,0,0|2,0,0]=4 20483 B13R1.656 COCCOc1cc(ccc1C)Cl 7a_100000756515_100000233755 [0,2,0,0,0,0|2,0,0]=4 20484 B13R1.656 COCCOc1cc(ccc1C)F 34a_100000690566_100011201679 [0,2,0,0,0,0|2,0,0]=4 20485 B13R1.656 COCCOc1cc(ccc1C)F 7a_100000690566_100000233755 [0,2,0,0,0,0|2,0,0]=4 20486 B13R1.656 COCCOc1cc(ccc1C)I 7a_100000766334_100000233755 [0,2,0,0,0,0|2,0,0]=4 20487 B13R1.656 COCCOc1cc(ccc1C)N 34a_100000759471_100011201679 [0,2,0,0,0,0|2,0,0]=4 20488 B13R1.656 COCCOc1cc(ccc1C)N 7a_100000759471_100000233755 [0,2,0,0,0,0|2,0,0]=4 20489 B13R1.656 COCCOc1cc(ccc1C)O 271570a_203496583355_200012344063 [0,2,0,0,0,0|2,0,0]=4 20490 B13R1.656 COCCOc1cc(ccc1Cl)Br 34a_100000738945_100011201679 [0,2,0,0,0,0|1,0,0]=3 20491 B13R1.656 COCCOc1cc(ccc1Cl)Br 7a_100000738945_100000233755 [0,2,0,0,0,0|1,0,0]=3 20492 B13R1.656 COCCOc1cc(ccc1Cl)C 34a_100000211493_100011201679 [0,2,0,0,0,0|1,0,0]=3 20493 B13R1.656 COCCOc1cc(ccc1Cl)C 34a_100138415774_100011277402 [0,2,0,0,0,0|1,0,0]=3 20494 B13R1.656 COCCOc1cc(ccc1Cl)C 7a_100000211493_100000233755 [0,2,0,0,0,0|1,0,0]=3 20495 B13R1.656 COCCOc1cc(ccc1Cl)Cl 34a_100000211422_100011201679 [0,2,0,0,0,0|1,0,0]=3 20496 B13R1.656 COCCOc1cc(ccc1Cl)Cl 34a_100138415774_100000198575 [0,2,0,0,0,0|1,0,0]=3 20497 B13R1.656 COCCOc1cc(ccc1Cl)Cl 7a_100000211422_100000233755 [0,2,0,0,0,0|1,0,0]=3 20498 B13R1.656 COCCOc1cc(ccc1Cl)F 34a_100000692107_100011201679 [0,2,0,0,0,0|1,0,0]=3 20499 B13R1.656 COCCOc1cc(ccc1Cl)F 7a_100000692107_100000233755 [0,2,0,0,0,0|1,0,0]=3 20500 B13R1.656 COCCOc1cc(ccc1Cl)I 34a_100011356854_100011201679 [0,2,0,0,0,0|1,0,0]=3 20501 B13R1.656 COCCOc1cc(ccc1Cl)I 7a_100011356854_100000233755 [0,2,0,0,0,0|1,0,0]=3 20502 B13R1.656 COCCOc1cc(ccc1Cl)N 34a_100011934209_100011201679 [0,2,0,0,0,0|1,0,0]=3 20503 B13R1.656 COCCOc1cc(ccc1F)Br 34a_100000686035_100011201679 [0,2,0,0,0,0|1,1,0]=4 20504 B13R1.656 COCCOc1cc(ccc1F)Br 7a_100000686035_100000233755 [0,2,0,0,0,0|1,1,0]=4 20505 B13R1.656 COCCOc1cc(ccc1F)C 34a_100000759540_100011201679 [0,2,0,0,0,0|1,1,0]=4 20506 B13R1.656 COCCOc1cc(ccc1F)C 7a_100000759540_100000233755 [0,2,0,0,0,0|1,1,0]=4 20507 B13R1.656 COCCOc1cc(ccc1F)Cl 34a_100000757397_100011201679 [0,2,0,0,0,0|1,1,0]=4 20508 B13R1.656 COCCOc1cc(ccc1F)Cl 7a_100000757397_100000233755 [0,2,0,0,0,0|1,1,0]=4 20509 B13R1.656 COCCOc1cc(ccc1F)F 34a_100000752141_100011201679 [0,2,0,0,0,0|1,1,0]=4 20510 B13R1.656 COCCOc1cc(ccc1F)F 7a_100000752141_100000233755 [0,2,0,0,0,0|1,1,0]=4 20511 B13R1.656 COCCOc1cc(ccc1F)I 34a_100009958187_100011201679 [0,2,0,0,0,0|1,1,0]=4 20512 B13R1.656 COCCOc1cc(ccc1F)I 7a_100009958187_100000233755 [0,2,0,0,0,0|1,1,0]=4 20513 B13R1.656 COCCOc1cc(ccc1F)N 34a_100012017398_100011201679 [0,2,0,0,0,0|1,1,0]=4 20514 B13R1.656 COCCOc1cc(ccc1F)N 7a_100012017398_100000233755 [0,2,0,0,0,0|1,1,0]=4 20515 B13R1.656 COCCOc1cc(ccc1I)Br 34a_100012344904_100011201679 [0,2,0,0,0,0|1,1,0]=4 20516 B13R1.656 COCCOc1cc(ccc1I)Br 7a_100012344904_100000233755 [0,2,0,0,0,0|1,1,0]=4 20517 B13R1.656 COCCOc1cc(ccc1I)Cl 34a_100000050036_100011201679 [0,2,0,0,0,0|1,1,0]=4 20518 B13R1.656 COCCOc1cc(ccc1I)Cl 7a_100000050036_100000233755 [0,2,0,0,0,0|1,1,0]=4 20519 B13R1.656 COCCOc1cc(ccc1I)F 34a_100010084537_100011201679 [0,2,0,0,0,0|1,1,0]=4 20520 B13R1.656 COCCOc1cc(ccc1I)F 7a_100010084537_100000233755 [0,2,0,0,0,0|1,1,0]=4 20521 B13R1.656 COCCOc1cc(ccc1N)Br 34a_100000739049_100011201679 [0,2,0,0,0,0|2,0,0]=4 20522 B13R1.656 COCCOc1cc(ccc1N)Br 7a_100000739049_100000233755 [0,2,0,0,0,0|2,0,0]=4 20523 B13R1.656 COCCOc1cc(ccc1N)C 34a_100000211527_100011201679 [0,2,0,0,0,0|2,0,0]=4 20524 B13R1.656 COCCOc1cc(ccc1N)C 7a_100000211527_100000233755 [0,2,0,0,0,0|2,0,0]=4 20525 B13R1.656 COCCOc1cc(ccc1N)Cl 34a_100000185728_100011201679 [0,2,0,0,0,0|2,0,0]=4 20526 B13R1.656 COCCOc1cc(ccc1N)Cl 7a_100000185728_100000233755 [0,2,0,0,0,0|2,0,0]=4 20527 B13R1.656 COCCOc1cc(ccc1N)F 34a_100000753323_100011201679 [0,2,0,0,0,0|2,0,0]=4 20528 B13R1.656 COCCOc1cc(ccc1N)F 7a_100000753323_100000233755 [0,2,0,0,0,0|2,0,0]=4 20529 B13R1.656 COCCOc1cc(ccc1N)I 34a_100000057187_100011201679 [0,2,0,0,0,0|2,0,0]=4 20530 B13R1.656 COCCOc1cc(ccc1N)I 7a_100000057187_100000233755 [0,2,0,0,0,0|2,0,0]=4 20531 B13R1.656 COCCOc1cc(ccc1N)N 34a_100025717382_100011201679 [0,2,0,0,0,0|2,0,0]=4 20532 B13R1.656 COCCOc1cc(cnc1Cl)Br 34a_100012354860_100011201679 [0,2,0,0,0,0|2,0,0]=4 20533 B13R1.656 COCCOc1cc(cnc1Cl)Br 7a_100012354860_100000233755 [0,2,0,0,0,0|2,0,0]=4 20534 B13R1.656 COCCOc1cc(cnc1Cl)C 34a_100012000487_100011201679 [0,2,0,0,0,0|2,0,0]=4 20535 B13R1.656 COCCOc1cc(cnc1Cl)C 7a_100012000487_100000233755 [0,2,0,0,0,0|2,0,0]=4 20536 B13R1.656 COCCOc1cc(cnc1Cl)F 34a_100000079967_100011201679 [0,2,0,0,0,0|2,0,0]=4 20537 B13R1.656 COCCOc1cc(cnc1Cl)F 7a_100000079967_100000233755 [0,2,0,0,0,0|2,0,0]=4 20538 B13R1.656 COCCOc1cc(ncc1Cl)Br 34a_100010173861_100011201679 [0,2,0,0,0,0|2,0,0]=4 20539 B13R1.656 COCCSc1cc(ccc1Br)Br 62a_100000233755_100011483371 [0,2,0,0,0,0|1,1,0]=4 20540 B13R1.656 COCCSc1cc(ccc1Br)Br 62a_100011483371_100000233755 [0,2,0,0,0,0|1,1,0]=4 20541 B13R1.656 COCCSc1cc(ccc1Br)C 62a_100000233755_100012353751 [0,2,0,0,0,0|1,1,0]=4 20542 B13R1.656 COCCSc1cc(ccc1Br)C 62a_100012353751_100000233755 [0,2,0,0,0,0|1,1,0]=4 20543 B13R1.656 COCCSc1cc(ccc1Br)Cl 62a_100000233755_100012339723 [0,2,0,0,0,0|1,1,0]=4 20544 B13R1.656 COCCSc1cc(ccc1Br)Cl 62a_100012339723_100000233755 [0,2,0,0,0,0|1,1,0]=4 20545 B13R1.656 COCCSc1cc(ccc1Br)F 62a_100000233755_100011217576 [0,2,0,0,0,0|1,1,0]=4 20546 B13R1.656 COCCSc1cc(ccc1Br)F 62a_100011217576_100000233755 [0,2,0,0,0,0|1,1,0]=4 20547 B13R1.656 COCCSc1cc(ccc1Br)N 62a_100000233755_100000750459 [0,2,0,0,0,0|1,1,0]=4 20548 B13R1.656 COCCSc1cc(ccc1Br)N 62a_100000750459_100000233755 [0,2,0,0,0,0|1,1,0]=4 20549 B13R1.656 COCCSc1cc(ccc1Br)O 62a_100000233755_100012339312 [0,2,0,0,0,0|1,1,0]=4 20550 B13R1.656 COCCSc1cc(ccc1Br)O 62a_100012339312_100000233755 [0,2,0,0,0,0|1,1,0]=4 20551 B13R1.656 COCCSc1cc(ccc1C)Br 62a_100000233755_100011344865 [0,2,0,0,0,0|2,0,0]=4 20552 B13R1.656 COCCSc1cc(ccc1C)Br 62a_100011344865_100000233755 [0,2,0,0,0,0|2,0,0]=4 20553 B13R1.656 COCCSc1cc(ccc1C)C 62a_100000210833_100000233755 [0,2,0,0,0,0|2,0,0]=4 20554 B13R1.656 COCCSc1cc(ccc1C)C 62a_100000233755_100000210833 [0,2,0,0,0,0|2,0,0]=4 20555 B13R1.656 COCCSc1cc(ccc1C)Cl 62a_100000233755_100011263213 [0,2,0,0,0,0|2,0,0]=4 20556 B13R1.656 COCCSc1cc(ccc1C)Cl 62a_100011263213_100000233755 [0,2,0,0,0,0|2,0,0]=4 20557 B13R1.656 COCCSc1cc(ccc1C)F 62a_100000233755_100011218078 [0,2,0,0,0,0|2,0,0]=4 20558 B13R1.656 COCCSc1cc(ccc1C)F 62a_100011218078_100000233755 [0,2,0,0,0,0|2,0,0]=4 20559 B13R1.656 COCCSc1cc(ccc1C)N 62a_100000233755_100000736455 [0,2,0,0,0,0|2,0,0]=4 20560 B13R1.656 COCCSc1cc(ccc1C)N 62a_100000736455_100000233755 [0,2,0,0,0,0|2,0,0]=4 20561 B13R1.656 COCCSc1cc(ccc1C)O 62a_100000233755_100011380479 [0,2,0,0,0,0|2,0,0]=4 20562 B13R1.656 COCCSc1cc(ccc1C)O 62a_100011380479_100000233755 [0,2,0,0,0,0|2,0,0]=4 20563 B13R1.656 COCCSc1cc(ccc1Cl)Br 62a_100000233755_100011772130 [0,2,0,0,0,0|1,0,0]=3 20564 B13R1.656 COCCSc1cc(ccc1Cl)Br 62a_100011772130_100000233755 [0,2,0,0,0,0|1,0,0]=3 20565 B13R1.656 COCCSc1cc(ccc1Cl)C 62a_100000233755_100012356289 [0,2,0,0,0,0|1,0,0]=3 20566 B13R1.656 COCCSc1cc(ccc1Cl)C 62a_100012356289_100000233755 [0,2,0,0,0,0|1,0,0]=3 20567 B13R1.656 COCCSc1cc(ccc1Cl)Cl 34a_200000230675_200000210301 [0,2,0,0,0,0|1,0,0]=3 20568 B13R1.656 COCCSc1cc(ccc1Cl)Cl 62a_100000233755_100000707729 [0,2,0,0,0,0|1,0,0]=3 20569 B13R1.656 COCCSc1cc(ccc1Cl)Cl 62a_100000707729_100000233755 [0,2,0,0,0,0|1,0,0]=3 20570 B13R1.656 COCCSc1cc(ccc1Cl)Cl 7a_200000230675_200000210301 [0,2,0,0,0,0|1,0,0]=3 20571 B13R1.656 COCCSc1cc(ccc1Cl)F 62a_100000233755_100011217299 [0,2,0,0,0,0|1,0,0]=3 20572 B13R1.656 COCCSc1cc(ccc1Cl)F 62a_100011217299_100000233755 [0,2,0,0,0,0|1,0,0]=3 20573 B13R1.656 COCCSc1cc(ccc1Cl)N 62a_100000233755_100012360549 [0,2,0,0,0,0|1,0,0]=3 20574 B13R1.656 COCCSc1cc(ccc1Cl)N 62a_100012360549_100000233755 [0,2,0,0,0,0|1,0,0]=3 20575 B13R1.656 COCCSc1cc(ccc1Cl)O 62a_100000049588_100000233755 [0,2,0,0,0,0|1,0,0]=3 20576 B13R1.656 COCCSc1cc(ccc1Cl)O 62a_100000233755_100000049588 [0,2,0,0,0,0|1,0,0]=3 20577 B13R1.656 COCCSc1cc(ccc1F)Br 62a_100000233755_100011217312 [0,2,0,0,0,0|1,1,0]=4 20578 B13R1.656 COCCSc1cc(ccc1F)Br 62a_100011217312_100000233755 [0,2,0,0,0,0|1,1,0]=4 20579 B13R1.656 COCCSc1cc(ccc1F)C 62a_100000233755_100000736223 [0,2,0,0,0,0|1,1,0]=4 20580 B13R1.656 COCCSc1cc(ccc1F)C 62a_100000736223_100000233755 [0,2,0,0,0,0|1,1,0]=4 20581 B13R1.656 COCCSc1cc(ccc1F)Cl 62a_100000233755_100011218116 [0,2,0,0,0,0|1,1,0]=4 20582 B13R1.656 COCCSc1cc(ccc1F)Cl 62a_100011218116_100000233755 [0,2,0,0,0,0|1,1,0]=4 20583 B13R1.656 COCCSc1cc(ccc1F)F 62a_100000233755_100011219198 [0,2,0,0,0,0|1,1,0]=4 20584 B13R1.656 COCCSc1cc(ccc1F)F 62a_100011219198_100000233755 [0,2,0,0,0,0|1,1,0]=4 20585 B13R1.656 COCCSc1cc(ccc1F)N 62a_100000233755_100000760356 [0,2,0,0,0,0|1,1,0]=4 20586 B13R1.656 COCCSc1cc(ccc1F)N 62a_100000760356_100000233755 [0,2,0,0,0,0|1,1,0]=4 20587 B13R1.656 COCCSc1cc(ccc1F)O 62a_100000233755_100000693481 [0,2,0,0,0,0|1,1,0]=4 20588 B13R1.656 COCCSc1cc(ccc1F)O 62a_100000693481_100000233755 [0,2,0,0,0,0|1,1,0]=4 20589 B13R1.656 COCCSc1cc(ccc1N)Br 62a_100000187925_100000233755 [0,2,0,0,0,0|2,0,0]=4 20590 B13R1.656 COCCSc1cc(ccc1N)Br 62a_100000233755_100000187925 [0,2,0,0,0,0|2,0,0]=4 20591 B13R1.656 COCCSc1cc(ccc1N)C 62a_100000233755_100011356834 [0,2,0,0,0,0|2,0,0]=4 20592 B13R1.656 COCCSc1cc(ccc1N)C 62a_100011356834_100000233755 [0,2,0,0,0,0|2,0,0]=4 20593 B13R1.656 COCCSc1cc(ccc1N)Cl 62a_100000233755_100000761889 [0,2,0,0,0,0|2,0,0]=4 20594 B13R1.656 COCCSc1cc(ccc1N)Cl 62a_100000761889_100000233755 [0,2,0,0,0,0|2,0,0]=4 20595 B13R1.656 COCCSc1cc(ccc1N)F 62a_100000233755_100000760547 [0,2,0,0,0,0|2,0,0]=4 20596 B13R1.656 COCCSc1cc(ccc1N)F 62a_100000760547_100000233755 [0,2,0,0,0,0|2,0,0]=4 20597 B13R1.656 COCCSc1cc(ccc1N)N 62a_100000233755_100011534242 [0,2,0,0,0,0|2,0,0]=4 20598 B13R1.656 COCCSc1cc(ccc1N)N 62a_100011534242_100000233755 [0,2,0,0,0,0|2,0,0]=4 20599 B13R1.656 COCCSc1cc(ccc1N)O 62a_100000233755_100012001276 [0,2,0,0,0,0|2,0,0]=4 20600 B13R1.656 COCCSc1cc(ccc1N)O 62a_100012001276_100000233755 [0,2,0,0,0,0|2,0,0]=4 20601 B13R1.656 COCCSc1cc(ccc1O)Br 62a_100000233755_100012355227 [0,2,0,0,0,0|2,0,0]=4 20602 B13R1.656 COCCSc1cc(ccc1O)Br 62a_100012355227_100000233755 [0,2,0,0,0,0|2,0,0]=4 20603 B13R1.656 COCCSc1cc(ccc1O)C 62a_100000233755_100000765521 [0,2,0,0,0,0|2,0,0]=4 20604 B13R1.656 COCCSc1cc(ccc1O)C 62a_100000765521_100000233755 [0,2,0,0,0,0|2,0,0]=4 20605 B13R1.656 COCCSc1cc(ccc1O)Cl 62a_100000233755_100011356953 [0,2,0,0,0,0|2,0,0]=4 20606 B13R1.656 COCCSc1cc(ccc1O)Cl 62a_100011356953_100000233755 [0,2,0,0,0,0|2,0,0]=4 20607 B13R1.656 COCCSc1cc(ccc1O)F 62a_100000211999_100000233755 [0,2,0,0,0,0|2,0,0]=4 20608 B13R1.656 COCCSc1cc(ccc1O)F 62a_100000233755_100000211999 [0,2,0,0,0,0|2,0,0]=4 20609 B13R1.656 COCCSc1cc(ccc1O)N 62a_100000233755_100011534360 [0,2,0,0,0,0|2,0,0]=4 20610 B13R1.656 COCCSc1cc(ccc1O)N 62a_100011534360_100000233755 [0,2,0,0,0,0|2,0,0]=4 20611 B13R1.656 COCCSc1cc(ccc1O)O 62a_100000233755_100009813629 [0,2,0,0,0,0|2,0,0]=4 20612 B13R1.656 COCCSc1cc(cnc1Cl)Br 62a_100000233755_100009814771 [0,2,0,0,0,0|2,0,0]=4 20613 B13R1.656 COCCSc1cc(cnc1Cl)Br 62a_100009814771_100000233755 [0,2,0,0,0,0|2,0,0]=4 20614 B13R1.656 COCCSc1cc(cnc1Cl)C 62a_100000233755_100010210167 [0,2,0,0,0,0|2,0,0]=4 20615 B13R1.656 COCCSc1cc(cnc1Cl)C 62a_100010210167_100000233755 [0,2,0,0,0,0|2,0,0]=4 20616 B13R1.656 COCCSc1cc(cnc1Cl)Cl 62a_100000233755_200000062399 [0,2,0,0,0,0|2,0,0]=4 20617 B13R1.656 COCCSc1cc(cnc1Cl)Cl 62a_200000062399_100000233755 [0,2,0,0,0,0|2,0,0]=4 20618 B13R1.656 COCCSc1cc(cnc1Cl)N 62a_100000233755_100010253917 [0,2,0,0,0,0|2,0,0]=4 20619 B13R1.656 COCCSc1cc(cnc1Cl)N 62a_100010253917_100000233755 [0,2,0,0,0,0|2,0,0]=4 20620 B13R1.656 COCCSc1cc(ncc1Cl)Br 62a_100000233755_100010223331 [0,2,0,0,0,0|2,0,0]=4 20621 B13R1.656 COCCSc1cc(ncc1Cl)Br 62a_100010223331_100000233755 [0,2,0,0,0,0|2,0,0]=4 20622 B13R1.656 COCCSc1cc(ncc1Cl)Cl 62a_100000233755_100010172835 [0,2,0,0,0,0|2,0,0]=4 20623 B13R1.656 COCCSc1cc(ncc1Cl)Cl 62a_100010172835_100000233755 [0,2,0,0,0,0|2,0,0]=4 20624 B13R1.656 COCCSc1cc(ncc1Cl)F 62a_100000233755_100009892587 [0,2,0,0,0,0|2,0,0]=4 20625 B13R1.656 COCCSc1cc(ncc1Cl)F 62a_100009892587_100000233755 [0,2,0,0,0,0|2,0,0]=4 20626 B13R1.656 COCCSc1cc(ncc1Cl)N 62a_100000233755_100010134119 [0,2,0,0,0,0|2,0,0]=4 20627 B13R1.656 COCCSc1cc(ncc1Cl)N 62a_100010134119_100000233755 [0,2,0,0,0,0|2,0,0]=4 20628 B13R1.656 COCNCc1cc(ccc1Br)F 2230a_100000742738_100000766300 [0,2,0,0,0,0|1,1,0]=4 20629 B13R1.656 COCNCc1cc(ccc1Cl)C 2230a_100025705715_100000766300 [0,2,0,0,0,0|1,0,0]=3 20630 B13R1.656 COCNCc1cc(ccc1Cl)F 2230a_100011830483_100000766300 [0,2,0,0,0,0|1,0,0]=3 20631 B13R1.656 COCSCc1cc(ccc1Br)Br 62a_100000766300_100011982794 [0,2,0,0,0,0|1,1,0]=4 20632 B13R1.656 COCSCc1cc(ccc1Br)Br 62a_100011982794_100000766300 [0,2,0,0,0,0|1,1,0]=4 20633 B13R1.656 COCSCc1cc(ccc1Br)Cl 62a_100000733903_100000766300 [0,2,0,0,0,0|1,1,0]=4 20634 B13R1.656 COCSCc1cc(ccc1Br)Cl 62a_100000766300_100000733903 [0,2,0,0,0,0|1,1,0]=4 20635 B13R1.656 COCSCc1cc(ccc1Br)F 62a_100000736370_100000766300 [0,2,0,0,0,0|1,1,0]=4 20636 B13R1.656 COCSCc1cc(ccc1Br)F 62a_100000766300_100000736370 [0,2,0,0,0,0|1,1,0]=4 20637 B13R1.656 COCSCc1cc(ccc1Br)I 62a_100000766300_100012355412 [0,2,0,0,0,0|1,1,0]=4 20638 B13R1.656 COCSCc1cc(ccc1Br)I 62a_100012355412_100000766300 [0,2,0,0,0,0|1,1,0]=4 20639 B13R1.656 COCSCc1cc(ccc1C)C 62a_100000184699_100000766300 [0,2,0,0,0,0|2,0,0]=4 20640 B13R1.656 COCSCc1cc(ccc1C)C 62a_100000766300_100000184699 [0,2,0,0,0,0|2,0,0]=4 20641 B13R1.656 COCSCc1cc(ccc1C)Cl 62a_100000766300_100012186985 [0,2,0,0,0,0|2,0,0]=4 20642 B13R1.656 COCSCc1cc(ccc1C)Cl 62a_100012186985_100000766300 [0,2,0,0,0,0|2,0,0]=4 20643 B13R1.656 COCSCc1cc(ccc1C)F 62a_100000709795_100000766300 [0,2,0,0,0,0|2,0,0]=4 20644 B13R1.656 COCSCc1cc(ccc1C)F 62a_100000766300_100000709795 [0,2,0,0,0,0|2,0,0]=4 20645 B13R1.656 COCSCc1cc(ccc1Cl)Br 62a_100000763347_100000766300 [0,2,0,0,0,0|1,0,0]=3 20646 B13R1.656 COCSCc1cc(ccc1Cl)Br 62a_100000766300_100000763347 [0,2,0,0,0,0|1,0,0]=3 20647 B13R1.656 COCSCc1cc(ccc1Cl)C 62a_100000766300_100009871730 [0,2,0,0,0,0|1,0,0]=3 20648 B13R1.656 COCSCc1cc(ccc1Cl)C 62a_100009871730_100000766300 [0,2,0,0,0,0|1,0,0]=3 20649 B13R1.656 COCSCc1cc(ccc1Cl)Cl 62a_100000756322_100000766300 [0,2,0,0,0,0|1,0,0]=3 20650 B13R1.656 COCSCc1cc(ccc1Cl)Cl 62a_100000766300_100000756322 [0,2,0,0,0,0|1,0,0]=3 20651 B13R1.656 COCSCc1cc(ccc1Cl)F 62a_100000709952_100000766300 [0,2,0,0,0,0|1,0,0]=3 20652 B13R1.656 COCSCc1cc(ccc1Cl)F 62a_100000766300_100000709952 [0,2,0,0,0,0|1,0,0]=3 20653 B13R1.656 COCSCc1cc(ccc1Cl)I 62a_100000766300_100010188191 [0,2,0,0,0,0|1,0,0]=3 20654 B13R1.656 COCSCc1cc(ccc1Cl)I 62a_100010188191_100000766300 [0,2,0,0,0,0|1,0,0]=3 20655 B13R1.656 COCSCc1cc(ccc1F)Br 62a_100000736399_100000766300 [0,2,0,0,0,0|1,1,0]=4 20656 B13R1.656 COCSCc1cc(ccc1F)Br 62a_100000766300_100000736399 [0,2,0,0,0,0|1,1,0]=4 20657 B13R1.656 COCSCc1cc(ccc1F)C 62a_100000766300_100011260760 [0,2,0,0,0,0|1,1,0]=4 20658 B13R1.656 COCSCc1cc(ccc1F)C 62a_100011260760_100000766300 [0,2,0,0,0,0|1,1,0]=4 20659 B13R1.656 COCSCc1cc(ccc1F)Cl 62a_100000716957_100000766300 [0,2,0,0,0,0|1,1,0]=4 20660 B13R1.656 COCSCc1cc(ccc1F)Cl 62a_100000766300_100000716957 [0,2,0,0,0,0|1,1,0]=4 20661 B13R1.656 COCSCc1cc(ccc1F)F 62a_100000685659_100000766300 [0,2,0,0,0,0|1,1,0]=4 20662 B13R1.656 COCSCc1cc(ccc1F)F 62a_100000766300_100000685659 [0,2,0,0,0,0|1,1,0]=4 20663 B13R1.656 COCSCc1cc(ccc1F)I 62a_100000766300_200010149601 [0,2,0,0,0,0|1,1,0]=4 20664 B13R1.656 COCSCc1cc(ccc1F)I 62a_200010149601_100000766300 [0,2,0,0,0,0|1,1,0]=4 20665 B13R1.656 COCSCc1cc(ccc1I)Br 62a_100000766300_100012362523 [0,2,0,0,0,0|1,1,0]=4 20666 B13R1.656 COCSCc1cc(ccc1I)Br 62a_100012362523_100000766300 [0,2,0,0,0,0|1,1,0]=4 20667 B13R1.656 COCSCc1cc(ccc1I)Cl 62a_100000766300_100012348826 [0,2,0,0,0,0|1,1,0]=4 20668 B13R1.656 COCSCc1cc(ccc1I)Cl 62a_100012348826_100000766300 [0,2,0,0,0,0|1,1,0]=4 20669 B13R1.656 COCSCc1cc(ccc1I)F 62a_100000766300_100010149606 [0,2,0,0,0,0|1,1,0]=4 20670 B13R1.656 COCSCc1cc(ccc1I)F 62a_100010149606_100000766300 [0,2,0,0,0,0|1,1,0]=4 20671 B13R1.656 COCSCc1cc(ccc1O)F 62a_100000766300_100010161318 [0,2,0,0,0,0|2,0,0]=4 20672 B13R1.656 COCSCc1cc(ccc1O)F 62a_100010161318_100000766300 [0,2,0,0,0,0|2,0,0]=4 20673 B13R1.656 COCSCc1cc(cnc1Cl)Br 62a_100000766300_100009816982 [0,2,0,0,0,0|2,0,0]=4 20674 B13R1.656 COCSCc1cc(cnc1Cl)Br 62a_100009816982_100000766300 [0,2,0,0,0,0|2,0,0]=4 20675 B13R1.656 COCSCc1nc(ccc1Cl)C 62a_100000766300_200009852033 [0,2,0,0,0,0|2,0,0]=4 20676 B13R1.656 COCSCc1nc(ccc1Cl)C 62a_200009852033_100000766300 [0,2,0,0,0,0|2,0,0]=4 20677 B13R1.656 COCSCc1nc(ccc1Cl)Cl 62a_100000059412_100000766300 [0,2,0,0,0,0|2,0,0]=4 20678 B13R1.656 COCSCc1nc(ccc1Cl)Cl 62a_100000766300_100000059412 [0,2,0,0,0,0|2,0,0]=4 20679 B13R1.656 CSCCNc1cc(ccc1Br)Br 34a_100000737762_100000212216 [0,2,0,0,0,0|1,1,0]=4 20680 B13R1.656 CSCCNc1cc(ccc1Br)C 34a_100000745044_100000212216 [0,2,0,0,0,0|1,1,0]=4 20681 B13R1.656 CSCCNc1cc(ccc1Br)Cl 34a_100000687073_100000212216 [0,2,0,0,0,0|1,1,0]=4 20682 B13R1.656 CSCCNc1cc(ccc1Br)F 34a_100000687223_100000212216 [0,2,0,0,0,0|1,1,0]=4 20683 B13R1.656 CSCCNc1cc(ccc1Br)O 34a_100011999798_100000212216 [0,2,0,0,0,0|1,1,0]=4 20684 B13R1.656 CSCCNc1cc(ccc1C)Br 34a_100000741167_100000212216 [0,2,0,0,0,0|2,0,0]=4 20685 B13R1.656 CSCCNc1cc(ccc1C)Br 7a_100000741167_100000212216 [0,2,0,0,0,0|2,0,0]=4 20686 B13R1.656 CSCCNc1cc(ccc1C)C 2230a_100000185781_100000751147 [0,2,0,0,0,0|2,0,0]=4 20687 B13R1.656 CSCCNc1cc(ccc1C)C 34a_100000185781_100000212216 [0,2,0,0,0,0|2,0,0]=4 20688 B13R1.656 CSCCNc1cc(ccc1C)C 7a_100000185781_100000212216 [0,2,0,0,0,0|2,0,0]=4 20689 B13R1.656 CSCCNc1cc(ccc1C)Cl 34a_100000211374_100000212216 [0,2,0,0,0,0|2,0,0]=4 20690 B13R1.656 CSCCNc1cc(ccc1C)Cl 7a_100000211374_100000212216 [0,2,0,0,0,0|2,0,0]=4 20691 B13R1.656 CSCCNc1cc(ccc1C)F 34a_100000211107_100000212216 [0,2,0,0,0,0|2,0,0]=4 20692 B13R1.656 CSCCNc1cc(ccc1C)F 7a_100000211107_100000212216 [0,2,0,0,0,0|2,0,0]=4 20693 B13R1.656 CSCCNc1cc(ccc1C)I 7a_100000761890_100000212216 [0,2,0,0,0,0|2,0,0]=4 20694 B13R1.656 CSCCNc1cc(ccc1C)O 34a_100011216113_100000212216 [0,2,0,0,0,0|2,0,0]=4 20695 B13R1.656 CSCCNc1cc(ccc1Cl)Br 34a_100000750497_100000212216 [0,2,0,0,0,0|1,0,0]=3 20696 B13R1.656 CSCCNc1cc(ccc1Cl)C 34a_100011215360_100000212216 [0,2,0,0,0,0|1,0,0]=3 20697 B13R1.656 CSCCNc1cc(ccc1Cl)Cl 34a_100000184485_100000212216 [0,2,0,0,0,0|1,0,0]=3 20698 B13R1.656 CSCCNc1cc(ccc1Cl)F 34a_100000751338_100000212216 [0,2,0,0,0,0|1,0,0]=3 20699 B13R1.656 CSCCNc1cc(ccc1Cl)I 34a_200000761891_100000212216 [0,2,0,0,0,0|1,0,0]=3 20700 B13R1.656 CSCCNc1cc(ccc1Cl)O 34a_100011934297_100000212216 [0,2,0,0,0,0|1,0,0]=3 20701 B13R1.656 CSCCNc1cc(ccc1F)Br 34a_100000740924_100000212216 [0,2,0,0,0,0|1,1,0]=4 20702 B13R1.656 CSCCNc1cc(ccc1F)C 34a_100000211285_100000212216 [0,2,0,0,0,0|1,1,0]=4 20703 B13R1.656 CSCCNc1cc(ccc1F)Cl 34a_100000212115_100000212216 [0,2,0,0,0,0|1,1,0]=4 20704 B13R1.656 CSCCNc1cc(ccc1F)F 34a_100000210742_100000212216 [0,2,0,0,0,0|1,1,0]=4 20705 B13R1.656 CSCCNc1cc(ccc1F)I 34a_100011464823_100000212216 [0,2,0,0,0,0|1,1,0]=4 20706 B13R1.656 CSCCNc1cc(ccc1F)O 34a_100012017239_100000212216 [0,2,0,0,0,0|1,1,0]=4 20707 B13R1.656 CSCCNc1cc(ccc1I)Br 34a_100000743836_100000212216 [0,2,0,0,0,0|1,1,0]=4 20708 B13R1.656 CSCCNc1cc(ccc1I)C 34a_100011216686_100000212216 [0,2,0,0,0,0|1,1,0]=4 20709 B13R1.656 CSCCNc1cc(ccc1I)Cl 34a_100000761886_100000212216 [0,2,0,0,0,0|1,1,0]=4 20710 B13R1.656 CSCCNc1cc(ccc1I)F 34a_100011218093_100000212216 [0,2,0,0,0,0|1,1,0]=4 20711 B13R1.656 CSCCNc1cc(ccc1O)Br 34a_100000752626_100000212216 [0,2,0,0,0,0|2,0,0]=4 20712 B13R1.656 CSCCNc1cc(ccc1O)C 34a_100011215204_100000212216 [0,2,0,0,0,0|2,0,0]=4 20713 B13R1.656 CSCCNc1cc(ccc1O)Cl 34a_100000210500_100000212216 [0,2,0,0,0,0|2,0,0]=4 20714 B13R1.656 CSCCNc1cc(ccc1O)F 34a_100000759472_100000212216 [0,2,0,0,0,0|2,0,0]=4 20715 B13R1.656 CSCCNc1cc(ncc1Cl)F 27a_100020590264_100009892587 [0,2,0,0,0,0|2,0,0]=4 20716 B13R1.656 CSCCOc1cc(=O)[nH]cc1Cl 34a_100000069390_100000212216 [0,2,0,0,0,0|2,0,0]=4 20717 B13R1.656 CSCCOc1cc(ccc1Br)Br 34a_100011220040_100000212216 [0,2,0,0,0,0|1,1,0]=4 20718 B13R1.656 CSCCOc1cc(ccc1Br)Br 7a_100011220040_100000212216 [0,2,0,0,0,0|1,1,0]=4 20719 B13R1.656 CSCCOc1cc(ccc1Br)C 34a_100012002257_100000212216 [0,2,0,0,0,0|1,1,0]=4 20720 B13R1.656 CSCCOc1cc(ccc1Br)C 7a_100012002257_100000212216 [0,2,0,0,0,0|1,1,0]=4 20721 B13R1.656 CSCCOc1cc(ccc1Br)Cl 34a_100012339455_100000212216 [0,2,0,0,0,0|1,1,0]=4 20722 B13R1.656 CSCCOc1cc(ccc1Br)Cl 7a_100012339455_100000212216 [0,2,0,0,0,0|1,1,0]=4 20723 B13R1.656 CSCCOc1cc(ccc1Br)F 34a_100000690578_100000212216 [0,2,0,0,0,0|1,1,0]=4 20724 B13R1.656 CSCCOc1cc(ccc1Br)F 7a_100000690578_100000212216 [0,2,0,0,0,0|1,1,0]=4 20725 B13R1.656 CSCCOc1cc(ccc1Br)I 34a_100012356990_100000212216 [0,2,0,0,0,0|1,1,0]=4 20726 B13R1.656 CSCCOc1cc(ccc1Br)I 7a_100012356990_100000212216 [0,2,0,0,0,0|1,1,0]=4 20727 B13R1.656 CSCCOc1cc(ccc1C)Br 34a_100000685420_100000212216 [0,2,0,0,0,0|2,0,0]=4 20728 B13R1.656 CSCCOc1cc(ccc1C)Br 7a_100000685420_100000212216 [0,2,0,0,0,0|2,0,0]=4 20729 B13R1.656 CSCCOc1cc(ccc1C)C 34a_100000210931_100000212216 [0,2,0,0,0,0|2,0,0]=4 20730 B13R1.656 CSCCOc1cc(ccc1C)C 7a_100000210931_100000212216 [0,2,0,0,0,0|2,0,0]=4 20731 B13R1.656 CSCCOc1cc(ccc1C)Cl 34a_100000756515_100000212216 [0,2,0,0,0,0|2,0,0]=4 20732 B13R1.656 CSCCOc1cc(ccc1C)Cl 7a_100000756515_100000212216 [0,2,0,0,0,0|2,0,0]=4 20733 B13R1.656 CSCCOc1cc(ccc1C)F 34a_100000690566_100000212216 [0,2,0,0,0,0|2,0,0]=4 20734 B13R1.656 CSCCOc1cc(ccc1C)F 7a_100000690566_100000212216 [0,2,0,0,0,0|2,0,0]=4 20735 B13R1.656 CSCCOc1cc(ccc1C)I 7a_100000766334_100000212216 [0,2,0,0,0,0|2,0,0]=4 20736 B13R1.656 CSCCOc1cc(ccc1C)N 34a_100000759471_100000212216 [0,2,0,0,0,0|2,0,0]=4 20737 B13R1.656 CSCCOc1cc(ccc1C)N 7a_100000759471_100000212216 [0,2,0,0,0,0|2,0,0]=4 20738 B13R1.656 CSCCOc1cc(ccc1Cl)Br 34a_100000738945_100000212216 [0,2,0,0,0,0|1,0,0]=3 20739 B13R1.656 CSCCOc1cc(ccc1Cl)Br 7a_100000738945_100000212216 [0,2,0,0,0,0|1,0,0]=3 20740 B13R1.656 CSCCOc1cc(ccc1Cl)C 34a_100000211493_100000212216 [0,2,0,0,0,0|1,0,0]=3 20741 B13R1.656 CSCCOc1cc(ccc1Cl)C 62a_100011277402_200000210301 [0,2,0,0,0,0|1,0,0]=3 20742 B13R1.656 CSCCOc1cc(ccc1Cl)C 62a_200000210301_100011277402 [0,2,0,0,0,0|1,0,0]=3 20743 B13R1.656 CSCCOc1cc(ccc1Cl)C 7a_100000211493_100000212216 [0,2,0,0,0,0|1,0,0]=3 20744 B13R1.656 CSCCOc1cc(ccc1Cl)Cl 34a_100000211422_100000212216 [0,2,0,0,0,0|1,0,0]=3 20745 B13R1.656 CSCCOc1cc(ccc1Cl)Cl 62a_100000198575_200000210301 [0,2,0,0,0,0|1,0,0]=3 20746 B13R1.656 CSCCOc1cc(ccc1Cl)Cl 62a_200000210301_100000198575 [0,2,0,0,0,0|1,0,0]=3 20747 B13R1.656 CSCCOc1cc(ccc1Cl)Cl 7a_100000211422_100000212216 [0,2,0,0,0,0|1,0,0]=3 20748 B13R1.656 CSCCOc1cc(ccc1Cl)F 34a_100000692107_100000212216 [0,2,0,0,0,0|1,0,0]=3 20749 B13R1.656 CSCCOc1cc(ccc1Cl)F 7a_100000692107_100000212216 [0,2,0,0,0,0|1,0,0]=3 20750 B13R1.656 CSCCOc1cc(ccc1Cl)I 34a_100011356854_100000212216 [0,2,0,0,0,0|1,0,0]=3 20751 B13R1.656 CSCCOc1cc(ccc1Cl)I 7a_100011356854_100000212216 [0,2,0,0,0,0|1,0,0]=3 20752 B13R1.656 CSCCOc1cc(ccc1Cl)N 34a_100011934209_100000212216 [0,2,0,0,0,0|1,0,0]=3 20753 B13R1.656 CSCCOc1cc(ccc1F)Br 34a_100000686035_100000212216 [0,2,0,0,0,0|1,1,0]=4 20754 B13R1.656 CSCCOc1cc(ccc1F)Br 7a_100000686035_100000212216 [0,2,0,0,0,0|1,1,0]=4 20755 B13R1.656 CSCCOc1cc(ccc1F)C 34a_100000759540_100000212216 [0,2,0,0,0,0|1,1,0]=4 20756 B13R1.656 CSCCOc1cc(ccc1F)C 7a_100000759540_100000212216 [0,2,0,0,0,0|1,1,0]=4 20757 B13R1.656 CSCCOc1cc(ccc1F)Cl 34a_100000757397_100000212216 [0,2,0,0,0,0|1,1,0]=4 20758 B13R1.656 CSCCOc1cc(ccc1F)Cl 7a_100000757397_100000212216 [0,2,0,0,0,0|1,1,0]=4 20759 B13R1.656 CSCCOc1cc(ccc1F)F 34a_100000752141_100000212216 [0,2,0,0,0,0|1,1,0]=4 20760 B13R1.656 CSCCOc1cc(ccc1F)F 7a_100000752141_100000212216 [0,2,0,0,0,0|1,1,0]=4 20761 B13R1.656 CSCCOc1cc(ccc1F)I 34a_100009958187_100000212216 [0,2,0,0,0,0|1,1,0]=4 20762 B13R1.656 CSCCOc1cc(ccc1F)I 7a_100009958187_100000212216 [0,2,0,0,0,0|1,1,0]=4 20763 B13R1.656 CSCCOc1cc(ccc1F)N 34a_100012017398_100000212216 [0,2,0,0,0,0|1,1,0]=4 20764 B13R1.656 CSCCOc1cc(ccc1F)N 7a_100012017398_100000212216 [0,2,0,0,0,0|1,1,0]=4 20765 B13R1.656 CSCCOc1cc(ccc1I)Br 34a_100012344904_100000212216 [0,2,0,0,0,0|1,1,0]=4 20766 B13R1.656 CSCCOc1cc(ccc1I)Br 7a_100012344904_100000212216 [0,2,0,0,0,0|1,1,0]=4 20767 B13R1.656 CSCCOc1cc(ccc1I)Cl 34a_100000050036_100000212216 [0,2,0,0,0,0|1,1,0]=4 20768 B13R1.656 CSCCOc1cc(ccc1I)Cl 7a_100000050036_100000212216 [0,2,0,0,0,0|1,1,0]=4 20769 B13R1.656 CSCCOc1cc(ccc1I)F 34a_100010084537_100000212216 [0,2,0,0,0,0|1,1,0]=4 20770 B13R1.656 CSCCOc1cc(ccc1I)F 7a_100010084537_100000212216 [0,2,0,0,0,0|1,1,0]=4 20771 B13R1.656 CSCCOc1cc(ccc1N)Br 34a_100000739049_100000212216 [0,2,0,0,0,0|2,0,0]=4 20772 B13R1.656 CSCCOc1cc(ccc1N)Br 7a_100000739049_100000212216 [0,2,0,0,0,0|2,0,0]=4 20773 B13R1.656 CSCCOc1cc(ccc1N)C 34a_100000211527_100000212216 [0,2,0,0,0,0|2,0,0]=4 20774 B13R1.656 CSCCOc1cc(ccc1N)C 7a_100000211527_100000212216 [0,2,0,0,0,0|2,0,0]=4 20775 B13R1.656 CSCCOc1cc(ccc1N)Cl 34a_100000185728_100000212216 [0,2,0,0,0,0|2,0,0]=4 20776 B13R1.656 CSCCOc1cc(ccc1N)Cl 7a_100000185728_100000212216 [0,2,0,0,0,0|2,0,0]=4 20777 B13R1.656 CSCCOc1cc(ccc1N)F 34a_100000753323_100000212216 [0,2,0,0,0,0|2,0,0]=4 20778 B13R1.656 CSCCOc1cc(ccc1N)F 7a_100000753323_100000212216 [0,2,0,0,0,0|2,0,0]=4 20779 B13R1.656 CSCCOc1cc(ccc1N)I 34a_100000057187_100000212216 [0,2,0,0,0,0|2,0,0]=4 20780 B13R1.656 CSCCOc1cc(ccc1N)I 7a_100000057187_100000212216 [0,2,0,0,0,0|2,0,0]=4 20781 B13R1.656 CSCCOc1cc(ccc1N)N 34a_100025717382_100000212216 [0,2,0,0,0,0|2,0,0]=4 20782 B13R1.656 CSCCOc1cc(cnc1Cl)Br 34a_100012354860_100000212216 [0,2,0,0,0,0|2,0,0]=4 20783 B13R1.656 CSCCOc1cc(cnc1Cl)Br 7a_100012354860_100000212216 [0,2,0,0,0,0|2,0,0]=4 20784 B13R1.656 CSCCOc1cc(cnc1Cl)C 34a_100012000487_100000212216 [0,2,0,0,0,0|2,0,0]=4 20785 B13R1.656 CSCCOc1cc(cnc1Cl)C 7a_100012000487_100000212216 [0,2,0,0,0,0|2,0,0]=4 20786 B13R1.656 CSCCOc1cc(cnc1Cl)F 34a_100000079967_100000212216 [0,2,0,0,0,0|2,0,0]=4 20787 B13R1.656 CSCCOc1cc(cnc1Cl)F 7a_100000079967_100000212216 [0,2,0,0,0,0|2,0,0]=4 20788 B13R1.656 CSCCOc1cc(ncc1Cl)Br 34a_100010173861_100000212216 [0,2,0,0,0,0|2,0,0]=4 20789 B13R1.656 CSCCSc1cc(ccc1Br)Br 62a_100000212216_100011483371 [0,2,0,0,0,0|1,1,0]=4 20790 B13R1.656 CSCCSc1cc(ccc1Br)Br 62a_100011483371_100000751147 [0,2,0,0,0,0|1,1,0]=4 20791 B13R1.656 CSCCSc1cc(ccc1Br)C 62a_100000212216_100012353751 [0,2,0,0,0,0|1,1,0]=4 20792 B13R1.656 CSCCSc1cc(ccc1Br)C 62a_100012353751_100000751147 [0,2,0,0,0,0|1,1,0]=4 20793 B13R1.656 CSCCSc1cc(ccc1Br)Cl 62a_100000212216_100012339723 [0,2,0,0,0,0|1,1,0]=4 20794 B13R1.656 CSCCSc1cc(ccc1Br)Cl 62a_100012339723_100000751147 [0,2,0,0,0,0|1,1,0]=4 20795 B13R1.656 CSCCSc1cc(ccc1Br)F 62a_100000212216_100011217576 [0,2,0,0,0,0|1,1,0]=4 20796 B13R1.656 CSCCSc1cc(ccc1Br)F 62a_100011217576_100000751147 [0,2,0,0,0,0|1,1,0]=4 20797 B13R1.656 CSCCSc1cc(ccc1Br)N 62a_100000212216_100000750459 [0,2,0,0,0,0|1,1,0]=4 20798 B13R1.656 CSCCSc1cc(ccc1Br)N 62a_100000750459_100000751147 [0,2,0,0,0,0|1,1,0]=4 20799 B13R1.656 CSCCSc1cc(ccc1Br)O 62a_100000212216_100012339312 [0,2,0,0,0,0|1,1,0]=4 20800 B13R1.656 CSCCSc1cc(ccc1Br)O 62a_100012339312_100000751147 [0,2,0,0,0,0|1,1,0]=4 20801 B13R1.656 CSCCSc1cc(ccc1C)Br 62a_100000212216_100011344865 [0,2,0,0,0,0|2,0,0]=4 20802 B13R1.656 CSCCSc1cc(ccc1C)Br 62a_100011344865_100000751147 [0,2,0,0,0,0|2,0,0]=4 20803 B13R1.656 CSCCSc1cc(ccc1C)C 62a_100000210833_100000751147 [0,2,0,0,0,0|2,0,0]=4 20804 B13R1.656 CSCCSc1cc(ccc1C)C 62a_100000212216_100000210833 [0,2,0,0,0,0|2,0,0]=4 20805 B13R1.656 CSCCSc1cc(ccc1C)Cl 62a_100000212216_100011263213 [0,2,0,0,0,0|2,0,0]=4 20806 B13R1.656 CSCCSc1cc(ccc1C)Cl 62a_100011263213_100000751147 [0,2,0,0,0,0|2,0,0]=4 20807 B13R1.656 CSCCSc1cc(ccc1C)F 62a_100000212216_100011218078 [0,2,0,0,0,0|2,0,0]=4 20808 B13R1.656 CSCCSc1cc(ccc1C)F 62a_100011218078_100000751147 [0,2,0,0,0,0|2,0,0]=4 20809 B13R1.656 CSCCSc1cc(ccc1C)N 62a_100000212216_100000736455 [0,2,0,0,0,0|2,0,0]=4 20810 B13R1.656 CSCCSc1cc(ccc1C)N 62a_100000736455_100000751147 [0,2,0,0,0,0|2,0,0]=4 20811 B13R1.656 CSCCSc1cc(ccc1C)O 62a_100000212216_100011380479 [0,2,0,0,0,0|2,0,0]=4 20812 B13R1.656 CSCCSc1cc(ccc1C)O 62a_100011380479_100000751147 [0,2,0,0,0,0|2,0,0]=4 20813 B13R1.656 CSCCSc1cc(ccc1Cl)Br 62a_100000212216_100011772130 [0,2,0,0,0,0|1,0,0]=3 20814 B13R1.656 CSCCSc1cc(ccc1Cl)Br 62a_100011772130_100000751147 [0,2,0,0,0,0|1,0,0]=3 20815 B13R1.656 CSCCSc1cc(ccc1Cl)C 62a_100000212216_100012356289 [0,2,0,0,0,0|1,0,0]=3 20816 B13R1.656 CSCCSc1cc(ccc1Cl)C 62a_100012356289_100000751147 [0,2,0,0,0,0|1,0,0]=3 20817 B13R1.656 CSCCSc1cc(ccc1Cl)Cl 62a_100000180180_200000210301 [0,2,0,0,0,0|1,0,0]=3 20818 B13R1.656 CSCCSc1cc(ccc1Cl)Cl 62a_100000212216_100000707729 [0,2,0,0,0,0|1,0,0]=3 20819 B13R1.656 CSCCSc1cc(ccc1Cl)Cl 62a_100000707729_100000751147 [0,2,0,0,0,0|1,0,0]=3 20820 B13R1.656 CSCCSc1cc(ccc1Cl)Cl 62a_200000210301_100000180180 [0,2,0,0,0,0|1,0,0]=3 20821 B13R1.656 CSCCSc1cc(ccc1Cl)F 62a_100000212216_100011217299 [0,2,0,0,0,0|1,0,0]=3 20822 B13R1.656 CSCCSc1cc(ccc1Cl)F 62a_100011217299_100000751147 [0,2,0,0,0,0|1,0,0]=3 20823 B13R1.656 CSCCSc1cc(ccc1Cl)N 62a_100000212216_100012360549 [0,2,0,0,0,0|1,0,0]=3 20824 B13R1.656 CSCCSc1cc(ccc1Cl)N 62a_100012360549_100000751147 [0,2,0,0,0,0|1,0,0]=3 20825 B13R1.656 CSCCSc1cc(ccc1Cl)O 62a_100000049588_100000751147 [0,2,0,0,0,0|1,0,0]=3 20826 B13R1.656 CSCCSc1cc(ccc1Cl)O 62a_100000212216_100000049588 [0,2,0,0,0,0|1,0,0]=3 20827 B13R1.656 CSCCSc1cc(ccc1F)Br 62a_100000212216_100011217312 [0,2,0,0,0,0|1,1,0]=4 20828 B13R1.656 CSCCSc1cc(ccc1F)Br 62a_100011217312_100000751147 [0,2,0,0,0,0|1,1,0]=4 20829 B13R1.656 CSCCSc1cc(ccc1F)C 62a_100000212216_100000736223 [0,2,0,0,0,0|1,1,0]=4 20830 B13R1.656 CSCCSc1cc(ccc1F)C 62a_100000736223_100000751147 [0,2,0,0,0,0|1,1,0]=4 20831 B13R1.656 CSCCSc1cc(ccc1F)Cl 62a_100000212216_100011218116 [0,2,0,0,0,0|1,1,0]=4 20832 B13R1.656 CSCCSc1cc(ccc1F)Cl 62a_100011218116_100000751147 [0,2,0,0,0,0|1,1,0]=4 20833 B13R1.656 CSCCSc1cc(ccc1F)F 62a_100000212216_100011219198 [0,2,0,0,0,0|1,1,0]=4 20834 B13R1.656 CSCCSc1cc(ccc1F)F 62a_100011219198_100000751147 [0,2,0,0,0,0|1,1,0]=4 20835 B13R1.656 CSCCSc1cc(ccc1F)N 62a_100000212216_100000760356 [0,2,0,0,0,0|1,1,0]=4 20836 B13R1.656 CSCCSc1cc(ccc1F)N 62a_100000760356_100000751147 [0,2,0,0,0,0|1,1,0]=4 20837 B13R1.656 CSCCSc1cc(ccc1F)O 62a_100000212216_100000693481 [0,2,0,0,0,0|1,1,0]=4 20838 B13R1.656 CSCCSc1cc(ccc1F)O 62a_100000693481_100000751147 [0,2,0,0,0,0|1,1,0]=4 20839 B13R1.656 CSCCSc1cc(ccc1N)Br 62a_100000187925_100000751147 [0,2,0,0,0,0|2,0,0]=4 20840 B13R1.656 CSCCSc1cc(ccc1N)Br 62a_100000212216_100000187925 [0,2,0,0,0,0|2,0,0]=4 20841 B13R1.656 CSCCSc1cc(ccc1N)C 62a_100000212216_100011356834 [0,2,0,0,0,0|2,0,0]=4 20842 B13R1.656 CSCCSc1cc(ccc1N)C 62a_100011356834_100000751147 [0,2,0,0,0,0|2,0,0]=4 20843 B13R1.656 CSCCSc1cc(ccc1N)Cl 62a_100000212216_100000761889 [0,2,0,0,0,0|2,0,0]=4 20844 B13R1.656 CSCCSc1cc(ccc1N)Cl 62a_100000761889_100000751147 [0,2,0,0,0,0|2,0,0]=4 20845 B13R1.656 CSCCSc1cc(ccc1N)F 62a_100000212216_100000760547 [0,2,0,0,0,0|2,0,0]=4 20846 B13R1.656 CSCCSc1cc(ccc1N)F 62a_100000760547_100000751147 [0,2,0,0,0,0|2,0,0]=4 20847 B13R1.656 CSCCSc1cc(ccc1N)N 62a_100000212216_100011534242 [0,2,0,0,0,0|2,0,0]=4 20848 B13R1.656 CSCCSc1cc(ccc1N)N 62a_100011534242_100000751147 [0,2,0,0,0,0|2,0,0]=4 20849 B13R1.656 CSCCSc1cc(ccc1N)O 62a_100000212216_100012001276 [0,2,0,0,0,0|2,0,0]=4 20850 B13R1.656 CSCCSc1cc(ccc1N)O 62a_100012001276_100000751147 [0,2,0,0,0,0|2,0,0]=4 20851 B13R1.656 CSCCSc1cc(ccc1O)Br 62a_100000212216_100012355227 [0,2,0,0,0,0|2,0,0]=4 20852 B13R1.656 CSCCSc1cc(ccc1O)Br 62a_100012355227_100000751147 [0,2,0,0,0,0|2,0,0]=4 20853 B13R1.656 CSCCSc1cc(ccc1O)C 62a_100000212216_100000765521 [0,2,0,0,0,0|2,0,0]=4 20854 B13R1.656 CSCCSc1cc(ccc1O)C 62a_100000765521_100000751147 [0,2,0,0,0,0|2,0,0]=4 20855 B13R1.656 CSCCSc1cc(ccc1O)Cl 62a_100000212216_100011356953 [0,2,0,0,0,0|2,0,0]=4 20856 B13R1.656 CSCCSc1cc(ccc1O)Cl 62a_100011356953_100000751147 [0,2,0,0,0,0|2,0,0]=4 20857 B13R1.656 CSCCSc1cc(ccc1O)F 62a_100000211999_100000751147 [0,2,0,0,0,0|2,0,0]=4 20858 B13R1.656 CSCCSc1cc(ccc1O)F 62a_100000212216_100000211999 [0,2,0,0,0,0|2,0,0]=4 20859 B13R1.656 CSCCSc1cc(ccc1O)N 62a_100000212216_100011534360 [0,2,0,0,0,0|2,0,0]=4 20860 B13R1.656 CSCCSc1cc(ccc1O)N 62a_100011534360_100000751147 [0,2,0,0,0,0|2,0,0]=4 20861 B13R1.656 CSCCSc1cc(ccc1O)O 62a_100000212216_100009813629 [0,2,0,0,0,0|2,0,0]=4 20862 B13R1.656 CSCCSc1cc(cnc1Cl)Br 62a_100000212216_100009814771 [0,2,0,0,0,0|2,0,0]=4 20863 B13R1.656 CSCCSc1cc(cnc1Cl)Br 62a_100009814771_100000751147 [0,2,0,0,0,0|2,0,0]=4 20864 B13R1.656 CSCCSc1cc(cnc1Cl)C 62a_100000212216_100010210167 [0,2,0,0,0,0|2,0,0]=4 20865 B13R1.656 CSCCSc1cc(cnc1Cl)C 62a_100010210167_100000751147 [0,2,0,0,0,0|2,0,0]=4 20866 B13R1.656 CSCCSc1cc(cnc1Cl)Cl 62a_100000212216_200000062399 [0,2,0,0,0,0|2,0,0]=4 20867 B13R1.656 CSCCSc1cc(cnc1Cl)Cl 62a_200000062399_100000751147 [0,2,0,0,0,0|2,0,0]=4 20868 B13R1.656 CSCCSc1cc(cnc1Cl)N 62a_100000212216_100010253917 [0,2,0,0,0,0|2,0,0]=4 20869 B13R1.656 CSCCSc1cc(cnc1Cl)N 62a_100010253917_100000751147 [0,2,0,0,0,0|2,0,0]=4 20870 B13R1.656 CSCCSc1cc(ncc1Cl)Br 62a_100000212216_100010223331 [0,2,0,0,0,0|2,0,0]=4 20871 B13R1.656 CSCCSc1cc(ncc1Cl)Br 62a_100010223331_100000751147 [0,2,0,0,0,0|2,0,0]=4 20872 B13R1.656 CSCCSc1cc(ncc1Cl)Cl 62a_100000212216_100010172835 [0,2,0,0,0,0|2,0,0]=4 20873 B13R1.656 CSCCSc1cc(ncc1Cl)Cl 62a_100010172835_100000751147 [0,2,0,0,0,0|2,0,0]=4 20874 B13R1.656 CSCCSc1cc(ncc1Cl)F 62a_100000212216_100009892587 [0,2,0,0,0,0|2,0,0]=4 20875 B13R1.656 CSCCSc1cc(ncc1Cl)F 62a_100009892587_100000751147 [0,2,0,0,0,0|2,0,0]=4 20876 B13R1.656 CSCCSc1cc(ncc1Cl)N 62a_100000212216_100010134119 [0,2,0,0,0,0|2,0,0]=4 20877 B13R1.656 CSCCSc1cc(ncc1Cl)N 62a_100010134119_100000751147 [0,2,0,0,0,0|2,0,0]=4 20878 B13R1.656 CSCNCc1cc(ccc1Br)Br 34a_100000707832_100011218213 [0,2,0,0,0,0|1,1,0]=4 20879 B13R1.656 CSCNCc1cc(ccc1Br)F 2230a_100000742738_100011218213 [0,2,0,0,0,0|1,1,0]=4 20880 B13R1.656 CSCNCc1cc(ccc1Br)F 34a_100000742738_100011218213 [0,2,0,0,0,0|1,1,0]=4 20881 B13R1.656 CSCNCc1cc(ccc1C)C 34a_100000174964_100011218213 [0,2,0,0,0,0|2,0,0]=4 20882 B13R1.656 CSCNCc1cc(ccc1C)Cl 34a_100000717755_100011218213 [0,2,0,0,0,0|2,0,0]=4 20883 B13R1.656 CSCNCc1cc(ccc1C)F 34a_100011217291_100011218213 [0,2,0,0,0,0|2,0,0]=4 20884 B13R1.656 CSCNCc1cc(ccc1C)O 34a_200009844824_100011218213 [0,2,0,0,0,0|2,0,0]=4 20885 B13R1.656 CSCNCc1cc(ccc1Cl)Br 34a_100025772652_100011218213 [0,2,0,0,0,0|1,0,0]=3 20886 B13R1.656 CSCNCc1cc(ccc1Cl)C 2230a_100025705715_100011218213 [0,2,0,0,0,0|1,0,0]=3 20887 B13R1.656 CSCNCc1cc(ccc1Cl)C 34a_100025705715_100011218213 [0,2,0,0,0,0|1,0,0]=3 20888 B13R1.656 CSCNCc1cc(ccc1Cl)Cl 34a_100102946428_100011218213 [0,2,0,0,0,0|1,0,0]=3 20889 B13R1.656 CSCNCc1cc(ccc1Cl)F 2230a_100011830483_100011218213 [0,2,0,0,0,0|1,0,0]=3 20890 B13R1.656 CSCNCc1cc(ccc1Cl)F 34a_100011830483_100011218213 [0,2,0,0,0,0|1,0,0]=3 20891 B13R1.656 CSCNCc1cc(ccc1F)Br 34a_100009815772_100011218213 [0,2,0,0,0,0|1,1,0]=4 20892 B13R1.656 CSCNCc1cc(ccc1F)C 34a_100102693586_100011218213 [0,2,0,0,0,0|1,1,0]=4 20893 B13R1.656 CSCNCc1cc(ccc1F)Cl 34a_100011211646_100011218213 [0,2,0,0,0,0|1,1,0]=4 20894 B13R1.656 CSCNCc1cc(ccc1F)F 34a_100000752317_100011218213 [0,2,0,0,0,0|1,1,0]=4 20895 B13R1.656 CSCNCc1cc(ccc1O)Br 34a_100000730032_100011218213 [0,2,0,0,0,0|2,0,0]=4 20896 B13R1.656 CSCNCc1cc(ccc1O)Cl 34a_100000238540_100011218213 [0,2,0,0,0,0|2,0,0]=4 20897 B13R1.656 CSCOCc1cc(ccc1Br)Br 34a_100011266457_100011218213 [0,2,0,0,0,0|1,1,0]=4 20898 B13R1.656 CSCOCc1cc(ccc1Br)C 34a_100012361352_100011218213 [0,2,0,0,0,0|1,1,0]=4 20899 B13R1.656 CSCOCc1cc(ccc1Br)Cl 34a_100012355668_100011218213 [0,2,0,0,0,0|1,1,0]=4 20900 B13R1.656 CSCOCc1cc(ccc1Br)F 34a_100011217561_100011218213 [0,2,0,0,0,0|1,1,0]=4 20901 B13R1.656 CSCOCc1cc(ccc1Br)N 34a_100012347228_100011218213 [0,2,0,0,0,0|1,1,0]=4 20902 B13R1.656 CSCOCc1cc(ccc1C)Br 34a_100000700630_100011218213 [0,2,0,0,0,0|2,0,0]=4 20903 B13R1.656 CSCOCc1cc(ccc1C)C 34a_200011215349_100011218213 [0,2,0,0,0,0|2,0,0]=4 20904 B13R1.656 CSCOCc1cc(ccc1C)Cl 34a_100012002407_100011218213 [0,2,0,0,0,0|2,0,0]=4 20905 B13R1.656 CSCOCc1cc(ccc1C)F 34a_100011219218_100011218213 [0,2,0,0,0,0|2,0,0]=4 20906 B13R1.656 CSCOCc1cc(ccc1C)I 34a_100010150140_100011218213 [0,2,0,0,0,0|2,0,0]=4 20907 B13R1.656 CSCOCc1cc(ccc1Cl)Br 34a_100011215897_100011218213 [0,2,0,0,0,0|1,0,0]=3 20908 B13R1.656 CSCOCc1cc(ccc1Cl)C 34a_100009878994_100011218213 [0,2,0,0,0,0|1,0,0]=3 20909 B13R1.656 CSCOCc1cc(ccc1Cl)Cl 34a_100000698905_100011218213 [0,2,0,0,0,0|1,0,0]=3 20910 B13R1.656 CSCOCc1cc(ccc1Cl)F 34a_100011218361_100011218213 [0,2,0,0,0,0|1,0,0]=3 20911 B13R1.656 CSCOCc1cc(ccc1Cl)I 34a_100010128486_100011218213 [0,2,0,0,0,0|1,0,0]=3 20912 B13R1.656 CSCOCc1cc(ccc1Cl)N 34a_100011273577_100011218213 [0,2,0,0,0,0|1,0,0]=3 20913 B13R1.656 CSCOCc1cc(ccc1F)Br 34a_100000246282_100011218213 [0,2,0,0,0,0|1,1,0]=4 20914 B13R1.656 CSCOCc1cc(ccc1F)C 34a_100011692775_100011218213 [0,2,0,0,0,0|1,1,0]=4 20915 B13R1.656 CSCOCc1cc(ccc1F)Cl 34a_100011217248_100011218213 [0,2,0,0,0,0|1,1,0]=4 20916 B13R1.656 CSCOCc1cc(ccc1F)F 34a_100011217725_100011218213 [0,2,0,0,0,0|1,1,0]=4 20917 B13R1.656 CSCOCc1cc(ccc1F)I 34a_100000049604_100011218213 [0,2,0,0,0,0|1,1,0]=4 20918 B13R1.656 CSCOCc1cc(ccc1F)N 34a_100011218011_100011218213 [0,2,0,0,0,0|1,1,0]=4 20919 B13R1.656 CSCOCc1cc(ccc1I)Br 34a_100011356890_100011218213 [0,2,0,0,0,0|1,1,0]=4 20920 B13R1.656 CSCOCc1cc(ccc1I)F 34a_100010255287_100011218213 [0,2,0,0,0,0|1,1,0]=4 20921 B13R1.656 CSCOCc1cc(ccc1N)Br 34a_100012353972_100011218213 [0,2,0,0,0,0|2,0,0]=4 20922 B13R1.656 CSCOCc1cc(ccc1N)C 34a_100011215565_100011218213 [0,2,0,0,0,0|2,0,0]=4 20923 B13R1.656 CSCOCc1cc(ccc1N)Cl 34a_100011214999_100011218213 [0,2,0,0,0,0|2,0,0]=4 20924 B13R1.656 CSCOCc1cc(ccc1N)F 34a_100011296978_100011218213 [0,2,0,0,0,0|2,0,0]=4 20925 B13R1.656 CSCOCc1cc(cnc1Cl)Br 34a_100000734252_100011218213 [0,2,0,0,0,0|2,0,0]=4 20926 B13R1.656 CSCOCc1cc(cnc1Cl)C 34a_100000118064_100011218213 [0,2,0,0,0,0|2,0,0]=4 20927 B13R1.656 CSCOCc1cc(cnc1Cl)Cl 34a_100000084153_100011218213 [0,2,0,0,0,0|2,0,0]=4 20928 B13R1.656 CSCOCc1cc(cnc1Cl)F 34a_100000079972_100011218213 [0,2,0,0,0,0|2,0,0]=4 20929 B13R1.656 CSCOCc1cc(ncc1Cl)Cl 34a_100000081519_100011218213 [0,2,0,0,0,0|2,0,0]=4 20930 B13R1.656 CSCOCc1nc(ccc1Cl)Cl 34a_100000749784_100011218213 [0,2,0,0,0,0|2,0,0]=4 20931 B13R1.656 CSCSCc1cc(ccc1Br)Br 62a_100011218213_100011982794 [0,2,0,0,0,0|1,1,0]=4 20932 B13R1.656 CSCSCc1cc(ccc1Br)Br 62a_100011982794_100011218213 [0,2,0,0,0,0|1,1,0]=4 20933 B13R1.656 CSCSCc1cc(ccc1Br)Cl 62a_100000733903_100011218213 [0,2,0,0,0,0|1,1,0]=4 20934 B13R1.656 CSCSCc1cc(ccc1Br)Cl 62a_100011218213_100000733903 [0,2,0,0,0,0|1,1,0]=4 20935 B13R1.656 CSCSCc1cc(ccc1Br)F 62a_100000736370_100011218213 [0,2,0,0,0,0|1,1,0]=4 20936 B13R1.656 CSCSCc1cc(ccc1Br)F 62a_100011218213_100000736370 [0,2,0,0,0,0|1,1,0]=4 20937 B13R1.656 CSCSCc1cc(ccc1Br)I 62a_100011218213_100012355412 [0,2,0,0,0,0|1,1,0]=4 20938 B13R1.656 CSCSCc1cc(ccc1Br)I 62a_100012355412_100011218213 [0,2,0,0,0,0|1,1,0]=4 20939 B13R1.656 CSCSCc1cc(ccc1C)C 62a_100000184699_100011218213 [0,2,0,0,0,0|2,0,0]=4 20940 B13R1.656 CSCSCc1cc(ccc1C)C 62a_100011218213_100000184699 [0,2,0,0,0,0|2,0,0]=4 20941 B13R1.656 CSCSCc1cc(ccc1C)Cl 62a_100011218213_100012186985 [0,2,0,0,0,0|2,0,0]=4 20942 B13R1.656 CSCSCc1cc(ccc1C)Cl 62a_100012186985_100011218213 [0,2,0,0,0,0|2,0,0]=4 20943 B13R1.656 CSCSCc1cc(ccc1C)F 62a_100000709795_100011218213 [0,2,0,0,0,0|2,0,0]=4 20944 B13R1.656 CSCSCc1cc(ccc1C)F 62a_100011218213_100000709795 [0,2,0,0,0,0|2,0,0]=4 20945 B13R1.656 CSCSCc1cc(ccc1Cl)Br 62a_100000763347_100011218213 [0,2,0,0,0,0|1,0,0]=3 20946 B13R1.656 CSCSCc1cc(ccc1Cl)Br 62a_100011218213_100000763347 [0,2,0,0,0,0|1,0,0]=3 20947 B13R1.656 CSCSCc1cc(ccc1Cl)C 62a_100009871730_100011218213 [0,2,0,0,0,0|1,0,0]=3 20948 B13R1.656 CSCSCc1cc(ccc1Cl)C 62a_100011218213_100009871730 [0,2,0,0,0,0|1,0,0]=3 20949 B13R1.656 CSCSCc1cc(ccc1Cl)Cl 62a_100000756322_100011218213 [0,2,0,0,0,0|1,0,0]=3 20950 B13R1.656 CSCSCc1cc(ccc1Cl)Cl 62a_100011218213_100000756322 [0,2,0,0,0,0|1,0,0]=3 20951 B13R1.656 CSCSCc1cc(ccc1Cl)F 62a_100000709952_100011218213 [0,2,0,0,0,0|1,0,0]=3 20952 B13R1.656 CSCSCc1cc(ccc1Cl)F 62a_100011218213_100000709952 [0,2,0,0,0,0|1,0,0]=3 20953 B13R1.656 CSCSCc1cc(ccc1Cl)I 62a_100010188191_100011218213 [0,2,0,0,0,0|1,0,0]=3 20954 B13R1.656 CSCSCc1cc(ccc1Cl)I 62a_100011218213_100010188191 [0,2,0,0,0,0|1,0,0]=3 20955 B13R1.656 CSCSCc1cc(ccc1F)Br 62a_100000736399_100011218213 [0,2,0,0,0,0|1,1,0]=4 20956 B13R1.656 CSCSCc1cc(ccc1F)Br 62a_100011218213_100000736399 [0,2,0,0,0,0|1,1,0]=4 20957 B13R1.656 CSCSCc1cc(ccc1F)C 62a_100011218213_100011260760 [0,2,0,0,0,0|1,1,0]=4 20958 B13R1.656 CSCSCc1cc(ccc1F)C 62a_100011260760_100011218213 [0,2,0,0,0,0|1,1,0]=4 20959 B13R1.656 CSCSCc1cc(ccc1F)Cl 62a_100000716957_100011218213 [0,2,0,0,0,0|1,1,0]=4 20960 B13R1.656 CSCSCc1cc(ccc1F)Cl 62a_100011218213_100000716957 [0,2,0,0,0,0|1,1,0]=4 20961 B13R1.656 CSCSCc1cc(ccc1F)F 62a_100000685659_100011218213 [0,2,0,0,0,0|1,1,0]=4 20962 B13R1.656 CSCSCc1cc(ccc1F)F 62a_100011218213_100000685659 [0,2,0,0,0,0|1,1,0]=4 20963 B13R1.656 CSCSCc1cc(ccc1F)I 62a_100011218213_200010149601 [0,2,0,0,0,0|1,1,0]=4 20964 B13R1.656 CSCSCc1cc(ccc1F)I 62a_200010149601_100011218213 [0,2,0,0,0,0|1,1,0]=4 20965 B13R1.656 CSCSCc1cc(ccc1I)Br 62a_100011218213_100012362523 [0,2,0,0,0,0|1,1,0]=4 20966 B13R1.656 CSCSCc1cc(ccc1I)Br 62a_100012362523_100011218213 [0,2,0,0,0,0|1,1,0]=4 20967 B13R1.656 CSCSCc1cc(ccc1I)Cl 62a_100011218213_100012348826 [0,2,0,0,0,0|1,1,0]=4 20968 B13R1.656 CSCSCc1cc(ccc1I)Cl 62a_100012348826_100011218213 [0,2,0,0,0,0|1,1,0]=4 20969 B13R1.656 CSCSCc1cc(ccc1I)F 62a_100010149606_100011218213 [0,2,0,0,0,0|1,1,0]=4 20970 B13R1.656 CSCSCc1cc(ccc1I)F 62a_100011218213_100010149606 [0,2,0,0,0,0|1,1,0]=4 20971 B13R1.656 CSCSCc1cc(ccc1O)F 62a_100010161318_100011218213 [0,2,0,0,0,0|2,0,0]=4 20972 B13R1.656 CSCSCc1cc(ccc1O)F 62a_100011218213_100010161318 [0,2,0,0,0,0|2,0,0]=4 20973 B13R1.656 CSCSCc1cc(cnc1Cl)Br 62a_100009816982_100011218213 [0,2,0,0,0,0|2,0,0]=4 20974 B13R1.656 CSCSCc1cc(cnc1Cl)Br 62a_100011218213_100009816982 [0,2,0,0,0,0|2,0,0]=4 20975 B13R1.656 CSCSCc1nc(ccc1Cl)C 62a_100011218213_200009852033 [0,2,0,0,0,0|2,0,0]=4 20976 B13R1.656 CSCSCc1nc(ccc1Cl)C 62a_200009852033_100011218213 [0,2,0,0,0,0|2,0,0]=4 20977 B13R1.656 CSCSCc1nc(ccc1Cl)Cl 62a_100000059412_100011218213 [0,2,0,0,0,0|2,0,0]=4 20978 B13R1.656 CSCSCc1nc(ccc1Cl)Cl 62a_100011218213_100000059412 [0,2,0,0,0,0|2,0,0]=4 20979 B13R1.656 Cc1ccc(c(c1)CCNCF)C 34a_200011485678_100015361967 [0,2,0,0,0,0|1,0,0]=3 20980 B13R1.656 Cc1ccc(c(c1)CCOCF)C 34a_100011694955_100015361967 [0,2,0,0,0,0|2,0,0]=4 20981 B13R1.656 Cc1ccc(c(c1)CCOCF)C 7a_100011694955_100015361967 [0,2,0,0,0,0|2,0,0]=4 20982 B13R1.656 Cc1ccc(c(c1)CNCC#N)Cl 2230a_100025705715_100011215382 [0,2,0,0,0,0|2,0,0]=4 20983 B13R1.656 Cc1ccc(c(c1)CNCC=O)Cl 2230a_100025705715_200015260668 [0,2,0,0,0,0|2,0,0]=4 20984 B13R1.656 Cc1ccc(c(c1)CNCC=O)Cl 34a_100025705715_200009817547 [0,2,0,0,0,0|2,0,0]=4 20985 B13R1.656 Cc1ccc(c(c1)CNCCF)Cl 2230a_100025705715_100011217306 [0,2,0,0,0,0|2,0,0]=4 20986 B13R1.656 Cc1ccc(c(c1)CNCCF)Cl 34a_100000724931_100009871730 [0,2,0,0,0,0|2,0,0]=4 20987 B13R1.656 Cc1ccc(c(c1)CNCCF)Cl 34a_100025705715_100011217306 [0,2,0,0,0,0|2,0,0]=4 20988 B13R1.656 Cc1ccc(c(c1)CNCCO)Cl 207a_100000210304_100011551332 [0,2,0,0,0,0|2,0,0]=4 20989 B13R1.656 Cc1ccc(c(c1)CNCCO)Cl 2230a_100016997473_100009871730 [0,2,0,0,0,0|2,0,0]=4 20990 B13R1.656 Cc1ccc(c(c1)CNCCO)Cl 2230a_100025705715_100000211926 [0,2,0,0,0,0|2,0,0]=4 20991 B13R1.656 Cc1ccc(c(c1)CNCCO)Cl 270004a_100000210304_100011551332 [0,2,0,0,0,0|2,0,0]=4 20992 B13R1.656 Cc1ccc(c(c1)CNCCO)Cl 34a_100016990907_100009871730 [0,2,0,0,0,0|2,0,0]=4 20993 B13R1.656 Cc1ccc(c(c1)CNCCO)Cl 34a_100025705715_100000211926 [0,2,0,0,0,0|2,0,0]=4 20994 B13R1.656 Cc1ccc(c(c1)COCC#N)Cl 7a_100009878994_100011215382 [0,2,0,0,0,0|2,0,0]=4 20995 B13R1.656 Cc1ccc(c(c1)COCC=O)Cl 34a_100009878994_200009817547 [0,2,0,0,0,0|2,0,0]=4 20996 B13R1.656 Cc1ccc(c(c1)COCC=O)Cl 7a_100009878994_200015260668 [0,2,0,0,0,0|2,0,0]=4 20997 B13R1.656 Cc1ccc(c(c1)COCCBr)Cl 34a_100000211926_100009871730 [0,2,0,0,0,0|2,0,0]=4 20998 B13R1.656 Cc1ccc(c(c1)COCCF)Cl 34a_100009878994_100011217306 [0,2,0,0,0,0|2,0,0]=4 20999 B13R1.656 Cc1ccc(c(c1)COCCF)Cl 7a_100009878994_100011217306 [0,2,0,0,0,0|2,0,0]=4 21000 B13R1.656 Cc1ccc(c(c1)COCCN)Cl 34a_100000210304_100009871730 [0,2,0,0,0,0|2,0,0]=4 21001 B13R1.656 Cc1ccc(c(c1)COCCO)Cl 34a_100009878994_100000211926 [0,2,0,0,0,0|2,0,0]=4 21002 B13R1.656 Cc1ccc(c(c1)COCCO)Cl 7a_100009878994_100000211926 [0,2,0,0,0,0|2,0,0]=4 21003 B13R1.656 Cc1ccc(c(c1)CSCC#N)Cl 62a_100009871730_100011215382 [0,2,0,0,0,0|2,0,0]=4 21004 B13R1.656 Cc1ccc(c(c1)CSCC#N)Cl 62a_100011215382_100009871730 [0,2,0,0,0,0|2,0,0]=4 21005 B13R1.656 Cc1ccc(c(c1)CSCC=O)Cl 62a_100009871730_200015260668 [0,2,0,0,0,0|2,0,0]=4 21006 B13R1.656 Cc1ccc(c(c1)CSCC=O)Cl 62a_200015260668_100009871730 [0,2,0,0,0,0|2,0,0]=4 21007 B13R1.656 Cc1ccc(c(c1)CSCCF)Cl 62a_100009871730_100011217306 [0,2,0,0,0,0|2,0,0]=4 21008 B13R1.656 Cc1ccc(c(c1)CSCCF)Cl 62a_100011217306_100009871730 [0,2,0,0,0,0|2,0,0]=4 21009 B13R1.656 Cc1ccc(c(c1)CSCCO)Cl 62a_100000211926_100009871730 [0,2,0,0,0,0|2,0,0]=4 21010 B13R1.656 Cc1ccc(c(c1)CSCCO)Cl 62a_100009871730_100000211926 [0,2,0,0,0,0|2,0,0]=4 21011 B13R1.656 Cc1ccc(c(c1)NCCCF)Cl 34a_100011215360_100011934791 [0,2,0,0,0,0|2,0,0]=4 21012 B13R1.656 Cc1ccc(c(c1)NCCCO)Cl 34a_100011215360_100000230001 [0,2,0,0,0,0|2,0,0]=4 21013 B13R1.656 Cc1ccc(c(c1)OCCC#N)Cl 7a_100000211493_100000184422 [0,2,0,0,0,0|2,0,0]=4 21014 B13R1.656 Cc1ccc(c(c1)OCCCF)Cl 34a_100000211493_100011934791 [0,2,0,0,0,0|2,0,0]=4 21015 B13R1.656 Cc1ccc(c(c1)OCCCF)Cl 7a_100000211493_100011934791 [0,2,0,0,0,0|2,0,0]=4 21016 B13R1.656 Cc1ccc(c(c1)OCCCO)Cl 34a_100000211493_100000230001 [0,2,0,0,0,0|2,0,0]=4 21017 B13R1.656 Cc1ccc(c(c1)OCCCO)Cl 7a_100000211493_100011215043 [0,2,0,0,0,0|2,0,0]=4 21018 B13R1.656 Cc1ccc(c(c1)OCCN[13CH3])C 2230a_100015184080_200025704644 [0,2,0,0,0,0|1,0,0]=3 21019 B13R1.656 Cc1ccc(c(c1)OCCN[13CH3])C 34a_100015184080_200025704644 [0,2,0,0,0,0|1,0,0]=3 21020 B13R1.656 Cc1ccc(c(c1)OCCS[13CH3])Cl 62a_100011277402_200025704644 [0,2,0,0,0,0|1,0,0]=3 21021 B13R1.656 Cc1ccc(c(c1)OCCS[13CH3])Cl 62a_200025704644_100011277402 [0,2,0,0,0,0|1,0,0]=3 21022 B13R1.656 Cc1ccc(c(c1)SCCC#N)Cl 62a_100011215226_100012356289 [0,2,0,0,0,0|2,0,0]=4 21023 B13R1.656 Cc1ccc(c(c1)SCCC#N)Cl 62a_100012356289_100011215226 [0,2,0,0,0,0|2,0,0]=4 21024 B13R1.656 Cc1ccc(c(c1)SCCCF)Cl 62a_100011934791_100012356289 [0,2,0,0,0,0|2,0,0]=4 21025 B13R1.656 Cc1ccc(c(c1)SCCCF)Cl 62a_100012356289_100011934791 [0,2,0,0,0,0|2,0,0]=4 21026 B13R1.656 Cc1ccc(c(c1)SCCCO)Cl 62a_100011215043_100012356289 [0,2,0,0,0,0|2,0,0]=4 21027 B13R1.656 Cc1ccc(c(c1)SCCCO)Cl 62a_100012356289_100011215043 [0,2,0,0,0,0|2,0,0]=4 21028 B13R1.656 Clc1ccc(c(c1)COCCBr)Cl 34a_100000211926_100000756322 [0,2,0,0,0,0|2,0,0]=4 21029 B13R1.656 Clc1ccc(cc1COCCBr)Br 34a_100000211926_100000763347 [0,2,0,0,0,0|2,0,0]=4 21030 B13R1.656 Clc1ccc(cc1COCCBr)I 34a_100000211926_100010188191 [0,2,0,0,0,0|2,0,0]=4 21031 B13R1.656 FCCCNc1cc(ccc1Cl)Br 34a_100000750497_100011934791 [0,2,0,0,0,0|2,0,0]=4 21032 B13R1.656 FCCCNc1cc(ccc1Cl)Cl 34a_100000184485_100011934791 [0,2,0,0,0,0|2,0,0]=4 21033 B13R1.656 FCCCNc1cc(ccc1Cl)F 34a_100000751338_100011934791 [0,2,0,0,0,0|2,0,0]=4 21034 B13R1.656 FCCCNc1cc(ccc1Cl)I 34a_200000761891_100011934791 [0,2,0,0,0,0|2,0,0]=4 21035 B13R1.656 FCCCOc1cc(ccc1Cl)Br 34a_100000738945_100011934791 [0,2,0,0,0,0|2,0,0]=4 21036 B13R1.656 FCCCOc1cc(ccc1Cl)Br 7a_100000738945_100011934791 [0,2,0,0,0,0|2,0,0]=4 21037 B13R1.656 FCCCOc1cc(ccc1Cl)Cl 34a_100000211422_100011934791 [0,2,0,0,0,0|2,0,0]=4 21038 B13R1.656 FCCCOc1cc(ccc1Cl)Cl 7a_100000211422_100011934791 [0,2,0,0,0,0|2,0,0]=4 21039 B13R1.656 FCCCOc1cc(ccc1Cl)F 34a_100000692107_100011934791 [0,2,0,0,0,0|2,0,0]=4 21040 B13R1.656 FCCCOc1cc(ccc1Cl)F 7a_100000692107_100011934791 [0,2,0,0,0,0|2,0,0]=4 21041 B13R1.656 FCCCOc1cc(ccc1Cl)I 34a_100011356854_100011934791 [0,2,0,0,0,0|2,0,0]=4 21042 B13R1.656 FCCCOc1cc(ccc1Cl)I 7a_100011356854_100011934791 [0,2,0,0,0,0|2,0,0]=4 21043 B13R1.656 FCCCSc1cc(ccc1Cl)Br 62a_100011772130_100011934791 [0,2,0,0,0,0|2,0,0]=4 21044 B13R1.656 FCCCSc1cc(ccc1Cl)Br 62a_100011934791_100011772130 [0,2,0,0,0,0|2,0,0]=4 21045 B13R1.656 FCCCSc1cc(ccc1Cl)Cl 62a_100000707729_100011934791 [0,2,0,0,0,0|2,0,0]=4 21046 B13R1.656 FCCCSc1cc(ccc1Cl)Cl 62a_100011934791_100000707729 [0,2,0,0,0,0|2,0,0]=4 21047 B13R1.656 FCCCSc1cc(ccc1Cl)F 62a_100011217299_100011934791 [0,2,0,0,0,0|2,0,0]=4 21048 B13R1.656 FCCCSc1cc(ccc1Cl)F 62a_100011934791_100011217299 [0,2,0,0,0,0|2,0,0]=4 21049 B13R1.656 FCCNCc1cc(ccc1Cl)Br 34a_100000724931_100000763347 [0,2,0,0,0,0|2,0,0]=4 21050 B13R1.656 FCCNCc1cc(ccc1Cl)Br 34a_100025772652_100011217306 [0,2,0,0,0,0|2,0,0]=4 21051 B13R1.656 FCCNCc1cc(ccc1Cl)Cl 34a_100000724931_100000756322 [0,2,0,0,0,0|2,0,0]=4 21052 B13R1.656 FCCNCc1cc(ccc1Cl)Cl 34a_100102946428_100011217306 [0,2,0,0,0,0|2,0,0]=4 21053 B13R1.656 FCCNCc1cc(ccc1Cl)F 2230a_100011830483_100011217306 [0,2,0,0,0,0|2,0,0]=4 21054 B13R1.656 FCCNCc1cc(ccc1Cl)F 34a_100000724931_100000709952 [0,2,0,0,0,0|2,0,0]=4 21055 B13R1.656 FCCNCc1cc(ccc1Cl)F 34a_100011830483_100011217306 [0,2,0,0,0,0|2,0,0]=4 21056 B13R1.656 FCCNCc1cc(ccc1Cl)I 34a_100000724931_100010188191 [0,2,0,0,0,0|2,0,0]=4 21057 B13R1.656 FCCOCc1cc(ccc1Cl)Br 34a_100011215897_100011217306 [0,2,0,0,0,0|2,0,0]=4 21058 B13R1.656 FCCOCc1cc(ccc1Cl)Br 7a_100011215897_100011217306 [0,2,0,0,0,0|2,0,0]=4 21059 B13R1.656 FCCOCc1cc(ccc1Cl)Cl 34a_100000698905_100011217306 [0,2,0,0,0,0|2,0,0]=4 21060 B13R1.656 FCCOCc1cc(ccc1Cl)Cl 7a_100000698905_100011217306 [0,2,0,0,0,0|2,0,0]=4 21061 B13R1.656 FCCOCc1cc(ccc1Cl)F 34a_100011218361_100011217306 [0,2,0,0,0,0|2,0,0]=4 21062 B13R1.656 FCCOCc1cc(ccc1Cl)F 7a_100011218361_100011217306 [0,2,0,0,0,0|2,0,0]=4 21063 B13R1.656 FCCOCc1cc(ccc1Cl)I 34a_100010128486_100011217306 [0,2,0,0,0,0|2,0,0]=4 21064 B13R1.656 FCCOCc1cc(ccc1Cl)I 7a_100010128486_100011217306 [0,2,0,0,0,0|2,0,0]=4 21065 B13R1.656 FCCSCc1cc(ccc1Cl)Br 62a_100000763347_100011217306 [0,2,0,0,0,0|2,0,0]=4 21066 B13R1.656 FCCSCc1cc(ccc1Cl)Br 62a_100011217306_100000763347 [0,2,0,0,0,0|2,0,0]=4 21067 B13R1.656 FCCSCc1cc(ccc1Cl)Cl 62a_100000756322_100011217306 [0,2,0,0,0,0|2,0,0]=4 21068 B13R1.656 FCCSCc1cc(ccc1Cl)Cl 62a_100011217306_100000756322 [0,2,0,0,0,0|2,0,0]=4 21069 B13R1.656 FCCSCc1cc(ccc1Cl)F 62a_100000709952_100011217306 [0,2,0,0,0,0|2,0,0]=4 21070 B13R1.656 FCCSCc1cc(ccc1Cl)F 62a_100011217306_100000709952 [0,2,0,0,0,0|2,0,0]=4 21071 B13R1.656 FCCSCc1cc(ccc1Cl)I 62a_100010188191_100011217306 [0,2,0,0,0,0|2,0,0]=4 21072 B13R1.656 FCCSCc1cc(ccc1Cl)I 62a_100011217306_100010188191 [0,2,0,0,0,0|2,0,0]=4 21073 B13R1.656 FCNCCc1cc(ccc1Cl)Cl 34a_100000705354_100015361967 [0,2,0,0,0,0|0,0,0]=2 21074 B13R1.656 FCNCCc1cc(ccc1F)Cl 34a_200011997525_100015361967 [0,2,0,0,0,0|0,1,0]=3 21075 B13R1.656 FCOCCc1cc(ccc1Br)Cl 34a_100012426913_100015361967 [0,2,0,0,0,0|1,1,0]=4 21076 B13R1.656 FCOCCc1cc(ccc1Br)Cl 7a_100012426913_100015361967 [0,2,0,0,0,0|1,1,0]=4 21077 B13R1.656 FCOCCc1cc(ccc1Cl)Cl 34a_100011754359_100015361967 [0,2,0,0,0,0|1,0,0]=3 21078 B13R1.656 FCOCCc1cc(ccc1Cl)Cl 7a_100011754359_100015361967 [0,2,0,0,0,0|1,0,0]=3 21079 B13R1.656 FCOCCc1cc(ccc1F)F 34a_100011755048_100015361967 [0,2,0,0,0,0|1,1,0]=4 21080 B13R1.656 FCOCCc1cc(ccc1F)F 7a_100011755048_100015361967 [0,2,0,0,0,0|1,1,0]=4 21081 B13R1.656 FCSCCc1cc(ccc1F)F 62a_100011755056_100015361967 [0,2,0,0,0,0|1,1,0]=4 21082 B13R1.656 FCSCCc1cc(ccc1F)F 62a_100015361967_100011755056 [0,2,0,0,0,0|1,1,0]=4 21083 B13R1.656 Fc1ccc(c(c1)COCCBr)Cl 34a_100000211926_100000709952 [0,2,0,0,0,0|2,0,0]=4 21084 B13R1.656 N#CCCOc1cc(ccc1Cl)Br 7a_100000738945_100000184422 [0,2,0,0,0,0|2,0,0]=4 21085 B13R1.656 N#CCCOc1cc(ccc1Cl)Cl 7a_100000211422_100000184422 [0,2,0,0,0,0|2,0,0]=4 21086 B13R1.656 N#CCCOc1cc(ccc1Cl)F 7a_100000692107_100000184422 [0,2,0,0,0,0|2,0,0]=4 21087 B13R1.656 N#CCCOc1cc(ccc1Cl)I 7a_100011356854_100000184422 [0,2,0,0,0,0|2,0,0]=4 21088 B13R1.656 N#CCCSc1cc(ccc1Cl)Br 62a_100011215226_100011772130 [0,2,0,0,0,0|2,0,0]=4 21089 B13R1.656 N#CCCSc1cc(ccc1Cl)Br 62a_100011772130_100011215226 [0,2,0,0,0,0|2,0,0]=4 21090 B13R1.656 N#CCCSc1cc(ccc1Cl)Cl 62a_100000707729_100011215226 [0,2,0,0,0,0|2,0,0]=4 21091 B13R1.656 N#CCCSc1cc(ccc1Cl)Cl 62a_100011215226_100000707729 [0,2,0,0,0,0|2,0,0]=4 21092 B13R1.656 N#CCCSc1cc(ccc1Cl)F 62a_100011215226_100011217299 [0,2,0,0,0,0|2,0,0]=4 21093 B13R1.656 N#CCCSc1cc(ccc1Cl)F 62a_100011217299_100011215226 [0,2,0,0,0,0|2,0,0]=4 21094 B13R1.656 N#CCCSc1cc(ccc1Cl)N 62a_100011215226_100012360549 [0,2,0,0,0,0|2,0,0]=4 21095 B13R1.656 N#CCCSc1cc(ccc1Cl)N 62a_100012360549_100011215226 [0,2,0,0,0,0|2,0,0]=4 21096 B13R1.656 N#CCCSc1cc(ccc1Cl)O 62a_100000049588_100011215226 [0,2,0,0,0,0|2,0,0]=4 21097 B13R1.656 N#CCCSc1cc(ccc1Cl)O 62a_100011215226_100000049588 [0,2,0,0,0,0|2,0,0]=4 21098 B13R1.656 N#CCNCc1cc(ccc1Cl)F 2230a_100011830483_100011215382 [0,2,0,0,0,0|2,0,0]=4 21099 B13R1.656 N#CCOCc1cc(ccc1Cl)Br 7a_100011215897_100011215382 [0,2,0,0,0,0|2,0,0]=4 21100 B13R1.656 N#CCOCc1cc(ccc1Cl)Cl 7a_100000698905_100011215382 [0,2,0,0,0,0|2,0,0]=4 21101 B13R1.656 N#CCOCc1cc(ccc1Cl)F 7a_100011218361_100011215382 [0,2,0,0,0,0|2,0,0]=4 21102 B13R1.656 N#CCOCc1cc(ccc1Cl)I 7a_100010128486_100011215382 [0,2,0,0,0,0|2,0,0]=4 21103 B13R1.656 N#CCSCc1cc(ccc1Cl)Br 62a_100000763347_100011215382 [0,2,0,0,0,0|2,0,0]=4 21104 B13R1.656 N#CCSCc1cc(ccc1Cl)Br 62a_100011215382_100000763347 [0,2,0,0,0,0|2,0,0]=4 21105 B13R1.656 N#CCSCc1cc(ccc1Cl)Cl 62a_100000756322_100011215382 [0,2,0,0,0,0|2,0,0]=4 21106 B13R1.656 N#CCSCc1cc(ccc1Cl)Cl 62a_100011215382_100000756322 [0,2,0,0,0,0|2,0,0]=4 21107 B13R1.656 N#CCSCc1cc(ccc1Cl)F 62a_100000709952_100011215382 [0,2,0,0,0,0|2,0,0]=4 21108 B13R1.656 N#CCSCc1cc(ccc1Cl)F 62a_100011215382_100000709952 [0,2,0,0,0,0|2,0,0]=4 21109 B13R1.656 N#CCSCc1cc(ccc1Cl)I 62a_100010188191_100011215382 [0,2,0,0,0,0|2,0,0]=4 21110 B13R1.656 N#CCSCc1cc(ccc1Cl)I 62a_100011215382_100010188191 [0,2,0,0,0,0|2,0,0]=4 21111 B13R1.656 NCCOCc1cc(ccc1Cl)Br 34a_100000210304_100000763347 [0,2,0,0,0,0|2,0,0]=4 21112 B13R1.656 NCCOCc1cc(ccc1Cl)Cl 34a_100000210304_100000756322 [0,2,0,0,0,0|2,0,0]=4 21113 B13R1.656 NCCOCc1cc(ccc1Cl)F 34a_100000210304_100000709952 [0,2,0,0,0,0|2,0,0]=4 21114 B13R1.656 NCCOCc1cc(ccc1Cl)I 34a_100000210304_100010188191 [0,2,0,0,0,0|2,0,0]=4 21115 B13R1.656 Nc1ccc(c(c1)COCC=O)Cl 34a_100011273577_200009817547 [0,2,0,0,0,0|2,0,0]=4 21116 B13R1.656 Nc1ccc(c(c1)COCCF)Cl 34a_100011273577_100011217306 [0,2,0,0,0,0|2,0,0]=4 21117 B13R1.656 Nc1ccc(c(c1)COCCO)Cl 34a_100011273577_100000211926 [0,2,0,0,0,0|2,0,0]=4 21118 B13R1.656 Nc1ccc(c(c1)OCCCF)Cl 34a_100011934209_100011934791 [0,2,0,0,0,0|2,0,0]=4 21119 B13R1.656 Nc1ccc(c(c1)OCCCO)Cl 34a_100011934209_100000230001 [0,2,0,0,0,0|2,0,0]=4 21120 B13R1.656 Nc1ccc(c(c1)SCCCF)Cl 62a_100011934791_100012360549 [0,2,0,0,0,0|2,0,0]=4 21121 B13R1.656 Nc1ccc(c(c1)SCCCF)Cl 62a_100012360549_100011934791 [0,2,0,0,0,0|2,0,0]=4 21122 B13R1.656 Nc1ccc(c(c1)SCCCO)Cl 62a_100011215043_100012360549 [0,2,0,0,0,0|2,0,0]=4 21123 B13R1.656 Nc1ccc(c(c1)SCCCO)Cl 62a_100012360549_100011215043 [0,2,0,0,0,0|2,0,0]=4 21124 B13R1.656 O=CCNCc1cc(ccc1Cl)Br 34a_100025772652_200009817547 [0,2,0,0,0,0|2,0,0]=4 21125 B13R1.656 O=CCNCc1cc(ccc1Cl)Cl 34a_100102946428_200009817547 [0,2,0,0,0,0|2,0,0]=4 21126 B13R1.656 O=CCNCc1cc(ccc1Cl)F 2230a_100011830483_200015260668 [0,2,0,0,0,0|2,0,0]=4 21127 B13R1.656 O=CCNCc1cc(ccc1Cl)F 34a_100011830483_200009817547 [0,2,0,0,0,0|2,0,0]=4 21128 B13R1.656 O=CCOCc1cc(ccc1Cl)Br 34a_100011215897_200009817547 [0,2,0,0,0,0|2,0,0]=4 21129 B13R1.656 O=CCOCc1cc(ccc1Cl)Br 7a_100011215897_200015260668 [0,2,0,0,0,0|2,0,0]=4 21130 B13R1.656 O=CCOCc1cc(ccc1Cl)Cl 34a_100000698905_200009817547 [0,2,0,0,0,0|2,0,0]=4 21131 B13R1.656 O=CCOCc1cc(ccc1Cl)Cl 7a_100000698905_200015260668 [0,2,0,0,0,0|2,0,0]=4 21132 B13R1.656 O=CCOCc1cc(ccc1Cl)F 34a_100011218361_200009817547 [0,2,0,0,0,0|2,0,0]=4 21133 B13R1.656 O=CCOCc1cc(ccc1Cl)F 7a_100011218361_200015260668 [0,2,0,0,0,0|2,0,0]=4 21134 B13R1.656 O=CCOCc1cc(ccc1Cl)I 34a_100010128486_200009817547 [0,2,0,0,0,0|2,0,0]=4 21135 B13R1.656 O=CCOCc1cc(ccc1Cl)I 7a_100010128486_200015260668 [0,2,0,0,0,0|2,0,0]=4 21136 B13R1.656 O=CCSCc1cc(ccc1Cl)Br 62a_100000763347_200015260668 [0,2,0,0,0,0|2,0,0]=4 21137 B13R1.656 O=CCSCc1cc(ccc1Cl)Br 62a_200015260668_100000763347 [0,2,0,0,0,0|2,0,0]=4 21138 B13R1.656 O=CCSCc1cc(ccc1Cl)Cl 62a_100000756322_200015260668 [0,2,0,0,0,0|2,0,0]=4 21139 B13R1.656 O=CCSCc1cc(ccc1Cl)Cl 62a_200015260668_100000756322 [0,2,0,0,0,0|2,0,0]=4 21140 B13R1.656 O=CCSCc1cc(ccc1Cl)F 62a_100000709952_200015260668 [0,2,0,0,0,0|2,0,0]=4 21141 B13R1.656 O=CCSCc1cc(ccc1Cl)F 62a_200015260668_100000709952 [0,2,0,0,0,0|2,0,0]=4 21142 B13R1.656 O=CCSCc1cc(ccc1Cl)I 62a_100010188191_200015260668 [0,2,0,0,0,0|2,0,0]=4 21143 B13R1.656 O=CCSCc1cc(ccc1Cl)I 62a_200015260668_100010188191 [0,2,0,0,0,0|2,0,0]=4 21144 B13R1.656 OCCCNc1cc(ccc1Cl)Br 34a_100000750497_100000230001 [0,2,0,0,0,0|2,0,0]=4 21145 B13R1.656 OCCCNc1cc(ccc1Cl)Cl 34a_100000184485_100000230001 [0,2,0,0,0,0|2,0,0]=4 21146 B13R1.656 OCCCNc1cc(ccc1Cl)F 34a_100000751338_100000230001 [0,2,0,0,0,0|2,0,0]=4 21147 B13R1.656 OCCCNc1cc(ccc1Cl)I 34a_200000761891_100000230001 [0,2,0,0,0,0|2,0,0]=4 21148 B13R1.656 OCCCNc1cc(ccc1Cl)O 34a_100011934297_100000230001 [0,2,0,0,0,0|2,0,0]=4 21149 B13R1.656 OCCCOc1cc(ccc1Cl)Br 34a_100000738945_100000230001 [0,2,0,0,0,0|2,0,0]=4 21150 B13R1.656 OCCCOc1cc(ccc1Cl)Br 7a_100000738945_100011215043 [0,2,0,0,0,0|2,0,0]=4 21151 B13R1.656 OCCCOc1cc(ccc1Cl)Cl 34a_100000211422_100000230001 [0,2,0,0,0,0|2,0,0]=4 21152 B13R1.656 OCCCOc1cc(ccc1Cl)Cl 7a_100000211422_100011215043 [0,2,0,0,0,0|2,0,0]=4 21153 B13R1.656 OCCCOc1cc(ccc1Cl)F 34a_100000692107_100000230001 [0,2,0,0,0,0|2,0,0]=4 21154 B13R1.656 OCCCOc1cc(ccc1Cl)F 7a_100000692107_100011215043 [0,2,0,0,0,0|2,0,0]=4 21155 B13R1.656 OCCCOc1cc(ccc1Cl)I 34a_100011356854_100000230001 [0,2,0,0,0,0|2,0,0]=4 21156 B13R1.656 OCCCOc1cc(ccc1Cl)I 7a_100011356854_100011215043 [0,2,0,0,0,0|2,0,0]=4 21157 B13R1.656 OCCCSc1cc(ccc1Cl)Br 62a_100011215043_100011772130 [0,2,0,0,0,0|2,0,0]=4 21158 B13R1.656 OCCCSc1cc(ccc1Cl)Br 62a_100011772130_100011215043 [0,2,0,0,0,0|2,0,0]=4 21159 B13R1.656 OCCCSc1cc(ccc1Cl)Cl 62a_100000707729_100011215043 [0,2,0,0,0,0|2,0,0]=4 21160 B13R1.656 OCCCSc1cc(ccc1Cl)Cl 62a_100011215043_100000707729 [0,2,0,0,0,0|2,0,0]=4 21161 B13R1.656 OCCCSc1cc(ccc1Cl)F 62a_100011215043_100011217299 [0,2,0,0,0,0|2,0,0]=4 21162 B13R1.656 OCCCSc1cc(ccc1Cl)F 62a_100011217299_100011215043 [0,2,0,0,0,0|2,0,0]=4 21163 B13R1.656 OCCCSc1cc(ccc1Cl)O 62a_100000049588_100011215043 [0,2,0,0,0,0|2,0,0]=4 21164 B13R1.656 OCCCSc1cc(ccc1Cl)O 62a_100011215043_100000049588 [0,2,0,0,0,0|2,0,0]=4 21165 B13R1.656 OCCNCc1cc(ccc1Cl)Br 207a_100000210304_100000746309 [0,2,0,0,0,0|2,0,0]=4 21166 B13R1.656 OCCNCc1cc(ccc1Cl)Br 2230a_100016997473_100000763347 [0,2,0,0,0,0|2,0,0]=4 21167 B13R1.656 OCCNCc1cc(ccc1Cl)Br 270004a_100000210304_100000746309 [0,2,0,0,0,0|2,0,0]=4 21168 B13R1.656 OCCNCc1cc(ccc1Cl)Br 34a_100016990907_100000763347 [0,2,0,0,0,0|2,0,0]=4 21169 B13R1.656 OCCNCc1cc(ccc1Cl)Br 34a_100025772652_100000211926 [0,2,0,0,0,0|2,0,0]=4 21170 B13R1.656 OCCNCc1cc(ccc1Cl)Cl 207a_100000210304_100000746308 [0,2,0,0,0,0|2,0,0]=4 21171 B13R1.656 OCCNCc1cc(ccc1Cl)Cl 2230a_100016997473_100000756322 [0,2,0,0,0,0|2,0,0]=4 21172 B13R1.656 OCCNCc1cc(ccc1Cl)Cl 270004a_100000210304_100000746308 [0,2,0,0,0,0|2,0,0]=4 21173 B13R1.656 OCCNCc1cc(ccc1Cl)Cl 34a_100016990907_100000756322 [0,2,0,0,0,0|2,0,0]=4 21174 B13R1.656 OCCNCc1cc(ccc1Cl)Cl 34a_100102946428_100000211926 [0,2,0,0,0,0|2,0,0]=4 21175 B13R1.656 OCCNCc1cc(ccc1Cl)F 207a_100000210304_100011218309 [0,2,0,0,0,0|2,0,0]=4 21176 B13R1.656 OCCNCc1cc(ccc1Cl)F 2230a_100011830483_100000211926 [0,2,0,0,0,0|2,0,0]=4 21177 B13R1.656 OCCNCc1cc(ccc1Cl)F 2230a_100016997473_100000709952 [0,2,0,0,0,0|2,0,0]=4 21178 B13R1.656 OCCNCc1cc(ccc1Cl)F 270004a_100000210304_100011218309 [0,2,0,0,0,0|2,0,0]=4 21179 B13R1.656 OCCNCc1cc(ccc1Cl)F 34a_100011830483_100000211926 [0,2,0,0,0,0|2,0,0]=4 21180 B13R1.656 OCCNCc1cc(ccc1Cl)F 34a_100016990907_100000709952 [0,2,0,0,0,0|2,0,0]=4 21181 B13R1.656 OCCNCc1cc(ccc1Cl)I 207a_100000210304_100010254384 [0,2,0,0,0,0|2,0,0]=4 21182 B13R1.656 OCCNCc1cc(ccc1Cl)I 2230a_100016997473_100010188191 [0,2,0,0,0,0|2,0,0]=4 21183 B13R1.656 OCCNCc1cc(ccc1Cl)I 34a_100016990907_100010188191 [0,2,0,0,0,0|2,0,0]=4 21184 B13R1.656 OCCOCc1cc(ccc1Cl)Br 34a_100011215897_100000211926 [0,2,0,0,0,0|2,0,0]=4 21185 B13R1.656 OCCOCc1cc(ccc1Cl)Br 7a_100011215897_100000211926 [0,2,0,0,0,0|2,0,0]=4 21186 B13R1.656 OCCOCc1cc(ccc1Cl)Cl 34a_100000698905_100000211926 [0,2,0,0,0,0|2,0,0]=4 21187 B13R1.656 OCCOCc1cc(ccc1Cl)Cl 7a_100000698905_100000211926 [0,2,0,0,0,0|2,0,0]=4 21188 B13R1.656 OCCOCc1cc(ccc1Cl)F 34a_100011218361_100000211926 [0,2,0,0,0,0|2,0,0]=4 21189 B13R1.656 OCCOCc1cc(ccc1Cl)F 7a_100011218361_100000211926 [0,2,0,0,0,0|2,0,0]=4 21190 B13R1.656 OCCOCc1cc(ccc1Cl)I 34a_100010128486_100000211926 [0,2,0,0,0,0|2,0,0]=4 21191 B13R1.656 OCCOCc1cc(ccc1Cl)I 7a_100010128486_100000211926 [0,2,0,0,0,0|2,0,0]=4 21192 B13R1.656 OCCSCc1cc(ccc1Cl)Br 62a_100000211926_100000763347 [0,2,0,0,0,0|2,0,0]=4 21193 B13R1.656 OCCSCc1cc(ccc1Cl)Br 62a_100000763347_100000211926 [0,2,0,0,0,0|2,0,0]=4 21194 B13R1.656 OCCSCc1cc(ccc1Cl)Cl 62a_100000211926_100000756322 [0,2,0,0,0,0|2,0,0]=4 21195 B13R1.656 OCCSCc1cc(ccc1Cl)Cl 62a_100000756322_100000211926 [0,2,0,0,0,0|2,0,0]=4 21196 B13R1.656 OCCSCc1cc(ccc1Cl)F 62a_100000211926_100000709952 [0,2,0,0,0,0|2,0,0]=4 21197 B13R1.656 OCCSCc1cc(ccc1Cl)F 62a_100000709952_100000211926 [0,2,0,0,0,0|2,0,0]=4 21198 B13R1.656 OCCSCc1cc(ccc1Cl)I 62a_100000211926_100010188191 [0,2,0,0,0,0|2,0,0]=4 21199 B13R1.656 OCCSCc1cc(ccc1Cl)I 62a_100010188191_100000211926 [0,2,0,0,0,0|2,0,0]=4 21200 B13R1.656 Oc1ccc(c(c1)NCCCF)Cl 34a_100011934297_100011934791 [0,2,0,0,0,0|2,0,0]=4 21201 B13R1.656 Oc1ccc(c(c1)SCCCF)Cl 62a_100000049588_100011934791 [0,2,0,0,0,0|2,0,0]=4 21202 B13R1.656 Oc1ccc(c(c1)SCCCF)Cl 62a_100011934791_100000049588 [0,2,0,0,0,0|2,0,0]=4 21203 B13R1.656 [13CH3]NCCOc1cc(ccc1Cl)Cl 2230a_100025745517_200025704644 [0,2,0,0,0,0|0,0,0]=2 21204 B13R1.656 [13CH3]NCCOc1cc(ccc1Cl)Cl 34a_100025745517_200025704644 [0,2,0,0,0,0|0,0,0]=2 21205 B13R1.656 [13CH3]OCCSc1cc(ccc1Cl)Cl 34a_200000230675_200025704644 [0,2,0,0,0,0|1,0,0]=3 21206 B13R1.656 [13CH3]OCCSc1cc(ccc1Cl)Cl 7a_200000230675_200025704644 [0,2,0,0,0,0|1,0,0]=3 21207 B13R1.656 [13CH3]SCCOc1cc(ccc1Cl)Cl 62a_100000198575_200025704644 [0,2,0,0,0,0|1,0,0]=3 21208 B13R1.656 [13CH3]SCCOc1cc(ccc1Cl)Cl 62a_200025704644_100000198575 [0,2,0,0,0,0|1,0,0]=3 21209 B13R1.656 [13CH3]SCCSc1cc(ccc1Cl)Cl 62a_100000180180_200025704644 [0,2,0,0,0,0|1,0,0]=3 21210 B13R1.656 [13CH3]SCCSc1cc(ccc1Cl)Cl 62a_200025704644_100000180180 [0,2,0,0,0,0|1,0,0]=3 21211 B13R1.674 C#CCCC(=O)c1ccccc1Cl 1458a_100000185844_100000753159 [0,2,0,0,0,0|1,0,1]=4 21212 B13R1.674 C#CCCN(C)c1ccccc1Cl 2230a_100000219374_100000688953 [0,2,0,0,0,0|1,0,1]=4 21213 B13R1.674 C#CCCN(C)c1ccccc1Cl 269982a_100000219374_100000730999 [0,2,0,0,0,0|1,0,1]=4 21214 B13R1.674 C#CCCN(C)c1ccccc1Cl 34a_100000219374_100000688953 [0,2,0,0,0,0|1,0,1]=4 21215 B13R1.674 C#CCNC(C)c1ccccc1Cl 2230a_100000174978_100000038162 [0,2,0,0,0,0|1,0,1]=4 21216 B13R1.674 C#CCNC(C)c1ccccc1Cl 34a_100000174978_100000184674 [0,2,0,0,0,0|1,0,1]=4 21217 B13R1.674 C#CCOC(C)c1ccccc1Cl 34a_100000740796_100000184674 [0,2,0,0,0,0|1,0,1]=4 21218 B13R1.674 C#CCOC(C)c1ccccc1Cl 7a_100000740796_100000038162 [0,2,0,0,0,0|1,0,1]=4 21219 B13R1.674 C#CCSC(C)c1ccccc1Cl 62a_100000038162_100000181259 [0,2,0,0,0,0|1,0,1]=4 21220 B13R1.674 C/C=C/CC(=O)c1ccccc1Cl 1458a_100000185844_100102629194 [0,2,0,0,0,0|1,0,1]=4 21221 B13R1.674 C/C=C/CN(C)c1ccccc1Cl 269982a_100000219374_100102629194 [0,2,0,0,0,0|1,0,1]=4 21222 B13R1.674 C/C=C/CN(C)c1ccccc1Cl 34a_100000219374_100102629194 [0,2,0,0,0,0|1,0,1]=4 21223 B13R1.674 C=CCCC(=O)c1ccccc1Cl 1458a_100000185844_100000754431 [0,2,0,0,0,0|1,0,1]=4 21224 B13R1.674 C=CCCN(C)c1ccccc1Cl 2230a_100000219374_100000754431 [0,2,0,0,0,0|1,0,1]=4 21225 B13R1.674 C=CCCN(C)c1ccccc1Cl 269982a_100000219374_100000754431 [0,2,0,0,0,0|1,0,1]=4 21226 B13R1.674 C=CCCN(C)c1ccccc1Cl 34a_100000219374_100000754431 [0,2,0,0,0,0|1,0,1]=4 21227 B13R1.674 C=CCNC(C)c1ccccc1Cl 2230a_100000174978_100000210623 [0,2,0,0,0,0|1,0,1]=4 21228 B13R1.674 C=CCNC(C)c1ccccc1Cl 2230a_100020586998_100000181259 [0,2,0,0,0,0|1,0,1]=4 21229 B13R1.674 C=CCNC(C)c1ccccc1Cl 34a_100000174978_100015514636 [0,2,0,0,0,0|1,0,1]=4 21230 B13R1.674 C=CCOC(C)c1ccccc1Cl 34a_100000740796_100015514636 [0,2,0,0,0,0|1,0,1]=4 21231 B13R1.674 C=CCOC(C)c1ccccc1Cl 7a_100000740796_100015514636 [0,2,0,0,0,0|1,0,1]=4 21232 B13R1.674 C=CCSC(C)c1ccccc1Cl 62a_100000181259_100000210623 [0,2,0,0,0,0|1,0,1]=4 21233 B13R1.674 C=CCSC(C)c1ccccc1Cl 62a_100000210623_100000181259 [0,2,0,0,0,0|1,0,1]=4 21234 B13R1.674 CC#CCC(=O)c1ccccc1Cl 1458a_100000185844_100000748600 [0,2,0,0,0,0|1,0,1]=4 21235 B13R1.674 CC#CCN(C)c1ccccc1Cl 2230a_100000219374_100000748600 [0,2,0,0,0,0|1,0,1]=4 21236 B13R1.674 CC#CCN(C)c1ccccc1Cl 34a_100000219374_100000748600 [0,2,0,0,0,0|1,0,1]=4 21237 B13R1.674 CC(NCC#N)c1ccccc1Cl 2230a_100000174978_100011215382 [0,2,0,0,0,0|2,0,0]=4 21238 B13R1.674 CC(NCC=O)c1ccccc1Cl 2230a_100000174978_200015260668 [0,2,0,0,0,0|2,0,0]=4 21239 B13R1.674 CC(NCC=O)c1ccccc1Cl 34a_100000174978_200009817547 [0,2,0,0,0,0|2,0,0]=4 21240 B13R1.674 CC(NCCF)c1ccccc1Cl 2230a_100000174978_100011217306 [0,2,0,0,0,0|2,0,0]=4 21241 B13R1.674 CC(NCCF)c1ccccc1Cl 269862a_100000724931_100000210134 [0,2,0,0,0,0|2,0,0]=4 21242 B13R1.674 CC(NCCF)c1ccccc1Cl 34a_100000174978_100011217306 [0,2,0,0,0,0|2,0,0]=4 21243 B13R1.674 CC(NCCO)c1ccccc1Cl 2230a_100000174978_100000211926 [0,2,0,0,0,0|2,0,0]=4 21244 B13R1.674 CC(NCCO)c1ccccc1Cl 2230a_100016997473_100000181259 [0,2,0,0,0,0|2,0,0]=4 21245 B13R1.674 CC(NCCO)c1ccccc1Cl 269862a_100000210304_100000210134 [0,2,0,0,0,0|2,0,0]=4 21246 B13R1.674 CC(NCCO)c1ccccc1Cl 34a_100000174978_100000211926 [0,2,0,0,0,0|2,0,0]=4 21247 B13R1.674 CC(OCC#N)c1ccccc1Cl 7a_100000740796_100011215382 [0,2,0,0,0,0|2,0,0]=4 21248 B13R1.674 CC(OCC=O)c1ccccc1Cl 34a_100000740796_200009817547 [0,2,0,0,0,0|2,0,0]=4 21249 B13R1.674 CC(OCC=O)c1ccccc1Cl 7a_100000740796_200015260668 [0,2,0,0,0,0|2,0,0]=4 21250 B13R1.674 CC(OCCF)c1ccccc1Cl 34a_100000740796_100011217306 [0,2,0,0,0,0|2,0,0]=4 21251 B13R1.674 CC(OCCF)c1ccccc1Cl 7a_100000740796_100011217306 [0,2,0,0,0,0|2,0,0]=4 21252 B13R1.674 CC(OCCO)c1ccccc1Cl 34a_100000740796_100000211926 [0,2,0,0,0,0|2,0,0]=4 21253 B13R1.674 CC(OCCO)c1ccccc1Cl 7a_100000740796_100000211926 [0,2,0,0,0,0|2,0,0]=4 21254 B13R1.674 CC(SCC#N)c1ccccc1Cl 62a_100000181259_100011215382 [0,2,0,0,0,0|2,0,0]=4 21255 B13R1.674 CC(SCC#N)c1ccccc1Cl 62a_100011215382_100000181259 [0,2,0,0,0,0|2,0,0]=4 21256 B13R1.674 CC(SCC=O)c1ccccc1Cl 62a_100000181259_200015260668 [0,2,0,0,0,0|2,0,0]=4 21257 B13R1.674 CC(SCC=O)c1ccccc1Cl 62a_200015260668_100000181259 [0,2,0,0,0,0|2,0,0]=4 21258 B13R1.674 CC(SCCF)c1ccccc1Cl 62a_100000181259_100011217306 [0,2,0,0,0,0|2,0,0]=4 21259 B13R1.674 CC(SCCF)c1ccccc1Cl 62a_100011217306_100000181259 [0,2,0,0,0,0|2,0,0]=4 21260 B13R1.674 CC(SCCO)c1ccccc1Cl 62a_100000181259_100000211926 [0,2,0,0,0,0|2,0,0]=4 21261 B13R1.674 CC(SCCO)c1ccccc1Cl 62a_100000211926_100000181259 [0,2,0,0,0,0|2,0,0]=4 21262 B13R1.674 CC=CCC(=O)c1ccccc1Cl 1458a_100000185844_100000070051 [0,2,0,0,0,0|1,0,1]=4 21263 B13R1.674 CC=CCN(C)c1ccccc1Cl 2230a_100000219374_100000070051 [0,2,0,0,0,0|1,0,1]=4 21264 B13R1.674 CC=CCN(C)c1ccccc1Cl 34a_100000219374_100000070051 [0,2,0,0,0,0|1,0,1]=4 21265 B13R1.674 CCCCC(=O)c1ccccc1Br 1458a_100000188424_100000210211 [0,2,0,0,0,0|1,1,0]=4 21266 B13R1.674 CCCCC(=O)c1ccccc1C 1458a_100000212026_100000210211 [0,2,0,0,0,0|2,0,0]=4 21267 B13R1.674 CCCCC(=O)c1ccccc1Cl 1458a_100000185844_100000210211 [0,2,0,0,0,0|1,0,0]=3 21268 B13R1.674 CCCCC(=O)c1ccccc1F 1458a_100000188656_100000210211 [0,2,0,0,0,0|1,1,0]=4 21269 B13R1.674 CCCCC(=O)c1ccccc1I 1458a_100000187884_100000210211 [0,2,0,0,0,0|1,1,0]=4 21270 B13R1.674 CCCCC(=O)c1ccccc1O 1458a_100015234032_100000210211 [0,2,0,0,0,0|2,0,0]=4 21271 B13R1.674 CCCCC(=O)c1ccccc1[O-] 1458a_100009911694_100000210211 [0,2,0,0,0,0|2,0,0]=4 21272 B13R1.674 CCCCN(C)c1ccccc1Br 2230a_100020606079_100000210211 [0,2,0,0,0,0|1,1,0]=4 21273 B13R1.674 CCCCN(C)c1ccccc1Br 269982a_100020606079_100000210211 [0,2,0,0,0,0|1,1,0]=4 21274 B13R1.674 CCCCN(C)c1ccccc1Br 34a_100020606079_100000210210 [0,2,0,0,0,0|1,1,0]=4 21275 B13R1.674 CCCCN(C)c1ccccc1C 2230a_100000219699_100000210211 [0,2,0,0,0,0|2,0,0]=4 21276 B13R1.674 CCCCN(C)c1ccccc1C 269982a_100000219699_100000210211 [0,2,0,0,0,0|2,0,0]=4 21277 B13R1.674 CCCCN(C)c1ccccc1C 34a_100000219699_100000210210 [0,2,0,0,0,0|2,0,0]=4 21278 B13R1.674 CCCCN(C)c1ccccc1Cl 2230a_100000219374_100000210211 [0,2,0,0,0,0|1,0,0]=3 21279 B13R1.674 CCCCN(C)c1ccccc1Cl 269982a_100000219374_100000210211 [0,2,0,0,0,0|1,0,0]=3 21280 B13R1.674 CCCCN(C)c1ccccc1Cl 34a_100000219374_100000210210 [0,2,0,0,0,0|1,0,0]=3 21281 B13R1.674 CCCCN(C)c1ccccc1F 2230a_100000220357_100000210211 [0,2,0,0,0,0|1,1,0]=4 21282 B13R1.674 CCCCN(C)c1ccccc1F 269982a_100000220357_100000210211 [0,2,0,0,0,0|1,1,0]=4 21283 B13R1.674 CCCCN(C)c1ccccc1F 34a_100000220357_100000210210 [0,2,0,0,0,0|1,1,0]=4 21284 B13R1.674 CCCCN(C)c1ccccc1F 38a_100000220357_100000210211 [0,2,0,0,0,0|1,1,0]=4 21285 B13R1.674 CCCCN(C)c1ccccc1O 269982a_100000033821_100000210211 [0,2,0,0,0,0|2,0,0]=4 21286 B13R1.674 CCCNC(=O)c1ccccc1Cl 11a_100020643023_100000185844 [0,2,0,0,0,0|1,0,1]=4 21287 B13R1.674 CCCNC(=O)c1ccccc1Cl 1626a_100020643023_100000185844 [0,2,0,0,0,0|1,0,1]=4 21288 B13R1.674 CCCNC(=O)c1ccccc1Cl 240690a_100020643023_100000185844 [0,2,0,0,0,0|1,0,1]=4 21289 B13R1.674 CCCNC(=O)c1ccccc1Cl 527a_100020643023_100000185844 [0,2,0,0,0,0|1,0,1]=4 21290 B13R1.674 CCCNC(C)c1ccccc1Br 2230a_100000181357_100000210303 [0,2,0,0,0,0|1,1,0]=4 21291 B13R1.674 CCCNC(C)c1ccccc1Br 269862a_100020643023_100000187085 [0,2,0,0,0,0|1,1,0]=4 21292 B13R1.674 CCCNC(C)c1ccccc1C 2230a_100000181355_100000210303 [0,2,0,0,0,0|2,0,0]=4 21293 B13R1.674 CCCNC(C)c1ccccc1C 269862a_100020643023_100000211656 [0,2,0,0,0,0|2,0,0]=4 21294 B13R1.674 CCCNC(C)c1ccccc1C 34a_100000181355_100000210303 [0,2,0,0,0,0|2,0,0]=4 21295 B13R1.674 CCCNC(C)c1ccccc1Cl 2230a_100000174978_100000210303 [0,2,0,0,0,0|1,0,0]=3 21296 B13R1.674 CCCNC(C)c1ccccc1Cl 269862a_100020643023_100000210134 [0,2,0,0,0,0|1,0,0]=3 21297 B13R1.674 CCCNC(C)c1ccccc1Cl 34a_100000174978_100000210303 [0,2,0,0,0,0|1,0,0]=3 21298 B13R1.674 CCCNC(C)c1ccccc1F 2230a_100000181408_100000210303 [0,2,0,0,0,0|1,1,0]=4 21299 B13R1.674 CCCNC(C)c1ccccc1F 269862a_100020643023_100000210632 [0,2,0,0,0,0|1,1,0]=4 21300 B13R1.674 CCCNC(C)c1ccccc1F 34a_100000181408_100000210303 [0,2,0,0,0,0|1,1,0]=4 21301 B13R1.674 CCCNC(C)c1ccccc1I 269862a_100020643023_100000751169 [0,2,0,0,0,0|1,1,0]=4 21302 B13R1.674 CCCNC(C)c1ccccc1O 271570a_203496583355_100000741022 [0,2,0,0,0,0|2,0,0]=4 21303 B13R1.674 CCCNC(C)c1ccncc1Cl 269862a_100020643023_100012001414 [0,2,0,0,0,0|2,0,0]=4 21304 B13R1.674 CCCNC(C)c1cnccc1Cl 269862a_100020643023_100160469449 [0,2,0,0,0,0|2,0,0]=4 21305 B13R1.674 CCCNC(C)c1ncccc1Cl 269862a_100020643023_100015267551 [0,2,0,0,0,0|2,0,0]=4 21306 B13R1.674 CCCN[C@H](C)c1ccccc1O 2230a_100025703389_100000210303 [0,2,0,0,0,0|2,0,0]=4 21307 B13R1.674 CCCOC(C)c1ccccc1Br 34a_100000702211_100000210303 [0,2,0,0,0,0|1,1,0]=4 21308 B13R1.674 CCCOC(C)c1ccccc1Br 7a_100000702211_100000210303 [0,2,0,0,0,0|1,1,0]=4 21309 B13R1.674 CCCOC(C)c1ccccc1C 34a_100000742021_100000210303 [0,2,0,0,0,0|2,0,0]=4 21310 B13R1.674 CCCOC(C)c1ccccc1C 7a_100000742021_100000210303 [0,2,0,0,0,0|2,0,0]=4 21311 B13R1.674 CCCOC(C)c1ccccc1Cl 34a_100000740796_100000210303 [0,2,0,0,0,0|1,0,0]=3 21312 B13R1.674 CCCOC(C)c1ccccc1Cl 7a_100000740796_100000210303 [0,2,0,0,0,0|1,0,0]=3 21313 B13R1.674 CCCOC(C)c1ccccc1F 34a_100000210258_200000741388 [0,2,0,0,0,0|1,1,0]=4 21314 B13R1.674 CCCOC(C)c1ccccc1F 34a_100000697922_100000210303 [0,2,0,0,0,0|1,1,0]=4 21315 B13R1.674 CCCOC(C)c1ccccc1F 7a_100000697922_100000210303 [0,2,0,0,0,0|1,1,0]=4 21316 B13R1.674 CCCOC(C)c1ccccc1N 7a_100011405641_100000210303 [0,2,0,0,0,0|2,0,0]=4 21317 B13R1.674 CCCOC(C)c1cccnc1Cl 34a_100009865335_100000210303 [0,2,0,0,0,0|2,0,0]=4 21318 B13R1.674 CCCOC(C)c1cccnc1Cl 7a_100009865335_100000210303 [0,2,0,0,0,0|2,0,0]=4 21319 B13R1.674 CCCSC(C)c1ccccc1Cl 62a_100000181259_100000210303 [0,2,0,0,0,0|1,0,0]=3 21320 B13R1.674 CCCSC(C)c1ccccc1Cl 62a_100000210303_100000181259 [0,2,0,0,0,0|1,0,0]=3 21321 B13R1.674 CCCSC(C)c1ccccc1F 62a_100000210303_200000741388 [0,2,0,0,0,0|1,1,0]=4 21322 B13R1.674 CCCSC(C)c1ccccc1F 62a_200000741388_100000210303 [0,2,0,0,0,0|1,1,0]=4 21323 B13R1.674 CCNCC(=O)c1ccccc1C 2230a_100015525214_100000741374 [0,2,0,0,0,0|1,0,1]=4 21324 B13R1.674 CCNCC(O)c1ccccc1Br 2230a_100011236429_100000210202 [0,2,0,0,0,0|0,1,0]=3 21325 B13R1.674 CCNCC(O)c1ccccc1Cl 2230a_200000759403_100000210202 [0,2,0,0,0,0|0,0,0]=2 21326 B13R1.674 CCNCC(O)c1ccccc1Cl 34a_200000759403_100000210202 [0,2,0,0,0,0|0,0,0]=2 21327 B13R1.674 CCNN=C(C)c1ccccc1Cl 4a_100000756455_100000210134 [0,2,0,0,0,0|1,0,1]=4 21328 B13R1.674 CCNNC(=O)c1ccccc1Cl 22a_100000756455_100000185844 [0,2,0,0,0,0|1,0,1]=4 21329 B13R1.674 CCOCC(=O)c1ccccc1Cl 34a_100121572206_100000211432 [0,2,0,0,0,0|1,0,1]=4 21330 B13R1.674 CCOCC(N)c1ccccc1Cl 34a_100138412506_100000210202 [0,2,0,0,0,0|1,0,0]=3 21331 B13R1.674 CCOCC(N)c1ccncc1Cl 34a_200020642286_100000210202 [0,2,0,0,0,0|2,0,0]=4 21332 B13R1.674 CCOCN(C)c1ccccc1Cl 269982a_100000219374_100000739092 [0,2,0,0,0,0|2,0,0]=4 21333 B13R1.674 CCOC[C@@H](N)c1ccccc1Br 34a_100161155918_100000210202 [0,2,0,0,0,0|1,1,0]=4 21334 B13R1.674 CCOC[C@H](N)c1ccccc1F 34a_100009818778_100000210202 [0,2,0,0,0,0|1,1,0]=4 21335 B13R1.674 CCSCC(=O)c1ccccc1Cl 62a_100000210202_100000211432 [0,2,0,0,0,0|1,0,1]=4 21336 B13R1.674 CCSCC(=O)c1ccccc1Cl 62a_100000211432_100000210202 [0,2,0,0,0,0|1,0,1]=4 21337 B13R1.674 CN(CCC#N)c1ccccc1Cl 2230a_100000219374_100011215226 [0,2,0,0,0,0|2,0,0]=4 21338 B13R1.674 CN(CCC#N)c1ccccc1Cl 269982a_100000219374_100011215226 [0,2,0,0,0,0|2,0,0]=4 21339 B13R1.674 CN(CCC#N)c1ccccc1Cl 34a_200000219389_200000210301 [0,2,0,0,0,0|2,0,0]=4 21340 B13R1.674 CN(CCCF)c1ccccc1Cl 2230a_100000219374_100011934791 [0,2,0,0,0,0|2,0,0]=4 21341 B13R1.674 CN(CCCF)c1ccccc1Cl 269982a_100000219374_100011934791 [0,2,0,0,0,0|2,0,0]=4 21342 B13R1.674 CN(CCCF)c1ccccc1Cl 34a_100000219374_100011934791 [0,2,0,0,0,0|2,0,0]=4 21343 B13R1.674 CN(CCCO)c1ccccc1Cl 2230a_100000219374_100000230001 [0,2,0,0,0,0|2,0,0]=4 21344 B13R1.674 CN(CCCO)c1ccccc1Cl 269982a_100000219374_100011215043 [0,2,0,0,0,0|2,0,0]=4 21345 B13R1.674 CN(CCCO)c1ccccc1Cl 34a_100000219374_100000230001 [0,2,0,0,0,0|2,0,0]=4 21346 B13R1.674 CNCCC(=O)c1ccccc1F 2230a_106832991635_100000086012 [0,2,0,0,0,0|0,1,0]=3 21347 B13R1.674 CNCCC(=O)c1ccccc1F 7a_106832991635_100000086012 [0,2,0,0,0,0|0,1,0]=3 21348 B13R1.674 CNCCC(=O)c1ccccc1O 7a_106832991635_100009873196 [0,2,0,0,0,0|1,0,0]=3 21349 B13R1.674 COCCC(=O)c1ccccc1Br 1458a_100000188424_100000233755 [0,2,0,0,0,0|1,1,0]=4 21350 B13R1.674 COCCC(=O)c1ccccc1C 1458a_100000212026_100000233755 [0,2,0,0,0,0|2,0,0]=4 21351 B13R1.674 COCCC(=O)c1ccccc1Cl 1458a_100000185844_100000233755 [0,2,0,0,0,0|1,0,0]=3 21352 B13R1.674 COCCC(=O)c1ccccc1F 1458a_100000188656_100000233755 [0,2,0,0,0,0|1,1,0]=4 21353 B13R1.674 COCCC(=O)c1ccccc1I 1458a_100000187884_100000233755 [0,2,0,0,0,0|1,1,0]=4 21354 B13R1.674 COCCC(=O)c1ccccc1O 1458a_100015234032_100000233755 [0,2,0,0,0,0|2,0,0]=4 21355 B13R1.674 COCCC(=O)c1ccccc1[O-] 1458a_100009911694_100000233755 [0,2,0,0,0,0|2,0,0]=4 21356 B13R1.674 COCCC(N)c1ccccc1Cl 34a_100011661560_200000210301 [0,2,0,0,0,0|1,0,0]=3 21357 B13R1.674 COCCC(N)c1ccccc1F 34a_100011661569_200000210301 [0,2,0,0,0,0|1,1,0]=4 21358 B13R1.674 COCCN(C)c1ccccc1Br 2230a_100020606079_100011201679 [0,2,0,0,0,0|1,1,0]=4 21359 B13R1.674 COCCN(C)c1ccccc1Br 269982a_100020606079_100000233755 [0,2,0,0,0,0|1,1,0]=4 21360 B13R1.674 COCCN(C)c1ccccc1Br 34a_100020606079_100011201679 [0,2,0,0,0,0|1,1,0]=4 21361 B13R1.674 COCCN(C)c1ccccc1C 2230a_100000219699_100011201679 [0,2,0,0,0,0|2,0,0]=4 21362 B13R1.674 COCCN(C)c1ccccc1C 269982a_100000219699_100000233755 [0,2,0,0,0,0|2,0,0]=4 21363 B13R1.674 COCCN(C)c1ccccc1C 34a_100000219699_100011201679 [0,2,0,0,0,0|2,0,0]=4 21364 B13R1.674 COCCN(C)c1ccccc1Cl 2230a_100000219374_100011201679 [0,2,0,0,0,0|1,0,0]=3 21365 B13R1.674 COCCN(C)c1ccccc1Cl 269982a_100000219374_100000233755 [0,2,0,0,0,0|1,0,0]=3 21366 B13R1.674 COCCN(C)c1ccccc1Cl 34a_100000219374_100011201679 [0,2,0,0,0,0|1,0,0]=3 21367 B13R1.674 COCCN(C)c1ccccc1F 2230a_100000220357_100011201679 [0,2,0,0,0,0|1,1,0]=4 21368 B13R1.674 COCCN(C)c1ccccc1F 269982a_100000220357_100000233755 [0,2,0,0,0,0|1,1,0]=4 21369 B13R1.674 COCCN(C)c1ccccc1F 34a_100000220357_100011201679 [0,2,0,0,0,0|1,1,0]=4 21370 B13R1.674 COCCN(C)c1ccccc1F 38a_100000220357_100011201679 [0,2,0,0,0,0|1,1,0]=4 21371 B13R1.674 COCCN(C)c1ccccc1O 269982a_100000033821_100000233755 [0,2,0,0,0,0|2,0,0]=4 21372 B13R1.674 COCNC(C)c1ccccc1Br 2230a_100000181357_100000766300 [0,2,0,0,0,0|1,1,0]=4 21373 B13R1.674 COCNC(C)c1ccccc1C 2230a_100000181355_100000766300 [0,2,0,0,0,0|2,0,0]=4 21374 B13R1.674 COCNC(C)c1ccccc1Cl 2230a_100000174978_100000766300 [0,2,0,0,0,0|1,0,0]=3 21375 B13R1.674 COCNC(C)c1ccccc1F 2230a_100000181408_100000766300 [0,2,0,0,0,0|1,1,0]=4 21376 B13R1.674 COCN[C@H](C)c1ccccc1O 2230a_100025703389_100000766300 [0,2,0,0,0,0|2,0,0]=4 21377 B13R1.674 COCSC(C)c1ccccc1Cl 62a_100000181259_100000766300 [0,2,0,0,0,0|1,0,0]=3 21378 B13R1.674 COCSC(C)c1ccccc1Cl 62a_100000766300_100000181259 [0,2,0,0,0,0|1,0,0]=3 21379 B13R1.674 COCSC(C)c1ccccc1F 62a_100000766300_200000741388 [0,2,0,0,0,0|1,1,0]=4 21380 B13R1.674 COCSC(C)c1ccccc1F 62a_200000741388_100000766300 [0,2,0,0,0,0|1,1,0]=4 21381 B13R1.674 CSCCC(=O)c1ccccc1Br 1458a_100000188424_100000751147 [0,2,0,0,0,0|1,1,0]=4 21382 B13R1.674 CSCCC(=O)c1ccccc1C 1458a_100000212026_100000751147 [0,2,0,0,0,0|2,0,0]=4 21383 B13R1.674 CSCCC(=O)c1ccccc1Cl 1458a_100000185844_100000751147 [0,2,0,0,0,0|1,0,0]=3 21384 B13R1.674 CSCCC(=O)c1ccccc1F 1458a_100000188656_100000751147 [0,2,0,0,0,0|1,1,0]=4 21385 B13R1.674 CSCCC(=O)c1ccccc1F 62a_100000086012_200000210301 [0,2,0,0,0,0|1,1,0]=4 21386 B13R1.674 CSCCC(=O)c1ccccc1F 62a_200000210301_100000086012 [0,2,0,0,0,0|1,1,0]=4 21387 B13R1.674 CSCCC(=O)c1ccccc1I 1458a_100000187884_100000751147 [0,2,0,0,0,0|1,1,0]=4 21388 B13R1.674 CSCCC(=O)c1ccccc1O 1458a_100015234032_100000751147 [0,2,0,0,0,0|2,0,0]=4 21389 B13R1.674 CSCCC(=O)c1ccccc1O 62a_200000210301_100009873196 [0,2,0,0,0,0|2,0,0]=4 21390 B13R1.674 CSCCC(=O)c1ccccc1[O-] 1458a_100009911694_100000751147 [0,2,0,0,0,0|2,0,0]=4 21391 B13R1.674 CSCCN(C)c1ccccc1Br 2230a_100020606079_100000751147 [0,2,0,0,0,0|1,1,0]=4 21392 B13R1.674 CSCCN(C)c1ccccc1Br 269982a_100020606079_100000212216 [0,2,0,0,0,0|1,1,0]=4 21393 B13R1.674 CSCCN(C)c1ccccc1Br 34a_100020606079_100000212216 [0,2,0,0,0,0|1,1,0]=4 21394 B13R1.674 CSCCN(C)c1ccccc1C 2230a_100000219699_100000751147 [0,2,0,0,0,0|2,0,0]=4 21395 B13R1.674 CSCCN(C)c1ccccc1C 269982a_100000219699_100000212216 [0,2,0,0,0,0|2,0,0]=4 21396 B13R1.674 CSCCN(C)c1ccccc1C 34a_100000219699_100000212216 [0,2,0,0,0,0|2,0,0]=4 21397 B13R1.674 CSCCN(C)c1ccccc1Cl 2230a_100000219374_100000751147 [0,2,0,0,0,0|1,0,0]=3 21398 B13R1.674 CSCCN(C)c1ccccc1Cl 269982a_100000219374_100000212216 [0,2,0,0,0,0|1,0,0]=3 21399 B13R1.674 CSCCN(C)c1ccccc1Cl 34a_100000219374_100000212216 [0,2,0,0,0,0|1,0,0]=3 21400 B13R1.674 CSCCN(C)c1ccccc1F 2230a_100000220357_100000751147 [0,2,0,0,0,0|1,1,0]=4 21401 B13R1.674 CSCCN(C)c1ccccc1F 269982a_100000220357_100000212216 [0,2,0,0,0,0|1,1,0]=4 21402 B13R1.674 CSCCN(C)c1ccccc1F 34a_100000220357_100000212216 [0,2,0,0,0,0|1,1,0]=4 21403 B13R1.674 CSCCN(C)c1ccccc1F 38a_100000220357_100000751147 [0,2,0,0,0,0|1,1,0]=4 21404 B13R1.674 CSCCN(C)c1ccccc1O 269982a_100000033821_100000212216 [0,2,0,0,0,0|2,0,0]=4 21405 B13R1.674 CSCNC(C)c1ccccc1Br 2230a_100000181357_100011218213 [0,2,0,0,0,0|1,1,0]=4 21406 B13R1.674 CSCNC(C)c1ccccc1C 2230a_100000181355_100011218213 [0,2,0,0,0,0|2,0,0]=4 21407 B13R1.674 CSCNC(C)c1ccccc1C 34a_100000181355_100011218213 [0,2,0,0,0,0|2,0,0]=4 21408 B13R1.674 CSCNC(C)c1ccccc1Cl 2230a_100000174978_100011218213 [0,2,0,0,0,0|1,0,0]=3 21409 B13R1.674 CSCNC(C)c1ccccc1Cl 34a_100000174978_100011218213 [0,2,0,0,0,0|1,0,0]=3 21410 B13R1.674 CSCNC(C)c1ccccc1F 2230a_100000181408_100011218213 [0,2,0,0,0,0|1,1,0]=4 21411 B13R1.674 CSCNC(C)c1ccccc1F 34a_100000181408_100011218213 [0,2,0,0,0,0|1,1,0]=4 21412 B13R1.674 CSCN[C@H](C)c1ccccc1O 2230a_100025703389_100011218213 [0,2,0,0,0,0|2,0,0]=4 21413 B13R1.674 CSCOC(C)c1ccccc1Br 34a_100000702211_100011218213 [0,2,0,0,0,0|1,1,0]=4 21414 B13R1.674 CSCOC(C)c1ccccc1C 34a_100000742021_100011218213 [0,2,0,0,0,0|2,0,0]=4 21415 B13R1.674 CSCOC(C)c1ccccc1Cl 34a_100000740796_100011218213 [0,2,0,0,0,0|1,0,0]=3 21416 B13R1.674 CSCOC(C)c1ccccc1F 34a_100000697922_100011218213 [0,2,0,0,0,0|1,1,0]=4 21417 B13R1.674 CSCOC(C)c1cccnc1Cl 34a_100009865335_100011218213 [0,2,0,0,0,0|2,0,0]=4 21418 B13R1.674 CSCSC(C)c1ccccc1Cl 62a_100000181259_100011218213 [0,2,0,0,0,0|1,0,0]=3 21419 B13R1.674 CSCSC(C)c1ccccc1Cl 62a_100011218213_100000181259 [0,2,0,0,0,0|1,0,0]=3 21420 B13R1.674 CSCSC(C)c1ccccc1F 62a_100011218213_200000741388 [0,2,0,0,0,0|1,1,0]=4 21421 B13R1.674 CSCSC(C)c1ccccc1F 62a_200000741388_100011218213 [0,2,0,0,0,0|1,1,0]=4 21422 B13R1.674 N#CCCC(=O)c1ccccc1Cl 1458a_100000185844_100011215226 [0,2,0,0,0,0|2,0,0]=4 21423 B13R1.674 NC(COCF)c1ccccc1Cl 34a_100138412506_100015361967 [0,2,0,0,0,0|1,0,0]=3 21424 B13R1.674 NC(COCF)c1ccncc1Cl 34a_200020642286_100015361967 [0,2,0,0,0,0|2,0,0]=4 21425 B13R1.674 N[C@@H](COCF)c1ccccc1F 34a_100009818778_100015361967 [0,2,0,0,0,0|1,1,0]=4 21426 B13R1.674 N[C@H](COCF)c1ccccc1Br 34a_100161155918_100015361967 [0,2,0,0,0,0|1,1,0]=4 21427 B13R1.674 O=C(CCCF)c1ccccc1Cl 1458a_100000185844_100011934791 [0,2,0,0,0,0|1,0,1]=4 21428 B13R1.674 O=C(CCCO)c1ccccc1Cl 1458a_100000185844_100011215043 [0,2,0,0,0,0|1,0,1]=4 21429 B13R1.674 O=C(CSCF)c1ccccc1Cl 62a_100000211432_100015361967 [0,2,0,0,0,0|1,0,1]=4 21430 B13R1.674 O=C(CSCF)c1ccccc1Cl 62a_100015361967_100000211432 [0,2,0,0,0,0|1,0,1]=4 21431 B13R1.674 OC(CNCF)c1ccccc1Cl 34a_200000759403_100015361967 [0,2,0,0,0,0|0,0,0]=2 21432 B13R1.674 [13CH3]N(CCC#N)c1ccccc1Cl 34a_200000219389_200025704644 [0,2,0,0,0,0|2,0,0]=4 21433 B13R1.674 [13CH3]OCCC(N)c1ccccc1Cl 34a_100011661560_200025704644 [0,2,0,0,0,0|1,0,0]=3 21434 B13R1.674 [13CH3]OCCC(N)c1ccccc1F 34a_100011661569_200025704644 [0,2,0,0,0,0|1,1,0]=4 21435 B13R1.674 [13CH3]SCCC(=O)c1ccccc1F 62a_100000086012_200025704644 [0,2,0,0,0,0|1,1,0]=4 21436 B13R1.674 [13CH3]SCCC(=O)c1ccccc1F 62a_200025704644_100000086012 [0,2,0,0,0,0|1,1,0]=4 21437 B13R1.674 [13CH3]SCCC(=O)c1ccccc1O 62a_200025704644_100009873196 [0,2,0,0,0,0|2,0,0]=4 21438 B13R1.8919 C#CCCNc1c(cccc1Br)Cl 34a_100102946385_100000688953 [0,2,0,0,0,0|1,0,1]=4 21439 B13R1.8919 C#CCCNc1c(cccc1Cl)C 34a_100000756524_100000688953 [0,2,0,0,0,0|1,0,1]=4 21440 B13R1.8919 C#CCCNc1c(cccc1Cl)Cl 34a_100000210028_100000688953 [0,2,0,0,0,0|1,0,1]=4 21441 B13R1.8919 C#CCCNc1c(cccc1Cl)F 34a_100000760031_100000688953 [0,2,0,0,0,0|1,0,1]=4 21442 B13R1.8919 C#CCCNc1c(cccc1Cl)O 34a_100012022510_100000688953 [0,2,0,0,0,0|1,0,1]=4 21443 B13R1.8919 C#CCCOc1c(cccc1Br)Cl 34a_100010214474_100000688953 [0,2,0,0,0,0|1,0,1]=4 21444 B13R1.8919 C#CCCOc1c(cccc1Br)Cl 7a_100010214474_100000688953 [0,2,0,0,0,0|1,0,1]=4 21445 B13R1.8919 C#CCCOc1c(cccc1Cl)C 34a_100000033731_100000688953 [0,2,0,0,0,0|1,0,1]=4 21446 B13R1.8919 C#CCCOc1c(cccc1Cl)C 7a_100000033731_100000688953 [0,2,0,0,0,0|1,0,1]=4 21447 B13R1.8919 C#CCCOc1c(cccc1Cl)Cl 34a_100000211709_100000688953 [0,2,0,0,0,0|1,0,1]=4 21448 B13R1.8919 C#CCCOc1c(cccc1Cl)Cl 7a_100000211709_100000688953 [0,2,0,0,0,0|1,0,1]=4 21449 B13R1.8919 C#CCCOc1c(cccc1Cl)F 34a_100000694953_100000688953 [0,2,0,0,0,0|1,0,1]=4 21450 B13R1.8919 C#CCCOc1c(cccc1Cl)F 7a_100000694953_100000688953 [0,2,0,0,0,0|1,0,1]=4 21451 B13R1.8919 C#CCCOc1c(cccc1Cl)N 34a_100000754742_100000688953 [0,2,0,0,0,0|1,0,1]=4 21452 B13R1.8919 C#CCCOc1c(cccc1I)Cl 34a_100010202889_100000688953 [0,2,0,0,0,0|1,0,1]=4 21453 B13R1.8919 C#CCCOc1c(cccc1I)Cl 7a_100010202889_100000688953 [0,2,0,0,0,0|1,0,1]=4 21454 B13R1.8919 C#CCCSc1c(cccc1Br)Cl 62a_100000688953_100010214488 [0,2,0,0,0,0|1,0,1]=4 21455 B13R1.8919 C#CCCSc1c(cccc1Br)Cl 62a_100010214488_100000688953 [0,2,0,0,0,0|1,0,1]=4 21456 B13R1.8919 C#CCCSc1c(cccc1Cl)C 62a_100000043165_100000688953 [0,2,0,0,0,0|1,0,1]=4 21457 B13R1.8919 C#CCCSc1c(cccc1Cl)C 62a_100000688953_100000043165 [0,2,0,0,0,0|1,0,1]=4 21458 B13R1.8919 C#CCCSc1c(cccc1Cl)Cl 62a_100000034237_100000688953 [0,2,0,0,0,0|1,0,1]=4 21459 B13R1.8919 C#CCCSc1c(cccc1Cl)Cl 62a_100000688953_100000034237 [0,2,0,0,0,0|1,0,1]=4 21460 B13R1.8919 C#CCCSc1c(cccc1Cl)F 62a_100000050007_100000688953 [0,2,0,0,0,0|1,0,1]=4 21461 B13R1.8919 C#CCCSc1c(cccc1Cl)F 62a_100000688953_100000050007 [0,2,0,0,0,0|1,0,1]=4 21462 B13R1.8919 C#CCCSc1c(cccc1Cl)N 62a_100000049713_100000688953 [0,2,0,0,0,0|1,0,1]=4 21463 B13R1.8919 C#CCCSc1c(cccc1Cl)N 62a_100000688953_100000049713 [0,2,0,0,0,0|1,0,1]=4 21464 B13R1.8919 C#CCCSc1c(cccc1Cl)O 62a_100000688953_100000050174 [0,2,0,0,0,0|1,0,1]=4 21465 B13R1.8919 C#CCNCc1c(cccc1Br)Cl 34a_100000212058_100010138402 [0,2,0,0,0,0|1,0,1]=4 21466 B13R1.8919 C#CCNCc1c(cccc1Cl)Cl 2230a_100000174884_100000038162 [0,2,0,0,0,0|1,0,1]=4 21467 B13R1.8919 C#CCNCc1c(cccc1Cl)Cl 34a_100000174884_100000184674 [0,2,0,0,0,0|1,0,1]=4 21468 B13R1.8919 C#CCNCc1c(cccc1Cl)Cl 34a_100000212058_100000187851 [0,2,0,0,0,0|1,0,1]=4 21469 B13R1.8919 C#CCNCc1c(cccc1Cl)F 34a_100000174883_100000184674 [0,2,0,0,0,0|1,0,1]=4 21470 B13R1.8919 C#CCNCc1c(cccc1Cl)F 34a_100000212058_100000187852 [0,2,0,0,0,0|1,0,1]=4 21471 B13R1.8919 C#CCOCc1c(cccc1Br)Cl 34a_100000210247_100010138402 [0,2,0,0,0,0|1,0,1]=4 21472 B13R1.8919 C#CCOCc1c(cccc1Cl)C 34a_100000082531_100000184674 [0,2,0,0,0,0|1,0,1]=4 21473 B13R1.8919 C#CCOCc1c(cccc1Cl)C 7a_100000082531_100000038162 [0,2,0,0,0,0|1,0,1]=4 21474 B13R1.8919 C#CCOCc1c(cccc1Cl)Cl 34a_100000210247_100000187851 [0,2,0,0,0,0|1,0,1]=4 21475 B13R1.8919 C#CCOCc1c(cccc1Cl)Cl 34a_100000215722_100000184674 [0,2,0,0,0,0|1,0,1]=4 21476 B13R1.8919 C#CCOCc1c(cccc1Cl)Cl 7a_100000215722_100000038162 [0,2,0,0,0,0|1,0,1]=4 21477 B13R1.8919 C#CCOCc1c(cccc1Cl)F 34a_100000210247_100000187852 [0,2,0,0,0,0|1,0,1]=4 21478 B13R1.8919 C#CCOCc1c(cccc1Cl)F 34a_100000215723_100000184674 [0,2,0,0,0,0|1,0,1]=4 21479 B13R1.8919 C#CCOCc1c(cccc1Cl)F 7a_100000215723_100000038162 [0,2,0,0,0,0|1,0,1]=4 21480 B13R1.8919 C#CCOCc1c(cccc1Cl)N 34a_100011916388_100000184674 [0,2,0,0,0,0|1,0,1]=4 21481 B13R1.8919 C#CCSCc1c(cccc1Br)Cl 62a_100000038162_100010138402 [0,2,0,0,0,0|1,0,1]=4 21482 B13R1.8919 C#CCSCc1c(cccc1Cl)Cl 62a_100000038162_100000187851 [0,2,0,0,0,0|1,0,1]=4 21483 B13R1.8919 C#CCSCc1c(cccc1Cl)F 62a_100000038162_100000187852 [0,2,0,0,0,0|1,0,1]=4 21484 B13R1.8919 C/C=C/CNc1c(cccc1Br)Cl 34a_100102946385_100102629194 [0,2,0,0,0,0|1,0,1]=4 21485 B13R1.8919 C/C=C/CNc1c(cccc1Cl)C 34a_100000756524_100102629194 [0,2,0,0,0,0|1,0,1]=4 21486 B13R1.8919 C/C=C/CNc1c(cccc1Cl)Cl 34a_100000210028_100102629194 [0,2,0,0,0,0|1,0,1]=4 21487 B13R1.8919 C/C=C/CNc1c(cccc1Cl)F 34a_100000760031_100102629194 [0,2,0,0,0,0|1,0,1]=4 21488 B13R1.8919 C/C=C/CNc1c(cccc1Cl)O 34a_100012022510_100102629194 [0,2,0,0,0,0|1,0,1]=4 21489 B13R1.8919 C/C=C/COc1c(cccc1Br)Cl 34a_100010214474_100102629194 [0,2,0,0,0,0|1,0,1]=4 21490 B13R1.8919 C/C=C/COc1c(cccc1Br)Cl 7a_100010214474_100102629194 [0,2,0,0,0,0|1,0,1]=4 21491 B13R1.8919 C/C=C/COc1c(cccc1Cl)C 34a_100000033731_100102629194 [0,2,0,0,0,0|1,0,1]=4 21492 B13R1.8919 C/C=C/COc1c(cccc1Cl)C 7a_100000033731_100102629194 [0,2,0,0,0,0|1,0,1]=4 21493 B13R1.8919 C/C=C/COc1c(cccc1Cl)Cl 34a_100000211709_100102629194 [0,2,0,0,0,0|1,0,1]=4 21494 B13R1.8919 C/C=C/COc1c(cccc1Cl)Cl 7a_100000211709_100102629194 [0,2,0,0,0,0|1,0,1]=4 21495 B13R1.8919 C/C=C/COc1c(cccc1Cl)F 34a_100000694953_100102629194 [0,2,0,0,0,0|1,0,1]=4 21496 B13R1.8919 C/C=C/COc1c(cccc1Cl)F 7a_100000694953_100102629194 [0,2,0,0,0,0|1,0,1]=4 21497 B13R1.8919 C/C=C/COc1c(cccc1Cl)N 34a_100000754742_100102629194 [0,2,0,0,0,0|1,0,1]=4 21498 B13R1.8919 C/C=C/COc1c(cccc1I)Cl 34a_100010202889_100102629194 [0,2,0,0,0,0|1,0,1]=4 21499 B13R1.8919 C/C=C/COc1c(cccc1I)Cl 7a_100010202889_100102629194 [0,2,0,0,0,0|1,0,1]=4 21500 B13R1.8919 C/C=C/CSc1c(cccc1Br)Cl 62a_100010214488_100102629194 [0,2,0,0,0,0|1,0,1]=4 21501 B13R1.8919 C/C=C/CSc1c(cccc1Br)Cl 62a_100102629194_100010214488 [0,2,0,0,0,0|1,0,1]=4 21502 B13R1.8919 C/C=C/CSc1c(cccc1Cl)C 62a_100000043165_100102629194 [0,2,0,0,0,0|1,0,1]=4 21503 B13R1.8919 C/C=C/CSc1c(cccc1Cl)C 62a_100102629194_100000043165 [0,2,0,0,0,0|1,0,1]=4 21504 B13R1.8919 C/C=C/CSc1c(cccc1Cl)Cl 62a_100000034237_100102629194 [0,2,0,0,0,0|1,0,1]=4 21505 B13R1.8919 C/C=C/CSc1c(cccc1Cl)Cl 62a_100102629194_100000034237 [0,2,0,0,0,0|1,0,1]=4 21506 B13R1.8919 C/C=C/CSc1c(cccc1Cl)F 62a_100000050007_100102629194 [0,2,0,0,0,0|1,0,1]=4 21507 B13R1.8919 C/C=C/CSc1c(cccc1Cl)F 62a_100102629194_100000050007 [0,2,0,0,0,0|1,0,1]=4 21508 B13R1.8919 C/C=C/CSc1c(cccc1Cl)N 62a_100000049713_100102629194 [0,2,0,0,0,0|1,0,1]=4 21509 B13R1.8919 C/C=C/CSc1c(cccc1Cl)N 62a_100102629194_100000049713 [0,2,0,0,0,0|1,0,1]=4 21510 B13R1.8919 C/C=C/CSc1c(cccc1Cl)O 62a_100102629194_100000050174 [0,2,0,0,0,0|1,0,1]=4 21511 B13R1.8919 C=CCCNc1c(cccc1Br)Cl 34a_100102946385_100000754431 [0,2,0,0,0,0|1,0,1]=4 21512 B13R1.8919 C=CCCNc1c(cccc1Cl)C 34a_100000756524_100000754431 [0,2,0,0,0,0|1,0,1]=4 21513 B13R1.8919 C=CCCNc1c(cccc1Cl)Cl 34a_100000210028_100000754431 [0,2,0,0,0,0|1,0,1]=4 21514 B13R1.8919 C=CCCNc1c(cccc1Cl)F 34a_100000760031_100000754431 [0,2,0,0,0,0|1,0,1]=4 21515 B13R1.8919 C=CCCNc1c(cccc1Cl)O 34a_100012022510_100000754431 [0,2,0,0,0,0|1,0,1]=4 21516 B13R1.8919 C=CCCOc1c(cccc1Br)Cl 34a_100010214474_100000754431 [0,2,0,0,0,0|1,0,1]=4 21517 B13R1.8919 C=CCCOc1c(cccc1Br)Cl 7a_100010214474_100000754431 [0,2,0,0,0,0|1,0,1]=4 21518 B13R1.8919 C=CCCOc1c(cccc1Cl)C 34a_100000033731_100000754431 [0,2,0,0,0,0|1,0,1]=4 21519 B13R1.8919 C=CCCOc1c(cccc1Cl)C 7a_100000033731_100000754431 [0,2,0,0,0,0|1,0,1]=4 21520 B13R1.8919 C=CCCOc1c(cccc1Cl)Cl 34a_100000211709_100000754431 [0,2,0,0,0,0|1,0,1]=4 21521 B13R1.8919 C=CCCOc1c(cccc1Cl)Cl 7a_100000211709_100000754431 [0,2,0,0,0,0|1,0,1]=4 21522 B13R1.8919 C=CCCOc1c(cccc1Cl)F 34a_100000694953_100000754431 [0,2,0,0,0,0|1,0,1]=4 21523 B13R1.8919 C=CCCOc1c(cccc1Cl)F 7a_100000694953_100000754431 [0,2,0,0,0,0|1,0,1]=4 21524 B13R1.8919 C=CCCOc1c(cccc1Cl)N 34a_100000754742_100000754431 [0,2,0,0,0,0|1,0,1]=4 21525 B13R1.8919 C=CCCOc1c(cccc1I)Cl 34a_100010202889_100000754431 [0,2,0,0,0,0|1,0,1]=4 21526 B13R1.8919 C=CCCOc1c(cccc1I)Cl 7a_100010202889_100000754431 [0,2,0,0,0,0|1,0,1]=4 21527 B13R1.8919 C=CCCSc1c(cccc1Br)Cl 62a_100000754431_100010214488 [0,2,0,0,0,0|1,0,1]=4 21528 B13R1.8919 C=CCCSc1c(cccc1Br)Cl 62a_100010214488_100000754431 [0,2,0,0,0,0|1,0,1]=4 21529 B13R1.8919 C=CCCSc1c(cccc1Cl)C 62a_100000043165_100000754431 [0,2,0,0,0,0|1,0,1]=4 21530 B13R1.8919 C=CCCSc1c(cccc1Cl)C 62a_100000754431_100000043165 [0,2,0,0,0,0|1,0,1]=4 21531 B13R1.8919 C=CCCSc1c(cccc1Cl)Cl 62a_100000034237_100000754431 [0,2,0,0,0,0|1,0,1]=4 21532 B13R1.8919 C=CCCSc1c(cccc1Cl)Cl 62a_100000754431_100000034237 [0,2,0,0,0,0|1,0,1]=4 21533 B13R1.8919 C=CCCSc1c(cccc1Cl)F 62a_100000050007_100000754431 [0,2,0,0,0,0|1,0,1]=4 21534 B13R1.8919 C=CCCSc1c(cccc1Cl)F 62a_100000754431_100000050007 [0,2,0,0,0,0|1,0,1]=4 21535 B13R1.8919 C=CCCSc1c(cccc1Cl)N 62a_100000049713_100000754431 [0,2,0,0,0,0|1,0,1]=4 21536 B13R1.8919 C=CCCSc1c(cccc1Cl)N 62a_100000754431_100000049713 [0,2,0,0,0,0|1,0,1]=4 21537 B13R1.8919 C=CCCSc1c(cccc1Cl)O 62a_100000754431_100000050174 [0,2,0,0,0,0|1,0,1]=4 21538 B13R1.8919 C=CCNCc1c(cccc1Br)Cl 2230a_100020586998_100010138402 [0,2,0,0,0,0|1,0,1]=4 21539 B13R1.8919 C=CCNCc1c(cccc1Br)Cl 270004a_100020586998_100011249081 [0,2,0,0,0,0|1,0,1]=4 21540 B13R1.8919 C=CCNCc1c(cccc1Cl)C 270004a_100020586998_100000041122 [0,2,0,0,0,0|1,0,1]=4 21541 B13R1.8919 C=CCNCc1c(cccc1Cl)Cl 2230a_100000174884_100000210623 [0,2,0,0,0,0|1,0,1]=4 21542 B13R1.8919 C=CCNCc1c(cccc1Cl)Cl 2230a_100020586998_100000187851 [0,2,0,0,0,0|1,0,1]=4 21543 B13R1.8919 C=CCNCc1c(cccc1Cl)Cl 270004a_100020586998_100000189306 [0,2,0,0,0,0|1,0,1]=4 21544 B13R1.8919 C=CCNCc1c(cccc1Cl)Cl 34a_100000174884_100015514636 [0,2,0,0,0,0|1,0,1]=4 21545 B13R1.8919 C=CCNCc1c(cccc1Cl)F 2230a_100020586998_100000187852 [0,2,0,0,0,0|1,0,1]=4 21546 B13R1.8919 C=CCNCc1c(cccc1Cl)F 270004a_100020586998_100000210083 [0,2,0,0,0,0|1,0,1]=4 21547 B13R1.8919 C=CCNCc1c(cccc1Cl)F 34a_100000174883_100015514636 [0,2,0,0,0,0|1,0,1]=4 21548 B13R1.8919 C=CCNCc1c(cccc1I)Cl 270004a_100020586998_100010147682 [0,2,0,0,0,0|1,0,1]=4 21549 B13R1.8919 C=CCOCc1c(cccc1Br)Cl 34a_200000210373_100010138402 [0,2,0,0,0,0|1,0,1]=4 21550 B13R1.8919 C=CCOCc1c(cccc1Cl)C 34a_100000082531_100015514636 [0,2,0,0,0,0|1,0,1]=4 21551 B13R1.8919 C=CCOCc1c(cccc1Cl)C 7a_100000082531_100015514636 [0,2,0,0,0,0|1,0,1]=4 21552 B13R1.8919 C=CCOCc1c(cccc1Cl)Cl 34a_100000215722_100015514636 [0,2,0,0,0,0|1,0,1]=4 21553 B13R1.8919 C=CCOCc1c(cccc1Cl)Cl 34a_200000210373_100000187851 [0,2,0,0,0,0|1,0,1]=4 21554 B13R1.8919 C=CCOCc1c(cccc1Cl)Cl 7a_100000215722_100015514636 [0,2,0,0,0,0|1,0,1]=4 21555 B13R1.8919 C=CCOCc1c(cccc1Cl)F 34a_100000215723_100015514636 [0,2,0,0,0,0|1,0,1]=4 21556 B13R1.8919 C=CCOCc1c(cccc1Cl)F 34a_200000210373_100000187852 [0,2,0,0,0,0|1,0,1]=4 21557 B13R1.8919 C=CCOCc1c(cccc1Cl)F 7a_100000215723_100015514636 [0,2,0,0,0,0|1,0,1]=4 21558 B13R1.8919 C=CCOCc1c(cccc1Cl)N 34a_100011916388_100015514636 [0,2,0,0,0,0|1,0,1]=4 21559 B13R1.8919 C=CCSCc1c(cccc1Br)Cl 62a_100000210623_100010138402 [0,2,0,0,0,0|1,0,1]=4 21560 B13R1.8919 C=CCSCc1c(cccc1Br)Cl 62a_100010138402_100000210623 [0,2,0,0,0,0|1,0,1]=4 21561 B13R1.8919 C=CCSCc1c(cccc1Cl)Cl 62a_100000187851_100000210623 [0,2,0,0,0,0|1,0,1]=4 21562 B13R1.8919 C=CCSCc1c(cccc1Cl)Cl 62a_100000210623_100000187851 [0,2,0,0,0,0|1,0,1]=4 21563 B13R1.8919 C=CCSCc1c(cccc1Cl)F 62a_100000187852_100000210623 [0,2,0,0,0,0|1,0,1]=4 21564 B13R1.8919 C=CCSCc1c(cccc1Cl)F 62a_100000210623_100000187852 [0,2,0,0,0,0|1,0,1]=4 21565 B13R1.8919 CC#CCNc1c(cccc1Br)Cl 34a_100102946385_100000748600 [0,2,0,0,0,0|1,0,1]=4 21566 B13R1.8919 CC#CCNc1c(cccc1Cl)C 34a_100000756524_100000748600 [0,2,0,0,0,0|1,0,1]=4 21567 B13R1.8919 CC#CCNc1c(cccc1Cl)Cl 34a_100000210028_100000748600 [0,2,0,0,0,0|1,0,1]=4 21568 B13R1.8919 CC#CCNc1c(cccc1Cl)F 34a_100000760031_100000748600 [0,2,0,0,0,0|1,0,1]=4 21569 B13R1.8919 CC#CCNc1c(cccc1Cl)O 34a_100012022510_100000748600 [0,2,0,0,0,0|1,0,1]=4 21570 B13R1.8919 CC#CCOc1c(cccc1Br)Cl 34a_100010214474_100000748600 [0,2,0,0,0,0|1,0,1]=4 21571 B13R1.8919 CC#CCOc1c(cccc1Br)Cl 7a_100010214474_100000748600 [0,2,0,0,0,0|1,0,1]=4 21572 B13R1.8919 CC#CCOc1c(cccc1Cl)C 34a_100000033731_100000748600 [0,2,0,0,0,0|1,0,1]=4 21573 B13R1.8919 CC#CCOc1c(cccc1Cl)C 7a_100000033731_100000748600 [0,2,0,0,0,0|1,0,1]=4 21574 B13R1.8919 CC#CCOc1c(cccc1Cl)Cl 34a_100000211709_100000748600 [0,2,0,0,0,0|1,0,1]=4 21575 B13R1.8919 CC#CCOc1c(cccc1Cl)Cl 7a_100000211709_100000748600 [0,2,0,0,0,0|1,0,1]=4 21576 B13R1.8919 CC#CCOc1c(cccc1Cl)F 34a_100000694953_100000748600 [0,2,0,0,0,0|1,0,1]=4 21577 B13R1.8919 CC#CCOc1c(cccc1Cl)F 7a_100000694953_100000748600 [0,2,0,0,0,0|1,0,1]=4 21578 B13R1.8919 CC#CCOc1c(cccc1Cl)N 34a_100000754742_100000748600 [0,2,0,0,0,0|1,0,1]=4 21579 B13R1.8919 CC#CCOc1c(cccc1I)Cl 34a_100010202889_100000748600 [0,2,0,0,0,0|1,0,1]=4 21580 B13R1.8919 CC#CCOc1c(cccc1I)Cl 7a_100010202889_100000748600 [0,2,0,0,0,0|1,0,1]=4 21581 B13R1.8919 CC#CCSc1c(cccc1Br)Cl 62a_100000748600_100010214488 [0,2,0,0,0,0|1,0,1]=4 21582 B13R1.8919 CC#CCSc1c(cccc1Br)Cl 62a_100010214488_100000748600 [0,2,0,0,0,0|1,0,1]=4 21583 B13R1.8919 CC#CCSc1c(cccc1Cl)C 62a_100000043165_100000748600 [0,2,0,0,0,0|1,0,1]=4 21584 B13R1.8919 CC#CCSc1c(cccc1Cl)C 62a_100000748600_100000043165 [0,2,0,0,0,0|1,0,1]=4 21585 B13R1.8919 CC#CCSc1c(cccc1Cl)Cl 62a_100000034237_100000748600 [0,2,0,0,0,0|1,0,1]=4 21586 B13R1.8919 CC#CCSc1c(cccc1Cl)Cl 62a_100000748600_100000034237 [0,2,0,0,0,0|1,0,1]=4 21587 B13R1.8919 CC#CCSc1c(cccc1Cl)F 62a_100000050007_100000748600 [0,2,0,0,0,0|1,0,1]=4 21588 B13R1.8919 CC#CCSc1c(cccc1Cl)F 62a_100000748600_100000050007 [0,2,0,0,0,0|1,0,1]=4 21589 B13R1.8919 CC#CCSc1c(cccc1Cl)N 62a_100000049713_100000748600 [0,2,0,0,0,0|1,0,1]=4 21590 B13R1.8919 CC#CCSc1c(cccc1Cl)N 62a_100000748600_100000049713 [0,2,0,0,0,0|1,0,1]=4 21591 B13R1.8919 CC#CCSc1c(cccc1Cl)O 62a_100000748600_100000050174 [0,2,0,0,0,0|1,0,1]=4 21592 B13R1.8919 CC=CCNc1c(cccc1Br)Cl 34a_100102946385_100000070051 [0,2,0,0,0,0|1,0,1]=4 21593 B13R1.8919 CC=CCNc1c(cccc1Cl)C 34a_100000756524_100000070051 [0,2,0,0,0,0|1,0,1]=4 21594 B13R1.8919 CC=CCNc1c(cccc1Cl)Cl 34a_100000210028_100000070051 [0,2,0,0,0,0|1,0,1]=4 21595 B13R1.8919 CC=CCNc1c(cccc1Cl)F 34a_100000760031_100000070051 [0,2,0,0,0,0|1,0,1]=4 21596 B13R1.8919 CC=CCNc1c(cccc1Cl)O 34a_100012022510_100000070051 [0,2,0,0,0,0|1,0,1]=4 21597 B13R1.8919 CC=CCOc1c(cccc1Br)Cl 34a_100010214474_100000070051 [0,2,0,0,0,0|1,0,1]=4 21598 B13R1.8919 CC=CCOc1c(cccc1Br)Cl 7a_100010214474_100000070051 [0,2,0,0,0,0|1,0,1]=4 21599 B13R1.8919 CC=CCOc1c(cccc1Cl)C 34a_100000033731_100000070051 [0,2,0,0,0,0|1,0,1]=4 21600 B13R1.8919 CC=CCOc1c(cccc1Cl)C 7a_100000033731_100000070051 [0,2,0,0,0,0|1,0,1]=4 21601 B13R1.8919 CC=CCOc1c(cccc1Cl)Cl 34a_100000211709_100000070051 [0,2,0,0,0,0|1,0,1]=4 21602 B13R1.8919 CC=CCOc1c(cccc1Cl)Cl 7a_100000211709_100000070051 [0,2,0,0,0,0|1,0,1]=4 21603 B13R1.8919 CC=CCOc1c(cccc1Cl)F 34a_100000694953_100000070051 [0,2,0,0,0,0|1,0,1]=4 21604 B13R1.8919 CC=CCOc1c(cccc1Cl)F 7a_100000694953_100000070051 [0,2,0,0,0,0|1,0,1]=4 21605 B13R1.8919 CC=CCOc1c(cccc1Cl)N 34a_100000754742_100000070051 [0,2,0,0,0,0|1,0,1]=4 21606 B13R1.8919 CC=CCOc1c(cccc1I)Cl 34a_100010202889_100000070051 [0,2,0,0,0,0|1,0,1]=4 21607 B13R1.8919 CC=CCOc1c(cccc1I)Cl 7a_100010202889_100000070051 [0,2,0,0,0,0|1,0,1]=4 21608 B13R1.8919 CC=CCSc1c(cccc1Br)Cl 62a_100000070051_100010214488 [0,2,0,0,0,0|1,0,1]=4 21609 B13R1.8919 CC=CCSc1c(cccc1Br)Cl 62a_100010214488_100000070051 [0,2,0,0,0,0|1,0,1]=4 21610 B13R1.8919 CC=CCSc1c(cccc1Cl)C 62a_100000043165_100000070051 [0,2,0,0,0,0|1,0,1]=4 21611 B13R1.8919 CC=CCSc1c(cccc1Cl)C 62a_100000070051_100000043165 [0,2,0,0,0,0|1,0,1]=4 21612 B13R1.8919 CC=CCSc1c(cccc1Cl)Cl 62a_100000034237_100000070051 [0,2,0,0,0,0|1,0,1]=4 21613 B13R1.8919 CC=CCSc1c(cccc1Cl)Cl 62a_100000070051_100000034237 [0,2,0,0,0,0|1,0,1]=4 21614 B13R1.8919 CC=CCSc1c(cccc1Cl)F 62a_100000050007_100000070051 [0,2,0,0,0,0|1,0,1]=4 21615 B13R1.8919 CC=CCSc1c(cccc1Cl)F 62a_100000070051_100000050007 [0,2,0,0,0,0|1,0,1]=4 21616 B13R1.8919 CC=CCSc1c(cccc1Cl)N 62a_100000049713_100000070051 [0,2,0,0,0,0|1,0,1]=4 21617 B13R1.8919 CC=CCSc1c(cccc1Cl)N 62a_100000070051_100000049713 [0,2,0,0,0,0|1,0,1]=4 21618 B13R1.8919 CC=CCSc1c(cccc1Cl)O 62a_100000070051_100000050174 [0,2,0,0,0,0|1,0,1]=4 21619 B13R1.8919 CCCC=Cc1c(cccc1Br)Cl 271570a_100016258520_100010214488 [0,2,0,0,0,0|1,0,1]=4 21620 B13R1.8919 CCCC=Cc1c(cccc1Cl)C 271570a_100016258520_100000043165 [0,2,0,0,0,0|1,0,1]=4 21621 B13R1.8919 CCCC=Cc1c(cccc1Cl)Cl 271570a_100016258520_100000034237 [0,2,0,0,0,0|1,0,1]=4 21622 B13R1.8919 CCCC=Cc1c(cccc1Cl)F 271570a_100016258520_100000050007 [0,2,0,0,0,0|1,0,1]=4 21623 B13R1.8919 CCCC=Cc1c(cccc1Cl)N 271570a_100016258520_100000049713 [0,2,0,0,0,0|1,0,1]=4 21624 B13R1.8919 CCCC=Cc1c(cccc1Cl)O 271570a_100016258520_100000050174 [0,2,0,0,0,0|1,0,1]=4 21625 B13R1.8919 CCCCNc1c(cccc1Br)Br 34a_100000690995_100000210210 [0,2,0,0,0,0|1,1,0]=4 21626 B13R1.8919 CCCCNc1c(cccc1Br)C 34a_100011834072_100000210210 [0,2,0,0,0,0|1,1,0]=4 21627 B13R1.8919 CCCCNc1c(cccc1Br)Cl 34a_100102946385_100000210210 [0,2,0,0,0,0|1,0,0]=3 21628 B13R1.8919 CCCCNc1c(cccc1Br)F 34a_100000684712_100000210210 [0,2,0,0,0,0|1,1,0]=4 21629 B13R1.8919 CCCCNc1c(cccc1Br)O 34a_100011934926_100000210210 [0,2,0,0,0,0|1,1,0]=4 21630 B13R1.8919 CCCCNc1c(cccc1C)C 34a_100000185769_100000210210 [0,2,0,0,0,0|2,0,0]=4 21631 B13R1.8919 CCCCNc1c(cccc1Cl)C 34a_100000756524_100000210210 [0,2,0,0,0,0|1,0,0]=3 21632 B13R1.8919 CCCCNc1c(cccc1Cl)Cl 34a_100000210028_100000210210 [0,2,0,0,0,0|1,0,0]=3 21633 B13R1.8919 CCCCNc1c(cccc1Cl)F 34a_100000760031_100000210210 [0,2,0,0,0,0|1,0,0]=3 21634 B13R1.8919 CCCCNc1c(cccc1Cl)O 34a_100012022510_100000210210 [0,2,0,0,0,0|1,0,0]=3 21635 B13R1.8919 CCCCNc1c(cccc1F)C 34a_100000766463_100000210210 [0,2,0,0,0,0|1,1,0]=4 21636 B13R1.8919 CCCCNc1c(cccc1F)F 2230a_100000210704_100000210211 [0,2,0,0,0,0|1,1,0]=4 21637 B13R1.8919 CCCCNc1c(cccc1F)F 34a_100000210704_100000210210 [0,2,0,0,0,0|1,1,0]=4 21638 B13R1.8919 CCCCNc1c(cccc1F)O 34a_100020591140_100000210210 [0,2,0,0,0,0|1,1,0]=4 21639 B13R1.8919 CCCCNc1c(cccc1I)F 34a_100000042321_100000210210 [0,2,0,0,0,0|1,1,0]=4 21640 B13R1.8919 CCCCNc1c(cccc1O)C 34a_100000743429_100000210210 [0,2,0,0,0,0|2,0,0]=4 21641 B13R1.8919 CCCCOc1c(cccc1Br)Br 34a_100000736428_100000210210 [0,2,0,0,0,0|1,1,0]=4 21642 B13R1.8919 CCCCOc1c(cccc1Br)Br 7a_100000736428_100000210211 [0,2,0,0,0,0|1,1,0]=4 21643 B13R1.8919 CCCCOc1c(cccc1Br)C 34a_100009817157_100000210210 [0,2,0,0,0,0|1,1,0]=4 21644 B13R1.8919 CCCCOc1c(cccc1Br)C 7a_100009817157_100000210211 [0,2,0,0,0,0|1,1,0]=4 21645 B13R1.8919 CCCCOc1c(cccc1Br)Cl 34a_100010214474_100000210210 [0,2,0,0,0,0|1,0,0]=3 21646 B13R1.8919 CCCCOc1c(cccc1Br)Cl 7a_100010214474_100000210211 [0,2,0,0,0,0|1,0,0]=3 21647 B13R1.8919 CCCCOc1c(cccc1Br)F 34a_100009813666_100000210210 [0,2,0,0,0,0|1,1,0]=4 21648 B13R1.8919 CCCCOc1c(cccc1Br)F 7a_100009813666_100000210211 [0,2,0,0,0,0|1,1,0]=4 21649 B13R1.8919 CCCCOc1c(cccc1Br)N 34a_100011934915_100000210210 [0,2,0,0,0,0|1,1,0]=4 21650 B13R1.8919 CCCCOc1c(cccc1C)C 34a_100000210341_100000210210 [0,2,0,0,0,0|2,0,0]=4 21651 B13R1.8919 CCCCOc1c(cccc1C)C 7a_100000210341_100000210211 [0,2,0,0,0,0|2,0,0]=4 21652 B13R1.8919 CCCCOc1c(cccc1Cl)C 34a_100000033731_100000210210 [0,2,0,0,0,0|1,0,0]=3 21653 B13R1.8919 CCCCOc1c(cccc1Cl)C 7a_100000033731_100000210211 [0,2,0,0,0,0|1,0,0]=3 21654 B13R1.8919 CCCCOc1c(cccc1Cl)Cl 34a_100000211709_100000210210 [0,2,0,0,0,0|1,0,0]=3 21655 B13R1.8919 CCCCOc1c(cccc1Cl)Cl 7a_100000211709_100000210211 [0,2,0,0,0,0|1,0,0]=3 21656 B13R1.8919 CCCCOc1c(cccc1Cl)F 34a_100000694953_100000210210 [0,2,0,0,0,0|1,0,0]=3 21657 B13R1.8919 CCCCOc1c(cccc1Cl)F 7a_100000694953_100000210211 [0,2,0,0,0,0|1,0,0]=3 21658 B13R1.8919 CCCCOc1c(cccc1Cl)N 34a_100000754742_100000210210 [0,2,0,0,0,0|1,0,0]=3 21659 B13R1.8919 CCCCOc1c(cccc1F)C 34a_100011659162_100000210210 [0,2,0,0,0,0|1,1,0]=4 21660 B13R1.8919 CCCCOc1c(cccc1F)C 7a_100011659162_100000210211 [0,2,0,0,0,0|1,1,0]=4 21661 B13R1.8919 CCCCOc1c(cccc1F)F 34a_100000230165_100000210210 [0,2,0,0,0,0|1,1,0]=4 21662 B13R1.8919 CCCCOc1c(cccc1F)F 7a_100000230165_100000210211 [0,2,0,0,0,0|1,1,0]=4 21663 B13R1.8919 CCCCOc1c(cccc1F)N 34a_100011934987_100000210210 [0,2,0,0,0,0|1,1,0]=4 21664 B13R1.8919 CCCCOc1c(cccc1I)Br 34a_100010084509_100000210210 [0,2,0,0,0,0|1,1,0]=4 21665 B13R1.8919 CCCCOc1c(cccc1I)Br 7a_100010084509_100000210211 [0,2,0,0,0,0|1,1,0]=4 21666 B13R1.8919 CCCCOc1c(cccc1I)Cl 34a_100010202889_100000210210 [0,2,0,0,0,0|1,0,0]=3 21667 B13R1.8919 CCCCOc1c(cccc1I)Cl 7a_100010202889_100000210211 [0,2,0,0,0,0|1,0,0]=3 21668 B13R1.8919 CCCCOc1c(cccc1I)F 34a_100010186298_100000210210 [0,2,0,0,0,0|1,1,0]=4 21669 B13R1.8919 CCCCOc1c(cccc1I)F 7a_100010186298_100000210211 [0,2,0,0,0,0|1,1,0]=4 21670 B13R1.8919 CCCCOc1c(cccc1I)N 34a_100010084371_100000210210 [0,2,0,0,0,0|1,1,0]=4 21671 B13R1.8919 CCCCOc1c(cccc1N)C 34a_100000756359_100000210210 [0,2,0,0,0,0|2,0,0]=4 21672 B13R1.8919 CCCCOc1c(cccc1N)C 7a_100000756359_100000210211 [0,2,0,0,0,0|2,0,0]=4 21673 B13R1.8919 CCCCOc1c(cccc1N)N 34a_200016994477_100000210210 [0,2,0,0,0,0|2,0,0]=4 21674 B13R1.8919 CCCCOc1c(ccnc1Cl)C 34a_100000696282_100000210210 [0,2,0,0,0,0|2,0,0]=4 21675 B13R1.8919 CCCCOc1c(ccnc1Cl)C 7a_100000696282_100000210211 [0,2,0,0,0,0|2,0,0]=4 21676 B13R1.8919 CCCCOc1c(ccnc1Cl)Cl 34a_100000118450_100000210210 [0,2,0,0,0,0|2,0,0]=4 21677 B13R1.8919 CCCCOc1c(ccnc1Cl)Cl 7a_100000118450_100000210211 [0,2,0,0,0,0|2,0,0]=4 21678 B13R1.8919 CCCCOc1c(ccnc1Cl)F 34a_100009867227_100000210210 [0,2,0,0,0,0|2,0,0]=4 21679 B13R1.8919 CCCCOc1c(ccnc1Cl)F 7a_100009867227_100000210211 [0,2,0,0,0,0|2,0,0]=4 21680 B13R1.8919 CCCCOc1c(ccnc1Cl)I 34a_100010067911_100000210210 [0,2,0,0,0,0|2,0,0]=4 21681 B13R1.8919 CCCCOc1c(ccnc1Cl)I 7a_100010067911_100000210211 [0,2,0,0,0,0|2,0,0]=4 21682 B13R1.8919 CCCCOc1c(ccnc1Cl)N 34a_100009844647_100000210210 [0,2,0,0,0,0|2,0,0]=4 21683 B13R1.8919 CCCCOc1c(ccnc1Cl)N 7a_100009844647_100000210211 [0,2,0,0,0,0|2,0,0]=4 21684 B13R1.8919 CCCCSc1c(cccc1Br)Br 62a_100000210211_100009994525 [0,2,0,0,0,0|1,1,0]=4 21685 B13R1.8919 CCCCSc1c(cccc1Br)Br 62a_100009994525_100000210210 [0,2,0,0,0,0|1,1,0]=4 21686 B13R1.8919 CCCCSc1c(cccc1Br)C 62a_100000210211_100010141302 [0,2,0,0,0,0|1,1,0]=4 21687 B13R1.8919 CCCCSc1c(cccc1Br)C 62a_100010141302_100000210210 [0,2,0,0,0,0|1,1,0]=4 21688 B13R1.8919 CCCCSc1c(cccc1Br)Cl 62a_100000210211_100010214488 [0,2,0,0,0,0|1,0,0]=3 21689 B13R1.8919 CCCCSc1c(cccc1Br)Cl 62a_100010214488_100000210210 [0,2,0,0,0,0|1,0,0]=3 21690 B13R1.8919 CCCCSc1c(cccc1Br)F 62a_100000210211_100011219512 [0,2,0,0,0,0|1,1,0]=4 21691 B13R1.8919 CCCCSc1c(cccc1Br)F 62a_100011219512_100000210210 [0,2,0,0,0,0|1,1,0]=4 21692 B13R1.8919 CCCCSc1c(cccc1Br)N 62a_100000210211_100020590159 [0,2,0,0,0,0|1,1,0]=4 21693 B13R1.8919 CCCCSc1c(cccc1Br)N 62a_100020590159_100000210210 [0,2,0,0,0,0|1,1,0]=4 21694 B13R1.8919 CCCCSc1c(cccc1Br)O 62a_100000210211_100010187912 [0,2,0,0,0,0|1,1,0]=4 21695 B13R1.8919 CCCCSc1c(cccc1Br)O 62a_100010187912_100000210210 [0,2,0,0,0,0|1,1,0]=4 21696 B13R1.8919 CCCCSc1c(cccc1C)C 62a_100000033847_100000210210 [0,2,0,0,0,0|2,0,0]=4 21697 B13R1.8919 CCCCSc1c(cccc1C)C 62a_100000210211_100000033847 [0,2,0,0,0,0|2,0,0]=4 21698 B13R1.8919 CCCCSc1c(cccc1Cl)C 62a_100000043165_100000210210 [0,2,0,0,0,0|1,0,0]=3 21699 B13R1.8919 CCCCSc1c(cccc1Cl)C 62a_100000210211_100000043165 [0,2,0,0,0,0|1,0,0]=3 21700 B13R1.8919 CCCCSc1c(cccc1Cl)Cl 62a_100000034237_100000210210 [0,2,0,0,0,0|1,0,0]=3 21701 B13R1.8919 CCCCSc1c(cccc1Cl)Cl 62a_100000210211_100000034237 [0,2,0,0,0,0|1,0,0]=3 21702 B13R1.8919 CCCCSc1c(cccc1Cl)F 62a_100000050007_100000210210 [0,2,0,0,0,0|1,0,0]=3 21703 B13R1.8919 CCCCSc1c(cccc1Cl)F 62a_100000210211_100000050007 [0,2,0,0,0,0|1,0,0]=3 21704 B13R1.8919 CCCCSc1c(cccc1Cl)N 62a_100000049713_100000210210 [0,2,0,0,0,0|1,0,0]=3 21705 B13R1.8919 CCCCSc1c(cccc1Cl)N 62a_100000210211_100000049713 [0,2,0,0,0,0|1,0,0]=3 21706 B13R1.8919 CCCCSc1c(cccc1Cl)O 62a_100000210211_100000050174 [0,2,0,0,0,0|1,0,0]=3 21707 B13R1.8919 CCCCSc1c(cccc1F)C 62a_100000210211_100011218421 [0,2,0,0,0,0|1,1,0]=4 21708 B13R1.8919 CCCCSc1c(cccc1F)C 62a_100011218421_100000210210 [0,2,0,0,0,0|1,1,0]=4 21709 B13R1.8919 CCCCSc1c(cccc1F)F 62a_100000210211_100000693133 [0,2,0,0,0,0|1,1,0]=4 21710 B13R1.8919 CCCCSc1c(cccc1F)F 62a_100000693133_100000210210 [0,2,0,0,0,0|1,1,0]=4 21711 B13R1.8919 CCCCSc1c(cccc1F)N 62a_100000210211_100000690935 [0,2,0,0,0,0|1,1,0]=4 21712 B13R1.8919 CCCCSc1c(cccc1F)N 62a_100000690935_100000210210 [0,2,0,0,0,0|1,1,0]=4 21713 B13R1.8919 CCCCSc1c(cccc1F)O 62a_100000210211_100009820682 [0,2,0,0,0,0|1,1,0]=4 21714 B13R1.8919 CCCCSc1c(cccc1F)O 62a_100009820682_100000210210 [0,2,0,0,0,0|1,1,0]=4 21715 B13R1.8919 CCCCSc1c(cccc1N)C 62a_100000210211_100000684715 [0,2,0,0,0,0|2,0,0]=4 21716 B13R1.8919 CCCCSc1c(cccc1N)C 62a_100000684715_100000210210 [0,2,0,0,0,0|2,0,0]=4 21717 B13R1.8919 CCCCSc1c(cccc1O)C 62a_100000210211_100000686692 [0,2,0,0,0,0|2,0,0]=4 21718 B13R1.8919 CCCCSc1c(cccc1O)C 62a_100000686692_100000210210 [0,2,0,0,0,0|2,0,0]=4 21719 B13R1.8919 CCCCSc1c(cccc1O)N 62a_100000210211_100012183704 [0,2,0,0,0,0|2,0,0]=4 21720 B13R1.8919 CCCCSc1c(cccc1O)N 62a_100012183704_100000210210 [0,2,0,0,0,0|2,0,0]=4 21721 B13R1.8919 CCCCSc1c(cccc1O)O 62a_100000210211_100010205330 [0,2,0,0,0,0|2,0,0]=4 21722 B13R1.8919 CCCCSc1c(ccnc1Cl)Br 62a_100000210211_100009814607 [0,2,0,0,0,0|2,0,0]=4 21723 B13R1.8919 CCCCSc1c(ccnc1Cl)Br 62a_100009814607_100000210210 [0,2,0,0,0,0|2,0,0]=4 21724 B13R1.8919 CCCCSc1c(ccnc1Cl)C 62a_100000210211_100010248874 [0,2,0,0,0,0|2,0,0]=4 21725 B13R1.8919 CCCCSc1c(ccnc1Cl)C 62a_100010248874_100000210210 [0,2,0,0,0,0|2,0,0]=4 21726 B13R1.8919 CCCCSc1c(ccnc1Cl)Cl 62a_100000050019_100000210210 [0,2,0,0,0,0|2,0,0]=4 21727 B13R1.8919 CCCCSc1c(ccnc1Cl)Cl 62a_100000210211_100000050019 [0,2,0,0,0,0|2,0,0]=4 21728 B13R1.8919 CCCCSc1c(ccnc1Cl)F 62a_100000210211_100000716511 [0,2,0,0,0,0|2,0,0]=4 21729 B13R1.8919 CCCCSc1c(ccnc1Cl)F 62a_100000716511_100000210210 [0,2,0,0,0,0|2,0,0]=4 21730 B13R1.8919 CCCCSc1c(ccnc1Cl)N 62a_100000210211_100010208016 [0,2,0,0,0,0|2,0,0]=4 21731 B13R1.8919 CCCCSc1c(ccnc1Cl)N 62a_100010208016_100000210210 [0,2,0,0,0,0|2,0,0]=4 21732 B13R1.8919 CCCCSc1c(ccnc1N)Cl 62a_100000210211_100010199028 [0,2,0,0,0,0|2,0,0]=4 21733 B13R1.8919 CCCCSc1c(ccnc1N)Cl 62a_100010199028_100000210210 [0,2,0,0,0,0|2,0,0]=4 21734 B13R1.8919 CCCCSc1c(cncc1Cl)Cl 62a_100000036193_100000210210 [0,2,0,0,0,0|2,0,0]=4 21735 B13R1.8919 CCCCSc1c(cncc1Cl)Cl 62a_100000210211_100000036193 [0,2,0,0,0,0|2,0,0]=4 21736 B13R1.8919 CCCNCc1c(cccc1Br)Br 207a_100020643023_100010233043 [0,2,0,0,0,0|1,1,0]=4 21737 B13R1.8919 CCCNCc1c(cccc1Br)Br 270004a_100020643023_100010233043 [0,2,0,0,0,0|1,1,0]=4 21738 B13R1.8919 CCCNCc1c(cccc1Br)C 207a_100020643023_100009881667 [0,2,0,0,0,0|1,1,0]=4 21739 B13R1.8919 CCCNCc1c(cccc1Br)C 270004a_100020643023_100009881667 [0,2,0,0,0,0|1,1,0]=4 21740 B13R1.8919 CCCNCc1c(cccc1Br)Cl 207a_100020643023_100011249081 [0,2,0,0,0,0|1,0,0]=3 21741 B13R1.8919 CCCNCc1c(cccc1Br)Cl 270004a_100020643023_100011249081 [0,2,0,0,0,0|1,0,0]=3 21742 B13R1.8919 CCCNCc1c(cccc1Br)F 207a_100020643023_100000752695 [0,2,0,0,0,0|1,1,0]=4 21743 B13R1.8919 CCCNCc1c(cccc1Br)F 270004a_100020643023_100000752695 [0,2,0,0,0,0|1,1,0]=4 21744 B13R1.8919 CCCNCc1c(cccc1Br)F 34a_100012349121_100000210303 [0,2,0,0,0,0|1,1,0]=4 21745 B13R1.8919 CCCNCc1c(cccc1C)C 207a_100020643023_100000758299 [0,2,0,0,0,0|2,0,0]=4 21746 B13R1.8919 CCCNCc1c(cccc1C)C 270004a_100020643023_100000758299 [0,2,0,0,0,0|2,0,0]=4 21747 B13R1.8919 CCCNCc1c(cccc1C)C 34a_100000689800_100000210303 [0,2,0,0,0,0|2,0,0]=4 21748 B13R1.8919 CCCNCc1c(cccc1Cl)C 207a_100020643023_100000041122 [0,2,0,0,0,0|1,0,0]=3 21749 B13R1.8919 CCCNCc1c(cccc1Cl)C 270004a_100020643023_100000041122 [0,2,0,0,0,0|1,0,0]=3 21750 B13R1.8919 CCCNCc1c(cccc1Cl)Cl 207a_100020643023_100000189306 [0,2,0,0,0,0|1,0,0]=3 21751 B13R1.8919 CCCNCc1c(cccc1Cl)Cl 2230a_100000174884_100000210303 [0,2,0,0,0,0|1,0,0]=3 21752 B13R1.8919 CCCNCc1c(cccc1Cl)Cl 270004a_100020643023_100000189306 [0,2,0,0,0,0|1,0,0]=3 21753 B13R1.8919 CCCNCc1c(cccc1Cl)Cl 34a_100000174884_100000210303 [0,2,0,0,0,0|1,0,0]=3 21754 B13R1.8919 CCCNCc1c(cccc1Cl)F 207a_100020643023_100000210083 [0,2,0,0,0,0|1,0,0]=3 21755 B13R1.8919 CCCNCc1c(cccc1Cl)F 270004a_100020643023_100000210083 [0,2,0,0,0,0|1,0,0]=3 21756 B13R1.8919 CCCNCc1c(cccc1Cl)F 34a_100000174883_100000210303 [0,2,0,0,0,0|1,0,0]=3 21757 B13R1.8919 CCCNCc1c(cccc1F)C 207a_100020643023_100000069827 [0,2,0,0,0,0|1,1,0]=4 21758 B13R1.8919 CCCNCc1c(cccc1F)C 270004a_100020643023_100000069827 [0,2,0,0,0,0|1,1,0]=4 21759 B13R1.8919 CCCNCc1c(cccc1F)C 34a_100000762012_100000210303 [0,2,0,0,0,0|1,1,0]=4 21760 B13R1.8919 CCCNCc1c(cccc1F)F 207a_100020643023_100000211061 [0,2,0,0,0,0|1,1,0]=4 21761 B13R1.8919 CCCNCc1c(cccc1F)F 270004a_100020643023_100000211061 [0,2,0,0,0,0|1,1,0]=4 21762 B13R1.8919 CCCNCc1c(cccc1F)F 34a_100000688400_100000210303 [0,2,0,0,0,0|1,1,0]=4 21763 B13R1.8919 CCCNCc1c(cccc1I)Cl 207a_100020643023_100010147682 [0,2,0,0,0,0|1,0,0]=3 21764 B13R1.8919 CCCNCc1c(cccc1I)Cl 270004a_100020643023_100010147682 [0,2,0,0,0,0|1,0,0]=3 21765 B13R1.8919 CCCNCc1c(cccc1I)F 207a_100020643023_100010178011 [0,2,0,0,0,0|1,1,0]=4 21766 B13R1.8919 CCCNCc1c(cccc1I)F 270004a_100020643023_100010178011 [0,2,0,0,0,0|1,1,0]=4 21767 B13R1.8919 CCCNCc1c(cncc1Br)Cl 207a_100020643023_100010064873 [0,2,0,0,0,0|2,0,0]=4 21768 B13R1.8919 CCCNCc1c(cncc1Br)Cl 270004a_100020643023_100010064873 [0,2,0,0,0,0|2,0,0]=4 21769 B13R1.8919 CCCNCc1c(cncc1Cl)Cl 207a_100020643023_100000067493 [0,2,0,0,0,0|2,0,0]=4 21770 B13R1.8919 CCCNCc1c(cncc1Cl)Cl 270004a_100020643023_100000067493 [0,2,0,0,0,0|2,0,0]=4 21771 B13R1.8919 CCCOCc1c(cccc1Br)Br 34a_100010172814_100000210303 [0,2,0,0,0,0|1,1,0]=4 21772 B13R1.8919 CCCOCc1c(cccc1Br)Br 7a_100010172814_100000210303 [0,2,0,0,0,0|1,1,0]=4 21773 B13R1.8919 CCCOCc1c(cccc1Br)C 34a_100000210258_100010146847 [0,2,0,0,0,0|1,1,0]=4 21774 B13R1.8919 CCCOCc1c(cccc1Br)Cl 34a_100000210258_100010138402 [0,2,0,0,0,0|1,0,0]=3 21775 B13R1.8919 CCCOCc1c(cccc1Br)F 34a_100000210258_100012145669 [0,2,0,0,0,0|1,1,0]=4 21776 B13R1.8919 CCCOCc1c(cccc1Br)F 34a_100012355691_100000210303 [0,2,0,0,0,0|1,1,0]=4 21777 B13R1.8919 CCCOCc1c(cccc1Br)F 7a_100012355691_100000210303 [0,2,0,0,0,0|1,1,0]=4 21778 B13R1.8919 CCCOCc1c(cccc1Br)N 34a_100000747656_100000210303 [0,2,0,0,0,0|1,1,0]=4 21779 B13R1.8919 CCCOCc1c(cccc1C)C 34a_100000210258_100000758300 [0,2,0,0,0,0|2,0,0]=4 21780 B13R1.8919 CCCOCc1c(cccc1C)C 34a_100011933981_100000210303 [0,2,0,0,0,0|2,0,0]=4 21781 B13R1.8919 CCCOCc1c(cccc1C)C 7a_100011933981_100000210303 [0,2,0,0,0,0|2,0,0]=4 21782 B13R1.8919 CCCOCc1c(cccc1Cl)C 34a_100000082531_100000210303 [0,2,0,0,0,0|1,0,0]=3 21783 B13R1.8919 CCCOCc1c(cccc1Cl)C 7a_100000082531_100000210303 [0,2,0,0,0,0|1,0,0]=3 21784 B13R1.8919 CCCOCc1c(cccc1Cl)Cl 34a_100000210258_100000187851 [0,2,0,0,0,0|1,0,0]=3 21785 B13R1.8919 CCCOCc1c(cccc1Cl)Cl 34a_100000215722_100000210303 [0,2,0,0,0,0|1,0,0]=3 21786 B13R1.8919 CCCOCc1c(cccc1Cl)Cl 7a_100000215722_100000210303 [0,2,0,0,0,0|1,0,0]=3 21787 B13R1.8919 CCCOCc1c(cccc1Cl)F 34a_100000210258_100000187852 [0,2,0,0,0,0|1,0,0]=3 21788 B13R1.8919 CCCOCc1c(cccc1Cl)F 34a_100000215723_100000210303 [0,2,0,0,0,0|1,0,0]=3 21789 B13R1.8919 CCCOCc1c(cccc1Cl)F 7a_100000215723_100000210303 [0,2,0,0,0,0|1,0,0]=3 21790 B13R1.8919 CCCOCc1c(cccc1Cl)N 34a_100011916388_100000210303 [0,2,0,0,0,0|1,0,0]=3 21791 B13R1.8919 CCCOCc1c(cccc1F)C 34a_100000057874_100000210303 [0,2,0,0,0,0|1,1,0]=4 21792 B13R1.8919 CCCOCc1c(cccc1F)C 34a_100000210258_100009814554 [0,2,0,0,0,0|1,1,0]=4 21793 B13R1.8919 CCCOCc1c(cccc1F)C 7a_100000057874_100000210303 [0,2,0,0,0,0|1,1,0]=4 21794 B13R1.8919 CCCOCc1c(cccc1F)F 34a_100000210258_100000698325 [0,2,0,0,0,0|1,1,0]=4 21795 B13R1.8919 CCCOCc1c(cccc1F)F 34a_100000698215_100000210303 [0,2,0,0,0,0|1,1,0]=4 21796 B13R1.8919 CCCOCc1c(cccc1F)F 7a_100000698215_100000210303 [0,2,0,0,0,0|1,1,0]=4 21797 B13R1.8919 CCCOCc1c(cccc1F)N 34a_100011846719_100000210303 [0,2,0,0,0,0|1,1,0]=4 21798 B13R1.8919 CCCOCc1c(cccc1I)Br 34a_100000210258_100010146611 [0,2,0,0,0,0|1,1,0]=4 21799 B13R1.8919 CCCOCc1c(cccc1I)C 34a_100000210258_100010150146 [0,2,0,0,0,0|1,1,0]=4 21800 B13R1.8919 CCCOCc1c(cccc1I)F 34a_100000210258_100010149602 [0,2,0,0,0,0|1,1,0]=4 21801 B13R1.8919 CCCOCc1c(cccc1I)F 34a_100010214973_100000210303 [0,2,0,0,0,0|1,1,0]=4 21802 B13R1.8919 CCCOCc1c(cccc1I)F 7a_100010214973_100000210303 [0,2,0,0,0,0|1,1,0]=4 21803 B13R1.8919 CCCOCc1c(ccnc1Cl)Cl 34a_200009882739_100000210303 [0,2,0,0,0,0|2,0,0]=4 21804 B13R1.8919 CCCOCc1c(ccnc1Cl)Cl 7a_200009882739_100000210303 [0,2,0,0,0,0|2,0,0]=4 21805 B13R1.8919 CCCOCc1c(ccnc1Cl)I 7a_100000047008_100000210303 [0,2,0,0,0,0|2,0,0]=4 21806 B13R1.8919 CCCOCc1c(cncc1Cl)Cl 34a_100000210258_200009872113 [0,2,0,0,0,0|2,0,0]=4 21807 B13R1.8919 CCCSCc1c(cccc1Br)C 62a_100000210303_100010146847 [0,2,0,0,0,0|1,1,0]=4 21808 B13R1.8919 CCCSCc1c(cccc1Br)C 62a_100010146847_100000210303 [0,2,0,0,0,0|1,1,0]=4 21809 B13R1.8919 CCCSCc1c(cccc1Br)Cl 62a_100000210303_100010138402 [0,2,0,0,0,0|1,0,0]=3 21810 B13R1.8919 CCCSCc1c(cccc1Br)Cl 62a_100010138402_100000210303 [0,2,0,0,0,0|1,0,0]=3 21811 B13R1.8919 CCCSCc1c(cccc1Br)F 62a_100000210303_100012145669 [0,2,0,0,0,0|1,1,0]=4 21812 B13R1.8919 CCCSCc1c(cccc1Br)F 62a_100012145669_100000210303 [0,2,0,0,0,0|1,1,0]=4 21813 B13R1.8919 CCCSCc1c(cccc1C)C 62a_100000210303_100000758300 [0,2,0,0,0,0|2,0,0]=4 21814 B13R1.8919 CCCSCc1c(cccc1C)C 62a_100000758300_100000210303 [0,2,0,0,0,0|2,0,0]=4 21815 B13R1.8919 CCCSCc1c(cccc1Cl)Cl 62a_100000187851_100000210303 [0,2,0,0,0,0|1,0,0]=3 21816 B13R1.8919 CCCSCc1c(cccc1Cl)Cl 62a_100000210303_100000187851 [0,2,0,0,0,0|1,0,0]=3 21817 B13R1.8919 CCCSCc1c(cccc1Cl)F 62a_100000187852_100000210303 [0,2,0,0,0,0|1,0,0]=3 21818 B13R1.8919 CCCSCc1c(cccc1Cl)F 62a_100000210303_100000187852 [0,2,0,0,0,0|1,0,0]=3 21819 B13R1.8919 CCCSCc1c(cccc1F)C 62a_100000210303_100009814554 [0,2,0,0,0,0|1,1,0]=4 21820 B13R1.8919 CCCSCc1c(cccc1F)C 62a_100009814554_100000210303 [0,2,0,0,0,0|1,1,0]=4 21821 B13R1.8919 CCCSCc1c(cccc1F)F 62a_100000210303_100000698325 [0,2,0,0,0,0|1,1,0]=4 21822 B13R1.8919 CCCSCc1c(cccc1F)F 62a_100000709179_100000210303 [0,2,0,0,0,0|1,1,0]=4 21823 B13R1.8919 CCCSCc1c(cccc1I)Br 62a_100000210303_100010146611 [0,2,0,0,0,0|1,1,0]=4 21824 B13R1.8919 CCCSCc1c(cccc1I)Br 62a_100010146611_100000210303 [0,2,0,0,0,0|1,1,0]=4 21825 B13R1.8919 CCCSCc1c(cccc1I)C 62a_100000210303_100010150146 [0,2,0,0,0,0|1,1,0]=4 21826 B13R1.8919 CCCSCc1c(cccc1I)C 62a_100010150146_100000210303 [0,2,0,0,0,0|1,1,0]=4 21827 B13R1.8919 CCCSCc1c(cccc1I)F 62a_100000210303_100010149602 [0,2,0,0,0,0|1,1,0]=4 21828 B13R1.8919 CCCSCc1c(cccc1I)F 62a_100010149602_100000210303 [0,2,0,0,0,0|1,1,0]=4 21829 B13R1.8919 CCCSCc1c(cncc1Cl)Cl 62a_100000210303_200009872113 [0,2,0,0,0,0|2,0,0]=4 21830 B13R1.8919 CCCSCc1c(cncc1Cl)Cl 62a_200009872113_100000210303 [0,2,0,0,0,0|2,0,0]=4 21831 B13R1.8919 CCNCCc1c(cccc1Cl)Cl 2230a_100015525214_100012161200 [0,2,0,0,0,0|0,0,0]=2 21832 B13R1.8919 CCNCCc1c(cccc1Cl)Cl 2230a_100032004868_100000210202 [0,2,0,0,0,0|0,0,0]=2 21833 B13R1.8919 CCNCCc1c(cccc1Cl)Cl 34a_100032004868_100000210202 [0,2,0,0,0,0|0,0,0]=2 21834 B13R1.8919 CCNCCc1c(cccc1Cl)F 2230a_100000688150_100000210202 [0,2,0,0,0,0|0,0,0]=2 21835 B13R1.8919 CCNCCc1c(cccc1Cl)F 34a_100000688150_100000210202 [0,2,0,0,0,0|0,0,0]=2 21836 B13R1.8919 CCNN=Cc1c(cccc1Br)Cl 4a_100000756455_100011249081 [0,2,0,0,0,0|1,0,1]=4 21837 B13R1.8919 CCNN=Cc1c(cccc1Cl)C 4a_100000756455_100000041122 [0,2,0,0,0,0|1,0,1]=4 21838 B13R1.8919 CCNN=Cc1c(cccc1Cl)Cl 4a_100000756455_100000189306 [0,2,0,0,0,0|1,0,1]=4 21839 B13R1.8919 CCNN=Cc1c(cccc1Cl)F 4a_100000756455_100000210083 [0,2,0,0,0,0|1,0,1]=4 21840 B13R1.8919 CCNN=Cc1c(cccc1Cl)O 4a_100000756455_100000741911 [0,2,0,0,0,0|1,0,1]=4 21841 B13R1.8919 CCNN=Cc1c(cccc1I)Cl 4a_100000756455_100010147682 [0,2,0,0,0,0|1,0,1]=4 21842 B13R1.8919 CCOCCc1c(cccc1Cl)Cl 34a_100011934077_100000210202 [0,2,0,0,0,0|1,0,0]=3 21843 B13R1.8919 CCOCCc1c(cccc1Cl)Cl 34a_100121572206_100012161200 [0,2,0,0,0,0|1,0,0]=3 21844 B13R1.8919 CCOCCc1c(cccc1Cl)Cl 7a_100011934077_100000210202 [0,2,0,0,0,0|1,0,0]=3 21845 B13R1.8919 CCOCCc1c(cccc1Cl)F 34a_100011273940_100000210202 [0,2,0,0,0,0|1,0,0]=3 21846 B13R1.8919 CCOCCc1c(cccc1Cl)F 7a_100011273940_100000210202 [0,2,0,0,0,0|1,0,0]=3 21847 B13R1.8919 CCOCCc1c(cccc1F)F 34a_100011975733_100000210202 [0,2,0,0,0,0|1,1,0]=4 21848 B13R1.8919 CCOCCc1c(cccc1F)F 7a_100011975733_100000210202 [0,2,0,0,0,0|1,1,0]=4 21849 B13R1.8919 CCOCSc1c(cccc1Br)Cl 62a_100000739092_100010214488 [0,2,0,0,0,0|2,0,0]=4 21850 B13R1.8919 CCOCSc1c(cccc1Br)Cl 62a_100010214488_100000739092 [0,2,0,0,0,0|2,0,0]=4 21851 B13R1.8919 CCOCSc1c(cccc1Cl)C 62a_100000043165_100000739092 [0,2,0,0,0,0|2,0,0]=4 21852 B13R1.8919 CCOCSc1c(cccc1Cl)C 62a_100000739092_100000043165 [0,2,0,0,0,0|2,0,0]=4 21853 B13R1.8919 CCOCSc1c(cccc1Cl)Cl 62a_100000034237_100000739092 [0,2,0,0,0,0|2,0,0]=4 21854 B13R1.8919 CCOCSc1c(cccc1Cl)Cl 62a_100000739092_100000034237 [0,2,0,0,0,0|2,0,0]=4 21855 B13R1.8919 CCOCSc1c(cccc1Cl)F 62a_100000050007_100000739092 [0,2,0,0,0,0|2,0,0]=4 21856 B13R1.8919 CCOCSc1c(cccc1Cl)F 62a_100000739092_100000050007 [0,2,0,0,0,0|2,0,0]=4 21857 B13R1.8919 CCOCSc1c(cccc1Cl)N 62a_100000049713_100000739092 [0,2,0,0,0,0|2,0,0]=4 21858 B13R1.8919 CCOCSc1c(cccc1Cl)N 62a_100000739092_100000049713 [0,2,0,0,0,0|2,0,0]=4 21859 B13R1.8919 CCOCSc1c(cccc1Cl)O 62a_100000739092_100000050174 [0,2,0,0,0,0|2,0,0]=4 21860 B13R1.8919 CCSCCc1c(cccc1Cl)Cl 62a_100000210202_100012161200 [0,2,0,0,0,0|1,0,0]=3 21861 B13R1.8919 CCSCCc1c(cccc1Cl)Cl 62a_100012161200_100000210202 [0,2,0,0,0,0|1,0,0]=3 21862 B13R1.8919 CNCC=Cc1c(cccc1F)F 270004a_106832991635_100011998486 [0,2,0,0,0,0|0,1,1]=4 21863 B13R1.8919 CNCCOc1c(cccc1C)C 2230a_100000740230_200000210301 [0,2,0,0,0,0|1,0,0]=3 21864 B13R1.8919 CNCCOc1c(cccc1C)C 2230a_106832991635_100000184555 [0,2,0,0,0,0|1,0,0]=3 21865 B13R1.8919 CNCCOc1c(cccc1C)C 34a_100000740230_200000210301 [0,2,0,0,0,0|1,0,0]=3 21866 B13R1.8919 CNCCOc1c(cccc1C)C 34a_100102657272_100000184555 [0,2,0,0,0,0|1,0,0]=3 21867 B13R1.8919 CNCCOc1c(cccc1C)C 7a_106832991635_100000184555 [0,2,0,0,0,0|1,0,0]=3 21868 B13R1.8919 CNCCOc1c(cccc1Cl)C 2230a_100015186626_200000210301 [0,2,0,0,0,0|0,0,0]=2 21869 B13R1.8919 CNCCOc1c(cccc1Cl)C 34a_100015186626_200000210301 [0,2,0,0,0,0|0,0,0]=2 21870 B13R1.8919 CNCCOc1c(cccc1Cl)Cl 2230a_106832991635_100000184560 [0,2,0,0,0,0|0,0,0]=2 21871 B13R1.8919 CNCCOc1c(cccc1Cl)Cl 34a_100102657272_100000184560 [0,2,0,0,0,0|0,0,0]=2 21872 B13R1.8919 CNCCOc1c(cccc1Cl)Cl 7a_106832991635_100000184560 [0,2,0,0,0,0|0,0,0]=2 21873 B13R1.8919 COCC=Cc1c(cccc1Br)Cl 271570a_100016286323_100010214488 [0,2,0,0,0,0|1,0,1]=4 21874 B13R1.8919 COCC=Cc1c(cccc1Cl)C 271570a_100016286323_100000043165 [0,2,0,0,0,0|1,0,1]=4 21875 B13R1.8919 COCC=Cc1c(cccc1Cl)Cl 271570a_100016286323_100000034237 [0,2,0,0,0,0|1,0,1]=4 21876 B13R1.8919 COCC=Cc1c(cccc1Cl)F 271570a_100016286323_100000050007 [0,2,0,0,0,0|1,0,1]=4 21877 B13R1.8919 COCC=Cc1c(cccc1Cl)N 271570a_100016286323_100000049713 [0,2,0,0,0,0|1,0,1]=4 21878 B13R1.8919 COCC=Cc1c(cccc1Cl)O 271570a_100016286323_100000050174 [0,2,0,0,0,0|1,0,1]=4 21879 B13R1.8919 COCCCc1c(cccc1Br)F 34a_100021413403_200000210301 [0,2,0,0,0,0|1,1,0]=4 21880 B13R1.8919 COCCCc1c(cccc1Br)F 7a_100021413403_200000210301 [0,2,0,0,0,0|1,1,0]=4 21881 B13R1.8919 COCCNc1c(cccc1Br)Br 34a_100000690995_100011201679 [0,2,0,0,0,0|1,1,0]=4 21882 B13R1.8919 COCCNc1c(cccc1Br)C 34a_100011834072_100011201679 [0,2,0,0,0,0|1,1,0]=4 21883 B13R1.8919 COCCNc1c(cccc1Br)Cl 34a_100102946385_100011201679 [0,2,0,0,0,0|1,0,0]=3 21884 B13R1.8919 COCCNc1c(cccc1Br)F 34a_100000684712_100011201679 [0,2,0,0,0,0|1,1,0]=4 21885 B13R1.8919 COCCNc1c(cccc1Br)O 34a_100011934926_100011201679 [0,2,0,0,0,0|1,1,0]=4 21886 B13R1.8919 COCCNc1c(cccc1C)C 34a_100000185769_100011201679 [0,2,0,0,0,0|2,0,0]=4 21887 B13R1.8919 COCCNc1c(cccc1Cl)C 34a_100000756524_100011201679 [0,2,0,0,0,0|1,0,0]=3 21888 B13R1.8919 COCCNc1c(cccc1Cl)Cl 34a_100000210028_100011201679 [0,2,0,0,0,0|1,0,0]=3 21889 B13R1.8919 COCCNc1c(cccc1Cl)F 34a_100000760031_100011201679 [0,2,0,0,0,0|1,0,0]=3 21890 B13R1.8919 COCCNc1c(cccc1Cl)O 34a_100012022510_100011201679 [0,2,0,0,0,0|1,0,0]=3 21891 B13R1.8919 COCCNc1c(cccc1F)C 34a_100000766463_100011201679 [0,2,0,0,0,0|1,1,0]=4 21892 B13R1.8919 COCCNc1c(cccc1F)F 2230a_100000210704_100011201679 [0,2,0,0,0,0|1,1,0]=4 21893 B13R1.8919 COCCNc1c(cccc1F)F 34a_100000210704_100011201679 [0,2,0,0,0,0|1,1,0]=4 21894 B13R1.8919 COCCNc1c(cccc1F)O 34a_100020591140_100011201679 [0,2,0,0,0,0|1,1,0]=4 21895 B13R1.8919 COCCNc1c(cccc1I)F 34a_100000042321_100011201679 [0,2,0,0,0,0|1,1,0]=4 21896 B13R1.8919 COCCNc1c(cccc1O)C 34a_100000743429_100011201679 [0,2,0,0,0,0|2,0,0]=4 21897 B13R1.8919 COCCOc1c(cccc1Br)Br 34a_100000736428_100011201679 [0,2,0,0,0,0|1,1,0]=4 21898 B13R1.8919 COCCOc1c(cccc1Br)Br 7a_100000736428_100000233755 [0,2,0,0,0,0|1,1,0]=4 21899 B13R1.8919 COCCOc1c(cccc1Br)C 34a_100009817157_100011201679 [0,2,0,0,0,0|1,1,0]=4 21900 B13R1.8919 COCCOc1c(cccc1Br)C 7a_100009817157_100000233755 [0,2,0,0,0,0|1,1,0]=4 21901 B13R1.8919 COCCOc1c(cccc1Br)Cl 34a_100010214474_100011201679 [0,2,0,0,0,0|1,0,0]=3 21902 B13R1.8919 COCCOc1c(cccc1Br)Cl 7a_100010214474_100000233755 [0,2,0,0,0,0|1,0,0]=3 21903 B13R1.8919 COCCOc1c(cccc1Br)F 34a_100009813666_100011201679 [0,2,0,0,0,0|1,1,0]=4 21904 B13R1.8919 COCCOc1c(cccc1Br)F 7a_100009813666_100000233755 [0,2,0,0,0,0|1,1,0]=4 21905 B13R1.8919 COCCOc1c(cccc1Br)N 34a_100011934915_100011201679 [0,2,0,0,0,0|1,1,0]=4 21906 B13R1.8919 COCCOc1c(cccc1C)C 34a_100000210341_100011201679 [0,2,0,0,0,0|2,0,0]=4 21907 B13R1.8919 COCCOc1c(cccc1C)C 34a_100138415774_100000184555 [0,2,0,0,0,0|2,0,0]=4 21908 B13R1.8919 COCCOc1c(cccc1C)C 7a_100000210341_100000233755 [0,2,0,0,0,0|2,0,0]=4 21909 B13R1.8919 COCCOc1c(cccc1Cl)C 34a_100000033731_100011201679 [0,2,0,0,0,0|1,0,0]=3 21910 B13R1.8919 COCCOc1c(cccc1Cl)C 7a_100000033731_100000233755 [0,2,0,0,0,0|1,0,0]=3 21911 B13R1.8919 COCCOc1c(cccc1Cl)Cl 34a_100000211709_100011201679 [0,2,0,0,0,0|1,0,0]=3 21912 B13R1.8919 COCCOc1c(cccc1Cl)Cl 34a_100138415774_100000184560 [0,2,0,0,0,0|1,0,0]=3 21913 B13R1.8919 COCCOc1c(cccc1Cl)Cl 34a_200011235770_200000210301 [0,2,0,0,0,0|1,0,0]=3 21914 B13R1.8919 COCCOc1c(cccc1Cl)Cl 7a_100000211709_100000233755 [0,2,0,0,0,0|1,0,0]=3 21915 B13R1.8919 COCCOc1c(cccc1Cl)Cl 7a_200011235770_200000210301 [0,2,0,0,0,0|1,0,0]=3 21916 B13R1.8919 COCCOc1c(cccc1Cl)F 34a_100000694953_100011201679 [0,2,0,0,0,0|1,0,0]=3 21917 B13R1.8919 COCCOc1c(cccc1Cl)F 7a_100000694953_100000233755 [0,2,0,0,0,0|1,0,0]=3 21918 B13R1.8919 COCCOc1c(cccc1Cl)N 34a_100000754742_100011201679 [0,2,0,0,0,0|1,0,0]=3 21919 B13R1.8919 COCCOc1c(cccc1F)C 34a_100011659162_100011201679 [0,2,0,0,0,0|1,1,0]=4 21920 B13R1.8919 COCCOc1c(cccc1F)C 7a_100011659162_100000233755 [0,2,0,0,0,0|1,1,0]=4 21921 B13R1.8919 COCCOc1c(cccc1F)F 34a_100000230165_100011201679 [0,2,0,0,0,0|1,1,0]=4 21922 B13R1.8919 COCCOc1c(cccc1F)F 7a_100000230165_100000233755 [0,2,0,0,0,0|1,1,0]=4 21923 B13R1.8919 COCCOc1c(cccc1F)N 34a_100011934987_100011201679 [0,2,0,0,0,0|1,1,0]=4 21924 B13R1.8919 COCCOc1c(cccc1I)Br 34a_100010084509_100011201679 [0,2,0,0,0,0|1,1,0]=4 21925 B13R1.8919 COCCOc1c(cccc1I)Br 7a_100010084509_100000233755 [0,2,0,0,0,0|1,1,0]=4 21926 B13R1.8919 COCCOc1c(cccc1I)Cl 34a_100010202889_100011201679 [0,2,0,0,0,0|1,0,0]=3 21927 B13R1.8919 COCCOc1c(cccc1I)Cl 7a_100010202889_100000233755 [0,2,0,0,0,0|1,0,0]=3 21928 B13R1.8919 COCCOc1c(cccc1I)F 34a_100010186298_100011201679 [0,2,0,0,0,0|1,1,0]=4 21929 B13R1.8919 COCCOc1c(cccc1I)F 7a_100010186298_100000233755 [0,2,0,0,0,0|1,1,0]=4 21930 B13R1.8919 COCCOc1c(cccc1I)N 34a_100010084371_100011201679 [0,2,0,0,0,0|1,1,0]=4 21931 B13R1.8919 COCCOc1c(cccc1N)C 34a_100000756359_100011201679 [0,2,0,0,0,0|2,0,0]=4 21932 B13R1.8919 COCCOc1c(cccc1N)C 7a_100000756359_100000233755 [0,2,0,0,0,0|2,0,0]=4 21933 B13R1.8919 COCCOc1c(cccc1N)N 34a_200016994477_100011201679 [0,2,0,0,0,0|2,0,0]=4 21934 B13R1.8919 COCCOc1c(ccnc1Cl)C 34a_100000696282_100011201679 [0,2,0,0,0,0|2,0,0]=4 21935 B13R1.8919 COCCOc1c(ccnc1Cl)C 7a_100000696282_100000233755 [0,2,0,0,0,0|2,0,0]=4 21936 B13R1.8919 COCCOc1c(ccnc1Cl)Cl 34a_100000118450_100011201679 [0,2,0,0,0,0|2,0,0]=4 21937 B13R1.8919 COCCOc1c(ccnc1Cl)Cl 7a_100000118450_100000233755 [0,2,0,0,0,0|2,0,0]=4 21938 B13R1.8919 COCCOc1c(ccnc1Cl)F 34a_100009867227_100011201679 [0,2,0,0,0,0|2,0,0]=4 21939 B13R1.8919 COCCOc1c(ccnc1Cl)F 7a_100009867227_100000233755 [0,2,0,0,0,0|2,0,0]=4 21940 B13R1.8919 COCCOc1c(ccnc1Cl)I 34a_100010067911_100011201679 [0,2,0,0,0,0|2,0,0]=4 21941 B13R1.8919 COCCOc1c(ccnc1Cl)I 7a_100010067911_100000233755 [0,2,0,0,0,0|2,0,0]=4 21942 B13R1.8919 COCCOc1c(ccnc1Cl)N 34a_100009844647_100011201679 [0,2,0,0,0,0|2,0,0]=4 21943 B13R1.8919 COCCOc1c(ccnc1Cl)N 7a_100009844647_100000233755 [0,2,0,0,0,0|2,0,0]=4 21944 B13R1.8919 COCCSc1c(cccc1Br)Br 62a_100000233755_100009994525 [0,2,0,0,0,0|1,1,0]=4 21945 B13R1.8919 COCCSc1c(cccc1Br)Br 62a_100009994525_100000233755 [0,2,0,0,0,0|1,1,0]=4 21946 B13R1.8919 COCCSc1c(cccc1Br)C 62a_100000233755_100010141302 [0,2,0,0,0,0|1,1,0]=4 21947 B13R1.8919 COCCSc1c(cccc1Br)C 62a_100010141302_100000233755 [0,2,0,0,0,0|1,1,0]=4 21948 B13R1.8919 COCCSc1c(cccc1Br)Cl 62a_100000233755_100010214488 [0,2,0,0,0,0|1,0,0]=3 21949 B13R1.8919 COCCSc1c(cccc1Br)Cl 62a_100010214488_100000233755 [0,2,0,0,0,0|1,0,0]=3 21950 B13R1.8919 COCCSc1c(cccc1Br)F 62a_100000233755_100011219512 [0,2,0,0,0,0|1,1,0]=4 21951 B13R1.8919 COCCSc1c(cccc1Br)F 62a_100011219512_100000233755 [0,2,0,0,0,0|1,1,0]=4 21952 B13R1.8919 COCCSc1c(cccc1Br)N 62a_100000233755_100020590159 [0,2,0,0,0,0|1,1,0]=4 21953 B13R1.8919 COCCSc1c(cccc1Br)N 62a_100020590159_100000233755 [0,2,0,0,0,0|1,1,0]=4 21954 B13R1.8919 COCCSc1c(cccc1Br)O 62a_100000233755_100010187912 [0,2,0,0,0,0|1,1,0]=4 21955 B13R1.8919 COCCSc1c(cccc1Br)O 62a_100010187912_100000233755 [0,2,0,0,0,0|1,1,0]=4 21956 B13R1.8919 COCCSc1c(cccc1C)C 34a_200000080753_200000210301 [0,2,0,0,0,0|2,0,0]=4 21957 B13R1.8919 COCCSc1c(cccc1C)C 62a_100000033847_100000233755 [0,2,0,0,0,0|2,0,0]=4 21958 B13R1.8919 COCCSc1c(cccc1C)C 62a_100000233755_100000033847 [0,2,0,0,0,0|2,0,0]=4 21959 B13R1.8919 COCCSc1c(cccc1C)C 7a_200000080753_200000210301 [0,2,0,0,0,0|2,0,0]=4 21960 B13R1.8919 COCCSc1c(cccc1Cl)C 62a_100000043165_100000233755 [0,2,0,0,0,0|1,0,0]=3 21961 B13R1.8919 COCCSc1c(cccc1Cl)C 62a_100000233755_100000043165 [0,2,0,0,0,0|1,0,0]=3 21962 B13R1.8919 COCCSc1c(cccc1Cl)Cl 62a_100000034237_100000233755 [0,2,0,0,0,0|1,0,0]=3 21963 B13R1.8919 COCCSc1c(cccc1Cl)Cl 62a_100000233755_100000034237 [0,2,0,0,0,0|1,0,0]=3 21964 B13R1.8919 COCCSc1c(cccc1Cl)F 62a_100000050007_100000233755 [0,2,0,0,0,0|1,0,0]=3 21965 B13R1.8919 COCCSc1c(cccc1Cl)F 62a_100000233755_100000050007 [0,2,0,0,0,0|1,0,0]=3 21966 B13R1.8919 COCCSc1c(cccc1Cl)N 62a_100000049713_100000233755 [0,2,0,0,0,0|1,0,0]=3 21967 B13R1.8919 COCCSc1c(cccc1Cl)N 62a_100000233755_100000049713 [0,2,0,0,0,0|1,0,0]=3 21968 B13R1.8919 COCCSc1c(cccc1Cl)O 62a_100000233755_100000050174 [0,2,0,0,0,0|1,0,0]=3 21969 B13R1.8919 COCCSc1c(cccc1F)C 62a_100000233755_100011218421 [0,2,0,0,0,0|1,1,0]=4 21970 B13R1.8919 COCCSc1c(cccc1F)C 62a_100011218421_100000233755 [0,2,0,0,0,0|1,1,0]=4 21971 B13R1.8919 COCCSc1c(cccc1F)F 62a_100000233755_100000693133 [0,2,0,0,0,0|1,1,0]=4 21972 B13R1.8919 COCCSc1c(cccc1F)F 62a_100000693133_100000233755 [0,2,0,0,0,0|1,1,0]=4 21973 B13R1.8919 COCCSc1c(cccc1F)N 62a_100000233755_100000690935 [0,2,0,0,0,0|1,1,0]=4 21974 B13R1.8919 COCCSc1c(cccc1F)N 62a_100000690935_100000233755 [0,2,0,0,0,0|1,1,0]=4 21975 B13R1.8919 COCCSc1c(cccc1F)O 62a_100000233755_100009820682 [0,2,0,0,0,0|1,1,0]=4 21976 B13R1.8919 COCCSc1c(cccc1F)O 62a_100009820682_100000233755 [0,2,0,0,0,0|1,1,0]=4 21977 B13R1.8919 COCCSc1c(cccc1N)C 62a_100000233755_100000684715 [0,2,0,0,0,0|2,0,0]=4 21978 B13R1.8919 COCCSc1c(cccc1N)C 62a_100000684715_100000233755 [0,2,0,0,0,0|2,0,0]=4 21979 B13R1.8919 COCCSc1c(cccc1O)C 62a_100000233755_100000686692 [0,2,0,0,0,0|2,0,0]=4 21980 B13R1.8919 COCCSc1c(cccc1O)C 62a_100000686692_100000233755 [0,2,0,0,0,0|2,0,0]=4 21981 B13R1.8919 COCCSc1c(cccc1O)N 62a_100000233755_100012183704 [0,2,0,0,0,0|2,0,0]=4 21982 B13R1.8919 COCCSc1c(cccc1O)N 62a_100012183704_100000233755 [0,2,0,0,0,0|2,0,0]=4 21983 B13R1.8919 COCCSc1c(cccc1O)O 62a_100000233755_100010205330 [0,2,0,0,0,0|2,0,0]=4 21984 B13R1.8919 COCCSc1c(ccnc1Cl)Br 62a_100000233755_100009814607 [0,2,0,0,0,0|2,0,0]=4 21985 B13R1.8919 COCCSc1c(ccnc1Cl)Br 62a_100009814607_100000233755 [0,2,0,0,0,0|2,0,0]=4 21986 B13R1.8919 COCCSc1c(ccnc1Cl)C 62a_100000233755_100010248874 [0,2,0,0,0,0|2,0,0]=4 21987 B13R1.8919 COCCSc1c(ccnc1Cl)C 62a_100010248874_100000233755 [0,2,0,0,0,0|2,0,0]=4 21988 B13R1.8919 COCCSc1c(ccnc1Cl)Cl 62a_100000050019_100000233755 [0,2,0,0,0,0|2,0,0]=4 21989 B13R1.8919 COCCSc1c(ccnc1Cl)Cl 62a_100000233755_100000050019 [0,2,0,0,0,0|2,0,0]=4 21990 B13R1.8919 COCCSc1c(ccnc1Cl)F 62a_100000233755_100000716511 [0,2,0,0,0,0|2,0,0]=4 21991 B13R1.8919 COCCSc1c(ccnc1Cl)F 62a_100000716511_100000233755 [0,2,0,0,0,0|2,0,0]=4 21992 B13R1.8919 COCCSc1c(ccnc1Cl)N 62a_100000233755_100010208016 [0,2,0,0,0,0|2,0,0]=4 21993 B13R1.8919 COCCSc1c(ccnc1Cl)N 62a_100010208016_100000233755 [0,2,0,0,0,0|2,0,0]=4 21994 B13R1.8919 COCCSc1c(ccnc1N)Cl 62a_100000233755_100010199028 [0,2,0,0,0,0|2,0,0]=4 21995 B13R1.8919 COCCSc1c(ccnc1N)Cl 62a_100010199028_100000233755 [0,2,0,0,0,0|2,0,0]=4 21996 B13R1.8919 COCCSc1c(cncc1Cl)Cl 62a_100000036193_100000233755 [0,2,0,0,0,0|2,0,0]=4 21997 B13R1.8919 COCCSc1c(cncc1Cl)Cl 62a_100000233755_100000036193 [0,2,0,0,0,0|2,0,0]=4 21998 B13R1.8919 COCNCc1c(cccc1Cl)Cl 2230a_100000174884_100000766300 [0,2,0,0,0,0|1,0,0]=3 21999 B13R1.8919 COCSCc1c(cccc1Br)C 62a_100000766300_100010146847 [0,2,0,0,0,0|1,1,0]=4 22000 B13R1.8919 COCSCc1c(cccc1Br)C 62a_100010146847_100000766300 [0,2,0,0,0,0|1,1,0]=4 22001 B13R1.8919 COCSCc1c(cccc1Br)Cl 62a_100000766300_100010138402 [0,2,0,0,0,0|1,0,0]=3 22002 B13R1.8919 COCSCc1c(cccc1Br)Cl 62a_100010138402_100000766300 [0,2,0,0,0,0|1,0,0]=3 22003 B13R1.8919 COCSCc1c(cccc1Br)F 62a_100000766300_100012145669 [0,2,0,0,0,0|1,1,0]=4 22004 B13R1.8919 COCSCc1c(cccc1Br)F 62a_100012145669_100000766300 [0,2,0,0,0,0|1,1,0]=4 22005 B13R1.8919 COCSCc1c(cccc1C)C 62a_100000758300_100000766300 [0,2,0,0,0,0|2,0,0]=4 22006 B13R1.8919 COCSCc1c(cccc1C)C 62a_100000766300_100000758300 [0,2,0,0,0,0|2,0,0]=4 22007 B13R1.8919 COCSCc1c(cccc1Cl)Cl 62a_100000187851_100000766300 [0,2,0,0,0,0|1,0,0]=3 22008 B13R1.8919 COCSCc1c(cccc1Cl)Cl 62a_100000766300_100000187851 [0,2,0,0,0,0|1,0,0]=3 22009 B13R1.8919 COCSCc1c(cccc1Cl)F 62a_100000187852_100000766300 [0,2,0,0,0,0|1,0,0]=3 22010 B13R1.8919 COCSCc1c(cccc1Cl)F 62a_100000766300_100000187852 [0,2,0,0,0,0|1,0,0]=3 22011 B13R1.8919 COCSCc1c(cccc1F)C 62a_100000766300_100009814554 [0,2,0,0,0,0|1,1,0]=4 22012 B13R1.8919 COCSCc1c(cccc1F)C 62a_100009814554_100000766300 [0,2,0,0,0,0|1,1,0]=4 22013 B13R1.8919 COCSCc1c(cccc1F)F 62a_100000709179_100000766300 [0,2,0,0,0,0|1,1,0]=4 22014 B13R1.8919 COCSCc1c(cccc1F)F 62a_100000766300_100000698325 [0,2,0,0,0,0|1,1,0]=4 22015 B13R1.8919 COCSCc1c(cccc1I)Br 62a_100000766300_100010146611 [0,2,0,0,0,0|1,1,0]=4 22016 B13R1.8919 COCSCc1c(cccc1I)Br 62a_100010146611_100000766300 [0,2,0,0,0,0|1,1,0]=4 22017 B13R1.8919 COCSCc1c(cccc1I)C 62a_100000766300_100010150146 [0,2,0,0,0,0|1,1,0]=4 22018 B13R1.8919 COCSCc1c(cccc1I)C 62a_100010150146_100000766300 [0,2,0,0,0,0|1,1,0]=4 22019 B13R1.8919 COCSCc1c(cccc1I)F 62a_100000766300_100010149602 [0,2,0,0,0,0|1,1,0]=4 22020 B13R1.8919 COCSCc1c(cccc1I)F 62a_100010149602_100000766300 [0,2,0,0,0,0|1,1,0]=4 22021 B13R1.8919 COCSCc1c(cncc1Cl)Cl 62a_100000766300_200009872113 [0,2,0,0,0,0|2,0,0]=4 22022 B13R1.8919 COCSCc1c(cncc1Cl)Cl 62a_200009872113_100000766300 [0,2,0,0,0,0|2,0,0]=4 22023 B13R1.8919 CSCCNc1c(cccc1Br)Br 34a_100000690995_100000212216 [0,2,0,0,0,0|1,1,0]=4 22024 B13R1.8919 CSCCNc1c(cccc1Br)C 34a_100011834072_100000212216 [0,2,0,0,0,0|1,1,0]=4 22025 B13R1.8919 CSCCNc1c(cccc1Br)Cl 34a_100102946385_100000212216 [0,2,0,0,0,0|1,0,0]=3 22026 B13R1.8919 CSCCNc1c(cccc1Br)F 34a_100000684712_100000212216 [0,2,0,0,0,0|1,1,0]=4 22027 B13R1.8919 CSCCNc1c(cccc1Br)O 34a_100011934926_100000212216 [0,2,0,0,0,0|1,1,0]=4 22028 B13R1.8919 CSCCNc1c(cccc1C)C 34a_100000185769_100000212216 [0,2,0,0,0,0|2,0,0]=4 22029 B13R1.8919 CSCCNc1c(cccc1Cl)C 34a_100000756524_100000212216 [0,2,0,0,0,0|1,0,0]=3 22030 B13R1.8919 CSCCNc1c(cccc1Cl)Cl 34a_100000210028_100000212216 [0,2,0,0,0,0|1,0,0]=3 22031 B13R1.8919 CSCCNc1c(cccc1Cl)F 34a_100000760031_100000212216 [0,2,0,0,0,0|1,0,0]=3 22032 B13R1.8919 CSCCNc1c(cccc1Cl)O 34a_100012022510_100000212216 [0,2,0,0,0,0|1,0,0]=3 22033 B13R1.8919 CSCCNc1c(cccc1F)C 34a_100000766463_100000212216 [0,2,0,0,0,0|1,1,0]=4 22034 B13R1.8919 CSCCNc1c(cccc1F)F 2230a_100000210704_100000751147 [0,2,0,0,0,0|1,1,0]=4 22035 B13R1.8919 CSCCNc1c(cccc1F)F 34a_100000210704_100000212216 [0,2,0,0,0,0|1,1,0]=4 22036 B13R1.8919 CSCCNc1c(cccc1F)O 34a_100020591140_100000212216 [0,2,0,0,0,0|1,1,0]=4 22037 B13R1.8919 CSCCNc1c(cccc1I)F 34a_100000042321_100000212216 [0,2,0,0,0,0|1,1,0]=4 22038 B13R1.8919 CSCCNc1c(cccc1O)C 34a_100000743429_100000212216 [0,2,0,0,0,0|2,0,0]=4 22039 B13R1.8919 CSCCOc1c(cccc1Br)Br 34a_100000736428_100000212216 [0,2,0,0,0,0|1,1,0]=4 22040 B13R1.8919 CSCCOc1c(cccc1Br)Br 7a_100000736428_100000212216 [0,2,0,0,0,0|1,1,0]=4 22041 B13R1.8919 CSCCOc1c(cccc1Br)C 34a_100009817157_100000212216 [0,2,0,0,0,0|1,1,0]=4 22042 B13R1.8919 CSCCOc1c(cccc1Br)C 7a_100009817157_100000212216 [0,2,0,0,0,0|1,1,0]=4 22043 B13R1.8919 CSCCOc1c(cccc1Br)Cl 34a_100010214474_100000212216 [0,2,0,0,0,0|1,0,0]=3 22044 B13R1.8919 CSCCOc1c(cccc1Br)Cl 7a_100010214474_100000212216 [0,2,0,0,0,0|1,0,0]=3 22045 B13R1.8919 CSCCOc1c(cccc1Br)F 34a_100009813666_100000212216 [0,2,0,0,0,0|1,1,0]=4 22046 B13R1.8919 CSCCOc1c(cccc1Br)F 7a_100009813666_100000212216 [0,2,0,0,0,0|1,1,0]=4 22047 B13R1.8919 CSCCOc1c(cccc1Br)N 34a_100011934915_100000212216 [0,2,0,0,0,0|1,1,0]=4 22048 B13R1.8919 CSCCOc1c(cccc1C)C 34a_100000210341_100000212216 [0,2,0,0,0,0|2,0,0]=4 22049 B13R1.8919 CSCCOc1c(cccc1C)C 62a_100000184555_200000210301 [0,2,0,0,0,0|2,0,0]=4 22050 B13R1.8919 CSCCOc1c(cccc1C)C 62a_200000210301_100000184555 [0,2,0,0,0,0|2,0,0]=4 22051 B13R1.8919 CSCCOc1c(cccc1C)C 7a_100000210341_100000212216 [0,2,0,0,0,0|2,0,0]=4 22052 B13R1.8919 CSCCOc1c(cccc1Cl)C 34a_100000033731_100000212216 [0,2,0,0,0,0|1,0,0]=3 22053 B13R1.8919 CSCCOc1c(cccc1Cl)C 7a_100000033731_100000212216 [0,2,0,0,0,0|1,0,0]=3 22054 B13R1.8919 CSCCOc1c(cccc1Cl)Cl 34a_100000211709_100000212216 [0,2,0,0,0,0|1,0,0]=3 22055 B13R1.8919 CSCCOc1c(cccc1Cl)Cl 62a_100000184560_200000210301 [0,2,0,0,0,0|1,0,0]=3 22056 B13R1.8919 CSCCOc1c(cccc1Cl)Cl 62a_200000210301_100000184560 [0,2,0,0,0,0|1,0,0]=3 22057 B13R1.8919 CSCCOc1c(cccc1Cl)Cl 7a_100000211709_100000212216 [0,2,0,0,0,0|1,0,0]=3 22058 B13R1.8919 CSCCOc1c(cccc1Cl)F 34a_100000694953_100000212216 [0,2,0,0,0,0|1,0,0]=3 22059 B13R1.8919 CSCCOc1c(cccc1Cl)F 7a_100000694953_100000212216 [0,2,0,0,0,0|1,0,0]=3 22060 B13R1.8919 CSCCOc1c(cccc1Cl)N 34a_100000754742_100000212216 [0,2,0,0,0,0|1,0,0]=3 22061 B13R1.8919 CSCCOc1c(cccc1F)C 34a_100011659162_100000212216 [0,2,0,0,0,0|1,1,0]=4 22062 B13R1.8919 CSCCOc1c(cccc1F)C 7a_100011659162_100000212216 [0,2,0,0,0,0|1,1,0]=4 22063 B13R1.8919 CSCCOc1c(cccc1F)F 34a_100000230165_100000212216 [0,2,0,0,0,0|1,1,0]=4 22064 B13R1.8919 CSCCOc1c(cccc1F)F 7a_100000230165_100000212216 [0,2,0,0,0,0|1,1,0]=4 22065 B13R1.8919 CSCCOc1c(cccc1F)N 34a_100011934987_100000212216 [0,2,0,0,0,0|1,1,0]=4 22066 B13R1.8919 CSCCOc1c(cccc1I)Br 34a_100010084509_100000212216 [0,2,0,0,0,0|1,1,0]=4 22067 B13R1.8919 CSCCOc1c(cccc1I)Br 7a_100010084509_100000212216 [0,2,0,0,0,0|1,1,0]=4 22068 B13R1.8919 CSCCOc1c(cccc1I)Cl 34a_100010202889_100000212216 [0,2,0,0,0,0|1,0,0]=3 22069 B13R1.8919 CSCCOc1c(cccc1I)Cl 7a_100010202889_100000212216 [0,2,0,0,0,0|1,0,0]=3 22070 B13R1.8919 CSCCOc1c(cccc1I)F 34a_100010186298_100000212216 [0,2,0,0,0,0|1,1,0]=4 22071 B13R1.8919 CSCCOc1c(cccc1I)F 7a_100010186298_100000212216 [0,2,0,0,0,0|1,1,0]=4 22072 B13R1.8919 CSCCOc1c(cccc1I)N 34a_100010084371_100000212216 [0,2,0,0,0,0|1,1,0]=4 22073 B13R1.8919 CSCCOc1c(cccc1N)C 34a_100000756359_100000212216 [0,2,0,0,0,0|2,0,0]=4 22074 B13R1.8919 CSCCOc1c(cccc1N)C 7a_100000756359_100000212216 [0,2,0,0,0,0|2,0,0]=4 22075 B13R1.8919 CSCCOc1c(cccc1N)N 34a_200016994477_100000212216 [0,2,0,0,0,0|2,0,0]=4 22076 B13R1.8919 CSCCOc1c(ccnc1Cl)C 34a_100000696282_100000212216 [0,2,0,0,0,0|2,0,0]=4 22077 B13R1.8919 CSCCOc1c(ccnc1Cl)C 7a_100000696282_100000212216 [0,2,0,0,0,0|2,0,0]=4 22078 B13R1.8919 CSCCOc1c(ccnc1Cl)Cl 34a_100000118450_100000212216 [0,2,0,0,0,0|2,0,0]=4 22079 B13R1.8919 CSCCOc1c(ccnc1Cl)Cl 7a_100000118450_100000212216 [0,2,0,0,0,0|2,0,0]=4 22080 B13R1.8919 CSCCOc1c(ccnc1Cl)F 34a_100009867227_100000212216 [0,2,0,0,0,0|2,0,0]=4 22081 B13R1.8919 CSCCOc1c(ccnc1Cl)F 7a_100009867227_100000212216 [0,2,0,0,0,0|2,0,0]=4 22082 B13R1.8919 CSCCOc1c(ccnc1Cl)I 34a_100010067911_100000212216 [0,2,0,0,0,0|2,0,0]=4 22083 B13R1.8919 CSCCOc1c(ccnc1Cl)I 7a_100010067911_100000212216 [0,2,0,0,0,0|2,0,0]=4 22084 B13R1.8919 CSCCOc1c(ccnc1Cl)N 34a_100009844647_100000212216 [0,2,0,0,0,0|2,0,0]=4 22085 B13R1.8919 CSCCOc1c(ccnc1Cl)N 7a_100009844647_100000212216 [0,2,0,0,0,0|2,0,0]=4 22086 B13R1.8919 CSCCSc1c(cccc1Br)Br 62a_100000212216_100009994525 [0,2,0,0,0,0|1,1,0]=4 22087 B13R1.8919 CSCCSc1c(cccc1Br)Br 62a_100009994525_100000751147 [0,2,0,0,0,0|1,1,0]=4 22088 B13R1.8919 CSCCSc1c(cccc1Br)C 62a_100000212216_100010141302 [0,2,0,0,0,0|1,1,0]=4 22089 B13R1.8919 CSCCSc1c(cccc1Br)C 62a_100010141302_100000751147 [0,2,0,0,0,0|1,1,0]=4 22090 B13R1.8919 CSCCSc1c(cccc1Br)Cl 62a_100000212216_100010214488 [0,2,0,0,0,0|1,0,0]=3 22091 B13R1.8919 CSCCSc1c(cccc1Br)Cl 62a_100010214488_100000751147 [0,2,0,0,0,0|1,0,0]=3 22092 B13R1.8919 CSCCSc1c(cccc1Br)F 62a_100000212216_100011219512 [0,2,0,0,0,0|1,1,0]=4 22093 B13R1.8919 CSCCSc1c(cccc1Br)F 62a_100011219512_100000751147 [0,2,0,0,0,0|1,1,0]=4 22094 B13R1.8919 CSCCSc1c(cccc1Br)N 62a_100000212216_100020590159 [0,2,0,0,0,0|1,1,0]=4 22095 B13R1.8919 CSCCSc1c(cccc1Br)N 62a_100020590159_100000751147 [0,2,0,0,0,0|1,1,0]=4 22096 B13R1.8919 CSCCSc1c(cccc1Br)O 62a_100000212216_100010187912 [0,2,0,0,0,0|1,1,0]=4 22097 B13R1.8919 CSCCSc1c(cccc1Br)O 62a_100010187912_100000751147 [0,2,0,0,0,0|1,1,0]=4 22098 B13R1.8919 CSCCSc1c(cccc1C)C 62a_100000033847_100000751147 [0,2,0,0,0,0|2,0,0]=4 22099 B13R1.8919 CSCCSc1c(cccc1C)C 62a_100000212216_100000033847 [0,2,0,0,0,0|2,0,0]=4 22100 B13R1.8919 CSCCSc1c(cccc1Cl)C 62a_100000043165_100000751147 [0,2,0,0,0,0|1,0,0]=3 22101 B13R1.8919 CSCCSc1c(cccc1Cl)C 62a_100000212216_100000043165 [0,2,0,0,0,0|1,0,0]=3 22102 B13R1.8919 CSCCSc1c(cccc1Cl)Cl 62a_100000034237_100000751147 [0,2,0,0,0,0|1,0,0]=3 22103 B13R1.8919 CSCCSc1c(cccc1Cl)Cl 62a_100000212216_100000034237 [0,2,0,0,0,0|1,0,0]=3 22104 B13R1.8919 CSCCSc1c(cccc1Cl)F 62a_100000050007_100000751147 [0,2,0,0,0,0|1,0,0]=3 22105 B13R1.8919 CSCCSc1c(cccc1Cl)F 62a_100000212216_100000050007 [0,2,0,0,0,0|1,0,0]=3 22106 B13R1.8919 CSCCSc1c(cccc1Cl)N 62a_100000049713_100000751147 [0,2,0,0,0,0|1,0,0]=3 22107 B13R1.8919 CSCCSc1c(cccc1Cl)N 62a_100000212216_100000049713 [0,2,0,0,0,0|1,0,0]=3 22108 B13R1.8919 CSCCSc1c(cccc1Cl)O 62a_100000212216_100000050174 [0,2,0,0,0,0|1,0,0]=3 22109 B13R1.8919 CSCCSc1c(cccc1F)C 62a_100000212216_100011218421 [0,2,0,0,0,0|1,1,0]=4 22110 B13R1.8919 CSCCSc1c(cccc1F)C 62a_100011218421_100000751147 [0,2,0,0,0,0|1,1,0]=4 22111 B13R1.8919 CSCCSc1c(cccc1F)F 62a_100000212216_100000693133 [0,2,0,0,0,0|1,1,0]=4 22112 B13R1.8919 CSCCSc1c(cccc1F)F 62a_100000693133_100000751147 [0,2,0,0,0,0|1,1,0]=4 22113 B13R1.8919 CSCCSc1c(cccc1F)N 62a_100000212216_100000690935 [0,2,0,0,0,0|1,1,0]=4 22114 B13R1.8919 CSCCSc1c(cccc1F)N 62a_100000690935_100000751147 [0,2,0,0,0,0|1,1,0]=4 22115 B13R1.8919 CSCCSc1c(cccc1F)O 62a_100000212216_100009820682 [0,2,0,0,0,0|1,1,0]=4 22116 B13R1.8919 CSCCSc1c(cccc1F)O 62a_100009820682_100000751147 [0,2,0,0,0,0|1,1,0]=4 22117 B13R1.8919 CSCCSc1c(cccc1N)C 62a_100000212216_100000684715 [0,2,0,0,0,0|2,0,0]=4 22118 B13R1.8919 CSCCSc1c(cccc1N)C 62a_100000684715_100000751147 [0,2,0,0,0,0|2,0,0]=4 22119 B13R1.8919 CSCCSc1c(cccc1O)C 62a_100000212216_100000686692 [0,2,0,0,0,0|2,0,0]=4 22120 B13R1.8919 CSCCSc1c(cccc1O)C 62a_100000686692_100000751147 [0,2,0,0,0,0|2,0,0]=4 22121 B13R1.8919 CSCCSc1c(cccc1O)N 62a_100000212216_100012183704 [0,2,0,0,0,0|2,0,0]=4 22122 B13R1.8919 CSCCSc1c(cccc1O)N 62a_100012183704_100000751147 [0,2,0,0,0,0|2,0,0]=4 22123 B13R1.8919 CSCCSc1c(cccc1O)O 62a_100000212216_100010205330 [0,2,0,0,0,0|2,0,0]=4 22124 B13R1.8919 CSCCSc1c(ccnc1Cl)Br 62a_100000212216_100009814607 [0,2,0,0,0,0|2,0,0]=4 22125 B13R1.8919 CSCCSc1c(ccnc1Cl)Br 62a_100009814607_100000751147 [0,2,0,0,0,0|2,0,0]=4 22126 B13R1.8919 CSCCSc1c(ccnc1Cl)C 62a_100000212216_100010248874 [0,2,0,0,0,0|2,0,0]=4 22127 B13R1.8919 CSCCSc1c(ccnc1Cl)C 62a_100010248874_100000751147 [0,2,0,0,0,0|2,0,0]=4 22128 B13R1.8919 CSCCSc1c(ccnc1Cl)Cl 62a_100000050019_100000751147 [0,2,0,0,0,0|2,0,0]=4 22129 B13R1.8919 CSCCSc1c(ccnc1Cl)Cl 62a_100000212216_100000050019 [0,2,0,0,0,0|2,0,0]=4 22130 B13R1.8919 CSCCSc1c(ccnc1Cl)F 62a_100000212216_100000716511 [0,2,0,0,0,0|2,0,0]=4 22131 B13R1.8919 CSCCSc1c(ccnc1Cl)F 62a_100000716511_100000751147 [0,2,0,0,0,0|2,0,0]=4 22132 B13R1.8919 CSCCSc1c(ccnc1Cl)N 62a_100000212216_100010208016 [0,2,0,0,0,0|2,0,0]=4 22133 B13R1.8919 CSCCSc1c(ccnc1Cl)N 62a_100010208016_100000751147 [0,2,0,0,0,0|2,0,0]=4 22134 B13R1.8919 CSCCSc1c(ccnc1N)Cl 62a_100000212216_100010199028 [0,2,0,0,0,0|2,0,0]=4 22135 B13R1.8919 CSCCSc1c(ccnc1N)Cl 62a_100010199028_100000751147 [0,2,0,0,0,0|2,0,0]=4 22136 B13R1.8919 CSCCSc1c(cncc1Cl)Cl 62a_100000036193_100000751147 [0,2,0,0,0,0|2,0,0]=4 22137 B13R1.8919 CSCCSc1c(cncc1Cl)Cl 62a_100000212216_100000036193 [0,2,0,0,0,0|2,0,0]=4 22138 B13R1.8919 CSCNCc1c(cccc1Br)F 34a_100012349121_100011218213 [0,2,0,0,0,0|1,1,0]=4 22139 B13R1.8919 CSCNCc1c(cccc1C)C 34a_100000689800_100011218213 [0,2,0,0,0,0|2,0,0]=4 22140 B13R1.8919 CSCNCc1c(cccc1Cl)Cl 2230a_100000174884_100011218213 [0,2,0,0,0,0|1,0,0]=3 22141 B13R1.8919 CSCNCc1c(cccc1Cl)Cl 34a_100000174884_100011218213 [0,2,0,0,0,0|1,0,0]=3 22142 B13R1.8919 CSCNCc1c(cccc1Cl)F 34a_100000174883_100011218213 [0,2,0,0,0,0|1,0,0]=3 22143 B13R1.8919 CSCNCc1c(cccc1F)C 34a_100000762012_100011218213 [0,2,0,0,0,0|1,1,0]=4 22144 B13R1.8919 CSCNCc1c(cccc1F)F 34a_100000688400_100011218213 [0,2,0,0,0,0|1,1,0]=4 22145 B13R1.8919 CSCOCc1c(cccc1Br)Br 34a_100010172814_100011218213 [0,2,0,0,0,0|1,1,0]=4 22146 B13R1.8919 CSCOCc1c(cccc1Br)F 34a_100012355691_100011218213 [0,2,0,0,0,0|1,1,0]=4 22147 B13R1.8919 CSCOCc1c(cccc1Br)N 34a_100000747656_100011218213 [0,2,0,0,0,0|1,1,0]=4 22148 B13R1.8919 CSCOCc1c(cccc1C)C 34a_100011933981_100011218213 [0,2,0,0,0,0|2,0,0]=4 22149 B13R1.8919 CSCOCc1c(cccc1Cl)C 34a_100000082531_100011218213 [0,2,0,0,0,0|1,0,0]=3 22150 B13R1.8919 CSCOCc1c(cccc1Cl)Cl 34a_100000215722_100011218213 [0,2,0,0,0,0|1,0,0]=3 22151 B13R1.8919 CSCOCc1c(cccc1Cl)F 34a_100000215723_100011218213 [0,2,0,0,0,0|1,0,0]=3 22152 B13R1.8919 CSCOCc1c(cccc1Cl)N 34a_100011916388_100011218213 [0,2,0,0,0,0|1,0,0]=3 22153 B13R1.8919 CSCOCc1c(cccc1F)C 34a_100000057874_100011218213 [0,2,0,0,0,0|1,1,0]=4 22154 B13R1.8919 CSCOCc1c(cccc1F)F 34a_100000698215_100011218213 [0,2,0,0,0,0|1,1,0]=4 22155 B13R1.8919 CSCOCc1c(cccc1F)N 34a_100011846719_100011218213 [0,2,0,0,0,0|1,1,0]=4 22156 B13R1.8919 CSCOCc1c(cccc1I)F 34a_100010214973_100011218213 [0,2,0,0,0,0|1,1,0]=4 22157 B13R1.8919 CSCOCc1c(ccnc1Cl)Cl 34a_200009882739_100011218213 [0,2,0,0,0,0|2,0,0]=4 22158 B13R1.8919 CSCSCc1c(cccc1Br)C 62a_100010146847_100011218213 [0,2,0,0,0,0|1,1,0]=4 22159 B13R1.8919 CSCSCc1c(cccc1Br)C 62a_100011218213_100010146847 [0,2,0,0,0,0|1,1,0]=4 22160 B13R1.8919 CSCSCc1c(cccc1Br)Cl 62a_100010138402_100011218213 [0,2,0,0,0,0|1,0,0]=3 22161 B13R1.8919 CSCSCc1c(cccc1Br)Cl 62a_100011218213_100010138402 [0,2,0,0,0,0|1,0,0]=3 22162 B13R1.8919 CSCSCc1c(cccc1Br)F 62a_100011218213_100012145669 [0,2,0,0,0,0|1,1,0]=4 22163 B13R1.8919 CSCSCc1c(cccc1Br)F 62a_100012145669_100011218213 [0,2,0,0,0,0|1,1,0]=4 22164 B13R1.8919 CSCSCc1c(cccc1C)C 62a_100000758300_100011218213 [0,2,0,0,0,0|2,0,0]=4 22165 B13R1.8919 CSCSCc1c(cccc1C)C 62a_100011218213_100000758300 [0,2,0,0,0,0|2,0,0]=4 22166 B13R1.8919 CSCSCc1c(cccc1Cl)Cl 62a_100000187851_100011218213 [0,2,0,0,0,0|1,0,0]=3 22167 B13R1.8919 CSCSCc1c(cccc1Cl)Cl 62a_100011218213_100000187851 [0,2,0,0,0,0|1,0,0]=3 22168 B13R1.8919 CSCSCc1c(cccc1Cl)F 62a_100000187852_100011218213 [0,2,0,0,0,0|1,0,0]=3 22169 B13R1.8919 CSCSCc1c(cccc1Cl)F 62a_100011218213_100000187852 [0,2,0,0,0,0|1,0,0]=3 22170 B13R1.8919 CSCSCc1c(cccc1F)C 62a_100009814554_100011218213 [0,2,0,0,0,0|1,1,0]=4 22171 B13R1.8919 CSCSCc1c(cccc1F)C 62a_100011218213_100009814554 [0,2,0,0,0,0|1,1,0]=4 22172 B13R1.8919 CSCSCc1c(cccc1F)F 62a_100000709179_100011218213 [0,2,0,0,0,0|1,1,0]=4 22173 B13R1.8919 CSCSCc1c(cccc1F)F 62a_100011218213_100000698325 [0,2,0,0,0,0|1,1,0]=4 22174 B13R1.8919 CSCSCc1c(cccc1I)Br 62a_100010146611_100011218213 [0,2,0,0,0,0|1,1,0]=4 22175 B13R1.8919 CSCSCc1c(cccc1I)Br 62a_100011218213_100010146611 [0,2,0,0,0,0|1,1,0]=4 22176 B13R1.8919 CSCSCc1c(cccc1I)C 62a_100010150146_100011218213 [0,2,0,0,0,0|1,1,0]=4 22177 B13R1.8919 CSCSCc1c(cccc1I)C 62a_100011218213_100010150146 [0,2,0,0,0,0|1,1,0]=4 22178 B13R1.8919 CSCSCc1c(cccc1I)F 62a_100010149602_100011218213 [0,2,0,0,0,0|1,1,0]=4 22179 B13R1.8919 CSCSCc1c(cccc1I)F 62a_100011218213_100010149602 [0,2,0,0,0,0|1,1,0]=4 22180 B13R1.8919 CSCSCc1c(cncc1Cl)Cl 62a_100011218213_200009872113 [0,2,0,0,0,0|2,0,0]=4 22181 B13R1.8919 CSCSCc1c(cncc1Cl)Cl 62a_200009872113_100011218213 [0,2,0,0,0,0|2,0,0]=4 22182 B13R1.8919 Cc1cccc(c1CNCCO)Cl 207a_100000210304_100000041122 [0,2,0,0,0,0|2,0,0]=4 22183 B13R1.8919 Cc1cccc(c1CNCCO)Cl 270004a_100000210304_100000041122 [0,2,0,0,0,0|2,0,0]=4 22184 B13R1.8919 Cc1cccc(c1COCC#N)Cl 7a_100000082531_100011215382 [0,2,0,0,0,0|2,0,0]=4 22185 B13R1.8919 Cc1cccc(c1COCC=O)Cl 34a_100000082531_200009817547 [0,2,0,0,0,0|2,0,0]=4 22186 B13R1.8919 Cc1cccc(c1COCC=O)Cl 7a_100000082531_200015260668 [0,2,0,0,0,0|2,0,0]=4 22187 B13R1.8919 Cc1cccc(c1COCCF)Cl 34a_100000082531_100011217306 [0,2,0,0,0,0|2,0,0]=4 22188 B13R1.8919 Cc1cccc(c1COCCF)Cl 7a_100000082531_100011217306 [0,2,0,0,0,0|2,0,0]=4 22189 B13R1.8919 Cc1cccc(c1COCCO)Cl 34a_100000082531_100000211926 [0,2,0,0,0,0|2,0,0]=4 22190 B13R1.8919 Cc1cccc(c1COCCO)Cl 7a_100000082531_100000211926 [0,2,0,0,0,0|2,0,0]=4 22191 B13R1.8919 Cc1cccc(c1NCCCF)Cl 34a_100000756524_100011934791 [0,2,0,0,0,0|2,0,0]=4 22192 B13R1.8919 Cc1cccc(c1NCCCO)Cl 34a_100000756524_100000230001 [0,2,0,0,0,0|2,0,0]=4 22193 B13R1.8919 Cc1cccc(c1OCCC#N)Cl 7a_100000033731_100000184422 [0,2,0,0,0,0|2,0,0]=4 22194 B13R1.8919 Cc1cccc(c1OCCCF)Cl 34a_100000033731_100011934791 [0,2,0,0,0,0|2,0,0]=4 22195 B13R1.8919 Cc1cccc(c1OCCCF)Cl 7a_100000033731_100011934791 [0,2,0,0,0,0|2,0,0]=4 22196 B13R1.8919 Cc1cccc(c1OCCCO)Cl 34a_100000033731_100000230001 [0,2,0,0,0,0|2,0,0]=4 22197 B13R1.8919 Cc1cccc(c1OCCCO)Cl 7a_100000033731_100011215043 [0,2,0,0,0,0|2,0,0]=4 22198 B13R1.8919 Cc1cccc(c1OCCN[13CH3])C 2230a_100000740230_200025704644 [0,2,0,0,0,0|1,0,0]=3 22199 B13R1.8919 Cc1cccc(c1OCCN[13CH3])C 34a_100000740230_200025704644 [0,2,0,0,0,0|1,0,0]=3 22200 B13R1.8919 Cc1cccc(c1OCCN[13CH3])Cl 2230a_100015186626_200025704644 [0,2,0,0,0,0|0,0,0]=2 22201 B13R1.8919 Cc1cccc(c1OCCN[13CH3])Cl 34a_100015186626_200025704644 [0,2,0,0,0,0|0,0,0]=2 22202 B13R1.8919 Cc1cccc(c1OCCS[13CH3])C 62a_100000184555_200025704644 [0,2,0,0,0,0|2,0,0]=4 22203 B13R1.8919 Cc1cccc(c1OCCS[13CH3])C 62a_200025704644_100000184555 [0,2,0,0,0,0|2,0,0]=4 22204 B13R1.8919 Cc1cccc(c1SCCC#N)Cl 62a_100000043165_100011215226 [0,2,0,0,0,0|2,0,0]=4 22205 B13R1.8919 Cc1cccc(c1SCCC#N)Cl 62a_100011215226_100000043165 [0,2,0,0,0,0|2,0,0]=4 22206 B13R1.8919 Cc1cccc(c1SCCCF)Cl 62a_100000043165_100011934791 [0,2,0,0,0,0|2,0,0]=4 22207 B13R1.8919 Cc1cccc(c1SCCCF)Cl 62a_100011934791_100000043165 [0,2,0,0,0,0|2,0,0]=4 22208 B13R1.8919 Cc1cccc(c1SCCCO)Cl 62a_100000043165_100011215043 [0,2,0,0,0,0|2,0,0]=4 22209 B13R1.8919 Cc1cccc(c1SCCCO)Cl 62a_100011215043_100000043165 [0,2,0,0,0,0|2,0,0]=4 22210 B13R1.8919 Cc1cccc(c1SCCO[13CH3])C 34a_200000080753_200025704644 [0,2,0,0,0,0|2,0,0]=4 22211 B13R1.8919 Cc1cccc(c1SCCO[13CH3])C 7a_200000080753_200025704644 [0,2,0,0,0,0|2,0,0]=4 22212 B13R1.8919 Clc1cccc(c1COCCBr)Br 34a_100000211926_100010138402 [0,2,0,0,0,0|2,0,0]=4 22213 B13R1.8919 Clc1cccc(c1COCCBr)Cl 34a_100000211926_100000187851 [0,2,0,0,0,0|2,0,0]=4 22214 B13R1.8919 FCCCNc1c(cccc1Br)Cl 34a_100102946385_100011934791 [0,2,0,0,0,0|2,0,0]=4 22215 B13R1.8919 FCCCNc1c(cccc1Cl)Cl 34a_100000210028_100011934791 [0,2,0,0,0,0|2,0,0]=4 22216 B13R1.8919 FCCCNc1c(cccc1Cl)F 34a_100000760031_100011934791 [0,2,0,0,0,0|2,0,0]=4 22217 B13R1.8919 FCCCOc1c(cccc1Br)Cl 34a_100010214474_100011934791 [0,2,0,0,0,0|2,0,0]=4 22218 B13R1.8919 FCCCOc1c(cccc1Br)Cl 7a_100010214474_100011934791 [0,2,0,0,0,0|2,0,0]=4 22219 B13R1.8919 FCCCOc1c(cccc1Cl)Cl 34a_100000211709_100011934791 [0,2,0,0,0,0|2,0,0]=4 22220 B13R1.8919 FCCCOc1c(cccc1Cl)Cl 7a_100000211709_100011934791 [0,2,0,0,0,0|2,0,0]=4 22221 B13R1.8919 FCCCOc1c(cccc1Cl)F 34a_100000694953_100011934791 [0,2,0,0,0,0|2,0,0]=4 22222 B13R1.8919 FCCCOc1c(cccc1Cl)F 7a_100000694953_100011934791 [0,2,0,0,0,0|2,0,0]=4 22223 B13R1.8919 FCCCOc1c(cccc1I)Cl 34a_100010202889_100011934791 [0,2,0,0,0,0|2,0,0]=4 22224 B13R1.8919 FCCCOc1c(cccc1I)Cl 7a_100010202889_100011934791 [0,2,0,0,0,0|2,0,0]=4 22225 B13R1.8919 FCCCSc1c(cccc1Br)Cl 62a_100010214488_100011934791 [0,2,0,0,0,0|2,0,0]=4 22226 B13R1.8919 FCCCSc1c(cccc1Br)Cl 62a_100011934791_100010214488 [0,2,0,0,0,0|2,0,0]=4 22227 B13R1.8919 FCCCSc1c(cccc1Cl)Cl 62a_100000034237_100011934791 [0,2,0,0,0,0|2,0,0]=4 22228 B13R1.8919 FCCCSc1c(cccc1Cl)Cl 62a_100011934791_100000034237 [0,2,0,0,0,0|2,0,0]=4 22229 B13R1.8919 FCCCSc1c(cccc1Cl)F 62a_100000050007_100011934791 [0,2,0,0,0,0|2,0,0]=4 22230 B13R1.8919 FCCCSc1c(cccc1Cl)F 62a_100011934791_100000050007 [0,2,0,0,0,0|2,0,0]=4 22231 B13R1.8919 FCCNCc1c(cccc1Br)Cl 34a_100000724931_100010138402 [0,2,0,0,0,0|2,0,0]=4 22232 B13R1.8919 FCCNCc1c(cccc1Cl)Cl 2230a_100000174884_100011217306 [0,2,0,0,0,0|2,0,0]=4 22233 B13R1.8919 FCCNCc1c(cccc1Cl)Cl 34a_100000174884_100011217306 [0,2,0,0,0,0|2,0,0]=4 22234 B13R1.8919 FCCNCc1c(cccc1Cl)Cl 34a_100000724931_100000187851 [0,2,0,0,0,0|2,0,0]=4 22235 B13R1.8919 FCCNCc1c(cccc1Cl)F 34a_100000174883_100011217306 [0,2,0,0,0,0|2,0,0]=4 22236 B13R1.8919 FCCNCc1c(cccc1Cl)F 34a_100000724931_100000187852 [0,2,0,0,0,0|2,0,0]=4 22237 B13R1.8919 FCCOCc1c(cccc1Cl)Cl 34a_100000215722_100011217306 [0,2,0,0,0,0|2,0,0]=4 22238 B13R1.8919 FCCOCc1c(cccc1Cl)Cl 7a_100000215722_100011217306 [0,2,0,0,0,0|2,0,0]=4 22239 B13R1.8919 FCCOCc1c(cccc1Cl)F 34a_100000215723_100011217306 [0,2,0,0,0,0|2,0,0]=4 22240 B13R1.8919 FCCOCc1c(cccc1Cl)F 7a_100000215723_100011217306 [0,2,0,0,0,0|2,0,0]=4 22241 B13R1.8919 FCCSCc1c(cccc1Br)Cl 62a_100010138402_100011217306 [0,2,0,0,0,0|2,0,0]=4 22242 B13R1.8919 FCCSCc1c(cccc1Br)Cl 62a_100011217306_100010138402 [0,2,0,0,0,0|2,0,0]=4 22243 B13R1.8919 FCCSCc1c(cccc1Cl)Cl 62a_100000187851_100011217306 [0,2,0,0,0,0|2,0,0]=4 22244 B13R1.8919 FCCSCc1c(cccc1Cl)Cl 62a_100011217306_100000187851 [0,2,0,0,0,0|2,0,0]=4 22245 B13R1.8919 FCCSCc1c(cccc1Cl)F 62a_100000187852_100011217306 [0,2,0,0,0,0|2,0,0]=4 22246 B13R1.8919 FCCSCc1c(cccc1Cl)F 62a_100011217306_100000187852 [0,2,0,0,0,0|2,0,0]=4 22247 B13R1.8919 FCNCCc1c(cccc1Cl)Cl 34a_100032004868_100015361967 [0,2,0,0,0,0|0,0,0]=2 22248 B13R1.8919 FCNCCc1c(cccc1Cl)F 34a_100000688150_100015361967 [0,2,0,0,0,0|0,0,0]=2 22249 B13R1.8919 FCOCCc1c(cccc1Cl)Cl 34a_100011934077_100015361967 [0,2,0,0,0,0|1,0,0]=3 22250 B13R1.8919 FCOCCc1c(cccc1Cl)Cl 7a_100011934077_100015361967 [0,2,0,0,0,0|1,0,0]=3 22251 B13R1.8919 FCOCCc1c(cccc1Cl)F 34a_100011273940_100015361967 [0,2,0,0,0,0|1,0,0]=3 22252 B13R1.8919 FCOCCc1c(cccc1Cl)F 7a_100011273940_100015361967 [0,2,0,0,0,0|1,0,0]=3 22253 B13R1.8919 FCOCCc1c(cccc1F)F 34a_100011975733_100015361967 [0,2,0,0,0,0|1,1,0]=4 22254 B13R1.8919 FCOCCc1c(cccc1F)F 7a_100011975733_100015361967 [0,2,0,0,0,0|1,1,0]=4 22255 B13R1.8919 FCSCCc1c(cccc1Cl)Cl 62a_100012161200_100015361967 [0,2,0,0,0,0|1,0,0]=3 22256 B13R1.8919 FCSCCc1c(cccc1Cl)Cl 62a_100015361967_100012161200 [0,2,0,0,0,0|1,0,0]=3 22257 B13R1.8919 Fc1cccc(c1COCCBr)Cl 34a_100000211926_100000187852 [0,2,0,0,0,0|2,0,0]=4 22258 B13R1.8919 N#CCCOc1c(cccc1Br)Cl 7a_100010214474_100000184422 [0,2,0,0,0,0|2,0,0]=4 22259 B13R1.8919 N#CCCOc1c(cccc1Cl)Cl 7a_100000211709_100000184422 [0,2,0,0,0,0|2,0,0]=4 22260 B13R1.8919 N#CCCOc1c(cccc1Cl)F 7a_100000694953_100000184422 [0,2,0,0,0,0|2,0,0]=4 22261 B13R1.8919 N#CCCOc1c(cccc1I)Cl 7a_100010202889_100000184422 [0,2,0,0,0,0|2,0,0]=4 22262 B13R1.8919 N#CCCSc1c(cccc1Br)Cl 62a_100010214488_100011215226 [0,2,0,0,0,0|2,0,0]=4 22263 B13R1.8919 N#CCCSc1c(cccc1Br)Cl 62a_100011215226_100010214488 [0,2,0,0,0,0|2,0,0]=4 22264 B13R1.8919 N#CCCSc1c(cccc1Cl)Cl 62a_100000034237_100011215226 [0,2,0,0,0,0|2,0,0]=4 22265 B13R1.8919 N#CCCSc1c(cccc1Cl)Cl 62a_100011215226_100000034237 [0,2,0,0,0,0|2,0,0]=4 22266 B13R1.8919 N#CCCSc1c(cccc1Cl)F 62a_100000050007_100011215226 [0,2,0,0,0,0|2,0,0]=4 22267 B13R1.8919 N#CCCSc1c(cccc1Cl)F 62a_100011215226_100000050007 [0,2,0,0,0,0|2,0,0]=4 22268 B13R1.8919 N#CCCSc1c(cccc1Cl)N 62a_100000049713_100011215226 [0,2,0,0,0,0|2,0,0]=4 22269 B13R1.8919 N#CCCSc1c(cccc1Cl)N 62a_100011215226_100000049713 [0,2,0,0,0,0|2,0,0]=4 22270 B13R1.8919 N#CCCSc1c(cccc1Cl)O 62a_100011215226_100000050174 [0,2,0,0,0,0|2,0,0]=4 22271 B13R1.8919 N#CCNCc1c(cccc1Cl)Cl 2230a_100000174884_100011215382 [0,2,0,0,0,0|2,0,0]=4 22272 B13R1.8919 N#CCOCc1c(cccc1Cl)Cl 7a_100000215722_100011215382 [0,2,0,0,0,0|2,0,0]=4 22273 B13R1.8919 N#CCOCc1c(cccc1Cl)F 7a_100000215723_100011215382 [0,2,0,0,0,0|2,0,0]=4 22274 B13R1.8919 N#CCSCc1c(cccc1Br)Cl 62a_100010138402_100011215382 [0,2,0,0,0,0|2,0,0]=4 22275 B13R1.8919 N#CCSCc1c(cccc1Br)Cl 62a_100011215382_100010138402 [0,2,0,0,0,0|2,0,0]=4 22276 B13R1.8919 N#CCSCc1c(cccc1Cl)Cl 62a_100000187851_100011215382 [0,2,0,0,0,0|2,0,0]=4 22277 B13R1.8919 N#CCSCc1c(cccc1Cl)Cl 62a_100011215382_100000187851 [0,2,0,0,0,0|2,0,0]=4 22278 B13R1.8919 N#CCSCc1c(cccc1Cl)F 62a_100000187852_100011215382 [0,2,0,0,0,0|2,0,0]=4 22279 B13R1.8919 N#CCSCc1c(cccc1Cl)F 62a_100011215382_100000187852 [0,2,0,0,0,0|2,0,0]=4 22280 B13R1.8919 NCCOCc1c(cccc1Br)Cl 34a_100000210304_100010138402 [0,2,0,0,0,0|2,0,0]=4 22281 B13R1.8919 NCCOCc1c(cccc1Cl)Cl 34a_100000210304_100000187851 [0,2,0,0,0,0|2,0,0]=4 22282 B13R1.8919 NCCOCc1c(cccc1Cl)F 34a_100000210304_100000187852 [0,2,0,0,0,0|2,0,0]=4 22283 B13R1.8919 Nc1cccc(c1COCC=O)Cl 34a_100011916388_200009817547 [0,2,0,0,0,0|2,0,0]=4 22284 B13R1.8919 Nc1cccc(c1COCCF)Cl 34a_100011916388_100011217306 [0,2,0,0,0,0|2,0,0]=4 22285 B13R1.8919 Nc1cccc(c1COCCO)Cl 34a_100011916388_100000211926 [0,2,0,0,0,0|2,0,0]=4 22286 B13R1.8919 Nc1cccc(c1OCCCF)Cl 34a_100000754742_100011934791 [0,2,0,0,0,0|2,0,0]=4 22287 B13R1.8919 Nc1cccc(c1OCCCO)Cl 34a_100000754742_100000230001 [0,2,0,0,0,0|2,0,0]=4 22288 B13R1.8919 Nc1cccc(c1SCCCF)Cl 62a_100000049713_100011934791 [0,2,0,0,0,0|2,0,0]=4 22289 B13R1.8919 Nc1cccc(c1SCCCF)Cl 62a_100011934791_100000049713 [0,2,0,0,0,0|2,0,0]=4 22290 B13R1.8919 Nc1cccc(c1SCCCO)Cl 62a_100000049713_100011215043 [0,2,0,0,0,0|2,0,0]=4 22291 B13R1.8919 Nc1cccc(c1SCCCO)Cl 62a_100011215043_100000049713 [0,2,0,0,0,0|2,0,0]=4 22292 B13R1.8919 O=CCNCc1c(cccc1Cl)Cl 2230a_100000174884_200015260668 [0,2,0,0,0,0|2,0,0]=4 22293 B13R1.8919 O=CCNCc1c(cccc1Cl)Cl 34a_100000174884_200009817547 [0,2,0,0,0,0|2,0,0]=4 22294 B13R1.8919 O=CCNCc1c(cccc1Cl)F 34a_100000174883_200009817547 [0,2,0,0,0,0|2,0,0]=4 22295 B13R1.8919 O=CCOCc1c(cccc1Cl)Cl 34a_100000215722_200009817547 [0,2,0,0,0,0|2,0,0]=4 22296 B13R1.8919 O=CCOCc1c(cccc1Cl)Cl 7a_100000215722_200015260668 [0,2,0,0,0,0|2,0,0]=4 22297 B13R1.8919 O=CCOCc1c(cccc1Cl)F 34a_100000215723_200009817547 [0,2,0,0,0,0|2,0,0]=4 22298 B13R1.8919 O=CCOCc1c(cccc1Cl)F 7a_100000215723_200015260668 [0,2,0,0,0,0|2,0,0]=4 22299 B13R1.8919 O=CCSCc1c(cccc1Br)Cl 62a_100010138402_200015260668 [0,2,0,0,0,0|2,0,0]=4 22300 B13R1.8919 O=CCSCc1c(cccc1Br)Cl 62a_200015260668_100010138402 [0,2,0,0,0,0|2,0,0]=4 22301 B13R1.8919 O=CCSCc1c(cccc1Cl)Cl 62a_100000187851_200015260668 [0,2,0,0,0,0|2,0,0]=4 22302 B13R1.8919 O=CCSCc1c(cccc1Cl)Cl 62a_200015260668_100000187851 [0,2,0,0,0,0|2,0,0]=4 22303 B13R1.8919 O=CCSCc1c(cccc1Cl)F 62a_100000187852_200015260668 [0,2,0,0,0,0|2,0,0]=4 22304 B13R1.8919 O=CCSCc1c(cccc1Cl)F 62a_200015260668_100000187852 [0,2,0,0,0,0|2,0,0]=4 22305 B13R1.8919 OCCCNc1c(cccc1Br)Cl 34a_100102946385_100000230001 [0,2,0,0,0,0|2,0,0]=4 22306 B13R1.8919 OCCCNc1c(cccc1Cl)Cl 34a_100000210028_100000230001 [0,2,0,0,0,0|2,0,0]=4 22307 B13R1.8919 OCCCNc1c(cccc1Cl)F 34a_100000760031_100000230001 [0,2,0,0,0,0|2,0,0]=4 22308 B13R1.8919 OCCCNc1c(cccc1Cl)O 34a_100012022510_100000230001 [0,2,0,0,0,0|2,0,0]=4 22309 B13R1.8919 OCCCOc1c(cccc1Br)Cl 34a_100010214474_100000230001 [0,2,0,0,0,0|2,0,0]=4 22310 B13R1.8919 OCCCOc1c(cccc1Br)Cl 7a_100010214474_100011215043 [0,2,0,0,0,0|2,0,0]=4 22311 B13R1.8919 OCCCOc1c(cccc1Cl)Cl 34a_100000211709_100000230001 [0,2,0,0,0,0|2,0,0]=4 22312 B13R1.8919 OCCCOc1c(cccc1Cl)Cl 7a_100000211709_100011215043 [0,2,0,0,0,0|2,0,0]=4 22313 B13R1.8919 OCCCOc1c(cccc1Cl)F 34a_100000694953_100000230001 [0,2,0,0,0,0|2,0,0]=4 22314 B13R1.8919 OCCCOc1c(cccc1Cl)F 7a_100000694953_100011215043 [0,2,0,0,0,0|2,0,0]=4 22315 B13R1.8919 OCCCOc1c(cccc1I)Cl 34a_100010202889_100000230001 [0,2,0,0,0,0|2,0,0]=4 22316 B13R1.8919 OCCCOc1c(cccc1I)Cl 7a_100010202889_100011215043 [0,2,0,0,0,0|2,0,0]=4 22317 B13R1.8919 OCCCSc1c(cccc1Br)Cl 62a_100010214488_100011215043 [0,2,0,0,0,0|2,0,0]=4 22318 B13R1.8919 OCCCSc1c(cccc1Br)Cl 62a_100011215043_100010214488 [0,2,0,0,0,0|2,0,0]=4 22319 B13R1.8919 OCCCSc1c(cccc1Cl)Cl 62a_100000034237_100011215043 [0,2,0,0,0,0|2,0,0]=4 22320 B13R1.8919 OCCCSc1c(cccc1Cl)Cl 62a_100011215043_100000034237 [0,2,0,0,0,0|2,0,0]=4 22321 B13R1.8919 OCCCSc1c(cccc1Cl)F 62a_100000050007_100011215043 [0,2,0,0,0,0|2,0,0]=4 22322 B13R1.8919 OCCCSc1c(cccc1Cl)F 62a_100011215043_100000050007 [0,2,0,0,0,0|2,0,0]=4 22323 B13R1.8919 OCCCSc1c(cccc1Cl)O 62a_100011215043_100000050174 [0,2,0,0,0,0|2,0,0]=4 22324 B13R1.8919 OCCNCc1c(cccc1Br)Cl 207a_100000210304_100011249081 [0,2,0,0,0,0|2,0,0]=4 22325 B13R1.8919 OCCNCc1c(cccc1Br)Cl 2230a_100016997473_100010138402 [0,2,0,0,0,0|2,0,0]=4 22326 B13R1.8919 OCCNCc1c(cccc1Br)Cl 270004a_100000210304_100011249081 [0,2,0,0,0,0|2,0,0]=4 22327 B13R1.8919 OCCNCc1c(cccc1Br)Cl 34a_100016990907_100010138402 [0,2,0,0,0,0|2,0,0]=4 22328 B13R1.8919 OCCNCc1c(cccc1Cl)Cl 207a_100000210304_100000189306 [0,2,0,0,0,0|2,0,0]=4 22329 B13R1.8919 OCCNCc1c(cccc1Cl)Cl 2230a_100000174884_100000211926 [0,2,0,0,0,0|2,0,0]=4 22330 B13R1.8919 OCCNCc1c(cccc1Cl)Cl 2230a_100016997473_100000187851 [0,2,0,0,0,0|2,0,0]=4 22331 B13R1.8919 OCCNCc1c(cccc1Cl)Cl 270004a_100000210304_100000189306 [0,2,0,0,0,0|2,0,0]=4 22332 B13R1.8919 OCCNCc1c(cccc1Cl)Cl 34a_100000174884_100000211926 [0,2,0,0,0,0|2,0,0]=4 22333 B13R1.8919 OCCNCc1c(cccc1Cl)Cl 34a_100016990907_100000187851 [0,2,0,0,0,0|2,0,0]=4 22334 B13R1.8919 OCCNCc1c(cccc1Cl)F 207a_100000210304_100000210083 [0,2,0,0,0,0|2,0,0]=4 22335 B13R1.8919 OCCNCc1c(cccc1Cl)F 2230a_100016997473_100000187852 [0,2,0,0,0,0|2,0,0]=4 22336 B13R1.8919 OCCNCc1c(cccc1Cl)F 270004a_100000210304_100000210083 [0,2,0,0,0,0|2,0,0]=4 22337 B13R1.8919 OCCNCc1c(cccc1Cl)F 34a_100000174883_100000211926 [0,2,0,0,0,0|2,0,0]=4 22338 B13R1.8919 OCCNCc1c(cccc1Cl)F 34a_100016990907_100000187852 [0,2,0,0,0,0|2,0,0]=4 22339 B13R1.8919 OCCNCc1c(cccc1I)Cl 207a_100000210304_100010147682 [0,2,0,0,0,0|2,0,0]=4 22340 B13R1.8919 OCCNCc1c(cccc1I)Cl 270004a_100000210304_100010147682 [0,2,0,0,0,0|2,0,0]=4 22341 B13R1.8919 OCCOCc1c(cccc1Cl)Cl 34a_100000215722_100000211926 [0,2,0,0,0,0|2,0,0]=4 22342 B13R1.8919 OCCOCc1c(cccc1Cl)Cl 7a_100000215722_100000211926 [0,2,0,0,0,0|2,0,0]=4 22343 B13R1.8919 OCCOCc1c(cccc1Cl)F 34a_100000215723_100000211926 [0,2,0,0,0,0|2,0,0]=4 22344 B13R1.8919 OCCOCc1c(cccc1Cl)F 7a_100000215723_100000211926 [0,2,0,0,0,0|2,0,0]=4 22345 B13R1.8919 OCCSCc1c(cccc1Br)Cl 62a_100000211926_100010138402 [0,2,0,0,0,0|2,0,0]=4 22346 B13R1.8919 OCCSCc1c(cccc1Br)Cl 62a_100010138402_100000211926 [0,2,0,0,0,0|2,0,0]=4 22347 B13R1.8919 OCCSCc1c(cccc1Cl)Cl 62a_100000187851_100000211926 [0,2,0,0,0,0|2,0,0]=4 22348 B13R1.8919 OCCSCc1c(cccc1Cl)Cl 62a_100000211926_100000187851 [0,2,0,0,0,0|2,0,0]=4 22349 B13R1.8919 OCCSCc1c(cccc1Cl)F 62a_100000187852_100000211926 [0,2,0,0,0,0|2,0,0]=4 22350 B13R1.8919 OCCSCc1c(cccc1Cl)F 62a_100000211926_100000187852 [0,2,0,0,0,0|2,0,0]=4 22351 B13R1.8919 Oc1cccc(c1NCCCF)Cl 34a_100012022510_100011934791 [0,2,0,0,0,0|2,0,0]=4 22352 B13R1.8919 Oc1cccc(c1SCCCF)Cl 62a_100011934791_100000050174 [0,2,0,0,0,0|2,0,0]=4 22353 B13R1.8919 [13CH3]OCCCc1c(cccc1Br)F 34a_100021413403_200025704644 [0,2,0,0,0,0|1,1,0]=4 22354 B13R1.8919 [13CH3]OCCCc1c(cccc1Br)F 7a_100021413403_200025704644 [0,2,0,0,0,0|1,1,0]=4 22355 B13R1.8919 [13CH3]OCCOc1c(cccc1Cl)Cl 34a_200011235770_200025704644 [0,2,0,0,0,0|1,0,0]=3 22356 B13R1.8919 [13CH3]OCCOc1c(cccc1Cl)Cl 7a_200011235770_200025704644 [0,2,0,0,0,0|1,0,0]=3 22357 B13R1.8919 [13CH3]SCCOc1c(cccc1Cl)Cl 62a_100000184560_200025704644 [0,2,0,0,0,0|1,0,0]=3 22358 B13R1.8919 [13CH3]SCCOc1c(cccc1Cl)Cl 62a_200025704644_100000184560 [0,2,0,0,0,0|1,0,0]=3 22359 B13R1.173 CCCC(NC)c1ccccc1Cl 269862a_106832991636_100011400565 [0,2,0,0,0,0|1,0,0]=3 22360 B13R1.173 CCNC(CC)c1ccccc1Cl 269862a_100015525214_100011400563 [0,2,0,0,0,0|2,0,0]=4 22361 B13R1.173 CCNC(CO)c1ccccc1Cl 2230a_100138412506_100000210202 [0,2,0,0,0,0|2,0,0]=4 22362 B13R1.173 CCNC(CO)c1ccccc1Cl 34a_100138412506_100000210202 [0,2,0,0,0,0|2,0,0]=4 22363 B13R1.173 CCN[C@@H](CC)c1ccccc1Cl 2230a_200016987949_100000210202 [0,2,0,0,0,0|2,0,0]=4 22364 B13R1.173 CCN[C@@H](CC)c1ccccc1Cl 34a_200016987949_100000210202 [0,2,0,0,0,0|2,0,0]=4 22365 B13R1.173 CCOC(C#N)c1ccccc1Cl 7a_200011294979_100000210202 [0,2,0,0,0,0|2,0,0]=4 22366 B13R1.173 CCOC(CN)c1ccccc1Cl 34a_200000759403_100000210202 [0,2,0,0,0,0|2,0,0]=4 22367 B13R1.173 CNC(CCO)c1ccccc1Cl 2230a_100011661560_200000210301 [0,2,0,0,0,0|2,0,0]=4 22368 B13R1.173 CNC(CCO)c1ccccc1Cl 34a_100011661560_200000210301 [0,2,0,0,0,0|2,0,0]=4 22369 B13R1.173 [13CH3]NC(CCO)c1ccccc1Cl 2230a_100011661560_200025704644 [0,2,0,0,0,0|2,0,0]=4 22370 B13R1.173 [13CH3]NC(CCO)c1ccccc1Cl 34a_100011661560_200025704644 [0,2,0,0,0,0|2,0,0]=4 22371 B13R1.446 CCCC(=O)c1cc(ccc1Cl)Br 1458a_100000211212_100000210303 [0,2,0,0,0,0|1,0,1]=4 22372 B13R1.446 CCCC(=O)c1cc(ccc1Cl)C 1458a_100011290873_100000210303 [0,2,0,0,0,0|1,0,1]=4 22373 B13R1.446 CCCC(=O)c1cc(ccc1Cl)Cl 1458a_100000210642_100000210303 [0,2,0,0,0,0|1,0,1]=4 22374 B13R1.446 CCCC(=O)c1cc(ccc1Cl)F 1458a_100011219680_100000210303 [0,2,0,0,0,0|1,0,1]=4 22375 B13R1.446 CCCC(=O)c1cc(ccc1Cl)I 1458a_100000688013_100000210303 [0,2,0,0,0,0|1,0,1]=4 22376 B13R1.446 CCCC(=O)c1cc(ccc1Cl)O 1458a_100000719527_100000210303 [0,2,0,0,0,0|1,0,1]=4 22377 B13R1.446 CCCN(C)c1cc(ccc1Cl)Br 269982a_100011772073_100000210303 [0,2,0,0,0,0|2,0,0]=4 22378 B13R1.446 CCCN(C)c1cc(ccc1Cl)Br 34a_100011772073_100000210303 [0,2,0,0,0,0|2,0,0]=4 22379 B13R1.446 CCCN(C)c1cc(ccc1Cl)Cl 269982a_100000742562_100000210303 [0,2,0,0,0,0|2,0,0]=4 22380 B13R1.446 CCCN(C)c1cc(ccc1Cl)Cl 34a_100000742562_100000210303 [0,2,0,0,0,0|2,0,0]=4 22381 B13R1.446 CCNC(C)c1cc(ccc1Cl)Br 269862a_100015525214_100011934286 [0,2,0,0,0,0|2,0,0]=4 22382 B13R1.446 CCNC(C)c1cc(ccc1Cl)Cl 2230a_100000737532_100000210202 [0,2,0,0,0,0|2,0,0]=4 22383 B13R1.446 CCNC(C)c1cc(ccc1Cl)Cl 269862a_100015525214_100000184594 [0,2,0,0,0,0|2,0,0]=4 22384 B13R1.446 CCNC(C)c1cc(ccc1Cl)Cl 34a_100000737532_100000210202 [0,2,0,0,0,0|2,0,0]=4 22385 B13R1.446 CCNC(C)c1cc(ccc1Cl)F 269862a_100015525214_100011218795 [0,2,0,0,0,0|2,0,0]=4 22386 B13R1.446 CCNC(C)c1cc(ccc1Cl)I 269862a_100015525214_100010712560 [0,2,0,0,0,0|2,0,0]=4 22387 B13R1.446 CCOC(C)c1cc(ccc1Cl)Cl 34a_100000742519_100000210202 [0,2,0,0,0,0|2,0,0]=4 22388 B13R1.446 CCOC(C)c1cc(ccc1Cl)Cl 7a_100000742519_100000210202 [0,2,0,0,0,0|2,0,0]=4 22389 B13R1.446 CNCC(=O)c1cc(ccc1Br)Cl 2230a_106832991635_100012361344 [0,2,0,0,0,0|0,1,1]=4 22390 B13R1.446 CNCC(=O)c1cc(ccc1Br)Cl 34a_100102657272_100012361344 [0,2,0,0,0,0|0,1,1]=4 22391 B13R1.446 CNCC(=O)c1cc(ccc1C)C 2230a_106832991635_100000183774 [0,2,0,0,0,0|1,0,1]=4 22392 B13R1.446 CNCC(=O)c1cc(ccc1C)C 34a_100102657272_100000183774 [0,2,0,0,0,0|1,0,1]=4 22393 B13R1.446 CNCC(=O)c1cc(ccc1C)C 7a_106832991635_100000183774 [0,2,0,0,0,0|1,0,1]=4 22394 B13R1.446 CNCC(=O)c1cc(ccc1Cl)Cl 2230a_106832991635_100000183120 [0,2,0,0,0,0|0,0,1]=3 22395 B13R1.446 CNCC(=O)c1cc(ccc1Cl)F 34a_100102657272_200010187420 [0,2,0,0,0,0|0,0,1]=3 22396 B13R1.446 CNCC(=O)c1cc(ccc1F)F 34a_100102657272_100000211571 [0,2,0,0,0,0|0,1,1]=4 22397 B13R1.446 CNCC(=O)c1cc(ccc1F)F 7a_106832991635_100000211571 [0,2,0,0,0,0|0,1,1]=4 22398 B13R1.446 CNCC(=O)c1cc(ccc1O)Br 34a_100102657272_200009828000 [0,2,0,0,0,0|1,0,1]=4 22399 B13R1.446 CNCC(=O)c1cc(ccc1O)Br 7a_106832991635_200009828000 [0,2,0,0,0,0|1,0,1]=4 22400 B13R1.446 CNCC(=O)c1cc(ccc1O)F 34a_100102657272_100009814381 [0,2,0,0,0,0|1,0,1]=4 22401 B13R1.446 CNCC(=O)c1cc(ccc1O)F 7a_106832991635_100000047744 [0,2,0,0,0,0|1,0,1]=4 22402 B13R1.446 CNCC(=O)c1cc(ccc1O)O 34a_100102657272_100009814097 [0,2,0,0,0,0|1,0,1]=4 22403 B13R1.446 CNCC(=O)c1cc(ccc1O)O 7a_106832991635_100009814097 [0,2,0,0,0,0|1,0,1]=4 22404 B13R1.446 CNNC(=O)c1cc(ccc1Cl)Br 22a_100016993582_100000211212 [0,2,0,0,0,0|1,0,1]=4 22405 B13R1.446 CNNC(=O)c1cc(ccc1Cl)C 22a_100016993582_100011290873 [0,2,0,0,0,0|1,0,1]=4 22406 B13R1.446 CNNC(=O)c1cc(ccc1Cl)Cl 22a_100016993582_100000210642 [0,2,0,0,0,0|1,0,1]=4 22407 B13R1.446 CNNC(=O)c1cc(ccc1Cl)F 22a_100016993582_100011219680 [0,2,0,0,0,0|1,0,1]=4 22408 B13R1.446 CNNC(=O)c1cc(ccc1Cl)I 22a_100016993582_100000688013 [0,2,0,0,0,0|1,0,1]=4 22409 B13R1.446 CNNC(=O)c1cc(ccc1Cl)O 22a_100016993582_100000719527 [0,2,0,0,0,0|1,0,1]=4 22410 B13R1.446 COCC(=O)c1cc(ccc1Cl)F 34a_100138415774_200010187420 [0,2,0,0,0,0|1,0,1]=4 22411 B13R1.446 COCN(C)c1cc(ccc1Cl)Br 269982a_100011772073_100000766300 [0,2,0,0,0,0|2,0,0]=4 22412 B13R1.446 COCN(C)c1cc(ccc1Cl)Cl 269982a_100000742562_100000766300 [0,2,0,0,0,0|2,0,0]=4 22413 B13R1.446 COC[C@@H](N)c1cc(ccc1F)Br 34a_100010142275_200000210301 [0,2,0,0,0,0|1,1,0]=4 22414 B13R1.446 CSCC(=O)c1cc(ccc1Cl)Cl 62a_100000183120_200000210301 [0,2,0,0,0,0|1,0,1]=4 22415 B13R1.446 CSCC(=O)c1cc(ccc1Cl)F 62a_200000210301_200010187420 [0,2,0,0,0,0|1,0,1]=4 22416 B13R1.446 CSCC(=O)c1cc(ccc1Cl)F 62a_200010187420_200000210301 [0,2,0,0,0,0|1,0,1]=4 22417 B13R1.446 CSCN(C)c1cc(ccc1Cl)Br 269982a_100011772073_100011218213 [0,2,0,0,0,0|2,0,0]=4 22418 B13R1.446 CSCN(C)c1cc(ccc1Cl)Br 34a_100011772073_100011218213 [0,2,0,0,0,0|2,0,0]=4 22419 B13R1.446 CSCN(C)c1cc(ccc1Cl)Cl 269982a_100000742562_100011218213 [0,2,0,0,0,0|2,0,0]=4 22420 B13R1.446 CSCN(C)c1cc(ccc1Cl)Cl 34a_100000742562_100011218213 [0,2,0,0,0,0|2,0,0]=4 22421 B13R1.446 [13CH3]OC[C@@H](N)c1cc(ccc1F)Br 34a_100010142275_200025704644 [0,2,0,0,0,0|1,1,0]=4 22422 B13R1.446 [13CH3]SCC(=O)c1cc(ccc1Cl)Cl 62a_100000183120_200025704644 [0,2,0,0,0,0|1,0,1]=4 22423 B13R1.446 [13CH3]SCC(=O)c1cc(ccc1Cl)F 62a_200010187420_200025704644 [0,2,0,0,0,0|1,0,1]=4 22424 B13R1.446 [13CH3]SCC(=O)c1cc(ccc1Cl)F 62a_200025704644_200010187420 [0,2,0,0,0,0|1,0,1]=4 22425 B13R1.696 CC(S[13CH3])C(=O)c1ccccc1Cl 62a_100010255250_200025704644 [0,2,0,0,0,0|1,0,1]=4 22426 B13R1.696 CC(S[13CH3])C(=O)c1ccccc1Cl 62a_200025704644_100010255250 [0,2,0,0,0,0|1,0,1]=4 22427 B13R1.696 CCC(=O)C(C)c1ccccc1Cl 1458a_100000210414_100000181259 [0,2,0,0,0,0|1,0,1]=4 22428 B13R1.696 CCC(=O)C(C)c1ccccc1Cl 1458a_100011667492_100000210202 [0,2,0,0,0,0|1,0,1]=4 22429 B13R1.696 CCC(=O)C(O)c1ccccc1Cl 1458a_100011217820_100000210202 [0,2,0,0,0,0|1,0,1]=4 22430 B13R1.696 CCC(C)C(=O)c1ccccc1Cl 1458a_100000185844_100000758301 [0,2,0,0,0,0|1,0,1]=4 22431 B13R1.696 CCC(C)N(C)c1ccccc1Cl 2230a_100000219374_100000758301 [0,2,0,0,0,0|2,0,0]=4 22432 B13R1.696 CCC(C)N(C)c1ccccc1Cl 269982a_100000219374_100000758301 [0,2,0,0,0,0|2,0,0]=4 22433 B13R1.696 CCC(C)N(C)c1ccccc1Cl 34a_100000219374_100011215416 [0,2,0,0,0,0|2,0,0]=4 22434 B13R1.696 CCN(C)C(C)c1ccccc1Cl 2230a_100000225621_100000181259 [0,2,0,0,0,0|2,0,0]=4 22435 B13R1.696 CCN(C)C(C)c1ccccc1Cl 269982a_100000225621_100000181259 [0,2,0,0,0,0|2,0,0]=4 22436 B13R1.696 CNC(=O)C(C)c1ccccc1Br 11a_106832991635_100012359601 [0,2,0,0,0,0|0,1,1]=4 22437 B13R1.696 CNC(=O)C(C)c1ccccc1Br 1626a_100102657272_100012359601 [0,2,0,0,0,0|0,1,1]=4 22438 B13R1.696 CNC(=O)C(C)c1ccccc1Br 240690a_100102657272_100012359601 [0,2,0,0,0,0|0,1,1]=4 22439 B13R1.696 CNC(=O)C(C)c1ccccc1Br 527a_100102657272_100012359601 [0,2,0,0,0,0|0,1,1]=4 22440 B13R1.696 CNC(=O)C(C)c1ccccc1Cl 11a_106832991635_100011667492 [0,2,0,0,0,0|0,0,1]=3 22441 B13R1.696 CNC(=O)C(C)c1ccccc1Cl 1626a_100102657272_100011667492 [0,2,0,0,0,0|0,0,1]=3 22442 B13R1.696 CNC(=O)C(C)c1ccccc1Cl 240690a_100102657272_100011667492 [0,2,0,0,0,0|0,0,1]=3 22443 B13R1.696 CNC(=O)C(C)c1ccccc1Cl 527a_100102657272_100011667492 [0,2,0,0,0,0|0,0,1]=3 22444 B13R1.696 CNC(=O)C(O)c1ccccc1Br 240690a_100102657272_200011356456 [0,2,0,0,0,0|0,1,1]=4 22445 B13R1.696 CNC(=O)C(O)c1ccccc1Cl 240690a_100102657272_100011217820 [0,2,0,0,0,0|0,0,1]=3 22446 B13R1.696 CNC(=O)C(O)c1ccccc1F 240690a_100102657272_100011219519 [0,2,0,0,0,0|0,1,1]=4 22447 B13R1.696 CNC(=O)N(C)c1ccccc1Cl 512a_106832991638_100000219374 [0,2,0,0,0,0|1,0,1]=4 22448 B13R1.696 CNC(C)C(=O)c1ccccc1Cl 2230a_106832991635_100010255250 [0,2,0,0,0,0|0,0,1]=3 22449 B13R1.696 CNC(C)C(=O)c1ccccc1Cl 7a_106832991635_100010255250 [0,2,0,0,0,0|0,0,1]=3 22450 B13R1.696 COC(C)N(C)c1ccccc1Cl 269982a_100000219374_100009879195 [0,2,0,0,0,0|2,0,0]=4 22451 B13R1.696 CSC(C)C(=O)c1ccccc1Cl 62a_100010255250_200000210301 [0,2,0,0,0,0|1,0,1]=4 22452 B13R1.696 CSC(C)C(=O)c1ccccc1Cl 62a_200000210301_100010255250 [0,2,0,0,0,0|1,0,1]=4 22453 B13R1.2819 CC(C)(CN[13CH3])c1ccccc1F 2230a_100000748766_200025704644 [0,2,0,0,0,0|0,1,0]=3 22454 B13R1.2819 CC(C)(CN[13CH3])c1ccccc1F 34a_100000748766_200025704644 [0,2,0,0,0,0|0,1,0]=3 22455 B13R1.2819 CCNC(C)(C)c1ccccc1Cl 2230a_100020606166_100000210202 [0,2,0,0,0,0|2,0,0]=4 22456 B13R1.2819 CCNC(C)(C)c1ccccc1Cl 34a_100020606166_100000210202 [0,2,0,0,0,0|2,0,0]=4 22457 B13R1.2819 CCOC(C)(C)c1ccccc1Cl 34a_100000690508_100000210202 [0,2,0,0,0,0|2,0,0]=4 22458 B13R1.2819 CCOC(C)(C)c1ccccc1Cl 7a_100000690508_100000210202 [0,2,0,0,0,0|2,0,0]=4 22459 B13R1.2819 CNCC(C)(C)c1ccccc1F 2230a_100000748766_200000210301 [0,2,0,0,0,0|0,1,0]=3 22460 B13R1.2819 CNCC(C)(C)c1ccccc1F 34a_100000748766_200000210301 [0,2,0,0,0,0|0,1,0]=3 22461 B13R1.4453 CCCC(=O)c1c(cccc1Br)Cl 1458a_100011253703_100000210303 [0,2,0,0,0,0|1,0,1]=4 22462 B13R1.4453 CCCC(=O)c1c(cccc1Cl)C 1458a_100000692601_100000210303 [0,2,0,0,0,0|1,0,1]=4 22463 B13R1.4453 CCCC(=O)c1c(cccc1Cl)Cl 1458a_100000210656_100000210303 [0,2,0,0,0,0|1,0,1]=4 22464 B13R1.4453 CCCC(=O)c1c(cccc1Cl)F 1458a_100000210369_100000210303 [0,2,0,0,0,0|1,0,1]=4 22465 B13R1.4453 CCCC(=O)c1c(cccc1Cl)O 1458a_100000745519_100000210303 [0,2,0,0,0,0|1,0,1]=4 22466 B13R1.4453 CCCC(=O)c1c(cccc1I)Cl 1458a_100000702859_100000210303 [0,2,0,0,0,0|1,0,1]=4 22467 B13R1.4453 CCCN(C)c1c(cccc1Cl)Cl 269982a_100000691019_100000210303 [0,2,0,0,0,0|2,0,0]=4 22468 B13R1.4453 CCCN(C)c1c(cccc1Cl)Cl 34a_100000691019_100000210303 [0,2,0,0,0,0|2,0,0]=4 22469 B13R1.4453 CCN[C@H](C)c1c(cccc1Cl)Cl 2230a_100016989663_100000210202 [0,2,0,0,0,0|2,0,0]=4 22470 B13R1.4453 CCN[C@H](C)c1c(cccc1Cl)Cl 34a_100016989663_100000210202 [0,2,0,0,0,0|2,0,0]=4 22471 B13R1.4453 CCN[C@H](C)c1c(cccc1Cl)F 2230a_100011997870_100000210202 [0,2,0,0,0,0|2,0,0]=4 22472 B13R1.4453 CCN[C@H](C)c1c(cccc1Cl)F 34a_100011997870_100000210202 [0,2,0,0,0,0|2,0,0]=4 22473 B13R1.4453 CCOC(C)c1c(cccc1Cl)Cl 34a_100011215154_100000210202 [0,2,0,0,0,0|2,0,0]=4 22474 B13R1.4453 CCOC(C)c1c(cccc1Cl)Cl 7a_100011215154_100000210202 [0,2,0,0,0,0|2,0,0]=4 22475 B13R1.4453 CCO[C@H](C)c1c(cccc1Cl)F 34a_200012136785_100000210202 [0,2,0,0,0,0|2,0,0]=4 22476 B13R1.4453 CCO[C@H](C)c1c(cccc1Cl)F 7a_200012136785_100000210202 [0,2,0,0,0,0|2,0,0]=4 22477 B13R1.4453 CNCC(=O)c1c(cccc1Cl)Cl 2230a_106832991635_100012340516 [0,2,0,0,0,0|0,0,1]=3 22478 B13R1.4453 CNCC(=O)c1c(cccc1Cl)Cl 34a_100102657272_100012340516 [0,2,0,0,0,0|0,0,1]=3 22479 B13R1.4453 CNCC(=O)c1c(cccc1Cl)F 2230a_106832991635_100011219195 [0,2,0,0,0,0|0,0,1]=3 22480 B13R1.4453 CNCC(=O)c1c(cccc1Cl)F 34a_100102657272_100011219195 [0,2,0,0,0,0|0,0,1]=3 22481 B13R1.4453 CNCC(=O)c1c(cccc1F)F 34a_100102657272_100000199083 [0,2,0,0,0,0|0,1,1]=4 22482 B13R1.4453 CNNC(=O)c1c(cccc1Br)Cl 22a_100016993582_100011253703 [0,2,0,0,0,0|1,0,1]=4 22483 B13R1.4453 CNNC(=O)c1c(cccc1Cl)C 22a_100016993582_100000692601 [0,2,0,0,0,0|1,0,1]=4 22484 B13R1.4453 CNNC(=O)c1c(cccc1Cl)Cl 22a_100016993582_100000210656 [0,2,0,0,0,0|1,0,1]=4 22485 B13R1.4453 CNNC(=O)c1c(cccc1Cl)F 22a_100016993582_100000210369 [0,2,0,0,0,0|1,0,1]=4 22486 B13R1.4453 CNNC(=O)c1c(cccc1Cl)O 22a_100016993582_100000745519 [0,2,0,0,0,0|1,0,1]=4 22487 B13R1.4453 CNNC(=O)c1c(cccc1I)Cl 22a_100016993582_100000702859 [0,2,0,0,0,0|1,0,1]=4 22488 B13R1.4453 COCC(=O)c1c(cccc1Cl)Cl 34a_100138415774_100012340516 [0,2,0,0,0,0|1,0,1]=4 22489 B13R1.4453 COCC(=O)c1c(cccc1Cl)F 34a_100138415774_100011219195 [0,2,0,0,0,0|1,0,1]=4 22490 B13R1.4453 COCN(C)c1c(cccc1Cl)Cl 269982a_100000691019_100000766300 [0,2,0,0,0,0|2,0,0]=4 22491 B13R1.4453 CSCC(=O)c1c(cccc1Cl)Cl 62a_100012340516_200000210301 [0,2,0,0,0,0|1,0,1]=4 22492 B13R1.4453 CSCC(=O)c1c(cccc1Cl)F 62a_100011219195_200000210301 [0,2,0,0,0,0|1,0,1]=4 22493 B13R1.4453 CSCC(=O)c1c(cccc1Cl)F 62a_200000210301_100011219195 [0,2,0,0,0,0|1,0,1]=4 22494 B13R1.4453 CSCN(C)c1c(cccc1Cl)Cl 269982a_100000691019_100011218213 [0,2,0,0,0,0|2,0,0]=4 22495 B13R1.4453 CSCN(C)c1c(cccc1Cl)Cl 34a_100000691019_100011218213 [0,2,0,0,0,0|2,0,0]=4 22496 B13R1.4453 [13CH3]SCC(=O)c1c(cccc1Cl)Cl 62a_100012340516_200025704644 [0,2,0,0,0,0|1,0,1]=4 22497 B13R1.4453 [13CH3]SCC(=O)c1c(cccc1Cl)F 62a_100011219195_200025704644 [0,2,0,0,0,0|1,0,1]=4 22498 B13R1.4453 [13CH3]SCC(=O)c1c(cccc1Cl)F 62a_200025704644_100011219195 [0,2,0,0,0,0|1,0,1]=4 22499 B13R1.275 CC(C)(Cc1ccccc1Br)N[13CH3] 2230a_100161000475_200025704644 [0,2,0,0,0,0|0,1,0]=3 22500 B13R1.275 CC(C)(Cc1ccccc1Cl)O[13CH3] 7a_100000751322_200025704644 [0,2,0,0,0,0|1,0,0]=3 22501 B13R1.275 CC(C)(Cc1ccccc1F)O[13CH3] 34a_100011350413_200025704644 [0,2,0,0,0,0|1,1,0]=4 22502 B13R1.275 CC(C)(Cc1ccccc1F)O[13CH3] 7a_100011350413_200025704644 [0,2,0,0,0,0|1,1,0]=4 22503 B13R1.275 CCC(C)(C)Oc1ccccc1Cl 7a_100000210172_100000210677 [0,2,0,0,0,0|2,0,0]=4 22504 B13R1.275 CCC(C)(C)Sc1ccccc1Cl 62a_100000032637_100000764095 [0,2,0,0,0,0|2,0,0]=4 22505 B13R1.275 CCC(C)(C)Sc1ccccc1Cl 62a_100000764095_100000032637 [0,2,0,0,0,0|2,0,0]=4 22506 B13R1.275 CNC(C)(C)Cc1ccccc1Br 2230a_100161000475_200000210301 [0,2,0,0,0,0|0,1,0]=3 22507 B13R1.275 CNC(F)(F)Oc1cccnc1Cl 7a_106832991635_106358860876 [0,2,0,0,0,0|2,0,0]=4 22508 B13R1.275 CNS(=O)(=O)Cc1ccccc1Br 270084a_100102657272_100000765529 [0,2,0,0,0,0|1,1,0]=4 22509 B13R1.275 CNS(=O)(=O)Cc1ccccc1Br 274078a_100102657272_100000765529 [0,2,0,0,0,0|1,1,0]=4 22510 B13R1.275 CNS(=O)(=O)Cc1ccccc1C 270084a_100102657272_100000750338 [0,2,0,0,0,0|2,0,0]=4 22511 B13R1.275 CNS(=O)(=O)Cc1ccccc1C 274078a_100102657272_100000750338 [0,2,0,0,0,0|2,0,0]=4 22512 B13R1.275 CNS(=O)(=O)Cc1ccccc1Cl 270084a_100102657272_100000750118 [0,2,0,0,0,0|1,0,0]=3 22513 B13R1.275 CNS(=O)(=O)Cc1ccccc1Cl 274078a_100102657272_100000750118 [0,2,0,0,0,0|1,0,0]=3 22514 B13R1.275 CNS(=O)(=O)Cc1ccccc1F 270084a_100102657272_100000739656 [0,2,0,0,0,0|1,1,0]=4 22515 B13R1.275 CNS(=O)(=O)Cc1ccccc1F 274078a_100102657272_100000739656 [0,2,0,0,0,0|1,1,0]=4 22516 B13R1.275 COC(C)(C)Cc1ccccc1Cl 7a_100000751322_200000210301 [0,2,0,0,0,0|1,0,0]=3 22517 B13R1.275 COC(C)(C)Cc1ccccc1F 34a_100011350413_200000210301 [0,2,0,0,0,0|1,1,0]=4 22518 B13R1.275 COC(C)(C)Cc1ccccc1F 7a_100011350413_200000210301 [0,2,0,0,0,0|1,1,0]=4 22519 B13R1.335 CCC(CC)Oc1ccccc1Cl 7a_100000210172_100000210505 [0,2,0,0,0,0|2,0,0]=4 22520 B13R1.335 CCC(CC)Sc1ccccc1Cl 62a_100000210505_100000764095 [0,2,0,0,0,0|2,0,0]=4 22521 B13R1.335 CCC(CC)Sc1ccccc1Cl 62a_100000764095_100000210505 [0,2,0,0,0,0|2,0,0]=4 22522 B13R1.335 CCN(CC)Cc1ccccc1Cl 2230a_100000201176_100000210202 [0,2,0,0,0,0|2,0,0]=4 22523 B13R1.335 CCN(CC)Cc1ccccc1Cl 2230a_100000724800_100000187162 [0,2,0,0,0,0|2,0,0]=4 22524 B13R1.335 CCN(CC)Cc1ccccc1Cl 269956a_100000042499_100000187162 [0,2,0,0,0,0|2,0,0]=4 22525 B13R1.335 CCN(CC)Cc1ccccc1Cl 269982a_100000201176_100000204670 [0,2,0,0,0,0|2,0,0]=4 22526 B13R1.335 CCN(CC)Cc1ccccc1Cl 269982a_100000724800_100000187162 [0,2,0,0,0,0|2,0,0]=4 22527 B13R1.335 CCN(CC)Cc1ccccc1Cl 270004a_100000724800_100000210073 [0,2,0,0,0,0|2,0,0]=4 22528 B13R1.335 CCN(CF)Cc1ccccc1Cl 269982a_100000201176_100015361967 [0,2,0,0,0,0|2,0,0]=4 22529 B13R1.335 CNC(CO)Cc1ccccc1Cl 2230a_100012001541_200000210301 [0,2,0,0,0,0|0,0,0]=2 22530 B13R1.335 CNC(CO)Cc1ccccc1Cl 34a_100012001541_200000210301 [0,2,0,0,0,0|0,0,0]=2 22531 B13R1.335 [13CH3]NC(CO)Cc1ccccc1Cl 2230a_100012001541_200025704644 [0,2,0,0,0,0|0,0,0]=2 22532 B13R1.335 [13CH3]NC(CO)Cc1ccccc1Cl 34a_100012001541_200025704644 [0,2,0,0,0,0|0,0,0]=2 22533 B13R1.2872 CCC(=O)Cc1cc(ccc1Cl)Br 1458a_100000210414_100000763347 [0,2,0,0,0,0|1,0,1]=4 22534 B13R1.2872 CCC(=O)Cc1cc(ccc1Cl)Br 1458a_100011600618_100000210202 [0,2,0,0,0,0|1,0,1]=4 22535 B13R1.2872 CCC(=O)Cc1cc(ccc1Cl)C 1458a_100000210414_100009871730 [0,2,0,0,0,0|1,0,1]=4 22536 B13R1.2872 CCC(=O)Cc1cc(ccc1Cl)Cl 1458a_100000210414_100000754809 [0,2,0,0,0,0|1,0,1]=4 22537 B13R1.2872 CCC(=O)Cc1cc(ccc1Cl)Cl 1458a_100000748246_100000210202 [0,2,0,0,0,0|1,0,1]=4 22538 B13R1.2872 CCC(=O)Cc1cc(ccc1Cl)F 1458a_100000210414_100000709952 [0,2,0,0,0,0|1,0,1]=4 22539 B13R1.2872 CCC(=O)Cc1cc(ccc1Cl)F 1458a_100011830335_100000210202 [0,2,0,0,0,0|1,0,1]=4 22540 B13R1.2872 CCC(=O)Cc1cc(ccc1Cl)I 1458a_100000210414_100010188191 [0,2,0,0,0,0|1,0,1]=4 22541 B13R1.2872 CCC(C)Nc1cc(ccc1Cl)Br 34a_100000750497_100011215416 [0,2,0,0,0,0|2,0,0]=4 22542 B13R1.2872 CCC(C)Nc1cc(ccc1Cl)C 34a_100011215360_100011215416 [0,2,0,0,0,0|2,0,0]=4 22543 B13R1.2872 CCC(C)Nc1cc(ccc1Cl)Cl 34a_100000184485_100011215416 [0,2,0,0,0,0|2,0,0]=4 22544 B13R1.2872 CCC(C)Nc1cc(ccc1Cl)F 34a_100000751338_100011215416 [0,2,0,0,0,0|2,0,0]=4 22545 B13R1.2872 CCC(C)Nc1cc(ccc1Cl)I 34a_200000761891_100011215416 [0,2,0,0,0,0|2,0,0]=4 22546 B13R1.2872 CCC(C)Nc1cc(ccc1Cl)O 34a_100011934297_100011215416 [0,2,0,0,0,0|2,0,0]=4 22547 B13R1.2872 CCC(C)Oc1cc(ccc1Cl)Br 34a_100000738945_100011215416 [0,2,0,0,0,0|2,0,0]=4 22548 B13R1.2872 CCC(C)Oc1cc(ccc1Cl)Br 7a_100000738945_100000758301 [0,2,0,0,0,0|2,0,0]=4 22549 B13R1.2872 CCC(C)Oc1cc(ccc1Cl)C 34a_100000211493_100011215416 [0,2,0,0,0,0|2,0,0]=4 22550 B13R1.2872 CCC(C)Oc1cc(ccc1Cl)C 7a_100000211493_100000758301 [0,2,0,0,0,0|2,0,0]=4 22551 B13R1.2872 CCC(C)Oc1cc(ccc1Cl)Cl 34a_100000211422_100011215416 [0,2,0,0,0,0|2,0,0]=4 22552 B13R1.2872 CCC(C)Oc1cc(ccc1Cl)Cl 7a_100000211422_100000758301 [0,2,0,0,0,0|2,0,0]=4 22553 B13R1.2872 CCC(C)Oc1cc(ccc1Cl)F 34a_100000692107_100011215416 [0,2,0,0,0,0|2,0,0]=4 22554 B13R1.2872 CCC(C)Oc1cc(ccc1Cl)F 7a_100000692107_100000758301 [0,2,0,0,0,0|2,0,0]=4 22555 B13R1.2872 CCC(C)Oc1cc(ccc1Cl)I 34a_100011356854_100011215416 [0,2,0,0,0,0|2,0,0]=4 22556 B13R1.2872 CCC(C)Oc1cc(ccc1Cl)I 7a_100011356854_100000758301 [0,2,0,0,0,0|2,0,0]=4 22557 B13R1.2872 CCC(C)Oc1cc(ccc1Cl)N 34a_100011934209_100011215416 [0,2,0,0,0,0|2,0,0]=4 22558 B13R1.2872 CCC(C)Sc1cc(ccc1Cl)Br 62a_100000758301_100011772130 [0,2,0,0,0,0|2,0,0]=4 22559 B13R1.2872 CCC(C)Sc1cc(ccc1Cl)Br 62a_100011772130_100000758301 [0,2,0,0,0,0|2,0,0]=4 22560 B13R1.2872 CCC(C)Sc1cc(ccc1Cl)C 62a_100000758301_100012356289 [0,2,0,0,0,0|2,0,0]=4 22561 B13R1.2872 CCC(C)Sc1cc(ccc1Cl)C 62a_100012356289_100000758301 [0,2,0,0,0,0|2,0,0]=4 22562 B13R1.2872 CCC(C)Sc1cc(ccc1Cl)Cl 62a_100000707729_100000758301 [0,2,0,0,0,0|2,0,0]=4 22563 B13R1.2872 CCC(C)Sc1cc(ccc1Cl)Cl 62a_100000758301_100000707729 [0,2,0,0,0,0|2,0,0]=4 22564 B13R1.2872 CCC(C)Sc1cc(ccc1Cl)F 62a_100000758301_100011217299 [0,2,0,0,0,0|2,0,0]=4 22565 B13R1.2872 CCC(C)Sc1cc(ccc1Cl)F 62a_100011217299_100000758301 [0,2,0,0,0,0|2,0,0]=4 22566 B13R1.2872 CCC(C)Sc1cc(ccc1Cl)N 62a_100000758301_100012360549 [0,2,0,0,0,0|2,0,0]=4 22567 B13R1.2872 CCC(C)Sc1cc(ccc1Cl)N 62a_100012360549_100000758301 [0,2,0,0,0,0|2,0,0]=4 22568 B13R1.2872 CCC(C)Sc1cc(ccc1Cl)O 62a_100000049588_100000758301 [0,2,0,0,0,0|2,0,0]=4 22569 B13R1.2872 CCC(C)Sc1cc(ccc1Cl)O 62a_100000758301_100000049588 [0,2,0,0,0,0|2,0,0]=4 22570 B13R1.2872 CCN(C)Cc1cc(ccc1Cl)Br 2230a_100000225621_100000763347 [0,2,0,0,0,0|2,0,0]=4 22571 B13R1.2872 CCN(C)Cc1cc(ccc1Cl)Br 269982a_100000225621_100000763347 [0,2,0,0,0,0|2,0,0]=4 22572 B13R1.2872 CCN(C)Cc1cc(ccc1Cl)Br 26a_100000225621_100000738945 [0,2,0,0,0,0|2,0,0]=4 22573 B13R1.2872 CCN(C)Cc1cc(ccc1Cl)C 2230a_100000225621_100009871730 [0,2,0,0,0,0|2,0,0]=4 22574 B13R1.2872 CCN(C)Cc1cc(ccc1Cl)C 269982a_100000225621_100009871730 [0,2,0,0,0,0|2,0,0]=4 22575 B13R1.2872 CCN(C)Cc1cc(ccc1Cl)C 26a_100000225621_100000211493 [0,2,0,0,0,0|2,0,0]=4 22576 B13R1.2872 CCN(C)Cc1cc(ccc1Cl)Cl 2230a_100000225621_100000756322 [0,2,0,0,0,0|2,0,0]=4 22577 B13R1.2872 CCN(C)Cc1cc(ccc1Cl)Cl 2230a_106354212996_100000210202 [0,2,0,0,0,0|2,0,0]=4 22578 B13R1.2872 CCN(C)Cc1cc(ccc1Cl)Cl 269982a_100000225621_100000754809 [0,2,0,0,0,0|2,0,0]=4 22579 B13R1.2872 CCN(C)Cc1cc(ccc1Cl)Cl 269982a_106354212996_100000204670 [0,2,0,0,0,0|2,0,0]=4 22580 B13R1.2872 CCN(C)Cc1cc(ccc1Cl)Cl 26a_100000225621_100000211422 [0,2,0,0,0,0|2,0,0]=4 22581 B13R1.2872 CCN(C)Cc1cc(ccc1Cl)Cl 34a_106354212996_100000210202 [0,2,0,0,0,0|2,0,0]=4 22582 B13R1.2872 CCN(C)Cc1cc(ccc1Cl)F 2230a_100000225621_100000709952 [0,2,0,0,0,0|2,0,0]=4 22583 B13R1.2872 CCN(C)Cc1cc(ccc1Cl)F 269982a_100000225621_100000709952 [0,2,0,0,0,0|2,0,0]=4 22584 B13R1.2872 CCN(C)Cc1cc(ccc1Cl)F 26a_100000225621_100000692107 [0,2,0,0,0,0|2,0,0]=4 22585 B13R1.2872 CCN(C)Cc1cc(ccc1Cl)I 2230a_100000225621_100010188191 [0,2,0,0,0,0|2,0,0]=4 22586 B13R1.2872 CCN(C)Cc1cc(ccc1Cl)I 269982a_100000225621_100010188191 [0,2,0,0,0,0|2,0,0]=4 22587 B13R1.2872 CNC(=O)Cc1cc(ccc1Br)Br 11a_106832991635_100010004897 [0,2,0,0,0,0|0,1,1]=4 22588 B13R1.2872 CNC(=O)Cc1cc(ccc1Br)Br 240690a_100102657272_100010004897 [0,2,0,0,0,0|0,1,1]=4 22589 B13R1.2872 CNC(=O)Cc1cc(ccc1Br)Br 527a_100102657272_100010004897 [0,2,0,0,0,0|0,1,1]=4 22590 B13R1.2872 CNC(=O)Cc1cc(ccc1Br)C 11a_106832991635_100010004923 [0,2,0,0,0,0|0,1,1]=4 22591 B13R1.2872 CNC(=O)Cc1cc(ccc1Br)C 1626a_100102657272_100010004923 [0,2,0,0,0,0|0,1,1]=4 22592 B13R1.2872 CNC(=O)Cc1cc(ccc1Br)C 240690a_100102657272_100010004923 [0,2,0,0,0,0|0,1,1]=4 22593 B13R1.2872 CNC(=O)Cc1cc(ccc1Br)C 527a_100102657272_100010004923 [0,2,0,0,0,0|0,1,1]=4 22594 B13R1.2872 CNC(=O)Cc1cc(ccc1Br)Cl 11a_106832991635_100000690875 [0,2,0,0,0,0|0,1,1]=4 22595 B13R1.2872 CNC(=O)Cc1cc(ccc1Br)Cl 1626a_100102657272_100000690875 [0,2,0,0,0,0|0,1,1]=4 22596 B13R1.2872 CNC(=O)Cc1cc(ccc1Br)Cl 240690a_100102657272_100000690875 [0,2,0,0,0,0|0,1,1]=4 22597 B13R1.2872 CNC(=O)Cc1cc(ccc1Br)Cl 527a_100102657272_100000690875 [0,2,0,0,0,0|0,1,1]=4 22598 B13R1.2872 CNC(=O)Cc1cc(ccc1Br)F 11a_106832991635_100000690878 [0,2,0,0,0,0|0,1,1]=4 22599 B13R1.2872 CNC(=O)Cc1cc(ccc1Br)F 1626a_100102657272_100000690878 [0,2,0,0,0,0|0,1,1]=4 22600 B13R1.2872 CNC(=O)Cc1cc(ccc1Br)F 240690a_100102657272_100000690878 [0,2,0,0,0,0|0,1,1]=4 22601 B13R1.2872 CNC(=O)Cc1cc(ccc1Br)F 527a_100102657272_100000690878 [0,2,0,0,0,0|0,1,1]=4 22602 B13R1.2872 CNC(=O)Cc1cc(ccc1C)Br 11a_106832991635_100010244045 [0,2,0,0,0,0|1,0,1]=4 22603 B13R1.2872 CNC(=O)Cc1cc(ccc1C)Br 1626a_100102657272_100010244045 [0,2,0,0,0,0|1,0,1]=4 22604 B13R1.2872 CNC(=O)Cc1cc(ccc1C)Br 240690a_100102657272_100010244045 [0,2,0,0,0,0|1,0,1]=4 22605 B13R1.2872 CNC(=O)Cc1cc(ccc1C)Br 527a_100102657272_100010244045 [0,2,0,0,0,0|1,0,1]=4 22606 B13R1.2872 CNC(=O)Cc1cc(ccc1C)C 11a_106832991635_100000749331 [0,2,0,0,0,0|1,0,1]=4 22607 B13R1.2872 CNC(=O)Cc1cc(ccc1C)C 1626a_100102657272_100000749331 [0,2,0,0,0,0|1,0,1]=4 22608 B13R1.2872 CNC(=O)Cc1cc(ccc1C)C 240690a_100102657272_100000749331 [0,2,0,0,0,0|1,0,1]=4 22609 B13R1.2872 CNC(=O)Cc1cc(ccc1C)C 527a_100102657272_100000749331 [0,2,0,0,0,0|1,0,1]=4 22610 B13R1.2872 CNC(=O)Cc1cc(ccc1C)F 11a_106832991635_100011219217 [0,2,0,0,0,0|1,0,1]=4 22611 B13R1.2872 CNC(=O)Cc1cc(ccc1C)F 1626a_100102657272_100011219217 [0,2,0,0,0,0|1,0,1]=4 22612 B13R1.2872 CNC(=O)Cc1cc(ccc1C)F 240690a_100102657272_100011219217 [0,2,0,0,0,0|1,0,1]=4 22613 B13R1.2872 CNC(=O)Cc1cc(ccc1C)F 527a_100102657272_100011219217 [0,2,0,0,0,0|1,0,1]=4 22614 B13R1.2872 CNC(=O)Cc1cc(ccc1Cl)Br 11a_106832991635_100011600618 [0,2,0,0,0,0|0,0,1]=3 22615 B13R1.2872 CNC(=O)Cc1cc(ccc1Cl)Br 1626a_100102657272_100011600618 [0,2,0,0,0,0|0,0,1]=3 22616 B13R1.2872 CNC(=O)Cc1cc(ccc1Cl)Br 240690a_100102657272_100011600618 [0,2,0,0,0,0|0,0,1]=3 22617 B13R1.2872 CNC(=O)Cc1cc(ccc1Cl)Br 527a_100102657272_100011600618 [0,2,0,0,0,0|0,0,1]=3 22618 B13R1.2872 CNC(=O)Cc1cc(ccc1Cl)Cl 11a_106832991635_100000748246 [0,2,0,0,0,0|0,0,1]=3 22619 B13R1.2872 CNC(=O)Cc1cc(ccc1Cl)Cl 1626a_100102657272_100000748246 [0,2,0,0,0,0|0,0,1]=3 22620 B13R1.2872 CNC(=O)Cc1cc(ccc1Cl)Cl 240690a_100102657272_100000748246 [0,2,0,0,0,0|0,0,1]=3 22621 B13R1.2872 CNC(=O)Cc1cc(ccc1Cl)Cl 527a_100102657272_100000748246 [0,2,0,0,0,0|0,0,1]=3 22622 B13R1.2872 CNC(=O)Cc1cc(ccc1Cl)F 11a_106832991635_100011830335 [0,2,0,0,0,0|0,0,1]=3 22623 B13R1.2872 CNC(=O)Cc1cc(ccc1Cl)F 1626a_100102657272_100011830335 [0,2,0,0,0,0|0,0,1]=3 22624 B13R1.2872 CNC(=O)Cc1cc(ccc1Cl)F 240690a_100102657272_100011830335 [0,2,0,0,0,0|0,0,1]=3 22625 B13R1.2872 CNC(=O)Cc1cc(ccc1Cl)F 527a_100102657272_100011830335 [0,2,0,0,0,0|0,0,1]=3 22626 B13R1.2872 CNC(=O)Cc1cc(ccc1F)Br 11a_106832991635_100000690877 [0,2,0,0,0,0|0,1,1]=4 22627 B13R1.2872 CNC(=O)Cc1cc(ccc1F)Br 1626a_100102657272_100000690877 [0,2,0,0,0,0|0,1,1]=4 22628 B13R1.2872 CNC(=O)Cc1cc(ccc1F)Br 240690a_100102657272_100000690877 [0,2,0,0,0,0|0,1,1]=4 22629 B13R1.2872 CNC(=O)Cc1cc(ccc1F)Br 527a_100102657272_100000690877 [0,2,0,0,0,0|0,1,1]=4 22630 B13R1.2872 CNC(=O)Cc1cc(ccc1F)C 11a_106832991635_100011667363 [0,2,0,0,0,0|0,1,1]=4 22631 B13R1.2872 CNC(=O)Cc1cc(ccc1F)C 1626a_100102657272_100011667363 [0,2,0,0,0,0|0,1,1]=4 22632 B13R1.2872 CNC(=O)Cc1cc(ccc1F)C 240690a_100102657272_100011667363 [0,2,0,0,0,0|0,1,1]=4 22633 B13R1.2872 CNC(=O)Cc1cc(ccc1F)C 527a_100102657272_100011667363 [0,2,0,0,0,0|0,1,1]=4 22634 B13R1.2872 CNC(=O)Cc1cc(ccc1F)Cl 11a_106832991635_100011217548 [0,2,0,0,0,0|0,1,1]=4 22635 B13R1.2872 CNC(=O)Cc1cc(ccc1F)Cl 1626a_100102657272_100011217548 [0,2,0,0,0,0|0,1,1]=4 22636 B13R1.2872 CNC(=O)Cc1cc(ccc1F)Cl 240690a_100102657272_100011217548 [0,2,0,0,0,0|0,1,1]=4 22637 B13R1.2872 CNC(=O)Cc1cc(ccc1F)Cl 527a_100102657272_100011217548 [0,2,0,0,0,0|0,1,1]=4 22638 B13R1.2872 CNC(=O)Cc1cc(ccc1F)F 11a_106832991635_100000762760 [0,2,0,0,0,0|0,1,1]=4 22639 B13R1.2872 CNC(=O)Cc1cc(ccc1F)F 1626a_100102657272_100000762760 [0,2,0,0,0,0|0,1,1]=4 22640 B13R1.2872 CNC(=O)Cc1cc(ccc1F)F 240690a_100102657272_100000762760 [0,2,0,0,0,0|0,1,1]=4 22641 B13R1.2872 CNC(=O)Cc1cc(ccc1F)F 527a_100102657272_100000762760 [0,2,0,0,0,0|0,1,1]=4 22642 B13R1.2872 CNC(=O)Cc1cc(ccc1O)Br 240690a_100102657272_100010072483 [0,2,0,0,0,0|1,0,1]=4 22643 B13R1.2872 CNC(=O)Nc1cc(ccc1Cl)C 2430a_100011215360_100102657272 [0,2,0,0,0,0|1,0,1]=4 22644 B13R1.2872 CNC(=O)Nc1cc(ccc1Cl)Cl 2430a_100000184485_100102657272 [0,2,0,0,0,0|1,0,1]=4 22645 B13R1.2872 CNC(=O)Nc1cc(ccc1Cl)F 2430a_100000751338_100102657272 [0,2,0,0,0,0|1,0,1]=4 22646 B13R1.2872 CNC(=O)Nc1cc(ccc1Cl)I 2430a_200000761891_100102657272 [0,2,0,0,0,0|1,0,1]=4 22647 B13R1.2872 CNC(=O)Nc1cc(ccc1Cl)O 2430a_100011934297_100102657272 [0,2,0,0,0,0|1,0,1]=4 22648 B13R1.2872 CNC(C)Cc1cc(ccc1Cl)Cl 270004a_106832991635_200012258975 [0,2,0,0,0,0|0,0,0]=2 22649 B13R1.2872 CNC(C)Cc1cc(ccc1F)F 270004a_106832991635_200011522264 [0,2,0,0,0,0|0,1,0]=3 22650 B13R1.2872 COC(C)Sc1cc(ccc1Cl)Br 62a_100009879195_100011772130 [0,2,0,0,0,0|2,0,0]=4 22651 B13R1.2872 COC(C)Sc1cc(ccc1Cl)Br 62a_100011772130_100009879195 [0,2,0,0,0,0|2,0,0]=4 22652 B13R1.2872 COC(C)Sc1cc(ccc1Cl)C 62a_100009879195_100012356289 [0,2,0,0,0,0|2,0,0]=4 22653 B13R1.2872 COC(C)Sc1cc(ccc1Cl)C 62a_100012356289_100009879195 [0,2,0,0,0,0|2,0,0]=4 22654 B13R1.2872 COC(C)Sc1cc(ccc1Cl)Cl 62a_100000707729_100009879195 [0,2,0,0,0,0|2,0,0]=4 22655 B13R1.2872 COC(C)Sc1cc(ccc1Cl)Cl 62a_100009879195_100000707729 [0,2,0,0,0,0|2,0,0]=4 22656 B13R1.2872 COC(C)Sc1cc(ccc1Cl)F 62a_100009879195_100011217299 [0,2,0,0,0,0|2,0,0]=4 22657 B13R1.2872 COC(C)Sc1cc(ccc1Cl)F 62a_100011217299_100009879195 [0,2,0,0,0,0|2,0,0]=4 22658 B13R1.2872 COC(C)Sc1cc(ccc1Cl)N 62a_100009879195_100012360549 [0,2,0,0,0,0|2,0,0]=4 22659 B13R1.2872 COC(C)Sc1cc(ccc1Cl)N 62a_100012360549_100009879195 [0,2,0,0,0,0|2,0,0]=4 22660 B13R1.2872 COC(C)Sc1cc(ccc1Cl)O 62a_100000049588_100009879195 [0,2,0,0,0,0|2,0,0]=4 22661 B13R1.2872 COC(C)Sc1cc(ccc1Cl)O 62a_100009879195_100000049588 [0,2,0,0,0,0|2,0,0]=4 22662 B13R1.4928 CCC(=O)Cc1c(cccc1Br)Cl 1458a_100000210414_100010138402 [0,2,0,0,0,0|1,0,1]=4 22663 B13R1.4928 CCC(=O)Cc1c(cccc1Br)Cl 1458a_100013084675_100000210202 [0,2,0,0,0,0|1,0,1]=4 22664 B13R1.4928 CCC(=O)Cc1c(cccc1Cl)Cl 1458a_100000210414_100000187851 [0,2,0,0,0,0|1,0,1]=4 22665 B13R1.4928 CCC(=O)Cc1c(cccc1Cl)Cl 1458a_100000211232_100000210202 [0,2,0,0,0,0|1,0,1]=4 22666 B13R1.4928 CCC(=O)Cc1c(cccc1Cl)F 1458a_100000185183_100000210202 [0,2,0,0,0,0|1,0,1]=4 22667 B13R1.4928 CCC(=O)Cc1c(cccc1Cl)F 1458a_100000210414_100000187852 [0,2,0,0,0,0|1,0,1]=4 22668 B13R1.4928 CCC(C)Nc1c(cccc1Br)Cl 34a_100102946385_100011215416 [0,2,0,0,0,0|2,0,0]=4 22669 B13R1.4928 CCC(C)Nc1c(cccc1Cl)C 34a_100000756524_100011215416 [0,2,0,0,0,0|2,0,0]=4 22670 B13R1.4928 CCC(C)Nc1c(cccc1Cl)Cl 34a_100000210028_100011215416 [0,2,0,0,0,0|2,0,0]=4 22671 B13R1.4928 CCC(C)Nc1c(cccc1Cl)F 34a_100000760031_100011215416 [0,2,0,0,0,0|2,0,0]=4 22672 B13R1.4928 CCC(C)Nc1c(cccc1Cl)O 34a_100012022510_100011215416 [0,2,0,0,0,0|2,0,0]=4 22673 B13R1.4928 CCC(C)Oc1c(cccc1Br)Cl 34a_100010214474_100011215416 [0,2,0,0,0,0|2,0,0]=4 22674 B13R1.4928 CCC(C)Oc1c(cccc1Br)Cl 7a_100010214474_100000758301 [0,2,0,0,0,0|2,0,0]=4 22675 B13R1.4928 CCC(C)Oc1c(cccc1Cl)C 34a_100000033731_100011215416 [0,2,0,0,0,0|2,0,0]=4 22676 B13R1.4928 CCC(C)Oc1c(cccc1Cl)C 7a_100000033731_100000758301 [0,2,0,0,0,0|2,0,0]=4 22677 B13R1.4928 CCC(C)Oc1c(cccc1Cl)Cl 34a_100000211709_100011215416 [0,2,0,0,0,0|2,0,0]=4 22678 B13R1.4928 CCC(C)Oc1c(cccc1Cl)Cl 7a_100000211709_100000758301 [0,2,0,0,0,0|2,0,0]=4 22679 B13R1.4928 CCC(C)Oc1c(cccc1Cl)F 34a_100000694953_100011215416 [0,2,0,0,0,0|2,0,0]=4 22680 B13R1.4928 CCC(C)Oc1c(cccc1Cl)F 7a_100000694953_100000758301 [0,2,0,0,0,0|2,0,0]=4 22681 B13R1.4928 CCC(C)Oc1c(cccc1Cl)N 34a_100000754742_100011215416 [0,2,0,0,0,0|2,0,0]=4 22682 B13R1.4928 CCC(C)Oc1c(cccc1I)Cl 34a_100010202889_100011215416 [0,2,0,0,0,0|2,0,0]=4 22683 B13R1.4928 CCC(C)Oc1c(cccc1I)Cl 7a_100010202889_100000758301 [0,2,0,0,0,0|2,0,0]=4 22684 B13R1.4928 CCC(C)Sc1c(cccc1Br)Cl 62a_100000758301_100010214488 [0,2,0,0,0,0|2,0,0]=4 22685 B13R1.4928 CCC(C)Sc1c(cccc1Br)Cl 62a_100010214488_100000758301 [0,2,0,0,0,0|2,0,0]=4 22686 B13R1.4928 CCC(C)Sc1c(cccc1Cl)C 62a_100000043165_100000758301 [0,2,0,0,0,0|2,0,0]=4 22687 B13R1.4928 CCC(C)Sc1c(cccc1Cl)C 62a_100000758301_100000043165 [0,2,0,0,0,0|2,0,0]=4 22688 B13R1.4928 CCC(C)Sc1c(cccc1Cl)Cl 62a_100000034237_100000758301 [0,2,0,0,0,0|2,0,0]=4 22689 B13R1.4928 CCC(C)Sc1c(cccc1Cl)Cl 62a_100000758301_100000034237 [0,2,0,0,0,0|2,0,0]=4 22690 B13R1.4928 CCC(C)Sc1c(cccc1Cl)F 62a_100000050007_100000758301 [0,2,0,0,0,0|2,0,0]=4 22691 B13R1.4928 CCC(C)Sc1c(cccc1Cl)F 62a_100000758301_100000050007 [0,2,0,0,0,0|2,0,0]=4 22692 B13R1.4928 CCC(C)Sc1c(cccc1Cl)N 62a_100000049713_100000758301 [0,2,0,0,0,0|2,0,0]=4 22693 B13R1.4928 CCC(C)Sc1c(cccc1Cl)N 62a_100000758301_100000049713 [0,2,0,0,0,0|2,0,0]=4 22694 B13R1.4928 CCC(C)Sc1c(cccc1Cl)O 62a_100000758301_100000050174 [0,2,0,0,0,0|2,0,0]=4 22695 B13R1.4928 CCN(C)Cc1c(cccc1Br)Cl 2230a_100000225621_100010138402 [0,2,0,0,0,0|2,0,0]=4 22696 B13R1.4928 CCN(C)Cc1c(cccc1Br)Cl 269982a_100000225621_100010138402 [0,2,0,0,0,0|2,0,0]=4 22697 B13R1.4928 CCN(C)Cc1c(cccc1Br)Cl 26a_100000225621_100010214474 [0,2,0,0,0,0|2,0,0]=4 22698 B13R1.4928 CCN(C)Cc1c(cccc1Cl)Cl 2230a_100000186903_100000210202 [0,2,0,0,0,0|2,0,0]=4 22699 B13R1.4928 CCN(C)Cc1c(cccc1Cl)Cl 2230a_100000225621_100000187851 [0,2,0,0,0,0|2,0,0]=4 22700 B13R1.4928 CCN(C)Cc1c(cccc1Cl)Cl 269982a_100000186903_100000204670 [0,2,0,0,0,0|2,0,0]=4 22701 B13R1.4928 CCN(C)Cc1c(cccc1Cl)Cl 269982a_100000225621_100000211241 [0,2,0,0,0,0|2,0,0]=4 22702 B13R1.4928 CCN(C)Cc1c(cccc1Cl)Cl 26a_100000225621_100000211709 [0,2,0,0,0,0|2,0,0]=4 22703 B13R1.4928 CCN(C)Cc1c(cccc1Cl)Cl 34a_100000186903_100000210202 [0,2,0,0,0,0|2,0,0]=4 22704 B13R1.4928 CCN(C)Cc1c(cccc1Cl)F 2230a_100000184537_100000210202 [0,2,0,0,0,0|2,0,0]=4 22705 B13R1.4928 CCN(C)Cc1c(cccc1Cl)F 2230a_100000225621_100000187852 [0,2,0,0,0,0|2,0,0]=4 22706 B13R1.4928 CCN(C)Cc1c(cccc1Cl)F 2230a_200000186927_200000210301 [0,2,0,0,0,0|2,0,0]=4 22707 B13R1.4928 CCN(C)Cc1c(cccc1Cl)F 269982a_100000184537_100000204670 [0,2,0,0,0,0|2,0,0]=4 22708 B13R1.4928 CCN(C)Cc1c(cccc1Cl)F 269982a_100000225621_100000187852 [0,2,0,0,0,0|2,0,0]=4 22709 B13R1.4928 CCN(C)Cc1c(cccc1Cl)F 269982a_200000186927_200000210301 [0,2,0,0,0,0|2,0,0]=4 22710 B13R1.4928 CCN(C)Cc1c(cccc1Cl)F 34a_100000184537_100000210202 [0,2,0,0,0,0|2,0,0]=4 22711 B13R1.4928 CCN(C)Cc1c(cccc1Cl)F 34a_200000186927_200000210301 [0,2,0,0,0,0|2,0,0]=4 22712 B13R1.4928 CCN([13CH3])Cc1c(cccc1Cl)F 2230a_200000186927_200025704644 [0,2,0,0,0,0|2,0,0]=4 22713 B13R1.4928 CCN([13CH3])Cc1c(cccc1Cl)F 269982a_200000186927_200025704644 [0,2,0,0,0,0|2,0,0]=4 22714 B13R1.4928 CCN([13CH3])Cc1c(cccc1Cl)F 34a_200000186927_200025704644 [0,2,0,0,0,0|2,0,0]=4 22715 B13R1.4928 CNC(=O)Cc1c(cccc1Br)Br 11a_106832991635_100010209379 [0,2,0,0,0,0|0,1,1]=4 22716 B13R1.4928 CNC(=O)Cc1c(cccc1Br)Br 240690a_100102657272_100010209379 [0,2,0,0,0,0|0,1,1]=4 22717 B13R1.4928 CNC(=O)Cc1c(cccc1Br)Br 527a_100102657272_100010209379 [0,2,0,0,0,0|0,1,1]=4 22718 B13R1.4928 CNC(=O)Cc1c(cccc1Br)C 11a_106832991635_100010147022 [0,2,0,0,0,0|0,1,1]=4 22719 B13R1.4928 CNC(=O)Cc1c(cccc1Br)C 1626a_100102657272_100010147022 [0,2,0,0,0,0|0,1,1]=4 22720 B13R1.4928 CNC(=O)Cc1c(cccc1Br)C 240690a_100102657272_100010147022 [0,2,0,0,0,0|0,1,1]=4 22721 B13R1.4928 CNC(=O)Cc1c(cccc1Br)C 527a_100102657272_100010147022 [0,2,0,0,0,0|0,1,1]=4 22722 B13R1.4928 CNC(=O)Cc1c(cccc1Br)Cl 11a_106832991635_100013084675 [0,2,0,0,0,0|0,0,1]=3 22723 B13R1.4928 CNC(=O)Cc1c(cccc1Br)Cl 1626a_100102657272_100013084675 [0,2,0,0,0,0|0,0,1]=3 22724 B13R1.4928 CNC(=O)Cc1c(cccc1Br)Cl 240690a_100102657272_100013084675 [0,2,0,0,0,0|0,0,1]=3 22725 B13R1.4928 CNC(=O)Cc1c(cccc1Br)Cl 527a_100102657272_100013084675 [0,2,0,0,0,0|0,0,1]=3 22726 B13R1.4928 CNC(=O)Cc1c(cccc1Br)F 11a_106832991635_100010172741 [0,2,0,0,0,0|0,1,1]=4 22727 B13R1.4928 CNC(=O)Cc1c(cccc1Br)F 1626a_100102657272_100010172741 [0,2,0,0,0,0|0,1,1]=4 22728 B13R1.4928 CNC(=O)Cc1c(cccc1Br)F 240690a_100102657272_100010172741 [0,2,0,0,0,0|0,1,1]=4 22729 B13R1.4928 CNC(=O)Cc1c(cccc1Br)F 527a_100102657272_100010172741 [0,2,0,0,0,0|0,1,1]=4 22730 B13R1.4928 CNC(=O)Cc1c(cccc1C)C 11a_106832991635_100000689862 [0,2,0,0,0,0|1,0,1]=4 22731 B13R1.4928 CNC(=O)Cc1c(cccc1C)C 1626a_100102657272_100000689862 [0,2,0,0,0,0|1,0,1]=4 22732 B13R1.4928 CNC(=O)Cc1c(cccc1C)C 240690a_100102657272_100000689862 [0,2,0,0,0,0|1,0,1]=4 22733 B13R1.4928 CNC(=O)Cc1c(cccc1C)C 527a_100102657272_100000689862 [0,2,0,0,0,0|1,0,1]=4 22734 B13R1.4928 CNC(=O)Cc1c(cccc1Cl)Cl 11a_106832991635_100000211232 [0,2,0,0,0,0|0,0,1]=3 22735 B13R1.4928 CNC(=O)Cc1c(cccc1Cl)Cl 1626a_100102657272_100000211232 [0,2,0,0,0,0|0,0,1]=3 22736 B13R1.4928 CNC(=O)Cc1c(cccc1Cl)Cl 240690a_100102657272_100000211232 [0,2,0,0,0,0|0,0,1]=3 22737 B13R1.4928 CNC(=O)Cc1c(cccc1Cl)Cl 527a_100102657272_100000211232 [0,2,0,0,0,0|0,0,1]=3 22738 B13R1.4928 CNC(=O)Cc1c(cccc1Cl)F 11a_106832991635_100000185183 [0,2,0,0,0,0|0,0,1]=3 22739 B13R1.4928 CNC(=O)Cc1c(cccc1Cl)F 1626a_100102657272_100000185183 [0,2,0,0,0,0|0,0,1]=3 22740 B13R1.4928 CNC(=O)Cc1c(cccc1Cl)F 240690a_100102657272_100000185183 [0,2,0,0,0,0|0,0,1]=3 22741 B13R1.4928 CNC(=O)Cc1c(cccc1Cl)F 527a_100102657272_100000185183 [0,2,0,0,0,0|0,0,1]=3 22742 B13R1.4928 CNC(=O)Cc1c(cccc1F)F 11a_106832991635_100000684726 [0,2,0,0,0,0|0,1,1]=4 22743 B13R1.4928 CNC(=O)Cc1c(cccc1F)F 1626a_100102657272_100000684726 [0,2,0,0,0,0|0,1,1]=4 22744 B13R1.4928 CNC(=O)Cc1c(cccc1F)F 240690a_100102657272_100000684726 [0,2,0,0,0,0|0,1,1]=4 22745 B13R1.4928 CNC(=O)Cc1c(cccc1F)F 527a_100102657272_100000684726 [0,2,0,0,0,0|0,1,1]=4 22746 B13R1.4928 CNC(=O)Nc1c(cccc1Br)Cl 2430a_100102946385_100102657272 [0,2,0,0,0,0|1,0,1]=4 22747 B13R1.4928 CNC(=O)Nc1c(cccc1Cl)C 2430a_100000756524_100102657272 [0,2,0,0,0,0|1,0,1]=4 22748 B13R1.4928 CNC(=O)Nc1c(cccc1Cl)F 2430a_100000760031_100102657272 [0,2,0,0,0,0|1,0,1]=4 22749 B13R1.4928 CNC(C)Cc1c(cccc1Cl)Cl 270004a_106832991635_100000692661 [0,2,0,0,0,0|0,0,0]=2 22750 B13R1.4928 COC(C)Sc1c(cccc1Br)Cl 62a_100009879195_100010214488 [0,2,0,0,0,0|2,0,0]=4 22751 B13R1.4928 COC(C)Sc1c(cccc1Br)Cl 62a_100010214488_100009879195 [0,2,0,0,0,0|2,0,0]=4 22752 B13R1.4928 COC(C)Sc1c(cccc1Cl)C 62a_100000043165_100009879195 [0,2,0,0,0,0|2,0,0]=4 22753 B13R1.4928 COC(C)Sc1c(cccc1Cl)C 62a_100009879195_100000043165 [0,2,0,0,0,0|2,0,0]=4 22754 B13R1.4928 COC(C)Sc1c(cccc1Cl)Cl 62a_100000034237_100009879195 [0,2,0,0,0,0|2,0,0]=4 22755 B13R1.4928 COC(C)Sc1c(cccc1Cl)Cl 62a_100009879195_100000034237 [0,2,0,0,0,0|2,0,0]=4 22756 B13R1.4928 COC(C)Sc1c(cccc1Cl)F 62a_100000050007_100009879195 [0,2,0,0,0,0|2,0,0]=4 22757 B13R1.4928 COC(C)Sc1c(cccc1Cl)F 62a_100009879195_100000050007 [0,2,0,0,0,0|2,0,0]=4 22758 B13R1.4928 COC(C)Sc1c(cccc1Cl)N 62a_100000049713_100009879195 [0,2,0,0,0,0|2,0,0]=4 22759 B13R1.4928 COC(C)Sc1c(cccc1Cl)N 62a_100009879195_100000049713 [0,2,0,0,0,0|2,0,0]=4 22760 B13R1.4928 COC(C)Sc1c(cccc1Cl)O 62a_100009879195_100000050174 [0,2,0,0,0,0|2,0,0]=4 22761 B13R1.558 CCCCc1cc(ccc1Br)C#N 271570a_100020621405_100012349583 [0,2,0,0,0,0|1,1,0]=4 22762 B13R1.558 CCCCc1cc(ccc1Br)C=O 271570a_100020621405_100010146563 [0,2,0,0,0,0|1,1,0]=4 22763 B13R1.558 CCCCc1cc(ccc1Br)OC 271570a_100020621405_100009992028 [0,2,0,0,0,0|1,1,0]=4 22764 B13R1.558 CCCCc1cc(ccc1C)C#N 271570a_100020621405_100000690169 [0,2,0,0,0,0|2,0,0]=4 22765 B13R1.558 CCCCc1cc(ccc1C)C=O 271570a_100020621405_100000695567 [0,2,0,0,0,0|2,0,0]=4 22766 B13R1.558 CCCCc1cc(ccc1C)CO 271570a_100020621405_100000050133 [0,2,0,0,0,0|2,0,0]=4 22767 B13R1.558 CCCCc1cc(ccc1C)NC 271570a_100020621405_100000707694 [0,2,0,0,0,0|2,0,0]=4 22768 B13R1.558 CCCCc1cc(ccc1C)NN 271570a_100020621405_100016991967 [0,2,0,0,0,0|2,0,0]=4 22769 B13R1.558 CCCCc1cc(ccc1C)OC 271570a_100020621405_100012349166 [0,2,0,0,0,0|2,0,0]=4 22770 B13R1.558 CCCCc1cc(ccc1Cl)C#N 271570a_100020621405_100010199462 [0,2,0,0,0,0|1,0,0]=3 22771 B13R1.558 CCCCc1cc(ccc1Cl)C=O 271570a_100020621405_100010209939 [0,2,0,0,0,0|1,0,0]=3 22772 B13R1.558 CCCCc1cc(ccc1Cl)OC 271570a_100020621405_100011356938 [0,2,0,0,0,0|1,0,0]=3 22773 B13R1.558 CCCCc1cc(ccc1F)C#N 271570a_100020621405_100000188605 [0,2,0,0,0,0|1,1,0]=4 22774 B13R1.558 CCCCc1cc(ccc1F)C=O 271570a_100020621405_100000211747 [0,2,0,0,0,0|1,1,0]=4 22775 B13R1.558 CCCCc1cc(ccc1F)CC 271570a_100020621405_200010244628 [0,2,0,0,0,0|1,1,0]=4 22776 B13R1.558 CCCCc1cc(ccc1F)CN 271570a_100020621405_100015193890 [0,2,0,0,0,0|1,1,0]=4 22777 B13R1.558 CCCCc1cc(ccc1F)CO 271570a_100020621405_100000246287 [0,2,0,0,0,0|1,1,0]=4 22778 B13R1.558 CCCCc1cc(ccc1F)NN 271570a_100020621405_200025705588 [0,2,0,0,0,0|1,1,0]=4 22779 B13R1.558 CCCCc1cc(ccc1F)OC 271570a_100020621405_100000699733 [0,2,0,0,0,0|1,1,0]=4 22780 B13R1.558 CCCCc1cc(ccc1F)SC 271570a_100020621405_200010708804 [0,2,0,0,0,0|1,1,0]=4 22781 B13R1.558 CCCCc1cc(ccc1N)C#N 271570a_100020621405_100000736769 [0,2,0,0,0,0|2,0,0]=4 22782 B13R1.558 CCCCc1cc(ccc1N)CC 271570a_100020621405_100012339725 [0,2,0,0,0,0|2,0,0]=4 22783 B13R1.558 CCCCc1cc(ccc1N)OC 271570a_100020621405_100015195136 [0,2,0,0,0,0|2,0,0]=4 22784 B13R1.558 CCCCc1cc(ccc1O)C#N 271570a_100020621405_100000725478 [0,2,0,0,0,0|2,0,0]=4 22785 B13R1.558 CCCCc1cc(ccc1O)C=O 271570a_100020621405_100000184552 [0,2,0,0,0,0|2,0,0]=4 22786 B13R1.558 CCCCc1cc(ccc1O)CC 271570a_100020621405_100012339963 [0,2,0,0,0,0|2,0,0]=4 22787 B13R1.558 CCCCc1cc(ccc1O)CO 271570a_100020621405_100011191544 [0,2,0,0,0,0|2,0,0]=4 22788 B13R1.558 CCCCc1cc(ccc1O)OC 271570a_100020621405_100000685887 [0,2,0,0,0,0|2,0,0]=4 22789 B13R1.558 CCCCc1cc(cnc1Cl)C#N 271570a_100020621405_100010075213 [0,2,0,0,0,0|2,0,0]=4 22790 B13R1.558 CCCCc1cc(cnc1Cl)CO 271570a_100020621405_200015217190 [0,2,0,0,0,0|2,0,0]=4 22791 B13R1.558 CCCCc1cc(ncc1Cl)OC 271570a_100020621405_100010068019 [0,2,0,0,0,0|2,0,0]=4 22792 B13R1.558 CCCNc1cc(ccc1Cl)C#N 34a_100000766345_100000210303 [0,2,0,0,0,0|2,0,0]=4 22793 B13R1.558 CCCNc1cc(ccc1Cl)C#N 7a_100000766345_100000210303 [0,2,0,0,0,0|2,0,0]=4 22794 B13R1.558 CCCNc1cc(ccc1Cl)CO 34a_106256033963_100000210303 [0,2,0,0,0,0|2,0,0]=4 22795 B13R1.558 CCCNc1cc(ccc1Cl)OC 34a_100000745576_100000210303 [0,2,0,0,0,0|2,0,0]=4 22796 B13R1.558 CCCOc1cc(ccc1Cl)C#N 34a_100012186312_100000210303 [0,2,0,0,0,0|2,0,0]=4 22797 B13R1.558 CCCOc1cc(ccc1Cl)C#N 7a_100012186312_100000210303 [0,2,0,0,0,0|2,0,0]=4 22798 B13R1.558 CCCOc1cc(ccc1Cl)CN 34a_100020636435_100000210303 [0,2,0,0,0,0|2,0,0]=4 22799 B13R1.558 CCCOc1cc(ccc1Cl)CO 34a_100009876509_100000210303 [0,2,0,0,0,0|2,0,0]=4 22800 B13R1.558 CCCOc1cc(ccc1Cl)CO 7a_100009876509_100000210303 [0,2,0,0,0,0|2,0,0]=4 22801 B13R1.558 CCCOc1cc(ccc1Cl)OC 34a_100011516019_100000210303 [0,2,0,0,0,0|2,0,0]=4 22802 B13R1.558 CCCOc1cc(ccc1Cl)OC 7a_100011516019_100000210303 [0,2,0,0,0,0|2,0,0]=4 22803 B13R1.558 CCCSc1cc(ccc1Cl)C#N 62a_100000210303_100010199462 [0,2,0,0,0,0|2,0,0]=4 22804 B13R1.558 CCCSc1cc(ccc1Cl)C=O 62a_100000210303_100010209939 [0,2,0,0,0,0|2,0,0]=4 22805 B13R1.558 CCCSc1cc(ccc1Cl)C=O 62a_100010209939_100000210303 [0,2,0,0,0,0|2,0,0]=4 22806 B13R1.558 CCCSc1cc(ccc1Cl)OC 62a_100000210303_100011356938 [0,2,0,0,0,0|2,0,0]=4 22807 B13R1.558 CCCSc1cc(ccc1Cl)OC 62a_100011356938_100000210303 [0,2,0,0,0,0|2,0,0]=4 22808 B13R1.558 CCNCc1cc(ccc1Cl)C#N 207a_100015525214_100012179093 [0,2,0,0,0,0|2,0,0]=4 22809 B13R1.558 CCNCc1cc(ccc1Cl)C#N 270004a_100015525214_100012179093 [0,2,0,0,0,0|2,0,0]=4 22810 B13R1.558 CCNCc1cc(ccc1Cl)OC 207a_100015525214_100000117592 [0,2,0,0,0,0|2,0,0]=4 22811 B13R1.558 CCNCc1cc(ccc1Cl)OC 2230a_100015525214_100000718613 [0,2,0,0,0,0|2,0,0]=4 22812 B13R1.558 CCNCc1cc(ccc1Cl)OC 270004a_100015525214_100000117592 [0,2,0,0,0,0|2,0,0]=4 22813 B13R1.558 CCOCc1cc(ccc1Cl)OC 34a_100121572206_100000718613 [0,2,0,0,0,0|2,0,0]=4 22814 B13R1.558 CCSCc1cc(ccc1Cl)OC 62a_100000210202_100000718613 [0,2,0,0,0,0|2,0,0]=4 22815 B13R1.558 CCSCc1cc(ccc1Cl)OC 62a_100000718613_100000210202 [0,2,0,0,0,0|2,0,0]=4 22816 B13R1.558 COCCc1cc(ccc1Br)OC 34a_100012259501_200000210301 [0,2,0,0,0,0|1,1,0]=4 22817 B13R1.558 COCCc1cc(ccc1Br)OC 7a_100012259501_200000210301 [0,2,0,0,0,0|1,1,0]=4 22818 B13R1.558 COCSc1cc(ccc1Cl)C#N 62a_100000766300_100010199462 [0,2,0,0,0,0|2,0,0]=4 22819 B13R1.558 COCSc1cc(ccc1Cl)C=O 62a_100000766300_100010209939 [0,2,0,0,0,0|2,0,0]=4 22820 B13R1.558 COCSc1cc(ccc1Cl)C=O 62a_100010209939_100000766300 [0,2,0,0,0,0|2,0,0]=4 22821 B13R1.558 COCSc1cc(ccc1Cl)OC 62a_100000766300_100011356938 [0,2,0,0,0,0|2,0,0]=4 22822 B13R1.558 COCSc1cc(ccc1Cl)OC 62a_100011356938_100000766300 [0,2,0,0,0,0|2,0,0]=4 22823 B13R1.558 COc1ccc(c(c1)CCO[13CH3])Br 34a_100012259501_200025704644 [0,2,0,0,0,0|1,1,0]=4 22824 B13R1.558 COc1ccc(c(c1)CCO[13CH3])Br 7a_100012259501_200025704644 [0,2,0,0,0,0|1,1,0]=4 22825 B13R1.558 COc1ccc(c(c1)NCSC)Cl 34a_100000745576_100011218213 [0,2,0,0,0,0|2,0,0]=4 22826 B13R1.558 COc1ccc(c(c1)OCSC)Cl 34a_100011516019_100011218213 [0,2,0,0,0,0|2,0,0]=4 22827 B13R1.558 COc1ccc(c(c1)SCSC)Cl 62a_100011218213_100011356938 [0,2,0,0,0,0|2,0,0]=4 22828 B13R1.558 COc1ccc(c(c1)SCSC)Cl 62a_100011356938_100011218213 [0,2,0,0,0,0|2,0,0]=4 22829 B13R1.558 CSCNc1cc(ccc1Cl)C#N 34a_100000766345_100011218213 [0,2,0,0,0,0|2,0,0]=4 22830 B13R1.558 CSCNc1cc(ccc1Cl)CO 34a_106256033963_100011218213 [0,2,0,0,0,0|2,0,0]=4 22831 B13R1.558 CSCOc1cc(ccc1Cl)C#N 34a_100012186312_100011218213 [0,2,0,0,0,0|2,0,0]=4 22832 B13R1.558 CSCOc1cc(ccc1Cl)CN 34a_100020636435_100011218213 [0,2,0,0,0,0|2,0,0]=4 22833 B13R1.558 CSCOc1cc(ccc1Cl)CO 34a_100009876509_100011218213 [0,2,0,0,0,0|2,0,0]=4 22834 B13R1.558 CSCSc1cc(ccc1Cl)C#N 62a_100011218213_100010199462 [0,2,0,0,0,0|2,0,0]=4 22835 B13R1.558 CSCSc1cc(ccc1Cl)C=O 62a_100010209939_100011218213 [0,2,0,0,0,0|2,0,0]=4 22836 B13R1.558 CSCSc1cc(ccc1Cl)C=O 62a_100011218213_100010209939 [0,2,0,0,0,0|2,0,0]=4 22837 B11R1.29 CNCCC(=O)c1cccs1 2230a_106832991635_100011290775 [0,0,1,1,0,0|2,0,0]=4 22838 B11R1.29 CNCCC(=O)c1cccs1 7a_106832991635_100011290775 [0,0,1,1,0,0|2,0,0]=4 22839 B11R1.4 CCCCC=Cc1ccco1 271570a_100016275911_100009814098 [0,0,1,1,0,0|2,0,0]=4 22840 B11R1.4 CCCCC=Cc1cccs1 271570a_100016275911_100011215356 [0,0,1,1,0,0|2,0,0]=4 22841 B11R2.10 CN1Cc2ccccc2C1 2230a_100000752595_200000210301 [1,0,0,1,0,0|1,0,0]=3 22842 B11R2.10 CN1Cc2ccccc2C1 269982a_100000752595_200000210301 [1,0,0,1,0,0|1,0,0]=3 22843 B11R2.10 CN1Cc2ccccc2C1 34a_100000752595_200000210301 [1,0,0,1,0,0|1,0,0]=3 22844 B11R2.10 CN1Cc2cccnc2C1 269982a_100000726175_200000210301 [1,0,0,1,0,0|2,0,0]=4 22845 B11R2.10 CN1Cc2ccncc2C1 2230a_100000730608_200000210301 [1,0,0,1,0,0|2,0,0]=4 22846 B11R2.10 CN1Cc2ccncc2C1 269982a_100000730608_200000210301 [1,0,0,1,0,0|2,0,0]=4 22847 B11R2.10 [13CH3]N1Cc2ccccc2C1 2230a_100000752595_200025704644 [1,0,0,1,0,0|1,0,0]=3 22848 B11R2.10 [13CH3]N1Cc2ccccc2C1 269982a_100000752595_200025704644 [1,0,0,1,0,0|1,0,0]=3 22849 B11R2.10 [13CH3]N1Cc2ccccc2C1 34a_100000752595_200025704644 [1,0,0,1,0,0|1,0,0]=3 22850 B11R2.10 [13CH3]N1Cc2cccnc2C1 269982a_100000726175_200025704644 [1,0,0,1,0,0|2,0,0]=4 22851 B11R2.10 [13CH3]N1Cc2ccncc2C1 2230a_100000730608_200025704644 [1,0,0,1,0,0|2,0,0]=4 22852 B11R2.10 [13CH3]N1Cc2ccncc2C1 269982a_100000730608_200025704644 [1,0,0,1,0,0|2,0,0]=4 22853 B11R2.55 Brc1ccccc1C2CC2 271570a_100011220607_100000695589 [1,0,0,1,0,0|0,1,0]=3 22854 B11R2.55 Brc1cccnc1C2CC2 271570a_100011220607_100000696092 [1,0,0,1,0,0|1,1,0]=4 22855 B11R2.55 Brc1ccncc1C2CC2 271570a_100011220607_100010138639 [1,0,0,1,0,0|1,1,0]=4 22856 B11R2.55 Brc1cnccc1C2CC2 271570a_100011220607_100000726257 [1,0,0,1,0,0|1,1,0]=4 22857 B11R2.55 Brc1ncccc1C2CC2 271570a_100011220607_100010202626 [1,0,0,1,0,0|1,1,0]=4 22858 B11R2.55 C[n+]1ccccc1C2CC2 271570a_100011220607_100000212160 [1,0,0,1,0,0|2,0,0]=4 22859 B11R2.55 Cc1ccccc1C2CC2 271570a_100011220607_100000210755 [1,0,0,1,0,0|1,0,0]=3 22860 B11R2.55 Cc1cccnc1C2CC2 271570a_100011220607_100000751373 [1,0,0,1,0,0|2,0,0]=4 22861 B11R2.55 Cc1ccncc1C2CC2 271570a_100011220607_100000761580 [1,0,0,1,0,0|2,0,0]=4 22862 B11R2.55 Cc1cnccc1C2CC2 271570a_100011220607_100015191297 [1,0,0,1,0,0|2,0,0]=4 22863 B11R2.55 Cc1ncccc1C2CC2 271570a_100011220607_100000751574 [1,0,0,1,0,0|2,0,0]=4 22864 B11R2.55 Clc1ccccc1C2CC2 271570a_100011220607_100000764095 [1,0,0,1,0,0|0,0,0]=2 22865 B11R2.55 Clc1cccnc1C2CC2 271570a_100011220607_100011356963 [1,0,0,1,0,0|1,0,0]=3 22866 B11R2.55 Clc1ccncc1C2CC2 271570a_100011220607_100009995489 [1,0,0,1,0,0|1,0,0]=3 22867 B11R2.55 Clc1cnccc1C2CC2 271570a_100011220607_100000708259 [1,0,0,1,0,0|1,0,0]=3 22868 B11R2.55 Clc1ncccc1C2CC2 271570a_100011220607_100000036424 [1,0,0,1,0,0|1,0,0]=3 22869 B11R2.55 Clc1ncncc1C2CC2 271570a_100011220607_100000758962 [1,0,0,1,0,0|2,0,0]=4 22870 B11R2.55 Fc1ccccc1C2CC2 271570a_100011220607_100011215700 [1,0,0,1,0,0|0,1,0]=3 22871 B11R2.55 Fc1cccnc1C2CC2 271570a_100011220607_100000685392 [1,0,0,1,0,0|1,1,0]=4 22872 B11R2.55 Fc1ccncc1C2CC2 271570a_100011220607_100009820683 [1,0,0,1,0,0|1,1,0]=4 22873 B11R2.55 Fc1cnccc1C2CC2 271570a_100011220607_100000047030 [1,0,0,1,0,0|1,1,0]=4 22874 B11R2.55 Fc1ncccc1C2CC2 271570a_100011220607_100009816115 [1,0,0,1,0,0|1,1,0]=4 22875 B11R2.55 Nc1ccccc1C2CC2 271570a_100011220607_100000210017 [1,0,0,1,0,0|1,0,0]=3 22876 B11R2.55 Nc1cccnc1C2CC2 271570a_100011220607_100000688686 [1,0,0,1,0,0|2,0,0]=4 22877 B11R2.55 Nc1ccncc1C2CC2 271570a_100011220607_100000047001 [1,0,0,1,0,0|2,0,0]=4 22878 B11R2.55 Nc1cnccc1C2CC2 271570a_100011220607_100009815883 [1,0,0,1,0,0|2,0,0]=4 22879 B11R2.55 Nc1ncccc1C2CC2 271570a_100011220607_100000045569 [1,0,0,1,0,0|2,0,0]=4 22880 B11R2.55 O=c1[nH]cccc1C2CC2 271570a_100011220607_100000050042 [1,0,0,1,0,0|2,0,0]=4 22881 B11R2.55 O=c1cc[nH]cc1C2CC2 271570a_100011220607_100009998708 [1,0,0,1,0,0|2,0,0]=4 22882 B11R2.55 Oc1ccccc1C2CC2 271570a_100011220607_100000739446 [1,0,0,1,0,0|1,0,0]=3 22883 B11R2.55 Oc1ccccc1C2CC2 271570a_203496583355_100009819954 [1,0,0,1,0,0|1,0,0]=3 22884 B11R2.55 Oc1cccnc1C2CC2 271570a_100011220607_100000034122 [1,0,0,1,0,0|2,0,0]=4 22885 B11R2.55 Oc1cnccc1C2CC2 271570a_100011220607_100009817591 [1,0,0,1,0,0|2,0,0]=4 22886 B11R2.55 Oc1ncccc1C2CC2 271570a_203496583355_100009851976 [1,0,0,1,0,0|2,0,0]=4 22887 B11R2.55 S=c1cc[nH]cc1C2CC2 271570a_100011220607_200012280681 [1,0,0,1,0,0|2,0,0]=4 22888 B11R2.55 [O-][n+]1ccccc1C2CC2 271570a_100011220607_200000042595 [1,0,0,1,0,0|2,0,0]=4 22889 B11R2.106 Oc1cccc2c1CCC2 271570a_203496583355_100010343934 [1,0,0,1,0,0|1,0,0]=3 22890 B11R2.106 Oc1cccc2c1CCN2 271570a_203496583355_100009817896 [1,0,0,1,0,0|1,0,0]=3 22891 B11R2.106 Oc1cccc2c1CCO2 271570a_203496583355_100009819624 [1,0,0,1,0,0|2,0,0]=4 22892 B11R2.106 Oc1cccc2c1CNC2 271570a_203496583355_100000703859 [1,0,0,1,0,0|1,0,0]=3 22893 B11R2.106 Oc1cccc2c1COC2 271570a_203496583355_100010384907 [1,0,0,1,0,0|2,0,0]=4 22894 B11R2.106 Oc1cccc2c1NCC2 271570a_203496583355_100016995435 [1,0,0,1,0,0|2,0,0]=4 22895 B11R2.106 Oc1cccc2c1OCC2 271570a_203496583355_100009818991 [1,0,0,1,0,0|2,0,0]=4 22896 B11R2.106 Oc1ccnc2c1CCC2 271570a_203496583355_100000102697 [1,0,0,1,0,0|2,0,0]=4 22897 B11R2.106 Oc1nccc2c1CCN2 271570a_203496583355_100000104060 [1,0,0,1,0,0|2,0,0]=4 22898 B11R2.988 CNC1Cc2c1cccc2 7a_106832991635_100009813401 [1,0,0,1,0,0|1,0,0]=3 22899 B11R2.988 CSC1Cc2c1cccc2 62a_100009813401_200000210301 [1,0,0,1,0,0|2,0,0]=4 22900 B11R2.988 CSC1Cc2c1cccc2 62a_200000210301_100009813401 [1,0,0,1,0,0|2,0,0]=4 22901 B11R2.988 [13CH3]SC1Cc2c1cccc2 62a_100009813401_200025704644 [1,0,0,1,0,0|2,0,0]=4 22902 B11R2.988 [13CH3]SC1Cc2c1cccc2 62a_200025704644_100009813401 [1,0,0,1,0,0|2,0,0]=4 22903 B11R2.238 c1ccc(cc1)NC2CC2 34a_100000106764_100000211595 [1,0,0,1,0,0|2,0,0]=4 22904 B11R2.238 c1ccc(cc1)OC2CC2 34a_100000210340_100000211595 [1,0,0,1,0,0|2,0,0]=4 22905 B11R2.238 c1ccc(cc1)SC2CC2 62a_100000719477_100000211595 [1,0,0,1,0,0|2,0,0]=4 22906 B11R2.36 CN1CCc2ccsc2C1 2230a_100000694341_200000210301 [0,0,0,1,1,0|2,0,0]=4 22907 B11R2.36 CN1CCc2ccsc2C1 269982a_100000694341_200000210301 [0,0,0,1,1,0|2,0,0]=4 22908 B11R2.36 CN1CCc2ccsc2C1 34a_100000694341_200000210301 [0,0,0,1,1,0|2,0,0]=4 22909 B11R2.36 CN1CCc2sccc2C1 2230a_100015185043_200000210301 [0,0,0,1,1,0|2,0,0]=4 22910 B11R2.36 CN1CCc2sccc2C1 269982a_100015185043_200000210301 [0,0,0,1,1,0|2,0,0]=4 22911 B11R2.36 CN1CCc2sccc2C1 34a_100015185043_200000210301 [0,0,0,1,1,0|2,0,0]=4 22912 B11R2.36 [13CH3]N1CCc2ccsc2C1 2230a_100000694341_200025704644 [0,0,0,1,1,0|2,0,0]=4 22913 B11R2.36 [13CH3]N1CCc2ccsc2C1 269982a_100000694341_200025704644 [0,0,0,1,1,0|2,0,0]=4 22914 B11R2.36 [13CH3]N1CCc2ccsc2C1 34a_100000694341_200025704644 [0,0,0,1,1,0|2,0,0]=4 22915 B11R2.36 [13CH3]N1CCc2sccc2C1 2230a_100015185043_200025704644 [0,0,0,1,1,0|2,0,0]=4 22916 B11R2.36 [13CH3]N1CCc2sccc2C1 269982a_100015185043_200025704644 [0,0,0,1,1,0|2,0,0]=4 22917 B11R2.36 [13CH3]N1CCc2sccc2C1 34a_100015185043_200025704644 [0,0,0,1,1,0|2,0,0]=4 22918 B13R2.32 CC1c2ccccc2CCN1C 2230a_100011660714_200000210301 [0,1,0,1,0,0|1,0,0]=3 22919 B13R2.32 CC1c2ccccc2CCN1C 269982a_100011660714_200000210301 [0,1,0,1,0,0|1,0,0]=3 22920 B13R2.32 CC1c2ccccc2CCN1C 34a_100011660714_200000210301 [0,1,0,1,0,0|1,0,0]=3 22921 B13R2.32 CC1c2ccccc2CCN1[13CH3] 2230a_100011660714_200025704644 [0,1,0,1,0,0|1,0,0]=3 22922 B13R2.32 CC1c2ccccc2CCN1[13CH3] 269982a_100011660714_200025704644 [0,1,0,1,0,0|1,0,0]=3 22923 B13R2.32 CC1c2ccccc2CCN1[13CH3] 34a_100011660714_200025704644 [0,1,0,1,0,0|1,0,0]=3 22924 B13R2.32 Oc1ccc2c(c1F)CCNC2 271570a_203496583355_100015699739 [0,1,0,1,0,0|0,1,0]=3 22925 B13R2.32 Oc1ccc2c(c1O)CCCC2 271570a_203496583355_200010391107 [0,1,0,1,0,0|2,0,0]=4 22926 B13R2.54 CCN1Cc2cccc(c2C1)Cl 2230a_100000731892_100000210202 [0,1,0,1,0,0|2,0,0]=4 22927 B13R2.54 CCN1Cc2cccc(c2C1)Cl 269982a_100000731892_100000204670 [0,1,0,1,0,0|2,0,0]=4 22928 B13R2.54 CCN1Cc2cccc(c2C1)Cl 34a_100000731892_100000210202 [0,1,0,1,0,0|2,0,0]=4 22929 B13R2.54 CNC1Cc2cccc(c2C1)Br 270004a_106832991635_100010205903 [0,1,0,1,0,0|0,1,0]=3 22930 B13R2.54 CNC1Cc2cccc(c2C1)C 270004a_106832991635_100010637320 [0,1,0,1,0,0|1,0,0]=3 22931 B13R2.54 COC1Cc2cccc(c2C1)Br 34a_100010752598_200000210301 [0,1,0,1,0,0|1,1,0]=4 22932 B13R2.54 [13CH3]OC1Cc2cccc(c2C1)Br 34a_100010752598_200025704644 [0,1,0,1,0,0|1,1,0]=4 22933 B13R2.162 CN1CCc2cccc(c2C1)Br 2230a_100000687140_200000210301 [0,1,0,1,0,0|1,0,0]=3 22934 B13R2.162 CN1CCc2cccc(c2C1)Br 269982a_100000687140_200000210301 [0,1,0,1,0,0|1,0,0]=3 22935 B13R2.162 CN1CCc2cccc(c2C1)Br 34a_100000687140_200000210301 [0,1,0,1,0,0|1,0,0]=3 22936 B13R2.162 CN1CCc2cccc(c2C1)Cl 2230a_100011273781_200000210301 [0,1,0,1,0,0|1,0,0]=3 22937 B13R2.162 CN1CCc2cccc(c2C1)Cl 269982a_100011273781_200000210301 [0,1,0,1,0,0|1,0,0]=3 22938 B13R2.162 CN1CCc2cccc(c2C1)Cl 34a_100011273781_200000210301 [0,1,0,1,0,0|1,0,0]=3 22939 B13R2.162 CN1CCc2cccc(c2C1)F 2230a_100000695702_200000210301 [0,1,0,1,0,0|1,0,0]=3 22940 B13R2.162 CN1CCc2cccc(c2C1)F 269982a_100000695702_200000210301 [0,1,0,1,0,0|1,0,0]=3 22941 B13R2.162 CN1CCc2cccc(c2C1)F 34a_100000695702_200000210301 [0,1,0,1,0,0|1,0,0]=3 22942 B13R2.162 CN1CCc2cccc(c2C1)O 2230a_100016995156_200000210301 [0,1,0,1,0,0|1,0,0]=3 22943 B13R2.162 CN1CCc2cccc(c2C1)O 269982a_100016995156_200000210301 [0,1,0,1,0,0|1,0,0]=3 22944 B13R2.162 CN1CCc2cccc(c2C1)O 34a_100016995156_200000210301 [0,1,0,1,0,0|1,0,0]=3 22945 B13R2.162 [13CH3]N1CCc2cccc(c2C1)Br 2230a_100000687140_200025704644 [0,1,0,1,0,0|1,0,0]=3 22946 B13R2.162 [13CH3]N1CCc2cccc(c2C1)Br 269982a_100000687140_200025704644 [0,1,0,1,0,0|1,0,0]=3 22947 B13R2.162 [13CH3]N1CCc2cccc(c2C1)Br 34a_100000687140_200025704644 [0,1,0,1,0,0|1,0,0]=3 22948 B13R2.162 [13CH3]N1CCc2cccc(c2C1)Cl 2230a_100011273781_200025704644 [0,1,0,1,0,0|1,0,0]=3 22949 B13R2.162 [13CH3]N1CCc2cccc(c2C1)Cl 269982a_100011273781_200025704644 [0,1,0,1,0,0|1,0,0]=3 22950 B13R2.162 [13CH3]N1CCc2cccc(c2C1)Cl 34a_100011273781_200025704644 [0,1,0,1,0,0|1,0,0]=3 22951 B13R2.162 [13CH3]N1CCc2cccc(c2C1)F 2230a_100000695702_200025704644 [0,1,0,1,0,0|1,0,0]=3 22952 B13R2.162 [13CH3]N1CCc2cccc(c2C1)F 269982a_100000695702_200025704644 [0,1,0,1,0,0|1,0,0]=3 22953 B13R2.162 [13CH3]N1CCc2cccc(c2C1)F 34a_100000695702_200025704644 [0,1,0,1,0,0|1,0,0]=3 22954 B13R2.162 [13CH3]N1CCc2cccc(c2C1)O 2230a_100016995156_200025704644 [0,1,0,1,0,0|1,0,0]=3 22955 B13R2.162 [13CH3]N1CCc2cccc(c2C1)O 269982a_100016995156_200025704644 [0,1,0,1,0,0|1,0,0]=3 22956 B13R2.162 [13CH3]N1CCc2cccc(c2C1)O 34a_100016995156_200025704644 [0,1,0,1,0,0|1,0,0]=3 22957 B13R2.4820 Oc1cccc2c1OCCCC2 271570a_203496583355_100010333594 [0,1,0,1,0,0|2,0,0]=4 22958 B13R2.5325 Cc1cccc(c1Cl)NC2CC2 34a_100000765562_100000211595 [0,1,0,1,0,0|2,0,0]=4 22959 B13R2.5325 Cc1cccc(c1Cl)OC2CC2 34a_100000695629_100000211595 [0,1,0,1,0,0|2,0,0]=4 22960 B13R2.5325 Cc1cccc(c1Cl)SC2CC2 62a_200012352035_100000211595 [0,1,0,1,0,0|2,0,0]=4 22961 B13R2.5325 Clc1c(cccc1NC2CC2)Br 34a_100000687075_100000211595 [0,1,0,1,0,0|2,0,0]=4 22962 B13R2.5325 Clc1c(cccc1OC2CC2)Br 34a_100010187913_100000211595 [0,1,0,1,0,0|2,0,0]=4 22963 B13R2.5325 Clc1c(cccc1OC2CC2)I 34a_100000049636_100000211595 [0,1,0,1,0,0|2,0,0]=4 22964 B13R2.5325 Clc1c(cccc1SC2CC2)Br 62a_100010142854_100000211595 [0,1,0,1,0,0|2,0,0]=4 22965 B13R2.5325 Clc1cccc(c1Cl)NC2CC2 34a_100000185733_100000211595 [0,1,0,1,0,0|2,0,0]=4 22966 B13R2.5325 Clc1cccc(c1Cl)OC2CC2 34a_100000211076_100000211595 [0,1,0,1,0,0|2,0,0]=4 22967 B13R2.5325 Clc1cccc(c1Cl)SC2CC2 62a_100011215384_100000211595 [0,1,0,1,0,0|2,0,0]=4 22968 B13R2.5325 Fc1cccc(c1Cl)NC2CC2 34a_100000692321_100000211595 [0,1,0,1,0,0|2,0,0]=4 22969 B13R2.5325 Fc1cccc(c1Cl)OC2CC2 34a_100000087408_100000211595 [0,1,0,1,0,0|2,0,0]=4 22970 B13R2.5325 Fc1cccc(c1Cl)SC2CC2 62a_200010234923_100000211595 [0,1,0,1,0,0|2,0,0]=4 22971 B13R2.5325 Nc1cccc(c1Cl)OC2CC2 34a_100012002038_100000211595 [0,1,0,1,0,0|2,0,0]=4 22972 B13R2.5325 Oc1cccc(c1Cl)NC2CC2 34a_100012002038_100000211595 [0,1,0,1,0,0|2,0,0]=4 22973 B13R2.43 CNC1Cc2ccc(cc2C1)Br 2230a_100015193702_200000210301 [0,1,0,1,0,0|1,0,0]=3 22974 B13R2.43 CNC1Cc2ccc(cc2C1)Br 270004a_106832991635_100010185598 [0,1,0,1,0,0|1,0,0]=3 22975 B13R2.43 CNC1Cc2ccc(cc2C1)Br 34a_100015193702_200000210301 [0,1,0,1,0,0|1,0,0]=3 22976 B13R2.43 CNC1Cc2ccc(cc2C1)I 2230a_100015191792_200000210301 [0,1,0,1,0,0|1,0,0]=3 22977 B13R2.43 COC1Cc2ccc(cc2C1)Br 34a_100010161096_200000210301 [0,1,0,1,0,0|2,0,0]=4 22978 B13R2.43 [13CH3]NC1Cc2ccc(cc2C1)Br 2230a_100015193702_200025704644 [0,1,0,1,0,0|1,0,0]=3 22979 B13R2.43 [13CH3]NC1Cc2ccc(cc2C1)Br 34a_100015193702_200025704644 [0,1,0,1,0,0|1,0,0]=3 22980 B13R2.43 [13CH3]NC1Cc2ccc(cc2C1)I 2230a_100015191792_200025704644 [0,1,0,1,0,0|1,0,0]=3 22981 B13R2.43 [13CH3]OC1Cc2ccc(cc2C1)Br 34a_100010161096_200025704644 [0,1,0,1,0,0|2,0,0]=4 22982 B13R2.155 CN1CCc2ccc(cc2C1)Br 2230a_100015189961_200000210301 [0,1,0,1,0,0|1,0,0]=3 22983 B13R2.155 CN1CCc2ccc(cc2C1)Br 269982a_100015189961_200000210301 [0,1,0,1,0,0|1,0,0]=3 22984 B13R2.155 CN1CCc2ccc(cc2C1)Br 34a_100015189961_200000210301 [0,1,0,1,0,0|1,0,0]=3 22985 B13R2.155 CN1CCc2ccc(cc2C1)Cl 2230a_100000690163_200000210301 [0,1,0,1,0,0|1,0,0]=3 22986 B13R2.155 CN1CCc2ccc(cc2C1)Cl 269982a_100000690163_200000210301 [0,1,0,1,0,0|1,0,0]=3 22987 B13R2.155 CN1CCc2ccc(cc2C1)Cl 34a_100000690163_200000210301 [0,1,0,1,0,0|1,0,0]=3 22988 B13R2.155 CN1CCc2ccc(cc2C1)F 2230a_100000755980_200000210301 [0,1,0,1,0,0|1,0,0]=3 22989 B13R2.155 CN1CCc2ccc(cc2C1)F 269982a_100000755980_200000210301 [0,1,0,1,0,0|1,0,0]=3 22990 B13R2.155 CN1CCc2ccc(cc2C1)F 34a_100000755980_200000210301 [0,1,0,1,0,0|1,0,0]=3 22991 B13R2.155 CN1CCc2ccc(cc2C1)O 2230a_100015185785_200000210301 [0,1,0,1,0,0|1,0,0]=3 22992 B13R2.155 CN1CCc2ccc(cc2C1)O 269982a_100015185785_200000210301 [0,1,0,1,0,0|1,0,0]=3 22993 B13R2.155 CN1CCc2ccc(cc2C1)O 271570a_203496583355_100010157284 [0,1,0,1,0,0|1,0,0]=3 22994 B13R2.155 CN1CCc2ccc(cc2C1)O 34a_100015185785_200000210301 [0,1,0,1,0,0|1,0,0]=3 22995 B13R2.155 CN1CCc2ncc(cc2C1)Cl 2230a_100016987718_200000210301 [0,1,0,1,0,0|2,0,0]=4 22996 B13R2.155 CN1CCc2ncc(cc2C1)Cl 269982a_100016987718_200000210301 [0,1,0,1,0,0|2,0,0]=4 22997 B13R2.155 Cc1ccc2c(c1)CN(CC2)C 2230a_100011255368_200000210301 [0,1,0,1,0,0|1,0,0]=3 22998 B13R2.155 Cc1ccc2c(c1)CN(CC2)C 269982a_100011255368_200000210301 [0,1,0,1,0,0|1,0,0]=3 22999 B13R2.155 Cc1ccc2c(c1)CN(CC2)C 34a_100011255368_200000210301 [0,1,0,1,0,0|1,0,0]=3 23000 B13R2.155 Cc1ccc2c(c1)CN(CC2)[13CH3] 2230a_100011255368_200025704644 [0,1,0,1,0,0|1,0,0]=3 23001 B13R2.155 Cc1ccc2c(c1)CN(CC2)[13CH3] 269982a_100011255368_200025704644 [0,1,0,1,0,0|1,0,0]=3 23002 B13R2.155 Cc1ccc2c(c1)CN(CC2)[13CH3] 34a_100011255368_200025704644 [0,1,0,1,0,0|1,0,0]=3 23003 B13R2.155 [13CH3]N1CCc2ccc(cc2C1)Br 2230a_100015189961_200025704644 [0,1,0,1,0,0|1,0,0]=3 23004 B13R2.155 [13CH3]N1CCc2ccc(cc2C1)Br 269982a_100015189961_200025704644 [0,1,0,1,0,0|1,0,0]=3 23005 B13R2.155 [13CH3]N1CCc2ccc(cc2C1)Br 34a_100015189961_200025704644 [0,1,0,1,0,0|1,0,0]=3 23006 B13R2.155 [13CH3]N1CCc2ccc(cc2C1)Cl 2230a_100000690163_200025704644 [0,1,0,1,0,0|1,0,0]=3 23007 B13R2.155 [13CH3]N1CCc2ccc(cc2C1)Cl 269982a_100000690163_200025704644 [0,1,0,1,0,0|1,0,0]=3 23008 B13R2.155 [13CH3]N1CCc2ccc(cc2C1)Cl 34a_100000690163_200025704644 [0,1,0,1,0,0|1,0,0]=3 23009 B13R2.155 [13CH3]N1CCc2ccc(cc2C1)F 2230a_100000755980_200025704644 [0,1,0,1,0,0|1,0,0]=3 23010 B13R2.155 [13CH3]N1CCc2ccc(cc2C1)F 269982a_100000755980_200025704644 [0,1,0,1,0,0|1,0,0]=3 23011 B13R2.155 [13CH3]N1CCc2ccc(cc2C1)F 34a_100000755980_200025704644 [0,1,0,1,0,0|1,0,0]=3 23012 B13R2.155 [13CH3]N1CCc2ccc(cc2C1)O 2230a_100015185785_200025704644 [0,1,0,1,0,0|1,0,0]=3 23013 B13R2.155 [13CH3]N1CCc2ccc(cc2C1)O 269982a_100015185785_200025704644 [0,1,0,1,0,0|1,0,0]=3 23014 B13R2.155 [13CH3]N1CCc2ccc(cc2C1)O 34a_100015185785_200025704644 [0,1,0,1,0,0|1,0,0]=3 23015 B13R2.155 [13CH3]N1CCc2ncc(cc2C1)Cl 2230a_100016987718_200025704644 [0,1,0,1,0,0|2,0,0]=4 23016 B13R2.155 [13CH3]N1CCc2ncc(cc2C1)Cl 269982a_100016987718_200025704644 [0,1,0,1,0,0|2,0,0]=4 23017 B13R2.328 CC1CN(Cc2c1cccc2)C 2230a_100015190047_200000210301 [0,1,0,1,0,0|1,0,0]=3 23018 B13R2.328 CC1CN(Cc2c1cccc2)C 269982a_100015190047_200000210301 [0,1,0,1,0,0|1,0,0]=3 23019 B13R2.328 CC1CN(Cc2c1cccc2)C 34a_100015190047_200000210301 [0,1,0,1,0,0|1,0,0]=3 23020 B13R2.328 CC1CN(Cc2c1cccc2)[13CH3] 2230a_100015190047_200025704644 [0,1,0,1,0,0|1,0,0]=3 23021 B13R2.328 CC1CN(Cc2c1cccc2)[13CH3] 269982a_100015190047_200025704644 [0,1,0,1,0,0|1,0,0]=3 23022 B13R2.328 CC1CN(Cc2c1cccc2)[13CH3] 34a_100015190047_200025704644 [0,1,0,1,0,0|1,0,0]=3 23023 B13R2.328 Cc1cc(cc2c1CCNC2)O 271570a_203496583355_100016068755 [0,1,0,1,0,0|1,0,0]=3 23024 B13R2.5400 Cc1ccc(c(c1)Cl)NC2CC2 34a_100000210522_100000211595 [0,1,0,1,0,0|2,0,0]=4 23025 B13R2.5400 Cc1ccc(c(c1)Cl)OC2CC2 34a_100000749699_100000211595 [0,1,0,1,0,0|2,0,0]=4 23026 B13R2.5400 Cc1ccc(c(c1)Cl)SC2CC2 62a_100011263221_100000211595 [0,1,0,1,0,0|2,0,0]=4 23027 B13R2.5400 Clc1cc(ccc1NC2CC2)Br 34a_100000211467_100000211595 [0,1,0,1,0,0|2,0,0]=4 23028 B13R2.5400 Clc1cc(ccc1NC2CC2)I 34a_100011218065_100000211595 [0,1,0,1,0,0|2,0,0]=4 23029 B13R2.5400 Clc1cc(ccc1OC2CC2)Br 34a_100000186472_100000211595 [0,1,0,1,0,0|2,0,0]=4 23030 B13R2.5400 Clc1cc(ccc1OC2CC2)I 34a_100012360047_100000211595 [0,1,0,1,0,0|2,0,0]=4 23031 B13R2.5400 Clc1cc(ccc1SC2CC2)Br 62a_100011216062_100000211595 [0,1,0,1,0,0|2,0,0]=4 23032 B13R2.5400 Clc1ccc(c(c1)Cl)NC2CC2 34a_100000185861_100000211595 [0,1,0,1,0,0|2,0,0]=4 23033 B13R2.5400 Clc1ccc(c(c1)Cl)OC2CC2 34a_100015191787_100000211595 [0,1,0,1,0,0|2,0,0]=4 23034 B13R2.5400 Clc1ccc(c(c1)Cl)SC2CC2 62a_100000699841_100000211595 [0,1,0,1,0,0|2,0,0]=4 23035 B13R2.5400 Fc1ccc(c(c1)Cl)NC2CC2 34a_100000212003_100000211595 [0,1,0,1,0,0|2,0,0]=4 23036 B13R2.5400 Fc1ccc(c(c1)Cl)OC2CC2 34a_100000212004_100000211595 [0,1,0,1,0,0|2,0,0]=4 23037 B13R2.5400 Fc1ccc(c(c1)Cl)SC2CC2 62a_100000733362_100000211595 [0,1,0,1,0,0|2,0,0]=4 23038 B13R2.5400 Nc1ccc(c(c1)Cl)OC2CC2 34a_100000744943_100000211595 [0,1,0,1,0,0|2,0,0]=4 23039 B13R2.5400 Nc1ccc(c(c1)Cl)SC2CC2 62a_100000761885_100000211595 [0,1,0,1,0,0|2,0,0]=4 23040 B13R2.5400 Oc1ccc(c(c1)Cl)NC2CC2 34a_100011215599_100000211595 [0,1,0,1,0,0|2,0,0]=4 23041 B13R2.5400 Oc1ccc(c(c1)Cl)SC2CC2 62a_100000047559_100000211595 [0,1,0,1,0,0|2,0,0]=4 23042 B13R2.1 CNCC1CCc2c1cccc2 2230a_100020632452_200000210301 [0,1,0,1,0,0|1,0,0]=3 23043 B13R2.1 CNCC1CCc2c1cccc2 34a_100020632452_200000210301 [0,1,0,1,0,0|1,0,0]=3 23044 B13R2.1 CNCc1coc2c1cccc2 207a_100102657272_100000688544 [0,1,0,1,0,0|1,0,1]=4 23045 B13R2.1 CNCc1coc2c1cccc2 270004a_106832991635_100000688544 [0,1,0,1,0,0|1,0,1]=4 23046 B13R2.1 CNCc1csc2c1cccc2 207a_100102657272_100000239721 [0,1,0,1,0,0|1,0,1]=4 23047 B13R2.1 CNCc1csc2c1cccc2 2230a_106832991635_200000742921 [0,1,0,1,0,0|1,0,1]=4 23048 B13R2.1 CNCc1csc2c1cccc2 270004a_106832991635_100000239721 [0,1,0,1,0,0|1,0,1]=4 23049 B13R2.1 CNCc1csc2c1cccc2 34a_100000744611_200000210301 [0,1,0,1,0,0|1,0,1]=4 23050 B13R2.1 CNCc1csc2c1cccc2 34a_100102657272_200000742921 [0,1,0,1,0,0|1,0,1]=4 23051 B13R2.1 CNCc1n[nH]c2c1cccc2 207a_100102657272_100000059708 [0,1,0,1,0,0|1,0,1]=4 23052 B13R2.1 CNCc1n[nH]c2c1cccc2 270004a_106832991635_100000059708 [0,1,0,1,0,0|1,0,1]=4 23053 B13R2.1 CNCc1noc2c1cccc2 34a_100102657272_100009813815 [0,1,0,1,0,0|1,0,1]=4 23054 B13R2.1 CNCc1noc2c1cccc2 7a_106832991635_100009813815 [0,1,0,1,0,0|1,0,1]=4 23055 B13R2.1 CNCn1nnc2c1cccc2 2230a_106832991635_100000033166 [0,1,0,1,0,0|2,0,0]=4 23056 B13R2.1 CNCn1nnc2c1cccc2 34a_100102657272_100000033166 [0,1,0,1,0,0|2,0,0]=4 23057 B13R2.1 CNCn1nnc2c1cccc2 7a_106832991635_100000033166 [0,1,0,1,0,0|2,0,0]=4 23058 B13R2.1 [13CH3]NCC1CCc2c1cccc2 2230a_100020632452_200025704644 [0,1,0,1,0,0|1,0,0]=3 23059 B13R2.1 [13CH3]NCC1CCc2c1cccc2 34a_100020632452_200025704644 [0,1,0,1,0,0|1,0,0]=3 23060 B13R2.1 [13CH3]NCc1csc2c1cccc2 34a_100000744611_200025704644 [0,1,0,1,0,0|1,0,1]=4 23061 B13R2.33 CN1CCc2ccccc2CC1 2230a_100000044199_200000210301 [0,1,0,1,0,0|1,0,0]=3 23062 B13R2.33 CN1CCc2ccccc2CC1 269982a_100000044199_200000210301 [0,1,0,1,0,0|1,0,0]=3 23063 B13R2.33 CN1CCc2ccccc2CC1 34a_100000044199_200000210301 [0,1,0,1,0,0|1,0,0]=3 23064 B13R2.33 [13CH3]N1CCc2ccccc2CC1 2230a_100000044199_200025704644 [0,1,0,1,0,0|1,0,0]=3 23065 B13R2.33 [13CH3]N1CCc2ccccc2CC1 269982a_100000044199_200025704644 [0,1,0,1,0,0|1,0,0]=3 23066 B13R2.33 [13CH3]N1CCc2ccccc2CC1 34a_100000044199_200025704644 [0,1,0,1,0,0|1,0,0]=3 23067 B13R2.45 CNC1Cc2ccccc2C1O 2230a_106832991635_100000211646 [0,1,0,1,0,0|1,0,0]=3 23068 B13R2.45 CNC1Cc2ccccc2C1O 34a_100102657272_100000211646 [0,1,0,1,0,0|1,0,0]=3 23069 B13R2.45 COC1Cc2ccccc2C1O 34a_100138415774_100000211646 [0,1,0,1,0,0|2,0,0]=4 23070 B13R2.45 CSC1Cc2ccccc2C1=O 62a_100011218503_200000210301 [0,1,0,1,0,0|2,0,0]=4 23071 B13R2.45 CSC1Cc2ccccc2C1=O 62a_200000210301_100011218503 [0,1,0,1,0,0|2,0,0]=4 23072 B13R2.45 CSC1Cc2ccccc2C1O 62a_100000211646_200000210301 [0,1,0,1,0,0|2,0,0]=4 23073 B13R2.45 CSC1Cc2ccccc2C1O 62a_200000210301_100000211646 [0,1,0,1,0,0|2,0,0]=4 23074 B13R2.45 [13CH3]SC1Cc2ccccc2C1=O 62a_100011218503_200025704644 [0,1,0,1,0,0|2,0,0]=4 23075 B13R2.45 [13CH3]SC1Cc2ccccc2C1=O 62a_200025704644_100011218503 [0,1,0,1,0,0|2,0,0]=4 23076 B13R2.45 [13CH3]SC1Cc2ccccc2C1O 62a_100000211646_200025704644 [0,1,0,1,0,0|2,0,0]=4 23077 B13R2.45 [13CH3]SC1Cc2ccccc2C1O 62a_200025704644_100000211646 [0,1,0,1,0,0|2,0,0]=4 23078 B13R2.57 CCN1CCc2ccccc2C1 2230a_100000188457_100000210202 [0,1,0,1,0,0|1,0,0]=3 23079 B13R2.57 CCN1CCc2ccccc2C1 269982a_100000188457_100000204670 [0,1,0,1,0,0|1,0,0]=3 23080 B13R2.57 CCN1CCc2ccccc2C1 34a_100000188457_100000210202 [0,1,0,1,0,0|1,0,0]=3 23081 B13R2.57 CCN1CCc2cccnc2C1 2230a_100015206102_100000210202 [0,1,0,1,0,0|2,0,0]=4 23082 B13R2.57 CCN1CCc2cccnc2C1 269982a_100015206102_100000204670 [0,1,0,1,0,0|2,0,0]=4 23083 B13R2.57 CCN1CCc2ccncc2C1 2230a_100015190008_100000210202 [0,1,0,1,0,0|2,0,0]=4 23084 B13R2.57 CCN1CCc2ccncc2C1 269982a_100015190008_100000204670 [0,1,0,1,0,0|2,0,0]=4 23085 B13R2.57 CCN1CCc2cnccc2C1 2230a_100020645890_100000210202 [0,1,0,1,0,0|2,0,0]=4 23086 B13R2.57 CCN1CCc2cnccc2C1 269982a_100020645890_100000204670 [0,1,0,1,0,0|2,0,0]=4 23087 B13R2.57 CCN1CCc2ncccc2C1 2230a_100000699647_100000210202 [0,1,0,1,0,0|2,0,0]=4 23088 B13R2.57 CCN1CCc2ncccc2C1 269982a_100000699647_100000204670 [0,1,0,1,0,0|2,0,0]=4 23089 B13R2.57 CNC1CCc2ccccc2C1 2230a_100000748446_200000210301 [0,1,0,1,0,0|1,0,0]=3 23090 B13R2.57 CNC1CCc2ccccc2C1 270004a_106832991635_100000212018 [0,1,0,1,0,0|1,0,0]=3 23091 B13R2.57 CNC1CCc2ccccc2C1 34a_100000748446_200000210301 [0,1,0,1,0,0|1,0,0]=3 23092 B13R2.57 CNC1COc2ccccc2C1 2230a_100000739546_200000210301 [0,1,0,1,0,0|1,0,0]=3 23093 B13R2.57 CNC1COc2ccccc2C1 270004a_106832991635_100000048293 [0,1,0,1,0,0|1,0,0]=3 23094 B13R2.57 COC1CCc2ccccc2C1 34a_100011216300_200000210301 [0,1,0,1,0,0|2,0,0]=4 23095 B13R2.57 COC1CCc2ccccc2C1 7a_100011216300_200000210301 [0,1,0,1,0,0|2,0,0]=4 23096 B13R2.57 COC1Cc2ccccc2CO1 34a_200000095866_200000210301 [0,1,0,1,0,0|2,0,0]=4 23097 B13R2.57 FCN1CCc2ccccc2C1 269982a_100000188457_100015361967 [0,1,0,1,0,0|1,0,0]=3 23098 B13R2.57 FCN1CCc2ccccc2C1 34a_100000188457_100015361967 [0,1,0,1,0,0|1,0,0]=3 23099 B13R2.57 FCN1CCc2cccnc2C1 269982a_100015206102_100015361967 [0,1,0,1,0,0|2,0,0]=4 23100 B13R2.57 FCN1CCc2ccncc2C1 269982a_100015190008_100015361967 [0,1,0,1,0,0|2,0,0]=4 23101 B13R2.57 FCN1CCc2cnccc2C1 269982a_100020645890_100015361967 [0,1,0,1,0,0|2,0,0]=4 23102 B13R2.57 FCN1CCc2ncccc2C1 269982a_100000699647_100015361967 [0,1,0,1,0,0|2,0,0]=4 23103 B13R2.57 [13CH3]NC1CCc2ccccc2C1 2230a_100000748446_200025704644 [0,1,0,1,0,0|1,0,0]=3 23104 B13R2.57 [13CH3]NC1CCc2ccccc2C1 34a_100000748446_200025704644 [0,1,0,1,0,0|1,0,0]=3 23105 B13R2.57 [13CH3]NC1COc2ccccc2C1 2230a_100000739546_200025704644 [0,1,0,1,0,0|1,0,0]=3 23106 B13R2.57 [13CH3]OC1CCc2ccccc2C1 34a_100011216300_200025704644 [0,1,0,1,0,0|2,0,0]=4 23107 B13R2.57 [13CH3]OC1CCc2ccccc2C1 7a_100011216300_200025704644 [0,1,0,1,0,0|2,0,0]=4 23108 B13R2.57 [13CH3]OC1Cc2ccccc2CO1 34a_200000095866_200025704644 [0,1,0,1,0,0|2,0,0]=4 23109 B13R2.1613 C=Cc1cccc2c1CCCC2 271570a_100011290941_100012354034 [0,1,0,1,0,0|2,0,0]=4 23110 B13R2.1613 C=Cc1cccc2c1CCNC2 271570a_100011290941_100000756787 [0,1,0,1,0,0|1,0,0]=3 23111 B13R2.1613 CNc1cccc2c1CCCC2 2230a_100000212177_200000210301 [0,1,0,1,0,0|2,0,0]=4 23112 B13R2.1613 CNc1cccc2c1CCCC2 34a_100000212177_200000210301 [0,1,0,1,0,0|2,0,0]=4 23113 B13R2.1613 COc1cccc2c1CCCC2 34a_100011202923_200000210301 [0,1,0,1,0,0|2,0,0]=4 23114 B13R2.1613 COc1cccc2c1CCCC2 7a_100011202923_200000210301 [0,1,0,1,0,0|2,0,0]=4 23115 B13R2.1613 COc1cccc2c1CCNC2 34a_100020635587_200000210301 [0,1,0,1,0,0|1,0,0]=3 23116 B13R2.1613 CSc1cccc2c1CCCC2 62a_100012354034_200000210301 [0,1,0,1,0,0|2,0,0]=4 23117 B13R2.1613 CSc1cccc2c1CCCC2 62a_200000210301_100012354034 [0,1,0,1,0,0|2,0,0]=4 23118 B13R2.1613 CSc1cccc2c1CCNC2 62a_100000756787_200000210301 [0,1,0,1,0,0|1,0,0]=3 23119 B13R2.1613 CSc1cccc2c1CCNC2 62a_200000210301_100000756787 [0,1,0,1,0,0|1,0,0]=3 23120 B13R2.1613 [13CH3]Nc1cccc2c1CCCC2 2230a_100000212177_200025704644 [0,1,0,1,0,0|2,0,0]=4 23121 B13R2.1613 [13CH3]Nc1cccc2c1CCCC2 34a_100000212177_200025704644 [0,1,0,1,0,0|2,0,0]=4 23122 B13R2.1613 [13CH3]Oc1cccc2c1CCCC2 34a_100011202923_200025704644 [0,1,0,1,0,0|2,0,0]=4 23123 B13R2.1613 [13CH3]Oc1cccc2c1CCCC2 7a_100011202923_200025704644 [0,1,0,1,0,0|2,0,0]=4 23124 B13R2.1613 [13CH3]Oc1cccc2c1CCNC2 34a_100020635587_200025704644 [0,1,0,1,0,0|1,0,0]=3 23125 B13R2.1613 [13CH3]Sc1cccc2c1CCCC2 62a_100012354034_200025704644 [0,1,0,1,0,0|2,0,0]=4 23126 B13R2.1613 [13CH3]Sc1cccc2c1CCCC2 62a_200025704644_100012354034 [0,1,0,1,0,0|2,0,0]=4 23127 B13R2.1613 [13CH3]Sc1cccc2c1CCNC2 62a_100000756787_200025704644 [0,1,0,1,0,0|1,0,0]=3 23128 B13R2.1613 [13CH3]Sc1cccc2c1CCNC2 62a_200025704644_100000756787 [0,1,0,1,0,0|1,0,0]=3 23129 B13R2.435 CC(=O)C1Cc2ccccc2C1 1458a_100000070787_100000753484 [0,1,0,1,0,0|2,0,0]=4 23130 B13R2.435 CC(=O)C1Cc2ccccc2C1 1458a_100000685393_200000210301 [0,1,0,1,0,0|2,0,0]=4 23131 B13R2.435 CC(=O)C1Cc2ccccc2O1 1458a_100000209886_200000210301 [0,1,0,1,0,0|2,0,0]=4 23132 B13R2.435 CC(=O)C1Cc2ccccc2S1 1458a_100000024912_200000210301 [0,1,0,1,0,0|2,0,0]=4 23133 B13R2.435 CN(C)C1Cc2ccccc2C1 2230a_100016990990_200000210301 [0,1,0,1,0,0|1,0,0]=3 23134 B13R2.435 CN(C)C1Cc2ccccc2C1 269982a_100016990990_200000210301 [0,1,0,1,0,0|1,0,0]=3 23135 B13R2.435 CN(C)C1Cc2ccccc2C1 269982a_100102631434_100000753484 [0,1,0,1,0,0|1,0,0]=3 23136 B13R2.435 CN(C)C1Cc2ccccc2C1 34a_100016990990_200000210301 [0,1,0,1,0,0|1,0,0]=3 23137 B13R2.435 CN([13CH3])C1Cc2ccccc2C1 2230a_100016990990_200025704644 [0,1,0,1,0,0|1,0,0]=3 23138 B13R2.435 CN([13CH3])C1Cc2ccccc2C1 269982a_100016990990_200025704644 [0,1,0,1,0,0|1,0,0]=3 23139 B13R2.435 CN([13CH3])C1Cc2ccccc2C1 34a_100016990990_200025704644 [0,1,0,1,0,0|1,0,0]=3 23140 B13R2.435 [13CH3]C(=O)C1Cc2ccccc2C1 1458a_100000685393_200025704644 [0,1,0,1,0,0|2,0,0]=4 23141 B13R2.435 [13CH3]C(=O)C1Cc2ccccc2O1 1458a_100000209886_200025704644 [0,1,0,1,0,0|2,0,0]=4 23142 B13R2.435 [13CH3]C(=O)C1Cc2ccccc2S1 1458a_100000024912_200025704644 [0,1,0,1,0,0|2,0,0]=4 23143 B13R2.3587 Brc1ccccc1CNC2CC2 34a_100000212008_100000184730 [0,1,0,1,0,0|1,1,0]=4 23144 B13R2.3587 Brc1ccccc1CNC2CC2 34a_100000689332_100000211595 [0,1,0,1,0,0|1,1,0]=4 23145 B13R2.3587 Brc1ccccc1COC2CC2 34a_100000756307_100000211595 [0,1,0,1,0,0|1,1,0]=4 23146 B13R2.3587 Brc1ccccc1CSC2CC2 62a_100000184730_100000211595 [0,1,0,1,0,0|1,1,0]=4 23147 B13R2.3587 Brc1ccccc1NCC2CC2 34a_100000210017_100000742324 [0,1,0,1,0,0|1,1,0]=4 23148 B13R2.3587 Brc1ccccc1NCC2CO2 34a_100000210017_102125554688 [0,1,0,1,0,0|1,1,0]=4 23149 B13R2.3587 Brc1ccccc1OCC2CC2 34a_100000181306_100000742324 [0,1,0,1,0,0|1,1,0]=4 23150 B13R2.3587 Brc1ccccc1OCC2CC2 7a_100000181306_100000742324 [0,1,0,1,0,0|1,1,0]=4 23151 B13R2.3587 Brc1ccccc1OCC2CO2 34a_100000181306_102125554688 [0,1,0,1,0,0|1,1,0]=4 23152 B13R2.3587 Brc1ccccc1OCC2CO2 7a_100000181306_102125554688 [0,1,0,1,0,0|1,1,0]=4 23153 B13R2.3587 Brc1ccccc1OCC2CS2 7a_100000181306_100000031435 [0,1,0,1,0,0|1,1,0]=4 23154 B13R2.3587 Brc1ccccc1OC[C@@H]2CO2 7a_100000181306_100000745022 [0,1,0,1,0,0|1,1,0]=4 23155 B13R2.3587 Brc1ccccc1SCC2CC2 62a_100000695589_100000742324 [0,1,0,1,0,0|1,1,0]=4 23156 B13R2.3587 Brc1ccccc1SCC2CC2 62a_100000756562_100000695589 [0,1,0,1,0,0|1,1,0]=4 23157 B13R2.3587 Brc1ccccc1SCC2CO2 62a_100000695589_102125554688 [0,1,0,1,0,0|1,1,0]=4 23158 B13R2.3587 Brc1ccccc1SCC2CO2 62a_102125554688_100000695589 [0,1,0,1,0,0|1,1,0]=4 23159 B13R2.3587 Brc1ccccc1SCC2CS2 62a_100000031435_100000695589 [0,1,0,1,0,0|1,1,0]=4 23160 B13R2.3587 Brc1ccccc1SCC2CS2 62a_100000695589_100000031435 [0,1,0,1,0,0|1,1,0]=4 23161 B13R2.3587 Brc1ccccc1SC[C@@H]2CO2 62a_100000695589_100000745022 [0,1,0,1,0,0|1,1,0]=4 23162 B13R2.3587 Brc1ccccc1SC[C@@H]2CO2 62a_100000745022_100000695589 [0,1,0,1,0,0|1,1,0]=4 23163 B13R2.3587 Cc1ccccc1CNC2CC2 34a_100000174972_100000211595 [0,1,0,1,0,0|2,0,0]=4 23164 B13R2.3587 Cc1ccccc1CNC2CC2 34a_100000212008_100000211839 [0,1,0,1,0,0|2,0,0]=4 23165 B13R2.3587 Cc1ccccc1COC2CC2 34a_100000698903_100000211595 [0,1,0,1,0,0|2,0,0]=4 23166 B13R2.3587 Cc1ccccc1CSC2CC2 62a_100000211839_100000211595 [0,1,0,1,0,0|2,0,0]=4 23167 B13R2.3587 Cc1ccccc1NCC2CC2 34a_100015192222_100000742324 [0,1,0,1,0,0|2,0,0]=4 23168 B13R2.3587 Cc1ccccc1NCC2CO2 34a_100015192222_102125554688 [0,1,0,1,0,0|2,0,0]=4 23169 B13R2.3587 Cc1ccccc1OCC2CC2 34a_100000210338_100000742324 [0,1,0,1,0,0|2,0,0]=4 23170 B13R2.3587 Cc1ccccc1OCC2CC2 7a_100000210338_100000742324 [0,1,0,1,0,0|2,0,0]=4 23171 B13R2.3587 Cc1ccccc1OCC2CO2 34a_100000210338_102125554688 [0,1,0,1,0,0|2,0,0]=4 23172 B13R2.3587 Cc1ccccc1OCC2CO2 7a_100000210338_102125554688 [0,1,0,1,0,0|2,0,0]=4 23173 B13R2.3587 Cc1ccccc1OCC2CS2 7a_100000210338_100000031435 [0,1,0,1,0,0|2,0,0]=4 23174 B13R2.3587 Cc1ccccc1OC[C@@H]2CO2 7a_100000210338_100000745022 [0,1,0,1,0,0|2,0,0]=4 23175 B13R2.3587 Cc1ccccc1SCC2CC2 62a_100000210755_100000742324 [0,1,0,1,0,0|2,0,0]=4 23176 B13R2.3587 Cc1ccccc1SCC2CC2 62a_100000756562_100000210755 [0,1,0,1,0,0|2,0,0]=4 23177 B13R2.3587 Cc1ccccc1SCC2CO2 62a_100000210755_102125554688 [0,1,0,1,0,0|2,0,0]=4 23178 B13R2.3587 Cc1ccccc1SCC2CO2 62a_102125554688_100000210755 [0,1,0,1,0,0|2,0,0]=4 23179 B13R2.3587 Cc1ccccc1SCC2CS2 62a_100000031435_100000210755 [0,1,0,1,0,0|2,0,0]=4 23180 B13R2.3587 Cc1ccccc1SCC2CS2 62a_100000210755_100000031435 [0,1,0,1,0,0|2,0,0]=4 23181 B13R2.3587 Cc1ccccc1SC[C@@H]2CO2 62a_100000210755_100000745022 [0,1,0,1,0,0|2,0,0]=4 23182 B13R2.3587 Cc1ccccc1SC[C@@H]2CO2 62a_100000745022_100000210755 [0,1,0,1,0,0|2,0,0]=4 23183 B13R2.3587 Clc1ccccc1C#CC2CC2 271570a_200009880635_100000764095 [0,1,0,1,0,0|1,0,1]=4 23184 B13R2.3587 Clc1ccccc1C=CC2CC2 271570a_100102526188_100000764095 [0,1,0,1,0,0|1,0,1]=4 23185 B13R2.3587 Clc1ccccc1CNC2CC2 34a_100000174879_100000211595 [0,1,0,1,0,0|1,0,0]=3 23186 B13R2.3587 Clc1ccccc1CNC2CC2 34a_100000212008_100000187162 [0,1,0,1,0,0|1,0,0]=3 23187 B13R2.3587 Clc1ccccc1COC2CC2 34a_100000210847_100000211595 [0,1,0,1,0,0|1,0,0]=3 23188 B13R2.3587 Clc1ccccc1CSC2CC2 62a_100000187162_100000211595 [0,1,0,1,0,0|1,0,0]=3 23189 B13R2.3587 Clc1ccccc1NCC2CC2 34a_100000185783_100000742324 [0,1,0,1,0,0|1,0,0]=3 23190 B13R2.3587 Clc1ccccc1NCC2CO2 34a_100000185783_102125554688 [0,1,0,1,0,0|1,0,0]=3 23191 B13R2.3587 Clc1ccccc1OCC2CC2 34a_100000210172_100000742324 [0,1,0,1,0,0|1,0,0]=3 23192 B13R2.3587 Clc1ccccc1OCC2CC2 7a_100000210172_100000742324 [0,1,0,1,0,0|1,0,0]=3 23193 B13R2.3587 Clc1ccccc1OCC2CO2 34a_100000210172_102125554688 [0,1,0,1,0,0|1,0,0]=3 23194 B13R2.3587 Clc1ccccc1OCC2CO2 7a_100000210172_102125554688 [0,1,0,1,0,0|1,0,0]=3 23195 B13R2.3587 Clc1ccccc1OCC2CS2 7a_100000210172_100000031435 [0,1,0,1,0,0|1,0,0]=3 23196 B13R2.3587 Clc1ccccc1OC[C@@H]2CO2 7a_100000210172_100000745022 [0,1,0,1,0,0|1,0,0]=3 23197 B13R2.3587 Clc1ccccc1SCC2CC2 62a_100000756562_100000764095 [0,1,0,1,0,0|1,0,0]=3 23198 B13R2.3587 Clc1ccccc1SCC2CC2 62a_100000764095_100000742324 [0,1,0,1,0,0|1,0,0]=3 23199 B13R2.3587 Clc1ccccc1SCC2CO2 62a_100000764095_102125554688 [0,1,0,1,0,0|1,0,0]=3 23200 B13R2.3587 Clc1ccccc1SCC2CO2 62a_102125554688_100000764095 [0,1,0,1,0,0|1,0,0]=3 23201 B13R2.3587 Clc1ccccc1SCC2CS2 62a_100000031435_100000764095 [0,1,0,1,0,0|1,0,0]=3 23202 B13R2.3587 Clc1ccccc1SCC2CS2 62a_100000764095_100000031435 [0,1,0,1,0,0|1,0,0]=3 23203 B13R2.3587 Clc1ccccc1SC[C@@H]2CO2 62a_100000745022_100000764095 [0,1,0,1,0,0|1,0,0]=3 23204 B13R2.3587 Clc1ccccc1SC[C@@H]2CO2 62a_100000764095_100000745022 [0,1,0,1,0,0|1,0,0]=3 23205 B13R2.3587 Clc1cccnc1COC2CC2 34a_100012002383_100000211595 [0,1,0,1,0,0|2,0,0]=4 23206 B13R2.3587 Clc1cccnc1CSC2CC2 62a_100000099807_100000211595 [0,1,0,1,0,0|2,0,0]=4 23207 B13R2.3587 Clc1cccnc1OCC2CC2 34a_100011290957_100000742324 [0,1,0,1,0,0|2,0,0]=4 23208 B13R2.3587 Clc1cccnc1OCC2CO2 34a_100011290957_102125554688 [0,1,0,1,0,0|2,0,0]=4 23209 B13R2.3587 Clc1cccnc1SCC2CC2 62a_100000756562_100011356963 [0,1,0,1,0,0|2,0,0]=4 23210 B13R2.3587 Clc1cccnc1SCC2CC2 62a_100011356963_100000742324 [0,1,0,1,0,0|2,0,0]=4 23211 B13R2.3587 Clc1cccnc1SCC2CO2 62a_100011356963_102125554688 [0,1,0,1,0,0|2,0,0]=4 23212 B13R2.3587 Clc1cccnc1SCC2CO2 62a_102125554688_100011356963 [0,1,0,1,0,0|2,0,0]=4 23213 B13R2.3587 Clc1cccnc1SCC2CS2 62a_100000031435_100011356963 [0,1,0,1,0,0|2,0,0]=4 23214 B13R2.3587 Clc1cccnc1SCC2CS2 62a_100011356963_100000031435 [0,1,0,1,0,0|2,0,0]=4 23215 B13R2.3587 Clc1cccnc1SC[C@@H]2CO2 62a_100000745022_100011356963 [0,1,0,1,0,0|2,0,0]=4 23216 B13R2.3587 Clc1cccnc1SC[C@@H]2CO2 62a_100011356963_100000745022 [0,1,0,1,0,0|2,0,0]=4 23217 B13R2.3587 Clc1ccncc1COC2CC2 34a_100000117392_100000211595 [0,1,0,1,0,0|2,0,0]=4 23218 B13R2.3587 Clc1ccncc1OCC2CC2 34a_100011996695_100000742324 [0,1,0,1,0,0|2,0,0]=4 23219 B13R2.3587 Clc1ccncc1OCC2CO2 34a_100011996695_102125554688 [0,1,0,1,0,0|2,0,0]=4 23220 B13R2.3587 Clc1ccncc1SCC2CC2 62a_100000756562_100009995489 [0,1,0,1,0,0|2,0,0]=4 23221 B13R2.3587 Clc1ccncc1SCC2CC2 62a_100009995489_100000742324 [0,1,0,1,0,0|2,0,0]=4 23222 B13R2.3587 Clc1ccncc1SCC2CO2 62a_100009995489_102125554688 [0,1,0,1,0,0|2,0,0]=4 23223 B13R2.3587 Clc1ccncc1SCC2CO2 62a_102125554688_100009995489 [0,1,0,1,0,0|2,0,0]=4 23224 B13R2.3587 Clc1ccncc1SCC2CS2 62a_100000031435_100009995489 [0,1,0,1,0,0|2,0,0]=4 23225 B13R2.3587 Clc1ccncc1SCC2CS2 62a_100009995489_100000031435 [0,1,0,1,0,0|2,0,0]=4 23226 B13R2.3587 Clc1ccncc1SC[C@@H]2CO2 62a_100000745022_100009995489 [0,1,0,1,0,0|2,0,0]=4 23227 B13R2.3587 Clc1ccncc1SC[C@@H]2CO2 62a_100009995489_100000745022 [0,1,0,1,0,0|2,0,0]=4 23228 B13R2.3587 Clc1cnccc1CSC2CC2 62a_100000763264_100000211595 [0,1,0,1,0,0|2,0,0]=4 23229 B13R2.3587 Clc1cnccc1OCC2CC2 34a_100011997054_100000742324 [0,1,0,1,0,0|2,0,0]=4 23230 B13R2.3587 Clc1cnccc1OCC2CO2 34a_100011997054_102125554688 [0,1,0,1,0,0|2,0,0]=4 23231 B13R2.3587 Clc1cnccc1SCC2CC2 62a_100000708259_100000742324 [0,1,0,1,0,0|2,0,0]=4 23232 B13R2.3587 Clc1cnccc1SCC2CC2 62a_100000756562_100000708259 [0,1,0,1,0,0|2,0,0]=4 23233 B13R2.3587 Clc1cnccc1SCC2CO2 62a_100000708259_102125554688 [0,1,0,1,0,0|2,0,0]=4 23234 B13R2.3587 Clc1cnccc1SCC2CO2 62a_102125554688_100000708259 [0,1,0,1,0,0|2,0,0]=4 23235 B13R2.3587 Clc1cnccc1SCC2CS2 62a_100000031435_100000708259 [0,1,0,1,0,0|2,0,0]=4 23236 B13R2.3587 Clc1cnccc1SCC2CS2 62a_100000708259_100000031435 [0,1,0,1,0,0|2,0,0]=4 23237 B13R2.3587 Clc1cnccc1SC[C@@H]2CO2 62a_100000708259_100000745022 [0,1,0,1,0,0|2,0,0]=4 23238 B13R2.3587 Clc1cnccc1SC[C@@H]2CO2 62a_100000745022_100000708259 [0,1,0,1,0,0|2,0,0]=4 23239 B13R2.3587 Clc1ncccc1CNC2CC2 34a_100000212008_100000045678 [0,1,0,1,0,0|2,0,0]=4 23240 B13R2.3587 Clc1ncccc1CNC2CC2 34a_100015189234_100000211595 [0,1,0,1,0,0|2,0,0]=4 23241 B13R2.3587 Clc1ncccc1COC2CC2 34a_100000748726_100000211595 [0,1,0,1,0,0|2,0,0]=4 23242 B13R2.3587 Clc1ncccc1CSC2CC2 62a_100000045678_100000211595 [0,1,0,1,0,0|2,0,0]=4 23243 B13R2.3587 Clc1ncccc1OCC2CC2 34a_100000757616_100000742324 [0,1,0,1,0,0|2,0,0]=4 23244 B13R2.3587 Clc1ncccc1OCC2CC2 7a_100000757616_100000742324 [0,1,0,1,0,0|2,0,0]=4 23245 B13R2.3587 Clc1ncccc1OCC2CO2 34a_100000757616_102125554688 [0,1,0,1,0,0|2,0,0]=4 23246 B13R2.3587 Clc1ncccc1OCC2CO2 7a_100000757616_102125554688 [0,1,0,1,0,0|2,0,0]=4 23247 B13R2.3587 Clc1ncccc1OCC2CS2 7a_100000757616_100000031435 [0,1,0,1,0,0|2,0,0]=4 23248 B13R2.3587 Clc1ncccc1OC[C@@H]2CO2 7a_100000757616_100000745022 [0,1,0,1,0,0|2,0,0]=4 23249 B13R2.3587 Clc1ncccc1SCC2CC2 62a_100000036424_100000742324 [0,1,0,1,0,0|2,0,0]=4 23250 B13R2.3587 Clc1ncccc1SCC2CC2 62a_100000756562_100000036424 [0,1,0,1,0,0|2,0,0]=4 23251 B13R2.3587 Clc1ncccc1SCC2CO2 62a_100000036424_102125554688 [0,1,0,1,0,0|2,0,0]=4 23252 B13R2.3587 Clc1ncccc1SCC2CO2 62a_102125554688_100000036424 [0,1,0,1,0,0|2,0,0]=4 23253 B13R2.3587 Clc1ncccc1SCC2CS2 62a_100000031435_100000036424 [0,1,0,1,0,0|2,0,0]=4 23254 B13R2.3587 Clc1ncccc1SCC2CS2 62a_100000036424_100000031435 [0,1,0,1,0,0|2,0,0]=4 23255 B13R2.3587 Clc1ncccc1SC[C@@H]2CO2 62a_100000036424_100000745022 [0,1,0,1,0,0|2,0,0]=4 23256 B13R2.3587 Clc1ncccc1SC[C@@H]2CO2 62a_100000745022_100000036424 [0,1,0,1,0,0|2,0,0]=4 23257 B13R2.3587 Fc1ccccc1CNC2CC2 34a_100000174869_100000211595 [0,1,0,1,0,0|1,1,0]=4 23258 B13R2.3587 Fc1ccccc1CNC2CC2 34a_100000212008_100000211605 [0,1,0,1,0,0|1,1,0]=4 23259 B13R2.3587 Fc1ccccc1COC2CC2 34a_100000211962_100000211595 [0,1,0,1,0,0|1,1,0]=4 23260 B13R2.3587 Fc1ccccc1CSC2CC2 62a_100000211605_100000211595 [0,1,0,1,0,0|1,1,0]=4 23261 B13R2.3587 Fc1ccccc1NCC2CC2 34a_100000210422_100000742324 [0,1,0,1,0,0|1,1,0]=4 23262 B13R2.3587 Fc1ccccc1NCC2CO2 34a_100000210422_102125554688 [0,1,0,1,0,0|1,1,0]=4 23263 B13R2.3587 Fc1ccccc1OCC2CC2 34a_100000210171_100000742324 [0,1,0,1,0,0|1,1,0]=4 23264 B13R2.3587 Fc1ccccc1OCC2CC2 7a_100000210171_100000742324 [0,1,0,1,0,0|1,1,0]=4 23265 B13R2.3587 Fc1ccccc1OCC2CO2 34a_100000210171_102125554688 [0,1,0,1,0,0|1,1,0]=4 23266 B13R2.3587 Fc1ccccc1OCC2CO2 7a_100000210171_102125554688 [0,1,0,1,0,0|1,1,0]=4 23267 B13R2.3587 Fc1ccccc1OCC2CS2 7a_100000210171_100000031435 [0,1,0,1,0,0|1,1,0]=4 23268 B13R2.3587 Fc1ccccc1OC[C@@H]2CO2 7a_100000210171_100000745022 [0,1,0,1,0,0|1,1,0]=4 23269 B13R2.3587 Fc1ccccc1SCC2CC2 62a_100000756562_100011215700 [0,1,0,1,0,0|1,1,0]=4 23270 B13R2.3587 Fc1ccccc1SCC2CC2 62a_100011215700_100000742324 [0,1,0,1,0,0|1,1,0]=4 23271 B13R2.3587 Fc1ccccc1SCC2CO2 62a_100011215700_102125554688 [0,1,0,1,0,0|1,1,0]=4 23272 B13R2.3587 Fc1ccccc1SCC2CO2 62a_102125554688_100011215700 [0,1,0,1,0,0|1,1,0]=4 23273 B13R2.3587 Fc1ccccc1SCC2CS2 62a_100000031435_100011215700 [0,1,0,1,0,0|1,1,0]=4 23274 B13R2.3587 Fc1ccccc1SCC2CS2 62a_100011215700_100000031435 [0,1,0,1,0,0|1,1,0]=4 23275 B13R2.3587 Fc1ccccc1SC[C@@H]2CO2 62a_100000745022_100011215700 [0,1,0,1,0,0|1,1,0]=4 23276 B13R2.3587 Fc1ccccc1SC[C@@H]2CO2 62a_100011215700_100000745022 [0,1,0,1,0,0|1,1,0]=4 23277 B13R2.3587 Ic1ccccc1CNC2CC2 34a_100000212008_100011215278 [0,1,0,1,0,0|1,1,0]=4 23278 B13R2.3587 Ic1ccccc1COC2CC2 34a_100000187465_100000211595 [0,1,0,1,0,0|1,1,0]=4 23279 B13R2.3587 Ic1ccccc1CSC2CC2 62a_100011216222_100000211595 [0,1,0,1,0,0|1,1,0]=4 23280 B13R2.3587 Ic1ccccc1NCC2CC2 34a_100000210053_100000742324 [0,1,0,1,0,0|1,1,0]=4 23281 B13R2.3587 Ic1ccccc1NCC2CO2 34a_100000210053_102125554688 [0,1,0,1,0,0|1,1,0]=4 23282 B13R2.3587 Ic1ccccc1OCC2CC2 34a_100000739446_100000742324 [0,1,0,1,0,0|1,1,0]=4 23283 B13R2.3587 Ic1ccccc1OCC2CC2 7a_100000739446_100000742324 [0,1,0,1,0,0|1,1,0]=4 23284 B13R2.3587 Ic1ccccc1OCC2CO2 34a_100000739446_102125554688 [0,1,0,1,0,0|1,1,0]=4 23285 B13R2.3587 Ic1ccccc1OCC2CO2 7a_100000739446_102125554688 [0,1,0,1,0,0|1,1,0]=4 23286 B13R2.3587 Ic1ccccc1OCC2CS2 7a_100000739446_100000031435 [0,1,0,1,0,0|1,1,0]=4 23287 B13R2.3587 Ic1ccccc1OC[C@@H]2CO2 7a_100000739446_100000745022 [0,1,0,1,0,0|1,1,0]=4 23288 B13R2.3587 Nc1ccccc1COC2CC2 34a_100000212039_100000211595 [0,1,0,1,0,0|2,0,0]=4 23289 B13R2.3587 Nc1ccccc1OCC2CC2 34a_100000185747_100000742324 [0,1,0,1,0,0|2,0,0]=4 23290 B13R2.3587 Nc1ccccc1OCC2CC2 7a_100000185747_100000742324 [0,1,0,1,0,0|2,0,0]=4 23291 B13R2.3587 Nc1ccccc1OCC2CO2 34a_100000185747_102125554688 [0,1,0,1,0,0|2,0,0]=4 23292 B13R2.3587 Nc1ccccc1OCC2CO2 7a_100000185747_102125554688 [0,1,0,1,0,0|2,0,0]=4 23293 B13R2.3587 Nc1ccccc1OCC2CS2 7a_100000185747_100000031435 [0,1,0,1,0,0|2,0,0]=4 23294 B13R2.3587 Nc1ccccc1OC[C@@H]2CO2 7a_100000185747_100000745022 [0,1,0,1,0,0|2,0,0]=4 23295 B13R2.3587 Nc1ccccc1SCC2CC2 62a_100000210017_100000742324 [0,1,0,1,0,0|2,0,0]=4 23296 B13R2.3587 Nc1ccccc1SCC2CC2 62a_100000756562_100000210017 [0,1,0,1,0,0|2,0,0]=4 23297 B13R2.3587 Nc1ccccc1SCC2CO2 62a_100000210017_102125554688 [0,1,0,1,0,0|2,0,0]=4 23298 B13R2.3587 Nc1ccccc1SCC2CO2 62a_102125554688_100000210017 [0,1,0,1,0,0|2,0,0]=4 23299 B13R2.3587 Nc1ccccc1SCC2CS2 62a_100000031435_100000210017 [0,1,0,1,0,0|2,0,0]=4 23300 B13R2.3587 Nc1ccccc1SCC2CS2 62a_100000210017_100000031435 [0,1,0,1,0,0|2,0,0]=4 23301 B13R2.3587 Nc1ccccc1SC[C@@H]2CO2 62a_100000210017_100000745022 [0,1,0,1,0,0|2,0,0]=4 23302 B13R2.3587 Nc1ccccc1SC[C@@H]2CO2 62a_100000745022_100000210017 [0,1,0,1,0,0|2,0,0]=4 23303 B13R2.3587 Oc1ccccc1CNC2CC2 34a_100000185550_100000211595 [0,1,0,1,0,0|2,0,0]=4 23304 B13R2.3587 Oc1ccccc1NCC2CC2 34a_100000185747_100000742324 [0,1,0,1,0,0|2,0,0]=4 23305 B13R2.3587 Oc1ccccc1NCC2CO2 34a_100000185747_102125554688 [0,1,0,1,0,0|2,0,0]=4 23306 B13R2.3587 Oc1ccccc1OCC2CC2 271570a_203496583355_100011316338 [0,1,0,1,0,0|2,0,0]=4 23307 B13R2.3587 Oc1ccccc1SCC2CC2 62a_100000739446_100000742324 [0,1,0,1,0,0|2,0,0]=4 23308 B13R2.3587 Oc1ccccc1SCC2CC2 62a_100000756562_100000739446 [0,1,0,1,0,0|2,0,0]=4 23309 B13R2.3587 Oc1ccccc1SCC2CO2 62a_100000739446_102125554688 [0,1,0,1,0,0|2,0,0]=4 23310 B13R2.3587 Oc1ccccc1SCC2CO2 62a_102125554688_100000739446 [0,1,0,1,0,0|2,0,0]=4 23311 B13R2.3587 Oc1ccccc1SCC2CS2 62a_100000031435_100000739446 [0,1,0,1,0,0|2,0,0]=4 23312 B13R2.3587 Oc1ccccc1SCC2CS2 62a_100000739446_100000031435 [0,1,0,1,0,0|2,0,0]=4 23313 B13R2.3587 Oc1ccccc1SC[C@@H]2CO2 62a_100000739446_100000745022 [0,1,0,1,0,0|2,0,0]=4 23314 B13R2.3587 Oc1ccccc1SC[C@@H]2CO2 62a_100000745022_100000739446 [0,1,0,1,0,0|2,0,0]=4 23315 B13R2.5179 CN1CCc2c(cccc2C1)Br 2230a_100000756787_200000210301 [0,1,0,1,0,0|0,1,0]=3 23316 B13R2.5179 CN1CCc2c(cccc2C1)Br 269982a_100000756787_200000210301 [0,1,0,1,0,0|0,1,0]=3 23317 B13R2.5179 CN1CCc2c(cccc2C1)Br 34a_100000756787_200000210301 [0,1,0,1,0,0|0,1,0]=3 23318 B13R2.5179 CN1CCc2c(cccc2C1)Cl 2230a_100015184967_200000210301 [0,1,0,1,0,0|0,0,0]=2 23319 B13R2.5179 CN1CCc2c(cccc2C1)Cl 269982a_100015184967_200000210301 [0,1,0,1,0,0|0,0,0]=2 23320 B13R2.5179 CN1CCc2c(cccc2C1)Cl 34a_100015184967_200000210301 [0,1,0,1,0,0|0,0,0]=2 23321 B13R2.5179 CN1CCc2c(cccc2C1)F 2230a_100016987532_200000210301 [0,1,0,1,0,0|0,1,0]=3 23322 B13R2.5179 CN1CCc2c(cccc2C1)F 269982a_100016987532_200000210301 [0,1,0,1,0,0|0,1,0]=3 23323 B13R2.5179 CN1CCc2c(cccc2C1)F 34a_100016987532_200000210301 [0,1,0,1,0,0|0,1,0]=3 23324 B13R2.5179 CN1CCc2c(cccc2C1)O 2230a_100020635587_200000210301 [0,1,0,1,0,0|1,0,0]=3 23325 B13R2.5179 CN1CCc2c(cccc2C1)O 269982a_100020635587_200000210301 [0,1,0,1,0,0|1,0,0]=3 23326 B13R2.5179 CN1CCc2c(cccc2C1)O 34a_100020635587_200000210301 [0,1,0,1,0,0|1,0,0]=3 23327 B13R2.5179 Cc1cccc2c1CCN(C2)C 2230a_200000752276_200000210301 [0,1,0,1,0,0|1,0,0]=3 23328 B13R2.5179 Cc1cccc2c1CCN(C2)C 269982a_200000752276_200000210301 [0,1,0,1,0,0|1,0,0]=3 23329 B13R2.5179 Cc1cccc2c1CCN(C2)C 34a_200000752276_200000210301 [0,1,0,1,0,0|1,0,0]=3 23330 B13R2.5179 Cc1cccc2c1CCN(C2)[13CH3] 2230a_200000752276_200025704644 [0,1,0,1,0,0|1,0,0]=3 23331 B13R2.5179 Cc1cccc2c1CCN(C2)[13CH3] 269982a_200000752276_200025704644 [0,1,0,1,0,0|1,0,0]=3 23332 B13R2.5179 Cc1cccc2c1CCN(C2)[13CH3] 34a_200000752276_200025704644 [0,1,0,1,0,0|1,0,0]=3 23333 B13R2.5179 O=C1CCc2c(cccc2C1)O 271570a_203496583355_100010138409 [0,1,0,1,0,0|2,0,0]=4 23334 B13R2.5179 [13CH3]N1CCc2c(cccc2C1)Br 2230a_100000756787_200025704644 [0,1,0,1,0,0|0,1,0]=3 23335 B13R2.5179 [13CH3]N1CCc2c(cccc2C1)Br 269982a_100000756787_200025704644 [0,1,0,1,0,0|0,1,0]=3 23336 B13R2.5179 [13CH3]N1CCc2c(cccc2C1)Br 34a_100000756787_200025704644 [0,1,0,1,0,0|0,1,0]=3 23337 B13R2.5179 [13CH3]N1CCc2c(cccc2C1)Cl 2230a_100015184967_200025704644 [0,1,0,1,0,0|0,0,0]=2 23338 B13R2.5179 [13CH3]N1CCc2c(cccc2C1)Cl 269982a_100015184967_200025704644 [0,1,0,1,0,0|0,0,0]=2 23339 B13R2.5179 [13CH3]N1CCc2c(cccc2C1)Cl 34a_100015184967_200025704644 [0,1,0,1,0,0|0,0,0]=2 23340 B13R2.5179 [13CH3]N1CCc2c(cccc2C1)F 2230a_100016987532_200025704644 [0,1,0,1,0,0|0,1,0]=3 23341 B13R2.5179 [13CH3]N1CCc2c(cccc2C1)F 269982a_100016987532_200025704644 [0,1,0,1,0,0|0,1,0]=3 23342 B13R2.5179 [13CH3]N1CCc2c(cccc2C1)F 34a_100016987532_200025704644 [0,1,0,1,0,0|0,1,0]=3 23343 B13R2.5179 [13CH3]N1CCc2c(cccc2C1)O 2230a_100020635587_200025704644 [0,1,0,1,0,0|1,0,0]=3 23344 B13R2.5179 [13CH3]N1CCc2c(cccc2C1)O 269982a_100020635587_200025704644 [0,1,0,1,0,0|1,0,0]=3 23345 B13R2.5179 [13CH3]N1CCc2c(cccc2C1)O 34a_100020635587_200025704644 [0,1,0,1,0,0|1,0,0]=3 23346 B13R2.9 CNC1CCc2c1cccc2Br 2230a_100000751068_200000210301 [0,1,0,1,0,0|0,1,0]=3 23347 B13R2.9 CNC1CCc2c1cccc2Br 269862a_106832991636_100000744605 [0,1,0,1,0,0|0,1,0]=3 23348 B13R2.9 CNC1CCc2c1cccc2Br 34a_100000751068_200000210301 [0,1,0,1,0,0|0,1,0]=3 23349 B13R2.9 CNC1CCc2c1cccc2C 269862a_106832991636_100000752022 [0,1,0,1,0,0|1,0,0]=3 23350 B13R2.9 CNC1CCc2c1cccc2Cl 2230a_100000743989_200000210301 [0,1,0,1,0,0|0,0,0]=2 23351 B13R2.9 CNC1CCc2c1cccc2Cl 269862a_106832991636_100000743251 [0,1,0,1,0,0|0,0,0]=2 23352 B13R2.9 CNC1CCc2c1cccc2Cl 34a_100000743989_200000210301 [0,1,0,1,0,0|0,0,0]=2 23353 B13R2.9 CNC1CCc2c1cccc2F 269862a_106832991636_100000743250 [0,1,0,1,0,0|0,1,0]=3 23354 B13R2.9 CNC1CCc2c1cccc2I 269862a_106832991636_100000049675 [0,1,0,1,0,0|0,1,0]=3 23355 B13R2.9 CNC1COc2c1cccc2Br 2230a_100025715106_200000210301 [0,1,0,1,0,0|0,1,0]=3 23356 B13R2.9 CNC1COc2c1cccc2F 2230a_200011230594_200000210301 [0,1,0,1,0,0|0,1,0]=3 23357 B13R2.9 CNC1COc2c1cccc2F 34a_200011230594_200000210301 [0,1,0,1,0,0|0,1,0]=3 23358 B13R2.9 CN[C@H]1CCc2c1cccc2C 2230a_100134618347_200000210301 [0,1,0,1,0,0|1,0,0]=3 23359 B13R2.9 CN[C@H]1CCc2c1cccc2C 34a_100134618347_200000210301 [0,1,0,1,0,0|1,0,0]=3 23360 B13R2.9 CN[C@H]1CCc2c1cccc2F 2230a_100015193782_200000210301 [0,1,0,1,0,0|0,1,0]=3 23361 B13R2.9 CN[C@H]1CCc2c1cccc2F 34a_100015193782_200000210301 [0,1,0,1,0,0|0,1,0]=3 23362 B13R2.9 CN[C@H]1CCc2c1cccc2O 2230a_100134616730_200000210301 [0,1,0,1,0,0|1,0,0]=3 23363 B13R2.9 CN[C@H]1CCc2c1cccc2O 34a_100134616730_200000210301 [0,1,0,1,0,0|1,0,0]=3 23364 B13R2.9 CN[C@H]1COc2c1cccc2Cl 2230a_100102463758_200000210301 [0,1,0,1,0,0|0,0,0]=2 23365 B13R2.9 CN[C@H]1COc2c1cccc2Cl 34a_100102463758_200000210301 [0,1,0,1,0,0|0,0,0]=2 23366 B13R2.9 COC1CCc2c1cccc2C 34a_100011467954_200000210301 [0,1,0,1,0,0|2,0,0]=4 23367 B13R2.9 COC1CCc2c1cccc2C 7a_100011467954_200000210301 [0,1,0,1,0,0|2,0,0]=4 23368 B13R2.9 COC1CCc2c1nccc2Cl 7a_100009868430_200000210301 [0,1,0,1,0,0|2,0,0]=4 23369 B13R2.9 CO[C@H]1CCc2c1cccc2Br 34a_100010080924_200000210301 [0,1,0,1,0,0|1,1,0]=4 23370 B13R2.9 CO[C@H]1CCc2c1cccc2Br 7a_100010080924_200000210301 [0,1,0,1,0,0|1,1,0]=4 23371 B13R2.9 Cc1cccc2c1CCC2O[13CH3] 34a_100011467954_200025704644 [0,1,0,1,0,0|2,0,0]=4 23372 B13R2.9 Cc1cccc2c1CCC2O[13CH3] 7a_100011467954_200025704644 [0,1,0,1,0,0|2,0,0]=4 23373 B13R2.9 Cc1cccc2c1CC[C@@H]2N[13CH3] 2230a_100134618347_200025704644 [0,1,0,1,0,0|1,0,0]=3 23374 B13R2.9 Cc1cccc2c1CC[C@@H]2N[13CH3] 34a_100134618347_200025704644 [0,1,0,1,0,0|1,0,0]=3 23375 B13R2.9 [13CH3]NC1CCc2c1cccc2Br 2230a_100000751068_200025704644 [0,1,0,1,0,0|0,1,0]=3 23376 B13R2.9 [13CH3]NC1CCc2c1cccc2Br 34a_100000751068_200025704644 [0,1,0,1,0,0|0,1,0]=3 23377 B13R2.9 [13CH3]NC1CCc2c1cccc2Cl 2230a_100000743989_200025704644 [0,1,0,1,0,0|0,0,0]=2 23378 B13R2.9 [13CH3]NC1CCc2c1cccc2Cl 34a_100000743989_200025704644 [0,1,0,1,0,0|0,0,0]=2 23379 B13R2.9 [13CH3]NC1COc2c1cccc2Br 2230a_100025715106_200025704644 [0,1,0,1,0,0|0,1,0]=3 23380 B13R2.9 [13CH3]NC1COc2c1cccc2F 2230a_200011230594_200025704644 [0,1,0,1,0,0|0,1,0]=3 23381 B13R2.9 [13CH3]NC1COc2c1cccc2F 34a_200011230594_200025704644 [0,1,0,1,0,0|0,1,0]=3 23382 B13R2.9 [13CH3]N[C@H]1CCc2c1cccc2F 2230a_100015193782_200025704644 [0,1,0,1,0,0|0,1,0]=3 23383 B13R2.9 [13CH3]N[C@H]1CCc2c1cccc2F 34a_100015193782_200025704644 [0,1,0,1,0,0|0,1,0]=3 23384 B13R2.9 [13CH3]N[C@H]1CCc2c1cccc2O 2230a_100134616730_200025704644 [0,1,0,1,0,0|1,0,0]=3 23385 B13R2.9 [13CH3]N[C@H]1CCc2c1cccc2O 34a_100134616730_200025704644 [0,1,0,1,0,0|1,0,0]=3 23386 B13R2.9 [13CH3]N[C@H]1COc2c1cccc2Cl 2230a_100102463758_200025704644 [0,1,0,1,0,0|0,0,0]=2 23387 B13R2.9 [13CH3]N[C@H]1COc2c1cccc2Cl 34a_100102463758_200025704644 [0,1,0,1,0,0|0,0,0]=2 23388 B13R2.9 [13CH3]OC1CCc2c1nccc2Cl 7a_100009868430_200025704644 [0,1,0,1,0,0|2,0,0]=4 23389 B13R2.9 [13CH3]O[C@H]1CCc2c1cccc2Br 34a_100010080924_200025704644 [0,1,0,1,0,0|1,1,0]=4 23390 B13R2.9 [13CH3]O[C@H]1CCc2c1cccc2Br 7a_100010080924_200025704644 [0,1,0,1,0,0|1,1,0]=4 23391 B13R2.18 Clc1ccccc1C2=CCCC2 271570a_100000089523_100000764095 [0,1,0,1,0,0|1,0,1]=4 23392 B13R2.18 Clc1ccccc1C2=CCOC2 271570a_100009872500_100000764095 [0,1,0,1,0,0|1,0,1]=4 23393 B13R2.18 Clc1ccccc1C2=COCC2 271570a_100000118173_100000764095 [0,1,0,1,0,0|1,0,1]=4 23394 B13R2.18 Oc1ccccc1C2CCCN2 271570a_203496583355_100000686366 [0,1,0,1,0,0|2,0,0]=4 23395 B13R2.18 Oc1ccccc1C2CCNC2 271570a_203496583355_100010170462 [0,1,0,1,0,0|1,0,0]=3 23396 B13R2.18 Oc1ccccc1N2CCCC2 271570a_203496583355_100011821364 [0,1,0,1,0,0|2,0,0]=4 23397 B13R2.26 CCCN1Cc2ccccc2C1 2230a_100000752595_100000210303 [0,1,0,1,0,0|2,0,0]=4 23398 B13R2.26 CCCN1Cc2ccccc2C1 269982a_100000752595_100000210303 [0,1,0,1,0,0|2,0,0]=4 23399 B13R2.26 CCCN1Cc2ccccc2C1 34a_100000752595_100000210303 [0,1,0,1,0,0|2,0,0]=4 23400 B13R2.26 CCNC1Cc2ccccc2C1 2230a_100000753258_100000210202 [0,1,0,1,0,0|1,0,0]=3 23401 B13R2.26 CCNC1Cc2ccccc2C1 34a_100000753258_100000210202 [0,1,0,1,0,0|1,0,0]=3 23402 B13R2.26 CCOC1Cc2ccccc2C1 34a_100011215286_100000210202 [0,1,0,1,0,0|2,0,0]=4 23403 B13R2.26 CCOC1Cc2ccccc2C1 34a_100121572206_100000753484 [0,1,0,1,0,0|2,0,0]=4 23404 B13R2.26 CCSC1Cc2ccccc2C1 62a_100000210202_100000753484 [0,1,0,1,0,0|2,0,0]=4 23405 B13R2.26 CNCC1Cc2ccccc2C1 2230a_100000757167_200000210301 [0,1,0,1,0,0|1,0,0]=3 23406 B13R2.26 CNCC1Cc2ccccc2C1 34a_100000757167_200000210301 [0,1,0,1,0,0|1,0,0]=3 23407 B13R2.26 CNCC1Cc2ccccc2O1 2230a_100015207006_200000210301 [0,1,0,1,0,0|1,0,0]=3 23408 B13R2.26 CNCC1Cc2ccccc2O1 34a_100015207006_200000210301 [0,1,0,1,0,0|1,0,0]=3 23409 B13R2.26 CNCc1cc2ccccc2[nH]1 270004a_106832991635_100000051030 [0,1,0,1,0,0|1,0,1]=4 23410 B13R2.26 CNCc1cc2ccccc2o1 207a_100102657272_100000229944 [0,1,0,1,0,0|1,0,1]=4 23411 B13R2.26 CNCc1cc2ccccc2o1 270004a_106832991635_100000229944 [0,1,0,1,0,0|1,0,1]=4 23412 B13R2.26 CNCc1cc2ccccc2s1 207a_100102657272_100000686906 [0,1,0,1,0,0|1,0,1]=4 23413 B13R2.26 CNCc1cc2ccccc2s1 2230a_100015187092_200000210301 [0,1,0,1,0,0|1,0,1]=4 23414 B13R2.26 CNCc1cc2ccccc2s1 270004a_106832991635_100000686906 [0,1,0,1,0,0|1,0,1]=4 23415 B13R2.26 CNCc1nc2ccccc2[nH]1 207a_100102657272_100000185668 [0,1,0,1,0,0|1,0,1]=4 23416 B13R2.26 CNCc1nc2ccccc2[nH]1 2230a_106832991635_100000737899 [0,1,0,1,0,0|1,0,1]=4 23417 B13R2.26 CNCc1nc2ccccc2[nH]1 270004a_106832991635_100000185668 [0,1,0,1,0,0|1,0,1]=4 23418 B13R2.26 CNCc1nc2ccccc2[nH]1 7a_106832991635_100000737899 [0,1,0,1,0,0|1,0,1]=4 23419 B13R2.26 CNCc1nc2ccccc2o1 2230a_106832991635_100000195508 [0,1,0,1,0,0|1,0,1]=4 23420 B13R2.26 CNCc1nc2ccccc2o1 34a_100102657272_200012361514 [0,1,0,1,0,0|1,0,1]=4 23421 B13R2.26 CNCc1nc2ccccc2o1 7a_106832991635_100000195508 [0,1,0,1,0,0|1,0,1]=4 23422 B13R2.26 CNCc1nc2ccccc2s1 2230a_106832991635_100000766747 [0,1,0,1,0,0|1,0,1]=4 23423 B13R2.26 CNCc1nc2ccccc2s1 270004a_106832991635_100011204187 [0,1,0,1,0,0|1,0,1]=4 23424 B13R2.26 CNCc1nc2ccccc2s1 34a_100102657272_100011217541 [0,1,0,1,0,0|1,0,1]=4 23425 B13R2.26 CNCc1nc2ccccc2s1 7a_106832991635_100011217541 [0,1,0,1,0,0|1,0,1]=4 23426 B13R2.26 COCC1Cc2ccccc2C1 34a_100000720471_200000210301 [0,1,0,1,0,0|2,0,0]=4 23427 B13R2.26 COCC1Cc2ccccc2O1 34a_100011273944_200000210301 [0,1,0,1,0,0|2,0,0]=4 23428 B13R2.26 COCN1Cc2ccccc2C1 2230a_100000752595_100000766300 [0,1,0,1,0,0|2,0,0]=4 23429 B13R2.26 COCN1Cc2ccccc2C1 269982a_100000752595_100000766300 [0,1,0,1,0,0|2,0,0]=4 23430 B13R2.26 COC[C@@H]1Cc2ccccc2N1 34a_100011830367_200000210301 [0,1,0,1,0,0|2,0,0]=4 23431 B13R2.26 CSCN1Cc2ccccc2C1 2230a_100000752595_100011218213 [0,1,0,1,0,0|2,0,0]=4 23432 B13R2.26 CSCN1Cc2ccccc2C1 269982a_100000752595_100011218213 [0,1,0,1,0,0|2,0,0]=4 23433 B13R2.26 CSCN1Cc2ccccc2C1 34a_100000752595_100011218213 [0,1,0,1,0,0|2,0,0]=4 23434 B13R2.26 FCNC1Cc2ccccc2C1 34a_100000753258_100015361967 [0,1,0,1,0,0|1,0,0]=3 23435 B13R2.26 FCOC1Cc2ccccc2C1 34a_100011215286_100015361967 [0,1,0,1,0,0|2,0,0]=4 23436 B13R2.26 FCSC1Cc2ccccc2C1 62a_100015361967_100000753484 [0,1,0,1,0,0|2,0,0]=4 23437 B13R2.26 [13CH3]NCC1Cc2ccccc2C1 2230a_100000757167_200025704644 [0,1,0,1,0,0|1,0,0]=3 23438 B13R2.26 [13CH3]NCC1Cc2ccccc2C1 34a_100000757167_200025704644 [0,1,0,1,0,0|1,0,0]=3 23439 B13R2.26 [13CH3]NCC1Cc2ccccc2O1 2230a_100015207006_200025704644 [0,1,0,1,0,0|1,0,0]=3 23440 B13R2.26 [13CH3]NCC1Cc2ccccc2O1 34a_100015207006_200025704644 [0,1,0,1,0,0|1,0,0]=3 23441 B13R2.26 [13CH3]NCc1cc2ccccc2s1 2230a_100015187092_200025704644 [0,1,0,1,0,0|1,0,1]=4 23442 B13R2.26 [13CH3]OCC1Cc2ccccc2C1 34a_100000720471_200025704644 [0,1,0,1,0,0|2,0,0]=4 23443 B13R2.26 [13CH3]OCC1Cc2ccccc2O1 34a_100011273944_200025704644 [0,1,0,1,0,0|2,0,0]=4 23444 B13R2.26 [13CH3]OC[C@@H]1Cc2ccccc2N1 34a_100011830367_200025704644 [0,1,0,1,0,0|2,0,0]=4 23445 B13R2.342 NC1CCCc2c1cccc2O 271570a_203496583355_100020639248 [0,1,0,1,0,0|2,0,0]=4 23446 B13R2.342 O=C1NCCc2c1cccc2O 271570a_203496583355_100000695023 [0,1,0,1,0,0|1,0,1]=4 23447 B13R2.342 Oc1cccc2c1CCCC2O 271570a_203496583355_100009815610 [0,1,0,1,0,0|2,0,0]=4 23448 B13R2.567 CNC1CC1c2ccccc2F 2230a_100000753450_200000210301 [0,1,0,1,0,0|0,1,0]=3 23449 B13R2.567 CNC1CC1c2ccccc2F 34a_100000753450_200000210301 [0,1,0,1,0,0|0,1,0]=3 23450 B13R2.567 [13CH3]NC1CC1c2ccccc2F 2230a_100000753450_200025704644 [0,1,0,1,0,0|0,1,0]=3 23451 B13R2.567 [13CH3]NC1CC1c2ccccc2F 34a_100000753450_200025704644 [0,1,0,1,0,0|0,1,0]=3 23452 B13R2.1028 CCCSC1Cc2c1cccc2 62a_100000210303_100009813401 [0,1,0,1,0,0|2,0,0]=4 23453 B13R2.1028 CCCSC1Cc2c1cccc2 62a_100009813401_100000210303 [0,1,0,1,0,0|2,0,0]=4 23454 B13R2.1028 CCOCC1Cc2c1cccc2 34a_100012476685_100000210202 [0,1,0,1,0,0|2,0,0]=4 23455 B13R2.1028 CCOCC1Cc2c1cccc2 7a_100012476685_100000210202 [0,1,0,1,0,0|2,0,0]=4 23456 B13R2.1028 COCSC1Cc2c1cccc2 62a_100000766300_100009813401 [0,1,0,1,0,0|2,0,0]=4 23457 B13R2.1028 COCSC1Cc2c1cccc2 62a_100009813401_100000766300 [0,1,0,1,0,0|2,0,0]=4 23458 B13R2.1028 CSCSC1Cc2c1cccc2 62a_100009813401_100011218213 [0,1,0,1,0,0|2,0,0]=4 23459 B13R2.1028 CSCSC1Cc2c1cccc2 62a_100011218213_100009813401 [0,1,0,1,0,0|2,0,0]=4 23460 B13R2.1028 FCOCC1Cc2c1cccc2 34a_100012476685_100015361967 [0,1,0,1,0,0|2,0,0]=4 23461 B13R2.1028 FCOCC1Cc2c1cccc2 7a_100012476685_100015361967 [0,1,0,1,0,0|2,0,0]=4 23462 B13R2.5225 Brc1ccccc1CN2CCC2 269982a_100000754969_100000184730 [0,1,0,1,0,0|1,1,0]=4 23463 B13R2.5225 Brc1ccccc1CN2CCC2 26a_100000754969_100000181306 [0,1,0,1,0,0|1,1,0]=4 23464 B13R2.5225 Brc1ccccc1NC2CCC2 34a_100000210017_100000749161 [0,1,0,1,0,0|1,1,0]=4 23465 B13R2.5225 Brc1ccccc1NC2COC2 34a_100000210017_100009818527 [0,1,0,1,0,0|1,1,0]=4 23466 B13R2.5225 Brc1ccccc1OC2CCC2 34a_100000181306_100000749161 [0,1,0,1,0,0|1,1,0]=4 23467 B13R2.5225 Brc1ccccc1OC2COC2 34a_100000181306_100009818527 [0,1,0,1,0,0|1,1,0]=4 23468 B13R2.5225 Brc1ccccc1OC2COC2 7a_100000181306_100009818527 [0,1,0,1,0,0|1,1,0]=4 23469 B13R2.5225 Brc1ccccc1SC2CCC2 62a_100000695589_100000749161 [0,1,0,1,0,0|1,1,0]=4 23470 B13R2.5225 Brc1ccccc1SC2COC2 62a_100000695589_100009818527 [0,1,0,1,0,0|1,1,0]=4 23471 B13R2.5225 Cc1ccccc1CN2CCC2 269982a_100000754969_100000211839 [0,1,0,1,0,0|2,0,0]=4 23472 B13R2.5225 Cc1ccccc1NC2CCC2 34a_100015192222_100000749161 [0,1,0,1,0,0|2,0,0]=4 23473 B13R2.5225 Cc1ccccc1NC2COC2 34a_100015192222_100009818527 [0,1,0,1,0,0|2,0,0]=4 23474 B13R2.5225 Cc1ccccc1OC2CCC2 34a_100000210338_100000749161 [0,1,0,1,0,0|2,0,0]=4 23475 B13R2.5225 Cc1ccccc1OC2COC2 34a_100000210338_100009818527 [0,1,0,1,0,0|2,0,0]=4 23476 B13R2.5225 Cc1ccccc1OC2COC2 7a_100000210338_100009818527 [0,1,0,1,0,0|2,0,0]=4 23477 B13R2.5225 Cc1ccccc1SC2CCC2 62a_100000210755_100000749161 [0,1,0,1,0,0|2,0,0]=4 23478 B13R2.5225 Cc1ccccc1SC2COC2 62a_100000210755_100009818527 [0,1,0,1,0,0|2,0,0]=4 23479 B13R2.5225 Clc1ccccc1CN2CCC2 269982a_100000754969_100000187162 [0,1,0,1,0,0|1,0,0]=3 23480 B13R2.5225 Clc1ccccc1CN2CCC2 26a_100000754969_100000210172 [0,1,0,1,0,0|1,0,0]=3 23481 B13R2.5225 Clc1ccccc1NC2CCC2 34a_100000185783_100000749161 [0,1,0,1,0,0|1,0,0]=3 23482 B13R2.5225 Clc1ccccc1NC2COC2 34a_100000185783_100009818527 [0,1,0,1,0,0|1,0,0]=3 23483 B13R2.5225 Clc1ccccc1OC2CCC2 34a_100000210172_100000749161 [0,1,0,1,0,0|1,0,0]=3 23484 B13R2.5225 Clc1ccccc1OC2COC2 34a_100000210172_100009818527 [0,1,0,1,0,0|1,0,0]=3 23485 B13R2.5225 Clc1ccccc1OC2COC2 7a_100000210172_100009818527 [0,1,0,1,0,0|1,0,0]=3 23486 B13R2.5225 Clc1ccccc1SC2CCC2 62a_100000764095_100000749161 [0,1,0,1,0,0|1,0,0]=3 23487 B13R2.5225 Clc1ccccc1SC2COC2 62a_100000764095_100009818527 [0,1,0,1,0,0|1,0,0]=3 23488 B13R2.5225 Clc1cccnc1CN2CCC2 269982a_100000754969_100000099807 [0,1,0,1,0,0|2,0,0]=4 23489 B13R2.5225 Clc1cccnc1OC2CCC2 34a_100011290957_100000749161 [0,1,0,1,0,0|2,0,0]=4 23490 B13R2.5225 Clc1cccnc1OC2COC2 34a_100011290957_100009818527 [0,1,0,1,0,0|2,0,0]=4 23491 B13R2.5225 Clc1cccnc1SC2CCC2 62a_100011356963_100000749161 [0,1,0,1,0,0|2,0,0]=4 23492 B13R2.5225 Clc1cccnc1SC2COC2 62a_100011356963_100009818527 [0,1,0,1,0,0|2,0,0]=4 23493 B13R2.5225 Clc1ccncc1OC2CCC2 34a_100011996695_100000749161 [0,1,0,1,0,0|2,0,0]=4 23494 B13R2.5225 Clc1ccncc1OC2COC2 34a_100011996695_100009818527 [0,1,0,1,0,0|2,0,0]=4 23495 B13R2.5225 Clc1ccncc1SC2CCC2 62a_100009995489_100000749161 [0,1,0,1,0,0|2,0,0]=4 23496 B13R2.5225 Clc1ccncc1SC2COC2 62a_100009995489_100009818527 [0,1,0,1,0,0|2,0,0]=4 23497 B13R2.5225 Clc1cnccc1CN2CCC2 269982a_100000754969_100000763264 [0,1,0,1,0,0|2,0,0]=4 23498 B13R2.5225 Clc1cnccc1OC2CCC2 34a_100011997054_100000749161 [0,1,0,1,0,0|2,0,0]=4 23499 B13R2.5225 Clc1cnccc1OC2COC2 34a_100011997054_100009818527 [0,1,0,1,0,0|2,0,0]=4 23500 B13R2.5225 Clc1cnccc1SC2CCC2 62a_100000708259_100000749161 [0,1,0,1,0,0|2,0,0]=4 23501 B13R2.5225 Clc1cnccc1SC2COC2 62a_100000708259_100009818527 [0,1,0,1,0,0|2,0,0]=4 23502 B13R2.5225 Clc1ncccc1CN2CCC2 269982a_100000754969_100000045678 [0,1,0,1,0,0|2,0,0]=4 23503 B13R2.5225 Clc1ncccc1OC2CCC2 34a_100000757616_100000749161 [0,1,0,1,0,0|2,0,0]=4 23504 B13R2.5225 Clc1ncccc1OC2COC2 34a_100000757616_100009818527 [0,1,0,1,0,0|2,0,0]=4 23505 B13R2.5225 Clc1ncccc1OC2COC2 7a_100000757616_100009818527 [0,1,0,1,0,0|2,0,0]=4 23506 B13R2.5225 Clc1ncccc1SC2CCC2 62a_100000036424_100000749161 [0,1,0,1,0,0|2,0,0]=4 23507 B13R2.5225 Clc1ncccc1SC2COC2 62a_100000036424_100009818527 [0,1,0,1,0,0|2,0,0]=4 23508 B13R2.5225 Fc1ccccc1CN2CCC2 269982a_100000754969_100000211605 [0,1,0,1,0,0|1,1,0]=4 23509 B13R2.5225 Fc1ccccc1NC2CCC2 34a_100000210422_100000749161 [0,1,0,1,0,0|1,1,0]=4 23510 B13R2.5225 Fc1ccccc1NC2COC2 34a_100000210422_100009818527 [0,1,0,1,0,0|1,1,0]=4 23511 B13R2.5225 Fc1ccccc1OC2CCC2 34a_100000210171_100000749161 [0,1,0,1,0,0|1,1,0]=4 23512 B13R2.5225 Fc1ccccc1OC2COC2 34a_100000210171_100009818527 [0,1,0,1,0,0|1,1,0]=4 23513 B13R2.5225 Fc1ccccc1OC2COC2 7a_100000210171_100009818527 [0,1,0,1,0,0|1,1,0]=4 23514 B13R2.5225 Fc1ccccc1SC2CCC2 62a_100011215700_100000749161 [0,1,0,1,0,0|1,1,0]=4 23515 B13R2.5225 Fc1ccccc1SC2COC2 62a_100011215700_100009818527 [0,1,0,1,0,0|1,1,0]=4 23516 B13R2.5225 Ic1ccccc1CN2CCC2 269982a_100000754969_100011215278 [0,1,0,1,0,0|1,1,0]=4 23517 B13R2.5225 Ic1ccccc1NC2CCC2 34a_100000210053_100000749161 [0,1,0,1,0,0|1,1,0]=4 23518 B13R2.5225 Ic1ccccc1NC2COC2 34a_100000210053_100009818527 [0,1,0,1,0,0|1,1,0]=4 23519 B13R2.5225 Ic1ccccc1OC2CCC2 34a_100000739446_100000749161 [0,1,0,1,0,0|1,1,0]=4 23520 B13R2.5225 Ic1ccccc1OC2COC2 34a_100000739446_100009818527 [0,1,0,1,0,0|1,1,0]=4 23521 B13R2.5225 Ic1ccccc1OC2COC2 7a_100000739446_100009818527 [0,1,0,1,0,0|1,1,0]=4 23522 B13R2.5225 Nc1ccccc1OC2CCC2 34a_100000185747_100000749161 [0,1,0,1,0,0|2,0,0]=4 23523 B13R2.5225 Nc1ccccc1OC2COC2 34a_100000185747_100009818527 [0,1,0,1,0,0|2,0,0]=4 23524 B13R2.5225 Nc1ccccc1OC2COC2 7a_100000185747_100009818527 [0,1,0,1,0,0|2,0,0]=4 23525 B13R2.5225 Nc1ccccc1SC2CCC2 62a_100000210017_100000749161 [0,1,0,1,0,0|2,0,0]=4 23526 B13R2.5225 Nc1ccccc1SC2COC2 62a_100000210017_100009818527 [0,1,0,1,0,0|2,0,0]=4 23527 B13R2.5225 Oc1ccccc1NC2CCC2 34a_100000185747_100000749161 [0,1,0,1,0,0|2,0,0]=4 23528 B13R2.5225 Oc1ccccc1NC2COC2 34a_100000185747_100009818527 [0,1,0,1,0,0|2,0,0]=4 23529 B13R2.5225 Oc1ccccc1SC2CCC2 62a_100000739446_100000749161 [0,1,0,1,0,0|2,0,0]=4 23530 B13R2.5225 Oc1ccccc1SC2COC2 62a_100000739446_100009818527 [0,1,0,1,0,0|2,0,0]=4 23531 B13R2.3097 C=C(c1ccccc1Cl)C2CC2 271570a_100010895485_100000764095 [0,1,0,1,0,0|1,0,1]=4 23532 B13R2.3097 CN(c1ccccc1Cl)C2CC2 269982a_100000219374_100000211595 [0,1,0,1,0,0|2,0,0]=4 23533 B13R2.3097 CN(c1ccccc1Cl)C2CC2 34a_100000219374_100000211595 [0,1,0,1,0,0|2,0,0]=4 23534 B13R2.103 CC1(Cc2ccccc2C1)N[13CH3] 2230a_100000706725_200025704644 [0,1,0,1,0,0|1,0,0]=3 23535 B13R2.103 CC1(Cc2ccccc2C1)N[13CH3] 34a_100000706725_200025704644 [0,1,0,1,0,0|1,0,0]=3 23536 B13R2.103 CNC1(Cc2ccccc2C1)C 2230a_100000706725_200000210301 [0,1,0,1,0,0|1,0,0]=3 23537 B13R2.103 CNC1(Cc2ccccc2C1)C 34a_100000706725_200000210301 [0,1,0,1,0,0|1,0,0]=3 23538 B13R2.15272 CNC(=O)C1Cc2c1cccc2 11a_106832991635_200000238571 [0,1,0,1,0,0|1,0,1]=4 23539 B13R2.15272 CNC(=O)C1Cc2c1cccc2 1626a_100102657272_200000238571 [0,1,0,1,0,0|1,0,1]=4 23540 B13R2.15272 CNC(=O)C1Cc2c1cccc2 240690a_100102657272_200000238571 [0,1,0,1,0,0|1,0,1]=4 23541 B13R2.15272 CNC(=O)C1Cc2c1cccc2 527a_100102657272_200000238571 [0,1,0,1,0,0|1,0,1]=4 23542 B13R2.175 Cc1ccc(c(c1)NC2CC2)Cl 34a_100011215360_100000211595 [0,1,0,1,0,0|2,0,0]=4 23543 B13R2.175 Cc1ccc(c(c1)OC2CC2)Cl 34a_100000211493_100000211595 [0,1,0,1,0,0|2,0,0]=4 23544 B13R2.175 Cc1ccc(c(c1)SC2CC2)Cl 62a_100012356289_100000211595 [0,1,0,1,0,0|2,0,0]=4 23545 B13R2.175 Clc1ccc(c(c1)NC2CC2)Cl 34a_100000184485_100000211595 [0,1,0,1,0,0|2,0,0]=4 23546 B13R2.175 Clc1ccc(c(c1)OC2CC2)Cl 34a_100000211422_100000211595 [0,1,0,1,0,0|2,0,0]=4 23547 B13R2.175 Clc1ccc(c(c1)SC2CC2)Cl 62a_100000707729_100000211595 [0,1,0,1,0,0|2,0,0]=4 23548 B13R2.175 Clc1ccc(cc1NC2CC2)Br 34a_100000750497_100000211595 [0,1,0,1,0,0|2,0,0]=4 23549 B13R2.175 Clc1ccc(cc1NC2CC2)I 34a_200000761891_100000211595 [0,1,0,1,0,0|2,0,0]=4 23550 B13R2.175 Clc1ccc(cc1OC2CC2)Br 34a_100000738945_100000211595 [0,1,0,1,0,0|2,0,0]=4 23551 B13R2.175 Clc1ccc(cc1OC2CC2)I 34a_100011356854_100000211595 [0,1,0,1,0,0|2,0,0]=4 23552 B13R2.175 Clc1ccc(cc1SC2CC2)Br 62a_100011772130_100000211595 [0,1,0,1,0,0|2,0,0]=4 23553 B13R2.175 Fc1ccc(c(c1)NC2CC2)Cl 34a_100000751338_100000211595 [0,1,0,1,0,0|2,0,0]=4 23554 B13R2.175 Fc1ccc(c(c1)OC2CC2)Cl 34a_100000692107_100000211595 [0,1,0,1,0,0|2,0,0]=4 23555 B13R2.175 Fc1ccc(c(c1)SC2CC2)Cl 62a_100011217299_100000211595 [0,1,0,1,0,0|2,0,0]=4 23556 B13R2.175 Nc1ccc(c(c1)OC2CC2)Cl 34a_100011934209_100000211595 [0,1,0,1,0,0|2,0,0]=4 23557 B13R2.175 Nc1ccc(c(c1)SC2CC2)Cl 62a_100012360549_100000211595 [0,1,0,1,0,0|2,0,0]=4 23558 B13R2.175 Oc1ccc(c(c1)NC2CC2)Cl 34a_100011934297_100000211595 [0,1,0,1,0,0|2,0,0]=4 23559 B13R2.175 Oc1ccc(c(c1)SC2CC2)Cl 62a_100000049588_100000211595 [0,1,0,1,0,0|2,0,0]=4 23560 B13R2.371 Nc1ccc(c2c1CNCC2)O 271570a_203496583355_200012351874 [0,1,0,1,0,0|1,0,0]=3 23561 B13R2.3683 CC1CCc2cc(ccc2N1)O 271570a_203496583355_100010333662 [0,1,0,1,0,0|2,0,0]=4 23562 B13R2.3683 CN1CCc2cc(ccc2C1)Br 2230a_100000686056_200000210301 [0,1,0,1,0,0|1,0,0]=3 23563 B13R2.3683 CN1CCc2cc(ccc2C1)Br 269982a_100000686056_200000210301 [0,1,0,1,0,0|1,0,0]=3 23564 B13R2.3683 CN1CCc2cc(ccc2C1)Br 34a_100000686056_200000210301 [0,1,0,1,0,0|1,0,0]=3 23565 B13R2.3683 CN1CCc2cc(ccc2C1)Cl 2230a_100011273784_200000210301 [0,1,0,1,0,0|1,0,0]=3 23566 B13R2.3683 CN1CCc2cc(ccc2C1)Cl 269982a_100011273784_200000210301 [0,1,0,1,0,0|1,0,0]=3 23567 B13R2.3683 CN1CCc2cc(ccc2C1)Cl 34a_100011273784_200000210301 [0,1,0,1,0,0|1,0,0]=3 23568 B13R2.3683 CN1CCc2cc(ccc2C1)F 2230a_100011273785_200000210301 [0,1,0,1,0,0|1,0,0]=3 23569 B13R2.3683 CN1CCc2cc(ccc2C1)F 269982a_100011273785_200000210301 [0,1,0,1,0,0|1,0,0]=3 23570 B13R2.3683 CN1CCc2cc(ccc2C1)F 34a_100011273785_200000210301 [0,1,0,1,0,0|1,0,0]=3 23571 B13R2.3683 CN1CCc2cc(ccc2C1)O 2230a_100000077532_200000210301 [0,1,0,1,0,0|1,0,0]=3 23572 B13R2.3683 CN1CCc2cc(ccc2C1)O 269982a_100000077532_200000210301 [0,1,0,1,0,0|1,0,0]=3 23573 B13R2.3683 CN1CCc2cc(ccc2C1)O 34a_100000077532_200000210301 [0,1,0,1,0,0|1,0,0]=3 23574 B13R2.3683 CN1CCc2nc(ccc2C1)Cl 2230a_100015190003_200000210301 [0,1,0,1,0,0|2,0,0]=4 23575 B13R2.3683 CN1CCc2nc(ccc2C1)Cl 269982a_100015190003_200000210301 [0,1,0,1,0,0|2,0,0]=4 23576 B13R2.3683 CN1CCc2nc(ccc2C1)Cl 34a_100015190003_200000210301 [0,1,0,1,0,0|2,0,0]=4 23577 B13R2.3683 Cc1ccc2c(c1)CCN(C2)C 2230a_100000718575_200000210301 [0,1,0,1,0,0|1,0,0]=3 23578 B13R2.3683 Cc1ccc2c(c1)CCN(C2)C 269982a_100000718575_200000210301 [0,1,0,1,0,0|1,0,0]=3 23579 B13R2.3683 Cc1ccc2c(c1)CCN(C2)C 34a_100000718575_200000210301 [0,1,0,1,0,0|1,0,0]=3 23580 B13R2.3683 Cc1ccc2c(c1)CCN(C2)[13CH3] 2230a_100000718575_200025704644 [0,1,0,1,0,0|1,0,0]=3 23581 B13R2.3683 Cc1ccc2c(c1)CCN(C2)[13CH3] 269982a_100000718575_200025704644 [0,1,0,1,0,0|1,0,0]=3 23582 B13R2.3683 Cc1ccc2c(c1)CCN(C2)[13CH3] 34a_100000718575_200025704644 [0,1,0,1,0,0|1,0,0]=3 23583 B13R2.3683 [13CH3]N1CCc2cc(ccc2C1)Br 2230a_100000686056_200025704644 [0,1,0,1,0,0|1,0,0]=3 23584 B13R2.3683 [13CH3]N1CCc2cc(ccc2C1)Br 269982a_100000686056_200025704644 [0,1,0,1,0,0|1,0,0]=3 23585 B13R2.3683 [13CH3]N1CCc2cc(ccc2C1)Br 34a_100000686056_200025704644 [0,1,0,1,0,0|1,0,0]=3 23586 B13R2.3683 [13CH3]N1CCc2cc(ccc2C1)Cl 2230a_100011273784_200025704644 [0,1,0,1,0,0|1,0,0]=3 23587 B13R2.3683 [13CH3]N1CCc2cc(ccc2C1)Cl 269982a_100011273784_200025704644 [0,1,0,1,0,0|1,0,0]=3 23588 B13R2.3683 [13CH3]N1CCc2cc(ccc2C1)Cl 34a_100011273784_200025704644 [0,1,0,1,0,0|1,0,0]=3 23589 B13R2.3683 [13CH3]N1CCc2cc(ccc2C1)F 2230a_100011273785_200025704644 [0,1,0,1,0,0|1,0,0]=3 23590 B13R2.3683 [13CH3]N1CCc2cc(ccc2C1)F 269982a_100011273785_200025704644 [0,1,0,1,0,0|1,0,0]=3 23591 B13R2.3683 [13CH3]N1CCc2cc(ccc2C1)F 34a_100011273785_200025704644 [0,1,0,1,0,0|1,0,0]=3 23592 B13R2.3683 [13CH3]N1CCc2cc(ccc2C1)O 2230a_100000077532_200025704644 [0,1,0,1,0,0|1,0,0]=3 23593 B13R2.3683 [13CH3]N1CCc2cc(ccc2C1)O 269982a_100000077532_200025704644 [0,1,0,1,0,0|1,0,0]=3 23594 B13R2.3683 [13CH3]N1CCc2cc(ccc2C1)O 34a_100000077532_200025704644 [0,1,0,1,0,0|1,0,0]=3 23595 B13R2.3683 [13CH3]N1CCc2nc(ccc2C1)Cl 2230a_100015190003_200025704644 [0,1,0,1,0,0|2,0,0]=4 23596 B13R2.3683 [13CH3]N1CCc2nc(ccc2C1)Cl 269982a_100015190003_200025704644 [0,1,0,1,0,0|2,0,0]=4 23597 B13R2.3683 [13CH3]N1CCc2nc(ccc2C1)Cl 34a_100015190003_200025704644 [0,1,0,1,0,0|2,0,0]=4 23598 B13R2.402 Cc1cccc(c1NC2CC2)Cl 34a_100000756524_100000211595 [0,1,0,1,0,0|2,0,0]=4 23599 B13R2.402 Cc1cccc(c1OC2CC2)Cl 34a_100000033731_100000211595 [0,1,0,1,0,0|2,0,0]=4 23600 B13R2.402 Cc1cccc(c1SC2CC2)Cl 62a_100000043165_100000211595 [0,1,0,1,0,0|2,0,0]=4 23601 B13R2.402 Clc1cccc(c1NC2CC2)Br 34a_100102946385_100000211595 [0,1,0,1,0,0|2,0,0]=4 23602 B13R2.402 Clc1cccc(c1NC2CC2)Cl 34a_100000210028_100000211595 [0,1,0,1,0,0|2,0,0]=4 23603 B13R2.402 Clc1cccc(c1OC2CC2)Br 34a_100010214474_100000211595 [0,1,0,1,0,0|2,0,0]=4 23604 B13R2.402 Clc1cccc(c1OC2CC2)Cl 34a_100000211709_100000211595 [0,1,0,1,0,0|2,0,0]=4 23605 B13R2.402 Clc1cccc(c1OC2CC2)I 34a_100010202889_100000211595 [0,1,0,1,0,0|2,0,0]=4 23606 B13R2.402 Clc1cccc(c1SC2CC2)Br 62a_100010214488_100000211595 [0,1,0,1,0,0|2,0,0]=4 23607 B13R2.402 Clc1cccc(c1SC2CC2)Cl 62a_100000034237_100000211595 [0,1,0,1,0,0|2,0,0]=4 23608 B13R2.402 Fc1cccc(c1NC2CC2)Cl 34a_100000760031_100000211595 [0,1,0,1,0,0|2,0,0]=4 23609 B13R2.402 Fc1cccc(c1OC2CC2)Cl 34a_100000694953_100000211595 [0,1,0,1,0,0|2,0,0]=4 23610 B13R2.402 Fc1cccc(c1SC2CC2)Cl 62a_100000050007_100000211595 [0,1,0,1,0,0|2,0,0]=4 23611 B13R2.402 Nc1cccc(c1OC2CC2)Cl 34a_100000754742_100000211595 [0,1,0,1,0,0|2,0,0]=4 23612 B13R2.402 Nc1cccc(c1SC2CC2)Cl 62a_100000049713_100000211595 [0,1,0,1,0,0|2,0,0]=4 23613 B13R2.402 Oc1cccc(c1NC2CC2)Cl 34a_100012022510_100000211595 [0,1,0,1,0,0|2,0,0]=4 23614 B9R1.33 CNCc1cccn1C 270004a_106832991635_100000211633 [1,0,0,0,1,0|2,0,0]=4 23615 B9R1.33 CNCc1cccn1C 34a_100011219357_200000210301 [1,0,0,0,1,0|2,0,0]=4 23616 B9R1.33 CNCc1ccsc1Br 207a_100102657272_100009816921 [1,0,0,0,1,0|1,1,0]=4 23617 B9R1.33 CNCc1ccsc1Br 2230a_100000727803_200000210301 [1,0,0,0,1,0|1,1,0]=4 23618 B9R1.33 CNCc1ccsc1Br 2230a_106832991635_100009814289 [1,0,0,0,1,0|1,1,0]=4 23619 B9R1.33 CNCc1ccsc1Br 270004a_106832991635_100009816921 [1,0,0,0,1,0|1,1,0]=4 23620 B9R1.33 CNCc1ccsc1Br 34a_100000727803_200000210301 [1,0,0,0,1,0|1,1,0]=4 23621 B9R1.33 CNCc1ccsc1Br 34a_100102657272_100009814289 [1,0,0,0,1,0|1,1,0]=4 23622 B9R1.33 CNCc1ccsc1Br 7a_106832991635_100009814289 [1,0,0,0,1,0|1,1,0]=4 23623 B9R1.33 CNCc1ccsc1Cl 207a_100102657272_100000089901 [1,0,0,0,1,0|1,0,0]=3 23624 B9R1.33 CNCc1ccsc1Cl 2230a_106832991635_100010167017 [1,0,0,0,1,0|1,0,0]=3 23625 B9R1.33 CNCc1ccsc1Cl 270004a_106832991635_100000089901 [1,0,0,0,1,0|1,0,0]=3 23626 B9R1.33 CNCc1ccsc1Cl 34a_100102657272_100010167017 [1,0,0,0,1,0|1,0,0]=3 23627 B9R1.33 CNCc1ccsc1Cl 7a_106832991635_100010167017 [1,0,0,0,1,0|1,0,0]=3 23628 B9R1.33 CNCc1ccsc1O 271570a_203496583355_100009817074 [1,0,0,0,1,0|2,0,0]=4 23629 B9R1.33 CNCc1cscc1Br 207a_100102657272_100000685484 [1,0,0,0,1,0|1,1,0]=4 23630 B9R1.33 CNCc1cscc1Br 270004a_106832991635_100000685484 [1,0,0,0,1,0|1,1,0]=4 23631 B9R1.33 CNCc1cscc1O 271570a_203496583355_100011935083 [1,0,0,0,1,0|2,0,0]=4 23632 B9R1.33 CNCc1n[nH]cc1Cl 207a_100102657272_100000040271 [1,0,0,0,1,0|2,0,0]=4 23633 B9R1.33 CNCc1n[nH]cc1Cl 270004a_106832991635_100000040271 [1,0,0,0,1,0|2,0,0]=4 23634 B9R1.33 CNCc1occc1Br 270004a_106832991635_100000756499 [1,0,0,0,1,0|1,1,0]=4 23635 B9R1.33 CNCc1occc1C 207a_100102657272_100000763527 [1,0,0,0,1,0|2,0,0]=4 23636 B9R1.33 CNCc1occc1C 270004a_106832991635_100000763527 [1,0,0,0,1,0|2,0,0]=4 23637 B9R1.33 CNCc1sccc1Br 207a_100102657272_100000766043 [1,0,0,0,1,0|1,1,0]=4 23638 B9R1.33 CNCc1sccc1Br 270004a_106832991635_100000766043 [1,0,0,0,1,0|1,1,0]=4 23639 B9R1.33 CNCc1sccc1C 207a_100102657272_100000210881 [1,0,0,0,1,0|2,0,0]=4 23640 B9R1.33 CNCc1sccc1C 2230a_100000238519_200000210301 [1,0,0,0,1,0|2,0,0]=4 23641 B9R1.33 CNCc1sccc1C 270004a_106832991635_100000210881 [1,0,0,0,1,0|2,0,0]=4 23642 B9R1.33 CNCc1sccc1C 34a_100000238519_200000210301 [1,0,0,0,1,0|2,0,0]=4 23643 B9R1.33 CNCc1sccc1Cl 207a_100102657272_100000722334 [1,0,0,0,1,0|1,0,0]=3 23644 B9R1.33 CNCc1sccc1Cl 2230a_100011934584_200000210301 [1,0,0,0,1,0|1,0,0]=3 23645 B9R1.33 CNCc1sccc1Cl 270004a_106832991635_100000722334 [1,0,0,0,1,0|1,0,0]=3 23646 B9R1.33 CNCc1sccc1Cl 34a_100011934584_200000210301 [1,0,0,0,1,0|1,0,0]=3 23647 B9R1.33 CNCc1sccc1O 271570a_203496583355_100000767120 [1,0,0,0,1,0|2,0,0]=4 23648 B9R1.33 COCc1ccsc1Cl 34a_100138415774_100010167017 [1,0,0,0,1,0|2,0,0]=4 23649 B9R1.33 COCc1sccc1Cl 34a_100000722387_200000210301 [1,0,0,0,1,0|2,0,0]=4 23650 B9R1.33 COCc1sccc1Cl 7a_100000722387_200000210301 [1,0,0,0,1,0|2,0,0]=4 23651 B9R1.33 CSCc1ccsc1Cl 62a_100010167017_200000210301 [1,0,0,0,1,0|2,0,0]=4 23652 B9R1.33 CSCc1ccsc1Cl 62a_200000210301_100010167017 [1,0,0,0,1,0|2,0,0]=4 23653 B9R1.33 Cc1ccsc1CN[13CH3] 2230a_100000238519_200025704644 [1,0,0,0,1,0|2,0,0]=4 23654 B9R1.33 Cc1ccsc1CN[13CH3] 34a_100000238519_200025704644 [1,0,0,0,1,0|2,0,0]=4 23655 B9R1.33 Cn1cccc1CN[13CH3] 34a_100011219357_200025704644 [1,0,0,0,1,0|2,0,0]=4 23656 B9R1.33 [13CH3]NCc1ccsc1Br 2230a_100000727803_200025704644 [1,0,0,0,1,0|1,1,0]=4 23657 B9R1.33 [13CH3]NCc1ccsc1Br 34a_100000727803_200025704644 [1,0,0,0,1,0|1,1,0]=4 23658 B9R1.33 [13CH3]NCc1sccc1Cl 2230a_100011934584_200025704644 [1,0,0,0,1,0|1,0,0]=3 23659 B9R1.33 [13CH3]NCc1sccc1Cl 34a_100011934584_200025704644 [1,0,0,0,1,0|1,0,0]=3 23660 B9R1.33 [13CH3]OCc1sccc1Cl 34a_100000722387_200025704644 [1,0,0,0,1,0|2,0,0]=4 23661 B9R1.33 [13CH3]OCc1sccc1Cl 7a_100000722387_200025704644 [1,0,0,0,1,0|2,0,0]=4 23662 B9R1.33 [13CH3]SCc1ccsc1Cl 62a_100010167017_200025704644 [1,0,0,0,1,0|2,0,0]=4 23663 B9R1.33 [13CH3]SCc1ccsc1Cl 62a_200025704644_100010167017 [1,0,0,0,1,0|2,0,0]=4 23664 B9R1.12 CCCCc1ccco1 271570a_100020621405_100009814098 [1,0,0,0,1,0|2,0,0]=4 23665 B9R1.12 CCCCc1cccs1 271570a_100020621405_100011215356 [1,0,0,0,1,0|2,0,0]=4 23666 B9R1.12 CCCCc1ccoc1 271570a_100020621405_100011215275 [1,0,0,0,1,0|2,0,0]=4 23667 B9R1.12 CCCCc1ccsc1 271570a_100020621405_100000738268 [1,0,0,0,1,0|2,0,0]=4 23668 B9R1.12 CNCCc1c[nH]cn1 2230a_106832991635_100020628418 [1,0,0,0,1,0|2,0,0]=4 23669 B9R1.12 CNCCc1c[nH]cn1 7a_106832991635_100020628418 [1,0,0,0,1,0|2,0,0]=4 23670 B9R1.12 CNCCc1ccco1 2230a_100000694680_200000210301 [1,0,0,0,1,0|1,0,0]=3 23671 B9R1.12 CNCCc1ccco1 34a_100000694680_200000210301 [1,0,0,0,1,0|1,0,0]=3 23672 B9R1.12 CNCCc1cccs1 2230a_100000203755_200000210301 [1,0,0,0,1,0|1,0,0]=3 23673 B9R1.12 CNCCc1cccs1 2230a_106832991635_100000748579 [1,0,0,0,1,0|1,0,0]=3 23674 B9R1.12 CNCCc1cccs1 34a_100000203755_200000210301 [1,0,0,0,1,0|1,0,0]=3 23675 B9R1.12 CNCCc1cccs1 34a_100102657272_100000748579 [1,0,0,0,1,0|1,0,0]=3 23676 B9R1.12 CNCCc1cccs1 7a_106832991635_100000748579 [1,0,0,0,1,0|1,0,0]=3 23677 B9R1.12 CNCCc1ccsc1 2230a_100000692642_200000210301 [1,0,0,0,1,0|1,0,0]=3 23678 B9R1.12 CNCCc1ccsc1 34a_100000692642_200000210301 [1,0,0,0,1,0|1,0,0]=3 23679 B9R1.12 CNCCc1cn[nH]c1 2230a_100000732747_200000210301 [1,0,0,0,1,0|2,0,0]=4 23680 B9R1.12 CNCCc1cn[nH]c1 2230a_106832991635_100000743252 [1,0,0,0,1,0|2,0,0]=4 23681 B9R1.12 CNCCc1cn[nH]c1 7a_106832991635_100000743252 [1,0,0,0,1,0|2,0,0]=4 23682 B9R1.12 CNCCc1cncs1 2230a_100016991637_200000210301 [1,0,0,0,1,0|2,0,0]=4 23683 B9R1.12 CNCCc1nccs1 2230a_100015186391_200000210301 [1,0,0,0,1,0|2,0,0]=4 23684 B9R1.12 CNCCn1cccc1 2230a_106832991635_200009811947 [1,0,0,0,1,0|1,0,0]=3 23685 B9R1.12 CNCCn1cccc1 34a_100011368172_200000210301 [1,0,0,0,1,0|1,0,0]=3 23686 B9R1.12 CNCCn1cccc1 7a_106832991635_200000035178 [1,0,0,0,1,0|1,0,0]=3 23687 B9R1.12 CNCCn1cccn1 2230a_100011200920_200000210301 [1,0,0,0,1,0|2,0,0]=4 23688 B9R1.12 CNCCn1cccn1 2230a_106832991635_100000685285 [1,0,0,0,1,0|2,0,0]=4 23689 B9R1.12 CNCCn1cccn1 34a_100102657272_100015204718 [1,0,0,0,1,0|2,0,0]=4 23690 B9R1.12 CNCCn1cccn1 7a_106832991635_100000685285 [1,0,0,0,1,0|2,0,0]=4 23691 B9R1.12 CNCCn1ccnc1 7a_106832991635_100000702546 [1,0,0,0,1,0|2,0,0]=4 23692 B9R1.12 COCCc1cccs1 34a_100011216825_200000210301 [1,0,0,0,1,0|2,0,0]=4 23693 B9R1.12 COCCc1cccs1 34a_100138415774_100000748579 [1,0,0,0,1,0|2,0,0]=4 23694 B9R1.12 COCCc1cccs1 7a_100011216825_200000210301 [1,0,0,0,1,0|2,0,0]=4 23695 B9R1.12 COCCc1ccsc1 34a_100000748821_200000210301 [1,0,0,0,1,0|2,0,0]=4 23696 B9R1.12 COCCn1cccc1 34a_100000179382_200000210301 [1,0,0,0,1,0|2,0,0]=4 23697 B9R1.12 CSCCc1cccs1 62a_100000748579_200000210301 [1,0,0,0,1,0|2,0,0]=4 23698 B9R1.12 CSCCc1cccs1 62a_200000210301_100000748579 [1,0,0,0,1,0|2,0,0]=4 23699 B9R1.12 CSCCn1cccc1 62a_200000210301_200000035178 [1,0,0,0,1,0|2,0,0]=4 23700 B9R1.12 CSCCn1cccc1 62a_200009811947_200000210301 [1,0,0,0,1,0|2,0,0]=4 23701 B9R1.12 [13CH3]NCCc1ccco1 2230a_100000694680_200025704644 [1,0,0,0,1,0|1,0,0]=3 23702 B9R1.12 [13CH3]NCCc1ccco1 34a_100000694680_200025704644 [1,0,0,0,1,0|1,0,0]=3 23703 B9R1.12 [13CH3]NCCc1cccs1 2230a_100000203755_200025704644 [1,0,0,0,1,0|1,0,0]=3 23704 B9R1.12 [13CH3]NCCc1cccs1 34a_100000203755_200025704644 [1,0,0,0,1,0|1,0,0]=3 23705 B9R1.12 [13CH3]NCCc1ccsc1 2230a_100000692642_200025704644 [1,0,0,0,1,0|1,0,0]=3 23706 B9R1.12 [13CH3]NCCc1ccsc1 34a_100000692642_200025704644 [1,0,0,0,1,0|1,0,0]=3 23707 B9R1.12 [13CH3]NCCc1cn[nH]c1 2230a_100000732747_200025704644 [1,0,0,0,1,0|2,0,0]=4 23708 B9R1.12 [13CH3]NCCc1cncs1 2230a_100016991637_200025704644 [1,0,0,0,1,0|2,0,0]=4 23709 B9R1.12 [13CH3]NCCc1nccs1 2230a_100015186391_200025704644 [1,0,0,0,1,0|2,0,0]=4 23710 B9R1.12 [13CH3]NCCn1cccc1 34a_100011368172_200025704644 [1,0,0,0,1,0|1,0,0]=3 23711 B9R1.12 [13CH3]NCCn1cccn1 2230a_100011200920_200025704644 [1,0,0,0,1,0|2,0,0]=4 23712 B9R1.12 [13CH3]OCCc1cccs1 34a_100011216825_200025704644 [1,0,0,0,1,0|2,0,0]=4 23713 B9R1.12 [13CH3]OCCc1cccs1 7a_100011216825_200025704644 [1,0,0,0,1,0|2,0,0]=4 23714 B9R1.12 [13CH3]OCCc1ccsc1 34a_100000748821_200025704644 [1,0,0,0,1,0|2,0,0]=4 23715 B9R1.12 [13CH3]OCCn1cccc1 34a_100000179382_200025704644 [1,0,0,0,1,0|2,0,0]=4 23716 B9R1.12 [13CH3]SCCc1cccs1 62a_100000748579_200025704644 [1,0,0,0,1,0|2,0,0]=4 23717 B9R1.12 [13CH3]SCCc1cccs1 62a_200025704644_100000748579 [1,0,0,0,1,0|2,0,0]=4 23718 B9R1.12 [13CH3]SCCn1cccc1 62a_200009811947_200025704644 [1,0,0,0,1,0|2,0,0]=4 23719 B9R1.12 [13CH3]SCCn1cccc1 62a_200025704644_200000035178 [1,0,0,0,1,0|2,0,0]=4